data_4X90 # _entry.id 4X90 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.285 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4X90 WWPDB D_1000205001 # loop_ _pdbx_database_related.content_type _pdbx_database_related.db_id _pdbx_database_related.db_name _pdbx_database_related.details unspecified 4X91 PDB . unspecified 4X92 PDB . unspecified 4X93 PDB . unspecified 4X94 PDB . unspecified 4X95 PDB . unspecified 4X96 PDB . unspecified 4X97 PDB . # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 4X90 _pdbx_database_status.recvd_initial_deposition_date 2014-12-11 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Glukhova, A.' 1 'Tesmer, J.J.G.' 2 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country UK _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'Nat Commun' _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 2041-1723 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 6 _citation.language ? _citation.page_first 6250 _citation.page_last 6250 _citation.title 'Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase.' _citation.year 2015 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1038/ncomms7250 _citation.pdbx_database_id_PubMed 25727495 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Glukhova, A.' 1 primary 'Hinkovska-Galcheva, V.' 2 primary 'Kelly, R.' 3 primary 'Abe, A.' 4 primary 'Shayman, J.A.' 5 primary 'Tesmer, J.J.' 6 # _cell.angle_alpha 78.130 _cell.angle_alpha_esd ? _cell.angle_beta 88.460 _cell.angle_beta_esd ? _cell.angle_gamma 88.500 _cell.angle_gamma_esd ? _cell.entry_id 4X90 _cell.details ? _cell.formula_units_Z ? _cell.length_a 62.806 _cell.length_a_esd ? _cell.length_b 91.151 _cell.length_b_esd ? _cell.length_c 100.266 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 4 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 4X90 _symmetry.cell_setting ? _symmetry.Int_Tables_number 1 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 1' _symmetry.pdbx_full_space_group_name_H-M ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Group XV phospholipase A2' 43121.027 4 2.3.1.- ? 'UNP residues 34-412' ? 2 non-polymer syn N-ACETYL-D-GLUCOSAMINE 221.208 16 ? ? ? ? 3 non-polymer syn '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' 238.305 4 ? ? ? ? 4 non-polymer syn 'CHLORIDE ION' 35.453 4 ? ? ? ? 5 non-polymer syn 'PHOSPHATE ION' 94.971 4 ? ? ? ? 6 non-polymer syn '(4S)-2-METHYL-2,4-PENTANEDIOL' 118.174 14 ? ? ? ? 7 water nat water 18.015 1065 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name '1-O-acylceramide synthase,ACS,LCAT-like lysophospholipase,LLPL,Lysophospholipase 3,Lysosomal phospholipase A2,LPLA2' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;GAGRHPPVVLVPGDLGNQLEAKLDKPTVVHYLCSKKTESYFTIWLNLELLLPVIIDCWIDNIRLVYNKTSRATQFPDGVD VRVPGFGKTFSLEFLDPSKSSVGSYFHTMVESLVGWGYTRGEDVRGAPYDWRRAPNENGPYFLALREMIEEMYQLYGGPV VLVAHSMGNMYTLYFLQRQPQAWKDKYIRAFVSLGAPWGGVAKTLRVLASGDNNRIPVIGPLKIREQQRSAVSTSWLLPY NYTWSPEKVFVQTPTINYTLRDYRKFFQDIGFEDGWLMRQDTEGLVEATMPPGVQLHCLYGTGVPTPDSFYYESFPDRDP KICFGDGDGTVNLKSALQCQAWQSRQEHQVLLQELPGSEHIEMLANATTLAYLKRVLLGP ; _entity_poly.pdbx_seq_one_letter_code_can ;GAGRHPPVVLVPGDLGNQLEAKLDKPTVVHYLCSKKTESYFTIWLNLELLLPVIIDCWIDNIRLVYNKTSRATQFPDGVD VRVPGFGKTFSLEFLDPSKSSVGSYFHTMVESLVGWGYTRGEDVRGAPYDWRRAPNENGPYFLALREMIEEMYQLYGGPV VLVAHSMGNMYTLYFLQRQPQAWKDKYIRAFVSLGAPWGGVAKTLRVLASGDNNRIPVIGPLKIREQQRSAVSTSWLLPY NYTWSPEKVFVQTPTINYTLRDYRKFFQDIGFEDGWLMRQDTEGLVEATMPPGVQLHCLYGTGVPTPDSFYYESFPDRDP KICFGDGDGTVNLKSALQCQAWQSRQEHQVLLQELPGSEHIEMLANATTLAYLKRVLLGP ; _entity_poly.pdbx_strand_id A,B,C,D _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLY n 1 2 ALA n 1 3 GLY n 1 4 ARG n 1 5 HIS n 1 6 PRO n 1 7 PRO n 1 8 VAL n 1 9 VAL n 1 10 LEU n 1 11 VAL n 1 12 PRO n 1 13 GLY n 1 14 ASP n 1 15 LEU n 1 16 GLY n 1 17 ASN n 1 18 GLN n 1 19 LEU n 1 20 GLU n 1 21 ALA n 1 22 LYS n 1 23 LEU n 1 24 ASP n 1 25 LYS n 1 26 PRO n 1 27 THR n 1 28 VAL n 1 29 VAL n 1 30 HIS n 1 31 TYR n 1 32 LEU n 1 33 CYS n 1 34 SER n 1 35 LYS n 1 36 LYS n 1 37 THR n 1 38 GLU n 1 39 SER n 1 40 TYR n 1 41 PHE n 1 42 THR n 1 43 ILE n 1 44 TRP n 1 45 LEU n 1 46 ASN n 1 47 LEU n 1 48 GLU n 1 49 LEU n 1 50 LEU n 1 51 LEU n 1 52 PRO n 1 53 VAL n 1 54 ILE n 1 55 ILE n 1 56 ASP n 1 57 CYS n 1 58 TRP n 1 59 ILE n 1 60 ASP n 1 61 ASN n 1 62 ILE n 1 63 ARG n 1 64 LEU n 1 65 VAL n 1 66 TYR n 1 67 ASN n 1 68 LYS n 1 69 THR n 1 70 SER n 1 71 ARG n 1 72 ALA n 1 73 THR n 1 74 GLN n 1 75 PHE n 1 76 PRO n 1 77 ASP n 1 78 GLY n 1 79 VAL n 1 80 ASP n 1 81 VAL n 1 82 ARG n 1 83 VAL n 1 84 PRO n 1 85 GLY n 1 86 PHE n 1 87 GLY n 1 88 LYS n 1 89 THR n 1 90 PHE n 1 91 SER n 1 92 LEU n 1 93 GLU n 1 94 PHE n 1 95 LEU n 1 96 ASP n 1 97 PRO n 1 98 SER n 1 99 LYS n 1 100 SER n 1 101 SER n 1 102 VAL n 1 103 GLY n 1 104 SER n 1 105 TYR n 1 106 PHE n 1 107 HIS n 1 108 THR n 1 109 MET n 1 110 VAL n 1 111 GLU n 1 112 SER n 1 113 LEU n 1 114 VAL n 1 115 GLY n 1 116 TRP n 1 117 GLY n 1 118 TYR n 1 119 THR n 1 120 ARG n 1 121 GLY n 1 122 GLU n 1 123 ASP n 1 124 VAL n 1 125 ARG n 1 126 GLY n 1 127 ALA n 1 128 PRO n 1 129 TYR n 1 130 ASP n 1 131 TRP n 1 132 ARG n 1 133 ARG n 1 134 ALA n 1 135 PRO n 1 136 ASN n 1 137 GLU n 1 138 ASN n 1 139 GLY n 1 140 PRO n 1 141 TYR n 1 142 PHE n 1 143 LEU n 1 144 ALA n 1 145 LEU n 1 146 ARG n 1 147 GLU n 1 148 MET n 1 149 ILE n 1 150 GLU n 1 151 GLU n 1 152 MET n 1 153 TYR n 1 154 GLN n 1 155 LEU n 1 156 TYR n 1 157 GLY n 1 158 GLY n 1 159 PRO n 1 160 VAL n 1 161 VAL n 1 162 LEU n 1 163 VAL n 1 164 ALA n 1 165 HIS n 1 166 SER n 1 167 MET n 1 168 GLY n 1 169 ASN n 1 170 MET n 1 171 TYR n 1 172 THR n 1 173 LEU n 1 174 TYR n 1 175 PHE n 1 176 LEU n 1 177 GLN n 1 178 ARG n 1 179 GLN n 1 180 PRO n 1 181 GLN n 1 182 ALA n 1 183 TRP n 1 184 LYS n 1 185 ASP n 1 186 LYS n 1 187 TYR n 1 188 ILE n 1 189 ARG n 1 190 ALA n 1 191 PHE n 1 192 VAL n 1 193 SER n 1 194 LEU n 1 195 GLY n 1 196 ALA n 1 197 PRO n 1 198 TRP n 1 199 GLY n 1 200 GLY n 1 201 VAL n 1 202 ALA n 1 203 LYS n 1 204 THR n 1 205 LEU n 1 206 ARG n 1 207 VAL n 1 208 LEU n 1 209 ALA n 1 210 SER n 1 211 GLY n 1 212 ASP n 1 213 ASN n 1 214 ASN n 1 215 ARG n 1 216 ILE n 1 217 PRO n 1 218 VAL n 1 219 ILE n 1 220 GLY n 1 221 PRO n 1 222 LEU n 1 223 LYS n 1 224 ILE n 1 225 ARG n 1 226 GLU n 1 227 GLN n 1 228 GLN n 1 229 ARG n 1 230 SER n 1 231 ALA n 1 232 VAL n 1 233 SER n 1 234 THR n 1 235 SER n 1 236 TRP n 1 237 LEU n 1 238 LEU n 1 239 PRO n 1 240 TYR n 1 241 ASN n 1 242 TYR n 1 243 THR n 1 244 TRP n 1 245 SER n 1 246 PRO n 1 247 GLU n 1 248 LYS n 1 249 VAL n 1 250 PHE n 1 251 VAL n 1 252 GLN n 1 253 THR n 1 254 PRO n 1 255 THR n 1 256 ILE n 1 257 ASN n 1 258 TYR n 1 259 THR n 1 260 LEU n 1 261 ARG n 1 262 ASP n 1 263 TYR n 1 264 ARG n 1 265 LYS n 1 266 PHE n 1 267 PHE n 1 268 GLN n 1 269 ASP n 1 270 ILE n 1 271 GLY n 1 272 PHE n 1 273 GLU n 1 274 ASP n 1 275 GLY n 1 276 TRP n 1 277 LEU n 1 278 MET n 1 279 ARG n 1 280 GLN n 1 281 ASP n 1 282 THR n 1 283 GLU n 1 284 GLY n 1 285 LEU n 1 286 VAL n 1 287 GLU n 1 288 ALA n 1 289 THR n 1 290 MET n 1 291 PRO n 1 292 PRO n 1 293 GLY n 1 294 VAL n 1 295 GLN n 1 296 LEU n 1 297 HIS n 1 298 CYS n 1 299 LEU n 1 300 TYR n 1 301 GLY n 1 302 THR n 1 303 GLY n 1 304 VAL n 1 305 PRO n 1 306 THR n 1 307 PRO n 1 308 ASP n 1 309 SER n 1 310 PHE n 1 311 TYR n 1 312 TYR n 1 313 GLU n 1 314 SER n 1 315 PHE n 1 316 PRO n 1 317 ASP n 1 318 ARG n 1 319 ASP n 1 320 PRO n 1 321 LYS n 1 322 ILE n 1 323 CYS n 1 324 PHE n 1 325 GLY n 1 326 ASP n 1 327 GLY n 1 328 ASP n 1 329 GLY n 1 330 THR n 1 331 VAL n 1 332 ASN n 1 333 LEU n 1 334 LYS n 1 335 SER n 1 336 ALA n 1 337 LEU n 1 338 GLN n 1 339 CYS n 1 340 GLN n 1 341 ALA n 1 342 TRP n 1 343 GLN n 1 344 SER n 1 345 ARG n 1 346 GLN n 1 347 GLU n 1 348 HIS n 1 349 GLN n 1 350 VAL n 1 351 LEU n 1 352 LEU n 1 353 GLN n 1 354 GLU n 1 355 LEU n 1 356 PRO n 1 357 GLY n 1 358 SER n 1 359 GLU n 1 360 HIS n 1 361 ILE n 1 362 GLU n 1 363 MET n 1 364 LEU n 1 365 ALA n 1 366 ASN n 1 367 ALA n 1 368 THR n 1 369 THR n 1 370 LEU n 1 371 ALA n 1 372 TYR n 1 373 LEU n 1 374 LYS n 1 375 ARG n 1 376 VAL n 1 377 LEU n 1 378 LEU n 1 379 GLY n 1 380 PRO n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 380 _entity_src_gen.gene_src_common_name Human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'PLA2G15, LYPLA3, UNQ341/PRO540' _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 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _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 'Homo sapiens' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 9606 _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 'HEK293S GnTI-' _entity_src_gen.pdbx_host_org_atcc CRL-3022 _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code PAG15_HUMAN _struct_ref.pdbx_db_accession Q8NCC3 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;AGRHPPVVLVPGDLGNQLEAKLDKPTVVHYLCSKKTESYFTIWLNLELLLPVIIDCWIDNIRLVYNKTSRATQFPDGVDV RVPGFGKTFSLEFLDPSKSSVGSYFHTMVESLVGWGYTRGEDVRGAPYDWRRAPNENGPYFLALREMIEEMYQLYGGPVV LVAHSMGNMYTLYFLQRQPQAWKDKYIRAFVSLGAPWGGVAKTLRVLASGDNNRIPVIGPLKIREQQRSAVSTSWLLPYN YTWSPEKVFVQTPTINYTLRDYRKFFQDIGFEDGWLMRQDTEGLVEATMPPGVQLHCLYGTGVPTPDSFYYESFPDRDPK ICFGDGDGTVNLKSALQCQAWQSRQEHQVLLQELPGSEHIEMLANATTLAYLKRVLLGP ; _struct_ref.pdbx_align_begin 34 # 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 4X90 A 2 ? 380 ? Q8NCC3 34 ? 412 ? 1 379 2 1 4X90 B 2 ? 380 ? Q8NCC3 34 ? 412 ? 1 379 3 1 4X90 C 2 ? 380 ? Q8NCC3 34 ? 412 ? 1 379 4 1 4X90 D 2 ? 380 ? Q8NCC3 34 ? 412 ? 1 379 # 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 4X90 GLY A 1 ? UNP Q8NCC3 ? ? 'cloning artifact' 0 1 2 4X90 GLY B 1 ? UNP Q8NCC3 ? ? 'cloning artifact' 0 2 3 4X90 GLY C 1 ? UNP Q8NCC3 ? ? 'cloning artifact' 0 3 4 4X90 GLY D 1 ? UNP Q8NCC3 ? ? 'cloning artifact' 0 4 # 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 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 EPE non-polymer . '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' HEPES 'C8 H18 N2 O4 S' 238.305 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 MPD non-polymer . '(4S)-2-METHYL-2,4-PENTANEDIOL' ? 'C6 H14 O2' 118.174 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 PO4 non-polymer . 'PHOSPHATE ION' ? 'O4 P -3' 94.971 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 4X90 _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 3.28 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 62.51 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 7.5 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 277 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '100 mM HEPES pH 7.5, 3.5% PEG 8000, 28% MPD, 300 mM (NH4)2HPO4' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'MARMOSAIC 300 mm CCD' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2013-06-14 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97937 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'APS BEAMLINE 23-ID-D' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.97937 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline 23-ID-D _diffrn_source.pdbx_synchrotron_site APS # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 4X90 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.830 _reflns.d_resolution_low 30.000 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 183439 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 97.800 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 4.000 _reflns.pdbx_Rmerge_I_obs 0.095 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI 17.917 _reflns.pdbx_netI_over_sigmaI 6.700 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared 1.191 _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all 726111 _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.meanI_over_sigI_all _reflns_shell.meanI_over_sigI_obs _reflns_shell.number_measured_all _reflns_shell.number_measured_obs _reflns_shell.number_possible _reflns_shell.number_unique_all _reflns_shell.number_unique_obs _reflns_shell.percent_possible_all _reflns_shell.percent_possible_obs _reflns_shell.Rmerge_F_all _reflns_shell.Rmerge_F_obs _reflns_shell.Rmerge_I_all _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_gt _reflns_shell.meanI_over_uI_all _reflns_shell.meanI_over_uI_gt _reflns_shell.number_measured_gt _reflns_shell.number_unique_gt _reflns_shell.percent_possible_gt _reflns_shell.Rmerge_F_gt _reflns_shell.Rmerge_I_gt _reflns_shell.pdbx_redundancy _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_netI_over_sigmaI_all _reflns_shell.pdbx_netI_over_sigmaI_obs _reflns_shell.pdbx_Rrim_I_all _reflns_shell.pdbx_Rpim_I_all _reflns_shell.pdbx_rejects _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id _reflns_shell.pdbx_CC_half _reflns_shell.pdbx_R_split 1.830 1.860 ? ? ? ? ? 8966 ? 96.400 ? ? ? ? 0.631 ? ? ? ? ? ? ? ? 3.900 ? 0.686 ? ? ? ? 0 1 1 ? ? 1.860 1.900 ? ? ? ? ? 9080 ? 96.500 ? ? ? ? 0.564 ? ? ? ? ? ? ? ? 3.900 ? 0.726 ? ? ? ? 0 2 1 ? ? 1.900 1.930 ? ? ? ? ? 9083 ? 96.600 ? ? ? ? 0.472 ? ? ? ? ? ? ? ? 3.900 ? 0.772 ? ? ? ? 0 3 1 ? ? 1.930 1.970 ? ? ? ? ? 9069 ? 96.800 ? ? ? ? 0.410 ? ? ? ? ? ? ? ? 3.900 ? 0.777 ? ? ? ? 0 4 1 ? ? 1.970 2.010 ? ? ? ? ? 9128 ? 97.000 ? ? ? ? 0.347 ? ? ? ? ? ? ? ? 3.900 ? 0.790 ? ? ? ? 0 5 1 ? ? 2.010 2.060 ? ? ? ? ? 9062 ? 97.100 ? ? ? ? 0.305 ? ? ? ? ? ? ? ? 3.900 ? 0.873 ? ? ? ? 0 6 1 ? ? 2.060 2.110 ? ? ? ? ? 9147 ? 97.200 ? ? ? ? 0.266 ? ? ? ? ? ? ? ? 4.000 ? 0.902 ? ? ? ? 0 7 1 ? ? 2.110 2.170 ? ? ? ? ? 9066 ? 97.300 ? ? ? ? 0.238 ? ? ? ? ? ? ? ? 4.000 ? 0.903 ? ? ? ? 0 8 1 ? ? 2.170 2.230 ? ? ? ? ? 9173 ? 97.600 ? ? ? ? 0.212 ? ? ? ? ? ? ? ? 4.000 ? 0.960 ? ? ? ? 0 9 1 ? ? 2.230 2.310 ? ? ? ? ? 9187 ? 97.700 ? ? ? ? 0.189 ? ? ? ? ? ? ? ? 4.000 ? 0.999 ? ? ? ? 0 10 1 ? ? 2.310 2.390 ? ? ? ? ? 9178 ? 97.800 ? ? ? ? 0.165 ? ? ? ? ? ? ? ? 4.000 ? 1.012 ? ? ? ? 0 11 1 ? ? 2.390 2.480 ? ? ? ? ? 9187 ? 98.000 ? ? ? ? 0.148 ? ? ? ? ? ? ? ? 4.000 ? 1.057 ? ? ? ? 0 12 1 ? ? 2.480 2.600 ? ? ? ? ? 9213 ? 98.200 ? ? ? ? 0.132 ? ? ? ? ? ? ? ? 4.000 ? 1.091 ? ? ? ? 0 13 1 ? ? 2.600 2.730 ? ? ? ? ? 9204 ? 98.300 ? ? ? ? 0.113 ? ? ? ? ? ? ? ? 4.000 ? 1.187 ? ? ? ? 0 14 1 ? ? 2.730 2.900 ? ? ? ? ? 9233 ? 98.500 ? ? ? ? 0.100 ? ? ? ? ? ? ? ? 4.000 ? 1.237 ? ? ? ? 0 15 1 ? ? 2.900 3.130 ? ? ? ? ? 9257 ? 98.600 ? ? ? ? 0.082 ? ? ? ? ? ? ? ? 4.000 ? 1.380 ? ? ? ? 0 16 1 ? ? 3.130 3.440 ? ? ? ? ? 9290 ? 98.800 ? ? ? ? 0.067 ? ? ? ? ? ? ? ? 4.000 ? 1.617 ? ? ? ? 0 17 1 ? ? 3.440 3.940 ? ? ? ? ? 9270 ? 99.100 ? ? ? ? 0.058 ? ? ? ? ? ? ? ? 4.000 ? 1.906 ? ? ? ? 0 18 1 ? ? 3.940 4.960 ? ? ? ? ? 9302 ? 99.200 ? ? ? ? 0.053 ? ? ? ? ? ? ? ? 3.900 ? 2.313 ? ? ? ? 0 19 1 ? ? 4.960 30.000 ? ? ? ? ? 9344 ? 99.500 ? ? ? ? 0.058 ? ? ? ? ? ? ? ? 3.900 ? 2.536 ? ? ? ? 0 20 1 ? ? # _refine.aniso_B[1][1] 1.7100 _refine.aniso_B[1][2] -0.2400 _refine.aniso_B[1][3] 0.1300 _refine.aniso_B[2][2] -0.2200 _refine.aniso_B[2][3] 0.2000 _refine.aniso_B[3][3] -1.3000 _refine.B_iso_max 89.350 _refine.B_iso_mean 26.4220 _refine.B_iso_min 8.610 _refine.correlation_coeff_Fo_to_Fc 0.9700 _refine.correlation_coeff_Fo_to_Fc_free 0.9610 _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED' _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 4X90 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 1.8400 _refine.ls_d_res_low 30. _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 174210 _refine.ls_number_reflns_R_free 9229 _refine.ls_number_reflns_R_work 174210 _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 96.8500 _refine.ls_percent_reflns_R_free 5.0000 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1550 _refine.ls_R_factor_R_free 0.1733 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.1541 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details MASK _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.000 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R 0.1010 _refine.pdbx_overall_ESU_R_Free 0.0930 _refine.pdbx_solvent_vdw_probe_radii 1.2000 _refine.pdbx_solvent_ion_probe_radii 0.8000 _refine.pdbx_solvent_shrinkage_radii 0.8000 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B 4.5060 _refine.overall_SU_ML 0.0660 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.cycle_id final _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.d_res_high 1.8400 _refine_hist.d_res_low 30. _refine_hist.pdbx_number_atoms_ligand 476 _refine_hist.number_atoms_solvent 1065 _refine_hist.number_atoms_total 13617 _refine_hist.pdbx_number_residues_total 1504 _refine_hist.pdbx_B_iso_mean_ligand 42.16 _refine_hist.pdbx_B_iso_mean_solvent 36.80 _refine_hist.pdbx_number_atoms_protein 12076 _refine_hist.pdbx_number_atoms_nucleic_acid 0 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.010 0.019 13498 ? r_bond_refined_d ? ? 'X-RAY DIFFRACTION' ? 0.006 0.020 12557 ? r_bond_other_d ? ? 'X-RAY DIFFRACTION' ? 1.441 1.991 18501 ? r_angle_refined_deg ? ? 'X-RAY DIFFRACTION' ? 1.168 3.000 28856 ? r_angle_other_deg ? ? 'X-RAY DIFFRACTION' ? 5.816 5.006 1624 ? r_dihedral_angle_1_deg ? ? 'X-RAY DIFFRACTION' ? 33.364 23.563 609 ? r_dihedral_angle_2_deg ? ? 'X-RAY DIFFRACTION' ? 11.529 15.000 2088 ? r_dihedral_angle_3_deg ? ? 'X-RAY DIFFRACTION' ? 13.245 15.000 84 ? r_dihedral_angle_4_deg ? ? 'X-RAY DIFFRACTION' ? 0.085 0.200 2015 ? r_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.008 0.021 15191 ? r_gen_planes_refined ? ? 'X-RAY DIFFRACTION' ? 0.005 0.020 3170 ? r_gen_planes_other ? ? 'X-RAY DIFFRACTION' ? 1.271 1.770 6274 ? r_mcbond_it ? ? 'X-RAY DIFFRACTION' ? 1.271 1.769 6273 ? r_mcbond_other ? ? 'X-RAY DIFFRACTION' ? 2.040 2.644 7893 ? r_mcangle_it ? ? # loop_ _refine_ls_restr_ncs.pdbx_ordinal _refine_ls_restr_ncs.pdbx_refine_id _refine_ls_restr_ncs.pdbx_ens_id _refine_ls_restr_ncs.dom_id _refine_ls_restr_ncs.pdbx_type _refine_ls_restr_ncs.pdbx_auth_asym_id _refine_ls_restr_ncs.pdbx_number _refine_ls_restr_ncs.rms_dev_position _refine_ls_restr_ncs.weight_position _refine_ls_restr_ncs.ncs_model_details _refine_ls_restr_ncs.rms_dev_B_iso _refine_ls_restr_ncs.weight_B_iso 1 'X-RAY DIFFRACTION' 1 1 'interatomic distance' A 23512 0.090 0.050 ? ? ? 2 'X-RAY DIFFRACTION' 1 2 'interatomic distance' B 23512 0.090 0.050 ? ? ? 3 'X-RAY DIFFRACTION' 2 1 'interatomic distance' A 23567 0.090 0.050 ? ? ? 4 'X-RAY DIFFRACTION' 2 2 'interatomic distance' C 23567 0.090 0.050 ? ? ? 5 'X-RAY DIFFRACTION' 3 1 'interatomic distance' A 24248 0.060 0.050 ? ? ? 6 'X-RAY DIFFRACTION' 3 2 'interatomic distance' D 24248 0.060 0.050 ? ? ? 7 'X-RAY DIFFRACTION' 4 1 'interatomic distance' B 24220 0.060 0.050 ? ? ? 8 'X-RAY DIFFRACTION' 4 2 'interatomic distance' C 24220 0.060 0.050 ? ? ? 9 'X-RAY DIFFRACTION' 5 1 'interatomic distance' B 23549 0.090 0.050 ? ? ? 10 'X-RAY DIFFRACTION' 5 2 'interatomic distance' D 23549 0.090 0.050 ? ? ? 11 'X-RAY DIFFRACTION' 6 1 'interatomic distance' C 23467 0.090 0.050 ? ? ? 12 'X-RAY DIFFRACTION' 6 2 'interatomic distance' D 23467 0.090 0.050 ? ? ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.d_res_high 1.8380 _refine_ls_shell.d_res_low 1.8860 _refine_ls_shell.number_reflns_all 11744 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 586 _refine_ls_shell.number_reflns_R_work 11158 _refine_ls_shell.percent_reflns_obs 83.7000 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.2200 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.2170 _refine_ls_shell.redundancy_reflns_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.wR_factor_all ? _refine_ls_shell.wR_factor_obs ? _refine_ls_shell.wR_factor_R_free ? _refine_ls_shell.wR_factor_R_work ? _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.pdbx_phase_error ? _refine_ls_shell.pdbx_fsc_work ? _refine_ls_shell.pdbx_fsc_free ? # loop_ _struct_ncs_dom.pdbx_ens_id _struct_ncs_dom.id _struct_ncs_dom.details 1 1 A 1 2 B 2 1 A 2 2 C 3 1 A 3 2 D 4 1 B 4 2 C 5 1 B 5 2 D 6 1 C 6 2 D # loop_ _struct_ncs_dom_lim.pdbx_ens_id _struct_ncs_dom_lim.dom_id _struct_ncs_dom_lim.pdbx_component_id _struct_ncs_dom_lim.pdbx_refine_code _struct_ncs_dom_lim.beg_auth_asym_id _struct_ncs_dom_lim.beg_auth_seq_id _struct_ncs_dom_lim.end_auth_asym_id _struct_ncs_dom_lim.end_auth_seq_id _struct_ncs_dom_lim.selection_details _struct_ncs_dom_lim.beg_label_asym_id _struct_ncs_dom_lim.beg_label_comp_id _struct_ncs_dom_lim.beg_label_seq_id _struct_ncs_dom_lim.beg_label_alt_id _struct_ncs_dom_lim.end_label_asym_id _struct_ncs_dom_lim.end_label_comp_id _struct_ncs_dom_lim.end_label_seq_id _struct_ncs_dom_lim.end_label_alt_id 1 1 0 0 A 4 A 379 ? ? ? ? ? ? ? ? ? 1 2 0 0 B 4 B 379 ? ? ? ? ? ? ? ? ? 2 1 0 0 A 4 A 379 ? ? ? ? ? ? ? ? ? 2 2 0 0 C 4 C 379 ? ? ? ? ? ? ? ? ? 3 1 0 0 A 4 A 379 ? ? ? ? ? ? ? ? ? 3 2 0 0 D 4 D 379 ? ? ? ? ? ? ? ? ? 4 1 0 0 B 4 B 379 ? ? ? ? ? ? ? ? ? 4 2 0 0 C 4 C 379 ? ? ? ? ? ? ? ? ? 5 1 0 0 B 4 B 379 ? ? ? ? ? ? ? ? ? 5 2 0 0 D 4 D 379 ? ? ? ? ? ? ? ? ? 6 1 0 0 C 4 C 379 ? ? ? ? ? ? ? ? ? 6 2 0 0 D 4 D 379 ? ? ? ? ? ? ? ? ? # loop_ _struct_ncs_ens.id _struct_ncs_ens.details 1 ? 2 ? 3 ? 4 ? 5 ? 6 ? # _struct.entry_id 4X90 _struct.title 'Crystal structure of Lysosomal Phospholipase A2' _struct.pdbx_descriptor 'Group XV phospholipase A2 (E.C.2.3.1.-)' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 4X90 _struct_keywords.text 'hydrolase, phospholipase, esterase, acyltransferase, TRANSFERASE' _struct_keywords.pdbx_keywords TRANSFERASE # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 1 ? D N N 1 ? E N N 2 ? F N N 2 ? G N N 2 ? H N N 2 ? I N N 3 ? J N N 4 ? K N N 5 ? L N N 6 ? M N N 6 ? N N N 6 ? O N N 6 ? P N N 6 ? Q N N 2 ? R N N 2 ? S N N 2 ? T N N 2 ? U N N 3 ? V N N 4 ? W N N 5 ? X N N 6 ? Y N N 6 ? Z N N 2 ? AA N N 2 ? BA N N 2 ? CA N N 2 ? DA N N 3 ? EA N N 4 ? FA N N 5 ? GA N N 6 ? HA N N 6 ? IA N N 6 ? JA N N 2 ? KA N N 2 ? LA N N 2 ? MA N N 2 ? NA N N 3 ? OA N N 4 ? PA N N 5 ? QA N N 6 ? RA N N 6 ? SA N N 6 ? TA N N 6 ? UA N N 7 ? VA N N 7 ? WA N N 7 ? XA N N 7 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 ASN A 46 ? LEU A 51 ? ASN A 45 LEU A 50 5 ? 6 HELX_P HELX_P2 AA2 VAL A 53 ? ARG A 63 ? VAL A 52 ARG A 62 1 ? 11 HELX_P HELX_P3 AA3 THR A 89 ? PHE A 94 ? THR A 88 PHE A 93 1 ? 6 HELX_P HELX_P4 AA4 SER A 100 ? SER A 104 ? SER A 99 SER A 103 5 ? 5 HELX_P HELX_P5 AA5 PHE A 106 ? TRP A 116 ? PHE A 105 TRP A 115 1 ? 11 HELX_P HELX_P6 AA6 ALA A 134 ? GLU A 137 ? ALA A 133 GLU A 136 5 ? 4 HELX_P HELX_P7 AA7 ASN A 138 ? GLY A 157 ? ASN A 137 GLY A 156 1 ? 20 HELX_P HELX_P8 AA8 MET A 167 ? ARG A 178 ? MET A 166 ARG A 177 1 ? 12 HELX_P HELX_P9 AA9 PRO A 180 ? TYR A 187 ? PRO A 179 TYR A 186 1 ? 8 HELX_P HELX_P10 AB1 ALA A 202 ? GLY A 211 ? ALA A 201 GLY A 210 1 ? 10 HELX_P HELX_P11 AB2 GLY A 220 ? ALA A 231 ? GLY A 219 ALA A 230 1 ? 12 HELX_P HELX_P12 AB3 ALA A 231 ? LEU A 237 ? ALA A 230 LEU A 236 1 ? 7 HELX_P HELX_P13 AB4 ASP A 262 ? ILE A 270 ? ASP A 261 ILE A 269 1 ? 9 HELX_P HELX_P14 AB5 PHE A 272 ? GLU A 283 ? PHE A 271 GLU A 282 1 ? 12 HELX_P HELX_P15 AB6 ASN A 332 ? LYS A 334 ? ASN A 331 LYS A 333 5 ? 3 HELX_P HELX_P16 AB7 SER A 335 ? GLN A 343 ? SER A 334 GLN A 342 1 ? 9 HELX_P HELX_P17 AB8 ILE A 361 ? ALA A 365 ? ILE A 360 ALA A 364 5 ? 5 HELX_P HELX_P18 AB9 ASN A 366 ? GLY A 379 ? ASN A 365 GLY A 378 1 ? 14 HELX_P HELX_P19 AC1 ASN B 46 ? LEU B 51 ? ASN B 45 LEU B 50 5 ? 6 HELX_P HELX_P20 AC2 VAL B 53 ? ARG B 63 ? VAL B 52 ARG B 62 1 ? 11 HELX_P HELX_P21 AC3 THR B 89 ? PHE B 94 ? THR B 88 PHE B 93 1 ? 6 HELX_P HELX_P22 AC4 SER B 100 ? SER B 104 ? SER B 99 SER B 103 5 ? 5 HELX_P HELX_P23 AC5 PHE B 106 ? TRP B 116 ? PHE B 105 TRP B 115 1 ? 11 HELX_P HELX_P24 AC6 ALA B 134 ? GLU B 137 ? ALA B 133 GLU B 136 5 ? 4 HELX_P HELX_P25 AC7 ASN B 138 ? GLY B 157 ? ASN B 137 GLY B 156 1 ? 20 HELX_P HELX_P26 AC8 MET B 167 ? ARG B 178 ? MET B 166 ARG B 177 1 ? 12 HELX_P HELX_P27 AC9 PRO B 180 ? TYR B 187 ? PRO B 179 TYR B 186 1 ? 8 HELX_P HELX_P28 AD1 ALA B 202 ? GLY B 211 ? ALA B 201 GLY B 210 1 ? 10 HELX_P HELX_P29 AD2 GLY B 220 ? ALA B 231 ? GLY B 219 ALA B 230 1 ? 12 HELX_P HELX_P30 AD3 ALA B 231 ? LEU B 237 ? ALA B 230 LEU B 236 1 ? 7 HELX_P HELX_P31 AD4 ASP B 262 ? GLY B 271 ? ASP B 261 GLY B 270 1 ? 10 HELX_P HELX_P32 AD5 PHE B 272 ? GLU B 283 ? PHE B 271 GLU B 282 1 ? 12 HELX_P HELX_P33 AD6 ASN B 332 ? LYS B 334 ? ASN B 331 LYS B 333 5 ? 3 HELX_P HELX_P34 AD7 SER B 335 ? GLN B 343 ? SER B 334 GLN B 342 1 ? 9 HELX_P HELX_P35 AD8 ILE B 361 ? ALA B 365 ? ILE B 360 ALA B 364 5 ? 5 HELX_P HELX_P36 AD9 ASN B 366 ? GLY B 379 ? ASN B 365 GLY B 378 1 ? 14 HELX_P HELX_P37 AE1 ASN C 46 ? LEU C 51 ? ASN C 45 LEU C 50 5 ? 6 HELX_P HELX_P38 AE2 VAL C 53 ? ARG C 63 ? VAL C 52 ARG C 62 1 ? 11 HELX_P HELX_P39 AE3 THR C 89 ? PHE C 94 ? THR C 88 PHE C 93 1 ? 6 HELX_P HELX_P40 AE4 SER C 100 ? SER C 104 ? SER C 99 SER C 103 5 ? 5 HELX_P HELX_P41 AE5 PHE C 106 ? TRP C 116 ? PHE C 105 TRP C 115 1 ? 11 HELX_P HELX_P42 AE6 ALA C 134 ? GLU C 137 ? ALA C 133 GLU C 136 5 ? 4 HELX_P HELX_P43 AE7 ASN C 138 ? GLY C 157 ? ASN C 137 GLY C 156 1 ? 20 HELX_P HELX_P44 AE8 MET C 167 ? ARG C 178 ? MET C 166 ARG C 177 1 ? 12 HELX_P HELX_P45 AE9 PRO C 180 ? TYR C 187 ? PRO C 179 TYR C 186 1 ? 8 HELX_P HELX_P46 AF1 ALA C 202 ? GLY C 211 ? ALA C 201 GLY C 210 1 ? 10 HELX_P HELX_P47 AF2 GLY C 220 ? ALA C 231 ? GLY C 219 ALA C 230 1 ? 12 HELX_P HELX_P48 AF3 ALA C 231 ? LEU C 237 ? ALA C 230 LEU C 236 1 ? 7 HELX_P HELX_P49 AF4 ASP C 262 ? GLY C 271 ? ASP C 261 GLY C 270 1 ? 10 HELX_P HELX_P50 AF5 GLU C 273 ? GLU C 283 ? GLU C 272 GLU C 282 1 ? 11 HELX_P HELX_P51 AF6 ASN C 332 ? LYS C 334 ? ASN C 331 LYS C 333 5 ? 3 HELX_P HELX_P52 AF7 SER C 335 ? GLN C 343 ? SER C 334 GLN C 342 1 ? 9 HELX_P HELX_P53 AF8 ILE C 361 ? ALA C 365 ? ILE C 360 ALA C 364 5 ? 5 HELX_P HELX_P54 AF9 ASN C 366 ? GLY C 379 ? ASN C 365 GLY C 378 1 ? 14 HELX_P HELX_P55 AG1 ASN D 46 ? LEU D 51 ? ASN D 45 LEU D 50 5 ? 6 HELX_P HELX_P56 AG2 VAL D 53 ? ARG D 63 ? VAL D 52 ARG D 62 1 ? 11 HELX_P HELX_P57 AG3 THR D 89 ? PHE D 94 ? THR D 88 PHE D 93 1 ? 6 HELX_P HELX_P58 AG4 SER D 100 ? SER D 104 ? SER D 99 SER D 103 5 ? 5 HELX_P HELX_P59 AG5 PHE D 106 ? TRP D 116 ? PHE D 105 TRP D 115 1 ? 11 HELX_P HELX_P60 AG6 ALA D 134 ? GLU D 137 ? ALA D 133 GLU D 136 5 ? 4 HELX_P HELX_P61 AG7 ASN D 138 ? GLY D 157 ? ASN D 137 GLY D 156 1 ? 20 HELX_P HELX_P62 AG8 MET D 167 ? ARG D 178 ? MET D 166 ARG D 177 1 ? 12 HELX_P HELX_P63 AG9 PRO D 180 ? TYR D 187 ? PRO D 179 TYR D 186 1 ? 8 HELX_P HELX_P64 AH1 ALA D 202 ? GLY D 211 ? ALA D 201 GLY D 210 1 ? 10 HELX_P HELX_P65 AH2 GLY D 220 ? ALA D 231 ? GLY D 219 ALA D 230 1 ? 12 HELX_P HELX_P66 AH3 ALA D 231 ? LEU D 237 ? ALA D 230 LEU D 236 1 ? 7 HELX_P HELX_P67 AH4 ASP D 262 ? ILE D 270 ? ASP D 261 ILE D 269 1 ? 9 HELX_P HELX_P68 AH5 PHE D 272 ? GLU D 283 ? PHE D 271 GLU D 282 1 ? 12 HELX_P HELX_P69 AH6 ASN D 332 ? LYS D 334 ? ASN D 331 LYS D 333 5 ? 3 HELX_P HELX_P70 AH7 SER D 335 ? GLN D 343 ? SER D 334 GLN D 342 1 ? 9 HELX_P HELX_P71 AH8 ILE D 361 ? ALA D 365 ? ILE D 360 ALA D 364 5 ? 5 HELX_P HELX_P72 AH9 ASN D 366 ? GLY D 379 ? ASN D 365 GLY D 378 1 ? 14 # _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 33 SG ? ? ? 1_555 A CYS 57 SG ? ? A CYS 32 A CYS 56 1_555 ? ? ? ? ? ? ? 2.038 ? disulf2 disulf ? ? B CYS 33 SG ? ? ? 1_555 B CYS 57 SG ? ? B CYS 32 B CYS 56 1_555 ? ? ? ? ? ? ? 2.046 ? disulf3 disulf ? ? C CYS 33 SG ? ? ? 1_555 C CYS 57 SG ? ? C CYS 32 C CYS 56 1_555 ? ? ? ? ? ? ? 2.055 ? disulf4 disulf ? ? D CYS 33 SG ? ? ? 1_555 D CYS 57 SG ? ? D CYS 32 D CYS 56 1_555 ? ? ? ? ? ? ? 2.052 ? covale1 covale one ? A ASN 67 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 66 A NAG 401 1_555 ? ? ? ? ? ? ? 1.445 ? covale2 covale one ? A ASN 241 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 240 A NAG 402 1_555 ? ? ? ? ? ? ? 1.429 ? covale3 covale one ? A ASN 257 ND2 A ? ? 1_555 G NAG . C1 A ? A ASN 256 A NAG 403 1_555 ? ? ? ? ? ? ? 1.449 ? covale4 covale one ? A ASN 257 ND2 B ? ? 1_555 G NAG . C1 B ? A ASN 256 A NAG 403 1_555 ? ? ? ? ? ? ? 1.445 ? covale5 covale one ? A ASN 366 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 365 A NAG 404 1_555 ? ? ? ? ? ? ? 1.432 ? covale6 covale one ? B ASN 67 ND2 ? ? ? 1_555 Q NAG . C1 ? ? B ASN 66 B NAG 401 1_555 ? ? ? ? ? ? ? 1.452 ? covale7 covale one ? B ASN 241 ND2 ? ? ? 1_555 R NAG . C1 ? ? B ASN 240 B NAG 402 1_555 ? ? ? ? ? ? ? 1.438 ? covale8 covale one ? B ASN 257 ND2 A ? ? 1_555 S NAG . C1 A ? B ASN 256 B NAG 403 1_555 ? ? ? ? ? ? ? 1.439 ? covale9 covale one ? B ASN 257 ND2 B ? ? 1_555 S NAG . C1 B ? B ASN 256 B NAG 403 1_555 ? ? ? ? ? ? ? 1.453 ? covale10 covale one ? B ASN 366 ND2 ? ? ? 1_555 T NAG . C1 ? ? B ASN 365 B NAG 404 1_555 ? ? ? ? ? ? ? 1.429 ? covale11 covale one ? C ASN 67 ND2 ? ? ? 1_555 Z NAG . C1 ? ? C ASN 66 C NAG 401 1_555 ? ? ? ? ? ? ? 1.455 ? covale12 covale one ? C ASN 241 ND2 ? ? ? 1_555 AA NAG . C1 ? ? C ASN 240 C NAG 402 1_555 ? ? ? ? ? ? ? 1.437 ? covale13 covale one ? C ASN 257 ND2 A ? ? 1_555 BA NAG . C1 A ? C ASN 256 C NAG 403 1_555 ? ? ? ? ? ? ? 1.449 ? covale14 covale one ? C ASN 257 ND2 B ? ? 1_555 BA NAG . C1 B ? C ASN 256 C NAG 403 1_555 ? ? ? ? ? ? ? 1.436 ? covale15 covale one ? C ASN 366 ND2 ? ? ? 1_555 CA NAG . C1 ? ? C ASN 365 C NAG 404 1_555 ? ? ? ? ? ? ? 1.424 ? covale16 covale one ? D ASN 67 ND2 ? ? ? 1_555 JA NAG . C1 ? ? D ASN 66 D NAG 402 1_555 ? ? ? ? ? ? ? 1.435 ? covale17 covale one ? D ASN 241 ND2 ? ? ? 1_555 KA NAG . C1 ? ? D ASN 240 D NAG 403 1_555 ? ? ? ? ? ? ? 1.433 ? covale18 covale one ? D ASN 257 ND2 A ? ? 1_555 LA NAG . C1 A ? D ASN 256 D NAG 404 1_555 ? ? ? ? ? ? ? 1.452 ? covale19 covale one ? D ASN 257 ND2 B ? ? 1_555 LA NAG . C1 B ? D ASN 256 D NAG 404 1_555 ? ? ? ? ? ? ? 1.454 ? covale20 covale one ? D ASN 366 ND2 ? ? ? 1_555 MA NAG . C1 ? ? D ASN 365 D NAG 405 1_555 ? ? ? ? ? ? ? 1.429 ? # 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 TRP 44 A . ? TRP 43 A LEU 45 A ? LEU 44 A 1 -0.96 2 PHE 315 A . ? PHE 314 A PRO 316 A ? PRO 315 A 1 0.82 3 TRP 44 B . ? TRP 43 B LEU 45 B ? LEU 44 B 1 -1.78 4 PHE 315 B . ? PHE 314 B PRO 316 B ? PRO 315 B 1 3.23 5 TRP 44 C . ? TRP 43 C LEU 45 C ? LEU 44 C 1 -1.40 6 PHE 315 C . ? PHE 314 C PRO 316 C ? PRO 315 C 1 1.93 7 TRP 44 D . ? TRP 43 D LEU 45 D ? LEU 44 D 1 -0.63 8 PHE 315 D . ? PHE 314 D PRO 316 D ? PRO 315 D 1 2.66 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 6 ? AA2 ? 3 ? AA3 ? 2 ? AA4 ? 4 ? AA5 ? 6 ? AA6 ? 3 ? AA7 ? 2 ? AA8 ? 4 ? AA9 ? 6 ? AB1 ? 3 ? AB2 ? 2 ? AB3 ? 4 ? AB4 ? 6 ? AB5 ? 3 ? AB6 ? 2 ? AB7 ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? parallel AA1 2 3 ? parallel AA1 3 4 ? parallel AA1 4 5 ? parallel AA1 5 6 ? parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA3 1 2 ? anti-parallel AA4 1 2 ? anti-parallel AA4 2 3 ? parallel AA4 3 4 ? anti-parallel AA5 1 2 ? parallel AA5 2 3 ? parallel AA5 3 4 ? parallel AA5 4 5 ? parallel AA5 5 6 ? parallel AA6 1 2 ? anti-parallel AA6 2 3 ? anti-parallel AA7 1 2 ? anti-parallel AA8 1 2 ? anti-parallel AA8 2 3 ? parallel AA8 3 4 ? anti-parallel AA9 1 2 ? parallel AA9 2 3 ? parallel AA9 3 4 ? parallel AA9 4 5 ? parallel AA9 5 6 ? parallel AB1 1 2 ? anti-parallel AB1 2 3 ? anti-parallel AB2 1 2 ? anti-parallel AB3 1 2 ? anti-parallel AB3 2 3 ? parallel AB3 3 4 ? anti-parallel AB4 1 2 ? parallel AB4 2 3 ? parallel AB4 3 4 ? parallel AB4 4 5 ? parallel AB4 5 6 ? parallel AB5 1 2 ? anti-parallel AB5 2 3 ? anti-parallel AB6 1 2 ? anti-parallel AB7 1 2 ? anti-parallel AB7 2 3 ? parallel AB7 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 VAL A 124 ? GLY A 126 ? VAL A 123 GLY A 125 AA1 2 VAL A 8 ? VAL A 11 ? VAL A 7 VAL A 10 AA1 3 VAL A 160 ? HIS A 165 ? VAL A 159 HIS A 164 AA1 4 ILE A 188 ? LEU A 194 ? ILE A 187 LEU A 193 AA1 5 LEU A 296 ? THR A 302 ? LEU A 295 THR A 301 AA1 6 VAL A 350 ? PRO A 356 ? VAL A 349 PRO A 355 AA2 1 PHE A 41 ? TRP A 44 ? PHE A 40 TRP A 43 AA2 2 LEU A 19 ? LEU A 23 ? LEU A 18 LEU A 22 AA2 3 VAL A 79 ? ARG A 82 ? VAL A 78 ARG A 81 AA3 1 VAL A 65 ? ASN A 67 ? VAL A 64 ASN A 66 AA3 2 ALA A 72 ? GLN A 74 ? ALA A 71 GLN A 73 AA4 1 ASN A 257 ? THR A 259 ? ASN A 256 THR A 258 AA4 2 VAL A 249 ? GLN A 252 ? VAL A 248 GLN A 251 AA4 3 THR A 306 ? TYR A 311 ? THR A 305 TYR A 310 AA4 4 LYS A 321 ? GLY A 325 ? LYS A 320 GLY A 324 AA5 1 VAL B 124 ? GLY B 126 ? VAL B 123 GLY B 125 AA5 2 VAL B 8 ? VAL B 11 ? VAL B 7 VAL B 10 AA5 3 VAL B 160 ? HIS B 165 ? VAL B 159 HIS B 164 AA5 4 ILE B 188 ? LEU B 194 ? ILE B 187 LEU B 193 AA5 5 LEU B 296 ? THR B 302 ? LEU B 295 THR B 301 AA5 6 VAL B 350 ? PRO B 356 ? VAL B 349 PRO B 355 AA6 1 PHE B 41 ? TRP B 44 ? PHE B 40 TRP B 43 AA6 2 LEU B 19 ? LEU B 23 ? LEU B 18 LEU B 22 AA6 3 VAL B 79 ? ARG B 82 ? VAL B 78 ARG B 81 AA7 1 VAL B 65 ? ASN B 67 ? VAL B 64 ASN B 66 AA7 2 ALA B 72 ? GLN B 74 ? ALA B 71 GLN B 73 AA8 1 ASN B 257 ? TYR B 258 ? ASN B 256 TYR B 257 AA8 2 VAL B 251 ? GLN B 252 ? VAL B 250 GLN B 251 AA8 3 THR B 306 ? TYR B 311 ? THR B 305 TYR B 310 AA8 4 LYS B 321 ? GLY B 325 ? LYS B 320 GLY B 324 AA9 1 VAL C 124 ? GLY C 126 ? VAL C 123 GLY C 125 AA9 2 VAL C 8 ? VAL C 11 ? VAL C 7 VAL C 10 AA9 3 VAL C 160 ? HIS C 165 ? VAL C 159 HIS C 164 AA9 4 ILE C 188 ? LEU C 194 ? ILE C 187 LEU C 193 AA9 5 LEU C 296 ? THR C 302 ? LEU C 295 THR C 301 AA9 6 VAL C 350 ? PRO C 356 ? VAL C 349 PRO C 355 AB1 1 PHE C 41 ? TRP C 44 ? PHE C 40 TRP C 43 AB1 2 LEU C 19 ? LEU C 23 ? LEU C 18 LEU C 22 AB1 3 VAL C 79 ? ARG C 82 ? VAL C 78 ARG C 81 AB2 1 VAL C 65 ? ASN C 67 ? VAL C 64 ASN C 66 AB2 2 ALA C 72 ? GLN C 74 ? ALA C 71 GLN C 73 AB3 1 ASN C 257 ? TYR C 258 ? ASN C 256 TYR C 257 AB3 2 VAL C 251 ? GLN C 252 ? VAL C 250 GLN C 251 AB3 3 THR C 306 ? TYR C 311 ? THR C 305 TYR C 310 AB3 4 LYS C 321 ? GLY C 325 ? LYS C 320 GLY C 324 AB4 1 VAL D 124 ? GLY D 126 ? VAL D 123 GLY D 125 AB4 2 VAL D 8 ? VAL D 11 ? VAL D 7 VAL D 10 AB4 3 VAL D 160 ? HIS D 165 ? VAL D 159 HIS D 164 AB4 4 ILE D 188 ? LEU D 194 ? ILE D 187 LEU D 193 AB4 5 LEU D 296 ? THR D 302 ? LEU D 295 THR D 301 AB4 6 VAL D 350 ? PRO D 356 ? VAL D 349 PRO D 355 AB5 1 PHE D 41 ? TRP D 44 ? PHE D 40 TRP D 43 AB5 2 LEU D 19 ? LEU D 23 ? LEU D 18 LEU D 22 AB5 3 VAL D 79 ? ARG D 82 ? VAL D 78 ARG D 81 AB6 1 VAL D 65 ? ASN D 67 ? VAL D 64 ASN D 66 AB6 2 ALA D 72 ? GLN D 74 ? ALA D 71 GLN D 73 AB7 1 ASN D 257 ? THR D 259 ? ASN D 256 THR D 258 AB7 2 VAL D 249 ? GLN D 252 ? VAL D 248 GLN D 251 AB7 3 THR D 306 ? TYR D 311 ? THR D 305 TYR D 310 AB7 4 LYS D 321 ? GLY D 325 ? LYS D 320 GLY D 324 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 O ARG A 125 ? O ARG A 124 N LEU A 10 ? N LEU A 9 AA1 2 3 N VAL A 9 ? N VAL A 8 O VAL A 163 ? O VAL A 162 AA1 3 4 N LEU A 162 ? N LEU A 161 O VAL A 192 ? O VAL A 191 AA1 4 5 N SER A 193 ? N SER A 192 O HIS A 297 ? O HIS A 296 AA1 5 6 N CYS A 298 ? N CYS A 297 O LEU A 351 ? O LEU A 350 AA2 1 2 O PHE A 41 ? O PHE A 40 N ALA A 21 ? N ALA A 20 AA2 2 3 N GLU A 20 ? N GLU A 19 O ARG A 82 ? O ARG A 81 AA3 1 2 N VAL A 65 ? N VAL A 64 O GLN A 74 ? O GLN A 73 AA4 1 2 O TYR A 258 ? O TYR A 257 N VAL A 251 ? N VAL A 250 AA4 2 3 N GLN A 252 ? N GLN A 251 O PHE A 310 ? O PHE A 309 AA4 3 4 N ASP A 308 ? N ASP A 307 O CYS A 323 ? O CYS A 322 AA5 1 2 O ARG B 125 ? O ARG B 124 N LEU B 10 ? N LEU B 9 AA5 2 3 N VAL B 9 ? N VAL B 8 O VAL B 163 ? O VAL B 162 AA5 3 4 N LEU B 162 ? N LEU B 161 O VAL B 192 ? O VAL B 191 AA5 4 5 N SER B 193 ? N SER B 192 O HIS B 297 ? O HIS B 296 AA5 5 6 N CYS B 298 ? N CYS B 297 O LEU B 351 ? O LEU B 350 AA6 1 2 O PHE B 41 ? O PHE B 40 N ALA B 21 ? N ALA B 20 AA6 2 3 N GLU B 20 ? N GLU B 19 O ARG B 82 ? O ARG B 81 AA7 1 2 N VAL B 65 ? N VAL B 64 O GLN B 74 ? O GLN B 73 AA8 1 2 O TYR B 258 ? O TYR B 257 N VAL B 251 ? N VAL B 250 AA8 2 3 N GLN B 252 ? N GLN B 251 O PHE B 310 ? O PHE B 309 AA8 3 4 N THR B 306 ? N THR B 305 O GLY B 325 ? O GLY B 324 AA9 1 2 O ARG C 125 ? O ARG C 124 N LEU C 10 ? N LEU C 9 AA9 2 3 N VAL C 9 ? N VAL C 8 O VAL C 163 ? O VAL C 162 AA9 3 4 N LEU C 162 ? N LEU C 161 O VAL C 192 ? O VAL C 191 AA9 4 5 N SER C 193 ? N SER C 192 O HIS C 297 ? O HIS C 296 AA9 5 6 N CYS C 298 ? N CYS C 297 O LEU C 351 ? O LEU C 350 AB1 1 2 O PHE C 41 ? O PHE C 40 N ALA C 21 ? N ALA C 20 AB1 2 3 N GLU C 20 ? N GLU C 19 O ARG C 82 ? O ARG C 81 AB2 1 2 N VAL C 65 ? N VAL C 64 O GLN C 74 ? O GLN C 73 AB3 1 2 O TYR C 258 ? O TYR C 257 N VAL C 251 ? N VAL C 250 AB3 2 3 N GLN C 252 ? N GLN C 251 O PHE C 310 ? O PHE C 309 AB3 3 4 N ASP C 308 ? N ASP C 307 O CYS C 323 ? O CYS C 322 AB4 1 2 O ARG D 125 ? O ARG D 124 N LEU D 10 ? N LEU D 9 AB4 2 3 N VAL D 9 ? N VAL D 8 O VAL D 163 ? O VAL D 162 AB4 3 4 N LEU D 162 ? N LEU D 161 O VAL D 192 ? O VAL D 191 AB4 4 5 N SER D 193 ? N SER D 192 O HIS D 297 ? O HIS D 296 AB4 5 6 N CYS D 298 ? N CYS D 297 O LEU D 351 ? O LEU D 350 AB5 1 2 O PHE D 41 ? O PHE D 40 N ALA D 21 ? N ALA D 20 AB5 2 3 N GLU D 20 ? N GLU D 19 O ARG D 82 ? O ARG D 81 AB6 1 2 N VAL D 65 ? N VAL D 64 O GLN D 74 ? O GLN D 73 AB7 1 2 O TYR D 258 ? O TYR D 257 N VAL D 251 ? N VAL D 250 AB7 2 3 N GLN D 252 ? N GLN D 251 O PHE D 310 ? O PHE D 309 AB7 3 4 N ASP D 308 ? N ASP D 307 O CYS D 323 ? O CYS D 322 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A EPE 405 ? 6 'binding site for residue EPE A 405' AC2 Software A CL 406 ? 3 'binding site for residue CL A 406' AC3 Software A PO4 407 ? 6 'binding site for residue PO4 A 407' AC4 Software A MPD 408 ? 6 'binding site for residue MPD A 408' AC5 Software A MPD 409 ? 7 'binding site for residue MPD A 409' AC6 Software A MPD 410 ? 1 'binding site for residue MPD A 410' AC7 Software A MPD 411 ? 6 'binding site for residue MPD A 411' AC8 Software A MPD 412 ? 8 'binding site for residue MPD A 412' AC9 Software B EPE 405 ? 8 'binding site for residue EPE B 405' AD1 Software B CL 406 ? 3 'binding site for residue CL B 406' AD2 Software B PO4 407 ? 5 'binding site for residue PO4 B 407' AD3 Software B MPD 408 ? 5 'binding site for residue MPD B 408' AD4 Software B MPD 409 ? 7 'binding site for residue MPD B 409' AD5 Software C EPE 405 ? 9 'binding site for residue EPE C 405' AD6 Software C CL 406 ? 3 'binding site for residue CL C 406' AD7 Software C PO4 407 ? 5 'binding site for residue PO4 C 407' AD8 Software C MPD 408 ? 6 'binding site for residue MPD C 408' AD9 Software C MPD 409 ? 7 'binding site for residue MPD C 409' AE1 Software D MPD 401 ? 7 'binding site for residue MPD D 401' AE2 Software D EPE 406 ? 6 'binding site for residue EPE D 406' AE3 Software D CL 407 ? 3 'binding site for residue CL D 407' AE4 Software D PO4 408 ? 5 'binding site for residue PO4 D 408' AE5 Software D MPD 409 ? 6 'binding site for residue MPD D 409' AE6 Software D MPD 410 ? 7 'binding site for residue MPD D 410' AE7 Software D MPD 411 ? 2 'binding site for residue MPD D 411' AE8 Software D MPD 412 ? 7 'binding site for residue MPD D 412' AE9 Software A NAG 401 ? 6 'binding site for Mono-Saccharide NAG A 401 bound to ASN A 66' AF1 Software A NAG 402 ? 7 'binding site for Mono-Saccharide NAG A 402 bound to ASN A 240' AF2 Software A NAG 403 ? 20 'binding site for Mono-Saccharide NAG A 403 bound to ASN A 256' AF3 Software A NAG 404 ? 9 'binding site for Mono-Saccharide NAG A 404 bound to ASN A 365' AF4 Software B NAG 401 ? 2 'binding site for Mono-Saccharide NAG B 401 bound to ASN B 66' AF5 Software B NAG 402 ? 8 'binding site for Mono-Saccharide NAG B 402 bound to ASN B 240' AF6 Software B NAG 403 ? 17 'binding site for Mono-Saccharide NAG B 403 bound to ASN B 256' AF7 Software B NAG 404 ? 7 'binding site for Mono-Saccharide NAG B 404 bound to ASN B 365' AF8 Software C NAG 401 ? 3 'binding site for Mono-Saccharide NAG C 401 bound to ASN C 66' AF9 Software C NAG 402 ? 6 'binding site for Mono-Saccharide NAG C 402 bound to ASN C 240' AG1 Software C NAG 403 ? 12 'binding site for Mono-Saccharide NAG C 403 bound to ASN C 256' AG2 Software C NAG 404 ? 8 'binding site for Mono-Saccharide NAG C 404 bound to ASN C 365' AG3 Software D NAG 402 ? 6 'binding site for Mono-Saccharide NAG D 402 bound to ASN D 66' AG4 Software D NAG 403 ? 7 'binding site for Mono-Saccharide NAG D 403 bound to ASN D 240' AG5 Software D NAG 404 ? 20 'binding site for Mono-Saccharide NAG D 404 bound to ASN D 256' AG6 Software D NAG 405 ? 7 'binding site for Mono-Saccharide NAG D 405 bound to ASN D 365' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 6 CYS A 33 ? CYS A 32 . ? 1_555 ? 2 AC1 6 SER A 34 ? SER A 33 . ? 1_555 ? 3 AC1 6 ASN A 61 ? ASN A 60 . ? 1_555 ? 4 AC1 6 HOH UA . ? HOH A 553 . ? 1_555 ? 5 AC1 6 HOH UA . ? HOH A 619 . ? 1_555 ? 6 AC1 6 HOH UA . ? HOH A 719 . ? 1_555 ? 7 AC2 3 GLN A 295 ? GLN A 294 . ? 1_555 ? 8 AC2 3 HIS A 348 ? HIS A 347 . ? 1_555 ? 9 AC2 3 GLN A 349 ? GLN A 348 . ? 1_555 ? 10 AC3 6 TYR A 31 ? TYR A 30 . ? 1_455 ? 11 AC3 6 GLN A 181 ? GLN A 180 . ? 1_555 ? 12 AC3 6 GLY A 293 ? GLY A 292 . ? 1_555 ? 13 AC3 6 GLN A 346 ? GLN A 345 . ? 1_555 ? 14 AC3 6 GLU A 347 ? GLU A 346 . ? 1_555 ? 15 AC3 6 HIS A 348 ? HIS A 347 . ? 1_555 ? 16 AC4 6 ASP A 14 ? ASP A 13 . ? 1_555 ? 17 AC4 6 ASP A 212 ? ASP A 211 . ? 1_555 ? 18 AC4 6 GLN A 228 ? GLN A 227 . ? 1_555 ? 19 AC4 6 MPD M . ? MPD A 409 . ? 1_555 ? 20 AC4 6 MPD O . ? MPD A 411 . ? 1_555 ? 21 AC4 6 HOH UA . ? HOH A 575 . ? 1_555 ? 22 AC5 7 ASP A 14 ? ASP A 13 . ? 1_555 ? 23 AC5 7 SER A 166 ? SER A 165 . ? 1_555 ? 24 AC5 7 VAL A 201 ? VAL A 200 . ? 1_555 ? 25 AC5 7 THR A 204 ? THR A 203 . ? 1_555 ? 26 AC5 7 LEU A 237 ? LEU A 236 . ? 1_555 ? 27 AC5 7 MPD L . ? MPD A 408 . ? 1_555 ? 28 AC5 7 HOH UA . ? HOH A 532 . ? 1_555 ? 29 AC6 1 ARG A 215 ? ARG A 214 . ? 1_555 ? 30 AC7 6 TRP A 58 ? TRP A 57 . ? 1_555 ? 31 AC7 6 ILE A 216 ? ILE A 215 . ? 1_555 ? 32 AC7 6 GLN A 227 ? GLN A 226 . ? 1_555 ? 33 AC7 6 GLN A 228 ? GLN A 227 . ? 1_555 ? 34 AC7 6 MPD L . ? MPD A 408 . ? 1_555 ? 35 AC7 6 HOH UA . ? HOH A 575 . ? 1_555 ? 36 AC8 8 GLN A 74 ? GLN A 73 . ? 1_555 ? 37 AC8 8 HOH UA . ? HOH A 618 . ? 1_555 ? 38 AC8 8 HOH UA . ? HOH A 655 . ? 1_555 ? 39 AC8 8 ARG B 146 ? ARG B 145 . ? 1_555 ? 40 AC8 8 PRO B 180 ? PRO B 179 . ? 1_555 ? 41 AC8 8 ALA B 182 ? ALA B 181 . ? 1_555 ? 42 AC8 8 TRP B 183 ? TRP B 182 . ? 1_555 ? 43 AC8 8 HOH VA . ? HOH B 597 . ? 1_555 ? 44 AC9 8 CYS B 33 ? CYS B 32 . ? 1_555 ? 45 AC9 8 SER B 34 ? SER B 33 . ? 1_555 ? 46 AC9 8 ILE B 54 ? ILE B 53 . ? 1_555 ? 47 AC9 8 CYS B 57 ? CYS B 56 . ? 1_555 ? 48 AC9 8 ASN B 61 ? ASN B 60 . ? 1_555 ? 49 AC9 8 HOH VA . ? HOH B 585 . ? 1_555 ? 50 AC9 8 HOH VA . ? HOH B 640 . ? 1_555 ? 51 AC9 8 HOH VA . ? HOH B 694 . ? 1_555 ? 52 AD1 3 GLN B 295 ? GLN B 294 . ? 1_555 ? 53 AD1 3 HIS B 348 ? HIS B 347 . ? 1_555 ? 54 AD1 3 GLN B 349 ? GLN B 348 . ? 1_555 ? 55 AD2 5 GLN B 181 ? GLN B 180 . ? 1_555 ? 56 AD2 5 GLY B 293 ? GLY B 292 . ? 1_555 ? 57 AD2 5 GLN B 346 ? GLN B 345 . ? 1_555 ? 58 AD2 5 GLU B 347 ? GLU B 346 . ? 1_555 ? 59 AD2 5 HIS B 348 ? HIS B 347 . ? 1_555 ? 60 AD3 5 ASP B 14 ? ASP B 13 . ? 1_555 ? 61 AD3 5 ASP B 212 ? ASP B 211 . ? 1_555 ? 62 AD3 5 GLN B 228 ? GLN B 227 . ? 1_555 ? 63 AD3 5 MPD Y . ? MPD B 409 . ? 1_555 ? 64 AD3 5 HOH VA . ? HOH B 586 . ? 1_555 ? 65 AD4 7 ASP B 14 ? ASP B 13 . ? 1_555 ? 66 AD4 7 SER B 166 ? SER B 165 . ? 1_555 ? 67 AD4 7 VAL B 201 ? VAL B 200 . ? 1_555 ? 68 AD4 7 THR B 204 ? THR B 203 . ? 1_555 ? 69 AD4 7 LEU B 237 ? LEU B 236 . ? 1_555 ? 70 AD4 7 MPD X . ? MPD B 408 . ? 1_555 ? 71 AD4 7 HOH VA . ? HOH B 528 . ? 1_555 ? 72 AD5 9 CYS C 33 ? CYS C 32 . ? 1_555 ? 73 AD5 9 SER C 34 ? SER C 33 . ? 1_555 ? 74 AD5 9 PHE C 41 ? PHE C 40 . ? 1_555 ? 75 AD5 9 CYS C 57 ? CYS C 56 . ? 1_555 ? 76 AD5 9 ASN C 61 ? ASN C 60 . ? 1_555 ? 77 AD5 9 HOH WA . ? HOH C 581 . ? 1_555 ? 78 AD5 9 HOH WA . ? HOH C 607 . ? 1_555 ? 79 AD5 9 HOH WA . ? HOH C 681 . ? 1_555 ? 80 AD5 9 HOH WA . ? HOH C 701 . ? 1_555 ? 81 AD6 3 GLN C 295 ? GLN C 294 . ? 1_555 ? 82 AD6 3 HIS C 348 ? HIS C 347 . ? 1_555 ? 83 AD6 3 GLN C 349 ? GLN C 348 . ? 1_555 ? 84 AD7 5 GLN C 181 ? GLN C 180 . ? 1_555 ? 85 AD7 5 GLY C 293 ? GLY C 292 . ? 1_555 ? 86 AD7 5 GLN C 346 ? GLN C 345 . ? 1_555 ? 87 AD7 5 GLU C 347 ? GLU C 346 . ? 1_555 ? 88 AD7 5 HIS C 348 ? HIS C 347 . ? 1_555 ? 89 AD8 6 ASP C 14 ? ASP C 13 . ? 1_555 ? 90 AD8 6 ASP C 212 ? ASP C 211 . ? 1_555 ? 91 AD8 6 GLN C 228 ? GLN C 227 . ? 1_555 ? 92 AD8 6 MPD HA . ? MPD C 409 . ? 1_555 ? 93 AD8 6 HOH WA . ? HOH C 726 . ? 1_555 ? 94 AD8 6 HOH WA . ? HOH C 767 . ? 1_555 ? 95 AD9 7 ASP C 14 ? ASP C 13 . ? 1_555 ? 96 AD9 7 SER C 166 ? SER C 165 . ? 1_555 ? 97 AD9 7 VAL C 201 ? VAL C 200 . ? 1_555 ? 98 AD9 7 THR C 204 ? THR C 203 . ? 1_555 ? 99 AD9 7 MPD GA . ? MPD C 408 . ? 1_555 ? 100 AD9 7 HOH WA . ? HOH C 545 . ? 1_555 ? 101 AD9 7 HOH WA . ? HOH C 767 . ? 1_555 ? 102 AE1 7 ARG C 146 ? ARG C 145 . ? 1_555 ? 103 AE1 7 PRO C 180 ? PRO C 179 . ? 1_555 ? 104 AE1 7 ALA C 182 ? ALA C 181 . ? 1_555 ? 105 AE1 7 GLN D 74 ? GLN D 73 . ? 1_555 ? 106 AE1 7 HOH XA . ? HOH D 614 . ? 1_555 ? 107 AE1 7 HOH XA . ? HOH D 716 . ? 1_555 ? 108 AE1 7 HOH XA . ? HOH D 731 . ? 1_555 ? 109 AE2 6 CYS D 33 ? CYS D 32 . ? 1_555 ? 110 AE2 6 SER D 34 ? SER D 33 . ? 1_555 ? 111 AE2 6 ASN D 61 ? ASN D 60 . ? 1_555 ? 112 AE2 6 HOH XA . ? HOH D 565 . ? 1_555 ? 113 AE2 6 HOH XA . ? HOH D 574 . ? 1_555 ? 114 AE2 6 HOH XA . ? HOH D 607 . ? 1_555 ? 115 AE3 3 TYR D 31 ? TYR D 30 . ? 1_455 ? 116 AE3 3 GLN D 295 ? GLN D 294 . ? 1_555 ? 117 AE3 3 GLN D 349 ? GLN D 348 . ? 1_555 ? 118 AE4 5 GLN D 181 ? GLN D 180 . ? 1_555 ? 119 AE4 5 GLY D 293 ? GLY D 292 . ? 1_555 ? 120 AE4 5 GLN D 346 ? GLN D 345 . ? 1_555 ? 121 AE4 5 GLU D 347 ? GLU D 346 . ? 1_555 ? 122 AE4 5 HIS D 348 ? HIS D 347 . ? 1_555 ? 123 AE5 6 ASP D 14 ? ASP D 13 . ? 1_555 ? 124 AE5 6 ASP D 212 ? ASP D 211 . ? 1_555 ? 125 AE5 6 ARG D 215 ? ARG D 214 . ? 1_555 ? 126 AE5 6 GLN D 228 ? GLN D 227 . ? 1_555 ? 127 AE5 6 MPD RA . ? MPD D 410 . ? 1_555 ? 128 AE5 6 MPD TA . ? MPD D 412 . ? 1_555 ? 129 AE6 7 ASP D 14 ? ASP D 13 . ? 1_555 ? 130 AE6 7 SER D 166 ? SER D 165 . ? 1_555 ? 131 AE6 7 VAL D 201 ? VAL D 200 . ? 1_555 ? 132 AE6 7 LYS D 203 ? LYS D 202 . ? 1_555 ? 133 AE6 7 LEU D 237 ? LEU D 236 . ? 1_555 ? 134 AE6 7 MPD QA . ? MPD D 409 . ? 1_555 ? 135 AE6 7 HOH XA . ? HOH D 534 . ? 1_555 ? 136 AE7 2 ARG D 215 ? ARG D 214 . ? 1_555 ? 137 AE7 2 HOH XA . ? HOH D 641 . ? 1_555 ? 138 AE8 7 LEU D 15 ? LEU D 14 . ? 1_555 ? 139 AE8 7 TRP D 58 ? TRP D 57 . ? 1_555 ? 140 AE8 7 ILE D 216 ? ILE D 215 . ? 1_555 ? 141 AE8 7 ILE D 224 ? ILE D 223 . ? 1_555 ? 142 AE8 7 GLN D 227 ? GLN D 226 . ? 1_555 ? 143 AE8 7 GLN D 228 ? GLN D 227 . ? 1_555 ? 144 AE8 7 MPD QA . ? MPD D 409 . ? 1_555 ? 145 AE9 6 ASN A 67 ? ASN A 66 . ? 1_555 ? 146 AE9 6 GLN A 74 ? GLN A 73 . ? 1_555 ? 147 AE9 6 HOH UA . ? HOH A 648 . ? 1_555 ? 148 AE9 6 HOH UA . ? HOH A 679 . ? 1_555 ? 149 AE9 6 HOH UA . ? HOH A 731 . ? 1_555 ? 150 AE9 6 HOH UA . ? HOH A 772 . ? 1_555 ? 151 AF1 7 ASN A 241 ? ASN A 240 . ? 1_555 ? 152 AF1 7 GLU A 283 ? GLU A 282 . ? 1_555 ? 153 AF1 7 HOH UA . ? HOH A 515 . ? 1_555 ? 154 AF1 7 HOH UA . ? HOH A 649 . ? 1_555 ? 155 AF1 7 HOH UA . ? HOH A 718 . ? 1_555 ? 156 AF1 7 ARG C 264 ? ARG C 263 . ? 1_556 ? 157 AF1 7 GLN C 268 ? GLN C 267 . ? 1_556 ? 158 AF2 20 GLN A 252 ? GLN A 251 . ? 1_555 ? 159 AF2 20 THR A 255 ? THR A 254 . ? 1_555 ? 160 AF2 20 ILE A 256 ? ILE A 255 . ? 1_555 ? 161 AF2 20 ASN A 257 ? ASN A 256 . ? 1_555 ? 162 AF2 20 HOH UA . ? HOH A 501 . ? 1_555 ? 163 AF2 20 HOH UA . ? HOH A 502 . ? 1_555 ? 164 AF2 20 HOH UA . ? HOH A 503 . ? 1_555 ? 165 AF2 20 HOH UA . ? HOH A 504 . ? 1_555 ? 166 AF2 20 GLN B 252 ? GLN B 251 . ? 1_545 ? 167 AF2 20 ASN B 257 ? ASN B 256 . ? 1_545 ? 168 AF2 20 TYR B 311 ? TYR B 310 . ? 1_545 ? 169 AF2 20 NAG S . ? NAG B 403 . ? 1_545 ? 170 AF2 20 HOH VA . ? HOH B 501 . ? 1_545 ? 171 AF2 20 THR C 255 ? THR C 254 . ? 1_556 ? 172 AF2 20 ILE C 256 ? ILE C 255 . ? 1_556 ? 173 AF2 20 ASN C 257 ? ASN C 256 . ? 1_556 ? 174 AF2 20 NAG BA . ? NAG C 403 . ? 1_556 ? 175 AF2 20 HOH WA . ? HOH C 501 . ? 1_556 ? 176 AF2 20 HOH WA . ? HOH C 507 . ? 1_556 ? 177 AF2 20 NAG LA . ? NAG D 404 . ? 1_546 ? 178 AF3 9 LEU A 355 ? LEU A 354 . ? 1_555 ? 179 AF3 9 PRO A 356 ? PRO A 355 . ? 1_555 ? 180 AF3 9 SER A 358 ? SER A 357 . ? 1_555 ? 181 AF3 9 ASN A 366 ? ASN A 365 . ? 1_555 ? 182 AF3 9 THR A 368 ? THR A 367 . ? 1_555 ? 183 AF3 9 HOH UA . ? HOH A 599 . ? 1_555 ? 184 AF3 9 HOH UA . ? HOH A 600 . ? 1_555 ? 185 AF3 9 HOH UA . ? HOH A 690 . ? 1_555 ? 186 AF3 9 HOH UA . ? HOH A 727 . ? 1_555 ? 187 AF4 2 ASN B 67 ? ASN B 66 . ? 1_555 ? 188 AF4 2 GLN B 74 ? GLN B 73 . ? 1_555 ? 189 AF5 8 ASN B 241 ? ASN B 240 . ? 1_555 ? 190 AF5 8 GLU B 283 ? GLU B 282 . ? 1_555 ? 191 AF5 8 HOH VA . ? HOH B 502 . ? 1_555 ? 192 AF5 8 HOH VA . ? HOH B 504 . ? 1_555 ? 193 AF5 8 HOH VA . ? HOH B 518 . ? 1_555 ? 194 AF5 8 HOH VA . ? HOH B 654 . ? 1_555 ? 195 AF5 8 ARG D 264 ? ARG D 263 . ? 1_556 ? 196 AF5 8 GLN D 268 ? GLN D 267 . ? 1_556 ? 197 AF6 17 TYR A 311 ? TYR A 310 . ? 1_565 ? 198 AF6 17 NAG G . ? NAG A 403 . ? 1_565 ? 199 AF6 17 HOH UA . ? HOH A 505 . ? 1_565 ? 200 AF6 17 VAL B 249 ? VAL B 248 . ? 1_555 ? 201 AF6 17 GLN B 252 ? GLN B 251 . ? 1_555 ? 202 AF6 17 THR B 255 ? THR B 254 . ? 1_555 ? 203 AF6 17 ILE B 256 ? ILE B 255 . ? 1_555 ? 204 AF6 17 ASN B 257 ? ASN B 256 . ? 1_555 ? 205 AF6 17 HOH VA . ? HOH B 501 . ? 1_555 ? 206 AF6 17 HOH VA . ? HOH B 503 . ? 1_555 ? 207 AF6 17 HOH VA . ? HOH B 543 . ? 1_555 ? 208 AF6 17 NAG BA . ? NAG C 403 . ? 1_566 ? 209 AF6 17 HOH WA . ? HOH C 507 . ? 1_566 ? 210 AF6 17 THR D 255 ? THR D 254 . ? 1_556 ? 211 AF6 17 ASN D 257 ? ASN D 256 . ? 1_556 ? 212 AF6 17 NAG LA . ? NAG D 404 . ? 1_556 ? 213 AF6 17 HOH XA . ? HOH D 503 . ? 1_556 ? 214 AF7 7 LEU B 355 ? LEU B 354 . ? 1_555 ? 215 AF7 7 PRO B 356 ? PRO B 355 . ? 1_555 ? 216 AF7 7 ASN B 366 ? ASN B 365 . ? 1_555 ? 217 AF7 7 THR B 368 ? THR B 367 . ? 1_555 ? 218 AF7 7 HOH VA . ? HOH B 551 . ? 1_555 ? 219 AF7 7 HOH VA . ? HOH B 569 . ? 1_555 ? 220 AF7 7 HOH VA . ? HOH B 647 . ? 1_555 ? 221 AF8 3 ASN C 67 ? ASN C 66 . ? 1_555 ? 222 AF8 3 SER C 70 ? SER C 69 . ? 1_555 ? 223 AF8 3 GLN C 74 ? GLN C 73 . ? 1_555 ? 224 AF9 6 ARG A 264 ? ARG A 263 . ? 1_554 ? 225 AF9 6 GLN A 268 ? GLN A 267 . ? 1_554 ? 226 AF9 6 ASN C 241 ? ASN C 240 . ? 1_555 ? 227 AF9 6 GLU C 283 ? GLU C 282 . ? 1_555 ? 228 AF9 6 HOH WA . ? HOH C 502 . ? 1_555 ? 229 AF9 6 HOH WA . ? HOH C 503 . ? 1_555 ? 230 AG1 12 ASN A 257 ? ASN A 256 . ? 1_554 ? 231 AG1 12 NAG G . ? NAG A 403 . ? 1_554 ? 232 AG1 12 HOH UA . ? HOH A 501 . ? 1_554 ? 233 AG1 12 HOH UA . ? HOH A 504 . ? 1_554 ? 234 AG1 12 NAG S . ? NAG B 403 . ? 1_544 ? 235 AG1 12 VAL C 249 ? VAL C 248 . ? 1_555 ? 236 AG1 12 GLN C 252 ? GLN C 251 . ? 1_555 ? 237 AG1 12 THR C 255 ? THR C 254 . ? 1_555 ? 238 AG1 12 ILE C 256 ? ILE C 255 . ? 1_555 ? 239 AG1 12 ASN C 257 ? ASN C 256 . ? 1_555 ? 240 AG1 12 HOH WA . ? HOH C 501 . ? 1_555 ? 241 AG1 12 NAG LA . ? NAG D 404 . ? 1_545 ? 242 AG2 8 LEU C 355 ? LEU C 354 . ? 1_555 ? 243 AG2 8 PRO C 356 ? PRO C 355 . ? 1_555 ? 244 AG2 8 SER C 358 ? SER C 357 . ? 1_555 ? 245 AG2 8 ASN C 366 ? ASN C 365 . ? 1_555 ? 246 AG2 8 HOH WA . ? HOH C 571 . ? 1_555 ? 247 AG2 8 HOH WA . ? HOH C 593 . ? 1_555 ? 248 AG2 8 HOH WA . ? HOH C 672 . ? 1_555 ? 249 AG2 8 HOH WA . ? HOH C 733 . ? 1_555 ? 250 AG3 6 ASN D 67 ? ASN D 66 . ? 1_555 ? 251 AG3 6 GLN D 74 ? GLN D 73 . ? 1_555 ? 252 AG3 6 HOH XA . ? HOH D 673 . ? 1_555 ? 253 AG3 6 HOH XA . ? HOH D 685 . ? 1_555 ? 254 AG3 6 HOH XA . ? HOH D 703 . ? 1_555 ? 255 AG3 6 HOH XA . ? HOH D 747 . ? 1_555 ? 256 AG4 7 ARG B 264 ? ARG B 263 . ? 1_554 ? 257 AG4 7 GLN B 268 ? GLN B 267 . ? 1_554 ? 258 AG4 7 ASN D 241 ? ASN D 240 . ? 1_555 ? 259 AG4 7 GLU D 283 ? GLU D 282 . ? 1_555 ? 260 AG4 7 HOH XA . ? HOH D 507 . ? 1_555 ? 261 AG4 7 HOH XA . ? HOH D 664 . ? 1_555 ? 262 AG4 7 HOH XA . ? HOH D 705 . ? 1_555 ? 263 AG5 20 NAG G . ? NAG A 403 . ? 1_564 ? 264 AG5 20 THR B 255 ? THR B 254 . ? 1_554 ? 265 AG5 20 ILE B 256 ? ILE B 255 . ? 1_554 ? 266 AG5 20 ASN B 257 ? ASN B 256 . ? 1_554 ? 267 AG5 20 NAG S . ? NAG B 403 . ? 1_554 ? 268 AG5 20 HOH VA . ? HOH B 501 . ? 1_554 ? 269 AG5 20 GLN C 252 ? GLN C 251 . ? 1_565 ? 270 AG5 20 THR C 253 ? THR C 252 . ? 1_565 ? 271 AG5 20 ASN C 257 ? ASN C 256 . ? 1_565 ? 272 AG5 20 TYR C 311 ? TYR C 310 . ? 1_565 ? 273 AG5 20 NAG BA . ? NAG C 403 . ? 1_565 ? 274 AG5 20 HOH WA . ? HOH C 501 . ? 1_565 ? 275 AG5 20 HOH WA . ? HOH C 507 . ? 1_565 ? 276 AG5 20 GLN D 252 ? GLN D 251 . ? 1_555 ? 277 AG5 20 THR D 255 ? THR D 254 . ? 1_555 ? 278 AG5 20 ILE D 256 ? ILE D 255 . ? 1_555 ? 279 AG5 20 ASN D 257 ? ASN D 256 . ? 1_555 ? 280 AG5 20 HOH XA . ? HOH D 501 . ? 1_555 ? 281 AG5 20 HOH XA . ? HOH D 502 . ? 1_555 ? 282 AG5 20 HOH XA . ? HOH D 503 . ? 1_555 ? 283 AG6 7 LEU D 355 ? LEU D 354 . ? 1_555 ? 284 AG6 7 PRO D 356 ? PRO D 355 . ? 1_555 ? 285 AG6 7 SER D 358 ? SER D 357 . ? 1_555 ? 286 AG6 7 ASN D 366 ? ASN D 365 . ? 1_555 ? 287 AG6 7 THR D 368 ? THR D 367 . ? 1_555 ? 288 AG6 7 HOH XA . ? HOH D 718 . ? 1_555 ? 289 AG6 7 HOH XA . ? HOH D 758 . ? 1_555 ? # _atom_sites.entry_id 4X90 _atom_sites.fract_transf_matrix[1][1] 0.015922 _atom_sites.fract_transf_matrix[1][2] -0.000416 _atom_sites.fract_transf_matrix[1][3] -0.000349 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.010975 _atom_sites.fract_transf_matrix[2][3] -0.002300 _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] 0.010194 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # loop_ _atom_type.symbol C CL N O P 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 . HIS A 1 5 ? -19.064 -9.150 0.934 1.00 30.16 ? 4 HIS A N 1 ATOM 2 C CA . HIS A 1 5 ? -18.358 -9.726 2.081 1.00 28.46 ? 4 HIS A CA 1 ATOM 3 C C . HIS A 1 5 ? -17.802 -8.678 3.014 1.00 26.13 ? 4 HIS A C 1 ATOM 4 O O . HIS A 1 5 ? -17.363 -7.626 2.601 1.00 27.47 ? 4 HIS A O 1 ATOM 5 C CB . HIS A 1 5 ? -17.238 -10.637 1.618 1.00 29.08 ? 4 HIS A CB 1 ATOM 6 C CG . HIS A 1 5 ? -16.191 -9.971 0.773 1.00 29.41 ? 4 HIS A CG 1 ATOM 7 N ND1 . HIS A 1 5 ? -15.932 -10.385 -0.512 1.00 31.29 ? 4 HIS A ND1 1 ATOM 8 C CD2 . HIS A 1 5 ? -15.300 -8.986 1.035 1.00 30.36 ? 4 HIS A CD2 1 ATOM 9 C CE1 . HIS A 1 5 ? -14.925 -9.688 -1.008 1.00 31.77 ? 4 HIS A CE1 1 ATOM 10 N NE2 . HIS A 1 5 ? -14.527 -8.822 -0.090 1.00 29.90 ? 4 HIS A NE2 1 ATOM 11 N N . PRO A 1 6 ? -17.731 -9.015 4.287 1.00 23.01 ? 5 PRO A N 1 ATOM 12 C CA . PRO A 1 6 ? -17.327 -7.980 5.232 1.00 21.81 ? 5 PRO A CA 1 ATOM 13 C C . PRO A 1 6 ? -15.807 -7.791 5.286 1.00 19.64 ? 5 PRO A C 1 ATOM 14 O O . PRO A 1 6 ? -15.057 -8.751 5.030 1.00 19.35 ? 5 PRO A O 1 ATOM 15 C CB . PRO A 1 6 ? -17.830 -8.533 6.552 1.00 22.43 ? 5 PRO A CB 1 ATOM 16 C CG . PRO A 1 6 ? -17.731 -10.012 6.379 1.00 23.49 ? 5 PRO A CG 1 ATOM 17 C CD . PRO A 1 6 ? -18.090 -10.283 4.944 1.00 23.85 ? 5 PRO A CD 1 ATOM 18 N N . PRO A 1 7 ? -15.357 -6.587 5.645 1.00 18.38 ? 6 PRO A N 1 ATOM 19 C CA . PRO A 1 7 ? -13.906 -6.394 5.876 1.00 17.41 ? 6 PRO A CA 1 ATOM 20 C C . PRO A 1 7 ? -13.365 -7.301 6.984 1.00 17.30 ? 6 PRO A C 1 ATOM 21 O O . PRO A 1 7 ? -14.080 -7.615 7.935 1.00 16.25 ? 6 PRO A O 1 ATOM 22 C CB . PRO A 1 7 ? -13.765 -4.892 6.211 1.00 17.73 ? 6 PRO A CB 1 ATOM 23 C CG . PRO A 1 7 ? -15.153 -4.300 6.177 1.00 19.03 ? 6 PRO A CG 1 ATOM 24 C CD . PRO A 1 7 ? -16.160 -5.399 5.977 1.00 18.71 ? 6 PRO A CD 1 ATOM 25 N N . VAL A 1 8 ? -12.090 -7.665 6.873 1.00 15.99 ? 7 VAL A N 1 ATOM 26 C CA . VAL A 1 8 ? -11.453 -8.610 7.770 1.00 15.29 ? 7 VAL A CA 1 ATOM 27 C C . VAL A 1 8 ? -10.165 -8.010 8.328 1.00 14.61 ? 7 VAL A C 1 ATOM 28 O O . VAL A 1 8 ? -9.363 -7.464 7.560 1.00 13.71 ? 7 VAL A O 1 ATOM 29 C CB . VAL A 1 8 ? -11.127 -9.918 7.033 1.00 15.53 ? 7 VAL A CB 1 ATOM 30 C CG1 . VAL A 1 8 ? -10.255 -10.833 7.860 1.00 15.96 ? 7 VAL A CG1 1 ATOM 31 C CG2 . VAL A 1 8 ? -12.414 -10.664 6.662 1.00 16.65 ? 7 VAL A CG2 1 ATOM 32 N N . VAL A 1 9 ? -9.978 -8.150 9.642 1.00 14.13 ? 8 VAL A N 1 ATOM 33 C CA . VAL A 1 9 ? -8.720 -7.801 10.301 1.00 15.12 ? 8 VAL A CA 1 ATOM 34 C C . VAL A 1 9 ? -8.131 -9.067 10.930 1.00 15.20 ? 8 VAL A C 1 ATOM 35 O O . VAL A 1 9 ? -8.828 -9.799 11.641 1.00 15.01 ? 8 VAL A O 1 ATOM 36 C CB . VAL A 1 9 ? -8.917 -6.703 11.369 1.00 15.49 ? 8 VAL A CB 1 ATOM 37 C CG1 . VAL A 1 9 ? -7.648 -6.498 12.185 1.00 15.42 ? 8 VAL A CG1 1 ATOM 38 C CG2 . VAL A 1 9 ? -9.364 -5.378 10.720 1.00 16.44 ? 8 VAL A CG2 1 ATOM 39 N N . LEU A 1 10 ? -6.873 -9.329 10.614 1.00 14.51 ? 9 LEU A N 1 ATOM 40 C CA . LEU A 1 10 ? -6.151 -10.498 11.076 1.00 14.51 ? 9 LEU A CA 1 ATOM 41 C C . LEU A 1 10 ? -5.240 -10.124 12.243 1.00 14.37 ? 9 LEU A C 1 ATOM 42 O O . LEU A 1 10 ? -4.440 -9.160 12.150 1.00 13.86 ? 9 LEU A O 1 ATOM 43 C CB . LEU A 1 10 ? -5.314 -11.089 9.932 1.00 15.04 ? 9 LEU A CB 1 ATOM 44 C CG . LEU A 1 10 ? -6.026 -11.390 8.607 1.00 15.52 ? 9 LEU A CG 1 ATOM 45 C CD1 . LEU A 1 10 ? -5.053 -11.816 7.537 1.00 16.44 ? 9 LEU A CD1 1 ATOM 46 C CD2 . LEU A 1 10 ? -7.098 -12.466 8.779 1.00 16.18 ? 9 LEU A CD2 1 ATOM 47 N N . VAL A 1 11 ? -5.341 -10.887 13.332 1.00 13.74 ? 10 VAL A N 1 ATOM 48 C CA . VAL A 1 11 ? -4.566 -10.619 14.559 1.00 13.10 ? 10 VAL A CA 1 ATOM 49 C C . VAL A 1 11 ? -3.726 -11.842 14.867 1.00 13.28 ? 10 VAL A C 1 ATOM 50 O O . VAL A 1 11 ? -4.260 -12.918 15.116 1.00 12.83 ? 10 VAL A O 1 ATOM 51 C CB . VAL A 1 11 ? -5.459 -10.266 15.764 1.00 13.04 ? 10 VAL A CB 1 ATOM 52 C CG1 . VAL A 1 11 ? -4.612 -9.853 16.961 1.00 12.85 ? 10 VAL A CG1 1 ATOM 53 C CG2 . VAL A 1 11 ? -6.454 -9.169 15.408 1.00 13.93 ? 10 VAL A CG2 1 ATOM 54 N N . PRO A 1 12 ? -2.393 -11.688 14.829 1.00 12.89 ? 11 PRO A N 1 ATOM 55 C CA . PRO A 1 12 ? -1.514 -12.839 14.980 1.00 13.10 ? 11 PRO A CA 1 ATOM 56 C C . PRO A 1 12 ? -1.232 -13.202 16.442 1.00 13.54 ? 11 PRO A C 1 ATOM 57 O O . PRO A 1 12 ? -1.556 -12.448 17.331 1.00 13.29 ? 11 PRO A O 1 ATOM 58 C CB . PRO A 1 12 ? -0.221 -12.358 14.340 1.00 12.97 ? 11 PRO A CB 1 ATOM 59 C CG . PRO A 1 12 ? -0.191 -10.889 14.632 1.00 13.05 ? 11 PRO A CG 1 ATOM 60 C CD . PRO A 1 12 ? -1.632 -10.459 14.533 1.00 13.08 ? 11 PRO A CD 1 ATOM 61 N N . GLY A 1 13 ? -0.573 -14.338 16.645 1.00 14.36 ? 12 GLY A N 1 ATOM 62 C CA . GLY A 1 13 ? -0.168 -14.748 17.951 1.00 15.02 ? 12 GLY A CA 1 ATOM 63 C C . GLY A 1 13 ? 1.270 -14.395 18.249 1.00 15.76 ? 12 GLY A C 1 ATOM 64 O O . GLY A 1 13 ? 1.915 -13.612 17.531 1.00 15.82 ? 12 GLY A O 1 ATOM 65 N N . ASP A 1 14 ? 1.771 -14.989 19.331 1.00 16.06 ? 13 ASP A N 1 ATOM 66 C CA . ASP A 1 14 ? 3.173 -14.846 19.730 1.00 17.28 ? 13 ASP A CA 1 ATOM 67 C C . ASP A 1 14 ? 4.083 -15.322 18.593 1.00 17.05 ? 13 ASP A C 1 ATOM 68 O O . ASP A 1 14 ? 3.832 -16.343 17.959 1.00 17.49 ? 13 ASP A O 1 ATOM 69 C CB . ASP A 1 14 ? 3.394 -15.648 21.032 1.00 18.47 ? 13 ASP A CB 1 ATOM 70 C CG . ASP A 1 14 ? 4.583 -15.172 21.859 1.00 20.69 ? 13 ASP A CG 1 ATOM 71 O OD1 . ASP A 1 14 ? 5.360 -14.260 21.449 1.00 19.72 ? 13 ASP A OD1 1 ATOM 72 O OD2 . ASP A 1 14 ? 4.730 -15.738 22.982 1.00 22.52 ? 13 ASP A OD2 1 ATOM 73 N N . LEU A 1 15 ? 5.147 -14.567 18.333 1.00 16.90 ? 14 LEU A N 1 ATOM 74 C CA . LEU A 1 15 ? 6.071 -14.838 17.224 1.00 17.68 ? 14 LEU A CA 1 ATOM 75 C C . LEU A 1 15 ? 5.437 -14.629 15.846 1.00 16.22 ? 14 LEU A C 1 ATOM 76 O O . LEU A 1 15 ? 6.036 -14.993 14.844 1.00 15.90 ? 14 LEU A O 1 ATOM 77 C CB . LEU A 1 15 ? 6.653 -16.259 17.287 1.00 19.09 ? 14 LEU A CB 1 ATOM 78 C CG . LEU A 1 15 ? 7.226 -16.775 18.610 1.00 22.08 ? 14 LEU A CG 1 ATOM 79 C CD1 . LEU A 1 15 ? 7.781 -18.176 18.405 1.00 22.51 ? 14 LEU A CD1 1 ATOM 80 C CD2 . LEU A 1 15 ? 8.303 -15.844 19.105 1.00 22.72 ? 14 LEU A CD2 1 ATOM 81 N N . GLY A 1 16 ? 4.244 -14.047 15.811 1.00 14.73 ? 15 GLY A N 1 ATOM 82 C CA . GLY A 1 16 ? 3.381 -14.155 14.653 1.00 14.47 ? 15 GLY A CA 1 ATOM 83 C C . GLY A 1 16 ? 3.432 -13.010 13.658 1.00 14.58 ? 15 GLY A C 1 ATOM 84 O O . GLY A 1 16 ? 2.596 -12.945 12.752 1.00 14.12 ? 15 GLY A O 1 ATOM 85 N N . ASN A 1 17 ? 4.411 -12.113 13.801 1.00 13.59 ? 16 ASN A N 1 ATOM 86 C CA . ASN A 1 17 ? 4.686 -11.142 12.748 1.00 13.62 ? 16 ASN A CA 1 ATOM 87 C C . ASN A 1 17 ? 6.146 -10.759 12.754 1.00 14.28 ? 16 ASN A C 1 ATOM 88 O O . ASN A 1 17 ? 6.852 -10.939 13.762 1.00 13.50 ? 16 ASN A O 1 ATOM 89 C CB . ASN A 1 17 ? 3.761 -9.920 12.800 1.00 13.64 ? 16 ASN A CB 1 ATOM 90 C CG . ASN A 1 17 ? 3.703 -9.248 14.163 1.00 13.87 ? 16 ASN A CG 1 ATOM 91 O OD1 . ASN A 1 17 ? 2.671 -9.305 14.863 1.00 14.37 ? 16 ASN A OD1 1 ATOM 92 N ND2 . ASN A 1 17 ? 4.784 -8.599 14.551 1.00 13.86 ? 16 ASN A ND2 1 ATOM 93 N N . GLN A 1 18 ? 6.591 -10.232 11.627 1.00 14.81 ? 17 GLN A N 1 ATOM 94 C CA . GLN A 1 18 ? 7.958 -9.768 11.528 1.00 15.06 ? 17 GLN A CA 1 ATOM 95 C C . GLN A 1 18 ? 8.239 -8.666 12.556 1.00 15.23 ? 17 GLN A C 1 ATOM 96 O O . GLN A 1 18 ? 7.345 -7.913 12.921 1.00 13.79 ? 17 GLN A O 1 ATOM 97 C CB . GLN A 1 18 ? 8.224 -9.210 10.137 1.00 16.23 ? 17 GLN A CB 1 ATOM 98 C CG . GLN A 1 18 ? 8.124 -10.228 9.023 1.00 17.03 ? 17 GLN A CG 1 ATOM 99 C CD . GLN A 1 18 ? 8.356 -9.615 7.644 1.00 18.92 ? 17 GLN A CD 1 ATOM 100 O OE1 . GLN A 1 18 ? 8.943 -8.528 7.511 1.00 17.87 ? 17 GLN A OE1 1 ATOM 101 N NE2 . GLN A 1 18 ? 7.890 -10.302 6.628 1.00 17.95 ? 17 GLN A NE2 1 ATOM 102 N N . LEU A 1 19 ? 9.512 -8.565 12.968 1.00 15.63 ? 18 LEU A N 1 ATOM 103 C CA . LEU A 1 19 ? 10.028 -7.441 13.734 1.00 15.49 ? 18 LEU A CA 1 ATOM 104 C C . LEU A 1 19 ? 11.328 -6.978 13.098 1.00 16.71 ? 18 LEU A C 1 ATOM 105 O O . LEU A 1 19 ? 12.094 -7.790 12.578 1.00 16.23 ? 18 LEU A O 1 ATOM 106 C CB . LEU A 1 19 ? 10.299 -7.809 15.200 1.00 16.12 ? 18 LEU A CB 1 ATOM 107 C CG . LEU A 1 19 ? 9.118 -8.234 16.079 1.00 16.71 ? 18 LEU A CG 1 ATOM 108 C CD1 . LEU A 1 19 ? 9.609 -8.618 17.472 1.00 17.37 ? 18 LEU A CD1 1 ATOM 109 C CD2 . LEU A 1 19 ? 8.073 -7.147 16.178 1.00 16.77 ? 18 LEU A CD2 1 ATOM 110 N N . GLU A 1 20 ? 11.561 -5.673 13.141 1.00 16.80 ? 19 GLU A N 1 ATOM 111 C CA . GLU A 1 20 ? 12.756 -5.068 12.558 1.00 18.51 ? 19 GLU A CA 1 ATOM 112 C C . GLU A 1 20 ? 13.526 -4.311 13.632 1.00 18.25 ? 19 GLU A C 1 ATOM 113 O O . GLU A 1 20 ? 12.905 -3.778 14.557 1.00 18.28 ? 19 GLU A O 1 ATOM 114 C CB . GLU A 1 20 ? 12.355 -4.083 11.455 1.00 20.17 ? 19 GLU A CB 1 ATOM 115 C CG . GLU A 1 20 ? 11.842 -4.770 10.218 1.00 22.34 ? 19 GLU A CG 1 ATOM 116 C CD . GLU A 1 20 ? 11.305 -3.852 9.147 1.00 23.99 ? 19 GLU A CD 1 ATOM 117 O OE1 . GLU A 1 20 ? 11.125 -2.638 9.394 1.00 24.74 ? 19 GLU A OE1 1 ATOM 118 O OE2 . GLU A 1 20 ? 11.032 -4.383 8.044 1.00 25.98 ? 19 GLU A OE2 1 ATOM 119 N N . ALA A 1 21 ? 14.851 -4.249 13.501 1.00 17.32 ? 20 ALA A N 1 ATOM 120 C CA . ALA A 1 21 ? 15.665 -3.542 14.460 1.00 17.56 ? 20 ALA A CA 1 ATOM 121 C C . ALA A 1 21 ? 16.643 -2.597 13.768 1.00 18.92 ? 20 ALA A C 1 ATOM 122 O O . ALA A 1 21 ? 17.052 -2.829 12.630 1.00 18.66 ? 20 ALA A O 1 ATOM 123 C CB . ALA A 1 21 ? 16.416 -4.506 15.345 1.00 17.95 ? 20 ALA A CB 1 ATOM 124 N N . LYS A 1 22 ? 17.005 -1.539 14.477 1.00 19.60 ? 21 LYS A N 1 ATOM 125 C CA . LYS A 1 22 ? 18.070 -0.627 14.060 1.00 21.08 ? 21 LYS A CA 1 ATOM 126 C C . LYS A 1 22 ? 18.989 -0.417 15.232 1.00 21.35 ? 21 LYS A C 1 ATOM 127 O O . LYS A 1 22 ? 18.540 -0.306 16.369 1.00 20.43 ? 21 LYS A O 1 ATOM 128 C CB . LYS A 1 22 ? 17.481 0.702 13.568 1.00 23.04 ? 21 LYS A CB 1 ATOM 129 C CG . LYS A 1 22 ? 18.522 1.714 13.109 1.00 25.93 ? 21 LYS A CG 1 ATOM 130 C CD . LYS A 1 22 ? 17.869 2.974 12.561 1.00 29.59 ? 21 LYS A CD 1 ATOM 131 C CE . LYS A 1 22 ? 18.921 3.920 12.004 1.00 35.74 ? 21 LYS A CE 1 ATOM 132 N NZ . LYS A 1 22 ? 18.283 5.009 11.198 1.00 39.15 ? 21 LYS A NZ 1 ATOM 133 N N . LEU A 1 23 ? 20.299 -0.397 14.973 1.00 21.63 ? 22 LEU A N 1 ATOM 134 C CA . LEU A 1 23 ? 21.276 -0.465 16.034 1.00 21.76 ? 22 LEU A CA 1 ATOM 135 C C . LEU A 1 23 ? 22.218 0.730 16.055 1.00 22.81 ? 22 LEU A C 1 ATOM 136 O O . LEU A 1 23 ? 22.643 1.206 15.014 1.00 22.38 ? 22 LEU A O 1 ATOM 137 C CB . LEU A 1 23 ? 22.137 -1.728 15.881 1.00 22.25 ? 22 LEU A CB 1 ATOM 138 C CG . LEU A 1 23 ? 21.425 -3.048 15.666 1.00 21.96 ? 22 LEU A CG 1 ATOM 139 C CD1 . LEU A 1 23 ? 22.439 -4.155 15.456 1.00 22.73 ? 22 LEU A CD1 1 ATOM 140 C CD2 . LEU A 1 23 ? 20.476 -3.365 16.817 1.00 21.72 ? 22 LEU A CD2 1 ATOM 141 N N . ASP A 1 24 ? 22.548 1.173 17.262 1.00 24.31 ? 23 ASP A N 1 ATOM 142 C CA . ASP A 1 24 ? 23.721 2.053 17.527 1.00 26.48 ? 23 ASP A CA 1 ATOM 143 C C . ASP A 1 24 ? 24.189 1.764 18.962 1.00 26.63 ? 23 ASP A C 1 ATOM 144 O O . ASP A 1 24 ? 24.000 2.565 19.880 1.00 26.10 ? 23 ASP A O 1 ATOM 145 C CB . ASP A 1 24 ? 23.346 3.522 17.347 1.00 29.19 ? 23 ASP A CB 1 ATOM 146 C CG . ASP A 1 24 ? 24.557 4.455 17.381 1.00 33.78 ? 23 ASP A CG 1 ATOM 147 O OD1 . ASP A 1 24 ? 25.718 3.976 17.440 1.00 35.05 ? 23 ASP A OD1 1 ATOM 148 O OD2 . ASP A 1 24 ? 24.339 5.688 17.338 1.00 39.17 ? 23 ASP A OD2 1 ATOM 149 N N . LYS A 1 25 ? 24.763 0.585 19.153 1.00 25.59 ? 24 LYS A N 1 ATOM 150 C CA . LYS A 1 25 ? 25.007 0.037 20.475 1.00 26.49 ? 24 LYS A CA 1 ATOM 151 C C . LYS A 1 25 ? 26.362 0.483 20.998 1.00 28.05 ? 24 LYS A C 1 ATOM 152 O O . LYS A 1 25 ? 27.305 0.569 20.229 1.00 27.38 ? 24 LYS A O 1 ATOM 153 C CB . LYS A 1 25 ? 24.993 -1.493 20.418 1.00 26.29 ? 24 LYS A CB 1 ATOM 154 C CG . LYS A 1 25 ? 23.669 -2.083 19.943 1.00 25.93 ? 24 LYS A CG 1 ATOM 155 C CD . LYS A 1 25 ? 23.842 -3.508 19.421 1.00 26.58 ? 24 LYS A CD 1 ATOM 156 C CE . LYS A 1 25 ? 24.157 -4.517 20.517 1.00 26.06 ? 24 LYS A CE 1 ATOM 157 N NZ . LYS A 1 25 ? 23.013 -4.848 21.398 1.00 25.34 ? 24 LYS A NZ 1 ATOM 158 N N . PRO A 1 26 ? 26.460 0.748 22.303 1.00 30.25 ? 25 PRO A N 1 ATOM 159 C CA . PRO A 1 26 ? 27.773 1.122 22.851 1.00 32.47 ? 25 PRO A CA 1 ATOM 160 C C . PRO A 1 26 ? 28.762 -0.048 22.884 1.00 32.66 ? 25 PRO A C 1 ATOM 161 O O . PRO A 1 26 ? 29.962 0.171 22.747 1.00 33.25 ? 25 PRO A O 1 ATOM 162 C CB . PRO A 1 26 ? 27.447 1.614 24.271 1.00 32.75 ? 25 PRO A CB 1 ATOM 163 C CG . PRO A 1 26 ? 26.118 1.084 24.589 1.00 32.47 ? 25 PRO A CG 1 ATOM 164 C CD . PRO A 1 26 ? 25.376 0.899 23.290 1.00 30.85 ? 25 PRO A CD 1 ATOM 165 N N . THR A 1 27 ? 28.257 -1.259 23.114 1.00 31.44 ? 26 THR A N 1 ATOM 166 C CA . THR A 1 27 ? 29.080 -2.457 23.187 1.00 33.60 ? 26 THR A CA 1 ATOM 167 C C . THR A 1 27 ? 28.346 -3.634 22.564 1.00 31.86 ? 26 THR A C 1 ATOM 168 O O . THR A 1 27 ? 27.111 -3.627 22.465 1.00 28.81 ? 26 THR A O 1 ATOM 169 C CB . THR A 1 27 ? 29.430 -2.842 24.654 1.00 36.07 ? 26 THR A CB 1 ATOM 170 O OG1 . THR A 1 27 ? 28.233 -3.133 25.378 1.00 39.27 ? 26 THR A OG1 1 ATOM 171 C CG2 . THR A 1 27 ? 30.158 -1.722 25.360 1.00 38.96 ? 26 THR A CG2 1 ATOM 172 N N . VAL A 1 28 ? 29.102 -4.663 22.183 1.00 30.74 ? 27 VAL A N 1 ATOM 173 C CA . VAL A 1 28 ? 28.498 -5.923 21.705 1.00 29.83 ? 27 VAL A CA 1 ATOM 174 C C . VAL A 1 28 ? 29.071 -7.102 22.483 1.00 28.66 ? 27 VAL A C 1 ATOM 175 O O . VAL A 1 28 ? 30.147 -7.004 23.062 1.00 27.62 ? 27 VAL A O 1 ATOM 176 C CB . VAL A 1 28 ? 28.722 -6.145 20.194 1.00 30.39 ? 27 VAL A CB 1 ATOM 177 C CG1 . VAL A 1 28 ? 27.841 -5.215 19.375 1.00 30.74 ? 27 VAL A CG1 1 ATOM 178 C CG2 . VAL A 1 28 ? 30.201 -5.967 19.821 1.00 31.47 ? 27 VAL A CG2 1 ATOM 179 N N . VAL A 1 29 ? 28.351 -8.217 22.497 1.00 26.76 ? 28 VAL A N 1 ATOM 180 C CA . VAL A 1 29 ? 28.788 -9.381 23.268 1.00 27.96 ? 28 VAL A CA 1 ATOM 181 C C . VAL A 1 29 ? 29.864 -10.225 22.568 1.00 27.91 ? 28 VAL A C 1 ATOM 182 O O . VAL A 1 29 ? 30.608 -10.941 23.239 1.00 28.22 ? 28 VAL A O 1 ATOM 183 C CB . VAL A 1 29 ? 27.602 -10.283 23.701 1.00 27.58 ? 28 VAL A CB 1 ATOM 184 C CG1 . VAL A 1 29 ? 26.625 -9.484 24.551 1.00 28.03 ? 28 VAL A CG1 1 ATOM 185 C CG2 . VAL A 1 29 ? 26.903 -10.900 22.510 1.00 27.58 ? 28 VAL A CG2 1 ATOM 186 N N . HIS A 1 30 ? 29.925 -10.159 21.236 1.00 28.22 ? 29 HIS A N 1 ATOM 187 C CA . HIS A 1 30 ? 30.993 -10.781 20.447 1.00 29.78 ? 29 HIS A CA 1 ATOM 188 C C . HIS A 1 30 ? 31.391 -9.813 19.355 1.00 29.06 ? 29 HIS A C 1 ATOM 189 O O . HIS A 1 30 ? 30.560 -9.035 18.854 1.00 26.72 ? 29 HIS A O 1 ATOM 190 C CB . HIS A 1 30 ? 30.554 -12.096 19.758 1.00 30.09 ? 29 HIS A CB 1 ATOM 191 C CG . HIS A 1 30 ? 30.039 -13.145 20.690 1.00 29.99 ? 29 HIS A CG 1 ATOM 192 N ND1 . HIS A 1 30 ? 30.754 -13.601 21.773 1.00 30.62 ? 29 HIS A ND1 1 ATOM 193 C CD2 . HIS A 1 30 ? 28.862 -13.818 20.707 1.00 30.47 ? 29 HIS A CD2 1 ATOM 194 C CE1 . HIS A 1 30 ? 30.045 -14.508 22.427 1.00 30.94 ? 29 HIS A CE1 1 ATOM 195 N NE2 . HIS A 1 30 ? 28.890 -14.659 21.798 1.00 31.60 ? 29 HIS A NE2 1 ATOM 196 N N . TYR A 1 31 ? 32.640 -9.904 18.919 1.00 29.29 ? 30 TYR A N 1 ATOM 197 C CA . TYR A 1 31 ? 33.112 -9.083 17.800 1.00 30.28 ? 30 TYR A CA 1 ATOM 198 C C . TYR A 1 31 ? 32.382 -9.319 16.488 1.00 31.34 ? 30 TYR A C 1 ATOM 199 O O . TYR A 1 31 ? 32.300 -8.424 15.666 1.00 32.36 ? 30 TYR A O 1 ATOM 200 C CB . TYR A 1 31 ? 34.625 -9.212 17.629 1.00 30.90 ? 30 TYR A CB 1 ATOM 201 C CG . TYR A 1 31 ? 35.298 -8.379 18.679 1.00 31.05 ? 30 TYR A CG 1 ATOM 202 C CD1 . TYR A 1 31 ? 35.498 -7.014 18.495 1.00 31.43 ? 30 TYR A CD1 1 ATOM 203 C CD2 . TYR A 1 31 ? 35.696 -8.952 19.873 1.00 31.95 ? 30 TYR A CD2 1 ATOM 204 C CE1 . TYR A 1 31 ? 36.128 -6.251 19.465 1.00 33.07 ? 30 TYR A CE1 1 ATOM 205 C CE2 . TYR A 1 31 ? 36.331 -8.206 20.849 1.00 33.26 ? 30 TYR A CE2 1 ATOM 206 C CZ . TYR A 1 31 ? 36.538 -6.850 20.646 1.00 33.85 ? 30 TYR A CZ 1 ATOM 207 O OH . TYR A 1 31 ? 37.202 -6.122 21.607 1.00 35.76 ? 30 TYR A OH 1 ATOM 208 N N . LEU A 1 32 ? 31.816 -10.497 16.300 1.00 32.00 ? 31 LEU A N 1 ATOM 209 C CA . LEU A 1 32 ? 31.055 -10.740 15.076 1.00 34.95 ? 31 LEU A CA 1 ATOM 210 C C . LEU A 1 32 ? 29.644 -10.101 15.084 1.00 33.32 ? 31 LEU A C 1 ATOM 211 O O . LEU A 1 32 ? 28.967 -10.118 14.066 1.00 33.24 ? 31 LEU A O 1 ATOM 212 C CB . LEU A 1 32 ? 31.004 -12.239 14.745 1.00 38.94 ? 31 LEU A CB 1 ATOM 213 C CG . LEU A 1 32 ? 30.562 -13.240 15.814 1.00 42.35 ? 31 LEU A CG 1 ATOM 214 C CD1 . LEU A 1 32 ? 29.083 -13.117 16.087 1.00 43.69 ? 31 LEU A CD1 1 ATOM 215 C CD2 . LEU A 1 32 ? 30.914 -14.660 15.395 1.00 45.75 ? 31 LEU A CD2 1 ATOM 216 N N . CYS A 1 33 ? 29.224 -9.510 16.199 1.00 31.80 ? 32 CYS A N 1 ATOM 217 C CA . CYS A 1 33 ? 27.934 -8.789 16.261 1.00 31.10 ? 32 CYS A CA 1 ATOM 218 C C . CYS A 1 33 ? 28.082 -7.372 15.689 1.00 30.81 ? 32 CYS A C 1 ATOM 219 O O . CYS A 1 33 ? 29.040 -6.670 16.028 1.00 30.48 ? 32 CYS A O 1 ATOM 220 C CB . CYS A 1 33 ? 27.435 -8.684 17.717 1.00 31.08 ? 32 CYS A CB 1 ATOM 221 S SG . CYS A 1 33 ? 27.317 -10.208 18.733 1.00 33.11 ? 32 CYS A SG 1 ATOM 222 N N . SER A 1 34 ? 27.140 -6.916 14.869 1.00 28.57 ? 33 SER A N 1 ATOM 223 C CA . SER A 1 34 ? 27.155 -5.511 14.410 1.00 30.32 ? 33 SER A CA 1 ATOM 224 C C . SER A 1 34 ? 26.822 -4.545 15.560 1.00 29.38 ? 33 SER A C 1 ATOM 225 O O . SER A 1 34 ? 25.862 -4.767 16.323 1.00 26.99 ? 33 SER A O 1 ATOM 226 C CB . SER A 1 34 ? 26.154 -5.277 13.282 1.00 32.08 ? 33 SER A CB 1 ATOM 227 O OG . SER A 1 34 ? 26.507 -6.009 12.123 1.00 35.41 ? 33 SER A OG 1 ATOM 228 N N . LYS A 1 35 ? 27.598 -3.471 15.662 1.00 28.55 ? 34 LYS A N 1 ATOM 229 C CA . LYS A 1 35 ? 27.322 -2.385 16.609 1.00 30.34 ? 34 LYS A CA 1 ATOM 230 C C . LYS A 1 35 ? 26.311 -1.384 16.096 1.00 29.21 ? 34 LYS A C 1 ATOM 231 O O . LYS A 1 35 ? 25.513 -0.826 16.859 1.00 28.21 ? 34 LYS A O 1 ATOM 232 C CB . LYS A 1 35 ? 28.591 -1.591 16.895 1.00 33.51 ? 34 LYS A CB 1 ATOM 233 C CG . LYS A 1 35 ? 29.256 -1.922 18.195 1.00 36.73 ? 34 LYS A CG 1 ATOM 234 C CD . LYS A 1 35 ? 30.428 -0.986 18.432 1.00 40.12 ? 34 LYS A CD 1 ATOM 235 C CE . LYS A 1 35 ? 30.712 -0.907 19.908 1.00 44.34 ? 34 LYS A CE 1 ATOM 236 N NZ . LYS A 1 35 ? 31.961 -0.140 20.175 1.00 47.35 ? 34 LYS A NZ 1 ATOM 237 N N . LYS A 1 36 ? 26.347 -1.139 14.795 1.00 29.61 ? 35 LYS A N 1 ATOM 238 C CA . LYS A 1 36 ? 25.599 -0.036 14.210 1.00 31.58 ? 35 LYS A CA 1 ATOM 239 C C . LYS A 1 36 ? 25.041 -0.455 12.861 1.00 30.87 ? 35 LYS A C 1 ATOM 240 O O . LYS A 1 36 ? 25.729 -1.115 12.087 1.00 32.11 ? 35 LYS A O 1 ATOM 241 C CB . LYS A 1 36 ? 26.546 1.152 14.039 1.00 35.52 ? 35 LYS A CB 1 ATOM 242 C CG . LYS A 1 36 ? 25.875 2.462 13.665 1.00 38.73 ? 35 LYS A CG 1 ATOM 243 C CD . LYS A 1 36 ? 26.917 3.555 13.551 1.00 43.94 ? 35 LYS A CD 1 ATOM 244 C CE . LYS A 1 36 ? 26.363 4.818 12.941 1.00 47.71 ? 35 LYS A CE 1 ATOM 245 N NZ . LYS A 1 36 ? 25.282 5.418 13.763 1.00 49.89 ? 35 LYS A NZ 1 ATOM 246 N N . THR A 1 37 ? 23.805 -0.074 12.580 1.00 29.30 ? 36 THR A N 1 ATOM 247 C CA . THR A 1 37 ? 23.234 -0.227 11.251 1.00 29.67 ? 36 THR A CA 1 ATOM 248 C C . THR A 1 37 ? 22.669 1.126 10.797 1.00 31.35 ? 36 THR A C 1 ATOM 249 O O . THR A 1 37 ? 22.154 1.897 11.604 1.00 30.70 ? 36 THR A O 1 ATOM 250 C CB . THR A 1 37 ? 22.121 -1.297 11.224 1.00 28.38 ? 36 THR A CB 1 ATOM 251 O OG1 . THR A 1 37 ? 21.016 -0.881 12.040 1.00 25.49 ? 36 THR A OG1 1 ATOM 252 C CG2 . THR A 1 37 ? 22.661 -2.647 11.742 1.00 28.39 ? 36 THR A CG2 1 ATOM 253 N N . GLU A 1 38 ? 22.736 1.400 9.501 1.00 33.81 ? 37 GLU A N 1 ATOM 254 C CA . GLU A 1 38 ? 22.191 2.652 8.960 1.00 37.22 ? 37 GLU A CA 1 ATOM 255 C C . GLU A 1 38 ? 20.679 2.609 8.776 1.00 34.11 ? 37 GLU A C 1 ATOM 256 O O . GLU A 1 38 ? 20.030 3.643 8.728 1.00 33.76 ? 37 GLU A O 1 ATOM 257 C CB . GLU A 1 38 ? 22.879 2.999 7.635 1.00 41.95 ? 37 GLU A CB 1 ATOM 258 C CG . GLU A 1 38 ? 24.397 3.154 7.770 1.00 49.74 ? 37 GLU A CG 1 ATOM 259 C CD . GLU A 1 38 ? 24.811 4.191 8.815 1.00 57.76 ? 37 GLU A CD 1 ATOM 260 O OE1 . GLU A 1 38 ? 24.141 5.250 8.916 1.00 65.75 ? 37 GLU A OE1 1 ATOM 261 O OE2 . GLU A 1 38 ? 25.814 3.955 9.531 1.00 64.54 ? 37 GLU A OE2 1 ATOM 262 N N . SER A 1 39 ? 20.113 1.412 8.676 1.00 30.83 ? 38 SER A N 1 ATOM 263 C CA . SER A 1 39 ? 18.678 1.270 8.548 1.00 29.74 ? 38 SER A CA 1 ATOM 264 C C . SER A 1 39 ? 18.199 0.077 9.369 1.00 26.15 ? 38 SER A C 1 ATOM 265 O O . SER A 1 39 ? 18.990 -0.612 10.005 1.00 25.57 ? 38 SER A O 1 ATOM 266 C CB . SER A 1 39 ? 18.305 1.094 7.077 1.00 32.72 ? 38 SER A CB 1 ATOM 267 O OG . SER A 1 39 ? 18.964 -0.043 6.564 1.00 38.15 ? 38 SER A OG 1 ATOM 268 N N . TYR A 1 40 ? 16.901 -0.149 9.342 1.00 23.04 ? 39 TYR A N 1 ATOM 269 C CA . TYR A 1 40 ? 16.311 -1.299 10.000 1.00 22.19 ? 39 TYR A CA 1 ATOM 270 C C . TYR A 1 40 ? 16.618 -2.579 9.217 1.00 23.19 ? 39 TYR A C 1 ATOM 271 O O . TYR A 1 40 ? 16.755 -2.531 7.997 1.00 24.03 ? 39 TYR A O 1 ATOM 272 C CB . TYR A 1 40 ? 14.809 -1.104 10.134 1.00 21.53 ? 39 TYR A CB 1 ATOM 273 C CG . TYR A 1 40 ? 14.434 -0.107 11.220 1.00 20.53 ? 39 TYR A CG 1 ATOM 274 C CD1 . TYR A 1 40 ? 14.387 1.253 10.954 1.00 22.61 ? 39 TYR A CD1 1 ATOM 275 C CD2 . TYR A 1 40 ? 14.139 -0.531 12.509 1.00 19.86 ? 39 TYR A CD2 1 ATOM 276 C CE1 . TYR A 1 40 ? 14.055 2.173 11.945 1.00 21.75 ? 39 TYR A CE1 1 ATOM 277 C CE2 . TYR A 1 40 ? 13.810 0.370 13.503 1.00 20.24 ? 39 TYR A CE2 1 ATOM 278 C CZ . TYR A 1 40 ? 13.781 1.728 13.215 1.00 21.23 ? 39 TYR A CZ 1 ATOM 279 O OH . TYR A 1 40 ? 13.497 2.630 14.206 1.00 21.39 ? 39 TYR A OH 1 ATOM 280 N N . PHE A 1 41 ? 16.779 -3.694 9.929 1.00 21.34 ? 40 PHE A N 1 ATOM 281 C CA . PHE A 1 41 ? 16.935 -5.015 9.317 1.00 21.83 ? 40 PHE A CA 1 ATOM 282 C C . PHE A 1 41 ? 15.967 -5.956 10.035 1.00 21.37 ? 40 PHE A C 1 ATOM 283 O O . PHE A 1 41 ? 15.512 -5.664 11.147 1.00 19.98 ? 40 PHE A O 1 ATOM 284 C CB . PHE A 1 41 ? 18.366 -5.545 9.424 1.00 22.75 ? 40 PHE A CB 1 ATOM 285 C CG . PHE A 1 41 ? 18.821 -5.828 10.835 1.00 23.70 ? 40 PHE A CG 1 ATOM 286 C CD1 . PHE A 1 41 ? 19.304 -4.800 11.636 1.00 24.82 ? 40 PHE A CD1 1 ATOM 287 C CD2 . PHE A 1 41 ? 18.794 -7.121 11.358 1.00 24.64 ? 40 PHE A CD2 1 ATOM 288 C CE1 . PHE A 1 41 ? 19.731 -5.058 12.931 1.00 25.11 ? 40 PHE A CE1 1 ATOM 289 C CE2 . PHE A 1 41 ? 19.207 -7.384 12.667 1.00 25.20 ? 40 PHE A CE2 1 ATOM 290 C CZ . PHE A 1 41 ? 19.669 -6.346 13.455 1.00 25.93 ? 40 PHE A CZ 1 ATOM 291 N N . THR A 1 42 ? 15.641 -7.068 9.399 1.00 19.68 ? 41 THR A N 1 ATOM 292 C CA . THR A 1 42 ? 14.709 -8.020 10.002 1.00 19.56 ? 41 THR A CA 1 ATOM 293 C C . THR A 1 42 ? 15.366 -8.810 11.116 1.00 19.59 ? 41 THR A C 1 ATOM 294 O O . THR A 1 42 ? 16.350 -9.524 10.891 1.00 20.12 ? 41 THR A O 1 ATOM 295 C CB . THR A 1 42 ? 14.162 -8.963 8.919 1.00 20.37 ? 41 THR A CB 1 ATOM 296 O OG1 . THR A 1 42 ? 13.509 -8.169 7.925 1.00 20.54 ? 41 THR A OG1 1 ATOM 297 C CG2 . THR A 1 42 ? 13.177 -9.974 9.528 1.00 20.19 ? 41 THR A CG2 1 ATOM 298 N N . ILE A 1 43 ? 14.840 -8.667 12.328 1.00 18.76 ? 42 ILE A N 1 ATOM 299 C CA . ILE A 1 43 ? 15.334 -9.408 13.481 1.00 19.62 ? 42 ILE A CA 1 ATOM 300 C C . ILE A 1 43 ? 14.498 -10.660 13.804 1.00 18.98 ? 42 ILE A C 1 ATOM 301 O O . ILE A 1 43 ? 14.981 -11.604 14.419 1.00 20.11 ? 42 ILE A O 1 ATOM 302 C CB . ILE A 1 43 ? 15.524 -8.466 14.700 1.00 20.78 ? 42 ILE A CB 1 ATOM 303 C CG1 . ILE A 1 43 ? 16.446 -9.121 15.717 1.00 22.67 ? 42 ILE A CG1 1 ATOM 304 C CG2 . ILE A 1 43 ? 14.194 -8.025 15.313 1.00 19.73 ? 42 ILE A CG2 1 ATOM 305 C CD1 . ILE A 1 43 ? 16.941 -8.163 16.791 1.00 25.22 ? 42 ILE A CD1 1 ATOM 306 N N . TRP A 1 44 ? 13.265 -10.685 13.329 1.00 17.95 ? 43 TRP A N 1 ATOM 307 C CA . TRP A 1 44 ? 12.426 -11.902 13.344 1.00 16.97 ? 43 TRP A CA 1 ATOM 308 C C . TRP A 1 44 ? 11.573 -11.882 12.065 1.00 16.90 ? 43 TRP A C 1 ATOM 309 O O . TRP A 1 44 ? 10.898 -10.875 11.824 1.00 15.01 ? 43 TRP A O 1 ATOM 310 C CB . TRP A 1 44 ? 11.486 -11.900 14.555 1.00 16.82 ? 43 TRP A CB 1 ATOM 311 C CG . TRP A 1 44 ? 10.625 -13.121 14.621 1.00 16.05 ? 43 TRP A CG 1 ATOM 312 C CD1 . TRP A 1 44 ? 9.309 -13.231 14.250 1.00 16.68 ? 43 TRP A CD1 1 ATOM 313 C CD2 . TRP A 1 44 ? 11.034 -14.408 15.051 1.00 16.58 ? 43 TRP A CD2 1 ATOM 314 N NE1 . TRP A 1 44 ? 8.875 -14.519 14.460 1.00 16.47 ? 43 TRP A NE1 1 ATOM 315 C CE2 . TRP A 1 44 ? 9.920 -15.258 14.950 1.00 16.31 ? 43 TRP A CE2 1 ATOM 316 C CE3 . TRP A 1 44 ? 12.252 -14.931 15.543 1.00 17.38 ? 43 TRP A CE3 1 ATOM 317 C CZ2 . TRP A 1 44 ? 9.975 -16.599 15.319 1.00 17.03 ? 43 TRP A CZ2 1 ATOM 318 C CZ3 . TRP A 1 44 ? 12.310 -16.262 15.885 1.00 17.72 ? 43 TRP A CZ3 1 ATOM 319 C CH2 . TRP A 1 44 ? 11.181 -17.082 15.767 1.00 18.20 ? 43 TRP A CH2 1 ATOM 320 N N . LEU A 1 45 ? 11.558 -12.932 11.252 1.00 17.15 ? 44 LEU A N 1 ATOM 321 C CA . LEU A 1 45 ? 12.308 -14.180 11.412 1.00 19.54 ? 44 LEU A CA 1 ATOM 322 C C . LEU A 1 45 ? 13.445 -14.214 10.404 1.00 20.85 ? 44 LEU A C 1 ATOM 323 O O . LEU A 1 45 ? 13.225 -14.049 9.194 1.00 21.06 ? 44 LEU A O 1 ATOM 324 C CB . LEU A 1 45 ? 11.375 -15.363 11.165 1.00 20.06 ? 44 LEU A CB 1 ATOM 325 C CG . LEU A 1 45 ? 12.015 -16.761 11.061 1.00 21.35 ? 44 LEU A CG 1 ATOM 326 C CD1 . LEU A 1 45 ? 12.709 -17.099 12.368 1.00 22.52 ? 44 LEU A CD1 1 ATOM 327 C CD2 . LEU A 1 45 ? 10.928 -17.787 10.763 1.00 23.42 ? 44 LEU A CD2 1 ATOM 328 N N . ASN A 1 46 ? 14.671 -14.360 10.891 1.00 23.22 ? 45 ASN A N 1 ATOM 329 C CA . ASN A 1 46 ? 15.822 -14.559 10.019 1.00 26.92 ? 45 ASN A CA 1 ATOM 330 C C . ASN A 1 46 ? 16.642 -15.661 10.617 1.00 29.01 ? 45 ASN A C 1 ATOM 331 O O . ASN A 1 46 ? 17.229 -15.518 11.700 1.00 26.36 ? 45 ASN A O 1 ATOM 332 C CB . ASN A 1 46 ? 16.653 -13.299 9.826 1.00 30.45 ? 45 ASN A CB 1 ATOM 333 C CG . ASN A 1 46 ? 17.922 -13.552 8.993 1.00 32.35 ? 45 ASN A CG 1 ATOM 334 O OD1 . ASN A 1 46 ? 18.308 -14.689 8.726 1.00 34.35 ? 45 ASN A OD1 1 ATOM 335 N ND2 . ASN A 1 46 ? 18.565 -12.491 8.599 1.00 34.83 ? 45 ASN A ND2 1 ATOM 336 N N . LEU A 1 47 ? 16.662 -16.786 9.906 1.00 32.35 ? 46 LEU A N 1 ATOM 337 C CA . LEU A 1 47 ? 17.255 -18.024 10.423 1.00 35.98 ? 46 LEU A CA 1 ATOM 338 C C . LEU A 1 47 ? 18.756 -17.905 10.652 1.00 33.86 ? 46 LEU A C 1 ATOM 339 O O . LEU A 1 47 ? 19.302 -18.544 11.540 1.00 34.67 ? 46 LEU A O 1 ATOM 340 C CB . LEU A 1 47 ? 16.995 -19.175 9.442 1.00 39.94 ? 46 LEU A CB 1 ATOM 341 C CG . LEU A 1 47 ? 15.525 -19.543 9.245 1.00 41.85 ? 46 LEU A CG 1 ATOM 342 C CD1 . LEU A 1 47 ? 15.438 -20.580 8.134 1.00 44.55 ? 46 LEU A CD1 1 ATOM 343 C CD2 . LEU A 1 47 ? 14.942 -20.063 10.551 1.00 43.22 ? 46 LEU A CD2 1 ATOM 344 N N . GLU A 1 48 ? 19.411 -17.062 9.881 1.00 35.23 ? 47 GLU A N 1 ATOM 345 C CA . GLU A 1 48 ? 20.859 -16.923 10.012 1.00 37.89 ? 47 GLU A CA 1 ATOM 346 C C . GLU A 1 48 ? 21.276 -16.261 11.339 1.00 35.88 ? 47 GLU A C 1 ATOM 347 O O . GLU A 1 48 ? 22.421 -16.389 11.749 1.00 33.02 ? 47 GLU A O 1 ATOM 348 C CB . GLU A 1 48 ? 21.407 -16.153 8.827 1.00 42.24 ? 47 GLU A CB 1 ATOM 349 C CG . GLU A 1 48 ? 21.265 -16.957 7.543 1.00 47.84 ? 47 GLU A CG 1 ATOM 350 C CD . GLU A 1 48 ? 21.811 -16.246 6.335 1.00 54.84 ? 47 GLU A CD 1 ATOM 351 O OE1 . GLU A 1 48 ? 21.835 -15.000 6.327 1.00 60.86 ? 47 GLU A OE1 1 ATOM 352 O OE2 . GLU A 1 48 ? 22.217 -16.945 5.384 1.00 63.08 ? 47 GLU A OE2 1 ATOM 353 N N . LEU A 1 49 ? 20.340 -15.583 12.011 1.00 31.73 ? 48 LEU A N 1 ATOM 354 C CA . LEU A 1 49 ? 20.640 -14.924 13.282 1.00 30.35 ? 48 LEU A CA 1 ATOM 355 C C . LEU A 1 49 ? 20.563 -15.876 14.454 1.00 29.21 ? 48 LEU A C 1 ATOM 356 O O . LEU A 1 49 ? 20.944 -15.514 15.571 1.00 27.12 ? 48 LEU A O 1 ATOM 357 C CB . LEU A 1 49 ? 19.688 -13.736 13.508 1.00 28.72 ? 48 LEU A CB 1 ATOM 358 C CG . LEU A 1 49 ? 19.598 -12.688 12.400 1.00 28.64 ? 48 LEU A CG 1 ATOM 359 C CD1 . LEU A 1 49 ? 18.620 -11.596 12.791 1.00 28.29 ? 48 LEU A CD1 1 ATOM 360 C CD2 . LEU A 1 49 ? 20.959 -12.086 12.047 1.00 30.61 ? 48 LEU A CD2 1 ATOM 361 N N . LEU A 1 50 ? 20.046 -17.086 14.213 1.00 29.72 ? 49 LEU A N 1 ATOM 362 C CA . LEU A 1 50 ? 19.800 -18.058 15.274 1.00 31.30 ? 49 LEU A CA 1 ATOM 363 C C . LEU A 1 50 ? 20.859 -19.184 15.364 1.00 32.77 ? 49 LEU A C 1 ATOM 364 O O . LEU A 1 50 ? 20.756 -20.073 16.209 1.00 35.45 ? 49 LEU A O 1 ATOM 365 C CB . LEU A 1 50 ? 18.397 -18.658 15.091 1.00 32.30 ? 49 LEU A CB 1 ATOM 366 C CG . LEU A 1 50 ? 17.272 -17.616 14.898 1.00 32.32 ? 49 LEU A CG 1 ATOM 367 C CD1 . LEU A 1 50 ? 15.920 -18.272 14.634 1.00 32.33 ? 49 LEU A CD1 1 ATOM 368 C CD2 . LEU A 1 50 ? 17.188 -16.721 16.129 1.00 31.37 ? 49 LEU A CD2 1 ATOM 369 N N . LEU A 1 51 ? 21.882 -19.114 14.526 1.00 34.98 ? 50 LEU A N 1 ATOM 370 C CA . LEU A 1 51 ? 22.957 -20.122 14.531 1.00 35.56 ? 50 LEU A CA 1 ATOM 371 C C . LEU A 1 51 ? 23.793 -20.013 15.820 1.00 35.73 ? 50 LEU A C 1 ATOM 372 O O . LEU A 1 51 ? 23.813 -18.959 16.456 1.00 32.44 ? 50 LEU A O 1 ATOM 373 C CB . LEU A 1 51 ? 23.832 -19.927 13.308 1.00 39.17 ? 50 LEU A CB 1 ATOM 374 C CG . LEU A 1 51 ? 23.151 -20.124 11.941 1.00 41.27 ? 50 LEU A CG 1 ATOM 375 C CD1 . LEU A 1 51 ? 23.971 -19.520 10.808 1.00 42.09 ? 50 LEU A CD1 1 ATOM 376 C CD2 . LEU A 1 51 ? 22.884 -21.598 11.672 1.00 43.19 ? 50 LEU A CD2 1 ATOM 377 N N . PRO A 1 52 ? 24.506 -21.088 16.207 1.00 34.42 ? 51 PRO A N 1 ATOM 378 C CA . PRO A 1 52 ? 25.372 -21.006 17.390 1.00 35.27 ? 51 PRO A CA 1 ATOM 379 C C . PRO A 1 52 ? 26.297 -19.773 17.357 1.00 33.38 ? 51 PRO A C 1 ATOM 380 O O . PRO A 1 52 ? 26.746 -19.381 16.284 1.00 32.16 ? 51 PRO A O 1 ATOM 381 C CB . PRO A 1 52 ? 26.197 -22.300 17.321 1.00 36.96 ? 51 PRO A CB 1 ATOM 382 C CG . PRO A 1 52 ? 25.346 -23.248 16.544 1.00 36.62 ? 51 PRO A CG 1 ATOM 383 C CD . PRO A 1 52 ? 24.561 -22.414 15.567 1.00 36.39 ? 51 PRO A CD 1 ATOM 384 N N . VAL A 1 53 ? 26.541 -19.184 18.529 1.00 32.91 ? 52 VAL A N 1 ATOM 385 C CA . VAL A 1 53 ? 27.365 -17.965 18.709 1.00 32.91 ? 52 VAL A CA 1 ATOM 386 C C . VAL A 1 53 ? 26.670 -16.688 18.226 1.00 31.33 ? 52 VAL A C 1 ATOM 387 O O . VAL A 1 53 ? 26.497 -15.751 18.998 1.00 29.43 ? 52 VAL A O 1 ATOM 388 C CB . VAL A 1 53 ? 28.761 -18.084 18.073 1.00 35.19 ? 52 VAL A CB 1 ATOM 389 C CG1 . VAL A 1 53 ? 29.634 -16.874 18.433 1.00 35.87 ? 52 VAL A CG1 1 ATOM 390 C CG2 . VAL A 1 53 ? 29.443 -19.369 18.534 1.00 36.45 ? 52 VAL A CG2 1 ATOM 391 N N . ILE A 1 54 ? 26.275 -16.658 16.954 1.00 30.72 ? 53 ILE A N 1 ATOM 392 C CA . ILE A 1 54 ? 25.508 -15.535 16.389 1.00 31.58 ? 53 ILE A CA 1 ATOM 393 C C . ILE A 1 54 ? 24.223 -15.316 17.194 1.00 29.74 ? 53 ILE A C 1 ATOM 394 O O . ILE A 1 54 ? 23.770 -14.181 17.374 1.00 28.14 ? 53 ILE A O 1 ATOM 395 C CB . ILE A 1 54 ? 25.207 -15.778 14.877 1.00 34.08 ? 53 ILE A CB 1 ATOM 396 C CG1 . ILE A 1 54 ? 26.527 -15.921 14.090 1.00 37.98 ? 53 ILE A CG1 1 ATOM 397 C CG2 . ILE A 1 54 ? 24.396 -14.647 14.256 1.00 34.45 ? 53 ILE A CG2 1 ATOM 398 C CD1 . ILE A 1 54 ? 26.416 -16.587 12.732 1.00 40.53 ? 53 ILE A CD1 1 ATOM 399 N N . ILE A 1 55 ? 23.652 -16.399 17.723 1.00 28.46 ? 54 ILE A N 1 ATOM 400 C CA . ILE A 1 55 ? 22.431 -16.282 18.511 1.00 27.76 ? 54 ILE A CA 1 ATOM 401 C C . ILE A 1 55 ? 22.615 -15.394 19.747 1.00 26.11 ? 54 ILE A C 1 ATOM 402 O O . ILE A 1 55 ? 21.657 -14.789 20.215 1.00 23.15 ? 54 ILE A O 1 ATOM 403 C CB . ILE A 1 55 ? 21.848 -17.652 18.913 1.00 29.64 ? 54 ILE A CB 1 ATOM 404 C CG1 . ILE A 1 55 ? 20.419 -17.461 19.457 1.00 31.58 ? 54 ILE A CG1 1 ATOM 405 C CG2 . ILE A 1 55 ? 22.731 -18.343 19.942 1.00 31.02 ? 54 ILE A CG2 1 ATOM 406 C CD1 . ILE A 1 55 ? 19.524 -18.664 19.281 1.00 33.66 ? 54 ILE A CD1 1 ATOM 407 N N . ASP A 1 56 ? 23.837 -15.285 20.270 1.00 25.48 ? 55 ASP A N 1 ATOM 408 C CA . ASP A 1 56 ? 24.065 -14.379 21.406 1.00 25.86 ? 55 ASP A CA 1 ATOM 409 C C . ASP A 1 56 ? 23.838 -12.908 21.002 1.00 23.67 ? 55 ASP A C 1 ATOM 410 O O . ASP A 1 56 ? 23.365 -12.098 21.819 1.00 22.57 ? 55 ASP A O 1 ATOM 411 C CB . ASP A 1 56 ? 25.486 -14.533 21.982 1.00 28.69 ? 55 ASP A CB 1 ATOM 412 C CG . ASP A 1 56 ? 25.753 -15.923 22.570 1.00 30.96 ? 55 ASP A CG 1 ATOM 413 O OD1 . ASP A 1 56 ? 24.840 -16.523 23.171 1.00 31.91 ? 55 ASP A OD1 1 ATOM 414 O OD2 . ASP A 1 56 ? 26.907 -16.381 22.450 1.00 31.79 ? 55 ASP A OD2 1 ATOM 415 N N . CYS A 1 57 ? 24.234 -12.563 19.780 1.00 23.65 ? 56 CYS A N 1 ATOM 416 C CA . CYS A 1 57 ? 23.980 -11.222 19.228 1.00 24.87 ? 56 CYS A CA 1 ATOM 417 C C . CYS A 1 57 ? 22.464 -10.965 19.166 1.00 23.46 ? 56 CYS A C 1 ATOM 418 O O . CYS A 1 57 ? 21.980 -9.891 19.511 1.00 22.79 ? 56 CYS A O 1 ATOM 419 C CB . CYS A 1 57 ? 24.548 -11.074 17.818 1.00 26.56 ? 56 CYS A CB 1 ATOM 420 S SG . CYS A 1 57 ? 26.274 -11.559 17.619 1.00 32.20 ? 56 CYS A SG 1 ATOM 421 N N . TRP A 1 58 ? 21.742 -11.948 18.655 1.00 21.92 ? 57 TRP A N 1 ATOM 422 C CA . TRP A 1 58 ? 20.290 -11.844 18.503 1.00 21.95 ? 57 TRP A CA 1 ATOM 423 C C . TRP A 1 58 ? 19.629 -11.667 19.857 1.00 21.73 ? 57 TRP A C 1 ATOM 424 O O . TRP A 1 58 ? 18.807 -10.768 20.023 1.00 21.02 ? 57 TRP A O 1 ATOM 425 C CB . TRP A 1 58 ? 19.767 -13.094 17.791 1.00 21.87 ? 57 TRP A CB 1 ATOM 426 C CG . TRP A 1 58 ? 18.298 -13.122 17.575 1.00 20.98 ? 57 TRP A CG 1 ATOM 427 C CD1 . TRP A 1 58 ? 17.617 -12.497 16.592 1.00 21.09 ? 57 TRP A CD1 1 ATOM 428 C CD2 . TRP A 1 58 ? 17.338 -13.855 18.335 1.00 21.63 ? 57 TRP A CD2 1 ATOM 429 N NE1 . TRP A 1 58 ? 16.277 -12.773 16.701 1.00 20.28 ? 57 TRP A NE1 1 ATOM 430 C CE2 . TRP A 1 58 ? 16.081 -13.616 17.755 1.00 20.81 ? 57 TRP A CE2 1 ATOM 431 C CE3 . TRP A 1 58 ? 17.418 -14.689 19.457 1.00 21.79 ? 57 TRP A CE3 1 ATOM 432 C CZ2 . TRP A 1 58 ? 14.905 -14.167 18.270 1.00 22.63 ? 57 TRP A CZ2 1 ATOM 433 C CZ3 . TRP A 1 58 ? 16.269 -15.236 19.969 1.00 23.57 ? 57 TRP A CZ3 1 ATOM 434 C CH2 . TRP A 1 58 ? 15.014 -14.985 19.366 1.00 23.55 ? 57 TRP A CH2 1 ATOM 435 N N . ILE A 1 59 ? 19.995 -12.511 20.828 1.00 22.07 ? 58 ILE A N 1 ATOM 436 C CA . ILE A 1 59 ? 19.464 -12.394 22.184 1.00 22.45 ? 58 ILE A CA 1 ATOM 437 C C . ILE A 1 59 ? 19.735 -10.991 22.742 1.00 22.80 ? 58 ILE A C 1 ATOM 438 O O . ILE A 1 59 ? 18.850 -10.369 23.343 1.00 21.83 ? 58 ILE A O 1 ATOM 439 C CB . ILE A 1 59 ? 20.047 -13.480 23.129 1.00 23.32 ? 58 ILE A CB 1 ATOM 440 C CG1 . ILE A 1 59 ? 19.534 -14.867 22.680 1.00 24.10 ? 58 ILE A CG1 1 ATOM 441 C CG2 . ILE A 1 59 ? 19.713 -13.179 24.573 1.00 23.25 ? 58 ILE A CG2 1 ATOM 442 C CD1 . ILE A 1 59 ? 20.140 -16.056 23.396 1.00 25.46 ? 58 ILE A CD1 1 ATOM 443 N N . ASP A 1 60 ? 20.946 -10.487 22.523 1.00 22.53 ? 59 ASP A N 1 ATOM 444 C CA . ASP A 1 60 ? 21.310 -9.176 23.064 1.00 22.92 ? 59 ASP A CA 1 ATOM 445 C C . ASP A 1 60 ? 20.477 -8.045 22.471 1.00 22.22 ? 59 ASP A C 1 ATOM 446 O O . ASP A 1 60 ? 20.282 -7.027 23.146 1.00 23.02 ? 59 ASP A O 1 ATOM 447 C CB . ASP A 1 60 ? 22.811 -8.867 22.865 1.00 24.13 ? 59 ASP A CB 1 ATOM 448 C CG . ASP A 1 60 ? 23.297 -7.743 23.784 1.00 25.74 ? 59 ASP A CG 1 ATOM 449 O OD1 . ASP A 1 60 ? 23.008 -7.816 24.997 1.00 26.78 ? 59 ASP A OD1 1 ATOM 450 O OD2 . ASP A 1 60 ? 23.956 -6.789 23.306 1.00 27.27 ? 59 ASP A OD2 1 ATOM 451 N N . ASN A 1 61 ? 19.966 -8.224 21.243 1.00 20.07 ? 60 ASN A N 1 ATOM 452 C CA . ASN A 1 61 ? 19.143 -7.221 20.586 1.00 20.12 ? 60 ASN A CA 1 ATOM 453 C C . ASN A 1 61 ? 17.633 -7.386 20.812 1.00 19.45 ? 60 ASN A C 1 ATOM 454 O O . ASN A 1 61 ? 16.914 -6.399 20.880 1.00 18.56 ? 60 ASN A O 1 ATOM 455 C CB . ASN A 1 61 ? 19.401 -7.217 19.064 1.00 20.23 ? 60 ASN A CB 1 ATOM 456 C CG . ASN A 1 61 ? 20.770 -6.658 18.706 1.00 21.09 ? 60 ASN A CG 1 ATOM 457 O OD1 . ASN A 1 61 ? 21.279 -5.776 19.398 1.00 21.55 ? 60 ASN A OD1 1 ATOM 458 N ND2 . ASN A 1 61 ? 21.362 -7.153 17.626 1.00 21.28 ? 60 ASN A ND2 1 ATOM 459 N N . ILE A 1 62 ? 17.177 -8.625 20.898 1.00 18.81 ? 61 ILE A N 1 ATOM 460 C CA . ILE A 1 62 ? 15.719 -8.889 20.956 1.00 19.85 ? 61 ILE A CA 1 ATOM 461 C C . ILE A 1 62 ? 15.183 -9.070 22.387 1.00 19.54 ? 61 ILE A C 1 ATOM 462 O O . ILE A 1 62 ? 13.958 -9.039 22.592 1.00 18.58 ? 61 ILE A O 1 ATOM 463 C CB . ILE A 1 62 ? 15.328 -10.104 20.074 1.00 20.53 ? 61 ILE A CB 1 ATOM 464 C CG1 . ILE A 1 62 ? 13.858 -9.987 19.636 1.00 21.78 ? 61 ILE A CG1 1 ATOM 465 C CG2 . ILE A 1 62 ? 15.627 -11.396 20.813 1.00 20.89 ? 61 ILE A CG2 1 ATOM 466 C CD1 . ILE A 1 62 ? 13.466 -10.952 18.542 1.00 23.60 ? 61 ILE A CD1 1 ATOM 467 N N . ARG A 1 63 ? 16.082 -9.239 23.362 1.00 20.30 ? 62 ARG A N 1 ATOM 468 C CA . ARG A 1 63 ? 15.669 -9.245 24.763 1.00 21.05 ? 62 ARG A CA 1 ATOM 469 C C . ARG A 1 63 ? 15.049 -7.903 25.138 1.00 20.58 ? 62 ARG A C 1 ATOM 470 O O . ARG A 1 63 ? 15.386 -6.867 24.561 1.00 20.29 ? 62 ARG A O 1 ATOM 471 C CB . ARG A 1 63 ? 16.854 -9.550 25.701 1.00 23.01 ? 62 ARG A CB 1 ATOM 472 C CG . ARG A 1 63 ? 17.860 -8.410 25.812 1.00 24.43 ? 62 ARG A CG 1 ATOM 473 C CD . ARG A 1 63 ? 19.150 -8.853 26.475 1.00 27.39 ? 62 ARG A CD 1 ATOM 474 N NE . ARG A 1 63 ? 20.153 -7.794 26.421 1.00 29.63 ? 62 ARG A NE 1 ATOM 475 C CZ . ARG A 1 63 ? 20.311 -6.829 27.324 1.00 31.86 ? 62 ARG A CZ 1 ATOM 476 N NH1 . ARG A 1 63 ? 19.574 -6.776 28.433 1.00 32.00 ? 62 ARG A NH1 1 ATOM 477 N NH2 . ARG A 1 63 ? 21.262 -5.923 27.129 1.00 34.06 ? 62 ARG A NH2 1 ATOM 478 N N . LEU A 1 64 ? 14.105 -7.935 26.085 1.00 20.45 ? 63 LEU A N 1 ATOM 479 C CA . LEU A 1 64 ? 13.601 -6.741 26.754 1.00 19.86 ? 63 LEU A CA 1 ATOM 480 C C . LEU A 1 64 ? 14.292 -6.571 28.117 1.00 20.13 ? 63 LEU A C 1 ATOM 481 O O . LEU A 1 64 ? 14.641 -7.543 28.784 1.00 20.22 ? 63 LEU A O 1 ATOM 482 C CB . LEU A 1 64 ? 12.084 -6.831 26.946 1.00 20.38 ? 63 LEU A CB 1 ATOM 483 C CG . LEU A 1 64 ? 11.165 -6.835 25.722 1.00 20.56 ? 63 LEU A CG 1 ATOM 484 C CD1 . LEU A 1 64 ? 9.716 -7.006 26.179 1.00 20.51 ? 63 LEU A CD1 1 ATOM 485 C CD2 . LEU A 1 64 ? 11.326 -5.554 24.937 1.00 21.99 ? 63 LEU A CD2 1 ATOM 486 N N . VAL A 1 65 ? 14.549 -5.334 28.486 1.00 20.77 ? 64 VAL A N 1 ATOM 487 C CA . VAL A 1 65 ? 15.085 -4.987 29.792 1.00 21.88 ? 64 VAL A CA 1 ATOM 488 C C . VAL A 1 65 ? 13.921 -4.570 30.693 1.00 21.57 ? 64 VAL A C 1 ATOM 489 O O . VAL A 1 65 ? 13.150 -3.691 30.320 1.00 21.44 ? 64 VAL A O 1 ATOM 490 C CB . VAL A 1 65 ? 16.059 -3.801 29.661 1.00 23.60 ? 64 VAL A CB 1 ATOM 491 C CG1 . VAL A 1 65 ? 16.561 -3.349 31.026 1.00 25.22 ? 64 VAL A CG1 1 ATOM 492 C CG2 . VAL A 1 65 ? 17.233 -4.164 28.762 1.00 25.17 ? 64 VAL A CG2 1 ATOM 493 N N . TYR A 1 66 ? 13.782 -5.185 31.862 1.00 21.41 ? 65 TYR A N 1 ATOM 494 C CA . TYR A 1 66 ? 12.722 -4.803 32.784 1.00 21.81 ? 65 TYR A CA 1 ATOM 495 C C . TYR A 1 66 ? 13.252 -3.744 33.766 1.00 23.49 ? 65 TYR A C 1 ATOM 496 O O . TYR A 1 66 ? 14.219 -3.971 34.464 1.00 22.81 ? 65 TYR A O 1 ATOM 497 C CB . TYR A 1 66 ? 12.157 -6.029 33.545 1.00 21.61 ? 65 TYR A CB 1 ATOM 498 C CG . TYR A 1 66 ? 10.889 -5.677 34.298 1.00 21.20 ? 65 TYR A CG 1 ATOM 499 C CD1 . TYR A 1 66 ? 9.651 -5.648 33.644 1.00 21.24 ? 65 TYR A CD1 1 ATOM 500 C CD2 . TYR A 1 66 ? 10.925 -5.292 35.642 1.00 21.63 ? 65 TYR A CD2 1 ATOM 501 C CE1 . TYR A 1 66 ? 8.490 -5.285 34.313 1.00 21.16 ? 65 TYR A CE1 1 ATOM 502 C CE2 . TYR A 1 66 ? 9.760 -4.938 36.311 1.00 22.08 ? 65 TYR A CE2 1 ATOM 503 C CZ . TYR A 1 66 ? 8.553 -4.947 35.655 1.00 21.77 ? 65 TYR A CZ 1 ATOM 504 O OH . TYR A 1 66 ? 7.393 -4.570 36.329 1.00 23.95 ? 65 TYR A OH 1 ATOM 505 N N . ASN A 1 67 ? 12.589 -2.606 33.812 1.00 23.75 ? 66 ASN A N 1 ATOM 506 C CA . ASN A 1 67 ? 12.978 -1.512 34.710 1.00 26.40 ? 66 ASN A CA 1 ATOM 507 C C . ASN A 1 67 ? 12.052 -1.507 35.920 1.00 26.80 ? 66 ASN A C 1 ATOM 508 O O . ASN A 1 67 ? 10.853 -1.249 35.798 1.00 26.53 ? 66 ASN A O 1 ATOM 509 C CB . ASN A 1 67 ? 12.882 -0.229 33.915 1.00 27.33 ? 66 ASN A CB 1 ATOM 510 C CG . ASN A 1 67 ? 13.285 0.997 34.706 1.00 30.35 ? 66 ASN A CG 1 ATOM 511 O OD1 . ASN A 1 67 ? 13.099 1.071 35.926 1.00 30.19 ? 66 ASN A OD1 1 ATOM 512 N ND2 . ASN A 1 67 ? 13.845 1.980 33.989 1.00 33.32 ? 66 ASN A ND2 1 ATOM 513 N N . LYS A 1 68 ? 12.592 -1.863 37.083 1.00 29.16 ? 67 LYS A N 1 ATOM 514 C CA . LYS A 1 68 ? 11.781 -2.021 38.303 1.00 30.93 ? 67 LYS A CA 1 ATOM 515 C C . LYS A 1 68 ? 11.224 -0.691 38.821 1.00 32.26 ? 67 LYS A C 1 ATOM 516 O O . LYS A 1 68 ? 10.203 -0.691 39.489 1.00 31.47 ? 67 LYS A O 1 ATOM 517 C CB . LYS A 1 68 ? 12.590 -2.681 39.421 1.00 33.03 ? 67 LYS A CB 1 ATOM 518 C CG . LYS A 1 68 ? 13.022 -4.116 39.161 1.00 35.16 ? 67 LYS A CG 1 ATOM 519 C CD . LYS A 1 68 ? 13.890 -4.610 40.312 1.00 38.90 ? 67 LYS A CD 1 ATOM 520 C CE . LYS A 1 68 ? 14.158 -6.100 40.257 1.00 41.11 ? 67 LYS A CE 1 ATOM 521 N NZ . LYS A 1 68 ? 15.128 -6.481 39.193 1.00 43.33 ? 67 LYS A NZ 1 ATOM 522 N N . THR A 1 69 ? 11.875 0.420 38.484 1.00 34.90 ? 68 THR A N 1 ATOM 523 C CA . THR A 1 69 ? 11.414 1.766 38.886 1.00 38.34 ? 68 THR A CA 1 ATOM 524 C C . THR A 1 69 ? 10.168 2.179 38.120 1.00 37.13 ? 68 THR A C 1 ATOM 525 O O . THR A 1 69 ? 9.160 2.555 38.707 1.00 40.33 ? 68 THR A O 1 ATOM 526 C CB . THR A 1 69 ? 12.503 2.826 38.639 1.00 39.18 ? 68 THR A CB 1 ATOM 527 O OG1 . THR A 1 69 ? 13.710 2.428 39.297 1.00 41.01 ? 68 THR A OG1 1 ATOM 528 C CG2 . THR A 1 69 ? 12.061 4.196 39.151 1.00 41.86 ? 68 THR A CG2 1 ATOM 529 N N . SER A 1 70 ? 10.222 2.069 36.800 1.00 36.54 ? 69 SER A N 1 ATOM 530 C CA . SER A 1 70 ? 9.072 2.400 35.981 1.00 32.79 ? 69 SER A CA 1 ATOM 531 C C . SER A 1 70 ? 8.062 1.261 35.880 1.00 30.45 ? 69 SER A C 1 ATOM 532 O O . SER A 1 70 ? 6.964 1.482 35.399 1.00 29.00 ? 69 SER A O 1 ATOM 533 C CB . SER A 1 70 ? 9.530 2.805 34.589 1.00 34.42 ? 69 SER A CB 1 ATOM 534 O OG . SER A 1 70 ? 10.180 1.716 33.951 1.00 35.42 ? 69 SER A OG 1 ATOM 535 N N . ARG A 1 71 ? 8.416 0.051 36.320 1.00 28.71 ? 70 ARG A N 1 ATOM 536 C CA . ARG A 1 71 ? 7.583 -1.140 36.110 1.00 27.82 ? 70 ARG A CA 1 ATOM 537 C C . ARG A 1 71 ? 7.202 -1.259 34.643 1.00 26.66 ? 70 ARG A C 1 ATOM 538 O O . ARG A 1 71 ? 6.045 -1.483 34.292 1.00 25.97 ? 70 ARG A O 1 ATOM 539 C CB . ARG A 1 71 ? 6.320 -1.154 37.006 1.00 28.86 ? 70 ARG A CB 1 ATOM 540 C CG . ARG A 1 71 ? 6.616 -1.124 38.503 1.00 29.99 ? 70 ARG A CG 1 ATOM 541 C CD . ARG A 1 71 ? 7.253 -2.409 39.002 1.00 29.12 ? 70 ARG A CD 1 ATOM 542 N NE . ARG A 1 71 ? 6.323 -3.532 38.903 1.00 29.04 ? 70 ARG A NE 1 ATOM 543 C CZ . ARG A 1 71 ? 5.611 -4.052 39.900 1.00 29.39 ? 70 ARG A CZ 1 ATOM 544 N NH1 . ARG A 1 71 ? 5.743 -3.591 41.129 1.00 28.98 ? 70 ARG A NH1 1 ATOM 545 N NH2 . ARG A 1 71 ? 4.787 -5.082 39.682 1.00 29.69 ? 70 ARG A NH2 1 ATOM 546 N N . ALA A 1 72 ? 8.202 -1.159 33.784 1.00 26.37 ? 71 ALA A N 1 ATOM 547 C CA . ALA A 1 72 ? 7.983 -1.202 32.355 1.00 25.02 ? 71 ALA A CA 1 ATOM 548 C C . ALA A 1 72 ? 9.205 -1.836 31.697 1.00 24.99 ? 71 ALA A C 1 ATOM 549 O O . ALA A 1 72 ? 10.296 -1.807 32.256 1.00 24.67 ? 71 ALA A O 1 ATOM 550 C CB . ALA A 1 72 ? 7.761 0.198 31.837 1.00 26.19 ? 71 ALA A CB 1 ATOM 551 N N . THR A 1 73 ? 9.029 -2.362 30.485 1.00 23.98 ? 72 THR A N 1 ATOM 552 C CA . THR A 1 73 ? 10.163 -2.864 29.729 1.00 23.37 ? 72 THR A CA 1 ATOM 553 C C . THR A 1 73 ? 10.720 -1.787 28.827 1.00 23.23 ? 72 THR A C 1 ATOM 554 O O . THR A 1 73 ? 10.037 -0.834 28.460 1.00 22.20 ? 72 THR A O 1 ATOM 555 C CB . THR A 1 73 ? 9.810 -4.100 28.881 1.00 22.61 ? 72 THR A CB 1 ATOM 556 O OG1 . THR A 1 73 ? 8.674 -3.803 28.041 1.00 22.70 ? 72 THR A OG1 1 ATOM 557 C CG2 . THR A 1 73 ? 9.534 -5.238 29.761 1.00 22.62 ? 72 THR A CG2 1 ATOM 558 N N . GLN A 1 74 ? 11.991 -1.939 28.480 1.00 22.69 ? 73 GLN A N 1 ATOM 559 C CA . GLN A 1 74 ? 12.636 -1.055 27.525 1.00 22.12 ? 73 GLN A CA 1 ATOM 560 C C . GLN A 1 74 ? 13.580 -1.885 26.657 1.00 21.31 ? 73 GLN A C 1 ATOM 561 O O . GLN A 1 74 ? 13.921 -3.015 27.000 1.00 19.33 ? 73 GLN A O 1 ATOM 562 C CB . GLN A 1 74 ? 13.362 0.088 28.247 1.00 24.73 ? 73 GLN A CB 1 ATOM 563 C CG . GLN A 1 74 ? 14.151 -0.338 29.458 1.00 26.41 ? 73 GLN A CG 1 ATOM 564 C CD . GLN A 1 74 ? 14.676 0.819 30.306 1.00 27.49 ? 73 GLN A CD 1 ATOM 565 O OE1 . GLN A 1 74 ? 13.938 1.500 31.020 1.00 27.98 ? 73 GLN A OE1 1 ATOM 566 N NE2 . GLN A 1 74 ? 15.969 1.031 30.223 1.00 28.71 ? 73 GLN A NE2 1 ATOM 567 N N . PHE A 1 75 ? 13.967 -1.342 25.510 1.00 21.30 ? 74 PHE A N 1 ATOM 568 C CA . PHE A 1 75 ? 14.903 -2.030 24.648 1.00 21.09 ? 74 PHE A CA 1 ATOM 569 C C . PHE A 1 75 ? 16.317 -1.853 25.211 1.00 21.78 ? 74 PHE A C 1 ATOM 570 O O . PHE A 1 75 ? 16.582 -0.920 25.960 1.00 21.68 ? 74 PHE A O 1 ATOM 571 C CB . PHE A 1 75 ? 14.845 -1.482 23.220 1.00 22.84 ? 74 PHE A CB 1 ATOM 572 C CG . PHE A 1 75 ? 13.458 -1.415 22.625 1.00 23.33 ? 74 PHE A CG 1 ATOM 573 C CD1 . PHE A 1 75 ? 12.497 -2.378 22.917 1.00 23.93 ? 74 PHE A CD1 1 ATOM 574 C CD2 . PHE A 1 75 ? 13.116 -0.369 21.779 1.00 24.74 ? 74 PHE A CD2 1 ATOM 575 C CE1 . PHE A 1 75 ? 11.210 -2.285 22.381 1.00 24.77 ? 74 PHE A CE1 1 ATOM 576 C CE2 . PHE A 1 75 ? 11.848 -0.295 21.206 1.00 24.18 ? 74 PHE A CE2 1 ATOM 577 C CZ . PHE A 1 75 ? 10.898 -1.252 21.506 1.00 24.89 ? 74 PHE A CZ 1 ATOM 578 N N . PRO A 1 76 ? 17.243 -2.763 24.863 1.00 22.32 ? 75 PRO A N 1 ATOM 579 C CA . PRO A 1 76 ? 18.637 -2.525 25.255 1.00 22.54 ? 75 PRO A CA 1 ATOM 580 C C . PRO A 1 76 ? 19.186 -1.198 24.742 1.00 22.96 ? 75 PRO A C 1 ATOM 581 O O . PRO A 1 76 ? 18.672 -0.656 23.764 1.00 20.70 ? 75 PRO A O 1 ATOM 582 C CB . PRO A 1 76 ? 19.379 -3.716 24.634 1.00 23.09 ? 75 PRO A CB 1 ATOM 583 C CG . PRO A 1 76 ? 18.344 -4.769 24.519 1.00 22.63 ? 75 PRO A CG 1 ATOM 584 C CD . PRO A 1 76 ? 17.086 -4.039 24.145 1.00 21.70 ? 75 PRO A CD 1 ATOM 585 N N . ASP A 1 77 ? 20.248 -0.683 25.386 1.00 25.02 ? 76 ASP A N 1 ATOM 586 C CA . ASP A 1 77 ? 20.852 0.567 24.966 1.00 26.42 ? 76 ASP A CA 1 ATOM 587 C C . ASP A 1 77 ? 21.214 0.510 23.503 1.00 24.96 ? 76 ASP A C 1 ATOM 588 O O . ASP A 1 77 ? 21.886 -0.425 23.062 1.00 25.16 ? 76 ASP A O 1 ATOM 589 C CB . ASP A 1 77 ? 22.143 0.880 25.771 1.00 31.93 ? 76 ASP A CB 1 ATOM 590 C CG . ASP A 1 77 ? 21.872 1.115 27.250 1.00 38.89 ? 76 ASP A CG 1 ATOM 591 O OD1 . ASP A 1 77 ? 20.694 1.387 27.613 1.00 45.44 ? 76 ASP A OD1 1 ATOM 592 O OD2 . ASP A 1 77 ? 22.833 1.017 28.057 1.00 44.71 ? 76 ASP A OD2 1 ATOM 593 N N . GLY A 1 78 ? 20.818 1.544 22.766 1.00 23.49 ? 77 GLY A N 1 ATOM 594 C CA . GLY A 1 78 ? 21.136 1.678 21.351 1.00 23.43 ? 77 GLY A CA 1 ATOM 595 C C . GLY A 1 78 ? 20.393 0.744 20.407 1.00 22.90 ? 77 GLY A C 1 ATOM 596 O O . GLY A 1 78 ? 20.777 0.609 19.254 1.00 23.06 ? 77 GLY A O 1 ATOM 597 N N . VAL A 1 79 ? 19.316 0.118 20.877 1.00 21.59 ? 78 VAL A N 1 ATOM 598 C CA . VAL A 1 79 ? 18.534 -0.759 20.033 1.00 21.22 ? 78 VAL A CA 1 ATOM 599 C C . VAL A 1 79 ? 17.132 -0.175 19.874 1.00 20.84 ? 78 VAL A C 1 ATOM 600 O O . VAL A 1 79 ? 16.519 0.233 20.858 1.00 21.66 ? 78 VAL A O 1 ATOM 601 C CB . VAL A 1 79 ? 18.414 -2.171 20.631 1.00 21.07 ? 78 VAL A CB 1 ATOM 602 C CG1 . VAL A 1 79 ? 17.542 -3.050 19.757 1.00 21.38 ? 78 VAL A CG1 1 ATOM 603 C CG2 . VAL A 1 79 ? 19.782 -2.802 20.823 1.00 22.32 ? 78 VAL A CG2 1 ATOM 604 N N . ASP A 1 80 ? 16.641 -0.110 18.639 1.00 19.46 ? 79 ASP A N 1 ATOM 605 C CA . ASP A 1 80 ? 15.214 0.142 18.401 1.00 18.94 ? 79 ASP A CA 1 ATOM 606 C C . ASP A 1 80 ? 14.586 -1.034 17.679 1.00 18.69 ? 79 ASP A C 1 ATOM 607 O O . ASP A 1 80 ? 15.178 -1.567 16.747 1.00 19.23 ? 79 ASP A O 1 ATOM 608 C CB . ASP A 1 80 ? 14.945 1.399 17.577 1.00 19.76 ? 79 ASP A CB 1 ATOM 609 C CG . ASP A 1 80 ? 13.461 1.766 17.597 1.00 20.08 ? 79 ASP A CG 1 ATOM 610 O OD1 . ASP A 1 80 ? 12.928 1.933 18.738 1.00 21.38 ? 79 ASP A OD1 1 ATOM 611 O OD2 . ASP A 1 80 ? 12.824 1.838 16.520 1.00 20.79 ? 79 ASP A OD2 1 ATOM 612 N N . VAL A 1 81 ? 13.377 -1.410 18.092 1.00 17.58 ? 80 VAL A N 1 ATOM 613 C CA . VAL A 1 81 ? 12.635 -2.472 17.446 1.00 16.80 ? 80 VAL A CA 1 ATOM 614 C C . VAL A 1 81 ? 11.276 -1.932 16.987 1.00 17.12 ? 80 VAL A C 1 ATOM 615 O O . VAL A 1 81 ? 10.556 -1.318 17.776 1.00 16.66 ? 80 VAL A O 1 ATOM 616 C CB . VAL A 1 81 ? 12.430 -3.675 18.373 1.00 17.02 ? 80 VAL A CB 1 ATOM 617 C CG1 . VAL A 1 81 ? 11.627 -4.776 17.678 1.00 16.67 ? 80 VAL A CG1 1 ATOM 618 C CG2 . VAL A 1 81 ? 13.779 -4.253 18.793 1.00 17.73 ? 80 VAL A CG2 1 ATOM 619 N N . ARG A 1 82 ? 10.951 -2.115 15.712 1.00 16.89 ? 81 ARG A N 1 ATOM 620 C CA . ARG A 1 82 ? 9.655 -1.654 15.173 1.00 17.77 ? 81 ARG A CA 1 ATOM 621 C C . ARG A 1 82 ? 8.904 -2.780 14.490 1.00 16.95 ? 81 ARG A C 1 ATOM 622 O O . ARG A 1 82 ? 9.475 -3.804 14.113 1.00 18.30 ? 81 ARG A O 1 ATOM 623 C CB . ARG A 1 82 ? 9.813 -0.478 14.231 1.00 19.79 ? 81 ARG A CB 1 ATOM 624 C CG . ARG A 1 82 ? 10.305 -0.820 12.870 1.00 21.13 ? 81 ARG A CG 1 ATOM 625 C CD . ARG A 1 82 ? 10.233 0.371 11.904 1.00 23.73 ? 81 ARG A CD 1 ATOM 626 N NE . ARG A 1 82 ? 10.801 -0.039 10.629 1.00 24.59 ? 81 ARG A NE 1 ATOM 627 C CZ . ARG A 1 82 ? 11.251 0.772 9.683 1.00 28.13 ? 81 ARG A CZ 1 ATOM 628 N NH1 . ARG A 1 82 ? 11.197 2.104 9.828 1.00 27.24 ? 81 ARG A NH1 1 ATOM 629 N NH2 . ARG A 1 82 ? 11.768 0.252 8.579 1.00 28.56 ? 81 ARG A NH2 1 ATOM 630 N N . VAL A 1 83 ? 7.608 -2.589 14.374 1.00 16.11 ? 82 VAL A N 1 ATOM 631 C CA . VAL A 1 83 ? 6.706 -3.581 13.801 1.00 15.98 ? 82 VAL A CA 1 ATOM 632 C C . VAL A 1 83 ? 6.330 -3.087 12.412 1.00 15.71 ? 82 VAL A C 1 ATOM 633 O O . VAL A 1 83 ? 5.647 -2.092 12.298 1.00 16.50 ? 82 VAL A O 1 ATOM 634 C CB . VAL A 1 83 ? 5.418 -3.684 14.641 1.00 15.22 ? 82 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 83 ? 4.439 -4.684 14.029 1.00 15.92 ? 82 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 83 ? 5.755 -4.080 16.074 1.00 16.07 ? 82 VAL A CG2 1 ATOM 637 N N . PRO A 1 84 ? 6.785 -3.769 11.357 1.00 16.41 ? 83 PRO A N 1 ATOM 638 C CA . PRO A 1 84 ? 6.432 -3.322 10.004 1.00 16.68 ? 83 PRO A CA 1 ATOM 639 C C . PRO A 1 84 ? 5.056 -3.838 9.606 1.00 16.72 ? 83 PRO A C 1 ATOM 640 O O . PRO A 1 84 ? 4.555 -4.759 10.226 1.00 15.88 ? 83 PRO A O 1 ATOM 641 C CB . PRO A 1 84 ? 7.486 -3.977 9.141 1.00 17.06 ? 83 PRO A CB 1 ATOM 642 C CG . PRO A 1 84 ? 7.815 -5.249 9.886 1.00 17.44 ? 83 PRO A CG 1 ATOM 643 C CD . PRO A 1 84 ? 7.731 -4.901 11.336 1.00 16.66 ? 83 PRO A CD 1 ATOM 644 N N . GLY A 1 85 ? 4.456 -3.230 8.587 1.00 18.12 ? 84 GLY A N 1 ATOM 645 C CA . GLY A 1 85 ? 3.291 -3.829 7.914 1.00 17.28 ? 84 GLY A CA 1 ATOM 646 C C . GLY A 1 85 ? 1.956 -3.678 8.598 1.00 17.02 ? 84 GLY A C 1 ATOM 647 O O . GLY A 1 85 ? 1.020 -4.435 8.269 1.00 16.42 ? 84 GLY A O 1 ATOM 648 N N . PHE A 1 86 ? 1.811 -2.708 9.519 1.00 17.07 ? 85 PHE A N 1 ATOM 649 C CA . PHE A 1 86 ? 0.491 -2.474 10.126 1.00 17.05 ? 85 PHE A CA 1 ATOM 650 C C . PHE A 1 86 ? -0.488 -2.000 9.050 1.00 17.94 ? 85 PHE A C 1 ATOM 651 O O . PHE A 1 86 ? -0.198 -1.070 8.285 1.00 16.53 ? 85 PHE A O 1 ATOM 652 C CB . PHE A 1 86 ? 0.543 -1.478 11.301 1.00 17.46 ? 85 PHE A CB 1 ATOM 653 C CG . PHE A 1 86 ? -0.747 -1.402 12.073 1.00 17.72 ? 85 PHE A CG 1 ATOM 654 C CD1 . PHE A 1 86 ? -1.000 -2.246 13.150 1.00 18.20 ? 85 PHE A CD1 1 ATOM 655 C CD2 . PHE A 1 86 ? -1.736 -0.500 11.695 1.00 19.34 ? 85 PHE A CD2 1 ATOM 656 C CE1 . PHE A 1 86 ? -2.207 -2.186 13.838 1.00 18.54 ? 85 PHE A CE1 1 ATOM 657 C CE2 . PHE A 1 86 ? -2.935 -0.436 12.377 1.00 19.89 ? 85 PHE A CE2 1 ATOM 658 C CZ . PHE A 1 86 ? -3.182 -1.295 13.434 1.00 19.48 ? 85 PHE A CZ 1 ATOM 659 N N . GLY A 1 87 ? -1.640 -2.650 8.970 1.00 16.09 ? 86 GLY A N 1 ATOM 660 C CA . GLY A 1 87 ? -2.623 -2.338 7.937 1.00 17.51 ? 86 GLY A CA 1 ATOM 661 C C . GLY A 1 87 ? -2.421 -3.140 6.650 1.00 16.88 ? 86 GLY A C 1 ATOM 662 O O . GLY A 1 87 ? -3.270 -3.079 5.747 1.00 17.66 ? 86 GLY A O 1 ATOM 663 N N . LYS A 1 88 ? -1.298 -3.856 6.542 1.00 17.10 ? 87 LYS A N 1 ATOM 664 C CA . LYS A 1 88 ? -0.976 -4.692 5.376 1.00 19.56 ? 87 LYS A CA 1 ATOM 665 C C . LYS A 1 88 ? -1.030 -6.156 5.845 1.00 18.64 ? 87 LYS A C 1 ATOM 666 O O . LYS A 1 88 ? -1.344 -6.404 7.002 1.00 19.58 ? 87 LYS A O 1 ATOM 667 C CB . LYS A 1 88 ? 0.422 -4.354 4.848 1.00 21.28 ? 87 LYS A CB 1 ATOM 668 C CG . LYS A 1 88 ? 0.666 -2.878 4.611 1.00 23.96 ? 87 LYS A CG 1 ATOM 669 C CD . LYS A 1 88 ? -0.291 -2.311 3.577 1.00 28.66 ? 87 LYS A CD 1 ATOM 670 C CE . LYS A 1 88 ? 0.019 -0.836 3.324 1.00 34.05 ? 87 LYS A CE 1 ATOM 671 N NZ . LYS A 1 88 ? -1.143 -0.150 2.690 1.00 35.72 ? 87 LYS A NZ 1 ATOM 672 N N . THR A 1 89 ? -0.706 -7.108 4.982 1.00 17.70 ? 88 THR A N 1 ATOM 673 C CA . THR A 1 89 ? -0.724 -8.506 5.373 1.00 17.75 ? 88 THR A CA 1 ATOM 674 C C . THR A 1 89 ? 0.631 -9.193 5.238 1.00 17.39 ? 88 THR A C 1 ATOM 675 O O . THR A 1 89 ? 0.816 -10.272 5.804 1.00 15.60 ? 88 THR A O 1 ATOM 676 C CB . THR A 1 89 ? -1.784 -9.334 4.582 1.00 19.23 ? 88 THR A CB 1 ATOM 677 O OG1 . THR A 1 89 ? -1.451 -9.349 3.192 1.00 21.09 ? 88 THR A OG1 1 ATOM 678 C CG2 . THR A 1 89 ? -3.167 -8.750 4.782 1.00 21.10 ? 88 THR A CG2 1 ATOM 679 N N . PHE A 1 90 ? 1.582 -8.581 4.539 1.00 16.94 ? 89 PHE A N 1 ATOM 680 C CA . PHE A 1 90 ? 2.832 -9.270 4.232 1.00 18.06 ? 89 PHE A CA 1 ATOM 681 C C . PHE A 1 90 ? 3.569 -9.752 5.484 1.00 17.52 ? 89 PHE A C 1 ATOM 682 O O . PHE A 1 90 ? 4.186 -10.824 5.473 1.00 17.98 ? 89 PHE A O 1 ATOM 683 C CB . PHE A 1 90 ? 3.750 -8.413 3.338 1.00 19.77 ? 89 PHE A CB 1 ATOM 684 C CG . PHE A 1 90 ? 4.359 -7.219 4.021 1.00 20.27 ? 89 PHE A CG 1 ATOM 685 C CD1 . PHE A 1 90 ? 5.557 -7.344 4.735 1.00 21.85 ? 89 PHE A CD1 1 ATOM 686 C CD2 . PHE A 1 90 ? 3.757 -5.972 3.943 1.00 21.17 ? 89 PHE A CD2 1 ATOM 687 C CE1 . PHE A 1 90 ? 6.133 -6.237 5.367 1.00 22.36 ? 89 PHE A CE1 1 ATOM 688 C CE2 . PHE A 1 90 ? 4.340 -4.865 4.554 1.00 22.81 ? 89 PHE A CE2 1 ATOM 689 C CZ . PHE A 1 90 ? 5.521 -5.003 5.280 1.00 22.33 ? 89 PHE A CZ 1 ATOM 690 N N . SER A 1 91 ? 3.531 -8.968 6.559 1.00 17.27 ? 90 SER A N 1 ATOM 691 C CA . SER A 1 91 ? 4.388 -9.257 7.720 1.00 17.31 ? 90 SER A CA 1 ATOM 692 C C . SER A 1 91 ? 3.809 -10.345 8.633 1.00 17.01 ? 90 SER A C 1 ATOM 693 O O . SER A 1 91 ? 4.519 -10.858 9.504 1.00 16.68 ? 90 SER A O 1 ATOM 694 C CB . SER A 1 91 ? 4.685 -8.000 8.523 1.00 17.84 ? 90 SER A CB 1 ATOM 695 O OG . SER A 1 91 ? 3.569 -7.582 9.280 1.00 19.73 ? 90 SER A OG 1 ATOM 696 N N A LEU A 1 92 ? 2.529 -10.665 8.457 0.50 15.94 ? 91 LEU A N 1 ATOM 697 N N B LEU A 1 92 ? 2.536 -10.678 8.424 0.50 16.78 ? 91 LEU A N 1 ATOM 698 C CA A LEU A 1 92 ? 1.968 -11.858 9.094 0.50 16.10 ? 91 LEU A CA 1 ATOM 699 C CA B LEU A 1 92 ? 1.906 -11.845 9.025 0.50 17.48 ? 91 LEU A CA 1 ATOM 700 C C A LEU A 1 92 ? 1.749 -13.039 8.133 0.50 16.08 ? 91 LEU A C 1 ATOM 701 C C B LEU A 1 92 ? 1.792 -13.045 8.120 0.50 16.89 ? 91 LEU A C 1 ATOM 702 O O A LEU A 1 92 ? 1.643 -14.167 8.599 0.50 16.41 ? 91 LEU A O 1 ATOM 703 O O B LEU A 1 92 ? 1.653 -14.167 8.599 0.50 17.14 ? 91 LEU A O 1 ATOM 704 C CB A LEU A 1 92 ? 0.757 -11.585 9.991 0.50 15.96 ? 91 LEU A CB 1 ATOM 705 C CB B LEU A 1 92 ? 0.434 -11.524 9.322 0.50 18.70 ? 91 LEU A CB 1 ATOM 706 C CG A LEU A 1 92 ? -0.304 -10.599 9.571 0.50 15.98 ? 91 LEU A CG 1 ATOM 707 C CG B LEU A 1 92 ? -0.014 -10.713 10.505 0.50 19.23 ? 91 LEU A CG 1 ATOM 708 C CD1 A LEU A 1 92 ? -1.064 -11.254 8.416 0.50 16.57 ? 91 LEU A CD1 1 ATOM 709 C CD1 B LEU A 1 92 ? 0.516 -9.315 10.391 0.50 19.95 ? 91 LEU A CD1 1 ATOM 710 C CD2 A LEU A 1 92 ? -1.208 -10.382 10.771 0.50 16.31 ? 91 LEU A CD2 1 ATOM 711 C CD2 B LEU A 1 92 ? -1.516 -10.717 10.452 0.50 20.71 ? 91 LEU A CD2 1 ATOM 712 N N . GLU A 1 93 ? 1.779 -12.829 6.813 1.00 16.04 ? 92 GLU A N 1 ATOM 713 C CA . GLU A 1 93 ? 1.736 -13.965 5.875 1.00 16.30 ? 92 GLU A CA 1 ATOM 714 C C . GLU A 1 93 ? 3.044 -14.749 5.938 1.00 16.70 ? 92 GLU A C 1 ATOM 715 O O . GLU A 1 93 ? 3.037 -15.968 5.940 1.00 16.98 ? 92 GLU A O 1 ATOM 716 C CB . GLU A 1 93 ? 1.472 -13.525 4.414 1.00 16.04 ? 92 GLU A CB 1 ATOM 717 C CG . GLU A 1 93 ? 0.054 -13.051 4.158 1.00 16.72 ? 92 GLU A CG 1 ATOM 718 C CD . GLU A 1 93 ? -0.200 -12.757 2.695 1.00 17.31 ? 92 GLU A CD 1 ATOM 719 O OE1 . GLU A 1 93 ? -0.141 -13.697 1.880 1.00 18.02 ? 92 GLU A OE1 1 ATOM 720 O OE2 . GLU A 1 93 ? -0.450 -11.577 2.362 1.00 18.33 ? 92 GLU A OE2 1 ATOM 721 N N . PHE A 1 94 ? 4.144 -14.023 5.959 1.00 17.28 ? 93 PHE A N 1 ATOM 722 C CA . PHE A 1 94 ? 5.500 -14.588 5.946 1.00 18.32 ? 93 PHE A CA 1 ATOM 723 C C . PHE A 1 94 ? 6.280 -13.967 7.085 1.00 18.65 ? 93 PHE A C 1 ATOM 724 O O . PHE A 1 94 ? 6.474 -12.763 7.104 1.00 18.34 ? 93 PHE A O 1 ATOM 725 C CB . PHE A 1 94 ? 6.205 -14.251 4.630 1.00 20.45 ? 93 PHE A CB 1 ATOM 726 C CG . PHE A 1 94 ? 5.617 -14.927 3.430 1.00 21.97 ? 93 PHE A CG 1 ATOM 727 C CD1 . PHE A 1 94 ? 5.765 -16.284 3.276 1.00 23.37 ? 93 PHE A CD1 1 ATOM 728 C CD2 . PHE A 1 94 ? 4.935 -14.196 2.453 1.00 24.46 ? 93 PHE A CD2 1 ATOM 729 C CE1 . PHE A 1 94 ? 5.238 -16.925 2.184 1.00 25.36 ? 93 PHE A CE1 1 ATOM 730 C CE2 . PHE A 1 94 ? 4.400 -14.846 1.335 1.00 24.38 ? 93 PHE A CE2 1 ATOM 731 C CZ . PHE A 1 94 ? 4.562 -16.212 1.222 1.00 25.14 ? 93 PHE A CZ 1 ATOM 732 N N . LEU A 1 95 ? 6.743 -14.776 8.015 1.00 17.89 ? 94 LEU A N 1 ATOM 733 C CA . LEU A 1 95 ? 7.551 -14.283 9.126 1.00 18.33 ? 94 LEU A CA 1 ATOM 734 C C . LEU A 1 95 ? 8.973 -13.989 8.651 1.00 19.42 ? 94 LEU A C 1 ATOM 735 O O . LEU A 1 95 ? 9.643 -13.094 9.158 1.00 19.15 ? 94 LEU A O 1 ATOM 736 C CB . LEU A 1 95 ? 7.565 -15.294 10.274 1.00 18.38 ? 94 LEU A CB 1 ATOM 737 C CG . LEU A 1 95 ? 6.186 -15.662 10.797 1.00 18.94 ? 94 LEU A CG 1 ATOM 738 C CD1 . LEU A 1 95 ? 6.303 -16.700 11.901 1.00 20.22 ? 94 LEU A CD1 1 ATOM 739 C CD2 . LEU A 1 95 ? 5.420 -14.435 11.266 1.00 18.99 ? 94 LEU A CD2 1 ATOM 740 N N . ASP A 1 96 ? 9.439 -14.769 7.685 1.00 19.82 ? 95 ASP A N 1 ATOM 741 C CA . ASP A 1 96 ? 10.750 -14.584 7.068 1.00 22.30 ? 95 ASP A CA 1 ATOM 742 C C . ASP A 1 96 ? 10.558 -13.902 5.733 1.00 22.84 ? 95 ASP A C 1 ATOM 743 O O . ASP A 1 96 ? 9.918 -14.467 4.835 1.00 22.74 ? 95 ASP A O 1 ATOM 744 C CB . ASP A 1 96 ? 11.438 -15.951 6.891 1.00 23.79 ? 95 ASP A CB 1 ATOM 745 C CG . ASP A 1 96 ? 12.898 -15.835 6.475 1.00 26.81 ? 95 ASP A CG 1 ATOM 746 O OD1 . ASP A 1 96 ? 13.268 -14.843 5.827 1.00 28.42 ? 95 ASP A OD1 1 ATOM 747 O OD2 . ASP A 1 96 ? 13.684 -16.752 6.821 1.00 33.44 ? 95 ASP A OD2 1 ATOM 748 N N . PRO A 1 97 ? 11.108 -12.692 5.561 1.00 24.67 ? 96 PRO A N 1 ATOM 749 C CA . PRO A 1 97 ? 10.926 -11.979 4.288 1.00 26.95 ? 96 PRO A CA 1 ATOM 750 C C . PRO A 1 97 ? 11.541 -12.666 3.066 1.00 28.16 ? 96 PRO A C 1 ATOM 751 O O . PRO A 1 97 ? 11.211 -12.279 1.957 1.00 28.41 ? 96 PRO A O 1 ATOM 752 C CB . PRO A 1 97 ? 11.589 -10.601 4.511 1.00 28.26 ? 96 PRO A CB 1 ATOM 753 C CG . PRO A 1 97 ? 12.074 -10.593 5.915 1.00 27.58 ? 96 PRO A CG 1 ATOM 754 C CD . PRO A 1 97 ? 11.969 -11.954 6.501 1.00 26.55 ? 96 PRO A CD 1 ATOM 755 N N . SER A 1 98 ? 12.389 -13.677 3.248 1.00 27.12 ? 97 SER A N 1 ATOM 756 C CA . SER A 1 98 ? 12.799 -14.533 2.130 1.00 30.91 ? 97 SER A CA 1 ATOM 757 C C . SER A 1 98 ? 11.608 -15.352 1.579 1.00 30.28 ? 97 SER A C 1 ATOM 758 O O . SER A 1 98 ? 11.706 -15.939 0.512 1.00 29.28 ? 97 SER A O 1 ATOM 759 C CB . SER A 1 98 ? 13.872 -15.513 2.568 1.00 32.13 ? 97 SER A CB 1 ATOM 760 O OG . SER A 1 98 ? 13.289 -16.553 3.337 1.00 35.23 ? 97 SER A OG 1 ATOM 761 N N . LYS A 1 99 ? 10.516 -15.397 2.344 1.00 29.01 ? 98 LYS A N 1 ATOM 762 C CA . LYS A 1 99 ? 9.291 -16.115 2.007 1.00 29.16 ? 98 LYS A CA 1 ATOM 763 C C . LYS A 1 99 ? 9.478 -17.629 2.047 1.00 29.31 ? 98 LYS A C 1 ATOM 764 O O . LYS A 1 99 ? 8.715 -18.379 1.450 1.00 29.92 ? 98 LYS A O 1 ATOM 765 C CB . LYS A 1 99 ? 8.717 -15.632 0.683 1.00 29.94 ? 98 LYS A CB 1 ATOM 766 C CG . LYS A 1 99 ? 8.408 -14.151 0.691 1.00 32.27 ? 98 LYS A CG 1 ATOM 767 C CD . LYS A 1 99 ? 7.721 -13.727 -0.587 1.00 35.99 ? 98 LYS A CD 1 ATOM 768 C CE . LYS A 1 99 ? 7.327 -12.271 -0.522 1.00 38.23 ? 98 LYS A CE 1 ATOM 769 N NZ . LYS A 1 99 ? 6.583 -11.872 -1.753 1.00 42.57 ? 98 LYS A NZ 1 ATOM 770 N N . SER A 1 100 ? 10.461 -18.061 2.825 1.00 28.54 ? 99 SER A N 1 ATOM 771 C CA . SER A 1 100 ? 10.697 -19.463 3.102 1.00 30.68 ? 99 SER A CA 1 ATOM 772 C C . SER A 1 100 ? 9.514 -20.118 3.812 1.00 28.46 ? 99 SER A C 1 ATOM 773 O O . SER A 1 100 ? 8.805 -19.478 4.607 1.00 26.71 ? 99 SER A O 1 ATOM 774 C CB . SER A 1 100 ? 11.925 -19.594 3.999 1.00 32.08 ? 99 SER A CB 1 ATOM 775 O OG . SER A 1 100 ? 12.039 -20.923 4.468 1.00 37.01 ? 99 SER A OG 1 ATOM 776 N N . SER A 1 101 ? 9.307 -21.404 3.545 1.00 27.80 ? 100 SER A N 1 ATOM 777 C CA . SER A 1 101 ? 8.164 -22.136 4.129 1.00 27.65 ? 100 SER A CA 1 ATOM 778 C C . SER A 1 101 ? 8.215 -22.178 5.644 1.00 27.11 ? 100 SER A C 1 ATOM 779 O O . SER A 1 101 ? 7.170 -22.265 6.292 1.00 25.13 ? 100 SER A O 1 ATOM 780 C CB . SER A 1 101 ? 8.087 -23.561 3.570 1.00 29.94 ? 100 SER A CB 1 ATOM 781 O OG . SER A 1 101 ? 9.248 -24.283 3.889 1.00 32.17 ? 100 SER A OG 1 ATOM 782 N N . VAL A 1 102 ? 9.432 -22.127 6.206 1.00 26.70 ? 101 VAL A N 1 ATOM 783 C CA . VAL A 1 102 ? 9.627 -22.096 7.669 1.00 27.92 ? 101 VAL A CA 1 ATOM 784 C C . VAL A 1 102 ? 8.837 -20.936 8.311 1.00 25.24 ? 101 VAL A C 1 ATOM 785 O O . VAL A 1 102 ? 8.341 -21.058 9.428 1.00 25.51 ? 101 VAL A O 1 ATOM 786 C CB . VAL A 1 102 ? 11.143 -22.025 8.075 1.00 32.27 ? 101 VAL A CB 1 ATOM 787 C CG1 . VAL A 1 102 ? 11.727 -20.645 7.796 1.00 34.72 ? 101 VAL A CG1 1 ATOM 788 C CG2 . VAL A 1 102 ? 11.309 -22.355 9.549 1.00 34.56 ? 101 VAL A CG2 1 ATOM 789 N N . GLY A 1 103 ? 8.698 -19.830 7.605 1.00 22.02 ? 102 GLY A N 1 ATOM 790 C CA . GLY A 1 103 ? 7.962 -18.718 8.145 1.00 21.07 ? 102 GLY A CA 1 ATOM 791 C C . GLY A 1 103 ? 6.572 -18.507 7.586 1.00 20.82 ? 102 GLY A C 1 ATOM 792 O O . GLY A 1 103 ? 5.967 -17.464 7.829 1.00 20.48 ? 102 GLY A O 1 ATOM 793 N N . SER A 1 104 ? 6.039 -19.473 6.851 1.00 19.44 ? 103 SER A N 1 ATOM 794 C CA . SER A 1 104 ? 4.711 -19.265 6.247 1.00 19.61 ? 103 SER A CA 1 ATOM 795 C C . SER A 1 104 ? 3.672 -19.399 7.345 1.00 19.44 ? 103 SER A C 1 ATOM 796 O O . SER A 1 104 ? 3.551 -20.455 7.959 1.00 19.99 ? 103 SER A O 1 ATOM 797 C CB . SER A 1 104 ? 4.456 -20.277 5.127 1.00 20.13 ? 103 SER A CB 1 ATOM 798 O OG . SER A 1 104 ? 3.151 -20.094 4.575 1.00 20.60 ? 103 SER A OG 1 ATOM 799 N N . TYR A 1 105 ? 2.911 -18.337 7.604 1.00 17.95 ? 104 TYR A N 1 ATOM 800 C CA . TYR A 1 105 ? 2.052 -18.301 8.788 1.00 16.47 ? 104 TYR A CA 1 ATOM 801 C C . TYR A 1 105 ? 0.591 -18.031 8.349 1.00 16.57 ? 104 TYR A C 1 ATOM 802 O O . TYR A 1 105 ? -0.180 -18.969 8.236 1.00 17.75 ? 104 TYR A O 1 ATOM 803 C CB . TYR A 1 105 ? 2.614 -17.289 9.804 1.00 16.29 ? 104 TYR A CB 1 ATOM 804 C CG . TYR A 1 105 ? 1.849 -17.129 11.102 1.00 15.25 ? 104 TYR A CG 1 ATOM 805 C CD1 . TYR A 1 105 ? 1.397 -18.231 11.814 1.00 16.19 ? 104 TYR A CD1 1 ATOM 806 C CD2 . TYR A 1 105 ? 1.592 -15.870 11.627 1.00 14.71 ? 104 TYR A CD2 1 ATOM 807 C CE1 . TYR A 1 105 ? 0.682 -18.075 13.009 1.00 15.98 ? 104 TYR A CE1 1 ATOM 808 C CE2 . TYR A 1 105 ? 0.876 -15.710 12.820 1.00 15.44 ? 104 TYR A CE2 1 ATOM 809 C CZ . TYR A 1 105 ? 0.412 -16.806 13.500 1.00 15.71 ? 104 TYR A CZ 1 ATOM 810 O OH . TYR A 1 105 ? -0.291 -16.622 14.689 1.00 15.99 ? 104 TYR A OH 1 ATOM 811 N N . PHE A 1 106 ? 0.221 -16.778 8.086 1.00 16.27 ? 105 PHE A N 1 ATOM 812 C CA . PHE A 1 106 ? -1.112 -16.487 7.546 1.00 15.92 ? 105 PHE A CA 1 ATOM 813 C C . PHE A 1 106 ? -1.195 -16.612 6.004 1.00 16.12 ? 105 PHE A C 1 ATOM 814 O O . PHE A 1 106 ? -2.266 -16.386 5.432 1.00 15.45 ? 105 PHE A O 1 ATOM 815 C CB . PHE A 1 106 ? -1.589 -15.100 7.966 1.00 16.32 ? 105 PHE A CB 1 ATOM 816 C CG . PHE A 1 106 ? -2.311 -15.045 9.280 1.00 16.83 ? 105 PHE A CG 1 ATOM 817 C CD1 . PHE A 1 106 ? -1.633 -14.808 10.457 1.00 17.57 ? 105 PHE A CD1 1 ATOM 818 C CD2 . PHE A 1 106 ? -3.683 -15.180 9.338 1.00 17.84 ? 105 PHE A CD2 1 ATOM 819 C CE1 . PHE A 1 106 ? -2.314 -14.722 11.684 1.00 18.41 ? 105 PHE A CE1 1 ATOM 820 C CE2 . PHE A 1 106 ? -4.365 -15.095 10.545 1.00 17.47 ? 105 PHE A CE2 1 ATOM 821 C CZ . PHE A 1 106 ? -3.685 -14.865 11.721 1.00 17.42 ? 105 PHE A CZ 1 ATOM 822 N N . HIS A 1 107 ? -0.095 -16.964 5.330 1.00 15.75 ? 106 HIS A N 1 ATOM 823 C CA . HIS A 1 107 ? -0.096 -16.969 3.845 1.00 15.83 ? 106 HIS A CA 1 ATOM 824 C C . HIS A 1 107 ? -1.183 -17.850 3.226 1.00 15.93 ? 106 HIS A C 1 ATOM 825 O O . HIS A 1 107 ? -1.874 -17.419 2.314 1.00 15.83 ? 106 HIS A O 1 ATOM 826 C CB . HIS A 1 107 ? 1.258 -17.349 3.271 1.00 15.92 ? 106 HIS A CB 1 ATOM 827 C CG . HIS A 1 107 ? 1.367 -17.167 1.777 1.00 17.05 ? 106 HIS A CG 1 ATOM 828 N ND1 . HIS A 1 107 ? 1.061 -15.985 1.134 1.00 17.00 ? 106 HIS A ND1 1 ATOM 829 C CD2 . HIS A 1 107 ? 1.788 -18.017 0.814 1.00 17.77 ? 106 HIS A CD2 1 ATOM 830 C CE1 . HIS A 1 107 ? 1.284 -16.114 -0.159 1.00 17.50 ? 106 HIS A CE1 1 ATOM 831 N NE2 . HIS A 1 107 ? 1.736 -17.339 -0.378 1.00 18.09 ? 106 HIS A NE2 1 ATOM 832 N N . THR A 1 108 ? -1.350 -19.065 3.713 1.00 16.14 ? 107 THR A N 1 ATOM 833 C CA . THR A 1 108 ? -2.372 -19.956 3.153 1.00 17.43 ? 107 THR A CA 1 ATOM 834 C C . THR A 1 108 ? -3.773 -19.368 3.299 1.00 16.95 ? 107 THR A C 1 ATOM 835 O O . THR A 1 108 ? -4.590 -19.401 2.359 1.00 16.49 ? 107 THR A O 1 ATOM 836 C CB . THR A 1 108 ? -2.332 -21.357 3.800 1.00 18.17 ? 107 THR A CB 1 ATOM 837 O OG1 . THR A 1 108 ? -1.041 -21.928 3.583 1.00 18.67 ? 107 THR A OG1 1 ATOM 838 C CG2 . THR A 1 108 ? -3.357 -22.274 3.194 1.00 19.24 ? 107 THR A CG2 1 ATOM 839 N N . MET A 1 109 ? -4.057 -18.813 4.462 1.00 16.68 ? 108 MET A N 1 ATOM 840 C CA . MET A 1 109 ? -5.364 -18.218 4.699 1.00 17.36 ? 108 MET A CA 1 ATOM 841 C C . MET A 1 109 ? -5.613 -16.995 3.803 1.00 17.02 ? 108 MET A C 1 ATOM 842 O O . MET A 1 109 ? -6.706 -16.814 3.286 1.00 17.26 ? 108 MET A O 1 ATOM 843 C CB . MET A 1 109 ? -5.534 -17.827 6.171 1.00 17.68 ? 108 MET A CB 1 ATOM 844 C CG . MET A 1 109 ? -6.848 -17.117 6.483 1.00 19.01 ? 108 MET A CG 1 ATOM 845 S SD . MET A 1 109 ? -7.082 -16.732 8.227 1.00 20.39 ? 108 MET A SD 1 ATOM 846 C CE . MET A 1 109 ? -7.250 -18.367 8.872 1.00 20.97 ? 108 MET A CE 1 ATOM 847 N N . VAL A 1 110 ? -4.616 -16.141 3.654 1.00 15.86 ? 109 VAL A N 1 ATOM 848 C CA . VAL A 1 110 ? -4.767 -14.949 2.827 1.00 16.05 ? 109 VAL A CA 1 ATOM 849 C C . VAL A 1 110 ? -4.911 -15.336 1.349 1.00 16.85 ? 109 VAL A C 1 ATOM 850 O O . VAL A 1 110 ? -5.736 -14.731 0.662 1.00 17.85 ? 109 VAL A O 1 ATOM 851 C CB . VAL A 1 110 ? -3.651 -13.930 3.087 1.00 15.92 ? 109 VAL A CB 1 ATOM 852 C CG1 . VAL A 1 110 ? -3.788 -12.717 2.159 1.00 16.19 ? 109 VAL A CG1 1 ATOM 853 C CG2 . VAL A 1 110 ? -3.687 -13.438 4.530 1.00 16.08 ? 109 VAL A CG2 1 ATOM 854 N N . GLU A 1 111 ? -4.165 -16.354 0.884 1.00 16.55 ? 110 GLU A N 1 ATOM 855 C CA . GLU A 1 111 ? -4.388 -16.906 -0.483 1.00 17.06 ? 110 GLU A CA 1 ATOM 856 C C . GLU A 1 111 ? -5.863 -17.282 -0.697 1.00 16.94 ? 110 GLU A C 1 ATOM 857 O O . GLU A 1 111 ? -6.466 -16.918 -1.718 1.00 16.19 ? 110 GLU A O 1 ATOM 858 C CB . GLU A 1 111 ? -3.522 -18.116 -0.765 1.00 17.87 ? 110 GLU A CB 1 ATOM 859 C CG . GLU A 1 111 ? -2.057 -17.815 -0.963 1.00 18.51 ? 110 GLU A CG 1 ATOM 860 C CD . GLU A 1 111 ? -1.754 -17.174 -2.274 1.00 18.47 ? 110 GLU A CD 1 ATOM 861 O OE1 . GLU A 1 111 ? -1.703 -17.909 -3.284 1.00 18.90 ? 110 GLU A OE1 1 ATOM 862 O OE2 . GLU A 1 111 ? -1.563 -15.925 -2.278 1.00 19.52 ? 110 GLU A OE2 1 ATOM 863 N N . SER A 1 112 ? -6.452 -17.976 0.277 1.00 17.19 ? 111 SER A N 1 ATOM 864 C CA . SER A 1 112 ? -7.883 -18.292 0.224 1.00 18.34 ? 111 SER A CA 1 ATOM 865 C C . SER A 1 112 ? -8.812 -17.068 0.206 1.00 18.02 ? 111 SER A C 1 ATOM 866 O O . SER A 1 112 ? -9.730 -16.991 -0.635 1.00 18.47 ? 111 SER A O 1 ATOM 867 C CB . SER A 1 112 ? -8.257 -19.189 1.392 1.00 20.30 ? 111 SER A CB 1 ATOM 868 O OG . SER A 1 112 ? -7.720 -20.499 1.221 1.00 22.56 ? 111 SER A OG 1 ATOM 869 N N . LEU A 1 113 ? -8.566 -16.115 1.107 1.00 17.21 ? 112 LEU A N 1 ATOM 870 C CA . LEU A 1 113 ? -9.362 -14.893 1.152 1.00 17.51 ? 112 LEU A CA 1 ATOM 871 C C . LEU A 1 113 ? -9.331 -14.158 -0.202 1.00 17.29 ? 112 LEU A C 1 ATOM 872 O O . LEU A 1 113 ? -10.360 -13.711 -0.701 1.00 17.22 ? 112 LEU A O 1 ATOM 873 C CB . LEU A 1 113 ? -8.875 -13.966 2.266 1.00 18.50 ? 112 LEU A CB 1 ATOM 874 C CG . LEU A 1 113 ? -9.205 -14.426 3.691 1.00 19.82 ? 112 LEU A CG 1 ATOM 875 C CD1 . LEU A 1 113 ? -8.356 -13.696 4.708 1.00 20.64 ? 112 LEU A CD1 1 ATOM 876 C CD2 . LEU A 1 113 ? -10.682 -14.181 3.979 1.00 20.70 ? 112 LEU A CD2 1 ATOM 877 N N . VAL A 1 114 ? -8.133 -14.024 -0.772 1.00 16.43 ? 113 VAL A N 1 ATOM 878 C CA . VAL A 1 114 ? -7.986 -13.349 -2.024 1.00 17.01 ? 113 VAL A CA 1 ATOM 879 C C . VAL A 1 114 ? -8.740 -14.108 -3.157 1.00 18.29 ? 113 VAL A C 1 ATOM 880 O O . VAL A 1 114 ? -9.415 -13.489 -4.003 1.00 17.08 ? 113 VAL A O 1 ATOM 881 C CB . VAL A 1 114 ? -6.499 -13.102 -2.303 1.00 17.26 ? 113 VAL A CB 1 ATOM 882 C CG1 . VAL A 1 114 ? -6.269 -12.675 -3.748 1.00 18.72 ? 113 VAL A CG1 1 ATOM 883 C CG2 . VAL A 1 114 ? -5.970 -12.055 -1.335 1.00 16.58 ? 113 VAL A CG2 1 ATOM 884 N N . GLY A 1 115 ? -8.665 -15.439 -3.150 1.00 18.13 ? 114 GLY A N 1 ATOM 885 C CA . GLY A 1 115 ? -9.429 -16.240 -4.074 1.00 20.35 ? 114 GLY A CA 1 ATOM 886 C C . GLY A 1 115 ? -10.940 -16.035 -3.936 1.00 21.38 ? 114 GLY A C 1 ATOM 887 O O . GLY A 1 115 ? -11.666 -16.200 -4.903 1.00 22.36 ? 114 GLY A O 1 ATOM 888 N N . TRP A 1 116 ? -11.396 -15.677 -2.738 1.00 21.39 ? 115 TRP A N 1 ATOM 889 C CA . TRP A 1 116 ? -12.801 -15.388 -2.468 1.00 21.73 ? 115 TRP A CA 1 ATOM 890 C C . TRP A 1 116 ? -13.189 -13.955 -2.803 1.00 22.72 ? 115 TRP A C 1 ATOM 891 O O . TRP A 1 116 ? -14.353 -13.600 -2.694 1.00 24.96 ? 115 TRP A O 1 ATOM 892 C CB . TRP A 1 116 ? -13.141 -15.658 -1.003 1.00 21.13 ? 115 TRP A CB 1 ATOM 893 C CG . TRP A 1 116 ? -12.866 -17.055 -0.542 1.00 20.87 ? 115 TRP A CG 1 ATOM 894 C CD1 . TRP A 1 116 ? -12.774 -18.185 -1.316 1.00 22.33 ? 115 TRP A CD1 1 ATOM 895 C CD2 . TRP A 1 116 ? -12.639 -17.468 0.791 1.00 21.02 ? 115 TRP A CD2 1 ATOM 896 N NE1 . TRP A 1 116 ? -12.498 -19.289 -0.528 1.00 22.54 ? 115 TRP A NE1 1 ATOM 897 C CE2 . TRP A 1 116 ? -12.386 -18.864 0.772 1.00 22.04 ? 115 TRP A CE2 1 ATOM 898 C CE3 . TRP A 1 116 ? -12.591 -16.794 2.005 1.00 21.05 ? 115 TRP A CE3 1 ATOM 899 C CZ2 . TRP A 1 116 ? -12.120 -19.584 1.923 1.00 21.46 ? 115 TRP A CZ2 1 ATOM 900 C CZ3 . TRP A 1 116 ? -12.320 -17.514 3.156 1.00 21.42 ? 115 TRP A CZ3 1 ATOM 901 C CH2 . TRP A 1 116 ? -12.073 -18.898 3.098 1.00 21.81 ? 115 TRP A CH2 1 ATOM 902 N N . GLY A 1 117 ? -12.233 -13.128 -3.203 1.00 22.13 ? 116 GLY A N 1 ATOM 903 C CA . GLY A 1 117 ? -12.525 -11.760 -3.630 1.00 22.14 ? 116 GLY A CA 1 ATOM 904 C C . GLY A 1 117 ? -11.986 -10.635 -2.783 1.00 20.99 ? 116 GLY A C 1 ATOM 905 O O . GLY A 1 117 ? -12.244 -9.465 -3.098 1.00 20.88 ? 116 GLY A O 1 ATOM 906 N N . TYR A 1 118 ? -11.225 -10.959 -1.731 1.00 18.78 ? 117 TYR A N 1 ATOM 907 C CA . TYR A 1 118 ? -10.597 -9.954 -0.888 1.00 18.52 ? 117 TYR A CA 1 ATOM 908 C C . TYR A 1 118 ? -9.387 -9.360 -1.575 1.00 18.66 ? 117 TYR A C 1 ATOM 909 O O . TYR A 1 118 ? -8.802 -9.995 -2.460 1.00 19.12 ? 117 TYR A O 1 ATOM 910 C CB . TYR A 1 118 ? -10.186 -10.543 0.488 1.00 17.02 ? 117 TYR A CB 1 ATOM 911 C CG . TYR A 1 118 ? -11.375 -10.684 1.383 1.00 17.40 ? 117 TYR A CG 1 ATOM 912 C CD1 . TYR A 1 118 ? -12.197 -11.801 1.306 1.00 18.27 ? 117 TYR A CD1 1 ATOM 913 C CD2 . TYR A 1 118 ? -11.703 -9.677 2.304 1.00 17.48 ? 117 TYR A CD2 1 ATOM 914 C CE1 . TYR A 1 118 ? -13.325 -11.927 2.112 1.00 18.57 ? 117 TYR A CE1 1 ATOM 915 C CE2 . TYR A 1 118 ? -12.831 -9.770 3.100 1.00 17.65 ? 117 TYR A CE2 1 ATOM 916 C CZ . TYR A 1 118 ? -13.637 -10.907 3.012 1.00 18.48 ? 117 TYR A CZ 1 ATOM 917 O OH . TYR A 1 118 ? -14.757 -11.009 3.787 1.00 19.23 ? 117 TYR A OH 1 ATOM 918 N N . THR A 1 119 ? -8.993 -8.180 -1.109 1.00 18.35 ? 118 THR A N 1 ATOM 919 C CA . THR A 1 119 ? -7.837 -7.432 -1.645 1.00 18.42 ? 118 THR A CA 1 ATOM 920 C C . THR A 1 119 ? -6.880 -7.121 -0.508 1.00 17.34 ? 118 THR A C 1 ATOM 921 O O . THR A 1 119 ? -7.245 -6.414 0.445 1.00 16.72 ? 118 THR A O 1 ATOM 922 C CB . THR A 1 119 ? -8.301 -6.114 -2.334 1.00 19.76 ? 118 THR A CB 1 ATOM 923 O OG1 . THR A 1 119 ? -9.188 -6.425 -3.402 1.00 22.06 ? 118 THR A OG1 1 ATOM 924 C CG2 . THR A 1 119 ? -7.139 -5.309 -2.886 1.00 19.71 ? 118 THR A CG2 1 ATOM 925 N N . ARG A 1 120 ? -5.635 -7.607 -0.609 1.00 16.84 ? 119 ARG A N 1 ATOM 926 C CA . ARG A 1 120 ? -4.610 -7.374 0.423 1.00 16.45 ? 119 ARG A CA 1 ATOM 927 C C . ARG A 1 120 ? -4.397 -5.901 0.699 1.00 17.41 ? 119 ARG A C 1 ATOM 928 O O . ARG A 1 120 ? -4.209 -5.122 -0.238 1.00 17.40 ? 119 ARG A O 1 ATOM 929 C CB . ARG A 1 120 ? -3.252 -7.947 -0.002 1.00 16.19 ? 119 ARG A CB 1 ATOM 930 C CG . ARG A 1 120 ? -3.162 -9.452 0.071 1.00 15.95 ? 119 ARG A CG 1 ATOM 931 C CD . ARG A 1 120 ? -1.850 -9.920 -0.538 1.00 15.75 ? 119 ARG A CD 1 ATOM 932 N NE . ARG A 1 120 ? -1.610 -11.324 -0.262 1.00 15.50 ? 119 ARG A NE 1 ATOM 933 C CZ . ARG A 1 120 ? -1.908 -12.344 -1.059 1.00 15.86 ? 119 ARG A CZ 1 ATOM 934 N NH1 . ARG A 1 120 ? -2.444 -12.152 -2.264 1.00 16.87 ? 119 ARG A NH1 1 ATOM 935 N NH2 . ARG A 1 120 ? -1.664 -13.558 -0.648 1.00 16.14 ? 119 ARG A NH2 1 ATOM 936 N N . GLY A 1 121 ? -4.451 -5.498 1.967 1.00 17.07 ? 120 GLY A N 1 ATOM 937 C CA . GLY A 1 121 ? -4.175 -4.096 2.362 1.00 17.09 ? 120 GLY A CA 1 ATOM 938 C C . GLY A 1 121 ? -5.384 -3.198 2.264 1.00 17.77 ? 120 GLY A C 1 ATOM 939 O O . GLY A 1 121 ? -5.322 -2.013 2.638 1.00 19.00 ? 120 GLY A O 1 ATOM 940 N N . GLU A 1 122 ? -6.480 -3.738 1.734 1.00 17.59 ? 121 GLU A N 1 ATOM 941 C CA A GLU A 1 122 ? -7.713 -2.979 1.578 0.50 17.81 ? 121 GLU A CA 1 ATOM 942 C CA B GLU A 1 122 ? -7.716 -2.973 1.579 0.50 17.74 ? 121 GLU A CA 1 ATOM 943 C C . GLU A 1 122 ? -8.780 -3.572 2.495 1.00 16.65 ? 121 GLU A C 1 ATOM 944 O O . GLU A 1 122 ? -8.856 -3.192 3.661 1.00 16.20 ? 121 GLU A O 1 ATOM 945 C CB A GLU A 1 122 ? -8.092 -2.895 0.085 0.50 19.18 ? 121 GLU A CB 1 ATOM 946 C CB B GLU A 1 122 ? -8.152 -2.912 0.104 0.50 18.92 ? 121 GLU A CB 1 ATOM 947 C CG A GLU A 1 122 ? -6.953 -2.139 -0.656 0.50 20.84 ? 121 GLU A CG 1 ATOM 948 C CG B GLU A 1 122 ? -7.301 -2.031 -0.780 0.50 20.43 ? 121 GLU A CG 1 ATOM 949 C CD A GLU A 1 122 ? -7.092 -1.792 -2.097 0.50 21.81 ? 121 GLU A CD 1 ATOM 950 C CD B GLU A 1 122 ? -7.771 -0.591 -0.775 0.50 20.89 ? 121 GLU A CD 1 ATOM 951 O OE1 A GLU A 1 122 ? -8.155 -2.037 -2.657 0.50 23.50 ? 121 GLU A OE1 1 ATOM 952 O OE1 B GLU A 1 122 ? -8.825 -0.290 -0.155 0.50 20.30 ? 121 GLU A OE1 1 ATOM 953 O OE2 A GLU A 1 122 ? -6.050 -1.293 -2.644 0.50 23.06 ? 121 GLU A OE2 1 ATOM 954 O OE2 B GLU A 1 122 ? -7.050 0.236 -1.378 0.50 21.14 ? 121 GLU A OE2 1 ATOM 955 N N . ASP A 1 123 ? -9.560 -4.523 2.008 1.00 16.01 ? 122 ASP A N 1 ATOM 956 C CA . ASP A 1 123 ? -10.634 -5.089 2.830 1.00 15.90 ? 122 ASP A CA 1 ATOM 957 C C . ASP A 1 123 ? -10.192 -6.319 3.652 1.00 15.20 ? 122 ASP A C 1 ATOM 958 O O . ASP A 1 123 ? -10.987 -6.863 4.395 1.00 13.66 ? 122 ASP A O 1 ATOM 959 C CB . ASP A 1 123 ? -11.914 -5.327 2.023 1.00 16.77 ? 122 ASP A CB 1 ATOM 960 C CG . ASP A 1 123 ? -11.718 -6.211 0.836 1.00 17.94 ? 122 ASP A CG 1 ATOM 961 O OD1 . ASP A 1 123 ? -10.586 -6.658 0.550 1.00 18.14 ? 122 ASP A OD1 1 ATOM 962 O OD2 . ASP A 1 123 ? -12.721 -6.484 0.179 1.00 18.50 ? 122 ASP A OD2 1 ATOM 963 N N . VAL A 1 124 ? -8.938 -6.742 3.489 1.00 14.31 ? 123 VAL A N 1 ATOM 964 C CA . VAL A 1 124 ? -8.278 -7.608 4.449 1.00 14.73 ? 123 VAL A CA 1 ATOM 965 C C . VAL A 1 124 ? -6.988 -6.925 4.882 1.00 14.69 ? 123 VAL A C 1 ATOM 966 O O . VAL A 1 124 ? -6.164 -6.558 4.019 1.00 14.49 ? 123 VAL A O 1 ATOM 967 C CB . VAL A 1 124 ? -8.051 -9.052 3.958 1.00 15.77 ? 123 VAL A CB 1 ATOM 968 C CG1 . VAL A 1 124 ? -7.216 -9.133 2.683 1.00 15.84 ? 123 VAL A CG1 1 ATOM 969 C CG2 . VAL A 1 124 ? -7.403 -9.854 5.072 1.00 16.26 ? 123 VAL A CG2 1 ATOM 970 N N . ARG A 1 125 ? -6.852 -6.689 6.193 1.00 13.77 ? 124 ARG A N 1 ATOM 971 C CA . ARG A 1 125 ? -5.662 -6.018 6.745 1.00 13.85 ? 124 ARG A CA 1 ATOM 972 C C . ARG A 1 125 ? -5.143 -6.749 7.945 1.00 14.24 ? 124 ARG A C 1 ATOM 973 O O . ARG A 1 125 ? -5.932 -7.330 8.715 1.00 14.89 ? 124 ARG A O 1 ATOM 974 C CB . ARG A 1 125 ? -5.995 -4.582 7.159 1.00 13.54 ? 124 ARG A CB 1 ATOM 975 C CG . ARG A 1 125 ? -6.514 -3.734 6.001 1.00 14.46 ? 124 ARG A CG 1 ATOM 976 C CD . ARG A 1 125 ? -6.634 -2.265 6.390 1.00 14.81 ? 124 ARG A CD 1 ATOM 977 N NE . ARG A 1 125 ? -7.396 -1.516 5.414 1.00 15.62 ? 124 ARG A NE 1 ATOM 978 C CZ . ARG A 1 125 ? -7.560 -0.206 5.448 1.00 17.29 ? 124 ARG A CZ 1 ATOM 979 N NH1 . ARG A 1 125 ? -6.991 0.531 6.409 1.00 18.58 ? 124 ARG A NH1 1 ATOM 980 N NH2 . ARG A 1 125 ? -8.309 0.380 4.527 1.00 17.51 ? 124 ARG A NH2 1 ATOM 981 N N . GLY A 1 126 ? -3.833 -6.725 8.123 1.00 13.37 ? 125 GLY A N 1 ATOM 982 C CA . GLY A 1 126 ? -3.231 -7.241 9.347 1.00 14.11 ? 125 GLY A CA 1 ATOM 983 C C . GLY A 1 126 ? -3.081 -6.218 10.446 1.00 14.22 ? 125 GLY A C 1 ATOM 984 O O . GLY A 1 126 ? -2.900 -5.011 10.201 1.00 15.27 ? 125 GLY A O 1 ATOM 985 N N . ALA A 1 127 ? -3.135 -6.704 11.677 1.00 14.29 ? 126 ALA A N 1 ATOM 986 C CA . ALA A 1 127 ? -2.877 -5.899 12.877 1.00 13.73 ? 126 ALA A CA 1 ATOM 987 C C . ALA A 1 127 ? -1.696 -6.496 13.671 1.00 13.71 ? 126 ALA A C 1 ATOM 988 O O . ALA A 1 127 ? -1.863 -7.003 14.790 1.00 14.30 ? 126 ALA A O 1 ATOM 989 C CB . ALA A 1 127 ? -4.132 -5.809 13.711 1.00 14.03 ? 126 ALA A CB 1 ATOM 990 N N . PRO A 1 128 ? -0.477 -6.468 13.076 1.00 13.05 ? 127 PRO A N 1 ATOM 991 C CA . PRO A 1 128 ? 0.709 -6.949 13.785 1.00 12.58 ? 127 PRO A CA 1 ATOM 992 C C . PRO A 1 128 ? 1.080 -6.049 14.988 1.00 13.90 ? 127 PRO A C 1 ATOM 993 O O . PRO A 1 128 ? 0.735 -4.850 15.027 1.00 12.44 ? 127 PRO A O 1 ATOM 994 C CB . PRO A 1 128 ? 1.810 -6.873 12.713 1.00 13.04 ? 127 PRO A CB 1 ATOM 995 C CG . PRO A 1 128 ? 1.370 -5.730 11.849 1.00 12.62 ? 127 PRO A CG 1 ATOM 996 C CD . PRO A 1 128 ? -0.127 -5.910 11.754 1.00 12.86 ? 127 PRO A CD 1 ATOM 997 N N . TYR A 1 129 ? 1.791 -6.630 15.957 1.00 13.95 ? 128 TYR A N 1 ATOM 998 C CA . TYR A 1 129 ? 2.151 -5.907 17.164 1.00 13.60 ? 128 TYR A CA 1 ATOM 999 C C . TYR A 1 129 ? 3.456 -6.451 17.706 1.00 13.57 ? 128 TYR A C 1 ATOM 1000 O O . TYR A 1 129 ? 3.956 -7.493 17.262 1.00 13.02 ? 128 TYR A O 1 ATOM 1001 C CB . TYR A 1 129 ? 1.036 -5.986 18.224 1.00 14.09 ? 128 TYR A CB 1 ATOM 1002 C CG . TYR A 1 129 ? 0.616 -7.392 18.592 1.00 13.59 ? 128 TYR A CG 1 ATOM 1003 C CD1 . TYR A 1 129 ? -0.302 -8.095 17.810 1.00 14.41 ? 128 TYR A CD1 1 ATOM 1004 C CD2 . TYR A 1 129 ? 1.127 -8.015 19.724 1.00 14.37 ? 128 TYR A CD2 1 ATOM 1005 C CE1 . TYR A 1 129 ? -0.663 -9.396 18.145 1.00 14.22 ? 128 TYR A CE1 1 ATOM 1006 C CE2 . TYR A 1 129 ? 0.748 -9.302 20.094 1.00 14.20 ? 128 TYR A CE2 1 ATOM 1007 C CZ . TYR A 1 129 ? -0.126 -10.001 19.293 1.00 14.33 ? 128 TYR A CZ 1 ATOM 1008 O OH . TYR A 1 129 ? -0.483 -11.291 19.614 1.00 14.28 ? 128 TYR A OH 1 ATOM 1009 N N . ASP A 1 130 ? 4.011 -5.762 18.704 1.00 14.49 ? 129 ASP A N 1 ATOM 1010 C CA . ASP A 1 130 ? 5.225 -6.261 19.374 1.00 14.75 ? 129 ASP A CA 1 ATOM 1011 C C . ASP A 1 130 ? 4.794 -7.315 20.373 1.00 15.03 ? 129 ASP A C 1 ATOM 1012 O O . ASP A 1 130 ? 4.427 -7.011 21.517 1.00 14.41 ? 129 ASP A O 1 ATOM 1013 C CB . ASP A 1 130 ? 5.983 -5.120 20.075 1.00 16.30 ? 129 ASP A CB 1 ATOM 1014 C CG . ASP A 1 130 ? 7.321 -5.568 20.634 1.00 17.49 ? 129 ASP A CG 1 ATOM 1015 O OD1 . ASP A 1 130 ? 7.569 -6.794 20.762 1.00 17.26 ? 129 ASP A OD1 1 ATOM 1016 O OD2 . ASP A 1 130 ? 8.157 -4.671 20.885 1.00 19.61 ? 129 ASP A OD2 1 ATOM 1017 N N . TRP A 1 131 ? 4.835 -8.560 19.922 1.00 14.56 ? 130 TRP A N 1 ATOM 1018 C CA . TRP A 1 131 ? 4.313 -9.692 20.681 1.00 14.93 ? 130 TRP A CA 1 ATOM 1019 C C . TRP A 1 131 ? 5.188 -10.097 21.880 1.00 15.55 ? 130 TRP A C 1 ATOM 1020 O O . TRP A 1 131 ? 4.804 -10.985 22.644 1.00 15.62 ? 130 TRP A O 1 ATOM 1021 C CB . TRP A 1 131 ? 4.067 -10.885 19.751 1.00 15.35 ? 130 TRP A CB 1 ATOM 1022 C CG . TRP A 1 131 ? 5.102 -11.018 18.655 1.00 15.75 ? 130 TRP A CG 1 ATOM 1023 C CD1 . TRP A 1 131 ? 4.945 -10.678 17.329 1.00 16.11 ? 130 TRP A CD1 1 ATOM 1024 C CD2 . TRP A 1 131 ? 6.457 -11.486 18.789 1.00 16.05 ? 130 TRP A CD2 1 ATOM 1025 N NE1 . TRP A 1 131 ? 6.085 -10.927 16.641 1.00 16.69 ? 130 TRP A NE1 1 ATOM 1026 C CE2 . TRP A 1 131 ? 7.050 -11.391 17.506 1.00 17.17 ? 130 TRP A CE2 1 ATOM 1027 C CE3 . TRP A 1 131 ? 7.227 -11.956 19.868 1.00 16.33 ? 130 TRP A CE3 1 ATOM 1028 C CZ2 . TRP A 1 131 ? 8.361 -11.777 17.255 1.00 17.24 ? 130 TRP A CZ2 1 ATOM 1029 C CZ3 . TRP A 1 131 ? 8.550 -12.343 19.620 1.00 17.33 ? 130 TRP A CZ3 1 ATOM 1030 C CH2 . TRP A 1 131 ? 9.106 -12.248 18.316 1.00 17.60 ? 130 TRP A CH2 1 ATOM 1031 N N . ARG A 1 132 ? 6.337 -9.445 22.064 1.00 14.98 ? 131 ARG A N 1 ATOM 1032 C CA . ARG A 1 132 ? 7.137 -9.639 23.281 1.00 16.23 ? 131 ARG A CA 1 ATOM 1033 C C . ARG A 1 132 ? 6.467 -8.998 24.501 1.00 16.97 ? 131 ARG A C 1 ATOM 1034 O O . ARG A 1 132 ? 6.759 -9.378 25.650 1.00 18.18 ? 131 ARG A O 1 ATOM 1035 C CB . ARG A 1 132 ? 8.534 -9.041 23.101 1.00 16.29 ? 131 ARG A CB 1 ATOM 1036 C CG . ARG A 1 132 ? 9.306 -9.689 21.955 1.00 16.61 ? 131 ARG A CG 1 ATOM 1037 C CD . ARG A 1 132 ? 10.576 -8.919 21.625 1.00 16.95 ? 131 ARG A CD 1 ATOM 1038 N NE . ARG A 1 132 ? 10.285 -7.533 21.340 1.00 16.98 ? 131 ARG A NE 1 ATOM 1039 C CZ . ARG A 1 132 ? 11.188 -6.550 21.326 1.00 18.75 ? 131 ARG A CZ 1 ATOM 1040 N NH1 . ARG A 1 132 ? 12.460 -6.800 21.602 1.00 20.01 ? 131 ARG A NH1 1 ATOM 1041 N NH2 . ARG A 1 132 ? 10.801 -5.295 21.100 1.00 18.35 ? 131 ARG A NH2 1 ATOM 1042 N N . ARG A 1 133 ? 5.609 -8.002 24.258 1.00 16.53 ? 132 ARG A N 1 ATOM 1043 C CA . ARG A 1 133 ? 4.929 -7.277 25.297 1.00 18.11 ? 132 ARG A CA 1 ATOM 1044 C C . ARG A 1 133 ? 3.500 -7.760 25.480 1.00 17.45 ? 132 ARG A C 1 ATOM 1045 O O . ARG A 1 133 ? 2.900 -8.359 24.563 1.00 17.38 ? 132 ARG A O 1 ATOM 1046 C CB . ARG A 1 133 ? 4.951 -5.787 24.972 1.00 20.43 ? 132 ARG A CB 1 ATOM 1047 C CG . ARG A 1 133 ? 6.344 -5.212 25.209 1.00 24.88 ? 132 ARG A CG 1 ATOM 1048 C CD . ARG A 1 133 ? 6.562 -3.859 24.598 1.00 28.29 ? 132 ARG A CD 1 ATOM 1049 N NE . ARG A 1 133 ? 7.630 -3.153 25.314 1.00 32.35 ? 132 ARG A NE 1 ATOM 1050 C CZ . ARG A 1 133 ? 8.154 -1.994 24.939 1.00 36.19 ? 132 ARG A CZ 1 ATOM 1051 N NH1 . ARG A 1 133 ? 7.749 -1.389 23.832 1.00 37.29 ? 132 ARG A NH1 1 ATOM 1052 N NH2 . ARG A 1 133 ? 9.098 -1.442 25.675 1.00 38.18 ? 132 ARG A NH2 1 ATOM 1053 N N . ALA A 1 134 ? 2.953 -7.469 26.649 1.00 16.70 ? 133 ALA A N 1 ATOM 1054 C CA . ALA A 1 134 ? 1.541 -7.715 26.935 1.00 15.55 ? 133 ALA A CA 1 ATOM 1055 C C . ALA A 1 134 ? 0.761 -6.438 26.666 1.00 15.68 ? 133 ALA A C 1 ATOM 1056 O O . ALA A 1 134 ? 1.359 -5.393 26.382 1.00 16.39 ? 133 ALA A O 1 ATOM 1057 C CB . ALA A 1 134 ? 1.383 -8.141 28.387 1.00 15.73 ? 133 ALA A CB 1 ATOM 1058 N N . PRO A 1 135 ? -0.583 -6.487 26.756 1.00 15.50 ? 134 PRO A N 1 ATOM 1059 C CA . PRO A 1 135 ? -1.354 -5.317 26.317 1.00 15.63 ? 134 PRO A CA 1 ATOM 1060 C C . PRO A 1 135 ? -1.107 -4.014 27.061 1.00 16.83 ? 134 PRO A C 1 ATOM 1061 O O . PRO A 1 135 ? -1.299 -2.931 26.478 1.00 18.27 ? 134 PRO A O 1 ATOM 1062 C CB . PRO A 1 135 ? -2.809 -5.785 26.486 1.00 15.54 ? 134 PRO A CB 1 ATOM 1063 C CG . PRO A 1 135 ? -2.712 -7.242 26.189 1.00 15.39 ? 134 PRO A CG 1 ATOM 1064 C CD . PRO A 1 135 ? -1.434 -7.688 26.838 1.00 15.64 ? 134 PRO A CD 1 ATOM 1065 N N . ASN A 1 136 ? -0.629 -4.094 28.305 1.00 17.37 ? 135 ASN A N 1 ATOM 1066 C CA . ASN A 1 136 ? -0.329 -2.915 29.090 1.00 19.14 ? 135 ASN A CA 1 ATOM 1067 C C . ASN A 1 136 ? 0.765 -2.041 28.489 1.00 20.06 ? 135 ASN A C 1 ATOM 1068 O O . ASN A 1 136 ? 0.820 -0.846 28.793 1.00 20.74 ? 135 ASN A O 1 ATOM 1069 C CB . ASN A 1 136 ? 0.060 -3.266 30.539 1.00 19.29 ? 135 ASN A CB 1 ATOM 1070 C CG . ASN A 1 136 ? 1.304 -4.128 30.628 1.00 19.74 ? 135 ASN A CG 1 ATOM 1071 O OD1 . ASN A 1 136 ? 1.519 -5.010 29.810 1.00 20.04 ? 135 ASN A OD1 1 ATOM 1072 N ND2 . ASN A 1 136 ? 2.173 -3.822 31.583 1.00 21.49 ? 135 ASN A ND2 1 ATOM 1073 N N . GLU A 1 137 ? 1.613 -2.612 27.642 1.00 19.61 ? 136 GLU A N 1 ATOM 1074 C CA . GLU A 1 137 ? 2.640 -1.844 26.962 1.00 20.62 ? 136 GLU A CA 1 ATOM 1075 C C . GLU A 1 137 ? 2.428 -1.757 25.451 1.00 20.28 ? 136 GLU A C 1 ATOM 1076 O O . GLU A 1 137 ? 3.371 -1.508 24.691 1.00 21.26 ? 136 GLU A O 1 ATOM 1077 C CB . GLU A 1 137 ? 4.011 -2.424 27.290 1.00 21.74 ? 136 GLU A CB 1 ATOM 1078 C CG . GLU A 1 137 ? 4.329 -2.289 28.769 1.00 25.16 ? 136 GLU A CG 1 ATOM 1079 C CD . GLU A 1 137 ? 5.754 -2.723 29.113 1.00 28.63 ? 136 GLU A CD 1 ATOM 1080 O OE1 . GLU A 1 137 ? 6.498 -1.807 29.499 1.00 36.46 ? 136 GLU A OE1 1 ATOM 1081 O OE2 . GLU A 1 137 ? 6.140 -3.927 28.989 1.00 26.87 ? 136 GLU A OE2 1 ATOM 1082 N N . ASN A 1 138 ? 1.186 -1.894 25.020 1.00 18.73 ? 137 ASN A N 1 ATOM 1083 C CA . ASN A 1 138 ? 0.831 -1.767 23.632 1.00 18.25 ? 137 ASN A CA 1 ATOM 1084 C C . ASN A 1 138 ? -0.382 -0.862 23.439 1.00 18.83 ? 137 ASN A C 1 ATOM 1085 O O . ASN A 1 138 ? -1.176 -1.053 22.512 1.00 18.48 ? 137 ASN A O 1 ATOM 1086 C CB . ASN A 1 138 ? 0.655 -3.163 22.994 1.00 17.93 ? 137 ASN A CB 1 ATOM 1087 C CG . ASN A 1 138 ? 1.904 -3.617 22.242 1.00 19.12 ? 137 ASN A CG 1 ATOM 1088 O OD1 . ASN A 1 138 ? 2.517 -2.816 21.549 1.00 22.37 ? 137 ASN A OD1 1 ATOM 1089 N ND2 . ASN A 1 138 ? 2.275 -4.885 22.360 1.00 17.88 ? 137 ASN A ND2 1 ATOM 1090 N N . GLY A 1 139 ? -0.478 0.178 24.271 1.00 19.07 ? 138 GLY A N 1 ATOM 1091 C CA . GLY A 1 139 ? -1.557 1.165 24.166 1.00 18.98 ? 138 GLY A CA 1 ATOM 1092 C C . GLY A 1 139 ? -1.711 1.744 22.762 1.00 19.04 ? 138 GLY A C 1 ATOM 1093 O O . GLY A 1 139 ? -2.826 1.794 22.219 1.00 18.18 ? 138 GLY A O 1 ATOM 1094 N N . PRO A 1 140 ? -0.612 2.234 22.167 1.00 19.71 ? 139 PRO A N 1 ATOM 1095 C CA . PRO A 1 140 ? -0.709 2.839 20.828 1.00 19.52 ? 139 PRO A CA 1 ATOM 1096 C C . PRO A 1 140 ? -1.245 1.861 19.757 1.00 19.26 ? 139 PRO A C 1 ATOM 1097 O O . PRO A 1 140 ? -2.032 2.260 18.883 1.00 19.46 ? 139 PRO A O 1 ATOM 1098 C CB . PRO A 1 140 ? 0.745 3.277 20.535 1.00 21.53 ? 139 PRO A CB 1 ATOM 1099 C CG . PRO A 1 140 ? 1.286 3.575 21.897 1.00 21.05 ? 139 PRO A CG 1 ATOM 1100 C CD . PRO A 1 140 ? 0.705 2.501 22.790 1.00 21.36 ? 139 PRO A CD 1 ATOM 1101 N N . TYR A 1 141 ? -0.870 0.588 19.856 1.00 16.53 ? 140 TYR A N 1 ATOM 1102 C CA . TYR A 1 141 ? -1.435 -0.433 18.978 1.00 16.24 ? 140 TYR A CA 1 ATOM 1103 C C . TYR A 1 141 ? -2.973 -0.469 19.038 1.00 15.71 ? 140 TYR A C 1 ATOM 1104 O O . TYR A 1 141 ? -3.634 -0.536 17.996 1.00 15.92 ? 140 TYR A O 1 ATOM 1105 C CB . TYR A 1 141 ? -0.879 -1.804 19.353 1.00 16.05 ? 140 TYR A CB 1 ATOM 1106 C CG . TYR A 1 141 ? -1.588 -2.970 18.728 1.00 15.37 ? 140 TYR A CG 1 ATOM 1107 C CD1 . TYR A 1 141 ? -1.303 -3.365 17.426 1.00 15.39 ? 140 TYR A CD1 1 ATOM 1108 C CD2 . TYR A 1 141 ? -2.542 -3.720 19.449 1.00 15.88 ? 140 TYR A CD2 1 ATOM 1109 C CE1 . TYR A 1 141 ? -1.934 -4.461 16.847 1.00 15.35 ? 140 TYR A CE1 1 ATOM 1110 C CE2 . TYR A 1 141 ? -3.145 -4.817 18.879 1.00 15.42 ? 140 TYR A CE2 1 ATOM 1111 C CZ . TYR A 1 141 ? -2.856 -5.175 17.576 1.00 15.39 ? 140 TYR A CZ 1 ATOM 1112 O OH . TYR A 1 141 ? -3.473 -6.272 16.993 1.00 16.37 ? 140 TYR A OH 1 ATOM 1113 N N . PHE A 1 142 ? -3.542 -0.449 20.239 1.00 16.53 ? 141 PHE A N 1 ATOM 1114 C CA . PHE A 1 142 ? -5.002 -0.536 20.385 1.00 16.59 ? 141 PHE A CA 1 ATOM 1115 C C . PHE A 1 142 ? -5.703 0.708 19.846 1.00 17.87 ? 141 PHE A C 1 ATOM 1116 O O . PHE A 1 142 ? -6.801 0.615 19.287 1.00 18.13 ? 141 PHE A O 1 ATOM 1117 C CB . PHE A 1 142 ? -5.417 -0.827 21.827 1.00 17.03 ? 141 PHE A CB 1 ATOM 1118 C CG . PHE A 1 142 ? -4.950 -2.167 22.307 1.00 16.61 ? 141 PHE A CG 1 ATOM 1119 C CD1 . PHE A 1 142 ? -5.448 -3.323 21.738 1.00 16.34 ? 141 PHE A CD1 1 ATOM 1120 C CD2 . PHE A 1 142 ? -3.965 -2.272 23.279 1.00 17.28 ? 141 PHE A CD2 1 ATOM 1121 C CE1 . PHE A 1 142 ? -5.004 -4.565 22.153 1.00 15.97 ? 141 PHE A CE1 1 ATOM 1122 C CE2 . PHE A 1 142 ? -3.501 -3.511 23.684 1.00 16.66 ? 141 PHE A CE2 1 ATOM 1123 C CZ . PHE A 1 142 ? -4.034 -4.661 23.118 1.00 16.09 ? 141 PHE A CZ 1 ATOM 1124 N N . LEU A 1 143 ? -5.072 1.870 20.007 1.00 18.97 ? 142 LEU A N 1 ATOM 1125 C CA . LEU A 1 143 ? -5.605 3.083 19.397 1.00 20.55 ? 142 LEU A CA 1 ATOM 1126 C C . LEU A 1 143 ? -5.606 2.964 17.871 1.00 18.22 ? 142 LEU A C 1 ATOM 1127 O O . LEU A 1 143 ? -6.602 3.289 17.215 1.00 19.04 ? 142 LEU A O 1 ATOM 1128 C CB . LEU A 1 143 ? -4.839 4.337 19.872 1.00 22.57 ? 142 LEU A CB 1 ATOM 1129 C CG . LEU A 1 143 ? -4.850 4.637 21.376 1.00 26.54 ? 142 LEU A CG 1 ATOM 1130 C CD1 . LEU A 1 143 ? -3.797 5.694 21.742 1.00 28.48 ? 142 LEU A CD1 1 ATOM 1131 C CD2 . LEU A 1 143 ? -6.226 5.098 21.789 1.00 28.44 ? 142 LEU A CD2 1 ATOM 1132 N N . ALA A 1 144 ? -4.510 2.476 17.311 1.00 17.38 ? 143 ALA A N 1 ATOM 1133 C CA . ALA A 1 144 ? -4.405 2.289 15.850 1.00 17.31 ? 143 ALA A CA 1 ATOM 1134 C C . ALA A 1 144 ? -5.401 1.250 15.349 1.00 16.54 ? 143 ALA A C 1 ATOM 1135 O O . ALA A 1 144 ? -5.954 1.377 14.258 1.00 16.58 ? 143 ALA A O 1 ATOM 1136 C CB . ALA A 1 144 ? -2.986 1.870 15.459 1.00 18.00 ? 143 ALA A CB 1 ATOM 1137 N N . LEU A 1 145 ? -5.599 0.193 16.119 1.00 16.28 ? 144 LEU A N 1 ATOM 1138 C CA . LEU A 1 145 ? -6.547 -0.862 15.742 1.00 16.05 ? 144 LEU A CA 1 ATOM 1139 C C . LEU A 1 145 ? -7.971 -0.294 15.693 1.00 16.54 ? 144 LEU A C 1 ATOM 1140 O O . LEU A 1 145 ? -8.726 -0.555 14.745 1.00 15.47 ? 144 LEU A O 1 ATOM 1141 C CB . LEU A 1 145 ? -6.451 -2.028 16.725 1.00 16.16 ? 144 LEU A CB 1 ATOM 1142 C CG . LEU A 1 145 ? -7.418 -3.213 16.595 1.00 16.65 ? 144 LEU A CG 1 ATOM 1143 C CD1 . LEU A 1 145 ? -7.272 -3.850 15.220 1.00 17.09 ? 144 LEU A CD1 1 ATOM 1144 C CD2 . LEU A 1 145 ? -7.173 -4.254 17.671 1.00 17.42 ? 144 LEU A CD2 1 ATOM 1145 N N . ARG A 1 146 ? -8.340 0.471 16.719 1.00 17.21 ? 145 ARG A N 1 ATOM 1146 C CA . ARG A 1 146 ? -9.663 1.091 16.764 1.00 18.32 ? 145 ARG A CA 1 ATOM 1147 C C . ARG A 1 146 ? -9.852 2.011 15.542 1.00 18.01 ? 145 ARG A C 1 ATOM 1148 O O . ARG A 1 146 ? -10.877 1.952 14.861 1.00 17.38 ? 145 ARG A O 1 ATOM 1149 C CB . ARG A 1 146 ? -9.871 1.882 18.052 1.00 20.64 ? 145 ARG A CB 1 ATOM 1150 C CG . ARG A 1 146 ? -11.203 2.601 18.129 1.00 23.41 ? 145 ARG A CG 1 ATOM 1151 C CD . ARG A 1 146 ? -11.362 3.340 19.460 1.00 27.20 ? 145 ARG A CD 1 ATOM 1152 N NE . ARG A 1 146 ? -12.433 4.337 19.405 1.00 29.50 ? 145 ARG A NE 1 ATOM 1153 C CZ . ARG A 1 146 ? -13.590 4.316 20.086 1.00 32.88 ? 145 ARG A CZ 1 ATOM 1154 N NH1 . ARG A 1 146 ? -13.908 3.332 20.935 1.00 34.00 ? 145 ARG A NH1 1 ATOM 1155 N NH2 . ARG A 1 146 ? -14.461 5.310 19.901 1.00 33.01 ? 145 ARG A NH2 1 ATOM 1156 N N A GLU A 1 147 ? -8.853 2.837 15.259 0.50 18.18 ? 146 GLU A N 1 ATOM 1157 N N B GLU A 1 147 ? -8.851 2.839 15.257 0.50 18.52 ? 146 GLU A N 1 ATOM 1158 C CA A GLU A 1 147 ? -8.906 3.733 14.108 0.50 19.19 ? 146 GLU A CA 1 ATOM 1159 C CA B GLU A 1 147 ? -8.908 3.734 14.102 0.50 19.59 ? 146 GLU A CA 1 ATOM 1160 C C A GLU A 1 147 ? -8.987 2.977 12.772 0.50 18.31 ? 146 GLU A C 1 ATOM 1161 C C B GLU A 1 147 ? -8.987 2.978 12.768 0.50 18.56 ? 146 GLU A C 1 ATOM 1162 O O A GLU A 1 147 ? -9.736 3.379 11.881 0.50 17.78 ? 146 GLU A O 1 ATOM 1163 O O B GLU A 1 147 ? -9.737 3.379 11.879 0.50 17.98 ? 146 GLU A O 1 ATOM 1164 C CB A GLU A 1 147 ? -7.704 4.683 14.124 0.50 20.52 ? 146 GLU A CB 1 ATOM 1165 C CB B GLU A 1 147 ? -7.732 4.720 14.112 0.50 21.48 ? 146 GLU A CB 1 ATOM 1166 C CG A GLU A 1 147 ? -7.641 5.652 12.959 0.50 22.98 ? 146 GLU A CG 1 ATOM 1167 C CG B GLU A 1 147 ? -7.817 5.704 15.273 0.50 24.40 ? 146 GLU A CG 1 ATOM 1168 C CD A GLU A 1 147 ? -8.737 6.711 12.990 0.50 25.13 ? 146 GLU A CD 1 ATOM 1169 C CD B GLU A 1 147 ? -6.579 6.587 15.451 0.50 28.26 ? 146 GLU A CD 1 ATOM 1170 O OE1 A GLU A 1 147 ? -9.510 6.770 13.974 0.50 27.45 ? 146 GLU A OE1 1 ATOM 1171 O OE1 B GLU A 1 147 ? -5.478 6.226 14.984 0.50 31.93 ? 146 GLU A OE1 1 ATOM 1172 O OE2 A GLU A 1 147 ? -8.826 7.486 12.015 0.50 28.56 ? 146 GLU A OE2 1 ATOM 1173 O OE2 B GLU A 1 147 ? -6.702 7.654 16.086 0.50 32.09 ? 146 GLU A OE2 1 ATOM 1174 N N . MET A 1 148 ? -8.229 1.889 12.634 1.00 17.26 ? 147 MET A N 1 ATOM 1175 C CA . MET A 1 148 ? -8.233 1.114 11.418 1.00 17.28 ? 147 MET A CA 1 ATOM 1176 C C . MET A 1 148 ? -9.604 0.467 11.180 1.00 16.38 ? 147 MET A C 1 ATOM 1177 O O . MET A 1 148 ? -10.124 0.455 10.059 1.00 15.70 ? 147 MET A O 1 ATOM 1178 C CB . MET A 1 148 ? -7.149 0.031 11.439 1.00 17.35 ? 147 MET A CB 1 ATOM 1179 C CG . MET A 1 148 ? -7.103 -0.797 10.172 1.00 18.95 ? 147 MET A CG 1 ATOM 1180 S SD . MET A 1 148 ? -5.608 -1.818 10.040 1.00 20.82 ? 147 MET A SD 1 ATOM 1181 C CE . MET A 1 148 ? -5.915 -3.061 11.244 1.00 19.42 ? 147 MET A CE 1 ATOM 1182 N N . ILE A 1 149 ? -10.179 -0.063 12.243 1.00 16.22 ? 148 ILE A N 1 ATOM 1183 C CA . ILE A 1 149 ? -11.518 -0.671 12.162 1.00 15.98 ? 148 ILE A CA 1 ATOM 1184 C C . ILE A 1 149 ? -12.552 0.365 11.714 1.00 16.80 ? 148 ILE A C 1 ATOM 1185 O O . ILE A 1 149 ? -13.371 0.094 10.849 1.00 16.32 ? 148 ILE A O 1 ATOM 1186 C CB . ILE A 1 149 ? -11.900 -1.335 13.493 1.00 16.71 ? 148 ILE A CB 1 ATOM 1187 C CG1 . ILE A 1 149 ? -11.093 -2.628 13.660 1.00 16.51 ? 148 ILE A CG1 1 ATOM 1188 C CG2 . ILE A 1 149 ? -13.392 -1.657 13.539 1.00 17.63 ? 148 ILE A CG2 1 ATOM 1189 C CD1 . ILE A 1 149 ? -11.114 -3.182 15.056 1.00 16.60 ? 148 ILE A CD1 1 ATOM 1190 N N . GLU A 1 150 ? -12.517 1.549 12.313 1.00 17.70 ? 149 GLU A N 1 ATOM 1191 C CA . GLU A 1 150 ? -13.435 2.614 11.922 1.00 19.24 ? 149 GLU A CA 1 ATOM 1192 C C . GLU A 1 150 ? -13.247 3.022 10.448 1.00 18.44 ? 149 GLU A C 1 ATOM 1193 O O . GLU A 1 150 ? -14.233 3.234 9.726 1.00 19.00 ? 149 GLU A O 1 ATOM 1194 C CB . GLU A 1 150 ? -13.276 3.817 12.863 1.00 20.90 ? 149 GLU A CB 1 ATOM 1195 C CG . GLU A 1 150 ? -13.696 3.493 14.290 1.00 22.57 ? 149 GLU A CG 1 ATOM 1196 C CD . GLU A 1 150 ? -13.632 4.696 15.230 1.00 26.52 ? 149 GLU A CD 1 ATOM 1197 O OE1 . GLU A 1 150 ? -14.104 4.625 16.390 1.00 25.79 ? 149 GLU A OE1 1 ATOM 1198 O OE2 . GLU A 1 150 ? -13.099 5.740 14.800 1.00 30.05 ? 149 GLU A OE2 1 ATOM 1199 N N A GLU A 1 151 ? -11.995 3.129 10.005 0.50 18.41 ? 150 GLU A N 1 ATOM 1200 N N B GLU A 1 151 ? -11.994 3.131 10.004 0.50 17.47 ? 150 GLU A N 1 ATOM 1201 C CA A GLU A 1 151 ? -11.695 3.472 8.615 0.50 19.22 ? 150 GLU A CA 1 ATOM 1202 C CA B GLU A 1 151 ? -11.686 3.474 8.611 0.50 17.66 ? 150 GLU A CA 1 ATOM 1203 C C A GLU A 1 151 ? -12.229 2.408 7.658 0.50 18.24 ? 150 GLU A C 1 ATOM 1204 C C B GLU A 1 151 ? -12.227 2.408 7.658 0.50 17.39 ? 150 GLU A C 1 ATOM 1205 O O A GLU A 1 151 ? -12.832 2.724 6.630 0.50 18.25 ? 150 GLU A O 1 ATOM 1206 O O B GLU A 1 151 ? -12.832 2.724 6.630 0.50 17.48 ? 150 GLU A O 1 ATOM 1207 C CB A GLU A 1 151 ? -10.188 3.678 8.411 0.50 20.43 ? 150 GLU A CB 1 ATOM 1208 C CB B GLU A 1 151 ? -10.169 3.655 8.407 0.50 17.51 ? 150 GLU A CB 1 ATOM 1209 C CG A GLU A 1 151 ? -9.655 4.895 9.137 0.50 21.95 ? 150 GLU A CG 1 ATOM 1210 C CG B GLU A 1 151 ? -9.730 3.762 6.940 0.50 17.45 ? 150 GLU A CG 1 ATOM 1211 C CD A GLU A 1 151 ? -8.141 4.996 9.134 0.50 23.83 ? 150 GLU A CD 1 ATOM 1212 C CD B GLU A 1 151 ? -8.209 3.948 6.693 0.50 17.48 ? 150 GLU A CD 1 ATOM 1213 O OE1 A GLU A 1 151 ? -7.456 4.014 8.810 0.50 24.88 ? 150 GLU A OE1 1 ATOM 1214 O OE1 B GLU A 1 151 ? -7.622 4.835 7.362 0.50 18.72 ? 150 GLU A OE1 1 ATOM 1215 O OE2 A GLU A 1 151 ? -7.630 6.078 9.478 0.50 27.84 ? 150 GLU A OE2 1 ATOM 1216 O OE2 B GLU A 1 151 ? -7.606 3.274 5.803 0.50 14.87 ? 150 GLU A OE2 1 ATOM 1217 N N . MET A 1 152 ? -12.051 1.142 8.014 1.00 17.21 ? 151 MET A N 1 ATOM 1218 C CA . MET A 1 152 ? -12.522 0.044 7.158 1.00 17.09 ? 151 MET A CA 1 ATOM 1219 C C . MET A 1 152 ? -14.052 0.047 7.074 1.00 17.62 ? 151 MET A C 1 ATOM 1220 O O . MET A 1 152 ? -14.633 -0.194 6.009 1.00 16.99 ? 151 MET A O 1 ATOM 1221 C CB . MET A 1 152 ? -12.008 -1.282 7.663 1.00 16.87 ? 151 MET A CB 1 ATOM 1222 C CG . MET A 1 152 ? -10.492 -1.406 7.520 1.00 17.16 ? 151 MET A CG 1 ATOM 1223 S SD . MET A 1 152 ? -9.829 -2.898 8.289 1.00 17.59 ? 151 MET A SD 1 ATOM 1224 C CE . MET A 1 152 ? -10.209 -4.122 7.025 1.00 17.08 ? 151 MET A CE 1 ATOM 1225 N N . TYR A 1 153 ? -14.696 0.334 8.191 1.00 17.78 ? 152 TYR A N 1 ATOM 1226 C CA . TYR A 1 153 ? -16.165 0.414 8.215 1.00 18.96 ? 152 TYR A CA 1 ATOM 1227 C C . TYR A 1 153 ? -16.652 1.529 7.253 1.00 19.74 ? 152 TYR A C 1 ATOM 1228 O O . TYR A 1 153 ? -17.601 1.333 6.490 1.00 19.99 ? 152 TYR A O 1 ATOM 1229 C CB . TYR A 1 153 ? -16.622 0.677 9.655 1.00 19.39 ? 152 TYR A CB 1 ATOM 1230 C CG . TYR A 1 153 ? -18.081 1.065 9.788 1.00 20.81 ? 152 TYR A CG 1 ATOM 1231 C CD1 . TYR A 1 153 ? -18.489 2.377 9.645 1.00 22.00 ? 152 TYR A CD1 1 ATOM 1232 C CD2 . TYR A 1 153 ? -19.052 0.103 10.043 1.00 22.53 ? 152 TYR A CD2 1 ATOM 1233 C CE1 . TYR A 1 153 ? -19.829 2.731 9.778 1.00 23.97 ? 152 TYR A CE1 1 ATOM 1234 C CE2 . TYR A 1 153 ? -20.391 0.445 10.189 1.00 23.75 ? 152 TYR A CE2 1 ATOM 1235 C CZ . TYR A 1 153 ? -20.767 1.754 10.046 1.00 24.83 ? 152 TYR A CZ 1 ATOM 1236 O OH . TYR A 1 153 ? -22.096 2.082 10.174 1.00 27.41 ? 152 TYR A OH 1 ATOM 1237 N N . GLN A 1 154 ? -16.004 2.689 7.309 1.00 20.94 ? 153 GLN A N 1 ATOM 1238 C CA . GLN A 1 154 ? -16.380 3.839 6.486 1.00 23.30 ? 153 GLN A CA 1 ATOM 1239 C C . GLN A 1 154 ? -16.080 3.626 5.020 1.00 21.42 ? 153 GLN A C 1 ATOM 1240 O O . GLN A 1 154 ? -16.921 3.930 4.173 1.00 20.42 ? 153 GLN A O 1 ATOM 1241 C CB . GLN A 1 154 ? -15.667 5.114 6.941 1.00 27.70 ? 153 GLN A CB 1 ATOM 1242 C CG . GLN A 1 154 ? -16.030 5.587 8.339 1.00 35.48 ? 153 GLN A CG 1 ATOM 1243 C CD . GLN A 1 154 ? -15.243 6.811 8.816 1.00 45.46 ? 153 GLN A CD 1 ATOM 1244 O OE1 . GLN A 1 154 ? -13.999 6.837 8.841 1.00 50.92 ? 153 GLN A OE1 1 ATOM 1245 N NE2 . GLN A 1 154 ? -15.981 7.848 9.208 1.00 52.78 ? 153 GLN A NE2 1 ATOM 1246 N N . LEU A 1 155 ? -14.906 3.061 4.713 1.00 18.73 ? 154 LEU A N 1 ATOM 1247 C CA . LEU A 1 155 ? -14.533 2.803 3.333 1.00 19.21 ? 154 LEU A CA 1 ATOM 1248 C C . LEU A 1 155 ? -15.402 1.727 2.689 1.00 19.02 ? 154 LEU A C 1 ATOM 1249 O O . LEU A 1 155 ? -15.872 1.903 1.559 1.00 19.72 ? 154 LEU A O 1 ATOM 1250 C CB . LEU A 1 155 ? -13.053 2.366 3.220 1.00 17.96 ? 154 LEU A CB 1 ATOM 1251 C CG . LEU A 1 155 ? -12.030 3.476 3.441 1.00 18.51 ? 154 LEU A CG 1 ATOM 1252 C CD1 . LEU A 1 155 ? -10.646 2.862 3.575 1.00 18.59 ? 154 LEU A CD1 1 ATOM 1253 C CD2 . LEU A 1 155 ? -12.061 4.474 2.289 1.00 19.66 ? 154 LEU A CD2 1 ATOM 1254 N N . TYR A 1 156 ? -15.565 0.605 3.370 1.00 18.59 ? 155 TYR A N 1 ATOM 1255 C CA . TYR A 1 156 ? -16.144 -0.595 2.736 1.00 19.35 ? 155 TYR A CA 1 ATOM 1256 C C . TYR A 1 156 ? -17.614 -0.773 3.046 1.00 21.13 ? 155 TYR A C 1 ATOM 1257 O O . TYR A 1 156 ? -18.230 -1.666 2.506 1.00 22.67 ? 155 TYR A O 1 ATOM 1258 C CB . TYR A 1 156 ? -15.317 -1.861 3.051 1.00 18.23 ? 155 TYR A CB 1 ATOM 1259 C CG . TYR A 1 156 ? -13.822 -1.587 2.815 1.00 16.66 ? 155 TYR A CG 1 ATOM 1260 C CD1 . TYR A 1 156 ? -13.356 -1.228 1.551 1.00 16.85 ? 155 TYR A CD1 1 ATOM 1261 C CD2 . TYR A 1 156 ? -12.906 -1.683 3.845 1.00 15.66 ? 155 TYR A CD2 1 ATOM 1262 C CE1 . TYR A 1 156 ? -11.997 -0.946 1.336 1.00 16.45 ? 155 TYR A CE1 1 ATOM 1263 C CE2 . TYR A 1 156 ? -11.565 -1.413 3.641 1.00 15.85 ? 155 TYR A CE2 1 ATOM 1264 C CZ . TYR A 1 156 ? -11.116 -1.025 2.375 1.00 15.94 ? 155 TYR A CZ 1 ATOM 1265 O OH . TYR A 1 156 ? -9.777 -0.744 2.194 1.00 15.46 ? 155 TYR A OH 1 ATOM 1266 N N . GLY A 1 157 ? -18.180 0.074 3.902 1.00 21.29 ? 156 GLY A N 1 ATOM 1267 C CA . GLY A 1 157 ? -19.632 0.132 4.076 1.00 22.41 ? 156 GLY A CA 1 ATOM 1268 C C . GLY A 1 157 ? -20.263 -0.886 5.035 1.00 23.33 ? 156 GLY A C 1 ATOM 1269 O O . GLY A 1 157 ? -21.462 -1.128 4.954 1.00 23.92 ? 156 GLY A O 1 ATOM 1270 N N . GLY A 1 158 ? -19.497 -1.450 5.959 1.00 21.67 ? 157 GLY A N 1 ATOM 1271 C CA . GLY A 1 158 ? -20.076 -2.322 6.989 1.00 22.51 ? 157 GLY A CA 1 ATOM 1272 C C . GLY A 1 158 ? -19.088 -2.774 8.054 1.00 21.32 ? 157 GLY A C 1 ATOM 1273 O O . GLY A 1 158 ? -17.876 -2.497 7.921 1.00 19.91 ? 157 GLY A O 1 ATOM 1274 N N . PRO A 1 159 ? -19.592 -3.453 9.111 1.00 20.47 ? 158 PRO A N 1 ATOM 1275 C CA . PRO A 1 159 ? -18.749 -3.863 10.212 1.00 19.79 ? 158 PRO A CA 1 ATOM 1276 C C . PRO A 1 159 ? -17.752 -4.973 9.860 1.00 19.53 ? 158 PRO A C 1 ATOM 1277 O O . PRO A 1 159 ? -17.968 -5.719 8.913 1.00 19.01 ? 158 PRO A O 1 ATOM 1278 C CB . PRO A 1 159 ? -19.742 -4.324 11.282 1.00 20.58 ? 158 PRO A CB 1 ATOM 1279 C CG . PRO A 1 159 ? -21.018 -4.623 10.563 1.00 21.26 ? 158 PRO A CG 1 ATOM 1280 C CD . PRO A 1 159 ? -21.027 -3.699 9.385 1.00 21.55 ? 158 PRO A CD 1 ATOM 1281 N N . VAL A 1 160 ? -16.692 -5.050 10.654 1.00 19.28 ? 159 VAL A N 1 ATOM 1282 C CA . VAL A 1 160 ? -15.522 -5.899 10.392 1.00 19.59 ? 159 VAL A CA 1 ATOM 1283 C C . VAL A 1 160 ? -15.593 -7.251 11.108 1.00 18.49 ? 159 VAL A C 1 ATOM 1284 O O . VAL A 1 160 ? -16.141 -7.367 12.220 1.00 18.63 ? 159 VAL A O 1 ATOM 1285 C CB . VAL A 1 160 ? -14.167 -5.229 10.767 1.00 20.78 ? 159 VAL A CB 1 ATOM 1286 C CG1 . VAL A 1 160 ? -14.120 -3.825 10.199 1.00 22.63 ? 159 VAL A CG1 1 ATOM 1287 C CG2 . VAL A 1 160 ? -13.913 -5.249 12.264 1.00 23.64 ? 159 VAL A CG2 1 ATOM 1288 N N . VAL A 1 161 ? -14.983 -8.263 10.501 1.00 17.50 ? 160 VAL A N 1 ATOM 1289 C CA . VAL A 1 161 ? -14.792 -9.559 11.167 1.00 17.44 ? 160 VAL A CA 1 ATOM 1290 C C . VAL A 1 161 ? -13.335 -9.627 11.617 1.00 17.14 ? 160 VAL A C 1 ATOM 1291 O O . VAL A 1 161 ? -12.429 -9.426 10.801 1.00 16.74 ? 160 VAL A O 1 ATOM 1292 C CB . VAL A 1 161 ? -15.126 -10.738 10.233 1.00 17.30 ? 160 VAL A CB 1 ATOM 1293 C CG1 . VAL A 1 161 ? -14.754 -12.073 10.864 1.00 17.46 ? 160 VAL A CG1 1 ATOM 1294 C CG2 . VAL A 1 161 ? -16.598 -10.707 9.863 1.00 18.33 ? 160 VAL A CG2 1 ATOM 1295 N N . LEU A 1 162 ? -13.132 -9.864 12.914 1.00 16.78 ? 161 LEU A N 1 ATOM 1296 C CA . LEU A 1 162 ? -11.811 -10.052 13.487 1.00 17.24 ? 161 LEU A CA 1 ATOM 1297 C C . LEU A 1 162 ? -11.485 -11.536 13.451 1.00 16.94 ? 161 LEU A C 1 ATOM 1298 O O . LEU A 1 162 ? -12.302 -12.341 13.866 1.00 16.78 ? 161 LEU A O 1 ATOM 1299 C CB . LEU A 1 162 ? -11.786 -9.556 14.930 1.00 18.43 ? 161 LEU A CB 1 ATOM 1300 C CG . LEU A 1 162 ? -12.153 -8.088 15.137 1.00 19.76 ? 161 LEU A CG 1 ATOM 1301 C CD1 . LEU A 1 162 ? -12.316 -7.716 16.590 1.00 20.84 ? 161 LEU A CD1 1 ATOM 1302 C CD2 . LEU A 1 162 ? -11.090 -7.222 14.515 1.00 21.86 ? 161 LEU A CD2 1 ATOM 1303 N N . VAL A 1 163 ? -10.308 -11.886 12.949 1.00 15.80 ? 162 VAL A N 1 ATOM 1304 C CA . VAL A 1 163 ? -9.887 -13.278 12.902 1.00 15.57 ? 162 VAL A CA 1 ATOM 1305 C C . VAL A 1 163 ? -8.543 -13.317 13.631 1.00 15.07 ? 162 VAL A C 1 ATOM 1306 O O . VAL A 1 163 ? -7.588 -12.680 13.181 1.00 15.94 ? 162 VAL A O 1 ATOM 1307 C CB . VAL A 1 163 ? -9.711 -13.785 11.462 1.00 16.31 ? 162 VAL A CB 1 ATOM 1308 C CG1 . VAL A 1 163 ? -9.268 -15.265 11.468 1.00 16.53 ? 162 VAL A CG1 1 ATOM 1309 C CG2 . VAL A 1 163 ? -11.003 -13.646 10.677 1.00 17.16 ? 162 VAL A CG2 1 ATOM 1310 N N . ALA A 1 164 ? -8.476 -14.012 14.768 1.00 14.99 ? 163 ALA A N 1 ATOM 1311 C CA . ALA A 1 164 ? -7.272 -14.029 15.604 1.00 14.72 ? 163 ALA A CA 1 ATOM 1312 C C . ALA A 1 164 ? -6.789 -15.442 15.868 1.00 15.00 ? 163 ALA A C 1 ATOM 1313 O O . ALA A 1 164 ? -7.577 -16.371 15.965 1.00 14.69 ? 163 ALA A O 1 ATOM 1314 C CB . ALA A 1 164 ? -7.511 -13.317 16.931 1.00 14.97 ? 163 ALA A CB 1 ATOM 1315 N N . HIS A 1 165 ? -5.471 -15.586 15.968 1.00 14.79 ? 164 HIS A N 1 ATOM 1316 C CA . HIS A 1 165 ? -4.854 -16.868 16.234 1.00 15.22 ? 164 HIS A CA 1 ATOM 1317 C C . HIS A 1 165 ? -4.059 -16.794 17.527 1.00 15.07 ? 164 HIS A C 1 ATOM 1318 O O . HIS A 1 165 ? -3.346 -15.810 17.808 1.00 13.36 ? 164 HIS A O 1 ATOM 1319 C CB . HIS A 1 165 ? -3.919 -17.265 15.105 1.00 16.24 ? 164 HIS A CB 1 ATOM 1320 C CG . HIS A 1 165 ? -3.250 -18.585 15.325 1.00 16.58 ? 164 HIS A CG 1 ATOM 1321 N ND1 . HIS A 1 165 ? -1.877 -18.710 15.422 1.00 17.98 ? 164 HIS A ND1 1 ATOM 1322 C CD2 . HIS A 1 165 ? -3.756 -19.828 15.464 1.00 17.22 ? 164 HIS A CD2 1 ATOM 1323 C CE1 . HIS A 1 165 ? -1.566 -19.978 15.613 1.00 18.03 ? 164 HIS A CE1 1 ATOM 1324 N NE2 . HIS A 1 165 ? -2.686 -20.681 15.634 1.00 18.01 ? 164 HIS A NE2 1 ATOM 1325 N N . SER A 1 166 ? -4.224 -17.831 18.330 1.00 15.15 ? 165 SER A N 1 ATOM 1326 C CA . SER A 1 166 ? -3.418 -18.035 19.523 1.00 15.86 ? 165 SER A CA 1 ATOM 1327 C C . SER A 1 166 ? -3.472 -16.807 20.449 1.00 15.30 ? 165 SER A C 1 ATOM 1328 O O . SER A 1 166 ? -4.570 -16.341 20.761 1.00 15.27 ? 165 SER A O 1 ATOM 1329 C CB . SER A 1 166 ? -2.007 -18.447 19.091 1.00 16.89 ? 165 SER A CB 1 ATOM 1330 O OG . SER A 1 166 ? -1.331 -19.073 20.167 1.00 20.30 ? 165 SER A OG 1 ATOM 1331 N N . MET A 1 167 ? -2.326 -16.294 20.900 1.00 14.94 ? 166 MET A N 1 ATOM 1332 C CA . MET A 1 167 ? -2.315 -15.146 21.810 1.00 16.09 ? 166 MET A CA 1 ATOM 1333 C C . MET A 1 167 ? -3.043 -13.928 21.238 1.00 14.66 ? 166 MET A C 1 ATOM 1334 O O . MET A 1 167 ? -3.472 -13.056 21.997 1.00 14.73 ? 166 MET A O 1 ATOM 1335 C CB . MET A 1 167 ? -0.869 -14.761 22.136 1.00 17.80 ? 166 MET A CB 1 ATOM 1336 C CG . MET A 1 167 ? -0.751 -13.623 23.105 1.00 19.96 ? 166 MET A CG 1 ATOM 1337 S SD . MET A 1 167 ? 0.983 -13.400 23.597 1.00 19.83 ? 166 MET A SD 1 ATOM 1338 C CE . MET A 1 167 ? 1.588 -12.330 22.302 1.00 18.87 ? 166 MET A CE 1 ATOM 1339 N N . GLY A 1 168 ? -3.172 -13.852 19.914 1.00 13.87 ? 167 GLY A N 1 ATOM 1340 C CA . GLY A 1 168 ? -3.916 -12.742 19.298 1.00 13.93 ? 167 GLY A CA 1 ATOM 1341 C C . GLY A 1 168 ? -5.331 -12.674 19.821 1.00 13.90 ? 167 GLY A C 1 ATOM 1342 O O . GLY A 1 168 ? -5.944 -11.630 19.837 1.00 14.92 ? 167 GLY A O 1 ATOM 1343 N N . ASN A 1 169 ? -5.862 -13.804 20.268 1.00 14.49 ? 168 ASN A N 1 ATOM 1344 C CA . ASN A 1 169 ? -7.209 -13.818 20.836 1.00 14.88 ? 168 ASN A CA 1 ATOM 1345 C C . ASN A 1 169 ? -7.306 -13.095 22.165 1.00 15.53 ? 168 ASN A C 1 ATOM 1346 O O . ASN A 1 169 ? -8.298 -12.439 22.452 1.00 14.99 ? 168 ASN A O 1 ATOM 1347 C CB . ASN A 1 169 ? -7.676 -15.255 21.011 1.00 15.15 ? 168 ASN A CB 1 ATOM 1348 C CG . ASN A 1 169 ? -7.959 -15.913 19.685 1.00 15.93 ? 168 ASN A CG 1 ATOM 1349 O OD1 . ASN A 1 169 ? -8.968 -15.633 19.066 1.00 16.21 ? 168 ASN A OD1 1 ATOM 1350 N ND2 . ASN A 1 169 ? -7.071 -16.805 19.244 1.00 15.34 ? 168 ASN A ND2 1 ATOM 1351 N N . MET A 1 170 ? -6.259 -13.192 22.965 1.00 16.16 ? 169 MET A N 1 ATOM 1352 C CA . MET A 1 170 ? -6.208 -12.502 24.243 1.00 16.84 ? 169 MET A CA 1 ATOM 1353 C C . MET A 1 170 ? -5.996 -10.995 24.042 1.00 15.55 ? 169 MET A C 1 ATOM 1354 O O . MET A 1 170 ? -6.593 -10.179 24.755 1.00 15.16 ? 169 MET A O 1 ATOM 1355 C CB . MET A 1 170 ? -5.148 -13.145 25.147 1.00 18.30 ? 169 MET A CB 1 ATOM 1356 C CG . MET A 1 170 ? -5.568 -14.536 25.646 1.00 21.15 ? 169 MET A CG 1 ATOM 1357 S SD . MET A 1 170 ? -6.753 -14.338 27.005 1.00 26.72 ? 169 MET A SD 1 ATOM 1358 C CE . MET A 1 170 ? -5.656 -13.953 28.359 1.00 28.19 ? 169 MET A CE 1 ATOM 1359 N N . TYR A 1 171 ? -5.163 -10.619 23.066 1.00 15.01 ? 170 TYR A N 1 ATOM 1360 C CA . TYR A 1 171 ? -5.063 -9.204 22.635 1.00 14.67 ? 170 TYR A CA 1 ATOM 1361 C C . TYR A 1 171 ? -6.439 -8.670 22.195 1.00 15.32 ? 170 TYR A C 1 ATOM 1362 O O . TYR A 1 171 ? -6.832 -7.568 22.582 1.00 15.34 ? 170 TYR A O 1 ATOM 1363 C CB . TYR A 1 171 ? -4.047 -9.044 21.512 1.00 14.42 ? 170 TYR A CB 1 ATOM 1364 C CG . TYR A 1 171 ? -2.712 -8.571 22.018 1.00 14.91 ? 170 TYR A CG 1 ATOM 1365 C CD1 . TYR A 1 171 ? -1.908 -9.380 22.790 1.00 15.00 ? 170 TYR A CD1 1 ATOM 1366 C CD2 . TYR A 1 171 ? -2.288 -7.271 21.769 1.00 15.93 ? 170 TYR A CD2 1 ATOM 1367 C CE1 . TYR A 1 171 ? -0.684 -8.919 23.283 1.00 15.61 ? 170 TYR A CE1 1 ATOM 1368 C CE2 . TYR A 1 171 ? -1.091 -6.802 22.267 1.00 16.88 ? 170 TYR A CE2 1 ATOM 1369 C CZ . TYR A 1 171 ? -0.309 -7.621 23.044 1.00 16.09 ? 170 TYR A CZ 1 ATOM 1370 O OH . TYR A 1 171 ? 0.880 -7.116 23.520 1.00 16.29 ? 170 TYR A OH 1 ATOM 1371 N N . THR A 1 172 ? -7.138 -9.446 21.372 1.00 15.19 ? 171 THR A N 1 ATOM 1372 C CA . THR A 1 172 ? -8.447 -9.041 20.849 1.00 15.59 ? 171 THR A CA 1 ATOM 1373 C C . THR A 1 172 ? -9.493 -8.933 21.985 1.00 16.49 ? 171 THR A C 1 ATOM 1374 O O . THR A 1 172 ? -10.274 -7.959 22.023 1.00 16.60 ? 171 THR A O 1 ATOM 1375 C CB . THR A 1 172 ? -8.907 -9.990 19.732 1.00 16.65 ? 171 THR A CB 1 ATOM 1376 O OG1 . THR A 1 172 ? -7.927 -9.995 18.683 1.00 15.60 ? 171 THR A OG1 1 ATOM 1377 C CG2 . THR A 1 172 ? -10.252 -9.539 19.153 1.00 17.47 ? 171 THR A CG2 1 ATOM 1378 N N . LEU A 1 173 ? -9.498 -9.900 22.907 1.00 16.15 ? 172 LEU A N 1 ATOM 1379 C CA . LEU A 1 173 ? -10.414 -9.842 24.061 1.00 17.77 ? 172 LEU A CA 1 ATOM 1380 C C . LEU A 1 173 ? -10.157 -8.598 24.932 1.00 17.03 ? 172 LEU A C 1 ATOM 1381 O O . LEU A 1 173 ? -11.094 -7.889 25.321 1.00 16.29 ? 172 LEU A O 1 ATOM 1382 C CB . LEU A 1 173 ? -10.321 -11.122 24.884 1.00 18.75 ? 172 LEU A CB 1 ATOM 1383 C CG . LEU A 1 173 ? -11.229 -11.166 26.132 1.00 19.90 ? 172 LEU A CG 1 ATOM 1384 C CD1 . LEU A 1 173 ? -12.696 -11.046 25.759 1.00 19.80 ? 172 LEU A CD1 1 ATOM 1385 C CD2 . LEU A 1 173 ? -10.940 -12.449 26.904 1.00 20.62 ? 172 LEU A CD2 1 ATOM 1386 N N . TYR A 1 174 ? -8.882 -8.302 25.185 1.00 16.09 ? 173 TYR A N 1 ATOM 1387 C CA . TYR A 1 174 ? -8.528 -7.106 25.927 1.00 17.11 ? 173 TYR A CA 1 ATOM 1388 C C . TYR A 1 174 ? -9.116 -5.882 25.250 1.00 17.53 ? 173 TYR A C 1 ATOM 1389 O O . TYR A 1 174 ? -9.760 -5.036 25.890 1.00 18.88 ? 173 TYR A O 1 ATOM 1390 C CB . TYR A 1 174 ? -7.004 -6.994 26.034 1.00 16.75 ? 173 TYR A CB 1 ATOM 1391 C CG . TYR A 1 174 ? -6.493 -5.702 26.645 1.00 18.24 ? 173 TYR A CG 1 ATOM 1392 C CD1 . TYR A 1 174 ? -6.304 -5.591 28.023 1.00 19.88 ? 173 TYR A CD1 1 ATOM 1393 C CD2 . TYR A 1 174 ? -6.212 -4.603 25.861 1.00 18.83 ? 173 TYR A CD2 1 ATOM 1394 C CE1 . TYR A 1 174 ? -5.831 -4.422 28.581 1.00 20.97 ? 173 TYR A CE1 1 ATOM 1395 C CE2 . TYR A 1 174 ? -5.732 -3.423 26.405 1.00 19.73 ? 173 TYR A CE2 1 ATOM 1396 C CZ . TYR A 1 174 ? -5.545 -3.343 27.766 1.00 22.30 ? 173 TYR A CZ 1 ATOM 1397 O OH . TYR A 1 174 ? -5.066 -2.171 28.317 1.00 24.77 ? 173 TYR A OH 1 ATOM 1398 N N . PHE A 1 175 ? -8.888 -5.787 23.942 1.00 17.14 ? 174 PHE A N 1 ATOM 1399 C CA . PHE A 1 175 ? -9.387 -4.653 23.176 1.00 17.42 ? 174 PHE A CA 1 ATOM 1400 C C . PHE A 1 175 ? -10.919 -4.525 23.291 1.00 18.04 ? 174 PHE A C 1 ATOM 1401 O O . PHE A 1 175 ? -11.454 -3.452 23.584 1.00 17.84 ? 174 PHE A O 1 ATOM 1402 C CB . PHE A 1 175 ? -8.974 -4.806 21.720 1.00 17.33 ? 174 PHE A CB 1 ATOM 1403 C CG . PHE A 1 175 ? -9.570 -3.775 20.797 1.00 17.74 ? 174 PHE A CG 1 ATOM 1404 C CD1 . PHE A 1 175 ? -9.126 -2.455 20.829 1.00 18.16 ? 174 PHE A CD1 1 ATOM 1405 C CD2 . PHE A 1 175 ? -10.549 -4.131 19.875 1.00 17.63 ? 174 PHE A CD2 1 ATOM 1406 C CE1 . PHE A 1 175 ? -9.631 -1.513 19.947 1.00 18.55 ? 174 PHE A CE1 1 ATOM 1407 C CE2 . PHE A 1 175 ? -11.077 -3.186 18.999 1.00 18.51 ? 174 PHE A CE2 1 ATOM 1408 C CZ . PHE A 1 175 ? -10.626 -1.877 19.035 1.00 18.89 ? 174 PHE A CZ 1 ATOM 1409 N N . LEU A 1 176 ? -11.610 -5.622 23.038 1.00 17.48 ? 175 LEU A N 1 ATOM 1410 C CA . LEU A 1 176 ? -13.083 -5.606 23.027 1.00 18.60 ? 175 LEU A CA 1 ATOM 1411 C C . LEU A 1 176 ? -13.695 -5.335 24.397 1.00 19.68 ? 175 LEU A C 1 ATOM 1412 O O . LEU A 1 176 ? -14.729 -4.642 24.498 1.00 20.11 ? 175 LEU A O 1 ATOM 1413 C CB . LEU A 1 176 ? -13.632 -6.913 22.437 1.00 18.14 ? 175 LEU A CB 1 ATOM 1414 C CG . LEU A 1 176 ? -13.332 -7.119 20.943 1.00 18.07 ? 175 LEU A CG 1 ATOM 1415 C CD1 . LEU A 1 176 ? -13.775 -8.521 20.561 1.00 18.25 ? 175 LEU A CD1 1 ATOM 1416 C CD2 . LEU A 1 176 ? -14.010 -6.077 20.056 1.00 18.16 ? 175 LEU A CD2 1 ATOM 1417 N N . GLN A 1 177 ? -13.072 -5.873 25.447 1.00 19.42 ? 176 GLN A N 1 ATOM 1418 C CA . GLN A 1 177 ? -13.537 -5.599 26.815 1.00 21.27 ? 176 GLN A CA 1 ATOM 1419 C C . GLN A 1 177 ? -13.506 -4.100 27.126 1.00 22.39 ? 176 GLN A C 1 ATOM 1420 O O . GLN A 1 177 ? -14.304 -3.606 27.940 1.00 22.80 ? 176 GLN A O 1 ATOM 1421 C CB . GLN A 1 177 ? -12.699 -6.368 27.849 1.00 21.40 ? 176 GLN A CB 1 ATOM 1422 C CG . GLN A 1 177 ? -13.020 -7.855 27.896 1.00 21.73 ? 176 GLN A CG 1 ATOM 1423 C CD . GLN A 1 177 ? -12.232 -8.590 28.964 1.00 22.08 ? 176 GLN A CD 1 ATOM 1424 O OE1 . GLN A 1 177 ? -11.236 -8.086 29.464 1.00 22.00 ? 176 GLN A OE1 1 ATOM 1425 N NE2 . GLN A 1 177 ? -12.683 -9.779 29.319 1.00 21.78 ? 176 GLN A NE2 1 ATOM 1426 N N . ARG A 1 178 ? -12.608 -3.376 26.485 1.00 22.55 ? 177 ARG A N 1 ATOM 1427 C CA . ARG A 1 178 ? -12.471 -1.956 26.738 1.00 24.72 ? 177 ARG A CA 1 ATOM 1428 C C . ARG A 1 178 ? -13.216 -1.028 25.783 1.00 25.02 ? 177 ARG A C 1 ATOM 1429 O O . ARG A 1 178 ? -13.081 0.172 25.910 1.00 25.77 ? 177 ARG A O 1 ATOM 1430 C CB . ARG A 1 178 ? -10.986 -1.612 26.824 1.00 26.09 ? 177 ARG A CB 1 ATOM 1431 C CG . ARG A 1 178 ? -10.426 -2.187 28.122 1.00 29.01 ? 177 ARG A CG 1 ATOM 1432 C CD . ARG A 1 178 ? -8.922 -2.225 28.193 1.00 30.75 ? 177 ARG A CD 1 ATOM 1433 N NE . ARG A 1 178 ? -8.441 -2.740 29.484 1.00 36.36 ? 177 ARG A NE 1 ATOM 1434 C CZ . ARG A 1 178 ? -8.657 -3.947 29.998 1.00 40.69 ? 177 ARG A CZ 1 ATOM 1435 N NH1 . ARG A 1 178 ? -9.393 -4.868 29.355 1.00 42.99 ? 177 ARG A NH1 1 ATOM 1436 N NH2 . ARG A 1 178 ? -8.123 -4.241 31.196 1.00 41.21 ? 177 ARG A NH2 1 ATOM 1437 N N . GLN A 1 179 ? -13.986 -1.556 24.823 1.00 23.21 ? 178 GLN A N 1 ATOM 1438 C CA . GLN A 1 179 ? -14.759 -0.688 23.935 1.00 23.30 ? 178 GLN A CA 1 ATOM 1439 C C . GLN A 1 179 ? -16.209 -0.727 24.392 1.00 23.77 ? 178 GLN A C 1 ATOM 1440 O O . GLN A 1 179 ? -16.682 -1.764 24.780 1.00 22.76 ? 178 GLN A O 1 ATOM 1441 C CB . GLN A 1 179 ? -14.683 -1.131 22.466 1.00 23.03 ? 178 GLN A CB 1 ATOM 1442 C CG . GLN A 1 179 ? -13.281 -1.302 21.877 1.00 23.77 ? 178 GLN A CG 1 ATOM 1443 C CD . GLN A 1 179 ? -12.339 -0.193 22.288 1.00 25.01 ? 178 GLN A CD 1 ATOM 1444 O OE1 . GLN A 1 179 ? -12.598 0.976 22.028 1.00 25.69 ? 178 GLN A OE1 1 ATOM 1445 N NE2 . GLN A 1 179 ? -11.252 -0.549 22.937 1.00 25.92 ? 178 GLN A NE2 1 ATOM 1446 N N . PRO A 1 180 ? -16.907 0.406 24.340 1.00 23.56 ? 179 PRO A N 1 ATOM 1447 C CA . PRO A 1 180 ? -18.334 0.422 24.702 1.00 25.18 ? 179 PRO A CA 1 ATOM 1448 C C . PRO A 1 180 ? -19.146 -0.542 23.831 1.00 24.72 ? 179 PRO A C 1 ATOM 1449 O O . PRO A 1 180 ? -18.818 -0.737 22.649 1.00 22.85 ? 179 PRO A O 1 ATOM 1450 C CB . PRO A 1 180 ? -18.754 1.870 24.405 1.00 25.69 ? 179 PRO A CB 1 ATOM 1451 C CG . PRO A 1 180 ? -17.488 2.655 24.509 1.00 26.29 ? 179 PRO A CG 1 ATOM 1452 C CD . PRO A 1 180 ? -16.400 1.745 24.006 1.00 24.33 ? 179 PRO A CD 1 ATOM 1453 N N . GLN A 1 181 ? -20.209 -1.095 24.398 1.00 24.10 ? 180 GLN A N 1 ATOM 1454 C CA . GLN A 1 181 ? -21.055 -2.025 23.665 1.00 25.04 ? 180 GLN A CA 1 ATOM 1455 C C . GLN A 1 181 ? -21.611 -1.410 22.377 1.00 25.28 ? 180 GLN A C 1 ATOM 1456 O O . GLN A 1 181 ? -21.681 -2.077 21.359 1.00 23.81 ? 180 GLN A O 1 ATOM 1457 C CB . GLN A 1 181 ? -22.212 -2.532 24.555 1.00 26.73 ? 180 GLN A CB 1 ATOM 1458 C CG . GLN A 1 181 ? -23.022 -3.653 23.928 1.00 26.71 ? 180 GLN A CG 1 ATOM 1459 C CD . GLN A 1 181 ? -22.177 -4.905 23.739 1.00 27.25 ? 180 GLN A CD 1 ATOM 1460 O OE1 . GLN A 1 181 ? -21.528 -5.366 24.674 1.00 28.92 ? 180 GLN A OE1 1 ATOM 1461 N NE2 . GLN A 1 181 ? -22.157 -5.443 22.523 1.00 26.01 ? 180 GLN A NE2 1 ATOM 1462 N N . ALA A 1 182 ? -21.991 -0.132 22.415 1.00 24.79 ? 181 ALA A N 1 ATOM 1463 C CA . ALA A 1 182 ? -22.520 0.526 21.231 1.00 25.29 ? 181 ALA A CA 1 ATOM 1464 C C . ALA A 1 182 ? -21.476 0.618 20.104 1.00 24.03 ? 181 ALA A C 1 ATOM 1465 O O . ALA A 1 182 ? -21.834 0.521 18.928 1.00 23.77 ? 181 ALA A O 1 ATOM 1466 C CB . ALA A 1 182 ? -23.033 1.925 21.572 1.00 25.85 ? 181 ALA A CB 1 ATOM 1467 N N . TRP A 1 183 ? -20.209 0.807 20.464 1.00 22.02 ? 182 TRP A N 1 ATOM 1468 C CA . TRP A 1 183 ? -19.116 0.849 19.478 1.00 21.44 ? 182 TRP A CA 1 ATOM 1469 C C . TRP A 1 183 ? -18.984 -0.526 18.832 1.00 20.52 ? 182 TRP A C 1 ATOM 1470 O O . TRP A 1 183 ? -18.916 -0.631 17.607 1.00 20.25 ? 182 TRP A O 1 ATOM 1471 C CB . TRP A 1 183 ? -17.786 1.243 20.129 1.00 21.17 ? 182 TRP A CB 1 ATOM 1472 C CG . TRP A 1 183 ? -16.691 1.426 19.147 1.00 20.92 ? 182 TRP A CG 1 ATOM 1473 C CD1 . TRP A 1 183 ? -16.305 2.591 18.534 1.00 20.98 ? 182 TRP A CD1 1 ATOM 1474 C CD2 . TRP A 1 183 ? -15.811 0.401 18.645 1.00 20.24 ? 182 TRP A CD2 1 ATOM 1475 N NE1 . TRP A 1 183 ? -15.245 2.351 17.695 1.00 21.13 ? 182 TRP A NE1 1 ATOM 1476 C CE2 . TRP A 1 183 ? -14.919 1.020 17.743 1.00 20.24 ? 182 TRP A CE2 1 ATOM 1477 C CE3 . TRP A 1 183 ? -15.700 -0.980 18.864 1.00 20.40 ? 182 TRP A CE3 1 ATOM 1478 C CZ2 . TRP A 1 183 ? -13.944 0.298 17.044 1.00 18.98 ? 182 TRP A CZ2 1 ATOM 1479 C CZ3 . TRP A 1 183 ? -14.721 -1.687 18.199 1.00 19.69 ? 182 TRP A CZ3 1 ATOM 1480 C CH2 . TRP A 1 183 ? -13.851 -1.044 17.292 1.00 18.72 ? 182 TRP A CH2 1 ATOM 1481 N N . LYS A 1 184 ? -18.990 -1.580 19.644 1.00 20.28 ? 183 LYS A N 1 ATOM 1482 C CA . LYS A 1 184 ? -18.854 -2.937 19.126 1.00 19.66 ? 183 LYS A CA 1 ATOM 1483 C C . LYS A 1 184 ? -20.020 -3.302 18.223 1.00 20.65 ? 183 LYS A C 1 ATOM 1484 O O . LYS A 1 184 ? -19.839 -3.956 17.205 1.00 19.90 ? 183 LYS A O 1 ATOM 1485 C CB . LYS A 1 184 ? -18.683 -3.940 20.267 1.00 19.60 ? 183 LYS A CB 1 ATOM 1486 C CG . LYS A 1 184 ? -17.352 -3.752 20.984 1.00 19.18 ? 183 LYS A CG 1 ATOM 1487 C CD . LYS A 1 184 ? -17.104 -4.753 22.107 1.00 19.37 ? 183 LYS A CD 1 ATOM 1488 C CE . LYS A 1 184 ? -18.006 -4.552 23.290 1.00 19.95 ? 183 LYS A CE 1 ATOM 1489 N NZ . LYS A 1 184 ? -17.509 -5.257 24.494 1.00 20.27 ? 183 LYS A NZ 1 ATOM 1490 N N . ASP A 1 185 ? -21.224 -2.899 18.606 1.00 21.86 ? 184 ASP A N 1 ATOM 1491 C CA . ASP A 1 185 ? -22.425 -3.218 17.810 1.00 24.31 ? 184 ASP A CA 1 ATOM 1492 C C . ASP A 1 185 ? -22.402 -2.531 16.447 1.00 24.27 ? 184 ASP A C 1 ATOM 1493 O O . ASP A 1 185 ? -22.895 -3.082 15.472 1.00 24.42 ? 184 ASP A O 1 ATOM 1494 C CB . ASP A 1 185 ? -23.695 -2.825 18.566 1.00 27.09 ? 184 ASP A CB 1 ATOM 1495 C CG . ASP A 1 185 ? -23.956 -3.705 19.798 1.00 30.41 ? 184 ASP A CG 1 ATOM 1496 O OD1 . ASP A 1 185 ? -23.297 -4.764 19.970 1.00 31.14 ? 184 ASP A OD1 1 ATOM 1497 O OD2 . ASP A 1 185 ? -24.831 -3.306 20.599 1.00 34.68 ? 184 ASP A OD2 1 ATOM 1498 N N . LYS A 1 186 ? -21.809 -1.339 16.369 1.00 23.83 ? 185 LYS A N 1 ATOM 1499 C CA . LYS A 1 186 ? -21.679 -0.633 15.104 1.00 24.02 ? 185 LYS A CA 1 ATOM 1500 C C . LYS A 1 186 ? -20.542 -1.188 14.240 1.00 21.55 ? 185 LYS A C 1 ATOM 1501 O O . LYS A 1 186 ? -20.725 -1.418 13.058 1.00 20.38 ? 185 LYS A O 1 ATOM 1502 C CB . LYS A 1 186 ? -21.425 0.846 15.342 1.00 25.78 ? 185 LYS A CB 1 ATOM 1503 C CG . LYS A 1 186 ? -21.204 1.639 14.075 1.00 27.57 ? 185 LYS A CG 1 ATOM 1504 C CD . LYS A 1 186 ? -21.243 3.134 14.367 1.00 30.46 ? 185 LYS A CD 1 ATOM 1505 C CE . LYS A 1 186 ? -21.042 3.944 13.099 1.00 33.07 ? 185 LYS A CE 1 ATOM 1506 N NZ . LYS A 1 186 ? -20.920 5.381 13.450 1.00 36.64 ? 185 LYS A NZ 1 ATOM 1507 N N . TYR A 1 187 ? -19.378 -1.430 14.847 1.00 20.13 ? 186 TYR A N 1 ATOM 1508 C CA . TYR A 1 187 ? -18.153 -1.669 14.064 1.00 19.19 ? 186 TYR A CA 1 ATOM 1509 C C . TYR A 1 187 ? -17.692 -3.118 13.927 1.00 19.16 ? 186 TYR A C 1 ATOM 1510 O O . TYR A 1 187 ? -16.891 -3.407 13.033 1.00 17.79 ? 186 TYR A O 1 ATOM 1511 C CB . TYR A 1 187 ? -17.004 -0.847 14.647 1.00 19.04 ? 186 TYR A CB 1 ATOM 1512 C CG . TYR A 1 187 ? -17.192 0.640 14.440 1.00 19.92 ? 186 TYR A CG 1 ATOM 1513 C CD1 . TYR A 1 187 ? -17.024 1.226 13.183 1.00 21.24 ? 186 TYR A CD1 1 ATOM 1514 C CD2 . TYR A 1 187 ? -17.511 1.473 15.504 1.00 21.57 ? 186 TYR A CD2 1 ATOM 1515 C CE1 . TYR A 1 187 ? -17.176 2.596 12.992 1.00 21.81 ? 186 TYR A CE1 1 ATOM 1516 C CE2 . TYR A 1 187 ? -17.679 2.850 15.324 1.00 22.55 ? 186 TYR A CE2 1 ATOM 1517 C CZ . TYR A 1 187 ? -17.513 3.393 14.066 1.00 23.55 ? 186 TYR A CZ 1 ATOM 1518 O OH . TYR A 1 187 ? -17.672 4.748 13.877 1.00 26.16 ? 186 TYR A OH 1 ATOM 1519 N N . ILE A 1 188 ? -18.165 -4.023 14.780 1.00 18.81 ? 187 ILE A N 1 ATOM 1520 C CA . ILE A 1 188 ? -17.697 -5.428 14.778 1.00 19.55 ? 187 ILE A CA 1 ATOM 1521 C C . ILE A 1 188 ? -18.835 -6.321 14.338 1.00 20.87 ? 187 ILE A C 1 ATOM 1522 O O . ILE A 1 188 ? -19.895 -6.348 14.964 1.00 21.73 ? 187 ILE A O 1 ATOM 1523 C CB . ILE A 1 188 ? -17.181 -5.894 16.156 1.00 19.96 ? 187 ILE A CB 1 ATOM 1524 C CG1 . ILE A 1 188 ? -16.106 -4.939 16.694 1.00 19.83 ? 187 ILE A CG1 1 ATOM 1525 C CG2 . ILE A 1 188 ? -16.650 -7.337 16.100 1.00 20.05 ? 187 ILE A CG2 1 ATOM 1526 C CD1 . ILE A 1 188 ? -14.875 -4.797 15.826 1.00 19.24 ? 187 ILE A CD1 1 ATOM 1527 N N . ARG A 1 189 ? -18.624 -7.060 13.251 1.00 20.83 ? 188 ARG A N 1 ATOM 1528 C CA . ARG A 1 189 ? -19.585 -8.041 12.783 1.00 21.44 ? 188 ARG A CA 1 ATOM 1529 C C . ARG A 1 189 ? -19.465 -9.350 13.589 1.00 21.02 ? 188 ARG A C 1 ATOM 1530 O O . ARG A 1 189 ? -20.459 -9.932 14.011 1.00 20.05 ? 188 ARG A O 1 ATOM 1531 C CB . ARG A 1 189 ? -19.396 -8.321 11.289 1.00 23.37 ? 188 ARG A CB 1 ATOM 1532 C CG . ARG A 1 189 ? -20.432 -9.294 10.738 1.00 27.23 ? 188 ARG A CG 1 ATOM 1533 C CD . ARG A 1 189 ? -20.509 -9.481 9.233 1.00 31.04 ? 188 ARG A CD 1 ATOM 1534 N NE . ARG A 1 189 ? -21.111 -8.304 8.662 1.00 36.40 ? 188 ARG A NE 1 ATOM 1535 C CZ . ARG A 1 189 ? -22.418 -8.115 8.456 1.00 39.69 ? 188 ARG A CZ 1 ATOM 1536 N NH1 . ARG A 1 189 ? -23.336 -9.049 8.750 1.00 41.05 ? 188 ARG A NH1 1 ATOM 1537 N NH2 . ARG A 1 189 ? -22.797 -6.955 7.944 1.00 41.61 ? 188 ARG A NH2 1 ATOM 1538 N N . ALA A 1 190 ? -18.252 -9.849 13.730 1.00 19.11 ? 189 ALA A N 1 ATOM 1539 C CA . ALA A 1 190 ? -18.010 -11.130 14.398 1.00 19.04 ? 189 ALA A CA 1 ATOM 1540 C C . ALA A 1 190 ? -16.540 -11.234 14.743 1.00 17.72 ? 189 ALA A C 1 ATOM 1541 O O . ALA A 1 190 ? -15.711 -10.482 14.224 1.00 17.23 ? 189 ALA A O 1 ATOM 1542 C CB . ALA A 1 190 ? -18.412 -12.300 13.514 1.00 19.57 ? 189 ALA A CB 1 ATOM 1543 N N . PHE A 1 191 ? -16.236 -12.155 15.647 1.00 17.61 ? 190 PHE A N 1 ATOM 1544 C CA . PHE A 1 191 ? -14.869 -12.455 16.101 1.00 16.91 ? 190 PHE A CA 1 ATOM 1545 C C . PHE A 1 191 ? -14.721 -13.969 15.906 1.00 17.68 ? 190 PHE A C 1 ATOM 1546 O O . PHE A 1 191 ? -15.441 -14.759 16.537 1.00 17.99 ? 190 PHE A O 1 ATOM 1547 C CB . PHE A 1 191 ? -14.755 -11.998 17.568 1.00 17.17 ? 190 PHE A CB 1 ATOM 1548 C CG . PHE A 1 191 ? -13.474 -12.379 18.295 1.00 17.05 ? 190 PHE A CG 1 ATOM 1549 C CD1 . PHE A 1 191 ? -12.347 -12.840 17.654 1.00 17.36 ? 190 PHE A CD1 1 ATOM 1550 C CD2 . PHE A 1 191 ? -13.423 -12.216 19.678 1.00 17.75 ? 190 PHE A CD2 1 ATOM 1551 C CE1 . PHE A 1 191 ? -11.198 -13.163 18.376 1.00 17.41 ? 190 PHE A CE1 1 ATOM 1552 C CE2 . PHE A 1 191 ? -12.292 -12.542 20.415 1.00 18.32 ? 190 PHE A CE2 1 ATOM 1553 C CZ . PHE A 1 191 ? -11.162 -12.998 19.756 1.00 17.96 ? 190 PHE A CZ 1 ATOM 1554 N N . VAL A 1 192 ? -13.821 -14.358 14.997 1.00 17.24 ? 191 VAL A N 1 ATOM 1555 C CA . VAL A 1 192 ? -13.491 -15.749 14.757 1.00 17.29 ? 191 VAL A CA 1 ATOM 1556 C C . VAL A 1 192 ? -12.171 -16.015 15.518 1.00 17.00 ? 191 VAL A C 1 ATOM 1557 O O . VAL A 1 192 ? -11.129 -15.420 15.220 1.00 16.08 ? 191 VAL A O 1 ATOM 1558 C CB . VAL A 1 192 ? -13.325 -16.048 13.272 1.00 17.83 ? 191 VAL A CB 1 ATOM 1559 C CG1 . VAL A 1 192 ? -12.908 -17.503 13.062 1.00 18.88 ? 191 VAL A CG1 1 ATOM 1560 C CG2 . VAL A 1 192 ? -14.607 -15.770 12.528 1.00 18.75 ? 191 VAL A CG2 1 ATOM 1561 N N . SER A 1 193 ? -12.262 -16.881 16.522 1.00 17.42 ? 192 SER A N 1 ATOM 1562 C CA . SER A 1 193 ? -11.209 -17.121 17.494 1.00 18.22 ? 192 SER A CA 1 ATOM 1563 C C . SER A 1 193 ? -10.583 -18.484 17.229 1.00 17.75 ? 192 SER A C 1 ATOM 1564 O O . SER A 1 193 ? -11.262 -19.507 17.330 1.00 18.62 ? 192 SER A O 1 ATOM 1565 C CB . SER A 1 193 ? -11.861 -17.098 18.871 1.00 20.06 ? 192 SER A CB 1 ATOM 1566 O OG . SER A 1 193 ? -10.935 -17.277 19.882 1.00 22.18 ? 192 SER A OG 1 ATOM 1567 N N . LEU A 1 194 ? -9.324 -18.503 16.813 1.00 16.74 ? 193 LEU A N 1 ATOM 1568 C CA . LEU A 1 194 ? -8.649 -19.745 16.430 1.00 17.18 ? 193 LEU A CA 1 ATOM 1569 C C . LEU A 1 194 ? -7.575 -20.114 17.435 1.00 16.46 ? 193 LEU A C 1 ATOM 1570 O O . LEU A 1 194 ? -6.535 -19.426 17.565 1.00 14.79 ? 193 LEU A O 1 ATOM 1571 C CB . LEU A 1 194 ? -8.030 -19.592 15.034 1.00 17.96 ? 193 LEU A CB 1 ATOM 1572 C CG . LEU A 1 194 ? -8.912 -19.111 13.895 1.00 20.11 ? 193 LEU A CG 1 ATOM 1573 C CD1 . LEU A 1 194 ? -8.103 -18.881 12.633 1.00 21.87 ? 193 LEU A CD1 1 ATOM 1574 C CD2 . LEU A 1 194 ? -10.034 -20.069 13.604 1.00 20.62 ? 193 LEU A CD2 1 ATOM 1575 N N . GLY A 1 195 ? -7.787 -21.204 18.180 1.00 16.88 ? 194 GLY A N 1 ATOM 1576 C CA . GLY A 1 195 ? -6.752 -21.678 19.108 1.00 16.15 ? 194 GLY A CA 1 ATOM 1577 C C . GLY A 1 195 ? -6.446 -20.744 20.270 1.00 15.99 ? 194 GLY A C 1 ATOM 1578 O O . GLY A 1 195 ? -5.287 -20.533 20.615 1.00 15.04 ? 194 GLY A O 1 ATOM 1579 N N . ALA A 1 196 ? -7.491 -20.188 20.873 1.00 15.27 ? 195 ALA A N 1 ATOM 1580 C CA . ALA A 1 196 ? -7.317 -19.195 21.934 1.00 15.54 ? 195 ALA A CA 1 ATOM 1581 C C . ALA A 1 196 ? -6.896 -19.808 23.270 1.00 16.47 ? 195 ALA A C 1 ATOM 1582 O O . ALA A 1 196 ? -7.578 -20.730 23.770 1.00 16.40 ? 195 ALA A O 1 ATOM 1583 C CB . ALA A 1 196 ? -8.634 -18.421 22.132 1.00 15.84 ? 195 ALA A CB 1 ATOM 1584 N N . PRO A 1 197 ? -5.802 -19.295 23.877 1.00 16.33 ? 196 PRO A N 1 ATOM 1585 C CA . PRO A 1 197 ? -5.352 -19.751 25.191 1.00 16.84 ? 196 PRO A CA 1 ATOM 1586 C C . PRO A 1 197 ? -6.023 -18.976 26.322 1.00 16.65 ? 196 PRO A C 1 ATOM 1587 O O . PRO A 1 197 ? -5.349 -18.339 27.130 1.00 17.21 ? 196 PRO A O 1 ATOM 1588 C CB . PRO A 1 197 ? -3.838 -19.477 25.145 1.00 16.46 ? 196 PRO A CB 1 ATOM 1589 C CG . PRO A 1 197 ? -3.763 -18.219 24.373 1.00 16.76 ? 196 PRO A CG 1 ATOM 1590 C CD . PRO A 1 197 ? -4.834 -18.340 23.293 1.00 16.86 ? 196 PRO A CD 1 ATOM 1591 N N A TRP A 1 198 ? -7.352 -19.080 26.377 0.80 17.18 ? 197 TRP A N 1 ATOM 1592 N N B TRP A 1 198 ? -7.351 -19.040 26.382 0.20 16.88 ? 197 TRP A N 1 ATOM 1593 C CA A TRP A 1 198 ? -8.121 -18.415 27.373 0.80 18.36 ? 197 TRP A CA 1 ATOM 1594 C CA B TRP A 1 198 ? -8.165 -18.178 27.263 0.20 16.99 ? 197 TRP A CA 1 ATOM 1595 C C A TRP A 1 198 ? -7.656 -19.091 28.672 0.80 18.21 ? 197 TRP A C 1 ATOM 1596 C C B TRP A 1 198 ? -7.704 -17.935 28.725 0.20 16.70 ? 197 TRP A C 1 ATOM 1597 O O A TRP A 1 198 ? -7.596 -20.313 28.807 0.80 17.81 ? 197 TRP A O 1 ATOM 1598 O O B TRP A 1 198 ? -7.647 -16.798 29.175 0.20 16.19 ? 197 TRP A O 1 ATOM 1599 C CB A TRP A 1 198 ? -9.621 -18.689 27.221 0.80 19.20 ? 197 TRP A CB 1 ATOM 1600 C CB B TRP A 1 198 ? -9.614 -18.662 27.226 0.20 17.63 ? 197 TRP A CB 1 ATOM 1601 C CG A TRP A 1 198 ? -10.246 -18.419 25.895 0.80 19.15 ? 197 TRP A CG 1 ATOM 1602 C CG B TRP A 1 198 ? -10.278 -18.406 25.915 0.20 17.78 ? 197 TRP A CG 1 ATOM 1603 C CD1 A TRP A 1 198 ? -11.015 -19.290 25.177 0.80 19.86 ? 197 TRP A CD1 1 ATOM 1604 C CD1 B TRP A 1 198 ? -11.022 -19.287 25.196 0.20 18.27 ? 197 TRP A CD1 1 ATOM 1605 C CD2 A TRP A 1 198 ? -10.261 -17.182 25.165 0.80 19.79 ? 197 TRP A CD2 1 ATOM 1606 C CD2 B TRP A 1 198 ? -10.275 -17.180 25.168 0.20 17.79 ? 197 TRP A CD2 1 ATOM 1607 N NE1 A TRP A 1 198 ? -11.485 -18.688 24.047 0.80 19.88 ? 197 TRP A NE1 1 ATOM 1608 N NE1 B TRP A 1 198 ? -11.487 -18.695 24.052 0.20 18.31 ? 197 TRP A NE1 1 ATOM 1609 C CE2 A TRP A 1 198 ? -11.030 -17.398 24.004 0.80 19.35 ? 197 TRP A CE2 1 ATOM 1610 C CE2 B TRP A 1 198 ? -11.042 -17.400 24.007 0.20 17.90 ? 197 TRP A CE2 1 ATOM 1611 C CE3 A TRP A 1 198 ? -9.678 -15.926 25.362 0.80 19.37 ? 197 TRP A CE3 1 ATOM 1612 C CE3 B TRP A 1 198 ? -9.697 -15.921 25.366 0.20 17.46 ? 197 TRP A CE3 1 ATOM 1613 C CZ2 A TRP A 1 198 ? -11.248 -16.397 23.043 0.80 20.01 ? 197 TRP A CZ2 1 ATOM 1614 C CZ2 B TRP A 1 198 ? -11.249 -16.409 23.044 0.20 17.99 ? 197 TRP A CZ2 1 ATOM 1615 C CZ3 A TRP A 1 198 ? -9.905 -14.930 24.395 0.80 20.02 ? 197 TRP A CZ3 1 ATOM 1616 C CZ3 B TRP A 1 198 ? -9.908 -14.934 24.407 0.20 17.54 ? 197 TRP A CZ3 1 ATOM 1617 C CH2 A TRP A 1 198 ? -10.677 -15.177 23.269 0.80 18.86 ? 197 TRP A CH2 1 ATOM 1618 C CH2 B TRP A 1 198 ? -10.676 -15.187 23.266 0.20 17.47 ? 197 TRP A CH2 1 ATOM 1619 N N A GLY A 1 199 ? -7.323 -18.281 29.629 0.80 18.83 ? 198 GLY A N 1 ATOM 1620 N N B GLY A 1 199 ? -7.369 -18.993 29.454 0.20 16.82 ? 198 GLY A N 1 ATOM 1621 C CA A GLY A 1 199 ? -6.879 -18.804 30.901 0.80 18.45 ? 198 GLY A CA 1 ATOM 1622 C CA B GLY A 1 199 ? -6.891 -18.886 30.846 0.20 16.99 ? 198 GLY A CA 1 ATOM 1623 C C A GLY A 1 199 ? -5.447 -19.301 30.989 0.80 17.84 ? 198 GLY A C 1 ATOM 1624 C C B GLY A 1 199 ? -5.449 -19.329 30.978 0.20 16.86 ? 198 GLY A C 1 ATOM 1625 O O A GLY A 1 199 ? -5.082 -19.910 31.994 0.80 17.83 ? 198 GLY A O 1 ATOM 1626 O O B GLY A 1 199 ? -5.078 -19.918 31.988 0.20 16.97 ? 198 GLY A O 1 ATOM 1627 N N . GLY A 1 200 ? -4.641 -19.033 29.959 1.00 16.58 ? 199 GLY A N 1 ATOM 1628 C CA . GLY A 1 200 ? -3.212 -19.362 29.954 1.00 16.41 ? 199 GLY A CA 1 ATOM 1629 C C . GLY A 1 200 ? -2.943 -20.799 29.528 1.00 17.20 ? 199 GLY A C 1 ATOM 1630 O O . GLY A 1 200 ? -3.887 -21.589 29.340 1.00 18.06 ? 199 GLY A O 1 ATOM 1631 N N . VAL A 1 201 ? -1.669 -21.159 29.385 1.00 16.85 ? 200 VAL A N 1 ATOM 1632 C CA . VAL A 1 201 ? -1.301 -22.504 28.975 1.00 17.39 ? 200 VAL A CA 1 ATOM 1633 C C . VAL A 1 201 ? -0.208 -23.069 29.893 1.00 17.63 ? 200 VAL A C 1 ATOM 1634 O O . VAL A 1 201 ? 0.670 -22.361 30.341 1.00 16.45 ? 200 VAL A O 1 ATOM 1635 C CB . VAL A 1 201 ? -0.840 -22.602 27.495 1.00 19.66 ? 200 VAL A CB 1 ATOM 1636 C CG1 . VAL A 1 201 ? -1.932 -22.097 26.549 1.00 20.35 ? 200 VAL A CG1 1 ATOM 1637 C CG2 . VAL A 1 201 ? 0.437 -21.849 27.262 1.00 20.17 ? 200 VAL A CG2 1 ATOM 1638 N N . ALA A 1 202 ? -0.258 -24.376 30.142 1.00 17.75 ? 201 ALA A N 1 ATOM 1639 C CA . ALA A 1 202 ? 0.648 -24.988 31.101 1.00 17.99 ? 201 ALA A CA 1 ATOM 1640 C C . ALA A 1 202 ? 2.087 -24.898 30.639 1.00 18.33 ? 201 ALA A C 1 ATOM 1641 O O . ALA A 1 202 ? 2.993 -24.781 31.467 1.00 18.59 ? 201 ALA A O 1 ATOM 1642 C CB . ALA A 1 202 ? 0.262 -26.445 31.313 1.00 18.46 ? 201 ALA A CB 1 ATOM 1643 N N . LYS A 1 203 ? 2.335 -24.939 29.334 1.00 20.00 ? 202 LYS A N 1 ATOM 1644 C CA . LYS A 1 203 ? 3.752 -25.000 28.887 1.00 22.29 ? 202 LYS A CA 1 ATOM 1645 C C . LYS A 1 203 ? 4.597 -23.762 29.199 1.00 19.80 ? 202 LYS A C 1 ATOM 1646 O O . LYS A 1 203 ? 5.828 -23.845 29.190 1.00 18.08 ? 202 LYS A O 1 ATOM 1647 C CB . LYS A 1 203 ? 3.870 -25.398 27.432 1.00 27.41 ? 202 LYS A CB 1 ATOM 1648 C CG . LYS A 1 203 ? 3.557 -24.350 26.423 1.00 31.72 ? 202 LYS A CG 1 ATOM 1649 C CD . LYS A 1 203 ? 3.736 -24.885 25.001 1.00 39.38 ? 202 LYS A CD 1 ATOM 1650 C CE . LYS A 1 203 ? 5.157 -25.376 24.783 1.00 44.87 ? 202 LYS A CE 1 ATOM 1651 N NZ . LYS A 1 203 ? 5.522 -25.369 23.341 1.00 48.65 ? 202 LYS A NZ 1 ATOM 1652 N N . THR A 1 204 ? 3.943 -22.646 29.533 1.00 18.69 ? 203 THR A N 1 ATOM 1653 C CA . THR A 1 204 ? 4.653 -21.436 29.975 1.00 18.81 ? 203 THR A CA 1 ATOM 1654 C C . THR A 1 204 ? 5.557 -21.711 31.205 1.00 17.66 ? 203 THR A C 1 ATOM 1655 O O . THR A 1 204 ? 6.635 -21.128 31.345 1.00 16.57 ? 203 THR A O 1 ATOM 1656 C CB . THR A 1 204 ? 3.682 -20.276 30.309 1.00 19.58 ? 203 THR A CB 1 ATOM 1657 O OG1 . THR A 1 204 ? 2.747 -20.737 31.267 1.00 24.01 ? 203 THR A OG1 1 ATOM 1658 C CG2 . THR A 1 204 ? 2.894 -19.855 29.135 1.00 20.09 ? 203 THR A CG2 1 ATOM 1659 N N . LEU A 1 205 ? 5.143 -22.611 32.092 1.00 17.27 ? 204 LEU A N 1 ATOM 1660 C CA . LEU A 1 205 ? 5.981 -22.916 33.252 1.00 17.80 ? 204 LEU A CA 1 ATOM 1661 C C . LEU A 1 205 ? 7.321 -23.505 32.839 1.00 17.23 ? 204 LEU A C 1 ATOM 1662 O O . LEU A 1 205 ? 8.343 -23.176 33.422 1.00 17.73 ? 204 LEU A O 1 ATOM 1663 C CB . LEU A 1 205 ? 5.292 -23.923 34.196 1.00 19.53 ? 204 LEU A CB 1 ATOM 1664 C CG . LEU A 1 205 ? 4.201 -23.531 35.191 1.00 20.33 ? 204 LEU A CG 1 ATOM 1665 C CD1 . LEU A 1 205 ? 4.649 -22.500 36.199 1.00 20.78 ? 204 LEU A CD1 1 ATOM 1666 C CD2 . LEU A 1 205 ? 2.940 -23.122 34.512 1.00 20.64 ? 204 LEU A CD2 1 ATOM 1667 N N . ARG A 1 206 ? 7.295 -24.430 31.884 1.00 18.31 ? 205 ARG A N 1 ATOM 1668 C CA . ARG A 1 206 ? 8.537 -25.062 31.450 1.00 19.49 ? 205 ARG A CA 1 ATOM 1669 C C . ARG A 1 206 ? 9.417 -24.039 30.745 1.00 18.69 ? 205 ARG A C 1 ATOM 1670 O O . ARG A 1 206 ? 10.625 -24.000 30.955 1.00 17.88 ? 205 ARG A O 1 ATOM 1671 C CB . ARG A 1 206 ? 8.249 -26.218 30.527 1.00 21.47 ? 205 ARG A CB 1 ATOM 1672 C CG . ARG A 1 206 ? 9.480 -26.836 29.975 1.00 24.76 ? 205 ARG A CG 1 ATOM 1673 C CD . ARG A 1 206 ? 9.000 -27.832 28.951 1.00 29.53 ? 205 ARG A CD 1 ATOM 1674 N NE . ARG A 1 206 ? 10.143 -28.229 28.206 1.00 36.00 ? 205 ARG A NE 1 ATOM 1675 C CZ . ARG A 1 206 ? 10.365 -28.005 26.919 1.00 37.55 ? 205 ARG A CZ 1 ATOM 1676 N NH1 . ARG A 1 206 ? 9.440 -27.535 26.083 1.00 38.75 ? 205 ARG A NH1 1 ATOM 1677 N NH2 . ARG A 1 206 ? 11.524 -28.403 26.444 1.00 43.42 ? 205 ARG A NH2 1 ATOM 1678 N N . VAL A 1 207 ? 8.801 -23.218 29.902 1.00 18.73 ? 206 VAL A N 1 ATOM 1679 C CA . VAL A 1 207 ? 9.550 -22.161 29.204 1.00 19.21 ? 206 VAL A CA 1 ATOM 1680 C C . VAL A 1 207 ? 10.340 -21.297 30.206 1.00 19.24 ? 206 VAL A C 1 ATOM 1681 O O . VAL A 1 207 ? 11.569 -21.110 30.066 1.00 18.74 ? 206 VAL A O 1 ATOM 1682 C CB . VAL A 1 207 ? 8.613 -21.297 28.326 1.00 19.52 ? 206 VAL A CB 1 ATOM 1683 C CG1 . VAL A 1 207 ? 9.386 -20.112 27.735 1.00 20.27 ? 206 VAL A CG1 1 ATOM 1684 C CG2 . VAL A 1 207 ? 7.975 -22.124 27.217 1.00 19.82 ? 206 VAL A CG2 1 ATOM 1685 N N . LEU A 1 208 ? 9.648 -20.813 31.240 1.00 18.70 ? 207 LEU A N 1 ATOM 1686 C CA . LEU A 1 208 ? 10.267 -19.917 32.238 1.00 18.75 ? 207 LEU A CA 1 ATOM 1687 C C . LEU A 1 208 ? 11.284 -20.623 33.130 1.00 18.65 ? 207 LEU A C 1 ATOM 1688 O O . LEU A 1 208 ? 12.348 -20.082 33.420 1.00 18.35 ? 207 LEU A O 1 ATOM 1689 C CB . LEU A 1 208 ? 9.213 -19.247 33.094 1.00 18.80 ? 207 LEU A CB 1 ATOM 1690 C CG . LEU A 1 208 ? 8.310 -18.291 32.321 1.00 19.38 ? 207 LEU A CG 1 ATOM 1691 C CD1 . LEU A 1 208 ? 7.073 -17.963 33.130 1.00 20.11 ? 207 LEU A CD1 1 ATOM 1692 C CD2 . LEU A 1 208 ? 9.055 -17.035 31.969 1.00 19.82 ? 207 LEU A CD2 1 ATOM 1693 N N . ALA A 1 209 ? 10.986 -21.862 33.521 1.00 18.71 ? 208 ALA A N 1 ATOM 1694 C CA . ALA A 1 209 ? 11.897 -22.592 34.415 1.00 19.16 ? 208 ALA A CA 1 ATOM 1695 C C . ALA A 1 209 ? 13.186 -22.986 33.706 1.00 19.54 ? 208 ALA A C 1 ATOM 1696 O O . ALA A 1 209 ? 14.289 -22.665 34.162 1.00 20.15 ? 208 ALA A O 1 ATOM 1697 C CB . ALA A 1 209 ? 11.218 -23.832 34.992 1.00 18.81 ? 208 ALA A CB 1 ATOM 1698 N N . SER A 1 210 ? 13.048 -23.685 32.575 1.00 20.43 ? 209 SER A N 1 ATOM 1699 C CA . SER A 1 210 ? 14.193 -24.382 31.981 1.00 21.36 ? 209 SER A CA 1 ATOM 1700 C C . SER A 1 210 ? 14.433 -24.117 30.498 1.00 21.56 ? 209 SER A C 1 ATOM 1701 O O . SER A 1 210 ? 15.367 -24.685 29.918 1.00 23.67 ? 209 SER A O 1 ATOM 1702 C CB . SER A 1 210 ? 14.081 -25.889 32.244 1.00 22.08 ? 209 SER A CB 1 ATOM 1703 O OG . SER A 1 210 ? 12.812 -26.389 31.900 1.00 22.12 ? 209 SER A OG 1 ATOM 1704 N N . GLY A 1 211 ? 13.624 -23.245 29.891 1.00 21.55 ? 210 GLY A N 1 ATOM 1705 C CA . GLY A 1 211 ? 13.784 -22.864 28.498 1.00 22.43 ? 210 GLY A CA 1 ATOM 1706 C C . GLY A 1 211 ? 13.101 -23.851 27.568 1.00 24.24 ? 210 GLY A C 1 ATOM 1707 O O . GLY A 1 211 ? 12.851 -24.999 27.939 1.00 23.61 ? 210 GLY A O 1 ATOM 1708 N N . ASP A 1 212 ? 12.838 -23.428 26.336 1.00 24.43 ? 211 ASP A N 1 ATOM 1709 C CA . ASP A 1 212 ? 12.255 -24.313 25.322 1.00 27.48 ? 211 ASP A CA 1 ATOM 1710 C C . ASP A 1 212 ? 12.975 -24.101 23.980 1.00 27.71 ? 211 ASP A C 1 ATOM 1711 O O . ASP A 1 212 ? 12.765 -23.073 23.332 1.00 27.68 ? 211 ASP A O 1 ATOM 1712 C CB . ASP A 1 212 ? 10.761 -24.026 25.160 1.00 29.08 ? 211 ASP A CB 1 ATOM 1713 C CG . ASP A 1 212 ? 10.064 -24.987 24.187 1.00 32.35 ? 211 ASP A CG 1 ATOM 1714 O OD1 . ASP A 1 212 ? 10.722 -25.903 23.631 1.00 29.64 ? 211 ASP A OD1 1 ATOM 1715 O OD2 . ASP A 1 212 ? 8.827 -24.837 24.026 1.00 36.95 ? 211 ASP A OD2 1 ATOM 1716 N N . ASN A 1 213 ? 13.830 -25.053 23.618 1.00 30.87 ? 212 ASN A N 1 ATOM 1717 C CA . ASN A 1 213 ? 14.581 -25.011 22.348 1.00 33.47 ? 212 ASN A CA 1 ATOM 1718 C C . ASN A 1 213 ? 14.003 -25.995 21.318 1.00 40.32 ? 212 ASN A C 1 ATOM 1719 O O . ASN A 1 213 ? 14.648 -26.287 20.296 1.00 44.54 ? 212 ASN A O 1 ATOM 1720 C CB . ASN A 1 213 ? 16.049 -25.360 22.561 1.00 33.29 ? 212 ASN A CB 1 ATOM 1721 C CG . ASN A 1 213 ? 16.267 -26.834 22.838 1.00 36.78 ? 212 ASN A CG 1 ATOM 1722 O OD1 . ASN A 1 213 ? 15.325 -27.559 23.154 1.00 37.70 ? 212 ASN A OD1 1 ATOM 1723 N ND2 . ASN A 1 213 ? 17.506 -27.286 22.719 1.00 37.71 ? 212 ASN A ND2 1 ATOM 1724 N N . ASN A 1 214 ? 12.784 -26.487 21.553 1.00 42.36 ? 213 ASN A N 1 ATOM 1725 C CA . ASN A 1 214 ? 12.212 -27.549 20.679 1.00 45.44 ? 213 ASN A CA 1 ATOM 1726 C C . ASN A 1 214 ? 12.174 -27.147 19.200 1.00 47.28 ? 213 ASN A C 1 ATOM 1727 O O . ASN A 1 214 ? 12.130 -27.990 18.300 1.00 48.36 ? 213 ASN A O 1 ATOM 1728 C CB . ASN A 1 214 ? 10.793 -27.950 21.110 1.00 46.42 ? 213 ASN A CB 1 ATOM 1729 C CG . ASN A 1 214 ? 10.776 -28.772 22.396 1.00 46.88 ? 213 ASN A CG 1 ATOM 1730 O OD1 . ASN A 1 214 ? 11.816 -29.060 22.996 1.00 49.59 ? 213 ASN A OD1 1 ATOM 1731 N ND2 . ASN A 1 214 ? 9.583 -29.150 22.825 1.00 47.83 ? 213 ASN A ND2 1 ATOM 1732 N N . ARG A 1 215 ? 12.191 -25.846 18.949 1.00 49.28 ? 214 ARG A N 1 ATOM 1733 C CA . ARG A 1 215 ? 12.129 -25.346 17.581 1.00 51.06 ? 214 ARG A CA 1 ATOM 1734 C C . ARG A 1 215 ? 13.466 -24.755 17.139 1.00 54.08 ? 214 ARG A C 1 ATOM 1735 O O . ARG A 1 215 ? 13.528 -23.972 16.196 1.00 53.07 ? 214 ARG A O 1 ATOM 1736 C CB . ARG A 1 215 ? 10.984 -24.348 17.455 1.00 51.92 ? 214 ARG A CB 1 ATOM 1737 C CG . ARG A 1 215 ? 9.647 -25.056 17.573 1.00 54.71 ? 214 ARG A CG 1 ATOM 1738 C CD . ARG A 1 215 ? 8.473 -24.158 17.228 1.00 58.88 ? 214 ARG A CD 1 ATOM 1739 N NE . ARG A 1 215 ? 7.298 -24.544 17.993 1.00 65.16 ? 214 ARG A NE 1 ATOM 1740 C CZ . ARG A 1 215 ? 6.171 -23.837 18.036 1.00 70.73 ? 214 ARG A CZ 1 ATOM 1741 N NH1 . ARG A 1 215 ? 6.051 -22.703 17.346 1.00 70.65 ? 214 ARG A NH1 1 ATOM 1742 N NH2 . ARG A 1 215 ? 5.155 -24.272 18.770 1.00 70.20 ? 214 ARG A NH2 1 ATOM 1743 N N . ILE A 1 216 ? 14.536 -25.142 17.831 1.00 54.29 ? 215 ILE A N 1 ATOM 1744 C CA . ILE A 1 216 ? 15.871 -24.631 17.561 1.00 51.22 ? 215 ILE A CA 1 ATOM 1745 C C . ILE A 1 216 ? 16.837 -25.509 18.370 1.00 48.75 ? 215 ILE A C 1 ATOM 1746 O O . ILE A 1 216 ? 17.567 -25.022 19.248 1.00 46.86 ? 215 ILE A O 1 ATOM 1747 C CB . ILE A 1 216 ? 15.983 -23.118 17.928 1.00 52.34 ? 215 ILE A CB 1 ATOM 1748 C CG1 . ILE A 1 216 ? 17.414 -22.589 17.801 1.00 52.27 ? 215 ILE A CG1 1 ATOM 1749 C CG2 . ILE A 1 216 ? 15.469 -22.843 19.345 1.00 54.59 ? 215 ILE A CG2 1 ATOM 1750 C CD1 . ILE A 1 216 ? 17.470 -21.108 17.519 1.00 53.68 ? 215 ILE A CD1 1 ATOM 1751 N N . PRO A 1 217 ? 16.802 -26.835 18.107 1.00 46.28 ? 216 PRO A N 1 ATOM 1752 C CA . PRO A 1 217 ? 17.521 -27.848 18.878 1.00 44.48 ? 216 PRO A CA 1 ATOM 1753 C C . PRO A 1 217 ? 19.048 -27.755 18.843 1.00 46.81 ? 216 PRO A C 1 ATOM 1754 O O . PRO A 1 217 ? 19.713 -28.334 19.698 1.00 47.10 ? 216 PRO A O 1 ATOM 1755 C CB . PRO A 1 217 ? 17.078 -29.162 18.225 1.00 45.75 ? 216 PRO A CB 1 ATOM 1756 C CG . PRO A 1 217 ? 16.657 -28.792 16.858 1.00 45.55 ? 216 PRO A CG 1 ATOM 1757 C CD . PRO A 1 217 ? 16.012 -27.447 17.024 1.00 45.40 ? 216 PRO A CD 1 ATOM 1758 N N . VAL A 1 218 ? 19.604 -27.053 17.866 1.00 46.39 ? 217 VAL A N 1 ATOM 1759 C CA . VAL A 1 218 ? 21.044 -26.822 17.841 1.00 48.13 ? 217 VAL A CA 1 ATOM 1760 C C . VAL A 1 218 ? 21.462 -25.744 18.863 1.00 48.10 ? 217 VAL A C 1 ATOM 1761 O O . VAL A 1 218 ? 22.650 -25.560 19.102 1.00 50.82 ? 217 VAL A O 1 ATOM 1762 C CB . VAL A 1 218 ? 21.532 -26.447 16.421 1.00 48.15 ? 217 VAL A CB 1 ATOM 1763 C CG1 . VAL A 1 218 ? 21.194 -25.000 16.075 1.00 48.12 ? 217 VAL A CG1 1 ATOM 1764 C CG2 . VAL A 1 218 ? 23.022 -26.715 16.278 1.00 50.77 ? 217 VAL A CG2 1 ATOM 1765 N N . ILE A 1 219 ? 20.494 -25.037 19.457 1.00 43.54 ? 218 ILE A N 1 ATOM 1766 C CA . ILE A 1 219 ? 20.783 -24.111 20.564 1.00 39.31 ? 218 ILE A CA 1 ATOM 1767 C C . ILE A 1 219 ? 20.292 -24.631 21.930 1.00 37.02 ? 218 ILE A C 1 ATOM 1768 O O . ILE A 1 219 ? 19.229 -25.233 22.051 1.00 33.94 ? 218 ILE A O 1 ATOM 1769 C CB . ILE A 1 219 ? 20.187 -22.705 20.332 1.00 38.33 ? 218 ILE A CB 1 ATOM 1770 C CG1 . ILE A 1 219 ? 20.609 -22.113 18.945 1.00 38.18 ? 218 ILE A CG1 1 ATOM 1771 C CG2 . ILE A 1 219 ? 20.556 -21.806 21.522 1.00 37.94 ? 218 ILE A CG2 1 ATOM 1772 C CD1 . ILE A 1 219 ? 22.100 -21.915 18.692 1.00 36.28 ? 218 ILE A CD1 1 ATOM 1773 N N . GLY A 1 220 ? 21.086 -24.345 22.952 1.00 35.98 ? 219 GLY A N 1 ATOM 1774 C CA . GLY A 1 220 ? 20.818 -24.793 24.301 1.00 36.08 ? 219 GLY A CA 1 ATOM 1775 C C . GLY A 1 220 ? 19.519 -24.215 24.857 1.00 33.64 ? 219 GLY A C 1 ATOM 1776 O O . GLY A 1 220 ? 19.205 -23.040 24.633 1.00 32.28 ? 219 GLY A O 1 ATOM 1777 N N . PRO A 1 221 ? 18.741 -25.041 25.574 1.00 32.39 ? 220 PRO A N 1 ATOM 1778 C CA . PRO A 1 221 ? 17.524 -24.491 26.180 1.00 30.41 ? 220 PRO A CA 1 ATOM 1779 C C . PRO A 1 221 ? 17.841 -23.395 27.207 1.00 27.81 ? 220 PRO A C 1 ATOM 1780 O O . PRO A 1 221 ? 17.097 -22.425 27.292 1.00 26.85 ? 220 PRO A O 1 ATOM 1781 C CB . PRO A 1 221 ? 16.869 -25.711 26.833 1.00 30.34 ? 220 PRO A CB 1 ATOM 1782 C CG . PRO A 1 221 ? 18.011 -26.644 27.101 1.00 32.61 ? 220 PRO A CG 1 ATOM 1783 C CD . PRO A 1 221 ? 18.947 -26.460 25.931 1.00 33.09 ? 220 PRO A CD 1 ATOM 1784 N N . LEU A 1 222 ? 18.951 -23.506 27.930 1.00 28.81 ? 221 LEU A N 1 ATOM 1785 C CA . LEU A 1 222 ? 19.303 -22.484 28.934 1.00 30.06 ? 221 LEU A CA 1 ATOM 1786 C C . LEU A 1 222 ? 19.722 -21.147 28.317 1.00 30.12 ? 221 LEU A C 1 ATOM 1787 O O . LEU A 1 222 ? 19.564 -20.085 28.928 1.00 30.70 ? 221 LEU A O 1 ATOM 1788 C CB . LEU A 1 222 ? 20.395 -22.980 29.871 1.00 31.90 ? 221 LEU A CB 1 ATOM 1789 C CG . LEU A 1 222 ? 20.082 -24.241 30.672 1.00 32.34 ? 221 LEU A CG 1 ATOM 1790 C CD1 . LEU A 1 222 ? 21.212 -24.507 31.649 1.00 33.53 ? 221 LEU A CD1 1 ATOM 1791 C CD2 . LEU A 1 222 ? 18.745 -24.129 31.402 1.00 30.97 ? 221 LEU A CD2 1 ATOM 1792 N N . LYS A 1 223 ? 20.249 -21.205 27.101 1.00 31.61 ? 222 LYS A N 1 ATOM 1793 C CA . LYS A 1 223 ? 20.630 -20.003 26.364 1.00 32.25 ? 222 LYS A CA 1 ATOM 1794 C C . LYS A 1 223 ? 19.391 -19.262 25.864 1.00 29.09 ? 222 LYS A C 1 ATOM 1795 O O . LYS A 1 223 ? 19.232 -18.065 26.100 1.00 30.49 ? 222 LYS A O 1 ATOM 1796 C CB . LYS A 1 223 ? 21.542 -20.407 25.201 1.00 33.96 ? 222 LYS A CB 1 ATOM 1797 C CG . LYS A 1 223 ? 22.091 -19.234 24.396 1.00 34.50 ? 222 LYS A CG 1 ATOM 1798 C CD . LYS A 1 223 ? 23.183 -19.664 23.426 1.00 36.59 ? 222 LYS A CD 1 ATOM 1799 C CE . LYS A 1 223 ? 24.609 -19.769 24.007 1.00 38.16 ? 222 LYS A CE 1 ATOM 1800 N NZ . LYS A 1 223 ? 24.835 -18.937 25.220 1.00 39.56 ? 222 LYS A NZ 1 ATOM 1801 N N . ILE A 1 224 ? 18.482 -19.970 25.203 1.00 27.95 ? 223 ILE A N 1 ATOM 1802 C CA . ILE A 1 224 ? 17.267 -19.342 24.695 1.00 26.81 ? 223 ILE A CA 1 ATOM 1803 C C . ILE A 1 224 ? 16.305 -18.888 25.827 1.00 26.55 ? 223 ILE A C 1 ATOM 1804 O O . ILE A 1 224 ? 15.482 -17.982 25.626 1.00 24.61 ? 223 ILE A O 1 ATOM 1805 C CB . ILE A 1 224 ? 16.533 -20.252 23.675 1.00 28.63 ? 223 ILE A CB 1 ATOM 1806 C CG1 . ILE A 1 224 ? 15.482 -19.491 22.876 1.00 28.76 ? 223 ILE A CG1 1 ATOM 1807 C CG2 . ILE A 1 224 ? 15.866 -21.446 24.348 1.00 29.09 ? 223 ILE A CG2 1 ATOM 1808 C CD1 . ILE A 1 224 ? 16.060 -18.389 22.015 1.00 31.46 ? 223 ILE A CD1 1 ATOM 1809 N N . ARG A 1 225 ? 16.413 -19.517 26.994 1.00 24.33 ? 224 ARG A N 1 ATOM 1810 C CA . ARG A 1 225 ? 15.598 -19.158 28.153 1.00 23.67 ? 224 ARG A CA 1 ATOM 1811 C C . ARG A 1 225 ? 15.755 -17.676 28.508 1.00 25.23 ? 224 ARG A C 1 ATOM 1812 O O . ARG A 1 225 ? 14.798 -17.033 28.941 1.00 23.36 ? 224 ARG A O 1 ATOM 1813 C CB . ARG A 1 225 ? 15.980 -20.039 29.346 1.00 22.26 ? 224 ARG A CB 1 ATOM 1814 C CG . ARG A 1 225 ? 15.077 -19.871 30.571 1.00 22.23 ? 224 ARG A CG 1 ATOM 1815 C CD . ARG A 1 225 ? 15.525 -20.731 31.727 1.00 21.42 ? 224 ARG A CD 1 ATOM 1816 N NE . ARG A 1 225 ? 16.847 -20.354 32.217 1.00 23.23 ? 224 ARG A NE 1 ATOM 1817 C CZ . ARG A 1 225 ? 17.521 -21.007 33.160 1.00 22.97 ? 224 ARG A CZ 1 ATOM 1818 N NH1 . ARG A 1 225 ? 16.989 -22.047 33.783 1.00 22.37 ? 224 ARG A NH1 1 ATOM 1819 N NH2 . ARG A 1 225 ? 18.742 -20.615 33.500 1.00 24.21 ? 224 ARG A NH2 1 ATOM 1820 N N . GLU A 1 226 ? 16.956 -17.147 28.291 1.00 27.33 ? 225 GLU A N 1 ATOM 1821 C CA . GLU A 1 226 ? 17.249 -15.724 28.517 1.00 30.38 ? 225 GLU A CA 1 ATOM 1822 C C . GLU A 1 226 ? 16.284 -14.820 27.781 1.00 27.96 ? 225 GLU A C 1 ATOM 1823 O O . GLU A 1 226 ? 15.698 -13.897 28.367 1.00 27.52 ? 225 GLU A O 1 ATOM 1824 C CB . GLU A 1 226 ? 18.676 -15.394 28.039 1.00 35.03 ? 225 GLU A CB 1 ATOM 1825 C CG . GLU A 1 226 ? 19.781 -16.156 28.749 1.00 40.26 ? 225 GLU A CG 1 ATOM 1826 C CD . GLU A 1 226 ? 21.129 -16.156 27.971 1.00 47.92 ? 225 GLU A CD 1 ATOM 1827 O OE1 . GLU A 1 226 ? 21.202 -15.598 26.845 1.00 48.19 ? 225 GLU A OE1 1 ATOM 1828 O OE2 . GLU A 1 226 ? 22.132 -16.720 28.487 1.00 53.86 ? 225 GLU A OE2 1 ATOM 1829 N N . GLN A 1 227 ? 16.054 -15.101 26.503 1.00 27.82 ? 226 GLN A N 1 ATOM 1830 C CA . GLN A 1 227 ? 15.114 -14.307 25.731 1.00 28.09 ? 226 GLN A CA 1 ATOM 1831 C C . GLN A 1 227 ? 13.699 -14.560 26.145 1.00 23.87 ? 226 GLN A C 1 ATOM 1832 O O . GLN A 1 227 ? 12.893 -13.639 26.261 1.00 22.93 ? 226 GLN A O 1 ATOM 1833 C CB . GLN A 1 227 ? 15.227 -14.578 24.213 1.00 29.25 ? 226 GLN A CB 1 ATOM 1834 C CG . GLN A 1 227 ? 14.311 -13.712 23.353 1.00 30.12 ? 226 GLN A CG 1 ATOM 1835 C CD . GLN A 1 227 ? 12.865 -14.176 23.243 1.00 31.20 ? 226 GLN A CD 1 ATOM 1836 O OE1 . GLN A 1 227 ? 11.927 -13.364 23.212 1.00 34.76 ? 226 GLN A OE1 1 ATOM 1837 N NE2 . GLN A 1 227 ? 12.677 -15.471 23.124 1.00 33.34 ? 226 GLN A NE2 1 ATOM 1838 N N . GLN A 1 228 ? 13.372 -15.829 26.334 1.00 22.48 ? 227 GLN A N 1 ATOM 1839 C CA . GLN A 1 228 ? 11.988 -16.205 26.620 1.00 20.86 ? 227 GLN A CA 1 ATOM 1840 C C . GLN A 1 228 ? 11.504 -15.575 27.926 1.00 18.51 ? 227 GLN A C 1 ATOM 1841 O O . GLN A 1 228 ? 10.370 -15.093 28.021 1.00 17.54 ? 227 GLN A O 1 ATOM 1842 C CB . GLN A 1 228 ? 11.866 -17.733 26.629 1.00 21.83 ? 227 GLN A CB 1 ATOM 1843 C CG . GLN A 1 228 ? 12.060 -18.329 25.226 1.00 23.13 ? 227 GLN A CG 1 ATOM 1844 C CD . GLN A 1 228 ? 12.295 -19.827 25.183 1.00 24.76 ? 227 GLN A CD 1 ATOM 1845 O OE1 . GLN A 1 228 ? 12.849 -20.438 26.112 1.00 22.21 ? 227 GLN A OE1 1 ATOM 1846 N NE2 . GLN A 1 228 ? 11.884 -20.436 24.071 1.00 27.70 ? 227 GLN A NE2 1 ATOM 1847 N N . ARG A 1 229 ? 12.365 -15.552 28.936 1.00 18.58 ? 228 ARG A N 1 ATOM 1848 C CA . ARG A 1 229 ? 12.000 -14.926 30.228 1.00 17.24 ? 228 ARG A CA 1 ATOM 1849 C C . ARG A 1 229 ? 11.770 -13.445 30.078 1.00 17.23 ? 228 ARG A C 1 ATOM 1850 O O . ARG A 1 229 ? 10.932 -12.871 30.792 1.00 18.29 ? 228 ARG A O 1 ATOM 1851 C CB . ARG A 1 229 ? 13.094 -15.148 31.263 1.00 18.14 ? 228 ARG A CB 1 ATOM 1852 C CG . ARG A 1 229 ? 13.097 -16.539 31.858 1.00 17.87 ? 228 ARG A CG 1 ATOM 1853 C CD . ARG A 1 229 ? 14.280 -16.734 32.795 1.00 19.34 ? 228 ARG A CD 1 ATOM 1854 N NE . ARG A 1 229 ? 14.201 -18.037 33.481 1.00 18.67 ? 228 ARG A NE 1 ATOM 1855 C CZ . ARG A 1 229 ? 15.041 -18.444 34.428 1.00 19.96 ? 228 ARG A CZ 1 ATOM 1856 N NH1 . ARG A 1 229 ? 16.069 -17.690 34.802 1.00 20.81 ? 228 ARG A NH1 1 ATOM 1857 N NH2 . ARG A 1 229 ? 14.867 -19.621 35.006 1.00 19.53 ? 228 ARG A NH2 1 ATOM 1858 N N . SER A 1 230 ? 12.546 -12.819 29.193 1.00 16.46 ? 229 SER A N 1 ATOM 1859 C CA . SER A 1 230 ? 12.509 -11.359 29.027 1.00 17.45 ? 229 SER A CA 1 ATOM 1860 C C . SER A 1 230 ? 11.199 -10.859 28.401 1.00 17.88 ? 229 SER A C 1 ATOM 1861 O O . SER A 1 230 ? 10.866 -9.688 28.571 1.00 17.93 ? 229 SER A O 1 ATOM 1862 C CB . SER A 1 230 ? 13.727 -10.863 28.211 1.00 17.87 ? 229 SER A CB 1 ATOM 1863 O OG . SER A 1 230 ? 13.565 -11.078 26.831 1.00 18.93 ? 229 SER A OG 1 ATOM 1864 N N . ALA A 1 231 ? 10.513 -11.715 27.651 1.00 17.19 ? 230 ALA A N 1 ATOM 1865 C CA . ALA A 1 231 ? 9.237 -11.353 27.013 1.00 17.88 ? 230 ALA A CA 1 ATOM 1866 C C . ALA A 1 231 ? 8.086 -11.403 28.024 1.00 18.07 ? 230 ALA A C 1 ATOM 1867 O O . ALA A 1 231 ? 7.731 -12.461 28.538 1.00 19.96 ? 230 ALA A O 1 ATOM 1868 C CB . ALA A 1 231 ? 8.958 -12.251 25.828 1.00 18.00 ? 230 ALA A CB 1 ATOM 1869 N N . VAL A 1 232 ? 7.521 -10.257 28.301 1.00 17.75 ? 231 VAL A N 1 ATOM 1870 C CA . VAL A 1 232 ? 6.428 -10.108 29.271 1.00 18.61 ? 231 VAL A CA 1 ATOM 1871 C C . VAL A 1 232 ? 5.248 -11.007 28.903 1.00 18.04 ? 231 VAL A C 1 ATOM 1872 O O . VAL A 1 232 ? 4.586 -11.553 29.794 1.00 17.56 ? 231 VAL A O 1 ATOM 1873 C CB . VAL A 1 232 ? 5.923 -8.650 29.362 1.00 19.50 ? 231 VAL A CB 1 ATOM 1874 C CG1 . VAL A 1 232 ? 4.869 -8.516 30.454 1.00 19.16 ? 231 VAL A CG1 1 ATOM 1875 C CG2 . VAL A 1 232 ? 7.079 -7.694 29.642 1.00 20.68 ? 231 VAL A CG2 1 ATOM 1876 N N . SER A 1 233 ? 5.004 -11.183 27.604 1.00 17.49 ? 232 SER A N 1 ATOM 1877 C CA . SER A 1 233 ? 3.870 -11.994 27.147 1.00 17.37 ? 232 SER A CA 1 ATOM 1878 C C . SER A 1 233 ? 3.954 -13.424 27.659 1.00 17.44 ? 232 SER A C 1 ATOM 1879 O O . SER A 1 233 ? 2.935 -14.076 27.822 1.00 16.97 ? 232 SER A O 1 ATOM 1880 C CB . SER A 1 233 ? 3.758 -11.964 25.605 1.00 17.35 ? 232 SER A CB 1 ATOM 1881 O OG . SER A 1 233 ? 4.987 -12.311 24.990 1.00 16.62 ? 232 SER A OG 1 ATOM 1882 N N . THR A 1 234 ? 5.157 -13.942 27.900 1.00 17.74 ? 233 THR A N 1 ATOM 1883 C CA . THR A 1 234 ? 5.284 -15.304 28.458 1.00 18.85 ? 233 THR A CA 1 ATOM 1884 C C . THR A 1 234 ? 4.676 -15.428 29.857 1.00 17.62 ? 233 THR A C 1 ATOM 1885 O O . THR A 1 234 ? 3.883 -16.332 30.104 1.00 18.73 ? 233 THR A O 1 ATOM 1886 C CB . THR A 1 234 ? 6.765 -15.733 28.507 1.00 20.68 ? 233 THR A CB 1 ATOM 1887 O OG1 . THR A 1 234 ? 7.287 -15.577 27.172 1.00 23.77 ? 233 THR A OG1 1 ATOM 1888 C CG2 . THR A 1 234 ? 6.926 -17.165 28.926 1.00 20.73 ? 233 THR A CG2 1 ATOM 1889 N N . SER A 1 235 ? 5.038 -14.523 30.751 1.00 16.52 ? 234 SER A N 1 ATOM 1890 C CA . SER A 1 235 ? 4.509 -14.510 32.118 1.00 16.30 ? 234 SER A CA 1 ATOM 1891 C C . SER A 1 235 ? 3.014 -14.174 32.146 1.00 15.88 ? 234 SER A C 1 ATOM 1892 O O . SER A 1 235 ? 2.279 -14.687 32.991 1.00 14.76 ? 234 SER A O 1 ATOM 1893 C CB . SER A 1 235 ? 5.286 -13.528 33.011 1.00 17.20 ? 234 SER A CB 1 ATOM 1894 O OG . SER A 1 235 ? 6.629 -13.980 33.226 1.00 17.61 ? 234 SER A OG 1 ATOM 1895 N N . TRP A 1 236 ? 2.563 -13.334 31.216 1.00 14.88 ? 235 TRP A N 1 ATOM 1896 C CA . TRP A 1 236 ? 1.133 -13.016 31.071 1.00 14.96 ? 235 TRP A CA 1 ATOM 1897 C C . TRP A 1 236 ? 0.276 -14.266 30.798 1.00 15.49 ? 235 TRP A C 1 ATOM 1898 O O . TRP A 1 236 ? -0.887 -14.338 31.200 1.00 16.47 ? 235 TRP A O 1 ATOM 1899 C CB . TRP A 1 236 ? 0.972 -12.023 29.924 1.00 15.00 ? 235 TRP A CB 1 ATOM 1900 C CG . TRP A 1 236 ? -0.416 -11.570 29.638 1.00 14.97 ? 235 TRP A CG 1 ATOM 1901 C CD1 . TRP A 1 236 ? -1.376 -11.234 30.544 1.00 15.49 ? 235 TRP A CD1 1 ATOM 1902 C CD2 . TRP A 1 236 ? -1.006 -11.389 28.343 1.00 15.66 ? 235 TRP A CD2 1 ATOM 1903 N NE1 . TRP A 1 236 ? -2.536 -10.868 29.904 1.00 15.81 ? 235 TRP A NE1 1 ATOM 1904 C CE2 . TRP A 1 236 ? -2.338 -10.945 28.549 1.00 16.13 ? 235 TRP A CE2 1 ATOM 1905 C CE3 . TRP A 1 236 ? -0.548 -11.558 27.031 1.00 15.42 ? 235 TRP A CE3 1 ATOM 1906 C CZ2 . TRP A 1 236 ? -3.206 -10.682 27.492 1.00 16.24 ? 235 TRP A CZ2 1 ATOM 1907 C CZ3 . TRP A 1 236 ? -1.424 -11.302 25.978 1.00 15.37 ? 235 TRP A CZ3 1 ATOM 1908 C CH2 . TRP A 1 236 ? -2.730 -10.861 26.219 1.00 16.21 ? 235 TRP A CH2 1 ATOM 1909 N N . LEU A 1 237 ? 0.849 -15.246 30.107 1.00 16.19 ? 236 LEU A N 1 ATOM 1910 C CA . LEU A 1 237 ? 0.102 -16.447 29.756 1.00 16.93 ? 236 LEU A CA 1 ATOM 1911 C C . LEU A 1 237 ? 0.296 -17.650 30.709 1.00 15.98 ? 236 LEU A C 1 ATOM 1912 O O . LEU A 1 237 ? -0.132 -18.764 30.368 1.00 16.11 ? 236 LEU A O 1 ATOM 1913 C CB . LEU A 1 237 ? 0.403 -16.827 28.313 1.00 19.53 ? 236 LEU A CB 1 ATOM 1914 C CG . LEU A 1 237 ? -0.151 -15.801 27.296 1.00 22.89 ? 236 LEU A CG 1 ATOM 1915 C CD1 . LEU A 1 237 ? 0.169 -16.312 25.917 1.00 26.03 ? 236 LEU A CD1 1 ATOM 1916 C CD2 . LEU A 1 237 ? -1.632 -15.573 27.463 1.00 26.13 ? 236 LEU A CD2 1 ATOM 1917 N N . LEU A 1 238 ? 0.869 -17.440 31.895 1.00 14.98 ? 237 LEU A N 1 ATOM 1918 C CA . LEU A 1 238 ? 0.801 -18.473 32.941 1.00 14.79 ? 237 LEU A CA 1 ATOM 1919 C C . LEU A 1 238 ? -0.665 -18.765 33.274 1.00 14.81 ? 237 LEU A C 1 ATOM 1920 O O . LEU A 1 238 ? -1.523 -17.877 33.197 1.00 13.34 ? 237 LEU A O 1 ATOM 1921 C CB . LEU A 1 238 ? 1.539 -18.056 34.226 1.00 15.49 ? 237 LEU A CB 1 ATOM 1922 C CG . LEU A 1 238 ? 3.068 -17.993 34.182 1.00 15.98 ? 237 LEU A CG 1 ATOM 1923 C CD1 . LEU A 1 238 ? 3.598 -17.165 35.346 1.00 17.09 ? 237 LEU A CD1 1 ATOM 1924 C CD2 . LEU A 1 238 ? 3.625 -19.402 34.243 1.00 17.34 ? 237 LEU A CD2 1 ATOM 1925 N N . PRO A 1 239 ? -0.968 -20.025 33.614 1.00 14.76 ? 238 PRO A N 1 ATOM 1926 C CA . PRO A 1 239 ? -2.313 -20.427 33.973 1.00 15.29 ? 238 PRO A CA 1 ATOM 1927 C C . PRO A 1 239 ? -3.031 -19.498 34.938 1.00 16.30 ? 238 PRO A C 1 ATOM 1928 O O . PRO A 1 239 ? -2.441 -19.045 35.942 1.00 15.49 ? 238 PRO A O 1 ATOM 1929 C CB . PRO A 1 239 ? -2.095 -21.804 34.575 1.00 15.40 ? 238 PRO A CB 1 ATOM 1930 C CG . PRO A 1 239 ? -0.940 -22.343 33.799 1.00 15.78 ? 238 PRO A CG 1 ATOM 1931 C CD . PRO A 1 239 ? -0.033 -21.162 33.614 1.00 15.03 ? 238 PRO A CD 1 ATOM 1932 N N . TYR A 1 240 ? -4.316 -19.275 34.660 1.00 17.05 ? 239 TYR A N 1 ATOM 1933 C CA . TYR A 1 240 ? -5.207 -18.496 35.496 1.00 17.44 ? 239 TYR A CA 1 ATOM 1934 C C . TYR A 1 240 ? -6.242 -19.350 36.237 1.00 18.62 ? 239 TYR A C 1 ATOM 1935 O O . TYR A 1 240 ? -6.697 -20.390 35.726 1.00 17.52 ? 239 TYR A O 1 ATOM 1936 C CB . TYR A 1 240 ? -5.970 -17.505 34.635 1.00 17.39 ? 239 TYR A CB 1 ATOM 1937 C CG . TYR A 1 240 ? -5.115 -16.354 34.128 1.00 17.39 ? 239 TYR A CG 1 ATOM 1938 C CD1 . TYR A 1 240 ? -4.300 -16.515 33.014 1.00 17.46 ? 239 TYR A CD1 1 ATOM 1939 C CD2 . TYR A 1 240 ? -5.143 -15.107 34.756 1.00 17.27 ? 239 TYR A CD2 1 ATOM 1940 C CE1 . TYR A 1 240 ? -3.499 -15.470 32.559 1.00 16.98 ? 239 TYR A CE1 1 ATOM 1941 C CE2 . TYR A 1 240 ? -4.368 -14.055 34.302 1.00 18.06 ? 239 TYR A CE2 1 ATOM 1942 C CZ . TYR A 1 240 ? -3.559 -14.235 33.182 1.00 17.60 ? 239 TYR A CZ 1 ATOM 1943 O OH . TYR A 1 240 ? -2.779 -13.186 32.744 1.00 17.98 ? 239 TYR A OH 1 ATOM 1944 N N . ASN A 1 241 ? -6.680 -18.864 37.392 1.00 18.54 ? 240 ASN A N 1 ATOM 1945 C CA . ASN A 1 241 ? -7.682 -19.591 38.197 1.00 20.80 ? 240 ASN A CA 1 ATOM 1946 C C . ASN A 1 241 ? -9.113 -19.582 37.683 1.00 21.70 ? 240 ASN A C 1 ATOM 1947 O O . ASN A 1 241 ? -9.958 -20.262 38.270 1.00 24.19 ? 240 ASN A O 1 ATOM 1948 C CB . ASN A 1 241 ? -7.694 -19.140 39.663 1.00 23.10 ? 240 ASN A CB 1 ATOM 1949 C CG . ASN A 1 241 ? -7.930 -17.662 39.832 1.00 24.64 ? 240 ASN A CG 1 ATOM 1950 O OD1 . ASN A 1 241 ? -8.466 -16.980 38.954 1.00 23.85 ? 240 ASN A OD1 1 ATOM 1951 N ND2 . ASN A 1 241 ? -7.519 -17.147 40.974 1.00 26.67 ? 240 ASN A ND2 1 ATOM 1952 N N . TYR A 1 242 ? -9.412 -18.844 36.628 1.00 20.59 ? 241 TYR A N 1 ATOM 1953 C CA . TYR A 1 242 ? -10.771 -18.936 36.084 1.00 23.00 ? 241 TYR A CA 1 ATOM 1954 C C . TYR A 1 242 ? -10.918 -20.109 35.099 1.00 24.28 ? 241 TYR A C 1 ATOM 1955 O O . TYR A 1 242 ? -12.028 -20.462 34.719 1.00 24.52 ? 241 TYR A O 1 ATOM 1956 C CB . TYR A 1 242 ? -11.215 -17.630 35.470 1.00 24.00 ? 241 TYR A CB 1 ATOM 1957 C CG . TYR A 1 242 ? -10.305 -17.036 34.418 1.00 24.58 ? 241 TYR A CG 1 ATOM 1958 C CD1 . TYR A 1 242 ? -10.308 -17.529 33.124 1.00 25.78 ? 241 TYR A CD1 1 ATOM 1959 C CD2 . TYR A 1 242 ? -9.455 -15.976 34.715 1.00 24.77 ? 241 TYR A CD2 1 ATOM 1960 C CE1 . TYR A 1 242 ? -9.512 -16.978 32.154 1.00 26.75 ? 241 TYR A CE1 1 ATOM 1961 C CE2 . TYR A 1 242 ? -8.639 -15.416 33.739 1.00 26.62 ? 241 TYR A CE2 1 ATOM 1962 C CZ . TYR A 1 242 ? -8.678 -15.934 32.465 1.00 26.62 ? 241 TYR A CZ 1 ATOM 1963 O OH . TYR A 1 242 ? -7.906 -15.413 31.478 1.00 29.76 ? 241 TYR A OH 1 ATOM 1964 N N . THR A 1 243 ? -9.798 -20.741 34.759 1.00 22.81 ? 242 THR A N 1 ATOM 1965 C CA . THR A 1 243 ? -9.762 -21.958 33.953 1.00 25.07 ? 242 THR A CA 1 ATOM 1966 C C . THR A 1 243 ? -9.291 -23.180 34.723 1.00 24.02 ? 242 THR A C 1 ATOM 1967 O O . THR A 1 243 ? -9.850 -24.261 34.594 1.00 25.82 ? 242 THR A O 1 ATOM 1968 C CB . THR A 1 243 ? -8.801 -21.734 32.770 1.00 25.49 ? 242 THR A CB 1 ATOM 1969 O OG1 . THR A 1 243 ? -9.402 -20.782 31.900 1.00 28.10 ? 242 THR A OG1 1 ATOM 1970 C CG2 . THR A 1 243 ? -8.550 -22.984 32.003 1.00 28.44 ? 242 THR A CG2 1 ATOM 1971 N N A TRP A 1 244 ? -8.249 -23.007 35.528 0.50 21.55 ? 243 TRP A N 1 ATOM 1972 N N B TRP A 1 244 ? -8.252 -23.009 35.533 0.50 23.45 ? 243 TRP A N 1 ATOM 1973 C CA A TRP A 1 244 ? -7.587 -24.098 36.191 0.50 20.48 ? 243 TRP A CA 1 ATOM 1974 C CA B TRP A 1 244 ? -7.616 -24.111 36.215 0.50 23.49 ? 243 TRP A CA 1 ATOM 1975 C C A TRP A 1 244 ? -7.894 -24.073 37.692 0.50 21.36 ? 243 TRP A C 1 ATOM 1976 C C B TRP A 1 244 ? -7.908 -24.073 37.700 0.50 23.06 ? 243 TRP A C 1 ATOM 1977 O O A TRP A 1 244 ? -8.045 -23.006 38.287 0.50 20.87 ? 243 TRP A O 1 ATOM 1978 O O B TRP A 1 244 ? -8.046 -23.006 38.289 0.50 22.37 ? 243 TRP A O 1 ATOM 1979 C CB A TRP A 1 244 ? -6.076 -23.939 35.995 0.50 19.04 ? 243 TRP A CB 1 ATOM 1980 C CB B TRP A 1 244 ? -6.112 -24.019 36.026 0.50 24.07 ? 243 TRP A CB 1 ATOM 1981 C CG A TRP A 1 244 ? -5.598 -23.877 34.542 0.50 17.67 ? 243 TRP A CG 1 ATOM 1982 C CG B TRP A 1 244 ? -5.629 -24.791 34.853 0.50 25.43 ? 243 TRP A CG 1 ATOM 1983 C CD1 A TRP A 1 244 ? -5.549 -22.773 33.747 0.50 16.93 ? 243 TRP A CD1 1 ATOM 1984 C CD1 B TRP A 1 244 ? -5.519 -26.157 34.790 0.50 26.12 ? 243 TRP A CD1 1 ATOM 1985 C CD2 A TRP A 1 244 ? -5.066 -24.952 33.763 0.50 16.99 ? 243 TRP A CD2 1 ATOM 1986 C CD2 B TRP A 1 244 ? -5.137 -24.297 33.628 0.50 24.62 ? 243 TRP A CD2 1 ATOM 1987 N NE1 A TRP A 1 244 ? -5.026 -23.092 32.517 0.50 16.22 ? 243 TRP A NE1 1 ATOM 1988 N NE1 B TRP A 1 244 ? -5.004 -26.537 33.588 0.50 26.49 ? 243 TRP A NE1 1 ATOM 1989 C CE2 A TRP A 1 244 ? -4.728 -24.427 32.500 0.50 16.54 ? 243 TRP A CE2 1 ATOM 1990 C CE2 B TRP A 1 244 ? -4.755 -25.411 32.849 0.50 25.64 ? 243 TRP A CE2 1 ATOM 1991 C CE3 A TRP A 1 244 ? -4.848 -26.311 34.007 0.50 17.65 ? 243 TRP A CE3 1 ATOM 1992 C CE3 B TRP A 1 244 ? -4.989 -23.026 33.096 0.50 24.26 ? 243 TRP A CE3 1 ATOM 1993 C CZ2 A TRP A 1 244 ? -4.190 -25.208 31.500 0.50 16.56 ? 243 TRP A CZ2 1 ATOM 1994 C CZ2 B TRP A 1 244 ? -4.234 -25.277 31.572 0.50 25.08 ? 243 TRP A CZ2 1 ATOM 1995 C CZ3 A TRP A 1 244 ? -4.303 -27.092 33.000 0.50 17.56 ? 243 TRP A CZ3 1 ATOM 1996 C CZ3 B TRP A 1 244 ? -4.483 -22.907 31.855 0.50 23.97 ? 243 TRP A CZ3 1 ATOM 1997 C CH2 A TRP A 1 244 ? -3.980 -26.531 31.764 0.50 16.79 ? 243 TRP A CH2 1 ATOM 1998 C CH2 B TRP A 1 244 ? -4.110 -24.018 31.101 0.50 24.93 ? 243 TRP A CH2 1 ATOM 1999 N N . SER A 1 245 ? -7.955 -25.248 38.302 1.00 22.12 ? 244 SER A N 1 ATOM 2000 C CA . SER A 1 245 ? -8.070 -25.362 39.735 1.00 23.34 ? 244 SER A CA 1 ATOM 2001 C C . SER A 1 245 ? -6.837 -24.719 40.403 1.00 22.79 ? 244 SER A C 1 ATOM 2002 O O . SER A 1 245 ? -5.699 -24.999 40.025 1.00 21.88 ? 244 SER A O 1 ATOM 2003 C CB . SER A 1 245 ? -8.141 -26.830 40.140 1.00 24.25 ? 244 SER A CB 1 ATOM 2004 O OG . SER A 1 245 ? -8.041 -26.943 41.532 1.00 25.38 ? 244 SER A OG 1 ATOM 2005 N N . PRO A 1 246 ? -7.058 -23.910 41.438 1.00 24.39 ? 245 PRO A N 1 ATOM 2006 C CA . PRO A 1 246 ? -5.908 -23.376 42.181 1.00 25.25 ? 245 PRO A CA 1 ATOM 2007 C C . PRO A 1 246 ? -5.028 -24.415 42.860 1.00 25.49 ? 245 PRO A C 1 ATOM 2008 O O . PRO A 1 246 ? -3.893 -24.115 43.216 1.00 27.33 ? 245 PRO A O 1 ATOM 2009 C CB . PRO A 1 246 ? -6.558 -22.459 43.233 1.00 26.12 ? 245 PRO A CB 1 ATOM 2010 C CG . PRO A 1 246 ? -7.874 -22.071 42.605 1.00 27.43 ? 245 PRO A CG 1 ATOM 2011 C CD . PRO A 1 246 ? -8.331 -23.353 41.941 1.00 26.80 ? 245 PRO A CD 1 ATOM 2012 N N . GLU A 1 247 ? -5.516 -25.637 43.004 1.00 25.40 ? 246 GLU A N 1 ATOM 2013 C CA . GLU A 1 247 ? -4.720 -26.701 43.594 1.00 27.63 ? 246 GLU A CA 1 ATOM 2014 C C . GLU A 1 247 ? -4.028 -27.632 42.573 1.00 26.42 ? 246 GLU A C 1 ATOM 2015 O O . GLU A 1 247 ? -3.326 -28.559 42.962 1.00 27.00 ? 246 GLU A O 1 ATOM 2016 C CB . GLU A 1 247 ? -5.593 -27.525 44.517 1.00 31.05 ? 246 GLU A CB 1 ATOM 2017 C CG . GLU A 1 247 ? -6.094 -26.735 45.720 1.00 35.12 ? 246 GLU A CG 1 ATOM 2018 C CD . GLU A 1 247 ? -7.159 -25.665 45.431 1.00 38.69 ? 246 GLU A CD 1 ATOM 2019 O OE1 . GLU A 1 247 ? -8.056 -25.900 44.583 1.00 42.91 ? 246 GLU A OE1 1 ATOM 2020 O OE2 . GLU A 1 247 ? -7.142 -24.587 46.073 1.00 43.99 ? 246 GLU A OE2 1 ATOM 2021 N N . LYS A 1 248 ? -4.233 -27.414 41.281 1.00 24.44 ? 247 LYS A N 1 ATOM 2022 C CA . LYS A 1 248 ? -3.550 -28.242 40.288 1.00 24.69 ? 247 LYS A CA 1 ATOM 2023 C C . LYS A 1 248 ? -2.032 -27.966 40.333 1.00 22.17 ? 247 LYS A C 1 ATOM 2024 O O . LYS A 1 248 ? -1.605 -26.818 40.257 1.00 21.19 ? 247 LYS A O 1 ATOM 2025 C CB . LYS A 1 248 ? -4.053 -27.973 38.870 1.00 26.70 ? 247 LYS A CB 1 ATOM 2026 C CG . LYS A 1 248 ? -3.166 -28.722 37.868 1.00 29.44 ? 247 LYS A CG 1 ATOM 2027 C CD . LYS A 1 248 ? -3.680 -28.821 36.473 1.00 32.68 ? 247 LYS A CD 1 ATOM 2028 C CE . LYS A 1 248 ? -2.654 -29.546 35.601 1.00 32.92 ? 247 LYS A CE 1 ATOM 2029 N NZ . LYS A 1 248 ? -2.579 -30.992 35.944 1.00 35.93 ? 247 LYS A NZ 1 ATOM 2030 N N . VAL A 1 249 ? -1.239 -29.011 40.409 1.00 21.21 ? 248 VAL A N 1 ATOM 2031 C CA . VAL A 1 249 ? 0.222 -28.879 40.410 1.00 21.34 ? 248 VAL A CA 1 ATOM 2032 C C . VAL A 1 249 ? 0.730 -28.871 38.980 1.00 20.86 ? 248 VAL A C 1 ATOM 2033 O O . VAL A 1 249 ? 0.498 -29.826 38.243 1.00 22.14 ? 248 VAL A O 1 ATOM 2034 C CB . VAL A 1 249 ? 0.889 -30.035 41.176 1.00 22.65 ? 248 VAL A CB 1 ATOM 2035 C CG1 . VAL A 1 249 ? 2.413 -29.948 41.094 1.00 22.98 ? 248 VAL A CG1 1 ATOM 2036 C CG2 . VAL A 1 249 ? 0.437 -30.014 42.621 1.00 24.32 ? 248 VAL A CG2 1 ATOM 2037 N N . PHE A 1 250 ? 1.393 -27.799 38.578 1.00 19.19 ? 249 PHE A N 1 ATOM 2038 C CA . PHE A 1 250 ? 1.961 -27.686 37.236 1.00 19.62 ? 249 PHE A CA 1 ATOM 2039 C C . PHE A 1 250 ? 3.412 -28.131 37.180 1.00 19.50 ? 249 PHE A C 1 ATOM 2040 O O . PHE A 1 250 ? 3.887 -28.571 36.128 1.00 19.56 ? 249 PHE A O 1 ATOM 2041 C CB . PHE A 1 250 ? 1.862 -26.234 36.740 1.00 18.83 ? 249 PHE A CB 1 ATOM 2042 C CG . PHE A 1 250 ? 0.461 -25.819 36.388 1.00 18.69 ? 249 PHE A CG 1 ATOM 2043 C CD1 . PHE A 1 250 ? -0.126 -26.264 35.222 1.00 18.80 ? 249 PHE A CD1 1 ATOM 2044 C CD2 . PHE A 1 250 ? -0.265 -24.984 37.221 1.00 18.50 ? 249 PHE A CD2 1 ATOM 2045 C CE1 . PHE A 1 250 ? -1.427 -25.903 34.894 1.00 19.34 ? 249 PHE A CE1 1 ATOM 2046 C CE2 . PHE A 1 250 ? -1.553 -24.626 36.903 1.00 18.31 ? 249 PHE A CE2 1 ATOM 2047 C CZ . PHE A 1 250 ? -2.134 -25.070 35.739 1.00 18.64 ? 249 PHE A CZ 1 ATOM 2048 N N . VAL A 1 251 ? 4.125 -27.957 38.289 1.00 18.47 ? 250 VAL A N 1 ATOM 2049 C CA . VAL A 1 251 ? 5.533 -28.267 38.358 1.00 18.37 ? 250 VAL A CA 1 ATOM 2050 C C . VAL A 1 251 ? 5.807 -29.016 39.665 1.00 19.68 ? 250 VAL A C 1 ATOM 2051 O O . VAL A 1 251 ? 5.503 -28.485 40.748 1.00 18.44 ? 250 VAL A O 1 ATOM 2052 C CB . VAL A 1 251 ? 6.424 -26.991 38.292 1.00 18.16 ? 250 VAL A CB 1 ATOM 2053 C CG1 . VAL A 1 251 ? 7.898 -27.338 38.526 1.00 18.68 ? 250 VAL A CG1 1 ATOM 2054 C CG2 . VAL A 1 251 ? 6.303 -26.304 36.944 1.00 18.08 ? 250 VAL A CG2 1 ATOM 2055 N N . GLN A 1 252 ? 6.378 -30.217 39.548 1.00 20.59 ? 251 GLN A N 1 ATOM 2056 C CA . GLN A 1 252 ? 6.858 -30.962 40.699 1.00 22.76 ? 251 GLN A CA 1 ATOM 2057 C C . GLN A 1 252 ? 8.364 -31.090 40.635 1.00 23.03 ? 251 GLN A C 1 ATOM 2058 O O . GLN A 1 252 ? 8.906 -31.363 39.587 1.00 22.82 ? 251 GLN A O 1 ATOM 2059 C CB . GLN A 1 252 ? 6.330 -32.400 40.710 1.00 25.75 ? 251 GLN A CB 1 ATOM 2060 C CG . GLN A 1 252 ? 4.851 -32.593 40.879 1.00 29.78 ? 251 GLN A CG 1 ATOM 2061 C CD . GLN A 1 252 ? 4.518 -34.082 40.985 1.00 33.00 ? 251 GLN A CD 1 ATOM 2062 O OE1 . GLN A 1 252 ? 4.987 -34.798 41.870 1.00 32.54 ? 251 GLN A OE1 1 ATOM 2063 N NE2 . GLN A 1 252 ? 3.754 -34.554 40.034 1.00 36.33 ? 251 GLN A NE2 1 ATOM 2064 N N . THR A 1 253 ? 9.010 -30.982 41.786 1.00 24.87 ? 252 THR A N 1 ATOM 2065 C CA . THR A 1 253 ? 10.442 -31.204 41.917 1.00 27.72 ? 252 THR A CA 1 ATOM 2066 C C . THR A 1 253 ? 10.625 -32.128 43.126 1.00 30.86 ? 252 THR A C 1 ATOM 2067 O O . THR A 1 253 ? 9.652 -32.439 43.816 1.00 32.83 ? 252 THR A O 1 ATOM 2068 C CB . THR A 1 253 ? 11.212 -29.895 42.168 1.00 28.40 ? 252 THR A CB 1 ATOM 2069 O OG1 . THR A 1 253 ? 11.182 -29.568 43.572 1.00 30.54 ? 252 THR A OG1 1 ATOM 2070 C CG2 . THR A 1 253 ? 10.638 -28.763 41.367 1.00 27.59 ? 252 THR A CG2 1 ATOM 2071 N N . PRO A 1 254 ? 11.865 -32.572 43.393 1.00 36.44 ? 253 PRO A N 1 ATOM 2072 C CA . PRO A 1 254 ? 12.050 -33.472 44.561 1.00 39.98 ? 253 PRO A CA 1 ATOM 2073 C C . PRO A 1 254 ? 11.705 -32.842 45.905 1.00 40.18 ? 253 PRO A C 1 ATOM 2074 O O . PRO A 1 254 ? 11.364 -33.570 46.843 1.00 44.24 ? 253 PRO A O 1 ATOM 2075 C CB . PRO A 1 254 ? 13.546 -33.823 44.513 1.00 40.20 ? 253 PRO A CB 1 ATOM 2076 C CG . PRO A 1 254 ? 13.966 -33.527 43.112 1.00 40.29 ? 253 PRO A CG 1 ATOM 2077 C CD . PRO A 1 254 ? 13.133 -32.346 42.692 1.00 36.95 ? 253 PRO A CD 1 ATOM 2078 N N . THR A 1 255 ? 11.740 -31.511 45.999 1.00 38.39 ? 254 THR A N 1 ATOM 2079 C CA . THR A 1 255 ? 11.512 -30.840 47.287 1.00 38.70 ? 254 THR A CA 1 ATOM 2080 C C . THR A 1 255 ? 10.327 -29.877 47.366 1.00 36.40 ? 254 THR A C 1 ATOM 2081 O O . THR A 1 255 ? 10.024 -29.371 48.436 1.00 40.07 ? 254 THR A O 1 ATOM 2082 C CB . THR A 1 255 ? 12.739 -30.016 47.676 1.00 39.85 ? 254 THR A CB 1 ATOM 2083 O OG1 . THR A 1 255 ? 13.044 -29.111 46.617 1.00 43.27 ? 254 THR A OG1 1 ATOM 2084 C CG2 . THR A 1 255 ? 13.933 -30.939 47.937 1.00 41.98 ? 254 THR A CG2 1 ATOM 2085 N N . ILE A 1 256 ? 9.663 -29.589 46.264 1.00 30.61 ? 255 ILE A N 1 ATOM 2086 C CA . ILE A 1 256 ? 8.598 -28.598 46.284 1.00 28.37 ? 255 ILE A CA 1 ATOM 2087 C C . ILE A 1 256 ? 7.698 -28.761 45.052 1.00 25.26 ? 255 ILE A C 1 ATOM 2088 O O . ILE A 1 256 ? 8.147 -29.220 43.987 1.00 27.24 ? 255 ILE A O 1 ATOM 2089 C CB . ILE A 1 256 ? 9.214 -27.172 46.350 1.00 30.37 ? 255 ILE A CB 1 ATOM 2090 C CG1 . ILE A 1 256 ? 8.158 -26.106 46.586 1.00 30.48 ? 255 ILE A CG1 1 ATOM 2091 C CG2 . ILE A 1 256 ? 10.003 -26.855 45.084 1.00 33.25 ? 255 ILE A CG2 1 ATOM 2092 C CD1 . ILE A 1 256 ? 8.764 -24.742 46.855 1.00 30.05 ? 255 ILE A CD1 1 ATOM 2093 N N A ASN A 1 257 ? 6.412 -28.430 45.233 0.50 23.31 ? 256 ASN A N 1 ATOM 2094 N N B ASN A 1 257 ? 6.439 -28.414 45.185 0.50 22.66 ? 256 ASN A N 1 ATOM 2095 C CA A ASN A 1 257 ? 5.388 -28.375 44.189 0.50 22.65 ? 256 ASN A CA 1 ATOM 2096 C CA B ASN A 1 257 ? 5.670 -28.277 43.968 0.50 21.46 ? 256 ASN A CA 1 ATOM 2097 C C A ASN A 1 257 ? 4.995 -26.920 43.887 0.50 20.82 ? 256 ASN A C 1 ATOM 2098 C C B ASN A 1 257 ? 5.031 -26.906 43.858 0.50 20.24 ? 256 ASN A C 1 ATOM 2099 O O A ASN A 1 257 ? 5.029 -26.080 44.789 0.50 21.02 ? 256 ASN A O 1 ATOM 2100 O O B ASN A 1 257 ? 5.014 -26.099 44.800 0.50 20.41 ? 256 ASN A O 1 ATOM 2101 C CB A ASN A 1 257 ? 4.123 -29.099 44.679 0.50 22.42 ? 256 ASN A CB 1 ATOM 2102 C CB B ASN A 1 257 ? 4.701 -29.440 43.699 0.50 21.07 ? 256 ASN A CB 1 ATOM 2103 C CG A ASN A 1 257 ? 4.281 -30.604 44.651 0.50 23.00 ? 256 ASN A CG 1 ATOM 2104 C CG B ASN A 1 257 ? 3.585 -29.529 44.694 0.50 20.94 ? 256 ASN A CG 1 ATOM 2105 O OD1 A ASN A 1 257 ? 5.029 -31.128 43.854 0.50 23.32 ? 256 ASN A OD1 1 ATOM 2106 O OD1 B ASN A 1 257 ? 2.888 -28.556 44.948 0.50 19.40 ? 256 ASN A OD1 1 ATOM 2107 N ND2 A ASN A 1 257 ? 3.588 -31.299 45.508 0.50 23.71 ? 256 ASN A ND2 1 ATOM 2108 N ND2 B ASN A 1 257 ? 3.396 -30.723 45.256 0.50 21.36 ? 256 ASN A ND2 1 ATOM 2109 N N . TYR A 1 258 ? 4.584 -26.631 42.650 1.00 19.20 ? 257 TYR A N 1 ATOM 2110 C CA . TYR A 1 258 ? 4.063 -25.300 42.306 1.00 18.14 ? 257 TYR A CA 1 ATOM 2111 C C . TYR A 1 258 ? 2.726 -25.405 41.584 1.00 18.08 ? 257 TYR A C 1 ATOM 2112 O O . TYR A 1 258 ? 2.617 -26.069 40.538 1.00 18.40 ? 257 TYR A O 1 ATOM 2113 C CB . TYR A 1 258 ? 5.035 -24.532 41.425 1.00 17.46 ? 257 TYR A CB 1 ATOM 2114 C CG . TYR A 1 258 ? 6.420 -24.373 42.000 1.00 17.66 ? 257 TYR A CG 1 ATOM 2115 C CD1 . TYR A 1 258 ? 6.735 -23.338 42.886 1.00 17.77 ? 257 TYR A CD1 1 ATOM 2116 C CD2 . TYR A 1 258 ? 7.420 -25.246 41.651 1.00 18.83 ? 257 TYR A CD2 1 ATOM 2117 C CE1 . TYR A 1 258 ? 8.013 -23.181 43.394 1.00 18.31 ? 257 TYR A CE1 1 ATOM 2118 C CE2 . TYR A 1 258 ? 8.692 -25.113 42.169 1.00 19.49 ? 257 TYR A CE2 1 ATOM 2119 C CZ . TYR A 1 258 ? 8.994 -24.072 43.026 1.00 19.64 ? 257 TYR A CZ 1 ATOM 2120 O OH . TYR A 1 258 ? 10.278 -23.948 43.509 1.00 21.14 ? 257 TYR A OH 1 ATOM 2121 N N . THR A 1 259 ? 1.740 -24.722 42.158 1.00 17.23 ? 258 THR A N 1 ATOM 2122 C CA . THR A 1 259 ? 0.425 -24.491 41.599 1.00 16.85 ? 258 THR A CA 1 ATOM 2123 C C . THR A 1 259 ? 0.338 -23.040 41.119 1.00 16.63 ? 258 THR A C 1 ATOM 2124 O O . THR A 1 259 ? 1.280 -22.247 41.314 1.00 15.36 ? 258 THR A O 1 ATOM 2125 C CB . THR A 1 259 ? -0.685 -24.707 42.652 1.00 17.06 ? 258 THR A CB 1 ATOM 2126 O OG1 . THR A 1 259 ? -0.695 -23.627 43.611 1.00 16.82 ? 258 THR A OG1 1 ATOM 2127 C CG2 . THR A 1 259 ? -0.525 -26.029 43.413 1.00 17.98 ? 258 THR A CG2 1 ATOM 2128 N N . LEU A 1 260 ? -0.817 -22.645 40.567 1.00 16.03 ? 259 LEU A N 1 ATOM 2129 C CA . LEU A 1 260 ? -0.979 -21.268 40.139 1.00 16.40 ? 259 LEU A CA 1 ATOM 2130 C C . LEU A 1 260 ? -1.066 -20.268 41.303 1.00 16.20 ? 259 LEU A C 1 ATOM 2131 O O . LEU A 1 260 ? -1.036 -19.040 41.095 1.00 17.87 ? 259 LEU A O 1 ATOM 2132 C CB . LEU A 1 260 ? -2.200 -21.088 39.219 1.00 16.75 ? 259 LEU A CB 1 ATOM 2133 C CG . LEU A 1 260 ? -3.585 -21.366 39.788 1.00 17.85 ? 259 LEU A CG 1 ATOM 2134 C CD1 . LEU A 1 260 ? -4.141 -20.185 40.563 1.00 18.26 ? 259 LEU A CD1 1 ATOM 2135 C CD2 . LEU A 1 260 ? -4.523 -21.699 38.631 1.00 18.95 ? 259 LEU A CD2 1 ATOM 2136 N N . ARG A 1 261 ? -1.189 -20.762 42.516 1.00 15.65 ? 260 ARG A N 1 ATOM 2137 C CA . ARG A 1 261 ? -1.118 -19.908 43.710 1.00 16.16 ? 260 ARG A CA 1 ATOM 2138 C C . ARG A 1 261 ? 0.308 -19.696 44.215 1.00 16.44 ? 260 ARG A C 1 ATOM 2139 O O . ARG A 1 261 ? 0.510 -19.028 45.254 1.00 16.58 ? 260 ARG A O 1 ATOM 2140 C CB . ARG A 1 261 ? -1.973 -20.496 44.837 1.00 16.35 ? 260 ARG A CB 1 ATOM 2141 C CG . ARG A 1 261 ? -3.458 -20.570 44.487 1.00 16.75 ? 260 ARG A CG 1 ATOM 2142 C CD . ARG A 1 261 ? -4.358 -20.672 45.694 1.00 17.53 ? 260 ARG A CD 1 ATOM 2143 N NE . ARG A 1 261 ? -4.192 -21.944 46.388 1.00 17.98 ? 260 ARG A NE 1 ATOM 2144 C CZ . ARG A 1 261 ? -4.803 -22.256 47.524 1.00 18.78 ? 260 ARG A CZ 1 ATOM 2145 N NH1 . ARG A 1 261 ? -5.652 -21.409 48.093 1.00 19.90 ? 260 ARG A NH1 1 ATOM 2146 N NH2 . ARG A 1 261 ? -4.556 -23.421 48.118 1.00 19.53 ? 260 ARG A NH2 1 ATOM 2147 N N . ASP A 1 262 ? 1.271 -20.261 43.509 1.00 15.48 ? 261 ASP A N 1 ATOM 2148 C CA . ASP A 1 262 ? 2.662 -20.286 43.958 1.00 15.94 ? 261 ASP A CA 1 ATOM 2149 C C . ASP A 1 262 ? 3.630 -19.558 43.058 1.00 15.33 ? 261 ASP A C 1 ATOM 2150 O O . ASP A 1 262 ? 4.858 -19.817 43.119 1.00 15.29 ? 261 ASP A O 1 ATOM 2151 C CB . ASP A 1 262 ? 3.131 -21.740 44.123 1.00 16.68 ? 261 ASP A CB 1 ATOM 2152 C CG . ASP A 1 262 ? 2.312 -22.514 45.137 1.00 17.01 ? 261 ASP A CG 1 ATOM 2153 O OD1 . ASP A 1 262 ? 2.064 -22.003 46.253 1.00 17.36 ? 261 ASP A OD1 1 ATOM 2154 O OD2 . ASP A 1 262 ? 1.924 -23.665 44.806 1.00 18.69 ? 261 ASP A OD2 1 ATOM 2155 N N . TYR A 1 263 ? 3.132 -18.630 42.233 1.00 15.42 ? 262 TYR A N 1 ATOM 2156 C CA . TYR A 1 263 ? 4.014 -17.966 41.282 1.00 15.63 ? 262 TYR A CA 1 ATOM 2157 C C . TYR A 1 263 ? 5.128 -17.135 41.934 1.00 16.53 ? 262 TYR A C 1 ATOM 2158 O O . TYR A 1 263 ? 6.237 -17.084 41.392 1.00 16.36 ? 262 TYR A O 1 ATOM 2159 C CB . TYR A 1 263 ? 3.250 -17.131 40.241 1.00 15.68 ? 262 TYR A CB 1 ATOM 2160 C CG . TYR A 1 263 ? 2.371 -17.932 39.272 1.00 14.99 ? 262 TYR A CG 1 ATOM 2161 C CD1 . TYR A 1 263 ? 2.736 -19.210 38.823 1.00 16.17 ? 262 TYR A CD1 1 ATOM 2162 C CD2 . TYR A 1 263 ? 1.169 -17.430 38.843 1.00 15.41 ? 262 TYR A CD2 1 ATOM 2163 C CE1 . TYR A 1 263 ? 1.911 -19.958 37.964 1.00 16.30 ? 262 TYR A CE1 1 ATOM 2164 C CE2 . TYR A 1 263 ? 0.348 -18.156 37.984 1.00 15.12 ? 262 TYR A CE2 1 ATOM 2165 C CZ . TYR A 1 263 ? 0.722 -19.412 37.535 1.00 15.52 ? 262 TYR A CZ 1 ATOM 2166 O OH . TYR A 1 263 ? -0.106 -20.132 36.693 1.00 15.45 ? 262 TYR A OH 1 ATOM 2167 N N . ARG A 1 264 ? 4.842 -16.461 43.043 1.00 16.36 ? 263 ARG A N 1 ATOM 2168 C CA . ARG A 1 264 ? 5.889 -15.676 43.681 1.00 17.93 ? 263 ARG A CA 1 ATOM 2169 C C . ARG A 1 264 ? 7.065 -16.582 44.094 1.00 17.84 ? 263 ARG A C 1 ATOM 2170 O O . ARG A 1 264 ? 8.211 -16.255 43.792 1.00 17.45 ? 263 ARG A O 1 ATOM 2171 C CB . ARG A 1 264 ? 5.354 -14.871 44.857 1.00 19.06 ? 263 ARG A CB 1 ATOM 2172 C CG . ARG A 1 264 ? 6.316 -13.780 45.343 1.00 21.24 ? 263 ARG A CG 1 ATOM 2173 C CD . ARG A 1 264 ? 5.693 -13.022 46.514 1.00 23.35 ? 263 ARG A CD 1 ATOM 2174 N NE . ARG A 1 264 ? 6.359 -11.774 46.905 1.00 26.77 ? 263 ARG A NE 1 ATOM 2175 C CZ . ARG A 1 264 ? 7.375 -11.670 47.766 1.00 29.66 ? 263 ARG A CZ 1 ATOM 2176 N NH1 . ARG A 1 264 ? 7.926 -12.748 48.320 1.00 30.65 ? 263 ARG A NH1 1 ATOM 2177 N NH2 . ARG A 1 264 ? 7.867 -10.462 48.054 1.00 28.82 ? 263 ARG A NH2 1 ATOM 2178 N N . LYS A 1 265 ? 6.773 -17.725 44.715 1.00 17.30 ? 264 LYS A N 1 ATOM 2179 C CA . LYS A 1 265 ? 7.799 -18.718 45.089 1.00 18.97 ? 264 LYS A CA 1 ATOM 2180 C C . LYS A 1 265 ? 8.528 -19.243 43.865 1.00 18.13 ? 264 LYS A C 1 ATOM 2181 O O . LYS A 1 265 ? 9.733 -19.439 43.901 1.00 18.31 ? 264 LYS A O 1 ATOM 2182 C CB . LYS A 1 265 ? 7.202 -19.972 45.776 1.00 19.80 ? 264 LYS A CB 1 ATOM 2183 C CG . LYS A 1 265 ? 6.493 -19.753 47.065 1.00 21.79 ? 264 LYS A CG 1 ATOM 2184 C CD . LYS A 1 265 ? 6.336 -21.050 47.864 1.00 21.00 ? 264 LYS A CD 1 ATOM 2185 C CE . LYS A 1 265 ? 5.446 -22.085 47.212 1.00 20.93 ? 264 LYS A CE 1 ATOM 2186 N NZ . LYS A 1 265 ? 5.063 -23.085 48.247 1.00 20.19 ? 264 LYS A NZ 1 ATOM 2187 N N . PHE A 1 266 ? 7.773 -19.569 42.821 1.00 17.83 ? 265 PHE A N 1 ATOM 2188 C CA . PHE A 1 266 ? 8.320 -20.099 41.567 1.00 17.94 ? 265 PHE A CA 1 ATOM 2189 C C . PHE A 1 266 ? 9.359 -19.146 40.989 1.00 18.37 ? 265 PHE A C 1 ATOM 2190 O O . PHE A 1 266 ? 10.480 -19.554 40.673 1.00 18.49 ? 265 PHE A O 1 ATOM 2191 C CB . PHE A 1 266 ? 7.182 -20.333 40.581 1.00 18.52 ? 265 PHE A CB 1 ATOM 2192 C CG . PHE A 1 266 ? 7.626 -20.789 39.213 1.00 18.37 ? 265 PHE A CG 1 ATOM 2193 C CD1 . PHE A 1 266 ? 8.008 -22.103 38.994 1.00 18.99 ? 265 PHE A CD1 1 ATOM 2194 C CD2 . PHE A 1 266 ? 7.613 -19.908 38.140 1.00 18.89 ? 265 PHE A CD2 1 ATOM 2195 C CE1 . PHE A 1 266 ? 8.374 -22.532 37.719 1.00 19.76 ? 265 PHE A CE1 1 ATOM 2196 C CE2 . PHE A 1 266 ? 7.989 -20.326 36.869 1.00 18.88 ? 265 PHE A CE2 1 ATOM 2197 C CZ . PHE A 1 266 ? 8.377 -21.644 36.667 1.00 18.96 ? 265 PHE A CZ 1 ATOM 2198 N N . PHE A 1 267 ? 9.004 -17.874 40.903 1.00 17.40 ? 266 PHE A N 1 ATOM 2199 C CA . PHE A 1 267 ? 9.932 -16.887 40.337 1.00 18.40 ? 266 PHE A CA 1 ATOM 2200 C C . PHE A 1 267 ? 11.148 -16.666 41.215 1.00 20.30 ? 266 PHE A C 1 ATOM 2201 O O . PHE A 1 267 ? 12.279 -16.553 40.680 1.00 21.16 ? 266 PHE A O 1 ATOM 2202 C CB . PHE A 1 267 ? 9.193 -15.590 40.024 1.00 18.14 ? 266 PHE A CB 1 ATOM 2203 C CG . PHE A 1 267 ? 8.359 -15.666 38.758 1.00 18.62 ? 266 PHE A CG 1 ATOM 2204 C CD1 . PHE A 1 267 ? 8.970 -15.851 37.517 1.00 19.20 ? 266 PHE A CD1 1 ATOM 2205 C CD2 . PHE A 1 267 ? 6.992 -15.513 38.795 1.00 18.02 ? 266 PHE A CD2 1 ATOM 2206 C CE1 . PHE A 1 267 ? 8.211 -15.904 36.354 1.00 19.92 ? 266 PHE A CE1 1 ATOM 2207 C CE2 . PHE A 1 267 ? 6.230 -15.533 37.637 1.00 18.37 ? 266 PHE A CE2 1 ATOM 2208 C CZ . PHE A 1 267 ? 6.832 -15.725 36.415 1.00 19.23 ? 266 PHE A CZ 1 ATOM 2209 N N . GLN A 1 268 ? 10.959 -16.684 42.539 1.00 20.62 ? 267 GLN A N 1 ATOM 2210 C CA . GLN A 1 268 ? 12.099 -16.663 43.460 1.00 22.07 ? 267 GLN A CA 1 ATOM 2211 C C . GLN A 1 268 ? 13.004 -17.873 43.266 1.00 21.88 ? 267 GLN A C 1 ATOM 2212 O O . GLN A 1 268 ? 14.227 -17.732 43.139 1.00 22.02 ? 267 GLN A O 1 ATOM 2213 C CB . GLN A 1 268 ? 11.663 -16.652 44.931 1.00 22.81 ? 267 GLN A CB 1 ATOM 2214 C CG . GLN A 1 268 ? 10.977 -15.379 45.380 1.00 24.85 ? 267 GLN A CG 1 ATOM 2215 C CD . GLN A 1 268 ? 10.521 -15.467 46.837 1.00 27.94 ? 267 GLN A CD 1 ATOM 2216 O OE1 . GLN A 1 268 ? 9.919 -16.461 47.272 1.00 27.41 ? 267 GLN A OE1 1 ATOM 2217 N NE2 . GLN A 1 268 ? 10.856 -14.452 47.608 1.00 30.29 ? 267 GLN A NE2 1 ATOM 2218 N N . ASP A 1 269 ? 12.398 -19.054 43.158 1.00 20.84 ? 268 ASP A N 1 ATOM 2219 C CA . ASP A 1 269 ? 13.162 -20.297 43.130 1.00 21.93 ? 268 ASP A CA 1 ATOM 2220 C C . ASP A 1 269 ? 13.879 -20.589 41.786 1.00 23.72 ? 268 ASP A C 1 ATOM 2221 O O . ASP A 1 269 ? 14.857 -21.340 41.754 1.00 24.24 ? 268 ASP A O 1 ATOM 2222 C CB . ASP A 1 269 ? 12.285 -21.478 43.502 1.00 21.20 ? 268 ASP A CB 1 ATOM 2223 C CG . ASP A 1 269 ? 11.794 -21.421 44.954 1.00 21.67 ? 268 ASP A CG 1 ATOM 2224 O OD1 . ASP A 1 269 ? 12.288 -20.592 45.736 1.00 20.16 ? 268 ASP A OD1 1 ATOM 2225 O OD2 . ASP A 1 269 ? 10.902 -22.218 45.317 1.00 20.14 ? 268 ASP A OD2 1 ATOM 2226 N N . ILE A 1 270 ? 13.392 -20.039 40.680 1.00 24.86 ? 269 ILE A N 1 ATOM 2227 C CA . ILE A 1 270 ? 14.101 -20.175 39.381 1.00 26.72 ? 269 ILE A CA 1 ATOM 2228 C C . ILE A 1 270 ? 15.133 -19.068 39.162 1.00 28.81 ? 269 ILE A C 1 ATOM 2229 O O . ILE A 1 270 ? 15.824 -19.077 38.139 1.00 31.18 ? 269 ILE A O 1 ATOM 2230 C CB . ILE A 1 270 ? 13.150 -20.241 38.167 1.00 25.08 ? 269 ILE A CB 1 ATOM 2231 C CG1 . ILE A 1 270 ? 12.440 -18.905 37.917 1.00 23.58 ? 269 ILE A CG1 1 ATOM 2232 C CG2 . ILE A 1 270 ? 12.158 -21.391 38.305 1.00 26.34 ? 269 ILE A CG2 1 ATOM 2233 C CD1 . ILE A 1 270 ? 11.482 -18.920 36.744 1.00 23.20 ? 269 ILE A CD1 1 ATOM 2234 N N . GLY A 1 271 ? 15.184 -18.105 40.079 1.00 28.54 ? 270 GLY A N 1 ATOM 2235 C CA . GLY A 1 271 ? 16.118 -16.999 40.000 1.00 30.32 ? 270 GLY A CA 1 ATOM 2236 C C . GLY A 1 271 ? 15.698 -15.908 39.029 1.00 29.69 ? 270 GLY A C 1 ATOM 2237 O O . GLY A 1 271 ? 16.541 -15.335 38.349 1.00 29.29 ? 270 GLY A O 1 ATOM 2238 N N . PHE A 1 272 ? 14.395 -15.620 38.945 1.00 25.71 ? 271 PHE A N 1 ATOM 2239 C CA . PHE A 1 272 ? 13.900 -14.629 38.012 1.00 23.95 ? 271 PHE A CA 1 ATOM 2240 C C . PHE A 1 272 ? 12.788 -13.794 38.642 1.00 24.05 ? 271 PHE A C 1 ATOM 2241 O O . PHE A 1 272 ? 11.612 -13.915 38.278 1.00 21.00 ? 271 PHE A O 1 ATOM 2242 C CB . PHE A 1 272 ? 13.417 -15.295 36.700 1.00 24.12 ? 271 PHE A CB 1 ATOM 2243 C CG . PHE A 1 272 ? 12.986 -14.312 35.641 1.00 23.83 ? 271 PHE A CG 1 ATOM 2244 C CD1 . PHE A 1 272 ? 13.850 -13.289 35.250 1.00 24.83 ? 271 PHE A CD1 1 ATOM 2245 C CD2 . PHE A 1 272 ? 11.743 -14.402 35.032 1.00 22.46 ? 271 PHE A CD2 1 ATOM 2246 C CE1 . PHE A 1 272 ? 13.467 -12.375 34.267 1.00 24.49 ? 271 PHE A CE1 1 ATOM 2247 C CE2 . PHE A 1 272 ? 11.353 -13.471 34.068 1.00 23.25 ? 271 PHE A CE2 1 ATOM 2248 C CZ . PHE A 1 272 ? 12.213 -12.455 33.699 1.00 22.92 ? 271 PHE A CZ 1 ATOM 2249 N N . GLU A 1 273 ? 13.178 -12.956 39.591 1.00 25.39 ? 272 GLU A N 1 ATOM 2250 C CA . GLU A 1 273 ? 12.216 -12.180 40.351 1.00 27.01 ? 272 GLU A CA 1 ATOM 2251 C C . GLU A 1 273 ? 11.452 -11.172 39.491 1.00 24.32 ? 272 GLU A C 1 ATOM 2252 O O . GLU A 1 273 ? 10.291 -10.917 39.771 1.00 22.91 ? 272 GLU A O 1 ATOM 2253 C CB . GLU A 1 273 ? 12.893 -11.544 41.574 1.00 32.92 ? 272 GLU A CB 1 ATOM 2254 C CG . GLU A 1 273 ? 13.241 -12.622 42.623 1.00 40.37 ? 272 GLU A CG 1 ATOM 2255 C CD . GLU A 1 273 ? 13.997 -12.104 43.847 1.00 49.71 ? 272 GLU A CD 1 ATOM 2256 O OE1 . GLU A 1 273 ? 14.298 -10.884 43.931 1.00 54.12 ? 272 GLU A OE1 1 ATOM 2257 O OE2 . GLU A 1 273 ? 14.306 -12.938 44.734 1.00 56.54 ? 272 GLU A OE2 1 ATOM 2258 N N . ASP A 1 274 ? 12.049 -10.676 38.403 1.00 24.25 ? 273 ASP A N 1 ATOM 2259 C CA . ASP A 1 274 ? 11.329 -9.776 37.474 1.00 23.58 ? 273 ASP A CA 1 ATOM 2260 C C . ASP A 1 274 ? 10.069 -10.403 36.897 1.00 21.96 ? 273 ASP A C 1 ATOM 2261 O O . ASP A 1 274 ? 9.114 -9.706 36.599 1.00 20.66 ? 273 ASP A O 1 ATOM 2262 C CB . ASP A 1 274 ? 12.194 -9.358 36.291 1.00 25.96 ? 273 ASP A CB 1 ATOM 2263 C CG . ASP A 1 274 ? 13.267 -8.324 36.648 1.00 28.87 ? 273 ASP A CG 1 ATOM 2264 O OD1 . ASP A 1 274 ? 13.220 -7.731 37.736 1.00 31.26 ? 273 ASP A OD1 1 ATOM 2265 O OD2 . ASP A 1 274 ? 14.149 -8.110 35.788 1.00 31.99 ? 273 ASP A OD2 1 ATOM 2266 N N . GLY A 1 275 ? 10.067 -11.724 36.725 1.00 20.14 ? 274 GLY A N 1 ATOM 2267 C CA . GLY A 1 275 ? 8.884 -12.390 36.224 1.00 19.65 ? 274 GLY A CA 1 ATOM 2268 C C . GLY A 1 275 ? 7.671 -12.238 37.110 1.00 18.97 ? 274 GLY A C 1 ATOM 2269 O O . GLY A 1 275 ? 6.555 -12.155 36.600 1.00 18.59 ? 274 GLY A O 1 ATOM 2270 N N . TRP A 1 276 ? 7.883 -12.186 38.427 1.00 18.18 ? 275 TRP A N 1 ATOM 2271 C CA . TRP A 1 276 ? 6.793 -11.955 39.381 1.00 18.92 ? 275 TRP A CA 1 ATOM 2272 C C . TRP A 1 276 ? 6.234 -10.558 39.190 1.00 18.20 ? 275 TRP A C 1 ATOM 2273 O O . TRP A 1 276 ? 5.024 -10.367 39.193 1.00 17.12 ? 275 TRP A O 1 ATOM 2274 C CB . TRP A 1 276 ? 7.263 -12.189 40.847 1.00 19.44 ? 275 TRP A CB 1 ATOM 2275 C CG . TRP A 1 276 ? 6.308 -11.764 41.880 1.00 20.45 ? 275 TRP A CG 1 ATOM 2276 C CD1 . TRP A 1 276 ? 6.497 -10.777 42.835 1.00 21.66 ? 275 TRP A CD1 1 ATOM 2277 C CD2 . TRP A 1 276 ? 4.983 -12.279 42.081 1.00 19.93 ? 275 TRP A CD2 1 ATOM 2278 N NE1 . TRP A 1 276 ? 5.362 -10.683 43.614 1.00 21.13 ? 275 TRP A NE1 1 ATOM 2279 C CE2 . TRP A 1 276 ? 4.429 -11.589 43.175 1.00 21.66 ? 275 TRP A CE2 1 ATOM 2280 C CE3 . TRP A 1 276 ? 4.221 -13.268 41.449 1.00 20.64 ? 275 TRP A CE3 1 ATOM 2281 C CZ2 . TRP A 1 276 ? 3.118 -11.855 43.657 1.00 22.42 ? 275 TRP A CZ2 1 ATOM 2282 C CZ3 . TRP A 1 276 ? 2.914 -13.538 41.929 1.00 21.71 ? 275 TRP A CZ3 1 ATOM 2283 C CH2 . TRP A 1 276 ? 2.392 -12.831 43.029 1.00 21.70 ? 275 TRP A CH2 1 ATOM 2284 N N . LEU A 1 277 ? 7.127 -9.587 39.006 1.00 18.46 ? 276 LEU A N 1 ATOM 2285 C CA . LEU A 1 277 ? 6.705 -8.206 38.759 1.00 19.01 ? 276 LEU A CA 1 ATOM 2286 C C . LEU A 1 277 ? 5.919 -8.108 37.433 1.00 18.64 ? 276 LEU A C 1 ATOM 2287 O O . LEU A 1 277 ? 4.873 -7.479 37.391 1.00 18.90 ? 276 LEU A O 1 ATOM 2288 C CB . LEU A 1 277 ? 7.899 -7.260 38.772 1.00 20.00 ? 276 LEU A CB 1 ATOM 2289 C CG . LEU A 1 277 ? 8.779 -7.267 40.031 1.00 20.94 ? 276 LEU A CG 1 ATOM 2290 C CD1 . LEU A 1 277 ? 9.964 -6.316 39.878 1.00 21.98 ? 276 LEU A CD1 1 ATOM 2291 C CD2 . LEU A 1 277 ? 7.973 -6.920 41.273 1.00 21.79 ? 276 LEU A CD2 1 ATOM 2292 N N . MET A 1 278 ? 6.373 -8.815 36.405 1.00 18.80 ? 277 MET A N 1 ATOM 2293 C CA . MET A 1 278 ? 5.627 -8.896 35.122 1.00 18.93 ? 277 MET A CA 1 ATOM 2294 C C . MET A 1 278 ? 4.250 -9.546 35.278 1.00 18.60 ? 277 MET A C 1 ATOM 2295 O O . MET A 1 278 ? 3.265 -9.064 34.718 1.00 18.27 ? 277 MET A O 1 ATOM 2296 C CB . MET A 1 278 ? 6.408 -9.690 34.098 1.00 20.63 ? 277 MET A CB 1 ATOM 2297 C CG . MET A 1 278 ? 7.704 -9.040 33.634 1.00 22.46 ? 277 MET A CG 1 ATOM 2298 S SD . MET A 1 278 ? 8.575 -10.238 32.589 1.00 27.06 ? 277 MET A SD 1 ATOM 2299 C CE . MET A 1 278 ? 10.063 -9.333 32.231 1.00 28.54 ? 277 MET A CE 1 ATOM 2300 N N . ARG A 1 279 ? 4.181 -10.615 36.052 1.00 17.38 ? 278 ARG A N 1 ATOM 2301 C CA . ARG A 1 279 ? 2.896 -11.258 36.310 1.00 17.59 ? 278 ARG A CA 1 ATOM 2302 C C . ARG A 1 279 ? 1.952 -10.323 37.060 1.00 18.73 ? 278 ARG A C 1 ATOM 2303 O O . ARG A 1 279 ? 0.771 -10.201 36.690 1.00 18.43 ? 278 ARG A O 1 ATOM 2304 C CB . ARG A 1 279 ? 3.086 -12.577 37.048 1.00 17.75 ? 278 ARG A CB 1 ATOM 2305 C CG . ARG A 1 279 ? 1.783 -13.321 37.338 1.00 17.68 ? 278 ARG A CG 1 ATOM 2306 C CD . ARG A 1 279 ? 1.062 -13.735 36.065 1.00 17.16 ? 278 ARG A CD 1 ATOM 2307 N NE . ARG A 1 279 ? -0.116 -14.575 36.350 1.00 17.37 ? 278 ARG A NE 1 ATOM 2308 C CZ . ARG A 1 279 ? -0.820 -15.239 35.424 1.00 18.58 ? 278 ARG A CZ 1 ATOM 2309 N NH1 . ARG A 1 279 ? -0.461 -15.214 34.136 1.00 18.74 ? 278 ARG A NH1 1 ATOM 2310 N NH2 . ARG A 1 279 ? -1.860 -15.986 35.773 1.00 18.41 ? 278 ARG A NH2 1 ATOM 2311 N N . GLN A 1 280 ? 2.452 -9.638 38.095 1.00 19.70 ? 279 GLN A N 1 ATOM 2312 C CA . GLN A 1 280 ? 1.641 -8.652 38.789 1.00 21.19 ? 279 GLN A CA 1 ATOM 2313 C C . GLN A 1 280 ? 1.161 -7.552 37.847 1.00 21.76 ? 279 GLN A C 1 ATOM 2314 O O . GLN A 1 280 ? 0.036 -7.105 37.990 1.00 21.81 ? 279 GLN A O 1 ATOM 2315 C CB . GLN A 1 280 ? 2.404 -7.979 39.929 1.00 23.38 ? 279 GLN A CB 1 ATOM 2316 C CG . GLN A 1 280 ? 2.688 -8.899 41.083 1.00 24.90 ? 279 GLN A CG 1 ATOM 2317 C CD . GLN A 1 280 ? 3.336 -8.144 42.221 1.00 29.23 ? 279 GLN A CD 1 ATOM 2318 O OE1 . GLN A 1 280 ? 4.338 -7.439 42.032 1.00 32.83 ? 279 GLN A OE1 1 ATOM 2319 N NE2 . GLN A 1 280 ? 2.722 -8.210 43.380 1.00 29.83 ? 279 GLN A NE2 1 ATOM 2320 N N . ASP A 1 281 ? 2.027 -7.105 36.934 1.00 21.50 ? 280 ASP A N 1 ATOM 2321 C CA . ASP A 1 281 ? 1.691 -6.042 35.991 1.00 22.20 ? 280 ASP A CA 1 ATOM 2322 C C . ASP A 1 281 ? 0.552 -6.479 35.046 1.00 22.43 ? 280 ASP A C 1 ATOM 2323 O O . ASP A 1 281 ? -0.184 -5.636 34.541 1.00 21.96 ? 280 ASP A O 1 ATOM 2324 C CB . ASP A 1 281 ? 2.866 -5.682 35.050 1.00 23.11 ? 280 ASP A CB 1 ATOM 2325 C CG . ASP A 1 281 ? 4.071 -5.027 35.733 1.00 25.22 ? 280 ASP A CG 1 ATOM 2326 O OD1 . ASP A 1 281 ? 3.967 -4.510 36.873 1.00 25.73 ? 280 ASP A OD1 1 ATOM 2327 O OD2 . ASP A 1 281 ? 5.169 -5.049 35.071 1.00 24.92 ? 280 ASP A OD2 1 ATOM 2328 N N . THR A 1 282 ? 0.468 -7.770 34.735 1.00 18.89 ? 281 THR A N 1 ATOM 2329 C CA . THR A 1 282 ? -0.356 -8.227 33.623 1.00 19.04 ? 281 THR A CA 1 ATOM 2330 C C . THR A 1 282 ? -1.552 -9.123 33.984 1.00 19.63 ? 281 THR A C 1 ATOM 2331 O O . THR A 1 282 ? -2.484 -9.246 33.179 1.00 19.42 ? 281 THR A O 1 ATOM 2332 C CB . THR A 1 282 ? 0.492 -8.974 32.576 1.00 18.19 ? 281 THR A CB 1 ATOM 2333 O OG1 . THR A 1 282 ? 1.088 -10.151 33.161 1.00 18.26 ? 281 THR A OG1 1 ATOM 2334 C CG2 . THR A 1 282 ? 1.583 -8.094 32.045 1.00 18.50 ? 281 THR A CG2 1 ATOM 2335 N N . GLU A 1 283 ? -1.554 -9.710 35.187 1.00 20.40 ? 282 GLU A N 1 ATOM 2336 C CA . GLU A 1 283 ? -2.587 -10.698 35.566 1.00 21.03 ? 282 GLU A CA 1 ATOM 2337 C C . GLU A 1 283 ? -4.005 -10.134 35.588 1.00 20.85 ? 282 GLU A C 1 ATOM 2338 O O . GLU A 1 283 ? -4.968 -10.886 35.434 1.00 21.61 ? 282 GLU A O 1 ATOM 2339 C CB . GLU A 1 283 ? -2.268 -11.341 36.929 1.00 23.30 ? 282 GLU A CB 1 ATOM 2340 C CG . GLU A 1 283 ? -2.318 -10.364 38.100 1.00 27.70 ? 282 GLU A CG 1 ATOM 2341 C CD . GLU A 1 283 ? -1.931 -10.982 39.438 1.00 33.77 ? 282 GLU A CD 1 ATOM 2342 O OE1 . GLU A 1 283 ? -1.627 -12.202 39.492 1.00 39.25 ? 282 GLU A OE1 1 ATOM 2343 O OE2 . GLU A 1 283 ? -1.931 -10.231 40.437 1.00 37.54 ? 282 GLU A OE2 1 ATOM 2344 N N . GLY A 1 284 ? -4.146 -8.834 35.784 1.00 19.17 ? 283 GLY A N 1 ATOM 2345 C CA . GLY A 1 284 ? -5.463 -8.221 35.830 1.00 20.61 ? 283 GLY A CA 1 ATOM 2346 C C . GLY A 1 284 ? -5.926 -7.563 34.538 1.00 20.36 ? 283 GLY A C 1 ATOM 2347 O O . GLY A 1 284 ? -7.013 -7.001 34.509 1.00 21.21 ? 283 GLY A O 1 ATOM 2348 N N . LEU A 1 285 ? -5.142 -7.649 33.461 1.00 19.40 ? 284 LEU A N 1 ATOM 2349 C CA . LEU A 1 285 ? -5.463 -6.914 32.234 1.00 19.90 ? 284 LEU A CA 1 ATOM 2350 C C . LEU A 1 285 ? -6.754 -7.405 31.589 1.00 20.88 ? 284 LEU A C 1 ATOM 2351 O O . LEU A 1 285 ? -7.585 -6.603 31.182 1.00 21.56 ? 284 LEU A O 1 ATOM 2352 C CB . LEU A 1 285 ? -4.341 -7.022 31.211 1.00 19.21 ? 284 LEU A CB 1 ATOM 2353 C CG . LEU A 1 285 ? -3.021 -6.370 31.606 1.00 19.75 ? 284 LEU A CG 1 ATOM 2354 C CD1 . LEU A 1 285 ? -1.930 -6.723 30.607 1.00 19.16 ? 284 LEU A CD1 1 ATOM 2355 C CD2 . LEU A 1 285 ? -3.212 -4.874 31.753 1.00 22.25 ? 284 LEU A CD2 1 ATOM 2356 N N . VAL A 1 286 ? -6.904 -8.715 31.482 1.00 21.47 ? 285 VAL A N 1 ATOM 2357 C CA . VAL A 1 286 ? -8.103 -9.316 30.892 1.00 23.71 ? 285 VAL A CA 1 ATOM 2358 C C . VAL A 1 286 ? -9.068 -9.680 32.013 1.00 27.39 ? 285 VAL A C 1 ATOM 2359 O O . VAL A 1 286 ? -8.726 -10.417 32.920 1.00 27.43 ? 285 VAL A O 1 ATOM 2360 C CB . VAL A 1 286 ? -7.722 -10.532 30.041 1.00 25.13 ? 285 VAL A CB 1 ATOM 2361 C CG1 . VAL A 1 286 ? -8.940 -11.351 29.628 1.00 27.79 ? 285 VAL A CG1 1 ATOM 2362 C CG2 . VAL A 1 286 ? -6.976 -10.062 28.809 1.00 24.82 ? 285 VAL A CG2 1 ATOM 2363 N N . GLU A 1 287 ? -10.275 -9.132 31.956 1.00 29.99 ? 286 GLU A N 1 ATOM 2364 C CA . GLU A 1 287 ? -11.259 -9.381 33.000 1.00 32.68 ? 286 GLU A CA 1 ATOM 2365 C C . GLU A 1 287 ? -11.697 -10.848 32.924 1.00 32.58 ? 286 GLU A C 1 ATOM 2366 O O . GLU A 1 287 ? -12.210 -11.333 31.899 1.00 29.68 ? 286 GLU A O 1 ATOM 2367 C CB . GLU A 1 287 ? -12.439 -8.415 32.880 1.00 35.34 ? 286 GLU A CB 1 ATOM 2368 C CG . GLU A 1 287 ? -13.023 -7.979 34.219 1.00 41.00 ? 286 GLU A CG 1 ATOM 2369 C CD . GLU A 1 287 ? -13.746 -9.101 34.948 1.00 43.66 ? 286 GLU A CD 1 ATOM 2370 O OE1 . GLU A 1 287 ? -14.441 -9.903 34.289 1.00 42.36 ? 286 GLU A OE1 1 ATOM 2371 O OE2 . GLU A 1 287 ? -13.598 -9.196 36.182 1.00 48.32 ? 286 GLU A OE2 1 ATOM 2372 N N . ALA A 1 288 ? -11.529 -11.519 34.059 1.00 32.66 ? 287 ALA A N 1 ATOM 2373 C CA . ALA A 1 288 ? -11.724 -12.958 34.194 1.00 34.49 ? 287 ALA A CA 1 ATOM 2374 C C . ALA A 1 288 ? -13.030 -13.510 33.618 1.00 34.58 ? 287 ALA A C 1 ATOM 2375 O O . ALA A 1 288 ? -13.030 -14.561 32.961 1.00 36.70 ? 287 ALA A O 1 ATOM 2376 C CB . ALA A 1 288 ? -11.593 -13.346 35.664 1.00 35.43 ? 287 ALA A CB 1 ATOM 2377 N N . THR A 1 289 ? -14.136 -12.806 33.843 1.00 35.25 ? 288 THR A N 1 ATOM 2378 C CA . THR A 1 289 ? -15.450 -13.341 33.475 1.00 36.97 ? 288 THR A CA 1 ATOM 2379 C C . THR A 1 289 ? -16.132 -12.636 32.297 1.00 36.17 ? 288 THR A C 1 ATOM 2380 O O . THR A 1 289 ? -17.070 -13.206 31.707 1.00 36.33 ? 288 THR A O 1 ATOM 2381 C CB . THR A 1 289 ? -16.414 -13.302 34.693 1.00 39.96 ? 288 THR A CB 1 ATOM 2382 O OG1 . THR A 1 289 ? -16.575 -11.951 35.134 1.00 40.92 ? 288 THR A OG1 1 ATOM 2383 C CG2 . THR A 1 289 ? -15.857 -14.133 35.842 1.00 39.87 ? 288 THR A CG2 1 ATOM 2384 N N . MET A 1 290 ? -15.700 -11.408 31.989 1.00 32.87 ? 289 MET A N 1 ATOM 2385 C CA . MET A 1 290 ? -16.395 -10.555 31.034 1.00 32.33 ? 289 MET A CA 1 ATOM 2386 C C . MET A 1 290 ? -16.242 -11.096 29.604 1.00 28.56 ? 289 MET A C 1 ATOM 2387 O O . MET A 1 290 ? -15.123 -11.223 29.101 1.00 25.38 ? 289 MET A O 1 ATOM 2388 C CB . MET A 1 290 ? -15.851 -9.126 31.110 1.00 32.89 ? 289 MET A CB 1 ATOM 2389 C CG . MET A 1 290 ? -16.614 -8.110 30.288 1.00 36.69 ? 289 MET A CG 1 ATOM 2390 S SD . MET A 1 290 ? -15.737 -6.536 30.305 1.00 39.76 ? 289 MET A SD 1 ATOM 2391 C CE . MET A 1 290 ? -16.853 -5.502 29.360 1.00 39.98 ? 289 MET A CE 1 ATOM 2392 N N . PRO A 1 291 ? -17.374 -11.374 28.930 1.00 26.54 ? 290 PRO A N 1 ATOM 2393 C CA . PRO A 1 291 ? -17.333 -11.853 27.549 1.00 25.42 ? 290 PRO A CA 1 ATOM 2394 C C . PRO A 1 291 ? -16.934 -10.730 26.590 1.00 24.06 ? 290 PRO A C 1 ATOM 2395 O O . PRO A 1 291 ? -17.000 -9.563 26.954 1.00 23.27 ? 290 PRO A O 1 ATOM 2396 C CB . PRO A 1 291 ? -18.778 -12.319 27.303 1.00 26.62 ? 290 PRO A CB 1 ATOM 2397 C CG . PRO A 1 291 ? -19.601 -11.422 28.171 1.00 27.31 ? 290 PRO A CG 1 ATOM 2398 C CD . PRO A 1 291 ? -18.755 -11.090 29.373 1.00 27.89 ? 290 PRO A CD 1 ATOM 2399 N N . PRO A 1 292 ? -16.582 -11.064 25.348 1.00 22.56 ? 291 PRO A N 1 ATOM 2400 C CA . PRO A 1 292 ? -16.208 -10.003 24.420 1.00 21.76 ? 291 PRO A CA 1 ATOM 2401 C C . PRO A 1 292 ? -17.366 -9.097 23.986 1.00 21.99 ? 291 PRO A C 1 ATOM 2402 O O . PRO A 1 292 ? -17.144 -7.981 23.565 1.00 20.81 ? 291 PRO A O 1 ATOM 2403 C CB . PRO A 1 292 ? -15.641 -10.774 23.225 1.00 22.14 ? 291 PRO A CB 1 ATOM 2404 C CG . PRO A 1 292 ? -16.300 -12.108 23.299 1.00 22.41 ? 291 PRO A CG 1 ATOM 2405 C CD . PRO A 1 292 ? -16.387 -12.403 24.764 1.00 22.43 ? 291 PRO A CD 1 ATOM 2406 N N . GLY A 1 293 ? -18.601 -9.582 24.056 1.00 22.10 ? 292 GLY A N 1 ATOM 2407 C CA . GLY A 1 293 ? -19.750 -8.776 23.650 1.00 22.26 ? 292 GLY A CA 1 ATOM 2408 C C . GLY A 1 293 ? -19.922 -8.632 22.146 1.00 21.86 ? 292 GLY A C 1 ATOM 2409 O O . GLY A 1 293 ? -20.571 -7.691 21.667 1.00 24.01 ? 292 GLY A O 1 ATOM 2410 N N . VAL A 1 294 ? -19.452 -9.627 21.395 1.00 20.32 ? 293 VAL A N 1 ATOM 2411 C CA . VAL A 1 294 ? -19.691 -9.710 19.961 1.00 19.91 ? 293 VAL A CA 1 ATOM 2412 C C . VAL A 1 294 ? -19.984 -11.155 19.582 1.00 19.75 ? 293 VAL A C 1 ATOM 2413 O O . VAL A 1 294 ? -19.732 -12.073 20.354 1.00 18.88 ? 293 VAL A O 1 ATOM 2414 C CB . VAL A 1 294 ? -18.473 -9.220 19.158 1.00 19.09 ? 293 VAL A CB 1 ATOM 2415 C CG1 . VAL A 1 294 ? -18.122 -7.799 19.543 1.00 19.16 ? 293 VAL A CG1 1 ATOM 2416 C CG2 . VAL A 1 294 ? -17.302 -10.144 19.337 1.00 18.50 ? 293 VAL A CG2 1 ATOM 2417 N N . GLN A 1 295 ? -20.550 -11.349 18.400 1.00 20.04 ? 294 GLN A N 1 ATOM 2418 C CA . GLN A 1 295 ? -20.759 -12.706 17.877 1.00 21.43 ? 294 GLN A CA 1 ATOM 2419 C C . GLN A 1 295 ? -19.432 -13.408 17.809 1.00 20.84 ? 294 GLN A C 1 ATOM 2420 O O . GLN A 1 295 ? -18.491 -12.877 17.229 1.00 19.71 ? 294 GLN A O 1 ATOM 2421 C CB . GLN A 1 295 ? -21.364 -12.679 16.485 1.00 23.30 ? 294 GLN A CB 1 ATOM 2422 C CG . GLN A 1 295 ? -21.631 -14.067 15.941 1.00 25.63 ? 294 GLN A CG 1 ATOM 2423 C CD . GLN A 1 295 ? -22.179 -14.011 14.532 1.00 28.76 ? 294 GLN A CD 1 ATOM 2424 O OE1 . GLN A 1 295 ? -21.490 -14.327 13.566 1.00 30.92 ? 294 GLN A OE1 1 ATOM 2425 N NE2 . GLN A 1 295 ? -23.428 -13.627 14.421 1.00 31.28 ? 294 GLN A NE2 1 ATOM 2426 N N . LEU A 1 296 ? -19.343 -14.570 18.450 1.00 20.95 ? 295 LEU A N 1 ATOM 2427 C CA . LEU A 1 296 ? -18.060 -15.249 18.635 1.00 20.63 ? 295 LEU A CA 1 ATOM 2428 C C . LEU A 1 296 ? -18.117 -16.676 18.086 1.00 21.07 ? 295 LEU A C 1 ATOM 2429 O O . LEU A 1 296 ? -19.062 -17.418 18.369 1.00 22.17 ? 295 LEU A O 1 ATOM 2430 C CB . LEU A 1 296 ? -17.715 -15.262 20.129 1.00 21.45 ? 295 LEU A CB 1 ATOM 2431 C CG . LEU A 1 296 ? -16.484 -16.047 20.561 1.00 22.00 ? 295 LEU A CG 1 ATOM 2432 C CD1 . LEU A 1 296 ? -15.214 -15.370 20.063 1.00 21.85 ? 295 LEU A CD1 1 ATOM 2433 C CD2 . LEU A 1 296 ? -16.468 -16.145 22.069 1.00 23.76 ? 295 LEU A CD2 1 ATOM 2434 N N . HIS A 1 297 ? -17.108 -17.043 17.301 1.00 20.41 ? 296 HIS A N 1 ATOM 2435 C CA . HIS A 1 297 ? -16.934 -18.392 16.795 1.00 20.95 ? 296 HIS A CA 1 ATOM 2436 C C . HIS A 1 297 ? -15.639 -18.899 17.411 1.00 21.67 ? 296 HIS A C 1 ATOM 2437 O O . HIS A 1 297 ? -14.558 -18.430 17.070 1.00 19.95 ? 296 HIS A O 1 ATOM 2438 C CB . HIS A 1 297 ? -16.833 -18.391 15.271 1.00 22.04 ? 296 HIS A CB 1 ATOM 2439 C CG . HIS A 1 297 ? -18.026 -17.806 14.591 1.00 23.33 ? 296 HIS A CG 1 ATOM 2440 N ND1 . HIS A 1 297 ? -19.030 -18.580 14.058 1.00 24.95 ? 296 HIS A ND1 1 ATOM 2441 C CD2 . HIS A 1 297 ? -18.393 -16.519 14.381 1.00 23.66 ? 296 HIS A CD2 1 ATOM 2442 C CE1 . HIS A 1 297 ? -19.954 -17.801 13.531 1.00 25.34 ? 296 HIS A CE1 1 ATOM 2443 N NE2 . HIS A 1 297 ? -19.577 -16.546 13.693 1.00 24.58 ? 296 HIS A NE2 1 ATOM 2444 N N . CYS A 1 298 ? -15.768 -19.853 18.317 1.00 21.63 ? 297 CYS A N 1 ATOM 2445 C CA A CYS A 1 298 ? -14.632 -20.394 19.062 0.50 22.38 ? 297 CYS A CA 1 ATOM 2446 C CA B CYS A 1 298 ? -14.636 -20.372 19.061 0.50 23.12 ? 297 CYS A CA 1 ATOM 2447 C C . CYS A 1 298 ? -14.190 -21.708 18.480 1.00 22.55 ? 297 CYS A C 1 ATOM 2448 O O . CYS A 1 298 ? -14.852 -22.732 18.664 1.00 21.85 ? 297 CYS A O 1 ATOM 2449 C CB A CYS A 1 298 ? -15.029 -20.616 20.518 0.50 24.09 ? 297 CYS A CB 1 ATOM 2450 C CB B CYS A 1 298 ? -15.048 -20.498 20.521 0.50 25.76 ? 297 CYS A CB 1 ATOM 2451 S SG A CYS A 1 298 ? -15.047 -19.075 21.421 0.50 26.46 ? 297 CYS A SG 1 ATOM 2452 S SG B CYS A 1 298 ? -13.843 -21.272 21.597 0.50 31.25 ? 297 CYS A SG 1 ATOM 2453 N N . LEU A 1 299 ? -13.066 -21.687 17.773 1.00 20.59 ? 298 LEU A N 1 ATOM 2454 C CA . LEU A 1 299 ? -12.550 -22.870 17.134 1.00 20.86 ? 298 LEU A CA 1 ATOM 2455 C C . LEU A 1 299 ? -11.351 -23.391 17.930 1.00 20.52 ? 298 LEU A C 1 ATOM 2456 O O . LEU A 1 299 ? -10.384 -22.661 18.164 1.00 19.25 ? 298 LEU A O 1 ATOM 2457 C CB . LEU A 1 299 ? -12.155 -22.556 15.683 1.00 21.25 ? 298 LEU A CB 1 ATOM 2458 C CG . LEU A 1 299 ? -13.292 -22.619 14.651 1.00 23.27 ? 298 LEU A CG 1 ATOM 2459 C CD1 . LEU A 1 299 ? -14.366 -21.585 14.939 1.00 24.31 ? 298 LEU A CD1 1 ATOM 2460 C CD2 . LEU A 1 299 ? -12.757 -22.417 13.244 1.00 23.37 ? 298 LEU A CD2 1 ATOM 2461 N N . TYR A 1 300 ? -11.412 -24.649 18.354 1.00 20.72 ? 299 TYR A N 1 ATOM 2462 C CA . TYR A 1 300 ? -10.387 -25.202 19.237 1.00 21.00 ? 299 TYR A CA 1 ATOM 2463 C C . TYR A 1 300 ? -10.016 -26.624 18.791 1.00 21.32 ? 299 TYR A C 1 ATOM 2464 O O . TYR A 1 300 ? -10.892 -27.416 18.436 1.00 21.91 ? 299 TYR A O 1 ATOM 2465 C CB . TYR A 1 300 ? -10.843 -25.161 20.713 1.00 21.67 ? 299 TYR A CB 1 ATOM 2466 C CG . TYR A 1 300 ? -12.096 -25.945 21.001 1.00 23.64 ? 299 TYR A CG 1 ATOM 2467 C CD1 . TYR A 1 300 ? -13.356 -25.394 20.789 1.00 25.23 ? 299 TYR A CD1 1 ATOM 2468 C CD2 . TYR A 1 300 ? -12.022 -27.246 21.475 1.00 24.93 ? 299 TYR A CD2 1 ATOM 2469 C CE1 . TYR A 1 300 ? -14.502 -26.129 21.026 1.00 26.00 ? 299 TYR A CE1 1 ATOM 2470 C CE2 . TYR A 1 300 ? -13.157 -27.990 21.705 1.00 26.15 ? 299 TYR A CE2 1 ATOM 2471 C CZ . TYR A 1 300 ? -14.393 -27.422 21.476 1.00 27.50 ? 299 TYR A CZ 1 ATOM 2472 O OH . TYR A 1 300 ? -15.523 -28.169 21.731 1.00 29.31 ? 299 TYR A OH 1 ATOM 2473 N N . GLY A 1 301 ? -8.728 -26.924 18.789 1.00 20.20 ? 300 GLY A N 1 ATOM 2474 C CA . GLY A 1 301 ? -8.259 -28.253 18.453 1.00 21.55 ? 300 GLY A CA 1 ATOM 2475 C C . GLY A 1 301 ? -8.305 -29.230 19.619 1.00 22.79 ? 300 GLY A C 1 ATOM 2476 O O . GLY A 1 301 ? -8.090 -28.851 20.791 1.00 23.01 ? 300 GLY A O 1 ATOM 2477 N N . THR A 1 302 ? -8.543 -30.499 19.295 1.00 23.07 ? 301 THR A N 1 ATOM 2478 C CA . THR A 1 302 ? -8.499 -31.593 20.272 1.00 24.66 ? 301 THR A CA 1 ATOM 2479 C C . THR A 1 302 ? -7.746 -32.771 19.676 1.00 24.44 ? 301 THR A C 1 ATOM 2480 O O . THR A 1 302 ? -7.430 -32.776 18.475 1.00 23.26 ? 301 THR A O 1 ATOM 2481 C CB . THR A 1 302 ? -9.909 -32.079 20.674 1.00 26.35 ? 301 THR A CB 1 ATOM 2482 O OG1 . THR A 1 302 ? -10.605 -32.574 19.521 1.00 26.84 ? 301 THR A OG1 1 ATOM 2483 C CG2 . THR A 1 302 ? -10.687 -30.957 21.290 1.00 27.48 ? 301 THR A CG2 1 ATOM 2484 N N . GLY A 1 303 ? -7.456 -33.755 20.517 1.00 25.63 ? 302 GLY A N 1 ATOM 2485 C CA . GLY A 1 303 ? -6.866 -35.020 20.066 1.00 25.45 ? 302 GLY A CA 1 ATOM 2486 C C . GLY A 1 303 ? -5.377 -34.948 19.839 1.00 26.06 ? 302 GLY A C 1 ATOM 2487 O O . GLY A 1 303 ? -4.811 -35.858 19.251 1.00 27.34 ? 302 GLY A O 1 ATOM 2488 N N . VAL A 1 304 ? -4.730 -33.874 20.294 1.00 23.73 ? 303 VAL A N 1 ATOM 2489 C CA . VAL A 1 304 ? -3.281 -33.719 20.148 1.00 23.85 ? 303 VAL A CA 1 ATOM 2490 C C . VAL A 1 304 ? -2.686 -33.684 21.579 1.00 23.52 ? 303 VAL A C 1 ATOM 2491 O O . VAL A 1 304 ? -3.104 -32.858 22.375 1.00 22.78 ? 303 VAL A O 1 ATOM 2492 C CB . VAL A 1 304 ? -2.931 -32.414 19.401 1.00 23.94 ? 303 VAL A CB 1 ATOM 2493 C CG1 . VAL A 1 304 ? -1.434 -32.295 19.224 1.00 23.43 ? 303 VAL A CG1 1 ATOM 2494 C CG2 . VAL A 1 304 ? -3.658 -32.333 18.052 1.00 24.81 ? 303 VAL A CG2 1 ATOM 2495 N N . PRO A 1 305 ? -1.727 -34.579 21.915 1.00 23.58 ? 304 PRO A N 1 ATOM 2496 C CA . PRO A 1 305 ? -1.142 -34.507 23.250 1.00 23.05 ? 304 PRO A CA 1 ATOM 2497 C C . PRO A 1 305 ? -0.583 -33.109 23.553 1.00 21.29 ? 304 PRO A C 1 ATOM 2498 O O . PRO A 1 305 ? 0.187 -32.563 22.770 1.00 20.75 ? 304 PRO A O 1 ATOM 2499 C CB . PRO A 1 305 ? -0.044 -35.570 23.212 1.00 24.49 ? 304 PRO A CB 1 ATOM 2500 C CG . PRO A 1 305 ? -0.485 -36.516 22.118 1.00 25.99 ? 304 PRO A CG 1 ATOM 2501 C CD . PRO A 1 305 ? -1.060 -35.602 21.091 1.00 25.16 ? 304 PRO A CD 1 ATOM 2502 N N . THR A 1 306 ? -1.021 -32.540 24.669 1.00 19.53 ? 305 THR A N 1 ATOM 2503 C CA . THR A 1 306 ? -0.701 -31.172 25.037 1.00 18.50 ? 305 THR A CA 1 ATOM 2504 C C . THR A 1 306 ? -0.090 -31.146 26.437 1.00 18.71 ? 305 THR A C 1 ATOM 2505 O O . THR A 1 306 ? -0.693 -31.680 27.370 1.00 17.76 ? 305 THR A O 1 ATOM 2506 C CB . THR A 1 306 ? -1.983 -30.336 25.015 1.00 18.12 ? 305 THR A CB 1 ATOM 2507 O OG1 . THR A 1 306 ? -2.634 -30.507 23.738 1.00 18.29 ? 305 THR A OG1 1 ATOM 2508 C CG2 . THR A 1 306 ? -1.668 -28.871 25.269 1.00 17.82 ? 305 THR A CG2 1 ATOM 2509 N N . PRO A 1 307 ? 1.093 -30.514 26.600 1.00 19.18 ? 306 PRO A N 1 ATOM 2510 C CA . PRO A 1 307 ? 1.718 -30.506 27.933 1.00 19.66 ? 306 PRO A CA 1 ATOM 2511 C C . PRO A 1 307 ? 0.795 -29.948 28.991 1.00 20.09 ? 306 PRO A C 1 ATOM 2512 O O . PRO A 1 307 ? 0.213 -28.879 28.785 1.00 19.34 ? 306 PRO A O 1 ATOM 2513 C CB . PRO A 1 307 ? 2.947 -29.615 27.741 1.00 19.41 ? 306 PRO A CB 1 ATOM 2514 C CG . PRO A 1 307 ? 3.271 -29.767 26.283 1.00 20.38 ? 306 PRO A CG 1 ATOM 2515 C CD . PRO A 1 307 ? 1.930 -29.802 25.616 1.00 19.63 ? 306 PRO A CD 1 ATOM 2516 N N . ASP A 1 308 ? 0.666 -30.689 30.098 1.00 20.56 ? 307 ASP A N 1 ATOM 2517 C CA . ASP A 1 308 ? -0.228 -30.367 31.201 1.00 22.47 ? 307 ASP A CA 1 ATOM 2518 C C . ASP A 1 308 ? 0.553 -30.070 32.510 1.00 21.91 ? 307 ASP A C 1 ATOM 2519 O O . ASP A 1 308 ? 0.124 -29.249 33.308 1.00 20.95 ? 307 ASP A O 1 ATOM 2520 C CB . ASP A 1 308 ? -1.192 -31.539 31.394 1.00 24.32 ? 307 ASP A CB 1 ATOM 2521 C CG . ASP A 1 308 ? -1.920 -31.497 32.731 1.00 27.18 ? 307 ASP A CG 1 ATOM 2522 O OD1 . ASP A 1 308 ? -3.006 -30.901 32.773 1.00 27.66 ? 307 ASP A OD1 1 ATOM 2523 O OD2 . ASP A 1 308 ? -1.420 -32.103 33.708 1.00 27.95 ? 307 ASP A OD2 1 ATOM 2524 N N . SER A 1 309 ? 1.650 -30.790 32.747 1.00 20.76 ? 308 SER A N 1 ATOM 2525 C CA . SER A 1 309 ? 2.444 -30.624 33.963 1.00 21.32 ? 308 SER A CA 1 ATOM 2526 C C . SER A 1 309 ? 3.814 -31.230 33.751 1.00 20.76 ? 308 SER A C 1 ATOM 2527 O O . SER A 1 309 ? 4.017 -31.976 32.788 1.00 20.44 ? 308 SER A O 1 ATOM 2528 C CB . SER A 1 309 ? 1.759 -31.236 35.178 1.00 22.01 ? 308 SER A CB 1 ATOM 2529 O OG . SER A 1 309 ? 1.385 -32.561 34.914 1.00 24.37 ? 308 SER A OG 1 ATOM 2530 N N . PHE A 1 310 ? 4.739 -30.880 34.642 1.00 19.53 ? 309 PHE A N 1 ATOM 2531 C CA . PHE A 1 310 ? 6.160 -31.175 34.465 1.00 19.68 ? 309 PHE A CA 1 ATOM 2532 C C . PHE A 1 310 ? 6.775 -31.717 35.750 1.00 20.97 ? 309 PHE A C 1 ATOM 2533 O O . PHE A 1 310 ? 6.468 -31.225 36.852 1.00 20.46 ? 309 PHE A O 1 ATOM 2534 C CB . PHE A 1 310 ? 6.887 -29.910 34.053 1.00 19.24 ? 309 PHE A CB 1 ATOM 2535 C CG . PHE A 1 310 ? 6.267 -29.246 32.850 1.00 19.59 ? 309 PHE A CG 1 ATOM 2536 C CD1 . PHE A 1 310 ? 6.535 -29.728 31.582 1.00 20.27 ? 309 PHE A CD1 1 ATOM 2537 C CD2 . PHE A 1 310 ? 5.346 -28.223 32.995 1.00 19.32 ? 309 PHE A CD2 1 ATOM 2538 C CE1 . PHE A 1 310 ? 5.931 -29.187 30.460 1.00 20.41 ? 309 PHE A CE1 1 ATOM 2539 C CE2 . PHE A 1 310 ? 4.728 -27.668 31.874 1.00 19.75 ? 309 PHE A CE2 1 ATOM 2540 C CZ . PHE A 1 310 ? 5.041 -28.141 30.599 1.00 20.18 ? 309 PHE A CZ 1 ATOM 2541 N N . TYR A 1 311 ? 7.614 -32.729 35.607 1.00 21.72 ? 310 TYR A N 1 ATOM 2542 C CA . TYR A 1 311 ? 8.325 -33.312 36.739 1.00 24.53 ? 310 TYR A CA 1 ATOM 2543 C C . TYR A 1 311 ? 9.819 -33.111 36.534 1.00 24.20 ? 310 TYR A C 1 ATOM 2544 O O . TYR A 1 311 ? 10.371 -33.607 35.563 1.00 23.33 ? 310 TYR A O 1 ATOM 2545 C CB . TYR A 1 311 ? 8.039 -34.815 36.903 1.00 27.92 ? 310 TYR A CB 1 ATOM 2546 C CG . TYR A 1 311 ? 8.830 -35.350 38.099 1.00 33.91 ? 310 TYR A CG 1 ATOM 2547 C CD1 . TYR A 1 311 ? 8.438 -35.063 39.398 1.00 36.49 ? 310 TYR A CD1 1 ATOM 2548 C CD2 . TYR A 1 311 ? 10.026 -36.062 37.926 1.00 37.87 ? 310 TYR A CD2 1 ATOM 2549 C CE1 . TYR A 1 311 ? 9.172 -35.489 40.498 1.00 40.59 ? 310 TYR A CE1 1 ATOM 2550 C CE2 . TYR A 1 311 ? 10.763 -36.506 39.026 1.00 41.92 ? 310 TYR A CE2 1 ATOM 2551 C CZ . TYR A 1 311 ? 10.334 -36.214 40.306 1.00 43.66 ? 310 TYR A CZ 1 ATOM 2552 O OH . TYR A 1 311 ? 11.089 -36.631 41.387 1.00 51.58 ? 310 TYR A OH 1 ATOM 2553 N N . TYR A 1 312 ? 10.448 -32.397 37.456 1.00 24.19 ? 311 TYR A N 1 ATOM 2554 C CA . TYR A 1 312 ? 11.876 -32.091 37.373 1.00 25.06 ? 311 TYR A CA 1 ATOM 2555 C C . TYR A 1 312 ? 12.674 -32.917 38.359 1.00 28.12 ? 311 TYR A C 1 ATOM 2556 O O . TYR A 1 312 ? 12.454 -32.810 39.554 1.00 28.85 ? 311 TYR A O 1 ATOM 2557 C CB . TYR A 1 312 ? 12.121 -30.607 37.665 1.00 23.82 ? 311 TYR A CB 1 ATOM 2558 C CG . TYR A 1 312 ? 11.759 -29.678 36.555 1.00 22.03 ? 311 TYR A CG 1 ATOM 2559 C CD1 . TYR A 1 312 ? 10.456 -29.182 36.414 1.00 21.24 ? 311 TYR A CD1 1 ATOM 2560 C CD2 . TYR A 1 312 ? 12.723 -29.198 35.691 1.00 22.37 ? 311 TYR A CD2 1 ATOM 2561 C CE1 . TYR A 1 312 ? 10.127 -28.287 35.404 1.00 19.98 ? 311 TYR A CE1 1 ATOM 2562 C CE2 . TYR A 1 312 ? 12.404 -28.297 34.689 1.00 20.99 ? 311 TYR A CE2 1 ATOM 2563 C CZ . TYR A 1 312 ? 11.100 -27.845 34.552 1.00 19.81 ? 311 TYR A CZ 1 ATOM 2564 O OH . TYR A 1 312 ? 10.780 -27.005 33.539 1.00 18.65 ? 311 TYR A OH 1 ATOM 2565 N N . GLU A 1 313 ? 13.585 -33.741 37.859 1.00 31.72 ? 312 GLU A N 1 ATOM 2566 C CA . GLU A 1 313 ? 14.510 -34.472 38.730 1.00 37.14 ? 312 GLU A CA 1 ATOM 2567 C C . GLU A 1 313 ? 15.616 -33.550 39.208 1.00 35.87 ? 312 GLU A C 1 ATOM 2568 O O . GLU A 1 313 ? 16.129 -33.725 40.299 1.00 39.43 ? 312 GLU A O 1 ATOM 2569 C CB . GLU A 1 313 ? 15.080 -35.690 38.004 1.00 43.95 ? 312 GLU A CB 1 ATOM 2570 C CG . GLU A 1 313 ? 13.981 -36.699 37.694 1.00 51.98 ? 312 GLU A CG 1 ATOM 2571 C CD . GLU A 1 313 ? 14.380 -37.804 36.728 1.00 62.71 ? 312 GLU A CD 1 ATOM 2572 O OE1 . GLU A 1 313 ? 15.590 -38.016 36.491 1.00 66.03 ? 312 GLU A OE1 1 ATOM 2573 O OE2 . GLU A 1 313 ? 13.459 -38.472 36.210 1.00 70.53 ? 312 GLU A OE2 1 ATOM 2574 N N . SER A 1 314 ? 15.951 -32.556 38.396 1.00 32.57 ? 313 SER A N 1 ATOM 2575 C CA . SER A 1 314 ? 16.857 -31.484 38.774 1.00 32.01 ? 313 SER A CA 1 ATOM 2576 C C . SER A 1 314 ? 16.269 -30.146 38.273 1.00 29.55 ? 313 SER A C 1 ATOM 2577 O O . SER A 1 314 ? 16.114 -29.952 37.078 1.00 29.07 ? 313 SER A O 1 ATOM 2578 C CB . SER A 1 314 ? 18.217 -31.734 38.141 1.00 34.56 ? 313 SER A CB 1 ATOM 2579 O OG . SER A 1 314 ? 19.060 -30.620 38.317 1.00 36.28 ? 313 SER A OG 1 ATOM 2580 N N . PHE A 1 315 ? 15.970 -29.233 39.189 1.00 28.36 ? 314 PHE A N 1 ATOM 2581 C CA . PHE A 1 315 ? 15.222 -28.003 38.893 1.00 26.56 ? 314 PHE A CA 1 ATOM 2582 C C . PHE A 1 315 ? 16.089 -26.796 39.238 1.00 26.50 ? 314 PHE A C 1 ATOM 2583 O O . PHE A 1 315 ? 16.676 -26.799 40.308 1.00 25.71 ? 314 PHE A O 1 ATOM 2584 C CB . PHE A 1 315 ? 13.978 -27.981 39.781 1.00 24.79 ? 314 PHE A CB 1 ATOM 2585 C CG . PHE A 1 315 ? 13.085 -26.761 39.611 1.00 23.41 ? 314 PHE A CG 1 ATOM 2586 C CD1 . PHE A 1 315 ? 12.183 -26.682 38.547 1.00 22.75 ? 314 PHE A CD1 1 ATOM 2587 C CD2 . PHE A 1 315 ? 13.087 -25.729 40.554 1.00 23.13 ? 314 PHE A CD2 1 ATOM 2588 C CE1 . PHE A 1 315 ? 11.348 -25.583 38.415 1.00 21.82 ? 314 PHE A CE1 1 ATOM 2589 C CE2 . PHE A 1 315 ? 12.245 -24.632 40.436 1.00 21.98 ? 314 PHE A CE2 1 ATOM 2590 C CZ . PHE A 1 315 ? 11.367 -24.564 39.366 1.00 21.78 ? 314 PHE A CZ 1 ATOM 2591 N N . PRO A 1 316 ? 16.128 -25.744 38.415 1.00 26.30 ? 315 PRO A N 1 ATOM 2592 C CA . PRO A 1 316 ? 15.377 -25.608 37.158 1.00 26.28 ? 315 PRO A CA 1 ATOM 2593 C C . PRO A 1 316 ? 16.229 -25.785 35.899 1.00 27.49 ? 315 PRO A C 1 ATOM 2594 O O . PRO A 1 316 ? 15.731 -25.502 34.808 1.00 28.78 ? 315 PRO A O 1 ATOM 2595 C CB . PRO A 1 316 ? 14.927 -24.150 37.222 1.00 26.32 ? 315 PRO A CB 1 ATOM 2596 C CG . PRO A 1 316 ? 16.114 -23.456 37.844 1.00 26.25 ? 315 PRO A CG 1 ATOM 2597 C CD . PRO A 1 316 ? 16.684 -24.443 38.843 1.00 27.18 ? 315 PRO A CD 1 ATOM 2598 N N . ASP A 1 317 ? 17.468 -26.254 36.016 1.00 28.49 ? 316 ASP A N 1 ATOM 2599 C CA . ASP A 1 317 ? 18.399 -26.209 34.883 1.00 32.37 ? 316 ASP A CA 1 ATOM 2600 C C . ASP A 1 317 ? 18.524 -27.489 34.043 1.00 33.28 ? 316 ASP A C 1 ATOM 2601 O O . ASP A 1 317 ? 19.461 -27.617 33.254 1.00 34.88 ? 316 ASP A O 1 ATOM 2602 C CB . ASP A 1 317 ? 19.792 -25.766 35.351 1.00 35.01 ? 316 ASP A CB 1 ATOM 2603 C CG . ASP A 1 317 ? 19.842 -24.295 35.777 1.00 38.27 ? 316 ASP A CG 1 ATOM 2604 O OD1 . ASP A 1 317 ? 18.980 -23.475 35.375 1.00 34.08 ? 316 ASP A OD1 1 ATOM 2605 O OD2 . ASP A 1 317 ? 20.759 -23.967 36.555 1.00 43.00 ? 316 ASP A OD2 1 ATOM 2606 N N . ARG A 1 318 ? 17.598 -28.423 34.202 1.00 33.15 ? 317 ARG A N 1 ATOM 2607 C CA . ARG A 1 318 ? 17.518 -29.615 33.350 1.00 34.55 ? 317 ARG A CA 1 ATOM 2608 C C . ARG A 1 318 ? 16.098 -29.798 32.831 1.00 32.10 ? 317 ARG A C 1 ATOM 2609 O O . ARG A 1 318 ? 15.151 -29.417 33.503 1.00 29.30 ? 317 ARG A O 1 ATOM 2610 C CB . ARG A 1 318 ? 17.926 -30.817 34.168 1.00 38.64 ? 317 ARG A CB 1 ATOM 2611 C CG . ARG A 1 318 ? 19.443 -30.838 34.400 1.00 45.74 ? 317 ARG A CG 1 ATOM 2612 C CD . ARG A 1 318 ? 20.227 -31.442 33.202 1.00 52.01 ? 317 ARG A CD 1 ATOM 2613 N NE . ARG A 1 318 ? 21.500 -32.070 33.599 1.00 61.23 ? 317 ARG A NE 1 ATOM 2614 C CZ . ARG A 1 318 ? 22.626 -31.399 33.856 1.00 66.70 ? 317 ARG A CZ 1 ATOM 2615 N NH1 . ARG A 1 318 ? 22.675 -30.070 33.764 1.00 69.45 ? 317 ARG A NH1 1 ATOM 2616 N NH2 . ARG A 1 318 ? 23.725 -32.063 34.207 1.00 70.07 ? 317 ARG A NH2 1 ATOM 2617 N N . ASP A 1 319 ? 15.950 -30.374 31.641 1.00 29.81 ? 318 ASP A N 1 ATOM 2618 C CA . ASP A 1 319 ? 14.629 -30.572 31.054 1.00 29.29 ? 318 ASP A CA 1 ATOM 2619 C C . ASP A 1 319 ? 13.780 -31.515 31.925 1.00 27.39 ? 318 ASP A C 1 ATOM 2620 O O . ASP A 1 319 ? 14.273 -32.496 32.460 1.00 27.04 ? 318 ASP A O 1 ATOM 2621 C CB . ASP A 1 319 ? 14.719 -31.119 29.629 1.00 30.43 ? 318 ASP A CB 1 ATOM 2622 C CG . ASP A 1 319 ? 15.230 -30.095 28.620 1.00 33.67 ? 318 ASP A CG 1 ATOM 2623 O OD1 . ASP A 1 319 ? 15.075 -28.855 28.812 1.00 32.59 ? 318 ASP A OD1 1 ATOM 2624 O OD2 . ASP A 1 319 ? 15.780 -30.550 27.596 1.00 37.13 ? 318 ASP A OD2 1 ATOM 2625 N N . PRO A 1 320 ? 12.486 -31.229 32.043 1.00 24.54 ? 319 PRO A N 1 ATOM 2626 C CA . PRO A 1 320 ? 11.612 -32.102 32.819 1.00 24.22 ? 319 PRO A CA 1 ATOM 2627 C C . PRO A 1 320 ? 11.017 -33.268 32.028 1.00 25.77 ? 319 PRO A C 1 ATOM 2628 O O . PRO A 1 320 ? 11.030 -33.266 30.804 1.00 23.60 ? 319 PRO A O 1 ATOM 2629 C CB . PRO A 1 320 ? 10.485 -31.154 33.206 1.00 23.03 ? 319 PRO A CB 1 ATOM 2630 C CG . PRO A 1 320 ? 10.365 -30.250 32.025 1.00 22.66 ? 319 PRO A CG 1 ATOM 2631 C CD . PRO A 1 320 ? 11.768 -30.048 31.542 1.00 23.26 ? 319 PRO A CD 1 ATOM 2632 N N . LYS A 1 321 ? 10.452 -34.231 32.752 1.00 26.40 ? 320 LYS A N 1 ATOM 2633 C CA . LYS A 1 321 ? 9.521 -35.187 32.165 1.00 28.73 ? 320 LYS A CA 1 ATOM 2634 C C . LYS A 1 321 ? 8.183 -34.473 32.003 1.00 25.24 ? 320 LYS A C 1 ATOM 2635 O O . LYS A 1 321 ? 7.822 -33.667 32.838 1.00 23.60 ? 320 LYS A O 1 ATOM 2636 C CB . LYS A 1 321 ? 9.314 -36.395 33.089 1.00 33.09 ? 320 LYS A CB 1 ATOM 2637 C CG . LYS A 1 321 ? 10.584 -37.030 33.609 1.00 40.88 ? 320 LYS A CG 1 ATOM 2638 C CD . LYS A 1 321 ? 11.580 -37.313 32.510 1.00 46.89 ? 320 LYS A CD 1 ATOM 2639 C CE . LYS A 1 321 ? 12.895 -37.732 33.151 1.00 53.53 ? 320 LYS A CE 1 ATOM 2640 N NZ . LYS A 1 321 ? 13.863 -38.077 32.086 1.00 57.49 ? 320 LYS A NZ 1 ATOM 2641 N N . ILE A 1 322 ? 7.429 -34.827 30.976 1.00 24.01 ? 321 ILE A N 1 ATOM 2642 C CA . ILE A 1 322 ? 6.192 -34.134 30.667 1.00 22.67 ? 321 ILE A CA 1 ATOM 2643 C C . ILE A 1 322 ? 4.989 -35.056 30.783 1.00 22.93 ? 321 ILE A C 1 ATOM 2644 O O . ILE A 1 322 ? 5.003 -36.215 30.323 1.00 22.57 ? 321 ILE A O 1 ATOM 2645 C CB . ILE A 1 322 ? 6.235 -33.544 29.253 1.00 22.30 ? 321 ILE A CB 1 ATOM 2646 C CG1 . ILE A 1 322 ? 7.450 -32.627 29.133 1.00 22.78 ? 321 ILE A CG1 1 ATOM 2647 C CG2 . ILE A 1 322 ? 4.959 -32.790 28.959 1.00 22.10 ? 321 ILE A CG2 1 ATOM 2648 C CD1 . ILE A 1 322 ? 7.634 -32.032 27.762 1.00 24.99 ? 321 ILE A CD1 1 ATOM 2649 N N . CYS A 1 323 ? 3.960 -34.538 31.443 1.00 22.25 ? 322 CYS A N 1 ATOM 2650 C CA A CYS A 1 323 ? 2.671 -35.191 31.501 0.50 22.32 ? 322 CYS A CA 1 ATOM 2651 C CA B CYS A 1 323 ? 2.656 -35.193 31.505 0.50 23.35 ? 322 CYS A CA 1 ATOM 2652 C C . CYS A 1 323 ? 1.730 -34.462 30.524 1.00 21.57 ? 322 CYS A C 1 ATOM 2653 O O . CYS A 1 323 ? 1.659 -33.234 30.531 1.00 20.41 ? 322 CYS A O 1 ATOM 2654 C CB A CYS A 1 323 ? 2.158 -35.106 32.927 0.50 23.02 ? 322 CYS A CB 1 ATOM 2655 C CB B CYS A 1 323 ? 2.103 -35.135 32.934 0.50 25.33 ? 322 CYS A CB 1 ATOM 2656 S SG A CYS A 1 323 ? 0.749 -36.141 33.215 0.50 25.08 ? 322 CYS A SG 1 ATOM 2657 S SG B CYS A 1 323 ? 2.576 -36.563 33.951 0.50 31.64 ? 322 CYS A SG 1 ATOM 2658 N N . PHE A 1 324 ? 1.014 -35.212 29.693 1.00 20.60 ? 323 PHE A N 1 ATOM 2659 C CA . PHE A 1 324 ? 0.211 -34.638 28.621 1.00 19.70 ? 323 PHE A CA 1 ATOM 2660 C C . PHE A 1 324 ? -1.271 -34.827 28.849 1.00 20.74 ? 323 PHE A C 1 ATOM 2661 O O . PHE A 1 324 ? -1.716 -35.883 29.309 1.00 20.10 ? 323 PHE A O 1 ATOM 2662 C CB . PHE A 1 324 ? 0.547 -35.296 27.259 1.00 20.40 ? 323 PHE A CB 1 ATOM 2663 C CG . PHE A 1 324 ? 1.925 -34.992 26.758 1.00 19.59 ? 323 PHE A CG 1 ATOM 2664 C CD1 . PHE A 1 324 ? 3.000 -35.759 27.152 1.00 20.42 ? 323 PHE A CD1 1 ATOM 2665 C CD2 . PHE A 1 324 ? 2.150 -33.920 25.910 1.00 19.42 ? 323 PHE A CD2 1 ATOM 2666 C CE1 . PHE A 1 324 ? 4.286 -35.481 26.695 1.00 20.14 ? 323 PHE A CE1 1 ATOM 2667 C CE2 . PHE A 1 324 ? 3.433 -33.619 25.460 1.00 19.61 ? 323 PHE A CE2 1 ATOM 2668 C CZ . PHE A 1 324 ? 4.503 -34.424 25.838 1.00 20.00 ? 323 PHE A CZ 1 ATOM 2669 N N . GLY A 1 325 ? -2.038 -33.809 28.480 1.00 20.37 ? 324 GLY A N 1 ATOM 2670 C CA . GLY A 1 325 ? -3.498 -33.910 28.434 1.00 21.60 ? 324 GLY A CA 1 ATOM 2671 C C . GLY A 1 325 ? -4.014 -33.618 27.036 1.00 22.31 ? 324 GLY A C 1 ATOM 2672 O O . GLY A 1 325 ? -3.263 -33.650 26.071 1.00 21.81 ? 324 GLY A O 1 ATOM 2673 N N . ASP A 1 326 ? -5.299 -33.296 26.933 1.00 22.45 ? 325 ASP A N 1 ATOM 2674 C CA . ASP A 1 326 ? -5.916 -33.055 25.630 1.00 23.29 ? 325 ASP A CA 1 ATOM 2675 C C . ASP A 1 326 ? -5.801 -31.585 25.254 1.00 21.85 ? 325 ASP A C 1 ATOM 2676 O O . ASP A 1 326 ? -5.588 -30.704 26.115 1.00 21.22 ? 325 ASP A O 1 ATOM 2677 C CB . ASP A 1 326 ? -7.386 -33.518 25.659 1.00 25.17 ? 325 ASP A CB 1 ATOM 2678 C CG . ASP A 1 326 ? -7.951 -33.847 24.271 1.00 27.44 ? 325 ASP A CG 1 ATOM 2679 O OD1 . ASP A 1 326 ? -7.317 -33.585 23.229 1.00 27.39 ? 325 ASP A OD1 1 ATOM 2680 O OD2 . ASP A 1 326 ? -9.085 -34.361 24.239 1.00 29.01 ? 325 ASP A OD2 1 ATOM 2681 N N . GLY A 1 327 ? -5.948 -31.311 23.963 1.00 21.94 ? 326 GLY A N 1 ATOM 2682 C CA . GLY A 1 327 ? -5.831 -29.940 23.409 1.00 20.40 ? 326 GLY A CA 1 ATOM 2683 C C . GLY A 1 327 ? -5.307 -30.014 21.990 1.00 20.31 ? 326 GLY A C 1 ATOM 2684 O O . GLY A 1 327 ? -5.503 -31.018 21.281 1.00 19.94 ? 326 GLY A O 1 ATOM 2685 N N . ASP A 1 328 ? -4.632 -28.954 21.569 1.00 19.19 ? 327 ASP A N 1 ATOM 2686 C CA . ASP A 1 328 ? -4.129 -28.840 20.185 1.00 19.64 ? 327 ASP A CA 1 ATOM 2687 C C . ASP A 1 328 ? -2.595 -28.917 20.080 1.00 19.13 ? 327 ASP A C 1 ATOM 2688 O O . ASP A 1 328 ? -2.043 -28.616 19.021 1.00 19.88 ? 327 ASP A O 1 ATOM 2689 C CB . ASP A 1 328 ? -4.652 -27.558 19.510 1.00 19.69 ? 327 ASP A CB 1 ATOM 2690 C CG . ASP A 1 328 ? -4.016 -26.284 20.060 1.00 19.88 ? 327 ASP A CG 1 ATOM 2691 O OD1 . ASP A 1 328 ? -3.053 -26.363 20.860 1.00 20.41 ? 327 ASP A OD1 1 ATOM 2692 O OD2 . ASP A 1 328 ? -4.490 -25.163 19.685 1.00 21.74 ? 327 ASP A OD2 1 ATOM 2693 N N . GLY A 1 329 ? -1.931 -29.368 21.141 1.00 19.31 ? 328 GLY A N 1 ATOM 2694 C CA . GLY A 1 329 ? -0.483 -29.430 21.202 1.00 19.50 ? 328 GLY A CA 1 ATOM 2695 C C . GLY A 1 329 ? 0.126 -28.319 22.024 1.00 19.62 ? 328 GLY A C 1 ATOM 2696 O O . GLY A 1 329 ? 1.205 -28.476 22.575 1.00 20.73 ? 328 GLY A O 1 ATOM 2697 N N . THR A 1 330 ? -0.579 -27.195 22.137 1.00 19.58 ? 329 THR A N 1 ATOM 2698 C CA . THR A 1 330 ? -0.093 -26.012 22.839 1.00 20.62 ? 329 THR A CA 1 ATOM 2699 C C . THR A 1 330 ? -1.144 -25.525 23.834 1.00 19.30 ? 329 THR A C 1 ATOM 2700 O O . THR A 1 330 ? -0.868 -25.386 25.010 1.00 19.42 ? 329 THR A O 1 ATOM 2701 C CB . THR A 1 330 ? 0.219 -24.881 21.821 1.00 21.83 ? 329 THR A CB 1 ATOM 2702 O OG1 . THR A 1 330 ? 1.264 -25.329 20.950 1.00 23.28 ? 329 THR A OG1 1 ATOM 2703 C CG2 . THR A 1 330 ? 0.644 -23.599 22.522 1.00 22.98 ? 329 THR A CG2 1 ATOM 2704 N N . VAL A 1 331 ? -2.358 -25.296 23.344 1.00 18.94 ? 330 VAL A N 1 ATOM 2705 C CA . VAL A 1 331 ? -3.470 -24.847 24.172 1.00 19.18 ? 330 VAL A CA 1 ATOM 2706 C C . VAL A 1 331 ? -4.211 -26.040 24.774 1.00 19.46 ? 330 VAL A C 1 ATOM 2707 O O . VAL A 1 331 ? -4.693 -26.907 24.065 1.00 19.59 ? 330 VAL A O 1 ATOM 2708 C CB . VAL A 1 331 ? -4.443 -24.007 23.330 1.00 19.63 ? 330 VAL A CB 1 ATOM 2709 C CG1 . VAL A 1 331 ? -5.666 -23.609 24.126 1.00 20.89 ? 330 VAL A CG1 1 ATOM 2710 C CG2 . VAL A 1 331 ? -3.712 -22.789 22.788 1.00 19.41 ? 330 VAL A CG2 1 ATOM 2711 N N . ASN A 1 332 ? -4.281 -26.055 26.099 1.00 19.22 ? 331 ASN A N 1 ATOM 2712 C CA . ASN A 1 332 ? -4.941 -27.113 26.822 1.00 20.10 ? 331 ASN A CA 1 ATOM 2713 C C . ASN A 1 332 ? -6.447 -27.015 26.526 1.00 20.55 ? 331 ASN A C 1 ATOM 2714 O O . ASN A 1 332 ? -6.995 -25.910 26.417 1.00 20.03 ? 331 ASN A O 1 ATOM 2715 C CB . ASN A 1 332 ? -4.643 -26.965 28.321 1.00 19.98 ? 331 ASN A CB 1 ATOM 2716 C CG . ASN A 1 332 ? -3.153 -27.006 28.626 1.00 19.00 ? 331 ASN A CG 1 ATOM 2717 O OD1 . ASN A 1 332 ? -2.472 -25.978 28.659 1.00 18.41 ? 331 ASN A OD1 1 ATOM 2718 N ND2 . ASN A 1 332 ? -2.637 -28.190 28.805 1.00 19.63 ? 331 ASN A ND2 1 ATOM 2719 N N . LEU A 1 333 ? -7.090 -28.154 26.403 1.00 21.01 ? 332 LEU A N 1 ATOM 2720 C CA . LEU A 1 333 ? -8.521 -28.201 26.123 1.00 23.42 ? 332 LEU A CA 1 ATOM 2721 C C . LEU A 1 333 ? -9.353 -27.351 27.083 1.00 24.43 ? 332 LEU A C 1 ATOM 2722 O O . LEU A 1 333 ? -10.325 -26.691 26.673 1.00 25.83 ? 332 LEU A O 1 ATOM 2723 C CB . LEU A 1 333 ? -9.030 -29.639 26.166 1.00 24.43 ? 332 LEU A CB 1 ATOM 2724 C CG . LEU A 1 333 ? -10.506 -29.831 25.851 1.00 26.48 ? 332 LEU A CG 1 ATOM 2725 C CD1 . LEU A 1 333 ? -10.871 -29.199 24.516 1.00 27.12 ? 332 LEU A CD1 1 ATOM 2726 C CD2 . LEU A 1 333 ? -10.823 -31.322 25.868 1.00 28.32 ? 332 LEU A CD2 1 ATOM 2727 N N . LYS A 1 334 ? -8.998 -27.334 28.353 1.00 24.79 ? 333 LYS A N 1 ATOM 2728 C CA . LYS A 1 334 ? -9.833 -26.547 29.253 1.00 28.11 ? 333 LYS A CA 1 ATOM 2729 C C . LYS A 1 334 ? -9.875 -25.046 29.004 1.00 26.03 ? 333 LYS A C 1 ATOM 2730 O O . LYS A 1 334 ? -10.778 -24.416 29.432 1.00 25.66 ? 333 LYS A O 1 ATOM 2731 C CB . LYS A 1 334 ? -9.529 -26.775 30.681 1.00 31.28 ? 333 LYS A CB 1 ATOM 2732 C CG . LYS A 1 334 ? -8.104 -26.532 31.086 1.00 32.98 ? 333 LYS A CG 1 ATOM 2733 C CD . LYS A 1 334 ? -8.007 -26.838 32.569 1.00 38.92 ? 333 LYS A CD 1 ATOM 2734 C CE . LYS A 1 334 ? -7.919 -28.332 32.824 1.00 40.88 ? 333 LYS A CE 1 ATOM 2735 N NZ . LYS A 1 334 ? -8.761 -28.676 33.999 1.00 47.61 ? 333 LYS A NZ 1 ATOM 2736 N N A SER A 1 335 ? -9.036 -24.520 28.134 0.80 26.42 ? 334 SER A N 1 ATOM 2737 N N B SER A 1 335 ? -8.802 -24.503 28.433 0.20 24.06 ? 334 SER A N 1 ATOM 2738 C CA A SER A 1 335 ? -9.353 -23.172 27.569 0.80 25.64 ? 334 SER A CA 1 ATOM 2739 C CA B SER A 1 335 ? -8.508 -23.082 28.474 0.20 22.58 ? 334 SER A CA 1 ATOM 2740 C C A SER A 1 335 ? -10.784 -23.029 26.916 0.80 26.52 ? 334 SER A C 1 ATOM 2741 C C B SER A 1 335 ? -9.119 -22.549 27.196 0.20 21.62 ? 334 SER A C 1 ATOM 2742 O O A SER A 1 335 ? -11.425 -21.982 27.062 0.80 25.99 ? 334 SER A O 1 ATOM 2743 O O B SER A 1 335 ? -9.377 -21.361 27.066 0.20 21.31 ? 334 SER A O 1 ATOM 2744 C CB A SER A 1 335 ? -8.256 -22.728 26.621 0.80 25.24 ? 334 SER A CB 1 ATOM 2745 C CB B SER A 1 335 ? -6.993 -22.867 28.613 0.20 21.80 ? 334 SER A CB 1 ATOM 2746 O OG A SER A 1 335 ? -7.047 -22.474 27.337 0.80 25.06 ? 334 SER A OG 1 ATOM 2747 O OG B SER A 1 335 ? -6.550 -21.635 28.073 0.20 20.54 ? 334 SER A OG 1 ATOM 2748 N N A ALA A 1 336 ? -11.275 -24.053 26.210 0.80 24.77 ? 335 ALA A N 1 ATOM 2749 N N B ALA A 1 336 ? -9.428 -23.484 26.296 0.20 21.48 ? 335 ALA A N 1 ATOM 2750 C CA A ALA A 1 336 ? -12.598 -23.981 25.572 0.80 28.53 ? 335 ALA A CA 1 ATOM 2751 C CA B ALA A 1 336 ? -10.232 -23.210 25.100 0.20 21.26 ? 335 ALA A CA 1 ATOM 2752 C C A ALA A 1 336 ? -13.772 -23.758 26.531 0.80 30.35 ? 335 ALA A C 1 ATOM 2753 C C B ALA A 1 336 ? -11.685 -23.009 25.502 0.20 21.39 ? 335 ALA A C 1 ATOM 2754 O O A ALA A 1 336 ? -14.819 -23.253 26.124 0.80 33.13 ? 335 ALA A O 1 ATOM 2755 O O B ALA A 1 336 ? -12.382 -22.200 24.888 0.20 21.11 ? 335 ALA A O 1 ATOM 2756 C CB A ALA A 1 336 ? -12.857 -25.224 24.733 0.80 29.44 ? 335 ALA A CB 1 ATOM 2757 C CB B ALA A 1 336 ? -10.143 -24.345 24.071 0.20 21.70 ? 335 ALA A CB 1 ATOM 2758 N N A LEU A 1 337 ? -13.619 -24.136 27.793 0.80 31.39 ? 336 LEU A N 1 ATOM 2759 N N B LEU A 1 337 ? -12.145 -23.737 26.526 0.20 21.58 ? 336 LEU A N 1 ATOM 2760 C CA A LEU A 1 337 ? -14.704 -23.957 28.768 0.80 34.44 ? 336 LEU A CA 1 ATOM 2761 C CA B LEU A 1 337 ? -13.592 -23.798 26.845 0.20 22.04 ? 336 LEU A CA 1 ATOM 2762 C C A LEU A 1 337 ? -14.967 -22.472 28.988 0.80 32.40 ? 336 LEU A C 1 ATOM 2763 C C B LEU A 1 337 ? -14.253 -22.648 27.636 0.20 21.87 ? 336 LEU A C 1 ATOM 2764 O O A LEU A 1 337 ? -16.084 -22.092 29.348 0.80 29.13 ? 336 LEU A O 1 ATOM 2765 O O B LEU A 1 337 ? -15.475 -22.663 27.802 0.20 22.27 ? 336 LEU A O 1 ATOM 2766 C CB A LEU A 1 337 ? -14.392 -24.628 30.106 0.80 36.96 ? 336 LEU A CB 1 ATOM 2767 C CB B LEU A 1 337 ? -13.875 -25.139 27.528 0.20 22.70 ? 336 LEU A CB 1 ATOM 2768 C CG A LEU A 1 337 ? -14.500 -26.163 30.137 0.80 39.86 ? 336 LEU A CG 1 ATOM 2769 C CG B LEU A 1 337 ? -13.513 -26.332 26.644 0.20 22.86 ? 336 LEU A CG 1 ATOM 2770 C CD1 A LEU A 1 337 ? -13.926 -26.722 31.429 0.80 40.00 ? 336 LEU A CD1 1 ATOM 2771 C CD1 B LEU A 1 337 ? -13.964 -27.659 27.248 0.20 23.54 ? 336 LEU A CD1 1 ATOM 2772 C CD2 A LEU A 1 337 ? -15.941 -26.621 29.949 0.80 41.39 ? 336 LEU A CD2 1 ATOM 2773 C CD2 B LEU A 1 337 ? -14.098 -26.170 25.249 0.20 23.20 ? 336 LEU A CD2 1 ATOM 2774 N N A GLN A 1 338 ? -13.947 -21.645 28.735 0.80 31.28 ? 337 GLN A N 1 ATOM 2775 N N B GLN A 1 338 ? -13.477 -21.662 28.093 0.20 20.98 ? 337 GLN A N 1 ATOM 2776 C CA A GLN A 1 338 ? -14.137 -20.223 28.837 0.80 32.48 ? 337 GLN A CA 1 ATOM 2777 C CA B GLN A 1 338 ? -14.005 -20.388 28.650 0.20 21.15 ? 337 GLN A CA 1 ATOM 2778 C C A GLN A 1 338 ? -15.159 -19.748 27.824 0.80 31.45 ? 337 GLN A C 1 ATOM 2779 C C B GLN A 1 338 ? -15.110 -19.814 27.753 0.20 22.24 ? 337 GLN A C 1 ATOM 2780 O O A GLN A 1 338 ? -16.077 -19.028 28.177 0.80 29.99 ? 337 GLN A O 1 ATOM 2781 O O B GLN A 1 338 ? -16.022 -19.065 28.196 0.20 22.34 ? 337 GLN A O 1 ATOM 2782 C CB A GLN A 1 338 ? -12.825 -19.451 28.724 0.80 34.92 ? 337 GLN A CB 1 ATOM 2783 C CB B GLN A 1 338 ? -12.801 -19.438 28.736 0.20 20.11 ? 337 GLN A CB 1 ATOM 2784 C CG A GLN A 1 338 ? -13.053 -17.969 29.009 0.80 39.13 ? 337 GLN A CG 1 ATOM 2785 C CG B GLN A 1 338 ? -13.007 -17.940 28.948 0.20 19.61 ? 337 GLN A CG 1 ATOM 2786 C CD A GLN A 1 338 ? -13.695 -17.823 30.432 0.80 43.17 ? 337 GLN A CD 1 ATOM 2787 C CD B GLN A 1 338 ? -13.222 -17.505 30.389 0.20 19.19 ? 337 GLN A CD 1 ATOM 2788 O OE1 A GLN A 1 338 ? -13.287 -18.531 31.331 0.80 45.15 ? 337 GLN A OE1 1 ATOM 2789 O OE1 B GLN A 1 338 ? -13.345 -18.332 31.282 0.20 19.51 ? 337 GLN A OE1 1 ATOM 2790 N NE2 A GLN A 1 338 ? -14.787 -17.046 30.596 0.80 48.64 ? 337 GLN A NE2 1 ATOM 2791 N NE2 B GLN A 1 338 ? -13.261 -16.193 30.617 0.20 18.55 ? 337 GLN A NE2 1 ATOM 2792 N N A CYS A 1 339 ? -15.038 -20.136 26.562 0.80 30.39 ? 338 CYS A N 1 ATOM 2793 N N B CYS A 1 339 ? -15.043 -20.162 26.474 0.20 23.22 ? 338 CYS A N 1 ATOM 2794 C CA A CYS A 1 339 ? -16.091 -19.729 25.643 0.80 32.03 ? 338 CYS A CA 1 ATOM 2795 C CA B CYS A 1 339 ? -16.099 -19.737 25.583 0.20 24.75 ? 338 CYS A CA 1 ATOM 2796 C C A CYS A 1 339 ? -17.421 -20.223 26.034 0.80 32.00 ? 338 CYS A C 1 ATOM 2797 C C B CYS A 1 339 ? -17.420 -20.213 26.042 0.20 27.70 ? 338 CYS A C 1 ATOM 2798 O O A CYS A 1 339 ? -18.393 -19.543 25.800 0.80 32.42 ? 338 CYS A O 1 ATOM 2799 O O B CYS A 1 339 ? -18.395 -19.537 25.805 0.20 28.28 ? 338 CYS A O 1 ATOM 2800 C CB A CYS A 1 339 ? -15.916 -20.268 24.251 0.80 35.51 ? 338 CYS A CB 1 ATOM 2801 C CB B CYS A 1 339 ? -16.054 -20.383 24.208 0.20 24.60 ? 338 CYS A CB 1 ATOM 2802 S SG A CYS A 1 339 ? -14.347 -19.982 23.583 0.80 35.51 ? 338 CYS A SG 1 ATOM 2803 S SG B CYS A 1 339 ? -14.620 -21.336 23.738 0.20 22.23 ? 338 CYS A SG 1 ATOM 2804 N N . GLN A 1 340 ? -17.471 -21.441 26.551 1.00 31.12 ? 339 GLN A N 1 ATOM 2805 C CA . GLN A 1 340 ? -18.735 -22.018 26.959 1.00 33.67 ? 339 GLN A CA 1 ATOM 2806 C C . GLN A 1 340 ? -19.367 -21.177 28.066 1.00 32.03 ? 339 GLN A C 1 ATOM 2807 O O . GLN A 1 340 ? -20.562 -20.923 28.034 1.00 31.40 ? 339 GLN A O 1 ATOM 2808 C CB . GLN A 1 340 ? -18.545 -23.454 27.395 1.00 38.38 ? 339 GLN A CB 1 ATOM 2809 C CG . GLN A 1 340 ? -19.837 -24.124 27.783 1.00 44.85 ? 339 GLN A CG 1 ATOM 2810 C CD . GLN A 1 340 ? -19.600 -25.552 28.228 1.00 52.43 ? 339 GLN A CD 1 ATOM 2811 O OE1 . GLN A 1 340 ? -18.849 -25.803 29.178 1.00 58.58 ? 339 GLN A OE1 1 ATOM 2812 N NE2 . GLN A 1 340 ? -20.224 -26.497 27.539 1.00 57.00 ? 339 GLN A NE2 1 ATOM 2813 N N . ALA A 1 341 ? -18.549 -20.683 28.990 1.00 29.36 ? 340 ALA A N 1 ATOM 2814 C CA . ALA A 1 341 ? -19.030 -19.808 30.070 1.00 29.74 ? 340 ALA A CA 1 ATOM 2815 C C . ALA A 1 341 ? -19.609 -18.493 29.540 1.00 29.29 ? 340 ALA A C 1 ATOM 2816 O O . ALA A 1 341 ? -20.556 -17.954 30.101 1.00 28.65 ? 340 ALA A O 1 ATOM 2817 C CB . ALA A 1 341 ? -17.912 -19.521 31.063 1.00 29.51 ? 340 ALA A CB 1 ATOM 2818 N N . TRP A 1 342 ? -19.071 -17.995 28.430 1.00 26.93 ? 341 TRP A N 1 ATOM 2819 C CA . TRP A 1 342 ? -19.558 -16.746 27.864 1.00 26.67 ? 341 TRP A CA 1 ATOM 2820 C C . TRP A 1 342 ? -20.954 -16.829 27.235 1.00 28.39 ? 341 TRP A C 1 ATOM 2821 O O . TRP A 1 342 ? -21.643 -15.826 27.167 1.00 27.02 ? 341 TRP A O 1 ATOM 2822 C CB . TRP A 1 342 ? -18.572 -16.206 26.836 1.00 25.29 ? 341 TRP A CB 1 ATOM 2823 C CG . TRP A 1 342 ? -17.283 -15.712 27.419 1.00 25.06 ? 341 TRP A CG 1 ATOM 2824 C CD1 . TRP A 1 342 ? -17.052 -15.204 28.685 1.00 24.56 ? 341 TRP A CD1 1 ATOM 2825 C CD2 . TRP A 1 342 ? -16.037 -15.633 26.727 1.00 23.19 ? 341 TRP A CD2 1 ATOM 2826 N NE1 . TRP A 1 342 ? -15.729 -14.829 28.806 1.00 24.88 ? 341 TRP A NE1 1 ATOM 2827 C CE2 . TRP A 1 342 ? -15.094 -15.083 27.613 1.00 24.00 ? 341 TRP A CE2 1 ATOM 2828 C CE3 . TRP A 1 342 ? -15.636 -15.972 25.440 1.00 24.29 ? 341 TRP A CE3 1 ATOM 2829 C CZ2 . TRP A 1 342 ? -13.760 -14.879 27.250 1.00 23.55 ? 341 TRP A CZ2 1 ATOM 2830 C CZ3 . TRP A 1 342 ? -14.310 -15.763 25.078 1.00 22.73 ? 341 TRP A CZ3 1 ATOM 2831 C CH2 . TRP A 1 342 ? -13.394 -15.231 25.981 1.00 23.36 ? 341 TRP A CH2 1 ATOM 2832 N N . GLN A 1 343 ? -21.371 -18.014 26.810 1.00 31.08 ? 342 GLN A N 1 ATOM 2833 C CA . GLN A 1 343 ? -22.698 -18.208 26.239 1.00 35.95 ? 342 GLN A CA 1 ATOM 2834 C C . GLN A 1 343 ? -23.830 -17.630 27.093 1.00 36.54 ? 342 GLN A C 1 ATOM 2835 O O . GLN A 1 343 ? -24.754 -17.022 26.558 1.00 38.66 ? 342 GLN A O 1 ATOM 2836 C CB . GLN A 1 343 ? -22.992 -19.689 26.028 1.00 40.65 ? 342 GLN A CB 1 ATOM 2837 C CG . GLN A 1 343 ? -22.138 -20.345 24.970 1.00 42.48 ? 342 GLN A CG 1 ATOM 2838 C CD . GLN A 1 343 ? -22.594 -21.765 24.675 1.00 46.96 ? 342 GLN A CD 1 ATOM 2839 O OE1 . GLN A 1 343 ? -22.688 -22.600 25.583 1.00 53.12 ? 342 GLN A OE1 1 ATOM 2840 N NE2 . GLN A 1 343 ? -22.867 -22.052 23.407 1.00 47.16 ? 342 GLN A NE2 1 ATOM 2841 N N . SER A 1 344 ? -23.753 -17.794 28.408 1.00 34.61 ? 343 SER A N 1 ATOM 2842 C CA . SER A 1 344 ? -24.816 -17.311 29.281 1.00 37.82 ? 343 SER A CA 1 ATOM 2843 C C . SER A 1 344 ? -24.586 -15.881 29.774 1.00 36.90 ? 343 SER A C 1 ATOM 2844 O O . SER A 1 344 ? -25.461 -15.316 30.432 1.00 36.73 ? 343 SER A O 1 ATOM 2845 C CB . SER A 1 344 ? -25.007 -18.261 30.470 1.00 39.39 ? 343 SER A CB 1 ATOM 2846 O OG . SER A 1 344 ? -23.874 -18.227 31.312 1.00 41.56 ? 343 SER A OG 1 ATOM 2847 N N . ARG A 1 345 ? -23.454 -15.274 29.420 1.00 32.68 ? 344 ARG A N 1 ATOM 2848 C CA . ARG A 1 345 ? -23.108 -13.928 29.882 1.00 32.39 ? 344 ARG A CA 1 ATOM 2849 C C . ARG A 1 345 ? -23.214 -12.830 28.821 1.00 32.42 ? 344 ARG A C 1 ATOM 2850 O O . ARG A 1 345 ? -23.023 -11.645 29.135 1.00 33.51 ? 344 ARG A O 1 ATOM 2851 C CB . ARG A 1 345 ? -21.678 -13.920 30.421 1.00 33.32 ? 344 ARG A CB 1 ATOM 2852 C CG . ARG A 1 345 ? -21.518 -14.703 31.709 1.00 35.42 ? 344 ARG A CG 1 ATOM 2853 C CD . ARG A 1 345 ? -20.060 -14.728 32.118 1.00 37.68 ? 344 ARG A CD 1 ATOM 2854 N NE . ARG A 1 345 ? -19.805 -15.789 33.078 1.00 38.60 ? 344 ARG A NE 1 ATOM 2855 C CZ . ARG A 1 345 ? -18.632 -16.400 33.246 1.00 41.78 ? 344 ARG A CZ 1 ATOM 2856 N NH1 . ARG A 1 345 ? -17.556 -16.077 32.508 1.00 40.08 ? 344 ARG A NH1 1 ATOM 2857 N NH2 . ARG A 1 345 ? -18.533 -17.362 34.157 1.00 41.95 ? 344 ARG A NH2 1 ATOM 2858 N N . GLN A 1 346 ? -23.478 -13.187 27.567 1.00 29.60 ? 345 GLN A N 1 ATOM 2859 C CA . GLN A 1 346 ? -23.679 -12.158 26.542 1.00 28.24 ? 345 GLN A CA 1 ATOM 2860 C C . GLN A 1 346 ? -24.880 -12.534 25.692 1.00 28.58 ? 345 GLN A C 1 ATOM 2861 O O . GLN A 1 346 ? -25.255 -13.705 25.637 1.00 28.91 ? 345 GLN A O 1 ATOM 2862 C CB . GLN A 1 346 ? -22.411 -11.934 25.693 1.00 27.02 ? 345 GLN A CB 1 ATOM 2863 C CG . GLN A 1 346 ? -21.941 -13.134 24.899 1.00 25.97 ? 345 GLN A CG 1 ATOM 2864 C CD . GLN A 1 346 ? -20.857 -12.793 23.875 1.00 24.75 ? 345 GLN A CD 1 ATOM 2865 O OE1 . GLN A 1 346 ? -19.870 -12.149 24.191 1.00 24.04 ? 345 GLN A OE1 1 ATOM 2866 N NE2 . GLN A 1 346 ? -21.065 -13.204 22.644 1.00 23.85 ? 345 GLN A NE2 1 ATOM 2867 N N . GLU A 1 347 ? -25.521 -11.522 25.115 1.00 29.52 ? 346 GLU A N 1 ATOM 2868 C CA . GLU A 1 347 ? -26.674 -11.687 24.222 1.00 30.48 ? 346 GLU A CA 1 ATOM 2869 C C . GLU A 1 347 ? -26.242 -12.159 22.831 1.00 28.95 ? 346 GLU A C 1 ATOM 2870 O O . GLU A 1 347 ? -26.928 -12.955 22.205 1.00 27.85 ? 346 GLU A O 1 ATOM 2871 C CB . GLU A 1 347 ? -27.434 -10.345 24.142 1.00 33.54 ? 346 GLU A CB 1 ATOM 2872 C CG . GLU A 1 347 ? -28.566 -10.231 23.135 1.00 37.84 ? 346 GLU A CG 1 ATOM 2873 C CD . GLU A 1 347 ? -29.440 -8.978 23.333 1.00 43.98 ? 346 GLU A CD 1 ATOM 2874 O OE1 . GLU A 1 347 ? -29.471 -8.409 24.453 1.00 46.86 ? 346 GLU A OE1 1 ATOM 2875 O OE2 . GLU A 1 347 ? -30.115 -8.560 22.359 1.00 45.65 ? 346 GLU A OE2 1 ATOM 2876 N N . HIS A 1 348 ? -25.107 -11.666 22.325 1.00 26.57 ? 347 HIS A N 1 ATOM 2877 C CA A HIS A 1 348 ? -24.604 -12.114 21.024 0.70 26.22 ? 347 HIS A CA 1 ATOM 2878 C CA B HIS A 1 348 ? -24.607 -12.142 21.036 0.30 26.30 ? 347 HIS A CA 1 ATOM 2879 C C . HIS A 1 348 ? -24.301 -13.628 21.100 1.00 26.08 ? 347 HIS A C 1 ATOM 2880 O O . HIS A 1 348 ? -23.842 -14.141 22.129 1.00 25.28 ? 347 HIS A O 1 ATOM 2881 C CB A HIS A 1 348 ? -23.305 -11.390 20.616 0.70 25.41 ? 347 HIS A CB 1 ATOM 2882 C CB B HIS A 1 348 ? -23.349 -11.396 20.616 0.30 25.43 ? 347 HIS A CB 1 ATOM 2883 C CG A HIS A 1 348 ? -23.447 -10.031 20.003 0.70 25.61 ? 347 HIS A CG 1 ATOM 2884 C CG B HIS A 1 348 ? -23.619 -10.092 19.958 0.30 25.62 ? 347 HIS A CG 1 ATOM 2885 N ND1 A HIS A 1 348 ? -23.093 -8.860 20.655 0.70 26.36 ? 347 HIS A ND1 1 ATOM 2886 N ND1 B HIS A 1 348 ? -23.873 -9.990 18.608 0.30 25.77 ? 347 HIS A ND1 1 ATOM 2887 C CD2 A HIS A 1 348 ? -23.776 -9.668 18.743 0.70 26.15 ? 347 HIS A CD2 1 ATOM 2888 C CD2 B HIS A 1 348 ? -23.683 -8.836 20.453 0.30 26.02 ? 347 HIS A CD2 1 ATOM 2889 C CE1 A HIS A 1 348 ? -23.257 -7.837 19.833 0.70 25.77 ? 347 HIS A CE1 1 ATOM 2890 C CE1 B HIS A 1 348 ? -24.080 -8.724 18.299 0.30 26.23 ? 347 HIS A CE1 1 ATOM 2891 N NE2 A HIS A 1 348 ? -23.672 -8.298 18.668 0.70 26.61 ? 347 HIS A NE2 1 ATOM 2892 N NE2 B HIS A 1 348 ? -23.968 -8.005 19.400 0.30 26.10 ? 347 HIS A NE2 1 ATOM 2893 N N . GLN A 1 349 ? -24.531 -14.326 19.995 1.00 26.98 ? 348 GLN A N 1 ATOM 2894 C CA . GLN A 1 349 ? -24.290 -15.762 19.951 1.00 29.22 ? 348 GLN A CA 1 ATOM 2895 C C . GLN A 1 349 ? -22.823 -16.130 20.149 1.00 26.60 ? 348 GLN A C 1 ATOM 2896 O O . GLN A 1 349 ? -21.915 -15.421 19.687 1.00 24.79 ? 348 GLN A O 1 ATOM 2897 C CB . GLN A 1 349 ? -24.677 -16.350 18.605 1.00 33.06 ? 348 GLN A CB 1 ATOM 2898 C CG . GLN A 1 349 ? -26.110 -16.208 18.204 1.00 40.43 ? 348 GLN A CG 1 ATOM 2899 C CD . GLN A 1 349 ? -26.321 -16.818 16.835 1.00 46.27 ? 348 GLN A CD 1 ATOM 2900 O OE1 . GLN A 1 349 ? -26.190 -18.038 16.663 1.00 49.97 ? 348 GLN A OE1 1 ATOM 2901 N NE2 . GLN A 1 349 ? -26.594 -15.973 15.843 1.00 48.22 ? 348 GLN A NE2 1 ATOM 2902 N N . VAL A 1 350 ? -22.606 -17.258 20.819 1.00 26.05 ? 349 VAL A N 1 ATOM 2903 C CA . VAL A 1 350 ? -21.288 -17.889 20.932 1.00 25.57 ? 349 VAL A CA 1 ATOM 2904 C C . VAL A 1 350 ? -21.408 -19.284 20.315 1.00 27.16 ? 349 VAL A C 1 ATOM 2905 O O . VAL A 1 350 ? -22.184 -20.118 20.814 1.00 28.12 ? 349 VAL A O 1 ATOM 2906 C CB . VAL A 1 350 ? -20.825 -18.011 22.390 1.00 25.57 ? 349 VAL A CB 1 ATOM 2907 C CG1 . VAL A 1 350 ? -19.480 -18.741 22.491 1.00 25.10 ? 349 VAL A CG1 1 ATOM 2908 C CG2 . VAL A 1 350 ? -20.739 -16.641 23.063 1.00 25.75 ? 349 VAL A CG2 1 ATOM 2909 N N A LEU A 1 351 ? -20.674 -19.538 19.236 0.50 26.39 ? 350 LEU A N 1 ATOM 2910 N N B LEU A 1 351 ? -20.674 -19.536 19.238 0.50 26.38 ? 350 LEU A N 1 ATOM 2911 C CA A LEU A 1 351 ? -20.679 -20.849 18.582 0.50 27.70 ? 350 LEU A CA 1 ATOM 2912 C CA B LEU A 1 351 ? -20.683 -20.841 18.578 0.50 27.67 ? 350 LEU A CA 1 ATOM 2913 C C A LEU A 1 351 ? -19.364 -21.550 18.870 0.50 27.76 ? 350 LEU A C 1 ATOM 2914 C C B LEU A 1 351 ? -19.366 -21.550 18.864 0.50 27.75 ? 350 LEU A C 1 ATOM 2915 O O A LEU A 1 351 ? -18.295 -20.977 18.652 0.50 27.51 ? 350 LEU A O 1 ATOM 2916 O O B LEU A 1 351 ? -18.295 -20.977 18.651 0.50 27.50 ? 350 LEU A O 1 ATOM 2917 C CB A LEU A 1 351 ? -20.838 -20.701 17.074 0.50 28.72 ? 350 LEU A CB 1 ATOM 2918 C CB B LEU A 1 351 ? -20.864 -20.666 17.073 0.50 28.75 ? 350 LEU A CB 1 ATOM 2919 C CG A LEU A 1 351 ? -22.044 -19.937 16.529 0.50 29.96 ? 350 LEU A CG 1 ATOM 2920 C CG B LEU A 1 351 ? -22.091 -19.855 16.577 0.50 30.00 ? 350 LEU A CG 1 ATOM 2921 C CD1 A LEU A 1 351 ? -23.318 -20.358 17.234 0.50 30.70 ? 350 LEU A CD1 1 ATOM 2922 C CD1 B LEU A 1 351 ? -21.813 -18.354 16.578 0.50 30.38 ? 350 LEU A CD1 1 ATOM 2923 C CD2 A LEU A 1 351 ? -21.789 -18.448 16.676 0.50 30.35 ? 350 LEU A CD2 1 ATOM 2924 C CD2 B LEU A 1 351 ? -22.539 -20.272 15.180 0.50 30.56 ? 350 LEU A CD2 1 ATOM 2925 N N . LEU A 1 352 ? -19.435 -22.775 19.377 1.00 28.07 ? 351 LEU A N 1 ATOM 2926 C CA . LEU A 1 352 ? -18.241 -23.568 19.647 1.00 28.88 ? 351 LEU A CA 1 ATOM 2927 C C . LEU A 1 352 ? -18.030 -24.543 18.510 1.00 29.07 ? 351 LEU A C 1 ATOM 2928 O O . LEU A 1 352 ? -18.980 -25.176 18.060 1.00 31.05 ? 351 LEU A O 1 ATOM 2929 C CB . LEU A 1 352 ? -18.356 -24.307 20.979 1.00 32.57 ? 351 LEU A CB 1 ATOM 2930 C CG . LEU A 1 352 ? -17.685 -23.545 22.143 1.00 34.94 ? 351 LEU A CG 1 ATOM 2931 C CD1 . LEU A 1 352 ? -18.496 -22.313 22.510 1.00 35.64 ? 351 LEU A CD1 1 ATOM 2932 C CD2 . LEU A 1 352 ? -17.508 -24.453 23.347 1.00 37.04 ? 351 LEU A CD2 1 ATOM 2933 N N . GLN A 1 353 ? -16.805 -24.651 18.020 1.00 26.32 ? 352 GLN A N 1 ATOM 2934 C CA . GLN A 1 353 ? -16.502 -25.614 16.984 1.00 27.80 ? 352 GLN A CA 1 ATOM 2935 C C . GLN A 1 353 ? -15.235 -26.389 17.303 1.00 26.92 ? 352 GLN A C 1 ATOM 2936 O O . GLN A 1 353 ? -14.115 -25.847 17.237 1.00 24.68 ? 352 GLN A O 1 ATOM 2937 C CB . GLN A 1 353 ? -16.363 -24.924 15.618 1.00 28.80 ? 352 GLN A CB 1 ATOM 2938 C CG . GLN A 1 353 ? -16.001 -25.887 14.498 1.00 29.68 ? 352 GLN A CG 1 ATOM 2939 C CD . GLN A 1 353 ? -17.092 -26.906 14.269 1.00 31.89 ? 352 GLN A CD 1 ATOM 2940 O OE1 . GLN A 1 353 ? -18.191 -26.535 13.882 1.00 33.70 ? 352 GLN A OE1 1 ATOM 2941 N NE2 . GLN A 1 353 ? -16.811 -28.183 14.529 1.00 31.40 ? 352 GLN A NE2 1 ATOM 2942 N N . GLU A 1 354 ? -15.413 -27.664 17.643 1.00 26.27 ? 353 GLU A N 1 ATOM 2943 C CA . GLU A 1 354 ? -14.289 -28.564 17.845 1.00 26.60 ? 353 GLU A CA 1 ATOM 2944 C C . GLU A 1 354 ? -13.623 -28.910 16.520 1.00 25.90 ? 353 GLU A C 1 ATOM 2945 O O . GLU A 1 354 ? -14.305 -29.144 15.506 1.00 25.20 ? 353 GLU A O 1 ATOM 2946 C CB . GLU A 1 354 ? -14.755 -29.849 18.543 1.00 29.04 ? 353 GLU A CB 1 ATOM 2947 C CG . GLU A 1 354 ? -13.613 -30.709 19.050 1.00 30.23 ? 353 GLU A CG 1 ATOM 2948 C CD . GLU A 1 354 ? -14.066 -32.066 19.561 1.00 34.06 ? 353 GLU A CD 1 ATOM 2949 O OE1 . GLU A 1 354 ? -15.304 -32.293 19.616 1.00 35.95 ? 353 GLU A OE1 1 ATOM 2950 O OE2 . GLU A 1 354 ? -13.178 -32.895 19.887 1.00 33.57 ? 353 GLU A OE2 1 ATOM 2951 N N . LEU A 1 355 ? -12.290 -28.954 16.533 1.00 25.02 ? 354 LEU A N 1 ATOM 2952 C CA . LEU A 1 355 ? -11.482 -29.374 15.397 1.00 25.50 ? 354 LEU A CA 1 ATOM 2953 C C . LEU A 1 355 ? -10.645 -30.581 15.827 1.00 26.59 ? 354 LEU A C 1 ATOM 2954 O O . LEU A 1 355 ? -9.474 -30.440 16.216 1.00 24.48 ? 354 LEU A O 1 ATOM 2955 C CB . LEU A 1 355 ? -10.570 -28.244 14.922 1.00 24.94 ? 354 LEU A CB 1 ATOM 2956 C CG . LEU A 1 355 ? -11.290 -26.920 14.587 1.00 25.64 ? 354 LEU A CG 1 ATOM 2957 C CD1 . LEU A 1 355 ? -10.284 -25.816 14.360 1.00 25.38 ? 354 LEU A CD1 1 ATOM 2958 C CD2 . LEU A 1 355 ? -12.215 -27.085 13.387 1.00 26.60 ? 354 LEU A CD2 1 ATOM 2959 N N . PRO A 1 356 ? -11.240 -31.782 15.772 1.00 28.43 ? 355 PRO A N 1 ATOM 2960 C CA . PRO A 1 356 ? -10.474 -32.953 16.219 1.00 29.35 ? 355 PRO A CA 1 ATOM 2961 C C . PRO A 1 356 ? -9.281 -33.250 15.320 1.00 28.85 ? 355 PRO A C 1 ATOM 2962 O O . PRO A 1 356 ? -9.416 -33.292 14.093 1.00 27.77 ? 355 PRO A O 1 ATOM 2963 C CB . PRO A 1 356 ? -11.490 -34.105 16.193 1.00 31.34 ? 355 PRO A CB 1 ATOM 2964 C CG . PRO A 1 356 ? -12.774 -33.539 15.731 1.00 32.37 ? 355 PRO A CG 1 ATOM 2965 C CD . PRO A 1 356 ? -12.545 -32.149 15.204 1.00 31.28 ? 355 PRO A CD 1 ATOM 2966 N N . GLY A 1 357 ? -8.120 -33.426 15.936 1.00 27.84 ? 356 GLY A N 1 ATOM 2967 C CA . GLY A 1 357 ? -6.893 -33.745 15.234 1.00 28.60 ? 356 GLY A CA 1 ATOM 2968 C C . GLY A 1 357 ? -6.210 -32.528 14.645 1.00 28.84 ? 356 GLY A C 1 ATOM 2969 O O . GLY A 1 357 ? -5.283 -32.672 13.856 1.00 29.62 ? 356 GLY A O 1 ATOM 2970 N N . SER A 1 358 ? -6.663 -31.321 14.986 1.00 27.45 ? 357 SER A N 1 ATOM 2971 C CA . SER A 1 358 ? -6.088 -30.122 14.375 1.00 26.73 ? 357 SER A CA 1 ATOM 2972 C C . SER A 1 358 ? -5.044 -29.512 15.316 1.00 25.26 ? 357 SER A C 1 ATOM 2973 O O . SER A 1 358 ? -5.370 -29.033 16.408 1.00 24.83 ? 357 SER A O 1 ATOM 2974 C CB . SER A 1 358 ? -7.197 -29.120 14.045 1.00 27.32 ? 357 SER A CB 1 ATOM 2975 O OG . SER A 1 358 ? -6.696 -28.013 13.333 1.00 28.53 ? 357 SER A OG 1 ATOM 2976 N N . GLU A 1 359 ? -3.785 -29.550 14.902 1.00 23.75 ? 358 GLU A N 1 ATOM 2977 C CA . GLU A 1 359 ? -2.696 -28.991 15.690 1.00 23.13 ? 358 GLU A CA 1 ATOM 2978 C C . GLU A 1 359 ? -2.680 -27.454 15.644 1.00 21.32 ? 358 GLU A C 1 ATOM 2979 O O . GLU A 1 359 ? -3.141 -26.804 14.690 1.00 20.74 ? 358 GLU A O 1 ATOM 2980 C CB . GLU A 1 359 ? -1.355 -29.600 15.218 1.00 25.40 ? 358 GLU A CB 1 ATOM 2981 C CG . GLU A 1 359 ? -0.124 -29.243 16.048 1.00 27.28 ? 358 GLU A CG 1 ATOM 2982 C CD . GLU A 1 359 ? 0.507 -27.917 15.647 1.00 29.65 ? 358 GLU A CD 1 ATOM 2983 O OE1 . GLU A 1 359 ? 0.370 -27.515 14.448 1.00 31.37 ? 358 GLU A OE1 1 ATOM 2984 O OE2 . GLU A 1 359 ? 1.125 -27.259 16.519 1.00 29.15 ? 358 GLU A OE2 1 ATOM 2985 N N . HIS A 1 360 ? -2.138 -26.885 16.704 1.00 20.45 ? 359 HIS A N 1 ATOM 2986 C CA . HIS A 1 360 ? -2.202 -25.451 16.991 1.00 20.08 ? 359 HIS A CA 1 ATOM 2987 C C . HIS A 1 360 ? -1.830 -24.535 15.821 1.00 21.30 ? 359 HIS A C 1 ATOM 2988 O O . HIS A 1 360 ? -2.536 -23.582 15.537 1.00 20.76 ? 359 HIS A O 1 ATOM 2989 C CB . HIS A 1 360 ? -1.270 -25.139 18.156 1.00 19.25 ? 359 HIS A CB 1 ATOM 2990 C CG . HIS A 1 360 ? -1.409 -23.744 18.670 1.00 18.64 ? 359 HIS A CG 1 ATOM 2991 N ND1 . HIS A 1 360 ? -2.580 -23.278 19.236 1.00 19.13 ? 359 HIS A ND1 1 ATOM 2992 C CD2 . HIS A 1 360 ? -0.550 -22.707 18.676 1.00 18.72 ? 359 HIS A CD2 1 ATOM 2993 C CE1 . HIS A 1 360 ? -2.416 -22.022 19.600 1.00 19.00 ? 359 HIS A CE1 1 ATOM 2994 N NE2 . HIS A 1 360 ? -1.196 -21.652 19.271 1.00 18.38 ? 359 HIS A NE2 1 ATOM 2995 N N . ILE A 1 361 ? -0.691 -24.784 15.202 1.00 23.72 ? 360 ILE A N 1 ATOM 2996 C CA . ILE A 1 361 ? -0.268 -23.987 14.045 1.00 27.65 ? 360 ILE A CA 1 ATOM 2997 C C . ILE A 1 361 ? -0.887 -24.448 12.729 1.00 27.85 ? 360 ILE A C 1 ATOM 2998 O O . ILE A 1 361 ? -1.314 -23.622 11.895 1.00 27.14 ? 360 ILE A O 1 ATOM 2999 C CB . ILE A 1 361 ? 1.256 -24.010 13.896 1.00 32.40 ? 360 ILE A CB 1 ATOM 3000 C CG1 . ILE A 1 361 ? 1.887 -23.384 15.136 1.00 34.60 ? 360 ILE A CG1 1 ATOM 3001 C CG2 . ILE A 1 361 ? 1.662 -23.238 12.637 1.00 33.74 ? 360 ILE A CG2 1 ATOM 3002 C CD1 . ILE A 1 361 ? 3.390 -23.544 15.193 1.00 38.21 ? 360 ILE A CD1 1 ATOM 3003 N N . GLU A 1 362 ? -0.968 -25.750 12.536 1.00 26.73 ? 361 GLU A N 1 ATOM 3004 C CA . GLU A 1 362 ? -1.511 -26.279 11.292 1.00 28.77 ? 361 GLU A CA 1 ATOM 3005 C C . GLU A 1 362 ? -2.956 -25.819 11.055 1.00 27.55 ? 361 GLU A C 1 ATOM 3006 O O . GLU A 1 362 ? -3.409 -25.793 9.916 1.00 25.06 ? 361 GLU A O 1 ATOM 3007 C CB . GLU A 1 362 ? -1.406 -27.803 11.275 1.00 33.39 ? 361 GLU A CB 1 ATOM 3008 C CG . GLU A 1 362 ? 0.045 -28.257 11.161 1.00 39.22 ? 361 GLU A CG 1 ATOM 3009 C CD . GLU A 1 362 ? 0.246 -29.761 11.271 1.00 46.26 ? 361 GLU A CD 1 ATOM 3010 O OE1 . GLU A 1 362 ? -0.748 -30.532 11.299 1.00 50.96 ? 361 GLU A OE1 1 ATOM 3011 O OE2 . GLU A 1 362 ? 1.425 -30.175 11.331 1.00 54.37 ? 361 GLU A OE2 1 ATOM 3012 N N . MET A 1 363 ? -3.687 -25.478 12.120 1.00 25.20 ? 362 MET A N 1 ATOM 3013 C CA . MET A 1 363 ? -5.100 -25.102 11.958 1.00 25.26 ? 362 MET A CA 1 ATOM 3014 C C . MET A 1 363 ? -5.278 -23.882 11.055 1.00 24.67 ? 362 MET A C 1 ATOM 3015 O O . MET A 1 363 ? -6.310 -23.753 10.427 1.00 23.85 ? 362 MET A O 1 ATOM 3016 C CB . MET A 1 363 ? -5.826 -24.909 13.303 1.00 26.49 ? 362 MET A CB 1 ATOM 3017 C CG . MET A 1 363 ? -5.537 -23.653 14.075 1.00 29.04 ? 362 MET A CG 1 ATOM 3018 S SD . MET A 1 363 ? -6.779 -23.445 15.421 1.00 33.09 ? 362 MET A SD 1 ATOM 3019 C CE . MET A 1 363 ? -6.498 -24.913 16.438 1.00 32.53 ? 362 MET A CE 1 ATOM 3020 N N . LEU A 1 364 ? -4.256 -23.027 10.979 1.00 24.54 ? 363 LEU A N 1 ATOM 3021 C CA . LEU A 1 364 ? -4.286 -21.848 10.112 1.00 25.56 ? 363 LEU A CA 1 ATOM 3022 C C . LEU A 1 364 ? -4.252 -22.120 8.616 1.00 24.62 ? 363 LEU A C 1 ATOM 3023 O O . LEU A 1 364 ? -4.620 -21.244 7.821 1.00 24.24 ? 363 LEU A O 1 ATOM 3024 C CB . LEU A 1 364 ? -3.112 -20.924 10.423 1.00 26.64 ? 363 LEU A CB 1 ATOM 3025 C CG . LEU A 1 364 ? -3.260 -20.015 11.619 1.00 28.00 ? 363 LEU A CG 1 ATOM 3026 C CD1 . LEU A 1 364 ? -2.073 -19.062 11.592 1.00 29.36 ? 363 LEU A CD1 1 ATOM 3027 C CD2 . LEU A 1 364 ? -4.551 -19.204 11.585 1.00 27.44 ? 363 LEU A CD2 1 ATOM 3028 N N . ALA A 1 365 ? -3.781 -23.300 8.230 1.00 23.91 ? 364 ALA A N 1 ATOM 3029 C CA . ALA A 1 365 ? -3.694 -23.679 6.812 1.00 25.54 ? 364 ALA A CA 1 ATOM 3030 C C . ALA A 1 365 ? -4.583 -24.863 6.512 1.00 26.22 ? 364 ALA A C 1 ATOM 3031 O O . ALA A 1 365 ? -4.511 -25.445 5.444 1.00 29.64 ? 364 ALA A O 1 ATOM 3032 C CB . ALA A 1 365 ? -2.244 -23.994 6.447 1.00 25.22 ? 364 ALA A CB 1 ATOM 3033 N N . ASN A 1 366 ? -5.441 -25.225 7.452 1.00 24.83 ? 365 ASN A N 1 ATOM 3034 C CA . ASN A 1 366 ? -6.237 -26.434 7.333 1.00 25.46 ? 365 ASN A CA 1 ATOM 3035 C C . ASN A 1 366 ? -7.544 -26.147 6.591 1.00 25.14 ? 365 ASN A C 1 ATOM 3036 O O . ASN A 1 366 ? -8.218 -25.166 6.858 1.00 22.99 ? 365 ASN A O 1 ATOM 3037 C CB . ASN A 1 366 ? -6.466 -26.966 8.745 1.00 26.44 ? 365 ASN A CB 1 ATOM 3038 C CG . ASN A 1 366 ? -7.312 -28.209 8.799 1.00 28.30 ? 365 ASN A CG 1 ATOM 3039 O OD1 . ASN A 1 366 ? -8.441 -28.258 8.299 1.00 30.61 ? 365 ASN A OD1 1 ATOM 3040 N ND2 . ASN A 1 366 ? -6.770 -29.239 9.442 1.00 29.03 ? 365 ASN A ND2 1 ATOM 3041 N N . ALA A 1 367 ? -7.862 -27.001 5.629 1.00 25.77 ? 366 ALA A N 1 ATOM 3042 C CA . ALA A 1 367 ? -9.022 -26.825 4.747 1.00 26.31 ? 366 ALA A CA 1 ATOM 3043 C C . ALA A 1 367 ? -10.345 -26.728 5.500 1.00 25.64 ? 366 ALA A C 1 ATOM 3044 O O . ALA A 1 367 ? -11.242 -26.018 5.063 1.00 26.22 ? 366 ALA A O 1 ATOM 3045 C CB . ALA A 1 367 ? -9.075 -27.949 3.700 1.00 27.78 ? 366 ALA A CB 1 ATOM 3046 N N . THR A 1 368 ? -10.487 -27.462 6.597 1.00 26.56 ? 367 THR A N 1 ATOM 3047 C CA A THR A 1 368 ? -11.711 -27.401 7.404 0.50 26.54 ? 367 THR A CA 1 ATOM 3048 C CA B THR A 1 368 ? -11.704 -27.402 7.396 0.50 25.63 ? 367 THR A CA 1 ATOM 3049 C C . THR A 1 368 ? -11.834 -26.052 8.108 1.00 25.02 ? 367 THR A C 1 ATOM 3050 O O . THR A 1 368 ? -12.912 -25.480 8.172 1.00 23.56 ? 367 THR A O 1 ATOM 3051 C CB A THR A 1 368 ? -11.818 -28.550 8.429 0.50 28.58 ? 367 THR A CB 1 ATOM 3052 C CB B THR A 1 368 ? -11.725 -28.565 8.388 0.50 26.47 ? 367 THR A CB 1 ATOM 3053 O OG1 A THR A 1 368 ? -10.663 -28.576 9.285 0.50 29.64 ? 367 THR A OG1 1 ATOM 3054 O OG1 B THR A 1 368 ? -11.622 -29.779 7.648 0.50 27.02 ? 367 THR A OG1 1 ATOM 3055 C CG2 A THR A 1 368 ? -11.947 -29.850 7.713 0.50 29.67 ? 367 THR A CG2 1 ATOM 3056 C CG2 B THR A 1 368 ? -12.995 -28.552 9.248 0.50 26.17 ? 367 THR A CG2 1 ATOM 3057 N N . THR A 1 369 ? -10.721 -25.525 8.606 1.00 23.17 ? 368 THR A N 1 ATOM 3058 C CA . THR A 1 369 ? -10.722 -24.189 9.201 1.00 22.41 ? 368 THR A CA 1 ATOM 3059 C C . THR A 1 369 ? -11.124 -23.145 8.167 1.00 21.55 ? 368 THR A C 1 ATOM 3060 O O . THR A 1 369 ? -11.935 -22.253 8.440 1.00 20.42 ? 368 THR A O 1 ATOM 3061 C CB . THR A 1 369 ? -9.330 -23.789 9.735 1.00 22.27 ? 368 THR A CB 1 ATOM 3062 O OG1 . THR A 1 369 ? -8.840 -24.780 10.646 1.00 23.23 ? 368 THR A OG1 1 ATOM 3063 C CG2 . THR A 1 369 ? -9.387 -22.442 10.431 1.00 22.65 ? 368 THR A CG2 1 ATOM 3064 N N . LEU A 1 370 ? -10.559 -23.267 6.980 1.00 21.61 ? 369 LEU A N 1 ATOM 3065 C CA . LEU A 1 370 ? -10.808 -22.289 5.924 1.00 21.97 ? 369 LEU A CA 1 ATOM 3066 C C . LEU A 1 370 ? -12.260 -22.390 5.417 1.00 22.41 ? 369 LEU A C 1 ATOM 3067 O O . LEU A 1 370 ? -12.880 -21.379 5.122 1.00 21.76 ? 369 LEU A O 1 ATOM 3068 C CB . LEU A 1 370 ? -9.799 -22.475 4.801 1.00 22.87 ? 369 LEU A CB 1 ATOM 3069 C CG . LEU A 1 370 ? -8.351 -22.207 5.232 1.00 23.17 ? 369 LEU A CG 1 ATOM 3070 C CD1 . LEU A 1 370 ? -7.350 -22.602 4.145 1.00 25.11 ? 369 LEU A CD1 1 ATOM 3071 C CD2 . LEU A 1 370 ? -8.165 -20.770 5.623 1.00 23.44 ? 369 LEU A CD2 1 ATOM 3072 N N . ALA A 1 371 ? -12.796 -23.604 5.349 1.00 22.50 ? 370 ALA A N 1 ATOM 3073 C CA . ALA A 1 371 ? -14.202 -23.793 4.959 1.00 23.73 ? 370 ALA A CA 1 ATOM 3074 C C . ALA A 1 371 ? -15.152 -23.158 5.977 1.00 23.35 ? 370 ALA A C 1 ATOM 3075 O O . ALA A 1 371 ? -16.176 -22.579 5.601 1.00 24.54 ? 370 ALA A O 1 ATOM 3076 C CB . ALA A 1 371 ? -14.525 -25.279 4.798 1.00 24.63 ? 370 ALA A CB 1 ATOM 3077 N N . TYR A 1 372 ? -14.816 -23.256 7.259 1.00 22.87 ? 371 TYR A N 1 ATOM 3078 C CA . TYR A 1 372 ? -15.610 -22.599 8.304 1.00 23.06 ? 371 TYR A CA 1 ATOM 3079 C C . TYR A 1 372 ? -15.574 -21.069 8.145 1.00 20.99 ? 371 TYR A C 1 ATOM 3080 O O . TYR A 1 372 ? -16.593 -20.390 8.165 1.00 20.27 ? 371 TYR A O 1 ATOM 3081 C CB . TYR A 1 372 ? -15.121 -23.003 9.707 1.00 23.30 ? 371 TYR A CB 1 ATOM 3082 C CG . TYR A 1 372 ? -16.061 -22.569 10.807 1.00 24.50 ? 371 TYR A CG 1 ATOM 3083 C CD1 . TYR A 1 372 ? -16.072 -21.252 11.264 1.00 24.50 ? 371 TYR A CD1 1 ATOM 3084 C CD2 . TYR A 1 372 ? -16.949 -23.472 11.394 1.00 26.80 ? 371 TYR A CD2 1 ATOM 3085 C CE1 . TYR A 1 372 ? -16.950 -20.843 12.257 1.00 25.04 ? 371 TYR A CE1 1 ATOM 3086 C CE2 . TYR A 1 372 ? -17.820 -23.074 12.398 1.00 27.23 ? 371 TYR A CE2 1 ATOM 3087 C CZ . TYR A 1 372 ? -17.829 -21.752 12.814 1.00 26.80 ? 371 TYR A CZ 1 ATOM 3088 O OH . TYR A 1 372 ? -18.708 -21.334 13.789 1.00 26.18 ? 371 TYR A OH 1 ATOM 3089 N N . LEU A 1 373 ? -14.381 -20.529 7.977 1.00 20.43 ? 372 LEU A N 1 ATOM 3090 C CA . LEU A 1 373 ? -14.239 -19.102 7.753 1.00 20.31 ? 372 LEU A CA 1 ATOM 3091 C C . LEU A 1 373 ? -15.014 -18.617 6.519 1.00 20.51 ? 372 LEU A C 1 ATOM 3092 O O . LEU A 1 373 ? -15.633 -17.554 6.538 1.00 20.05 ? 372 LEU A O 1 ATOM 3093 C CB . LEU A 1 373 ? -12.749 -18.736 7.675 1.00 20.34 ? 372 LEU A CB 1 ATOM 3094 C CG . LEU A 1 373 ? -12.436 -17.261 7.479 1.00 20.63 ? 372 LEU A CG 1 ATOM 3095 C CD1 . LEU A 1 373 ? -12.915 -16.403 8.649 1.00 20.82 ? 372 LEU A CD1 1 ATOM 3096 C CD2 . LEU A 1 373 ? -10.931 -17.084 7.260 1.00 20.91 ? 372 LEU A CD2 1 ATOM 3097 N N . LYS A 1 374 ? -14.963 -19.388 5.442 1.00 21.55 ? 373 LYS A N 1 ATOM 3098 C CA . LYS A 1 374 ? -15.686 -19.038 4.230 1.00 22.71 ? 373 LYS A CA 1 ATOM 3099 C C . LYS A 1 374 ? -17.188 -18.879 4.471 1.00 24.74 ? 373 LYS A C 1 ATOM 3100 O O . LYS A 1 374 ? -17.809 -17.931 3.962 1.00 23.70 ? 373 LYS A O 1 ATOM 3101 C CB . LYS A 1 374 ? -15.467 -20.087 3.151 1.00 23.94 ? 373 LYS A CB 1 ATOM 3102 C CG . LYS A 1 374 ? -15.956 -19.605 1.790 1.00 25.05 ? 373 LYS A CG 1 ATOM 3103 C CD . LYS A 1 374 ? -15.788 -20.662 0.730 1.00 26.59 ? 373 LYS A CD 1 ATOM 3104 C CE . LYS A 1 374 ? -16.144 -20.097 -0.635 1.00 28.13 ? 373 LYS A CE 1 ATOM 3105 N NZ . LYS A 1 374 ? -15.901 -21.152 -1.647 1.00 29.63 ? 373 LYS A NZ 1 ATOM 3106 N N . ARG A 1 375 ? -17.755 -19.789 5.262 1.00 25.74 ? 374 ARG A N 1 ATOM 3107 C CA A ARG A 1 375 ? -19.166 -19.720 5.624 0.50 27.64 ? 374 ARG A CA 1 ATOM 3108 C CA B ARG A 1 375 ? -19.171 -19.722 5.632 0.50 27.64 ? 374 ARG A CA 1 ATOM 3109 C C . ARG A 1 375 ? -19.466 -18.463 6.458 1.00 26.68 ? 374 ARG A C 1 ATOM 3110 O O . ARG A 1 375 ? -20.491 -17.814 6.250 1.00 26.51 ? 374 ARG A O 1 ATOM 3111 C CB A ARG A 1 375 ? -19.567 -20.997 6.365 0.50 30.02 ? 374 ARG A CB 1 ATOM 3112 C CB B ARG A 1 375 ? -19.576 -20.991 6.395 0.50 30.26 ? 374 ARG A CB 1 ATOM 3113 C CG A ARG A 1 375 ? -21.023 -21.049 6.801 0.50 33.51 ? 374 ARG A CG 1 ATOM 3114 C CG B ARG A 1 375 ? -20.998 -21.001 6.970 0.50 33.86 ? 374 ARG A CG 1 ATOM 3115 C CD A ARG A 1 375 ? -21.980 -21.025 5.621 0.50 35.75 ? 374 ARG A CD 1 ATOM 3116 C CD B ARG A 1 375 ? -21.134 -22.083 8.043 0.50 36.26 ? 374 ARG A CD 1 ATOM 3117 N NE A ARG A 1 375 ? -23.366 -21.007 6.084 0.50 39.04 ? 374 ARG A NE 1 ATOM 3118 N NE B ARG A 1 375 ? -22.026 -21.727 9.160 0.50 37.89 ? 374 ARG A NE 1 ATOM 3119 C CZ A ARG A 1 375 ? -23.959 -19.937 6.606 0.50 40.81 ? 374 ARG A CZ 1 ATOM 3120 C CZ B ARG A 1 375 ? -21.635 -21.061 10.244 0.50 37.85 ? 374 ARG A CZ 1 ATOM 3121 N NH1 A ARG A 1 375 ? -25.214 -20.007 7.016 0.50 43.78 ? 374 ARG A NH1 1 ATOM 3122 N NH1 B ARG A 1 375 ? -22.493 -20.787 11.212 0.50 39.06 ? 374 ARG A NH1 1 ATOM 3123 N NH2 A ARG A 1 375 ? -23.295 -18.796 6.731 0.50 41.03 ? 374 ARG A NH2 1 ATOM 3124 N NH2 B ARG A 1 375 ? -20.384 -20.653 10.353 0.50 37.45 ? 374 ARG A NH2 1 ATOM 3125 N N . VAL A 1 376 ? -18.573 -18.112 7.390 1.00 24.51 ? 375 VAL A N 1 ATOM 3126 C CA . VAL A 1 376 ? -18.754 -16.903 8.208 1.00 24.05 ? 375 VAL A CA 1 ATOM 3127 C C . VAL A 1 376 ? -18.765 -15.652 7.311 1.00 24.85 ? 375 VAL A C 1 ATOM 3128 O O . VAL A 1 376 ? -19.613 -14.772 7.468 1.00 23.56 ? 375 VAL A O 1 ATOM 3129 C CB . VAL A 1 376 ? -17.661 -16.766 9.301 1.00 24.16 ? 375 VAL A CB 1 ATOM 3130 C CG1 . VAL A 1 376 ? -17.759 -15.432 10.028 1.00 24.17 ? 375 VAL A CG1 1 ATOM 3131 C CG2 . VAL A 1 376 ? -17.771 -17.885 10.320 1.00 24.88 ? 375 VAL A CG2 1 ATOM 3132 N N . LEU A 1 377 ? -17.804 -15.564 6.383 1.00 22.87 ? 376 LEU A N 1 ATOM 3133 C CA . LEU A 1 377 ? -17.633 -14.374 5.560 1.00 23.02 ? 376 LEU A CA 1 ATOM 3134 C C . LEU A 1 377 ? -18.606 -14.235 4.380 1.00 25.77 ? 376 LEU A C 1 ATOM 3135 O O . LEU A 1 377 ? -19.133 -13.145 4.137 1.00 25.49 ? 376 LEU A O 1 ATOM 3136 C CB . LEU A 1 377 ? -16.210 -14.345 5.008 1.00 22.22 ? 376 LEU A CB 1 ATOM 3137 C CG . LEU A 1 377 ? -15.107 -14.296 6.060 1.00 21.90 ? 376 LEU A CG 1 ATOM 3138 C CD1 . LEU A 1 377 ? -13.744 -14.232 5.389 1.00 21.88 ? 376 LEU A CD1 1 ATOM 3139 C CD2 . LEU A 1 377 ? -15.278 -13.091 6.993 1.00 21.97 ? 376 LEU A CD2 1 ATOM 3140 N N . LEU A 1 378 ? -18.858 -15.346 3.679 1.00 27.71 ? 377 LEU A N 1 ATOM 3141 C CA . LEU A 1 378 ? -19.597 -15.309 2.418 1.00 30.45 ? 377 LEU A CA 1 ATOM 3142 C C . LEU A 1 378 ? -21.020 -15.831 2.561 1.00 33.19 ? 377 LEU A C 1 ATOM 3143 O O . LEU A 1 378 ? -21.812 -15.666 1.652 1.00 34.36 ? 377 LEU A O 1 ATOM 3144 C CB . LEU A 1 378 ? -18.871 -16.116 1.346 1.00 32.36 ? 377 LEU A CB 1 ATOM 3145 C CG . LEU A 1 378 ? -17.723 -15.501 0.526 1.00 34.13 ? 377 LEU A CG 1 ATOM 3146 C CD1 . LEU A 1 378 ? -16.837 -14.566 1.312 1.00 33.60 ? 377 LEU A CD1 1 ATOM 3147 C CD2 . LEU A 1 378 ? -16.902 -16.609 -0.112 1.00 35.25 ? 377 LEU A CD2 1 ATOM 3148 N N . GLY A 1 379 ? -21.352 -16.450 3.684 1.00 37.03 ? 378 GLY A N 1 ATOM 3149 C CA . GLY A 1 379 ? -22.737 -16.830 3.962 1.00 44.02 ? 378 GLY A CA 1 ATOM 3150 C C . GLY A 1 379 ? -23.042 -18.213 3.439 1.00 50.46 ? 378 GLY A C 1 ATOM 3151 O O . GLY A 1 379 ? -22.141 -18.893 2.941 1.00 50.54 ? 378 GLY A O 1 ATOM 3152 N N . PRO A 1 380 ? -24.323 -18.637 3.543 1.00 59.61 ? 379 PRO A N 1 ATOM 3153 C CA . PRO A 1 380 ? -24.735 -20.013 3.247 1.00 64.63 ? 379 PRO A CA 1 ATOM 3154 C C . PRO A 1 380 ? -24.636 -20.369 1.762 1.00 68.51 ? 379 PRO A C 1 ATOM 3155 O O . PRO A 1 380 ? -24.653 -19.479 0.910 1.00 71.40 ? 379 PRO A O 1 ATOM 3156 C CB . PRO A 1 380 ? -26.194 -20.058 3.730 1.00 66.12 ? 379 PRO A CB 1 ATOM 3157 C CG . PRO A 1 380 ? -26.671 -18.643 3.672 1.00 64.73 ? 379 PRO A CG 1 ATOM 3158 C CD . PRO A 1 380 ? -25.468 -17.776 3.911 1.00 62.24 ? 379 PRO A CD 1 ATOM 3159 N N . HIS B 1 5 ? 15.388 15.756 5.951 1.00 40.40 ? 4 HIS B N 1 ATOM 3160 C CA . HIS B 1 5 ? 13.900 15.979 5.988 1.00 37.29 ? 4 HIS B CA 1 ATOM 3161 C C . HIS B 1 5 ? 13.316 15.301 7.249 1.00 30.87 ? 4 HIS B C 1 ATOM 3162 O O . HIS B 1 5 ? 12.637 14.293 7.180 1.00 28.70 ? 4 HIS B O 1 ATOM 3163 C CB . HIS B 1 5 ? 13.315 15.448 4.697 1.00 41.88 ? 4 HIS B CB 1 ATOM 3164 C CG . HIS B 1 5 ? 11.865 15.741 4.506 1.00 41.97 ? 4 HIS B CG 1 ATOM 3165 N ND1 . HIS B 1 5 ? 11.400 16.654 3.584 1.00 43.32 ? 4 HIS B ND1 1 ATOM 3166 C CD2 . HIS B 1 5 ? 10.775 15.180 5.069 1.00 42.48 ? 4 HIS B CD2 1 ATOM 3167 C CE1 . HIS B 1 5 ? 10.081 16.647 3.600 1.00 43.36 ? 4 HIS B CE1 1 ATOM 3168 N NE2 . HIS B 1 5 ? 9.680 15.755 4.487 1.00 42.66 ? 4 HIS B NE2 1 ATOM 3169 N N . PRO B 1 6 ? 13.648 15.823 8.429 1.00 26.06 ? 5 PRO B N 1 ATOM 3170 C CA . PRO B 1 6 ? 13.217 15.108 9.634 1.00 23.57 ? 5 PRO B CA 1 ATOM 3171 C C . PRO B 1 6 ? 11.741 15.369 9.927 1.00 21.21 ? 5 PRO B C 1 ATOM 3172 O O . PRO B 1 6 ? 11.225 16.422 9.567 1.00 20.63 ? 5 PRO B O 1 ATOM 3173 C CB . PRO B 1 6 ? 14.081 15.721 10.740 1.00 24.47 ? 5 PRO B CB 1 ATOM 3174 C CG . PRO B 1 6 ? 14.312 17.111 10.264 1.00 25.93 ? 5 PRO B CG 1 ATOM 3175 C CD . PRO B 1 6 ? 14.469 16.996 8.762 1.00 26.44 ? 5 PRO B CD 1 ATOM 3176 N N . PRO B 1 7 ? 11.096 14.449 10.631 1.00 20.11 ? 6 PRO B N 1 ATOM 3177 C CA . PRO B 1 7 ? 9.710 14.703 11.057 1.00 19.26 ? 6 PRO B CA 1 ATOM 3178 C C . PRO B 1 7 ? 9.594 15.895 12.013 1.00 19.20 ? 6 PRO B C 1 ATOM 3179 O O . PRO B 1 7 ? 10.529 16.194 12.785 1.00 18.74 ? 6 PRO B O 1 ATOM 3180 C CB . PRO B 1 7 ? 9.290 13.415 11.750 1.00 19.86 ? 6 PRO B CB 1 ATOM 3181 C CG . PRO B 1 7 ? 10.486 12.528 11.791 1.00 20.93 ? 6 PRO B CG 1 ATOM 3182 C CD . PRO B 1 7 ? 11.662 13.198 11.181 1.00 20.49 ? 6 PRO B CD 1 ATOM 3183 N N . VAL B 1 8 ? 8.452 16.579 11.945 1.00 18.34 ? 7 VAL B N 1 ATOM 3184 C CA . VAL B 1 8 ? 8.256 17.815 12.661 1.00 18.30 ? 7 VAL B CA 1 ATOM 3185 C C . VAL B 1 8 ? 6.973 17.750 13.468 1.00 17.20 ? 7 VAL B C 1 ATOM 3186 O O . VAL B 1 8 ? 5.933 17.314 12.944 1.00 16.12 ? 7 VAL B O 1 ATOM 3187 C CB . VAL B 1 8 ? 8.149 19.002 11.683 1.00 18.53 ? 7 VAL B CB 1 ATOM 3188 C CG1 . VAL B 1 8 ? 7.700 20.265 12.390 1.00 19.24 ? 7 VAL B CG1 1 ATOM 3189 C CG2 . VAL B 1 8 ? 9.475 19.253 11.003 1.00 20.17 ? 7 VAL B CG2 1 ATOM 3190 N N . VAL B 1 9 ? 7.055 18.168 14.728 1.00 16.98 ? 8 VAL B N 1 ATOM 3191 C CA . VAL B 1 9 ? 5.885 18.334 15.596 1.00 16.77 ? 8 VAL B CA 1 ATOM 3192 C C . VAL B 1 9 ? 5.752 19.818 15.972 1.00 17.38 ? 8 VAL B C 1 ATOM 3193 O O . VAL B 1 9 ? 6.712 20.447 16.436 1.00 16.74 ? 8 VAL B O 1 ATOM 3194 C CB . VAL B 1 9 ? 5.986 17.468 16.870 1.00 16.85 ? 8 VAL B CB 1 ATOM 3195 C CG1 . VAL B 1 9 ? 4.861 17.789 17.835 1.00 16.83 ? 8 VAL B CG1 1 ATOM 3196 C CG2 . VAL B 1 9 ? 5.956 15.972 16.500 1.00 17.22 ? 8 VAL B CG2 1 ATOM 3197 N N . LEU B 1 10 ? 4.543 20.341 15.779 1.00 16.46 ? 9 LEU B N 1 ATOM 3198 C CA . LEU B 1 10 ? 4.230 21.754 16.045 1.00 17.12 ? 9 LEU B CA 1 ATOM 3199 C C . LEU B 1 10 ? 3.464 21.889 17.357 1.00 16.76 ? 9 LEU B C 1 ATOM 3200 O O . LEU B 1 10 ? 2.456 21.203 17.567 1.00 17.05 ? 9 LEU B O 1 ATOM 3201 C CB . LEU B 1 10 ? 3.402 22.341 14.913 1.00 17.24 ? 9 LEU B CB 1 ATOM 3202 C CG . LEU B 1 10 ? 3.951 22.154 13.497 1.00 18.80 ? 9 LEU B CG 1 ATOM 3203 C CD1 . LEU B 1 10 ? 2.930 22.658 12.469 1.00 19.37 ? 9 LEU B CD1 1 ATOM 3204 C CD2 . LEU B 1 10 ? 5.251 22.891 13.306 1.00 19.23 ? 9 LEU B CD2 1 ATOM 3205 N N . VAL B 1 11 ? 3.930 22.790 18.230 1.00 16.45 ? 10 VAL B N 1 ATOM 3206 C CA . VAL B 1 11 ? 3.331 23.013 19.546 1.00 15.92 ? 10 VAL B CA 1 ATOM 3207 C C . VAL B 1 11 ? 2.893 24.485 19.661 1.00 16.13 ? 10 VAL B C 1 ATOM 3208 O O . VAL B 1 11 ? 3.737 25.389 19.601 1.00 15.26 ? 10 VAL B O 1 ATOM 3209 C CB . VAL B 1 11 ? 4.312 22.678 20.700 1.00 16.50 ? 10 VAL B CB 1 ATOM 3210 C CG1 . VAL B 1 11 ? 3.598 22.774 22.037 1.00 16.23 ? 10 VAL B CG1 1 ATOM 3211 C CG2 . VAL B 1 11 ? 4.917 21.280 20.518 1.00 17.03 ? 10 VAL B CG2 1 ATOM 3212 N N . PRO B 1 12 ? 1.577 24.724 19.777 1.00 15.83 ? 11 PRO B N 1 ATOM 3213 C CA . PRO B 1 12 ? 1.055 26.079 19.766 1.00 15.93 ? 11 PRO B CA 1 ATOM 3214 C C . PRO B 1 12 ? 1.122 26.766 21.118 1.00 15.67 ? 11 PRO B C 1 ATOM 3215 O O . PRO B 1 12 ? 1.401 26.138 22.121 1.00 16.02 ? 11 PRO B O 1 ATOM 3216 C CB . PRO B 1 12 ? -0.422 25.869 19.404 1.00 16.24 ? 11 PRO B CB 1 ATOM 3217 C CG . PRO B 1 12 ? -0.764 24.562 20.026 1.00 16.17 ? 11 PRO B CG 1 ATOM 3218 C CD . PRO B 1 12 ? 0.490 23.726 19.868 1.00 15.99 ? 11 PRO B CD 1 ATOM 3219 N N . GLY B 1 13 ? 0.842 28.070 21.123 1.00 16.69 ? 12 GLY B N 1 ATOM 3220 C CA . GLY B 1 13 ? 0.770 28.835 22.366 1.00 16.68 ? 12 GLY B CA 1 ATOM 3221 C C . GLY B 1 13 ? -0.659 28.971 22.881 1.00 17.78 ? 12 GLY B C 1 ATOM 3222 O O . GLY B 1 13 ? -1.586 28.267 22.447 1.00 17.63 ? 12 GLY B O 1 ATOM 3223 N N . ASP B 1 14 ? -0.830 29.893 23.825 1.00 19.12 ? 13 ASP B N 1 ATOM 3224 C CA . ASP B 1 14 ? -2.127 30.190 24.414 1.00 18.34 ? 13 ASP B CA 1 ATOM 3225 C C . ASP B 1 14 ? -3.101 30.694 23.342 1.00 19.77 ? 13 ASP B C 1 ATOM 3226 O O . ASP B 1 14 ? -2.724 31.454 22.446 1.00 20.59 ? 13 ASP B O 1 ATOM 3227 C CB . ASP B 1 14 ? -1.920 31.234 25.525 1.00 19.58 ? 13 ASP B CB 1 ATOM 3228 C CG . ASP B 1 14 ? -3.048 31.263 26.565 1.00 20.44 ? 13 ASP B CG 1 ATOM 3229 O OD1 . ASP B 1 14 ? -4.082 30.549 26.448 1.00 20.39 ? 13 ASP B OD1 1 ATOM 3230 O OD2 . ASP B 1 14 ? -2.870 32.045 27.542 1.00 20.77 ? 13 ASP B OD2 1 ATOM 3231 N N . LEU B 1 15 ? -4.348 30.232 23.392 1.00 19.46 ? 14 LEU B N 1 ATOM 3232 C CA . LEU B 1 15 ? -5.341 30.500 22.348 1.00 19.70 ? 14 LEU B CA 1 ATOM 3233 C C . LEU B 1 15 ? -5.005 29.871 20.999 1.00 18.67 ? 14 LEU B C 1 ATOM 3234 O O . LEU B 1 15 ? -5.664 30.178 20.004 1.00 18.79 ? 14 LEU B O 1 ATOM 3235 C CB . LEU B 1 15 ? -5.558 32.006 22.149 1.00 20.95 ? 14 LEU B CB 1 ATOM 3236 C CG . LEU B 1 15 ? -5.777 32.886 23.386 1.00 22.62 ? 14 LEU B CG 1 ATOM 3237 C CD1 . LEU B 1 15 ? -6.008 34.326 22.946 1.00 23.95 ? 14 LEU B CD1 1 ATOM 3238 C CD2 . LEU B 1 15 ? -6.963 32.380 24.172 1.00 23.21 ? 14 LEU B CD2 1 ATOM 3239 N N . GLY B 1 16 ? -4.004 28.990 20.963 1.00 18.09 ? 15 GLY B N 1 ATOM 3240 C CA . GLY B 1 16 ? -3.334 28.616 19.720 1.00 17.41 ? 15 GLY B CA 1 ATOM 3241 C C . GLY B 1 16 ? -3.826 27.368 19.031 1.00 17.53 ? 15 GLY B C 1 ATOM 3242 O O . GLY B 1 16 ? -3.227 26.913 18.064 1.00 17.08 ? 15 GLY B O 1 ATOM 3243 N N . ASN B 1 17 ? -4.966 26.835 19.468 1.00 17.68 ? 16 ASN B N 1 ATOM 3244 C CA . ASN B 1 17 ? -5.638 25.815 18.700 1.00 17.50 ? 16 ASN B CA 1 ATOM 3245 C C . ASN B 1 17 ? -7.130 25.834 18.967 1.00 18.34 ? 16 ASN B C 1 ATOM 3246 O O . ASN B 1 17 ? -7.600 26.363 19.985 1.00 17.74 ? 16 ASN B O 1 ATOM 3247 C CB . ASN B 1 17 ? -5.037 24.409 18.926 1.00 17.06 ? 16 ASN B CB 1 ATOM 3248 C CG . ASN B 1 17 ? -4.937 24.015 20.399 1.00 16.83 ? 16 ASN B CG 1 ATOM 3249 O OD1 . ASN B 1 17 ? -3.831 23.882 20.938 1.00 16.57 ? 16 ASN B OD1 1 ATOM 3250 N ND2 . ASN B 1 17 ? -6.078 23.739 21.030 1.00 16.04 ? 16 ASN B ND2 1 ATOM 3251 N N . GLN B 1 18 ? -7.869 25.252 18.039 1.00 18.74 ? 17 GLN B N 1 ATOM 3252 C CA . GLN B 1 18 ? -9.330 25.160 18.201 1.00 20.34 ? 17 GLN B CA 1 ATOM 3253 C C . GLN B 1 18 ? -9.689 24.383 19.481 1.00 19.73 ? 17 GLN B C 1 ATOM 3254 O O . GLN B 1 18 ? -8.961 23.486 19.890 1.00 18.58 ? 17 GLN B O 1 ATOM 3255 C CB . GLN B 1 18 ? -9.958 24.462 17.007 1.00 21.27 ? 17 GLN B CB 1 ATOM 3256 C CG . GLN B 1 18 ? -9.794 25.204 15.692 1.00 23.46 ? 17 GLN B CG 1 ATOM 3257 C CD . GLN B 1 18 ? -10.399 24.469 14.516 1.00 24.85 ? 17 GLN B CD 1 ATOM 3258 O OE1 . GLN B 1 18 ? -11.238 23.564 14.675 1.00 25.57 ? 17 GLN B OE1 1 ATOM 3259 N NE2 . GLN B 1 18 ? -9.931 24.815 13.318 1.00 25.58 ? 17 GLN B NE2 1 ATOM 3260 N N . LEU B 1 19 ? -10.842 24.716 20.063 1.00 20.89 ? 18 LEU B N 1 ATOM 3261 C CA . LEU B 1 19 ? -11.472 23.917 21.112 1.00 21.62 ? 18 LEU B CA 1 ATOM 3262 C C . LEU B 1 19 ? -12.935 23.707 20.748 1.00 22.49 ? 18 LEU B C 1 ATOM 3263 O O . LEU B 1 19 ? -13.566 24.587 20.137 1.00 22.28 ? 18 LEU B O 1 ATOM 3264 C CB . LEU B 1 19 ? -11.406 24.610 22.474 1.00 21.98 ? 18 LEU B CB 1 ATOM 3265 C CG . LEU B 1 19 ? -10.022 24.858 23.092 1.00 21.89 ? 18 LEU B CG 1 ATOM 3266 C CD1 . LEU B 1 19 ? -10.185 25.601 24.413 1.00 23.00 ? 18 LEU B CD1 1 ATOM 3267 C CD2 . LEU B 1 19 ? -9.285 23.552 23.320 1.00 21.37 ? 18 LEU B CD2 1 ATOM 3268 N N . GLU B 1 20 ? -13.463 22.544 21.120 1.00 22.93 ? 19 GLU B N 1 ATOM 3269 C CA . GLU B 1 20 ? -14.860 22.190 20.846 1.00 24.59 ? 19 GLU B CA 1 ATOM 3270 C C . GLU B 1 20 ? -15.591 21.878 22.144 1.00 24.88 ? 19 GLU B C 1 ATOM 3271 O O . GLU B 1 20 ? -14.988 21.388 23.088 1.00 24.23 ? 19 GLU B O 1 ATOM 3272 C CB . GLU B 1 20 ? -14.924 20.955 19.937 1.00 27.69 ? 19 GLU B CB 1 ATOM 3273 C CG . GLU B 1 20 ? -14.490 21.248 18.519 1.00 29.81 ? 19 GLU B CG 1 ATOM 3274 C CD . GLU B 1 20 ? -14.394 20.016 17.636 1.00 33.63 ? 19 GLU B CD 1 ATOM 3275 O OE1 . GLU B 1 20 ? -14.496 18.862 18.137 1.00 33.74 ? 19 GLU B OE1 1 ATOM 3276 O OE2 . GLU B 1 20 ? -14.189 20.226 16.423 1.00 37.70 ? 19 GLU B OE2 1 ATOM 3277 N N . ALA B 1 21 ? -16.888 22.156 22.188 1.00 25.22 ? 20 ALA B N 1 ATOM 3278 C CA . ALA B 1 21 ? -17.681 21.902 23.367 1.00 26.13 ? 20 ALA B CA 1 ATOM 3279 C C . ALA B 1 21 ? -18.973 21.170 23.024 1.00 26.99 ? 20 ALA B C 1 ATOM 3280 O O . ALA B 1 21 ? -19.515 21.325 21.940 1.00 27.06 ? 20 ALA B O 1 ATOM 3281 C CB . ALA B 1 21 ? -18.016 23.209 24.086 1.00 26.58 ? 20 ALA B CB 1 ATOM 3282 N N . LYS B 1 22 ? -19.466 20.410 23.995 1.00 29.17 ? 21 LYS B N 1 ATOM 3283 C CA . LYS B 1 22 ? -20.804 19.800 23.927 1.00 31.90 ? 21 LYS B CA 1 ATOM 3284 C C . LYS B 1 22 ? -21.517 20.102 25.238 1.00 32.27 ? 21 LYS B C 1 ATOM 3285 O O . LYS B 1 22 ? -20.911 20.052 26.304 1.00 31.07 ? 21 LYS B O 1 ATOM 3286 C CB . LYS B 1 22 ? -20.691 18.293 23.688 1.00 33.43 ? 21 LYS B CB 1 ATOM 3287 C CG . LYS B 1 22 ? -22.039 17.576 23.587 1.00 36.25 ? 21 LYS B CG 1 ATOM 3288 C CD . LYS B 1 22 ? -21.859 16.105 23.249 1.00 38.65 ? 21 LYS B CD 1 ATOM 3289 C CE . LYS B 1 22 ? -23.208 15.427 23.033 1.00 42.95 ? 21 LYS B CE 1 ATOM 3290 N NZ . LYS B 1 22 ? -23.031 14.093 22.405 1.00 45.22 ? 21 LYS B NZ 1 ATOM 3291 N N . LEU B 1 23 ? -22.808 20.389 25.159 1.00 33.11 ? 22 LEU B N 1 ATOM 3292 C CA . LEU B 1 23 ? -23.549 20.906 26.291 1.00 34.15 ? 22 LEU B CA 1 ATOM 3293 C C . LEU B 1 23 ? -24.738 20.030 26.688 1.00 36.11 ? 22 LEU B C 1 ATOM 3294 O O . LEU B 1 23 ? -25.447 19.515 25.827 1.00 37.95 ? 22 LEU B O 1 ATOM 3295 C CB . LEU B 1 23 ? -24.093 22.295 25.959 1.00 33.93 ? 22 LEU B CB 1 ATOM 3296 C CG . LEU B 1 23 ? -23.123 23.305 25.355 1.00 33.19 ? 22 LEU B CG 1 ATOM 3297 C CD1 . LEU B 1 23 ? -23.864 24.594 25.047 1.00 33.67 ? 22 LEU B CD1 1 ATOM 3298 C CD2 . LEU B 1 23 ? -21.938 23.549 26.283 1.00 31.38 ? 22 LEU B CD2 1 ATOM 3299 N N . ASP B 1 24 ? -24.942 19.903 27.998 1.00 36.91 ? 23 ASP B N 1 ATOM 3300 C CA . ASP B 1 24 ? -26.218 19.434 28.587 1.00 38.76 ? 23 ASP B CA 1 ATOM 3301 C C . ASP B 1 24 ? -26.338 20.090 29.966 1.00 38.44 ? 23 ASP B C 1 ATOM 3302 O O . ASP B 1 24 ? -26.187 19.443 30.999 1.00 38.54 ? 23 ASP B O 1 ATOM 3303 C CB . ASP B 1 24 ? -26.238 17.902 28.678 1.00 39.67 ? 23 ASP B CB 1 ATOM 3304 C CG . ASP B 1 24 ? -27.606 17.350 29.072 1.00 42.68 ? 23 ASP B CG 1 ATOM 3305 O OD1 . ASP B 1 24 ? -28.585 18.128 29.178 1.00 43.48 ? 23 ASP B OD1 1 ATOM 3306 O OD2 . ASP B 1 24 ? -27.703 16.120 29.258 1.00 44.99 ? 23 ASP B OD2 1 ATOM 3307 N N . LYS B 1 25 ? -26.569 21.401 29.965 1.00 37.97 ? 24 LYS B N 1 ATOM 3308 C CA . LYS B 1 25 ? -26.433 22.226 31.160 1.00 37.65 ? 24 LYS B CA 1 ATOM 3309 C C . LYS B 1 25 ? -27.745 22.258 31.939 1.00 40.54 ? 24 LYS B C 1 ATOM 3310 O O . LYS B 1 25 ? -28.806 22.308 31.332 1.00 40.16 ? 24 LYS B O 1 ATOM 3311 C CB . LYS B 1 25 ? -26.065 23.657 30.764 1.00 36.56 ? 24 LYS B CB 1 ATOM 3312 C CG . LYS B 1 25 ? -24.743 23.778 30.003 1.00 35.26 ? 24 LYS B CG 1 ATOM 3313 C CD . LYS B 1 25 ? -24.666 25.076 29.208 1.00 35.98 ? 24 LYS B CD 1 ATOM 3314 C CE . LYS B 1 25 ? -24.533 26.319 30.076 1.00 35.65 ? 24 LYS B CE 1 ATOM 3315 N NZ . LYS B 1 25 ? -23.201 26.483 30.705 1.00 35.75 ? 24 LYS B NZ 1 ATOM 3316 N N . PRO B 1 26 ? -27.673 22.273 33.280 1.00 41.91 ? 25 PRO B N 1 ATOM 3317 C CA . PRO B 1 26 ? -28.903 22.404 34.064 1.00 44.12 ? 25 PRO B CA 1 ATOM 3318 C C . PRO B 1 26 ? -29.539 23.793 33.980 1.00 45.09 ? 25 PRO B C 1 ATOM 3319 O O . PRO B 1 26 ? -30.764 23.905 34.035 1.00 43.14 ? 25 PRO B O 1 ATOM 3320 C CB . PRO B 1 26 ? -28.452 22.103 35.498 1.00 44.46 ? 25 PRO B CB 1 ATOM 3321 C CG . PRO B 1 26 ? -26.987 22.309 35.507 1.00 43.13 ? 25 PRO B CG 1 ATOM 3322 C CD . PRO B 1 26 ? -26.492 22.030 34.125 1.00 41.40 ? 25 PRO B CD 1 ATOM 3323 N N . THR B 1 27 ? -28.719 24.832 33.854 1.00 43.77 ? 26 THR B N 1 ATOM 3324 C CA . THR B 1 27 ? -29.208 26.213 33.750 1.00 46.18 ? 26 THR B CA 1 ATOM 3325 C C . THR B 1 27 ? -28.351 27.018 32.781 1.00 45.45 ? 26 THR B C 1 ATOM 3326 O O . THR B 1 27 ? -27.191 26.654 32.522 1.00 43.30 ? 26 THR B O 1 ATOM 3327 C CB . THR B 1 27 ? -29.172 26.939 35.117 1.00 47.63 ? 26 THR B CB 1 ATOM 3328 O OG1 . THR B 1 27 ? -27.823 27.021 35.587 1.00 48.74 ? 26 THR B OG1 1 ATOM 3329 C CG2 . THR B 1 27 ? -29.998 26.215 36.149 1.00 49.33 ? 26 THR B CG2 1 ATOM 3330 N N . VAL B 1 28 ? -28.907 28.118 32.270 1.00 45.00 ? 27 VAL B N 1 ATOM 3331 C CA . VAL B 1 28 ? -28.136 29.068 31.452 1.00 45.61 ? 27 VAL B CA 1 ATOM 3332 C C . VAL B 1 28 ? -28.259 30.491 32.003 1.00 46.91 ? 27 VAL B C 1 ATOM 3333 O O . VAL B 1 28 ? -29.201 30.801 32.718 1.00 48.13 ? 27 VAL B O 1 ATOM 3334 C CB . VAL B 1 28 ? -28.572 29.055 29.971 1.00 45.87 ? 27 VAL B CB 1 ATOM 3335 C CG1 . VAL B 1 28 ? -28.085 27.784 29.283 1.00 46.03 ? 27 VAL B CG1 1 ATOM 3336 C CG2 . VAL B 1 28 ? -30.083 29.211 29.829 1.00 46.36 ? 27 VAL B CG2 1 ATOM 3337 N N . VAL B 1 29 ? -27.310 31.356 31.661 1.00 46.30 ? 28 VAL B N 1 ATOM 3338 C CA . VAL B 1 29 ? -27.311 32.735 32.159 1.00 46.46 ? 28 VAL B CA 1 ATOM 3339 C C . VAL B 1 29 ? -28.271 33.685 31.411 1.00 48.63 ? 28 VAL B C 1 ATOM 3340 O O . VAL B 1 29 ? -28.677 34.691 31.974 1.00 51.64 ? 28 VAL B O 1 ATOM 3341 C CB . VAL B 1 29 ? -25.883 33.335 32.205 1.00 45.81 ? 28 VAL B CB 1 ATOM 3342 C CG1 . VAL B 1 29 ? -24.976 32.482 33.088 1.00 44.98 ? 28 VAL B CG1 1 ATOM 3343 C CG2 . VAL B 1 29 ? -25.279 33.482 30.816 1.00 46.10 ? 28 VAL B CG2 1 ATOM 3344 N N . HIS B 1 30 ? -28.589 33.385 30.154 1.00 49.23 ? 29 HIS B N 1 ATOM 3345 C CA . HIS B 1 30 ? -29.594 34.111 29.368 1.00 51.64 ? 29 HIS B CA 1 ATOM 3346 C C . HIS B 1 30 ? -30.421 33.099 28.583 1.00 54.12 ? 29 HIS B C 1 ATOM 3347 O O . HIS B 1 30 ? -29.908 32.026 28.217 1.00 52.26 ? 29 HIS B O 1 ATOM 3348 C CB . HIS B 1 30 ? -28.968 35.073 28.343 1.00 50.86 ? 29 HIS B CB 1 ATOM 3349 C CG . HIS B 1 30 ? -28.051 36.095 28.929 1.00 50.61 ? 29 HIS B CG 1 ATOM 3350 N ND1 . HIS B 1 30 ? -28.436 36.955 29.934 1.00 51.21 ? 29 HIS B ND1 1 ATOM 3351 C CD2 . HIS B 1 30 ? -26.764 36.409 28.638 1.00 48.68 ? 29 HIS B CD2 1 ATOM 3352 C CE1 . HIS B 1 30 ? -27.420 37.739 30.255 1.00 50.76 ? 29 HIS B CE1 1 ATOM 3353 N NE2 . HIS B 1 30 ? -26.391 37.424 29.487 1.00 49.14 ? 29 HIS B NE2 1 ATOM 3354 N N . TYR B 1 31 ? -31.680 33.455 28.301 1.00 57.20 ? 30 TYR B N 1 ATOM 3355 C CA . TYR B 1 31 ? -32.580 32.607 27.507 1.00 59.09 ? 30 TYR B CA 1 ATOM 3356 C C . TYR B 1 31 ? -32.032 32.330 26.111 1.00 57.91 ? 30 TYR B C 1 ATOM 3357 O O . TYR B 1 31 ? -32.281 31.266 25.545 1.00 58.75 ? 30 TYR B O 1 ATOM 3358 C CB . TYR B 1 31 ? -34.007 33.224 27.365 1.00 64.09 ? 30 TYR B CB 1 ATOM 3359 C CG . TYR B 1 31 ? -34.971 33.005 28.506 1.00 66.11 ? 30 TYR B CG 1 ATOM 3360 C CD1 . TYR B 1 31 ? -35.570 31.762 28.700 1.00 66.55 ? 30 TYR B CD1 1 ATOM 3361 C CD2 . TYR B 1 31 ? -35.348 34.061 29.351 1.00 68.51 ? 30 TYR B CD2 1 ATOM 3362 C CE1 . TYR B 1 31 ? -36.479 31.561 29.729 1.00 68.29 ? 30 TYR B CE1 1 ATOM 3363 C CE2 . TYR B 1 31 ? -36.261 33.872 30.380 1.00 68.84 ? 30 TYR B CE2 1 ATOM 3364 C CZ . TYR B 1 31 ? -36.820 32.624 30.568 1.00 68.76 ? 30 TYR B CZ 1 ATOM 3365 O OH . TYR B 1 31 ? -37.720 32.437 31.594 1.00 71.37 ? 30 TYR B OH 1 ATOM 3366 N N . LEU B 1 32 ? -31.243 33.248 25.562 1.00 58.16 ? 31 LEU B N 1 ATOM 3367 C CA . LEU B 1 32 ? -30.665 33.019 24.232 1.00 58.62 ? 31 LEU B CA 1 ATOM 3368 C C . LEU B 1 32 ? -29.476 32.025 24.223 1.00 54.83 ? 31 LEU B C 1 ATOM 3369 O O . LEU B 1 32 ? -29.016 31.645 23.151 1.00 54.55 ? 31 LEU B O 1 ATOM 3370 C CB . LEU B 1 32 ? -30.304 34.344 23.539 1.00 60.35 ? 31 LEU B CB 1 ATOM 3371 C CG . LEU B 1 32 ? -29.442 35.378 24.270 1.00 62.04 ? 31 LEU B CG 1 ATOM 3372 C CD1 . LEU B 1 32 ? -28.000 34.901 24.373 1.00 61.99 ? 31 LEU B CD1 1 ATOM 3373 C CD2 . LEU B 1 32 ? -29.511 36.725 23.573 1.00 63.32 ? 31 LEU B CD2 1 ATOM 3374 N N . CYS B 1 33 ? -28.997 31.590 25.391 1.00 52.09 ? 32 CYS B N 1 ATOM 3375 C CA . CYS B 1 33 ? -27.911 30.586 25.462 1.00 50.77 ? 32 CYS B CA 1 ATOM 3376 C C . CYS B 1 33 ? -28.470 29.166 25.269 1.00 50.35 ? 32 CYS B C 1 ATOM 3377 O O . CYS B 1 33 ? -29.477 28.818 25.876 1.00 52.49 ? 32 CYS B O 1 ATOM 3378 C CB . CYS B 1 33 ? -27.193 30.630 26.825 1.00 49.09 ? 32 CYS B CB 1 ATOM 3379 S SG . CYS B 1 33 ? -26.522 32.210 27.416 1.00 50.51 ? 32 CYS B SG 1 ATOM 3380 N N . SER B 1 34 ? -27.813 28.335 24.461 1.00 48.59 ? 33 SER B N 1 ATOM 3381 C CA . SER B 1 34 ? -28.228 26.931 24.334 1.00 48.34 ? 33 SER B CA 1 ATOM 3382 C C . SER B 1 34 ? -27.930 26.142 25.616 1.00 46.12 ? 33 SER B C 1 ATOM 3383 O O . SER B 1 34 ? -26.839 26.246 26.188 1.00 43.45 ? 33 SER B O 1 ATOM 3384 C CB . SER B 1 34 ? -27.522 26.253 23.168 1.00 49.50 ? 33 SER B CB 1 ATOM 3385 O OG . SER B 1 34 ? -27.874 26.831 21.924 1.00 52.08 ? 33 SER B OG 1 ATOM 3386 N N . LYS B 1 35 ? -28.905 25.355 26.053 1.00 45.17 ? 34 LYS B N 1 ATOM 3387 C CA . LYS B 1 35 ? -28.745 24.442 27.187 1.00 44.66 ? 34 LYS B CA 1 ATOM 3388 C C . LYS B 1 35 ? -28.109 23.132 26.781 1.00 43.29 ? 34 LYS B C 1 ATOM 3389 O O . LYS B 1 35 ? -27.355 22.531 27.542 1.00 42.79 ? 34 LYS B O 1 ATOM 3390 C CB . LYS B 1 35 ? -30.102 24.090 27.799 1.00 47.39 ? 34 LYS B CB 1 ATOM 3391 C CG . LYS B 1 35 ? -30.427 24.827 29.066 1.00 48.43 ? 34 LYS B CG 1 ATOM 3392 C CD . LYS B 1 35 ? -31.727 24.308 29.659 1.00 49.94 ? 34 LYS B CD 1 ATOM 3393 C CE . LYS B 1 35 ? -31.752 24.587 31.138 1.00 51.17 ? 34 LYS B CE 1 ATOM 3394 N NZ . LYS B 1 35 ? -33.076 24.248 31.733 1.00 52.88 ? 34 LYS B NZ 1 ATOM 3395 N N . LYS B 1 36 ? -28.437 22.677 25.584 1.00 43.29 ? 35 LYS B N 1 ATOM 3396 C CA . LYS B 1 36 ? -28.109 21.336 25.165 1.00 44.38 ? 35 LYS B CA 1 ATOM 3397 C C . LYS B 1 36 ? -27.731 21.351 23.695 1.00 44.52 ? 35 LYS B C 1 ATOM 3398 O O . LYS B 1 36 ? -28.372 22.024 22.891 1.00 46.75 ? 35 LYS B O 1 ATOM 3399 C CB . LYS B 1 36 ? -29.329 20.440 25.380 1.00 47.91 ? 35 LYS B CB 1 ATOM 3400 C CG . LYS B 1 36 ? -29.069 18.958 25.215 1.00 49.48 ? 35 LYS B CG 1 ATOM 3401 C CD . LYS B 1 36 ? -30.350 18.180 25.483 1.00 53.92 ? 35 LYS B CD 1 ATOM 3402 C CE . LYS B 1 36 ? -30.235 16.733 25.077 1.00 55.47 ? 35 LYS B CE 1 ATOM 3403 N NZ . LYS B 1 36 ? -29.204 16.008 25.863 1.00 56.41 ? 35 LYS B NZ 1 ATOM 3404 N N . THR B 1 37 ? -26.691 20.609 23.344 1.00 41.45 ? 36 THR B N 1 ATOM 3405 C CA . THR B 1 37 ? -26.350 20.390 21.938 1.00 42.27 ? 36 THR B CA 1 ATOM 3406 C C . THR B 1 37 ? -26.234 18.894 21.707 1.00 44.46 ? 36 THR B C 1 ATOM 3407 O O . THR B 1 37 ? -25.787 18.160 22.588 1.00 43.30 ? 36 THR B O 1 ATOM 3408 C CB . THR B 1 37 ? -25.017 21.085 21.541 1.00 39.03 ? 36 THR B CB 1 ATOM 3409 O OG1 . THR B 1 37 ? -23.931 20.518 22.287 1.00 36.33 ? 36 THR B OG1 1 ATOM 3410 C CG2 . THR B 1 37 ? -25.093 22.580 21.809 1.00 38.74 ? 36 THR B CG2 1 ATOM 3411 N N . GLU B 1 38 ? -26.624 18.443 20.520 1.00 49.14 ? 37 GLU B N 1 ATOM 3412 C CA . GLU B 1 38 ? -26.530 17.016 20.183 1.00 52.75 ? 37 GLU B CA 1 ATOM 3413 C C . GLU B 1 38 ? -25.118 16.589 19.807 1.00 48.46 ? 37 GLU B C 1 ATOM 3414 O O . GLU B 1 38 ? -24.773 15.412 19.919 1.00 49.20 ? 37 GLU B O 1 ATOM 3415 C CB . GLU B 1 38 ? -27.510 16.664 19.059 1.00 57.49 ? 37 GLU B CB 1 ATOM 3416 C CG . GLU B 1 38 ? -28.960 16.966 19.416 1.00 65.12 ? 37 GLU B CG 1 ATOM 3417 C CD . GLU B 1 38 ? -29.429 16.265 20.694 1.00 71.34 ? 37 GLU B CD 1 ATOM 3418 O OE1 . GLU B 1 38 ? -29.046 15.088 20.911 1.00 76.92 ? 37 GLU B OE1 1 ATOM 3419 O OE2 . GLU B 1 38 ? -30.177 16.890 21.489 1.00 75.33 ? 37 GLU B OE2 1 ATOM 3420 N N . SER B 1 39 ? -24.287 17.537 19.392 1.00 45.73 ? 38 SER B N 1 ATOM 3421 C CA . SER B 1 39 ? -22.888 17.234 19.070 1.00 43.20 ? 38 SER B CA 1 ATOM 3422 C C . SER B 1 39 ? -21.977 18.357 19.532 1.00 39.30 ? 38 SER B C 1 ATOM 3423 O O . SER B 1 39 ? -22.430 19.348 20.106 1.00 38.42 ? 38 SER B O 1 ATOM 3424 C CB . SER B 1 39 ? -22.735 17.029 17.571 1.00 46.14 ? 38 SER B CB 1 ATOM 3425 O OG . SER B 1 39 ? -23.150 18.200 16.897 1.00 49.12 ? 38 SER B OG 1 ATOM 3426 N N . TYR B 1 40 ? -20.682 18.171 19.325 1.00 36.77 ? 39 TYR B N 1 ATOM 3427 C CA . TYR B 1 40 ? -19.698 19.190 19.642 1.00 34.80 ? 39 TYR B CA 1 ATOM 3428 C C . TYR B 1 40 ? -19.781 20.327 18.633 1.00 35.50 ? 39 TYR B C 1 ATOM 3429 O O . TYR B 1 40 ? -20.127 20.105 17.473 1.00 36.22 ? 39 TYR B O 1 ATOM 3430 C CB . TYR B 1 40 ? -18.291 18.600 19.662 1.00 33.29 ? 39 TYR B CB 1 ATOM 3431 C CG . TYR B 1 40 ? -18.021 17.773 20.891 1.00 33.02 ? 39 TYR B CG 1 ATOM 3432 C CD1 . TYR B 1 40 ? -18.420 16.437 20.957 1.00 34.83 ? 39 TYR B CD1 1 ATOM 3433 C CD2 . TYR B 1 40 ? -17.399 18.326 22.001 1.00 31.88 ? 39 TYR B CD2 1 ATOM 3434 C CE1 . TYR B 1 40 ? -18.185 15.680 22.097 1.00 34.52 ? 39 TYR B CE1 1 ATOM 3435 C CE2 . TYR B 1 40 ? -17.167 17.578 23.141 1.00 32.22 ? 39 TYR B CE2 1 ATOM 3436 C CZ . TYR B 1 40 ? -17.565 16.258 23.178 1.00 34.08 ? 39 TYR B CZ 1 ATOM 3437 O OH . TYR B 1 40 ? -17.318 15.518 24.301 1.00 35.51 ? 39 TYR B OH 1 ATOM 3438 N N . PHE B 1 41 ? -19.517 21.547 19.093 1.00 33.12 ? 40 PHE B N 1 ATOM 3439 C CA . PHE B 1 41 ? -19.428 22.708 18.220 1.00 32.11 ? 40 PHE B CA 1 ATOM 3440 C C . PHE B 1 41 ? -18.149 23.441 18.559 1.00 29.83 ? 40 PHE B C 1 ATOM 3441 O O . PHE B 1 41 ? -17.595 23.255 19.653 1.00 27.68 ? 40 PHE B O 1 ATOM 3442 C CB . PHE B 1 41 ? -20.642 23.632 18.388 1.00 33.01 ? 40 PHE B CB 1 ATOM 3443 C CG . PHE B 1 41 ? -20.748 24.281 19.747 1.00 33.48 ? 40 PHE B CG 1 ATOM 3444 C CD1 . PHE B 1 41 ? -21.340 23.609 20.815 1.00 34.11 ? 40 PHE B CD1 1 ATOM 3445 C CD2 . PHE B 1 41 ? -20.291 25.582 19.955 1.00 32.54 ? 40 PHE B CD2 1 ATOM 3446 C CE1 . PHE B 1 41 ? -21.444 24.197 22.064 1.00 33.91 ? 40 PHE B CE1 1 ATOM 3447 C CE2 . PHE B 1 41 ? -20.377 26.169 21.203 1.00 32.89 ? 40 PHE B CE2 1 ATOM 3448 C CZ . PHE B 1 41 ? -20.963 25.481 22.265 1.00 33.80 ? 40 PHE B CZ 1 ATOM 3449 N N . THR B 1 42 ? -17.684 24.283 17.643 1.00 28.90 ? 41 THR B N 1 ATOM 3450 C CA . THR B 1 42 ? -16.441 25.034 17.878 1.00 27.67 ? 41 THR B CA 1 ATOM 3451 C C . THR B 1 42 ? -16.681 26.170 18.869 1.00 27.87 ? 41 THR B C 1 ATOM 3452 O O . THR B 1 42 ? -17.475 27.080 18.608 1.00 28.88 ? 41 THR B O 1 ATOM 3453 C CB . THR B 1 42 ? -15.879 25.577 16.543 1.00 27.65 ? 41 THR B CB 1 ATOM 3454 O OG1 . THR B 1 42 ? -15.618 24.471 15.673 1.00 26.79 ? 41 THR B OG1 1 ATOM 3455 C CG2 . THR B 1 42 ? -14.592 26.369 16.765 1.00 27.04 ? 41 THR B CG2 1 ATOM 3456 N N . ILE B 1 43 ? -16.000 26.113 20.014 1.00 26.30 ? 42 ILE B N 1 ATOM 3457 C CA . ILE B 1 43 ? -16.097 27.170 21.028 1.00 26.32 ? 42 ILE B CA 1 ATOM 3458 C C . ILE B 1 43 ? -14.945 28.180 20.953 1.00 25.07 ? 42 ILE B C 1 ATOM 3459 O O . ILE B 1 43 ? -15.088 29.331 21.388 1.00 25.48 ? 42 ILE B O 1 ATOM 3460 C CB . ILE B 1 43 ? -16.304 26.567 22.443 1.00 27.12 ? 42 ILE B CB 1 ATOM 3461 C CG1 . ILE B 1 43 ? -16.856 27.629 23.391 1.00 28.95 ? 42 ILE B CG1 1 ATOM 3462 C CG2 . ILE B 1 43 ? -15.040 25.907 22.983 1.00 25.73 ? 42 ILE B CG2 1 ATOM 3463 C CD1 . ILE B 1 43 ? -17.388 27.081 24.707 1.00 30.90 ? 42 ILE B CD1 1 ATOM 3464 N N . TRP B 1 44 ? -13.832 27.774 20.353 1.00 23.57 ? 43 TRP B N 1 ATOM 3465 C CA . TRP B 1 44 ? -12.752 28.706 19.970 1.00 22.77 ? 43 TRP B CA 1 ATOM 3466 C C . TRP B 1 44 ? -12.161 28.220 18.643 1.00 22.81 ? 43 TRP B C 1 ATOM 3467 O O . TRP B 1 44 ? -11.804 27.045 18.552 1.00 21.34 ? 43 TRP B O 1 ATOM 3468 C CB . TRP B 1 44 ? -11.654 28.690 21.030 1.00 22.67 ? 43 TRP B CB 1 ATOM 3469 C CG . TRP B 1 44 ? -10.537 29.615 20.733 1.00 22.10 ? 43 TRP B CG 1 ATOM 3470 C CD1 . TRP B 1 44 ? -9.309 29.292 20.209 1.00 22.55 ? 43 TRP B CD1 1 ATOM 3471 C CD2 . TRP B 1 44 ? -10.552 31.028 20.886 1.00 22.61 ? 43 TRP B CD2 1 ATOM 3472 N NE1 . TRP B 1 44 ? -8.549 30.428 20.050 1.00 22.30 ? 43 TRP B NE1 1 ATOM 3473 C CE2 . TRP B 1 44 ? -9.295 31.512 20.444 1.00 23.16 ? 43 TRP B CE2 1 ATOM 3474 C CE3 . TRP B 1 44 ? -11.518 31.948 21.338 1.00 24.56 ? 43 TRP B CE3 1 ATOM 3475 C CZ2 . TRP B 1 44 ? -8.964 32.872 20.484 1.00 23.85 ? 43 TRP B CZ2 1 ATOM 3476 C CZ3 . TRP B 1 44 ? -11.194 33.289 21.375 1.00 24.31 ? 43 TRP B CZ3 1 ATOM 3477 C CH2 . TRP B 1 44 ? -9.921 33.741 20.958 1.00 24.30 ? 43 TRP B CH2 1 ATOM 3478 N N . LEU B 1 45 ? -12.030 29.057 17.611 1.00 24.33 ? 44 LEU B N 1 ATOM 3479 C CA . LEU B 1 45 ? -12.432 30.463 17.559 1.00 26.29 ? 44 LEU B CA 1 ATOM 3480 C C . LEU B 1 45 ? -13.691 30.586 16.702 1.00 28.58 ? 44 LEU B C 1 ATOM 3481 O O . LEU B 1 45 ? -13.716 30.187 15.540 1.00 27.10 ? 44 LEU B O 1 ATOM 3482 C CB . LEU B 1 45 ? -11.302 31.301 16.942 1.00 27.38 ? 44 LEU B CB 1 ATOM 3483 C CG . LEU B 1 45 ? -11.588 32.770 16.605 1.00 29.03 ? 44 LEU B CG 1 ATOM 3484 C CD1 . LEU B 1 45 ? -11.977 33.525 17.865 1.00 28.62 ? 44 LEU B CD1 1 ATOM 3485 C CD2 . LEU B 1 45 ? -10.371 33.410 15.965 1.00 28.98 ? 44 LEU B CD2 1 ATOM 3486 N N . ASN B 1 46 ? -14.741 31.152 17.281 1.00 31.39 ? 45 ASN B N 1 ATOM 3487 C CA . ASN B 1 46 ? -15.941 31.508 16.520 1.00 34.52 ? 45 ASN B CA 1 ATOM 3488 C C . ASN B 1 46 ? -16.370 32.894 16.957 1.00 38.13 ? 45 ASN B C 1 ATOM 3489 O O . ASN B 1 46 ? -16.791 33.110 18.107 1.00 35.28 ? 45 ASN B O 1 ATOM 3490 C CB . ASN B 1 46 ? -17.058 30.512 16.737 1.00 36.89 ? 45 ASN B CB 1 ATOM 3491 C CG . ASN B 1 46 ? -18.355 30.927 16.038 1.00 40.34 ? 45 ASN B CG 1 ATOM 3492 O OD1 . ASN B 1 46 ? -18.506 32.052 15.555 1.00 42.55 ? 45 ASN B OD1 1 ATOM 3493 N ND2 . ASN B 1 46 ? -19.281 30.015 15.973 1.00 41.15 ? 45 ASN B ND2 1 ATOM 3494 N N . LEU B 1 47 ? -16.248 33.831 16.024 1.00 44.34 ? 46 LEU B N 1 ATOM 3495 C CA . LEU B 1 47 ? -16.440 35.250 16.310 1.00 49.60 ? 46 LEU B CA 1 ATOM 3496 C C . LEU B 1 47 ? -17.865 35.572 16.743 1.00 49.29 ? 46 LEU B C 1 ATOM 3497 O O . LEU B 1 47 ? -18.094 36.494 17.509 1.00 52.19 ? 46 LEU B O 1 ATOM 3498 C CB . LEU B 1 47 ? -16.082 36.081 15.077 1.00 53.25 ? 46 LEU B CB 1 ATOM 3499 C CG . LEU B 1 47 ? -14.619 36.015 14.634 1.00 54.89 ? 46 LEU B CG 1 ATOM 3500 C CD1 . LEU B 1 47 ? -14.479 36.765 13.314 1.00 58.46 ? 46 LEU B CD1 1 ATOM 3501 C CD2 . LEU B 1 47 ? -13.716 36.598 15.710 1.00 53.98 ? 46 LEU B CD2 1 ATOM 3502 N N . GLU B 1 48 ? -18.820 34.796 16.273 1.00 51.35 ? 47 GLU B N 1 ATOM 3503 C CA . GLU B 1 48 ? -20.217 35.066 16.596 1.00 55.37 ? 47 GLU B CA 1 ATOM 3504 C C . GLU B 1 48 ? -20.561 34.797 18.064 1.00 52.22 ? 47 GLU B C 1 ATOM 3505 O O . GLU B 1 48 ? -21.557 35.308 18.563 1.00 50.51 ? 47 GLU B O 1 ATOM 3506 C CB . GLU B 1 48 ? -21.123 34.268 15.673 1.00 60.21 ? 47 GLU B CB 1 ATOM 3507 C CG . GLU B 1 48 ? -21.019 34.754 14.238 1.00 66.34 ? 47 GLU B CG 1 ATOM 3508 C CD . GLU B 1 48 ? -21.921 34.003 13.294 1.00 71.41 ? 47 GLU B CD 1 ATOM 3509 O OE1 . GLU B 1 48 ? -22.218 32.817 13.563 1.00 76.38 ? 47 GLU B OE1 1 ATOM 3510 O OE2 . GLU B 1 48 ? -22.319 34.601 12.273 1.00 79.28 ? 47 GLU B OE2 1 ATOM 3511 N N . LEU B 1 49 ? -19.721 34.030 18.761 1.00 46.19 ? 48 LEU B N 1 ATOM 3512 C CA . LEU B 1 49 ? -19.951 33.741 20.176 1.00 42.41 ? 48 LEU B CA 1 ATOM 3513 C C . LEU B 1 49 ? -19.448 34.859 21.083 1.00 40.73 ? 48 LEU B C 1 ATOM 3514 O O . LEU B 1 49 ? -19.709 34.845 22.293 1.00 38.22 ? 48 LEU B O 1 ATOM 3515 C CB . LEU B 1 49 ? -19.276 32.419 20.560 1.00 41.85 ? 48 LEU B CB 1 ATOM 3516 C CG . LEU B 1 49 ? -19.606 31.194 19.707 1.00 42.14 ? 48 LEU B CG 1 ATOM 3517 C CD1 . LEU B 1 49 ? -18.850 29.985 20.235 1.00 41.11 ? 48 LEU B CD1 1 ATOM 3518 C CD2 . LEU B 1 49 ? -21.105 30.913 19.663 1.00 44.55 ? 48 LEU B CD2 1 ATOM 3519 N N . LEU B 1 50 ? -18.708 35.812 20.513 1.00 41.42 ? 49 LEU B N 1 ATOM 3520 C CA . LEU B 1 50 ? -18.064 36.873 21.287 1.00 42.99 ? 49 LEU B CA 1 ATOM 3521 C C . LEU B 1 50 ? -18.810 38.225 21.236 1.00 43.64 ? 49 LEU B C 1 ATOM 3522 O O . LEU B 1 50 ? -18.364 39.204 21.835 1.00 44.71 ? 49 LEU B O 1 ATOM 3523 C CB . LEU B 1 50 ? -16.611 37.035 20.812 1.00 43.26 ? 49 LEU B CB 1 ATOM 3524 C CG . LEU B 1 50 ? -15.807 35.717 20.732 1.00 43.62 ? 49 LEU B CG 1 ATOM 3525 C CD1 . LEU B 1 50 ? -14.405 35.923 20.166 1.00 42.07 ? 49 LEU B CD1 1 ATOM 3526 C CD2 . LEU B 1 50 ? -15.727 35.083 22.109 1.00 42.25 ? 49 LEU B CD2 1 ATOM 3527 N N . LEU B 1 51 ? -19.945 38.271 20.551 1.00 46.43 ? 50 LEU B N 1 ATOM 3528 C CA . LEU B 1 51 ? -20.742 39.508 20.454 1.00 48.91 ? 50 LEU B CA 1 ATOM 3529 C C . LEU B 1 51 ? -21.360 39.877 21.812 1.00 48.64 ? 50 LEU B C 1 ATOM 3530 O O . LEU B 1 51 ? -21.498 39.016 22.684 1.00 46.40 ? 50 LEU B O 1 ATOM 3531 C CB . LEU B 1 51 ? -21.837 39.330 19.415 1.00 51.44 ? 50 LEU B CB 1 ATOM 3532 C CG . LEU B 1 51 ? -21.362 39.066 17.975 1.00 54.76 ? 50 LEU B CG 1 ATOM 3533 C CD1 . LEU B 1 51 ? -22.481 38.492 17.114 1.00 55.14 ? 50 LEU B CD1 1 ATOM 3534 C CD2 . LEU B 1 51 ? -20.794 40.333 17.350 1.00 55.77 ? 50 LEU B CD2 1 ATOM 3535 N N . PRO B 1 52 ? -21.718 41.162 22.013 1.00 48.86 ? 51 PRO B N 1 ATOM 3536 C CA . PRO B 1 52 ? -22.335 41.553 23.285 1.00 47.44 ? 51 PRO B CA 1 ATOM 3537 C C . PRO B 1 52 ? -23.512 40.642 23.665 1.00 45.65 ? 51 PRO B C 1 ATOM 3538 O O . PRO B 1 52 ? -24.230 40.177 22.779 1.00 46.16 ? 51 PRO B O 1 ATOM 3539 C CB . PRO B 1 52 ? -22.830 42.983 23.012 1.00 51.06 ? 51 PRO B CB 1 ATOM 3540 C CG . PRO B 1 52 ? -21.937 43.498 21.933 1.00 51.61 ? 51 PRO B CG 1 ATOM 3541 C CD . PRO B 1 52 ? -21.544 42.310 21.100 1.00 50.92 ? 51 PRO B CD 1 ATOM 3542 N N . VAL B 1 53 ? -23.670 40.384 24.963 1.00 44.49 ? 52 VAL B N 1 ATOM 3543 C CA . VAL B 1 53 ? -24.712 39.503 25.532 1.00 46.45 ? 52 VAL B CA 1 ATOM 3544 C C . VAL B 1 53 ? -24.451 38.015 25.288 1.00 45.01 ? 52 VAL B C 1 ATOM 3545 O O . VAL B 1 53 ? -24.351 37.239 26.236 1.00 43.66 ? 52 VAL B O 1 ATOM 3546 C CB . VAL B 1 53 ? -26.141 39.868 25.059 1.00 49.82 ? 52 VAL B CB 1 ATOM 3547 C CG1 . VAL B 1 53 ? -27.186 39.038 25.803 1.00 50.96 ? 52 VAL B CG1 1 ATOM 3548 C CG2 . VAL B 1 53 ? -26.400 41.352 25.286 1.00 50.55 ? 52 VAL B CG2 1 ATOM 3549 N N . ILE B 1 54 ? -24.335 37.618 24.028 1.00 44.02 ? 53 ILE B N 1 ATOM 3550 C CA . ILE B 1 54 ? -23.966 36.238 23.722 1.00 44.53 ? 53 ILE B CA 1 ATOM 3551 C C . ILE B 1 54 ? -22.621 35.856 24.357 1.00 41.14 ? 53 ILE B C 1 ATOM 3552 O O . ILE B 1 54 ? -22.413 34.700 24.706 1.00 39.96 ? 53 ILE B O 1 ATOM 3553 C CB . ILE B 1 54 ? -23.958 35.939 22.234 1.00 46.97 ? 53 ILE B CB 1 ATOM 3554 C CG1 . ILE B 1 54 ? -23.646 34.450 22.010 1.00 47.60 ? 53 ILE B CG1 1 ATOM 3555 C CG2 . ILE B 1 54 ? -22.916 36.796 21.584 1.00 48.06 ? 53 ILE B CG2 1 ATOM 3556 C CD1 . ILE B 1 54 ? -23.937 33.934 20.625 1.00 49.81 ? 53 ILE B CD1 1 ATOM 3557 N N . ILE B 1 55 ? -21.715 36.819 24.508 1.00 38.88 ? 54 ILE B N 1 ATOM 3558 C CA . ILE B 1 55 ? -20.433 36.537 25.141 1.00 36.71 ? 54 ILE B CA 1 ATOM 3559 C C . ILE B 1 55 ? -20.594 35.985 26.569 1.00 35.11 ? 54 ILE B C 1 ATOM 3560 O O . ILE B 1 55 ? -19.727 35.255 27.044 1.00 30.64 ? 54 ILE B O 1 ATOM 3561 C CB . ILE B 1 55 ? -19.480 37.760 25.141 1.00 38.61 ? 54 ILE B CB 1 ATOM 3562 C CG1 . ILE B 1 55 ? -18.059 37.322 25.535 1.00 39.88 ? 54 ILE B CG1 1 ATOM 3563 C CG2 . ILE B 1 55 ? -19.982 38.853 26.070 1.00 39.71 ? 54 ILE B CG2 1 ATOM 3564 C CD1 . ILE B 1 55 ? -16.944 38.189 24.981 1.00 42.43 ? 54 ILE B CD1 1 ATOM 3565 N N . ASP B 1 56 ? -21.694 36.317 27.249 1.00 34.69 ? 55 ASP B N 1 ATOM 3566 C CA . ASP B 1 56 ? -21.931 35.754 28.585 1.00 34.65 ? 55 ASP B CA 1 ATOM 3567 C C . ASP B 1 56 ? -22.151 34.232 28.520 1.00 34.09 ? 55 ASP B C 1 ATOM 3568 O O . ASP B 1 56 ? -21.713 33.505 29.429 1.00 32.98 ? 55 ASP B O 1 ATOM 3569 C CB . ASP B 1 56 ? -23.142 36.399 29.272 1.00 36.71 ? 55 ASP B CB 1 ATOM 3570 C CG . ASP B 1 56 ? -22.945 37.880 29.562 1.00 38.59 ? 55 ASP B CG 1 ATOM 3571 O OD1 . ASP B 1 56 ? -21.809 38.307 29.875 1.00 38.26 ? 55 ASP B OD1 1 ATOM 3572 O OD2 . ASP B 1 56 ? -23.953 38.621 29.474 1.00 39.96 ? 55 ASP B OD2 1 ATOM 3573 N N . CYS B 1 57 ? -22.818 33.770 27.458 1.00 34.10 ? 56 CYS B N 1 ATOM 3574 C CA . CYS B 1 57 ? -22.987 32.336 27.197 1.00 35.53 ? 56 CYS B CA 1 ATOM 3575 C C . CYS B 1 57 ? -21.627 31.658 26.983 1.00 32.42 ? 56 CYS B C 1 ATOM 3576 O O . CYS B 1 57 ? -21.345 30.600 27.542 1.00 31.55 ? 56 CYS B O 1 ATOM 3577 C CB . CYS B 1 57 ? -23.841 32.087 25.956 1.00 39.19 ? 56 CYS B CB 1 ATOM 3578 S SG . CYS B 1 57 ? -25.417 32.985 25.878 1.00 46.52 ? 56 CYS B SG 1 ATOM 3579 N N . TRP B 1 58 ? -20.783 32.296 26.177 1.00 30.47 ? 57 TRP B N 1 ATOM 3580 C CA . TRP B 1 58 ? -19.440 31.790 25.889 1.00 29.02 ? 57 TRP B CA 1 ATOM 3581 C C . TRP B 1 58 ? -18.607 31.683 27.157 1.00 27.44 ? 57 TRP B C 1 ATOM 3582 O O . TRP B 1 58 ? -18.007 30.644 27.417 1.00 26.87 ? 57 TRP B O 1 ATOM 3583 C CB . TRP B 1 58 ? -18.761 32.696 24.861 1.00 28.32 ? 57 TRP B CB 1 ATOM 3584 C CG . TRP B 1 58 ? -17.400 32.288 24.465 1.00 27.36 ? 57 TRP B CG 1 ATOM 3585 C CD1 . TRP B 1 58 ? -17.060 31.291 23.576 1.00 26.84 ? 57 TRP B CD1 1 ATOM 3586 C CD2 . TRP B 1 58 ? -16.173 32.854 24.910 1.00 26.57 ? 57 TRP B CD2 1 ATOM 3587 N NE1 . TRP B 1 58 ? -15.712 31.220 23.452 1.00 26.27 ? 57 TRP B NE1 1 ATOM 3588 C CE2 . TRP B 1 58 ? -15.134 32.171 24.246 1.00 25.55 ? 57 TRP B CE2 1 ATOM 3589 C CE3 . TRP B 1 58 ? -15.845 33.889 25.782 1.00 26.39 ? 57 TRP B CE3 1 ATOM 3590 C CZ2 . TRP B 1 58 ? -13.791 32.476 24.447 1.00 25.35 ? 57 TRP B CZ2 1 ATOM 3591 C CZ3 . TRP B 1 58 ? -14.513 34.186 25.988 1.00 25.62 ? 57 TRP B CZ3 1 ATOM 3592 C CH2 . TRP B 1 58 ? -13.503 33.477 25.330 1.00 24.72 ? 57 TRP B CH2 1 ATOM 3593 N N . ILE B 1 59 ? -18.565 32.760 27.938 1.00 27.67 ? 58 ILE B N 1 ATOM 3594 C CA A ILE B 1 59 ? -17.833 32.770 29.197 0.50 27.78 ? 58 ILE B CA 1 ATOM 3595 C CA B ILE B 1 59 ? -17.836 32.780 29.201 0.50 27.46 ? 58 ILE B CA 1 ATOM 3596 C C . ILE B 1 59 ? -18.329 31.646 30.108 1.00 28.68 ? 58 ILE B C 1 ATOM 3597 O O . ILE B 1 59 ? -17.524 30.931 30.722 1.00 27.50 ? 58 ILE B O 1 ATOM 3598 C CB A ILE B 1 59 ? -17.948 34.134 29.922 0.50 29.06 ? 58 ILE B CB 1 ATOM 3599 C CB B ILE B 1 59 ? -18.025 34.114 29.982 0.50 28.24 ? 58 ILE B CB 1 ATOM 3600 C CG1 A ILE B 1 59 ? -17.203 35.219 29.108 0.50 29.57 ? 58 ILE B CG1 1 ATOM 3601 C CG1 B ILE B 1 59 ? -17.397 35.324 29.314 0.50 28.38 ? 58 ILE B CG1 1 ATOM 3602 C CG2 A ILE B 1 59 ? -17.375 34.035 31.333 0.50 28.90 ? 58 ILE B CG2 1 ATOM 3603 C CG2 B ILE B 1 59 ? -17.387 34.028 31.352 0.50 28.03 ? 58 ILE B CG2 1 ATOM 3604 C CD1 A ILE B 1 59 ? -17.365 36.648 29.608 0.50 30.39 ? 58 ILE B CD1 1 ATOM 3605 C CD1 B ILE B 1 59 ? -15.922 35.230 29.079 0.50 26.94 ? 58 ILE B CD1 1 ATOM 3606 N N . ASP B 1 60 ? -19.654 31.473 30.189 1.00 28.70 ? 59 ASP B N 1 ATOM 3607 C CA . ASP B 1 60 ? -20.212 30.447 31.057 1.00 29.66 ? 59 ASP B CA 1 ATOM 3608 C C . ASP B 1 60 ? -19.777 29.030 30.648 1.00 29.35 ? 59 ASP B C 1 ATOM 3609 O O . ASP B 1 60 ? -19.737 28.138 31.505 1.00 30.39 ? 59 ASP B O 1 ATOM 3610 C CB . ASP B 1 60 ? -21.761 30.519 31.123 1.00 32.42 ? 59 ASP B CB 1 ATOM 3611 C CG . ASP B 1 60 ? -22.330 29.771 32.329 1.00 34.15 ? 59 ASP B CG 1 ATOM 3612 O OD1 . ASP B 1 60 ? -21.823 29.996 33.440 1.00 36.07 ? 59 ASP B OD1 1 ATOM 3613 O OD2 . ASP B 1 60 ? -23.277 28.964 32.169 1.00 36.29 ? 59 ASP B OD2 1 ATOM 3614 N N . ASN B 1 61 ? -19.488 28.820 29.360 1.00 27.36 ? 60 ASN B N 1 ATOM 3615 C CA . ASN B 1 61 ? -19.075 27.504 28.855 1.00 27.10 ? 60 ASN B CA 1 ATOM 3616 C C . ASN B 1 61 ? -17.561 27.289 28.851 1.00 26.28 ? 60 ASN B C 1 ATOM 3617 O O . ASN B 1 61 ? -17.097 26.164 29.058 1.00 27.02 ? 60 ASN B O 1 ATOM 3618 C CB . ASN B 1 61 ? -19.595 27.280 27.434 1.00 26.89 ? 60 ASN B CB 1 ATOM 3619 C CG . ASN B 1 61 ? -21.102 27.060 27.399 1.00 28.92 ? 60 ASN B CG 1 ATOM 3620 O OD1 . ASN B 1 61 ? -21.672 26.509 28.337 1.00 28.30 ? 60 ASN B OD1 1 ATOM 3621 N ND2 . ASN B 1 61 ? -21.743 27.498 26.327 1.00 28.88 ? 60 ASN B ND2 1 ATOM 3622 N N . ILE B 1 62 ? -16.803 28.342 28.568 1.00 25.05 ? 61 ILE B N 1 ATOM 3623 C CA . ILE B 1 62 ? -15.351 28.197 28.383 1.00 25.25 ? 61 ILE B CA 1 ATOM 3624 C C . ILE B 1 62 ? -14.540 28.479 29.652 1.00 24.26 ? 61 ILE B C 1 ATOM 3625 O O . ILE B 1 62 ? -13.332 28.153 29.719 1.00 23.25 ? 61 ILE B O 1 ATOM 3626 C CB . ILE B 1 62 ? -14.836 29.071 27.219 1.00 26.69 ? 61 ILE B CB 1 ATOM 3627 C CG1 . ILE B 1 62 ? -13.537 28.473 26.646 1.00 27.10 ? 61 ILE B CG1 1 ATOM 3628 C CG2 . ILE B 1 62 ? -14.656 30.516 27.657 1.00 26.97 ? 61 ILE B CG2 1 ATOM 3629 C CD1 . ILE B 1 62 ? -13.109 29.064 25.320 1.00 29.61 ? 61 ILE B CD1 1 ATOM 3630 N N . ARG B 1 63 ? -15.173 29.082 30.657 1.00 23.94 ? 62 ARG B N 1 ATOM 3631 C CA . ARG B 1 63 ? -14.503 29.252 31.945 1.00 24.31 ? 62 ARG B CA 1 ATOM 3632 C C . ARG B 1 63 ? -14.161 27.891 32.547 1.00 24.55 ? 62 ARG B C 1 ATOM 3633 O O . ARG B 1 63 ? -14.864 26.893 32.311 1.00 24.85 ? 62 ARG B O 1 ATOM 3634 C CB . ARG B 1 63 ? -15.378 30.049 32.926 1.00 26.10 ? 62 ARG B CB 1 ATOM 3635 C CG . ARG B 1 63 ? -16.598 29.280 33.437 1.00 27.86 ? 62 ARG B CG 1 ATOM 3636 C CD . ARG B 1 63 ? -17.606 30.183 34.123 1.00 31.08 ? 62 ARG B CD 1 ATOM 3637 N NE . ARG B 1 63 ? -18.826 29.438 34.433 1.00 33.14 ? 62 ARG B NE 1 ATOM 3638 C CZ . ARG B 1 63 ? -19.068 28.782 35.570 1.00 35.59 ? 62 ARG B CZ 1 ATOM 3639 N NH1 . ARG B 1 63 ? -18.186 28.770 36.564 1.00 35.72 ? 62 ARG B NH1 1 ATOM 3640 N NH2 . ARG B 1 63 ? -20.231 28.152 35.721 1.00 38.57 ? 62 ARG B NH2 1 ATOM 3641 N N . LEU B 1 64 ? -13.077 27.857 33.318 1.00 24.34 ? 63 LEU B N 1 ATOM 3642 C CA . LEU B 1 64 ? -12.794 26.745 34.216 1.00 24.20 ? 63 LEU B CA 1 ATOM 3643 C C . LEU B 1 64 ? -13.288 27.069 35.646 1.00 24.89 ? 63 LEU B C 1 ATOM 3644 O O . LEU B 1 64 ? -13.244 28.224 36.086 1.00 24.57 ? 63 LEU B O 1 ATOM 3645 C CB . LEU B 1 64 ? -11.304 26.472 34.243 1.00 22.74 ? 63 LEU B CB 1 ATOM 3646 C CG . LEU B 1 64 ? -10.632 25.970 32.957 1.00 22.99 ? 63 LEU B CG 1 ATOM 3647 C CD1 . LEU B 1 64 ? -9.145 25.836 33.213 1.00 23.00 ? 63 LEU B CD1 1 ATOM 3648 C CD2 . LEU B 1 64 ? -11.224 24.636 32.533 1.00 23.81 ? 63 LEU B CD2 1 ATOM 3649 N N . VAL B 1 65 ? -13.767 26.043 36.350 1.00 24.84 ? 64 VAL B N 1 ATOM 3650 C CA . VAL B 1 65 ? -14.156 26.147 37.753 1.00 26.05 ? 64 VAL B CA 1 ATOM 3651 C C . VAL B 1 65 ? -12.980 25.665 38.607 1.00 26.08 ? 64 VAL B C 1 ATOM 3652 O O . VAL B 1 65 ? -12.513 24.542 38.409 1.00 26.17 ? 64 VAL B O 1 ATOM 3653 C CB . VAL B 1 65 ? -15.381 25.264 38.043 1.00 28.48 ? 64 VAL B CB 1 ATOM 3654 C CG1 . VAL B 1 65 ? -15.752 25.295 39.523 1.00 29.61 ? 64 VAL B CG1 1 ATOM 3655 C CG2 . VAL B 1 65 ? -16.562 25.720 37.196 1.00 29.43 ? 64 VAL B CG2 1 ATOM 3656 N N . TYR B 1 66 ? -12.491 26.504 39.525 1.00 24.97 ? 65 TYR B N 1 ATOM 3657 C CA . TYR B 1 66 ? -11.407 26.100 40.411 1.00 25.01 ? 65 TYR B CA 1 ATOM 3658 C C . TYR B 1 66 ? -11.981 25.491 41.686 1.00 26.93 ? 65 TYR B C 1 ATOM 3659 O O . TYR B 1 66 ? -12.764 26.119 42.389 1.00 28.02 ? 65 TYR B O 1 ATOM 3660 C CB . TYR B 1 66 ? -10.466 27.266 40.733 1.00 24.58 ? 65 TYR B CB 1 ATOM 3661 C CG . TYR B 1 66 ? -9.210 26.769 41.424 1.00 23.71 ? 65 TYR B CG 1 ATOM 3662 C CD1 . TYR B 1 66 ? -8.147 26.254 40.689 1.00 22.42 ? 65 TYR B CD1 1 ATOM 3663 C CD2 . TYR B 1 66 ? -9.109 26.758 42.813 1.00 24.79 ? 65 TYR B CD2 1 ATOM 3664 C CE1 . TYR B 1 66 ? -7.021 25.757 41.309 1.00 22.05 ? 65 TYR B CE1 1 ATOM 3665 C CE2 . TYR B 1 66 ? -7.970 26.260 43.444 1.00 24.15 ? 65 TYR B CE2 1 ATOM 3666 C CZ . TYR B 1 66 ? -6.930 25.777 42.687 1.00 23.11 ? 65 TYR B CZ 1 ATOM 3667 O OH . TYR B 1 66 ? -5.813 25.263 43.313 1.00 23.61 ? 65 TYR B OH 1 ATOM 3668 N N . ASN B 1 67 ? -11.619 24.252 41.968 1.00 27.90 ? 66 ASN B N 1 ATOM 3669 C CA . ASN B 1 67 ? -12.098 23.555 43.159 1.00 30.71 ? 66 ASN B CA 1 ATOM 3670 C C . ASN B 1 67 ? -11.004 23.619 44.222 1.00 30.52 ? 66 ASN B C 1 ATOM 3671 O O . ASN B 1 67 ? -9.951 22.992 44.071 1.00 28.14 ? 66 ASN B O 1 ATOM 3672 C CB . ASN B 1 67 ? -12.441 22.121 42.764 1.00 32.44 ? 66 ASN B CB 1 ATOM 3673 C CG . ASN B 1 67 ? -12.964 21.287 43.914 1.00 36.10 ? 66 ASN B CG 1 ATOM 3674 O OD1 . ASN B 1 67 ? -12.605 21.477 45.085 1.00 33.27 ? 66 ASN B OD1 1 ATOM 3675 N ND2 . ASN B 1 67 ? -13.827 20.331 43.572 1.00 40.04 ? 66 ASN B ND2 1 ATOM 3676 N N . LYS B 1 68 ? -11.254 24.383 45.287 1.00 32.87 ? 67 LYS B N 1 ATOM 3677 C CA . LYS B 1 68 ? -10.244 24.615 46.335 1.00 35.07 ? 67 LYS B CA 1 ATOM 3678 C C . LYS B 1 68 ? -9.911 23.360 47.143 1.00 36.46 ? 67 LYS B C 1 ATOM 3679 O O . LYS B 1 68 ? -8.826 23.254 47.685 1.00 38.92 ? 67 LYS B O 1 ATOM 3680 C CB . LYS B 1 68 ? -10.699 25.711 47.305 1.00 37.37 ? 67 LYS B CB 1 ATOM 3681 C CG . LYS B 1 68 ? -10.828 27.098 46.709 1.00 39.27 ? 67 LYS B CG 1 ATOM 3682 C CD . LYS B 1 68 ? -11.367 28.061 47.753 1.00 41.82 ? 67 LYS B CD 1 ATOM 3683 C CE . LYS B 1 68 ? -11.282 29.509 47.308 1.00 44.88 ? 67 LYS B CE 1 ATOM 3684 N NZ . LYS B 1 68 ? -12.299 29.855 46.271 1.00 47.30 ? 67 LYS B NZ 1 ATOM 3685 N N . THR B 1 69 ? -10.843 22.420 47.222 1.00 37.96 ? 68 THR B N 1 ATOM 3686 C CA . THR B 1 69 ? -10.631 21.165 47.954 1.00 39.40 ? 68 THR B CA 1 ATOM 3687 C C . THR B 1 69 ? -9.665 20.248 47.221 1.00 38.38 ? 68 THR B C 1 ATOM 3688 O O . THR B 1 69 ? -8.713 19.748 47.801 1.00 40.91 ? 68 THR B O 1 ATOM 3689 C CB . THR B 1 69 ? -11.970 20.417 48.151 1.00 39.92 ? 68 THR B CB 1 ATOM 3690 O OG1 . THR B 1 69 ? -12.907 21.303 48.773 1.00 41.11 ? 68 THR B OG1 1 ATOM 3691 C CG2 . THR B 1 69 ? -11.792 19.168 49.006 1.00 41.44 ? 68 THR B CG2 1 ATOM 3692 N N . SER B 1 70 ? -9.923 20.007 45.940 1.00 36.25 ? 69 SER B N 1 ATOM 3693 C CA . SER B 1 70 ? -9.057 19.161 45.152 1.00 34.44 ? 69 SER B CA 1 ATOM 3694 C C . SER B 1 70 ? -7.833 19.914 44.618 1.00 32.57 ? 69 SER B C 1 ATOM 3695 O O . SER B 1 70 ? -6.931 19.284 44.107 1.00 30.64 ? 69 SER B O 1 ATOM 3696 C CB . SER B 1 70 ? -9.828 18.564 43.971 1.00 34.06 ? 69 SER B CB 1 ATOM 3697 O OG . SER B 1 70 ? -10.304 19.585 43.112 1.00 33.46 ? 69 SER B OG 1 ATOM 3698 N N . ARG B 1 71 ? -7.828 21.249 44.704 1.00 30.87 ? 70 ARG B N 1 ATOM 3699 C CA . ARG B 1 71 ? -6.793 22.084 44.064 1.00 30.70 ? 70 ARG B CA 1 ATOM 3700 C C . ARG B 1 71 ? -6.647 21.740 42.590 1.00 29.00 ? 70 ARG B C 1 ATOM 3701 O O . ARG B 1 71 ? -5.551 21.517 42.092 1.00 28.40 ? 70 ARG B O 1 ATOM 3702 C CB . ARG B 1 71 ? -5.434 21.963 44.795 1.00 31.55 ? 70 ARG B CB 1 ATOM 3703 C CG . ARG B 1 71 ? -5.471 22.359 46.273 1.00 32.17 ? 70 ARG B CG 1 ATOM 3704 C CD . ARG B 1 71 ? -5.704 23.844 46.455 1.00 32.46 ? 70 ARG B CD 1 ATOM 3705 N NE . ARG B 1 71 ? -4.570 24.617 45.955 1.00 31.49 ? 70 ARG B NE 1 ATOM 3706 C CZ . ARG B 1 71 ? -3.620 25.160 46.708 1.00 31.53 ? 70 ARG B CZ 1 ATOM 3707 N NH1 . ARG B 1 71 ? -3.650 25.068 48.032 1.00 31.18 ? 70 ARG B NH1 1 ATOM 3708 N NH2 . ARG B 1 71 ? -2.656 25.854 46.134 1.00 31.29 ? 70 ARG B NH2 1 ATOM 3709 N N . ALA B 1 72 ? -7.777 21.685 41.893 1.00 28.60 ? 71 ALA B N 1 ATOM 3710 C CA . ALA B 1 72 ? -7.810 21.304 40.485 1.00 26.72 ? 71 ALA B CA 1 ATOM 3711 C C . ALA B 1 72 ? -8.972 22.014 39.802 1.00 26.98 ? 71 ALA B C 1 ATOM 3712 O O . ALA B 1 72 ? -9.906 22.458 40.465 1.00 26.41 ? 71 ALA B O 1 ATOM 3713 C CB . ALA B 1 72 ? -7.999 19.810 40.368 1.00 28.02 ? 71 ALA B CB 1 ATOM 3714 N N . THR B 1 73 ? -8.912 22.140 38.483 1.00 25.46 ? 72 THR B N 1 ATOM 3715 C CA . THR B 1 73 ? -9.994 22.785 37.749 1.00 26.76 ? 72 THR B CA 1 ATOM 3716 C C . THR B 1 73 ? -10.942 21.729 37.238 1.00 28.06 ? 72 THR B C 1 ATOM 3717 O O . THR B 1 73 ? -10.547 20.581 37.029 1.00 27.88 ? 72 THR B O 1 ATOM 3718 C CB . THR B 1 73 ? -9.506 23.659 36.570 1.00 27.05 ? 72 THR B CB 1 ATOM 3719 O OG1 . THR B 1 73 ? -8.620 22.915 35.711 1.00 26.19 ? 72 THR B OG1 1 ATOM 3720 C CG2 . THR B 1 73 ? -8.793 24.876 37.087 1.00 27.05 ? 72 THR B CG2 1 ATOM 3721 N N . GLN B 1 74 ? -12.179 22.141 37.012 1.00 28.22 ? 73 GLN B N 1 ATOM 3722 C CA . GLN B 1 74 ? -13.161 21.299 36.363 1.00 29.55 ? 73 GLN B CA 1 ATOM 3723 C C . GLN B 1 74 ? -13.987 22.153 35.391 1.00 28.35 ? 73 GLN B C 1 ATOM 3724 O O . GLN B 1 74 ? -13.950 23.374 35.452 1.00 27.27 ? 73 GLN B O 1 ATOM 3725 C CB . GLN B 1 74 ? -14.019 20.581 37.421 1.00 33.34 ? 73 GLN B CB 1 ATOM 3726 C CG . GLN B 1 74 ? -14.413 21.462 38.585 1.00 36.02 ? 73 GLN B CG 1 ATOM 3727 C CD . GLN B 1 74 ? -15.030 20.702 39.756 1.00 38.75 ? 73 GLN B CD 1 ATOM 3728 O OE1 . GLN B 1 74 ? -14.339 20.054 40.549 1.00 39.48 ? 73 GLN B OE1 1 ATOM 3729 N NE2 . GLN B 1 74 ? -16.326 20.820 39.886 1.00 39.35 ? 73 GLN B NE2 1 ATOM 3730 N N . PHE B 1 75 ? -14.704 21.512 34.465 1.00 28.55 ? 74 PHE B N 1 ATOM 3731 C CA . PHE B 1 75 ? -15.575 22.240 33.543 1.00 28.37 ? 74 PHE B CA 1 ATOM 3732 C C . PHE B 1 75 ? -16.875 22.574 34.278 1.00 29.35 ? 74 PHE B C 1 ATOM 3733 O O . PHE B 1 75 ? -17.206 21.917 35.255 1.00 28.75 ? 74 PHE B O 1 ATOM 3734 C CB . PHE B 1 75 ? -15.884 21.428 32.277 1.00 28.63 ? 74 PHE B CB 1 ATOM 3735 C CG . PHE B 1 75 ? -14.657 20.867 31.566 1.00 27.78 ? 74 PHE B CG 1 ATOM 3736 C CD1 . PHE B 1 75 ? -13.459 21.559 31.530 1.00 27.15 ? 74 PHE B CD1 1 ATOM 3737 C CD2 . PHE B 1 75 ? -14.730 19.643 30.931 1.00 27.92 ? 74 PHE B CD2 1 ATOM 3738 C CE1 . PHE B 1 75 ? -12.356 21.027 30.865 1.00 27.92 ? 74 PHE B CE1 1 ATOM 3739 C CE2 . PHE B 1 75 ? -13.640 19.105 30.262 1.00 28.59 ? 74 PHE B CE2 1 ATOM 3740 C CZ . PHE B 1 75 ? -12.448 19.794 30.221 1.00 27.87 ? 74 PHE B CZ 1 ATOM 3741 N N . PRO B 1 76 ? -17.613 23.589 33.810 1.00 28.96 ? 75 PRO B N 1 ATOM 3742 C CA . PRO B 1 76 ? -18.927 23.831 34.406 1.00 30.88 ? 75 PRO B CA 1 ATOM 3743 C C . PRO B 1 76 ? -19.864 22.619 34.271 1.00 32.40 ? 75 PRO B C 1 ATOM 3744 O O . PRO B 1 76 ? -19.659 21.780 33.404 1.00 31.33 ? 75 PRO B O 1 ATOM 3745 C CB . PRO B 1 76 ? -19.454 25.032 33.617 1.00 31.35 ? 75 PRO B CB 1 ATOM 3746 C CG . PRO B 1 76 ? -18.206 25.725 33.121 1.00 29.86 ? 75 PRO B CG 1 ATOM 3747 C CD . PRO B 1 76 ? -17.264 24.612 32.809 1.00 28.40 ? 75 PRO B CD 1 ATOM 3748 N N . ASP B 1 77 ? -20.872 22.533 35.141 1.00 34.62 ? 76 ASP B N 1 ATOM 3749 C CA . ASP B 1 77 ? -21.822 21.420 35.100 1.00 36.81 ? 76 ASP B CA 1 ATOM 3750 C C . ASP B 1 77 ? -22.431 21.283 33.713 1.00 34.78 ? 76 ASP B C 1 ATOM 3751 O O . ASP B 1 77 ? -22.889 22.271 33.142 1.00 34.63 ? 76 ASP B O 1 ATOM 3752 C CB . ASP B 1 77 ? -22.968 21.631 36.106 1.00 42.04 ? 76 ASP B CB 1 ATOM 3753 C CG . ASP B 1 77 ? -22.501 21.605 37.554 1.00 45.97 ? 76 ASP B CG 1 ATOM 3754 O OD1 . ASP B 1 77 ? -21.400 21.083 37.826 1.00 51.02 ? 76 ASP B OD1 1 ATOM 3755 O OD2 . ASP B 1 77 ? -23.233 22.129 38.423 1.00 51.90 ? 76 ASP B OD2 1 ATOM 3756 N N . GLY B 1 78 ? -22.426 20.060 33.189 1.00 33.76 ? 77 GLY B N 1 ATOM 3757 C CA . GLY B 1 78 ? -22.993 19.756 31.885 1.00 34.02 ? 77 GLY B CA 1 ATOM 3758 C C . GLY B 1 78 ? -22.207 20.246 30.677 1.00 32.73 ? 77 GLY B C 1 ATOM 3759 O O . GLY B 1 78 ? -22.750 20.303 29.570 1.00 34.75 ? 77 GLY B O 1 ATOM 3760 N N . VAL B 1 79 ? -20.948 20.624 30.862 1.00 31.10 ? 78 VAL B N 1 ATOM 3761 C CA . VAL B 1 79 ? -20.134 21.091 29.743 1.00 30.23 ? 78 VAL B CA 1 ATOM 3762 C C . VAL B 1 79 ? -18.967 20.133 29.560 1.00 30.02 ? 78 VAL B C 1 ATOM 3763 O O . VAL B 1 79 ? -18.292 19.799 30.530 1.00 29.84 ? 78 VAL B O 1 ATOM 3764 C CB . VAL B 1 79 ? -19.571 22.513 29.990 1.00 29.75 ? 78 VAL B CB 1 ATOM 3765 C CG1 . VAL B 1 79 ? -18.678 22.955 28.836 1.00 28.64 ? 78 VAL B CG1 1 ATOM 3766 C CG2 . VAL B 1 79 ? -20.695 23.531 30.201 1.00 31.27 ? 78 VAL B CG2 1 ATOM 3767 N N . ASP B 1 80 ? -18.740 19.692 28.325 1.00 29.82 ? 79 ASP B N 1 ATOM 3768 C CA . ASP B 1 80 ? -17.487 19.031 27.991 1.00 30.17 ? 79 ASP B CA 1 ATOM 3769 C C . ASP B 1 80 ? -16.733 19.831 26.941 1.00 27.44 ? 79 ASP B C 1 ATOM 3770 O O . ASP B 1 80 ? -17.330 20.347 25.995 1.00 26.97 ? 79 ASP B O 1 ATOM 3771 C CB . ASP B 1 80 ? -17.677 17.622 27.452 1.00 31.86 ? 79 ASP B CB 1 ATOM 3772 C CG . ASP B 1 80 ? -16.333 16.883 27.348 1.00 35.25 ? 79 ASP B CG 1 ATOM 3773 O OD1 . ASP B 1 80 ? -15.599 16.843 28.377 1.00 35.77 ? 79 ASP B OD1 1 ATOM 3774 O OD2 . ASP B 1 80 ? -15.975 16.433 26.236 1.00 36.29 ? 79 ASP B OD2 1 ATOM 3775 N N . VAL B 1 81 ? -15.417 19.929 27.119 1.00 27.22 ? 80 VAL B N 1 ATOM 3776 C CA . VAL B 1 81 ? -14.545 20.615 26.153 1.00 26.58 ? 80 VAL B CA 1 ATOM 3777 C C . VAL B 1 81 ? -13.449 19.653 25.682 1.00 27.10 ? 80 VAL B C 1 ATOM 3778 O O . VAL B 1 81 ? -12.780 19.034 26.495 1.00 28.50 ? 80 VAL B O 1 ATOM 3779 C CB . VAL B 1 81 ? -13.904 21.875 26.748 1.00 26.25 ? 80 VAL B CB 1 ATOM 3780 C CG1 . VAL B 1 81 ? -12.986 22.564 25.737 1.00 25.61 ? 80 VAL B CG1 1 ATOM 3781 C CG2 . VAL B 1 81 ? -14.975 22.863 27.186 1.00 27.06 ? 80 VAL B CG2 1 ATOM 3782 N N . ARG B 1 82 ? -13.298 19.505 24.367 1.00 26.10 ? 81 ARG B N 1 ATOM 3783 C CA . ARG B 1 82 ? -12.285 18.628 23.811 1.00 26.05 ? 81 ARG B CA 1 ATOM 3784 C C . ARG B 1 82 ? -11.401 19.365 22.812 1.00 23.62 ? 81 ARG B C 1 ATOM 3785 O O . ARG B 1 82 ? -11.792 20.393 22.255 1.00 22.73 ? 81 ARG B O 1 ATOM 3786 C CB . ARG B 1 82 ? -12.930 17.379 23.194 1.00 28.10 ? 81 ARG B CB 1 ATOM 3787 C CG . ARG B 1 82 ? -13.581 17.603 21.856 1.00 31.38 ? 81 ARG B CG 1 ATOM 3788 C CD . ARG B 1 82 ? -14.041 16.298 21.219 1.00 34.78 ? 81 ARG B CD 1 ATOM 3789 N NE . ARG B 1 82 ? -14.711 16.608 19.957 1.00 38.34 ? 81 ARG B NE 1 ATOM 3790 C CZ . ARG B 1 82 ? -15.521 15.779 19.283 1.00 43.38 ? 81 ARG B CZ 1 ATOM 3791 N NH1 . ARG B 1 82 ? -15.806 14.560 19.741 1.00 41.76 ? 81 ARG B NH1 1 ATOM 3792 N NH2 . ARG B 1 82 ? -16.060 16.191 18.139 1.00 43.27 ? 81 ARG B NH2 1 ATOM 3793 N N . VAL B 1 83 ? -10.223 18.804 22.579 1.00 21.86 ? 82 VAL B N 1 ATOM 3794 C CA . VAL B 1 83 ? -9.225 19.375 21.675 1.00 21.92 ? 82 VAL B CA 1 ATOM 3795 C C . VAL B 1 83 ? -9.251 18.560 20.386 1.00 22.10 ? 82 VAL B C 1 ATOM 3796 O O . VAL B 1 83 ? -8.851 17.409 20.398 1.00 22.26 ? 82 VAL B O 1 ATOM 3797 C CB . VAL B 1 83 ? -7.828 19.276 22.295 1.00 21.07 ? 82 VAL B CB 1 ATOM 3798 C CG1 . VAL B 1 83 ? -6.771 19.834 21.360 1.00 21.44 ? 82 VAL B CG1 1 ATOM 3799 C CG2 . VAL B 1 83 ? -7.817 20.009 23.636 1.00 21.93 ? 82 VAL B CG2 1 ATOM 3800 N N . PRO B 1 84 ? -9.760 19.130 19.280 1.00 22.84 ? 83 PRO B N 1 ATOM 3801 C CA . PRO B 1 84 ? -9.727 18.384 18.013 1.00 22.69 ? 83 PRO B CA 1 ATOM 3802 C C . PRO B 1 84 ? -8.351 18.409 17.348 1.00 22.04 ? 83 PRO B C 1 ATOM 3803 O O . PRO B 1 84 ? -7.537 19.268 17.664 1.00 21.38 ? 83 PRO B O 1 ATOM 3804 C CB . PRO B 1 84 ? -10.729 19.144 17.140 1.00 23.65 ? 83 PRO B CB 1 ATOM 3805 C CG . PRO B 1 84 ? -10.610 20.550 17.617 1.00 23.53 ? 83 PRO B CG 1 ATOM 3806 C CD . PRO B 1 84 ? -10.364 20.464 19.105 1.00 23.04 ? 83 PRO B CD 1 ATOM 3807 N N . GLY B 1 85 ? -8.091 17.462 16.435 1.00 21.18 ? 84 GLY B N 1 ATOM 3808 C CA . GLY B 1 85 ? -6.959 17.594 15.518 1.00 20.93 ? 84 GLY B CA 1 ATOM 3809 C C . GLY B 1 85 ? -5.596 17.189 16.027 1.00 20.29 ? 84 GLY B C 1 ATOM 3810 O O . GLY B 1 85 ? -4.575 17.589 15.441 1.00 20.00 ? 84 GLY B O 1 ATOM 3811 N N . PHE B 1 86 ? -5.543 16.429 17.126 1.00 19.47 ? 85 PHE B N 1 ATOM 3812 C CA . PHE B 1 86 ? -4.259 15.948 17.619 1.00 19.24 ? 85 PHE B CA 1 ATOM 3813 C C . PHE B 1 86 ? -3.642 15.015 16.563 1.00 19.56 ? 85 PHE B C 1 ATOM 3814 O O . PHE B 1 86 ? -4.276 14.095 16.086 1.00 19.31 ? 85 PHE B O 1 ATOM 3815 C CB . PHE B 1 86 ? -4.372 15.235 18.991 1.00 19.62 ? 85 PHE B CB 1 ATOM 3816 C CG . PHE B 1 86 ? -3.025 14.940 19.620 1.00 18.48 ? 85 PHE B CG 1 ATOM 3817 C CD1 . PHE B 1 86 ? -2.400 15.866 20.446 1.00 19.13 ? 85 PHE B CD1 1 ATOM 3818 C CD2 . PHE B 1 86 ? -2.370 13.765 19.338 1.00 18.95 ? 85 PHE B CD2 1 ATOM 3819 C CE1 . PHE B 1 86 ? -1.152 15.610 20.998 1.00 18.01 ? 85 PHE B CE1 1 ATOM 3820 C CE2 . PHE B 1 86 ? -1.114 13.504 19.873 1.00 18.74 ? 85 PHE B CE2 1 ATOM 3821 C CZ . PHE B 1 86 ? -0.512 14.415 20.714 1.00 18.42 ? 85 PHE B CZ 1 ATOM 3822 N N . GLY B 1 87 ? -2.402 15.280 16.203 1.00 19.33 ? 86 GLY B N 1 ATOM 3823 C CA . GLY B 1 87 ? -1.718 14.495 15.191 1.00 19.82 ? 86 GLY B CA 1 ATOM 3824 C C . GLY B 1 87 ? -1.948 15.025 13.793 1.00 20.57 ? 86 GLY B C 1 ATOM 3825 O O . GLY B 1 87 ? -1.305 14.553 12.873 1.00 21.15 ? 86 GLY B O 1 ATOM 3826 N N . LYS B 1 88 ? -2.829 16.031 13.648 1.00 21.19 ? 87 LYS B N 1 ATOM 3827 C CA . LYS B 1 88 ? -3.110 16.718 12.386 1.00 23.21 ? 87 LYS B CA 1 ATOM 3828 C C . LYS B 1 88 ? -2.633 18.172 12.527 1.00 22.20 ? 87 LYS B C 1 ATOM 3829 O O . LYS B 1 88 ? -2.041 18.523 13.546 1.00 21.33 ? 87 LYS B O 1 ATOM 3830 C CB . LYS B 1 88 ? -4.614 16.714 12.100 1.00 26.32 ? 87 LYS B CB 1 ATOM 3831 C CG . LYS B 1 88 ? -5.280 15.355 12.209 1.00 29.67 ? 87 LYS B CG 1 ATOM 3832 C CD . LYS B 1 88 ? -4.701 14.374 11.220 1.00 32.26 ? 87 LYS B CD 1 ATOM 3833 C CE . LYS B 1 88 ? -5.444 13.036 11.264 1.00 36.54 ? 87 LYS B CE 1 ATOM 3834 N NZ . LYS B 1 88 ? -4.623 11.954 10.648 1.00 37.89 ? 87 LYS B NZ 1 ATOM 3835 N N . THR B 1 89 ? -2.885 19.014 11.535 1.00 22.09 ? 88 THR B N 1 ATOM 3836 C CA . THR B 1 89 ? -2.443 20.423 11.615 1.00 21.82 ? 88 THR B CA 1 ATOM 3837 C C . THR B 1 89 ? -3.566 21.436 11.455 1.00 20.92 ? 88 THR B C 1 ATOM 3838 O O . THR B 1 89 ? -3.395 22.606 11.803 1.00 20.47 ? 88 THR B O 1 ATOM 3839 C CB . THR B 1 89 ? -1.350 20.743 10.580 1.00 23.47 ? 88 THR B CB 1 ATOM 3840 O OG1 . THR B 1 89 ? -1.895 20.597 9.275 1.00 24.64 ? 88 THR B OG1 1 ATOM 3841 C CG2 . THR B 1 89 ? -0.138 19.802 10.734 1.00 23.58 ? 88 THR B CG2 1 ATOM 3842 N N . PHE B 1 90 ? -4.741 20.998 11.011 1.00 21.27 ? 89 PHE B N 1 ATOM 3843 C CA . PHE B 1 90 ? -5.810 21.938 10.696 1.00 21.81 ? 89 PHE B CA 1 ATOM 3844 C C . PHE B 1 90 ? -6.190 22.834 11.874 1.00 21.08 ? 89 PHE B C 1 ATOM 3845 O O . PHE B 1 90 ? -6.510 24.032 11.676 1.00 21.03 ? 89 PHE B O 1 ATOM 3846 C CB . PHE B 1 90 ? -7.046 21.216 10.121 1.00 23.54 ? 89 PHE B CB 1 ATOM 3847 C CG . PHE B 1 90 ? -7.812 20.389 11.127 1.00 25.74 ? 89 PHE B CG 1 ATOM 3848 C CD1 . PHE B 1 90 ? -8.796 20.968 11.915 1.00 27.41 ? 89 PHE B CD1 1 ATOM 3849 C CD2 . PHE B 1 90 ? -7.591 19.018 11.238 1.00 26.95 ? 89 PHE B CD2 1 ATOM 3850 C CE1 . PHE B 1 90 ? -9.511 20.212 12.831 1.00 28.23 ? 89 PHE B CE1 1 ATOM 3851 C CE2 . PHE B 1 90 ? -8.307 18.255 12.148 1.00 26.86 ? 89 PHE B CE2 1 ATOM 3852 C CZ . PHE B 1 90 ? -9.266 18.856 12.950 1.00 28.01 ? 89 PHE B CZ 1 ATOM 3853 N N . SER B 1 91 ? -6.163 22.281 13.085 1.00 20.16 ? 90 SER B N 1 ATOM 3854 C CA . SER B 1 91 ? -6.702 23.007 14.234 1.00 20.48 ? 90 SER B CA 1 ATOM 3855 C C . SER B 1 91 ? -5.741 24.053 14.792 1.00 20.81 ? 90 SER B C 1 ATOM 3856 O O . SER B 1 91 ? -6.143 24.897 15.607 1.00 19.80 ? 90 SER B O 1 ATOM 3857 C CB . SER B 1 91 ? -7.154 22.047 15.335 1.00 20.97 ? 90 SER B CB 1 ATOM 3858 O OG . SER B 1 91 ? -6.070 21.491 16.045 1.00 19.89 ? 90 SER B OG 1 ATOM 3859 N N . LEU B 1 92 ? -4.464 23.970 14.403 1.00 19.99 ? 91 LEU B N 1 ATOM 3860 C CA A LEU B 1 92 ? -3.483 25.015 14.652 0.50 20.84 ? 91 LEU B CA 1 ATOM 3861 C CA B LEU B 1 92 ? -3.539 25.065 14.706 0.50 20.34 ? 91 LEU B CA 1 ATOM 3862 C C . LEU B 1 92 ? -3.244 25.967 13.495 1.00 20.87 ? 91 LEU B C 1 ATOM 3863 O O . LEU B 1 92 ? -2.726 27.074 13.683 1.00 21.32 ? 91 LEU B O 1 ATOM 3864 C CB A LEU B 1 92 ? -2.119 24.337 14.850 0.50 21.81 ? 91 LEU B CB 1 ATOM 3865 C CB B LEU B 1 92 ? -2.282 24.620 15.484 0.50 20.44 ? 91 LEU B CB 1 ATOM 3866 C CG A LEU B 1 92 ? -1.664 23.645 16.107 0.50 22.22 ? 91 LEU B CG 1 ATOM 3867 C CG B LEU B 1 92 ? -1.561 23.305 15.211 0.50 20.18 ? 91 LEU B CG 1 ATOM 3868 C CD1 A LEU B 1 92 ? -2.539 22.452 16.371 0.50 22.85 ? 91 LEU B CD1 1 ATOM 3869 C CD1 B LEU B 1 92 ? -0.877 23.473 13.872 0.50 21.02 ? 91 LEU B CD1 1 ATOM 3870 C CD2 A LEU B 1 92 ? -0.230 23.194 15.888 0.50 22.75 ? 91 LEU B CD2 1 ATOM 3871 C CD2 B LEU B 1 92 ? -0.527 23.041 16.300 0.50 20.78 ? 91 LEU B CD2 1 ATOM 3872 N N . GLU B 1 93 ? -3.558 25.528 12.278 1.00 20.58 ? 92 GLU B N 1 ATOM 3873 C CA . GLU B 1 93 ? -3.338 26.403 11.112 1.00 21.24 ? 92 GLU B CA 1 ATOM 3874 C C . GLU B 1 93 ? -4.340 27.545 11.106 1.00 22.67 ? 92 GLU B C 1 ATOM 3875 O O . GLU B 1 93 ? -3.994 28.688 10.864 1.00 22.03 ? 92 GLU B O 1 ATOM 3876 C CB . GLU B 1 93 ? -3.441 25.635 9.796 1.00 21.50 ? 92 GLU B CB 1 ATOM 3877 C CG . GLU B 1 93 ? -2.278 24.712 9.506 1.00 21.70 ? 92 GLU B CG 1 ATOM 3878 C CD . GLU B 1 93 ? -2.426 24.063 8.148 1.00 23.02 ? 92 GLU B CD 1 ATOM 3879 O OE1 . GLU B 1 93 ? -2.332 24.803 7.132 1.00 23.37 ? 92 GLU B OE1 1 ATOM 3880 O OE2 . GLU B 1 93 ? -2.574 22.811 8.097 1.00 23.64 ? 92 GLU B OE2 1 ATOM 3881 N N . PHE B 1 94 ? -5.588 27.195 11.388 1.00 23.56 ? 93 PHE B N 1 ATOM 3882 C CA . PHE B 1 94 ? -6.705 28.130 11.414 1.00 25.25 ? 93 PHE B CA 1 ATOM 3883 C C . PHE B 1 94 ? -7.466 27.942 12.719 1.00 25.02 ? 93 PHE B C 1 ATOM 3884 O O . PHE B 1 94 ? -7.935 26.838 13.031 1.00 26.45 ? 93 PHE B O 1 ATOM 3885 C CB . PHE B 1 94 ? -7.644 27.820 10.275 1.00 27.91 ? 93 PHE B CB 1 ATOM 3886 C CG . PHE B 1 94 ? -7.075 28.133 8.917 1.00 29.83 ? 93 PHE B CG 1 ATOM 3887 C CD1 . PHE B 1 94 ? -6.918 29.434 8.502 1.00 32.68 ? 93 PHE B CD1 1 ATOM 3888 C CD2 . PHE B 1 94 ? -6.717 27.123 8.065 1.00 32.51 ? 93 PHE B CD2 1 ATOM 3889 C CE1 . PHE B 1 94 ? -6.414 29.722 7.230 1.00 35.42 ? 93 PHE B CE1 1 ATOM 3890 C CE2 . PHE B 1 94 ? -6.213 27.395 6.799 1.00 35.37 ? 93 PHE B CE2 1 ATOM 3891 C CZ . PHE B 1 94 ? -6.051 28.701 6.385 1.00 33.33 ? 93 PHE B CZ 1 ATOM 3892 N N . LEU B 1 95 ? -7.560 29.004 13.495 1.00 24.05 ? 94 LEU B N 1 ATOM 3893 C CA . LEU B 1 95 ? -8.268 28.928 14.776 1.00 24.50 ? 94 LEU B CA 1 ATOM 3894 C C . LEU B 1 95 ? -9.777 28.942 14.534 1.00 25.96 ? 94 LEU B C 1 ATOM 3895 O O . LEU B 1 95 ? -10.537 28.349 15.300 1.00 25.43 ? 94 LEU B O 1 ATOM 3896 C CB . LEU B 1 95 ? -7.843 30.071 15.678 1.00 24.36 ? 94 LEU B CB 1 ATOM 3897 C CG . LEU B 1 95 ? -6.338 30.131 15.959 1.00 24.53 ? 94 LEU B CG 1 ATOM 3898 C CD1 . LEU B 1 95 ? -6.016 31.336 16.817 1.00 25.00 ? 94 LEU B CD1 1 ATOM 3899 C CD2 . LEU B 1 95 ? -5.822 28.846 16.608 1.00 24.25 ? 94 LEU B CD2 1 ATOM 3900 N N . ASP B 1 96 ? -10.181 29.625 13.473 1.00 28.32 ? 95 ASP B N 1 ATOM 3901 C CA . ASP B 1 96 ? -11.582 29.693 13.066 1.00 33.42 ? 95 ASP B CA 1 ATOM 3902 C C . ASP B 1 96 ? -11.787 28.757 11.883 1.00 34.51 ? 95 ASP B C 1 ATOM 3903 O O . ASP B 1 96 ? -11.159 28.948 10.841 1.00 33.95 ? 95 ASP B O 1 ATOM 3904 C CB . ASP B 1 96 ? -11.934 31.135 12.674 1.00 36.64 ? 95 ASP B CB 1 ATOM 3905 C CG . ASP B 1 96 ? -13.415 31.334 12.470 1.00 42.18 ? 95 ASP B CG 1 ATOM 3906 O OD1 . ASP B 1 96 ? -14.110 30.368 12.084 1.00 45.33 ? 95 ASP B OD1 1 ATOM 3907 O OD2 . ASP B 1 96 ? -13.890 32.465 12.685 1.00 48.18 ? 95 ASP B OD2 1 ATOM 3908 N N . PRO B 1 97 ? -12.641 27.730 12.044 1.00 36.17 ? 96 PRO B N 1 ATOM 3909 C CA . PRO B 1 97 ? -12.802 26.760 10.958 1.00 39.41 ? 96 PRO B CA 1 ATOM 3910 C C . PRO B 1 97 ? -13.398 27.348 9.668 1.00 39.76 ? 96 PRO B C 1 ATOM 3911 O O . PRO B 1 97 ? -13.343 26.689 8.652 1.00 39.41 ? 96 PRO B O 1 ATOM 3912 C CB . PRO B 1 97 ? -13.730 25.675 11.550 1.00 41.33 ? 96 PRO B CB 1 ATOM 3913 C CG . PRO B 1 97 ? -13.978 26.034 12.978 1.00 40.18 ? 96 PRO B CG 1 ATOM 3914 C CD . PRO B 1 97 ? -13.461 27.414 13.229 1.00 38.56 ? 96 PRO B CD 1 ATOM 3915 N N . SER B 1 98 ? -13.935 28.568 9.708 1.00 40.82 ? 97 SER B N 1 ATOM 3916 C CA . SER B 1 98 ? -14.275 29.293 8.480 1.00 44.80 ? 97 SER B CA 1 ATOM 3917 C C . SER B 1 98 ? -13.029 29.635 7.655 1.00 47.66 ? 97 SER B C 1 ATOM 3918 O O . SER B 1 98 ? -13.144 30.011 6.492 1.00 47.37 ? 97 SER B O 1 ATOM 3919 C CB . SER B 1 98 ? -14.991 30.598 8.802 1.00 46.07 ? 97 SER B CB 1 ATOM 3920 O OG . SER B 1 98 ? -14.059 31.559 9.281 1.00 47.63 ? 97 SER B OG 1 ATOM 3921 N N . LYS B 1 99 ? -11.851 29.528 8.277 1.00 46.60 ? 98 LYS B N 1 ATOM 3922 C CA . LYS B 1 99 ? -10.555 29.801 7.652 1.00 47.58 ? 98 LYS B CA 1 ATOM 3923 C C . LYS B 1 99 ? -10.374 31.272 7.340 1.00 47.66 ? 98 LYS B C 1 ATOM 3924 O O . LYS B 1 99 ? -9.583 31.650 6.488 1.00 46.97 ? 98 LYS B O 1 ATOM 3925 C CB . LYS B 1 99 ? -10.321 28.933 6.422 1.00 50.88 ? 98 LYS B CB 1 ATOM 3926 C CG . LYS B 1 99 ? -10.380 27.457 6.748 1.00 52.67 ? 98 LYS B CG 1 ATOM 3927 C CD . LYS B 1 99 ? -10.005 26.622 5.548 1.00 57.23 ? 98 LYS B CD 1 ATOM 3928 C CE . LYS B 1 99 ? -9.935 25.155 5.927 1.00 60.55 ? 98 LYS B CE 1 ATOM 3929 N NZ . LYS B 1 99 ? -9.496 24.331 4.767 1.00 63.95 ? 98 LYS B NZ 1 ATOM 3930 N N . SER B 1 100 ? -11.069 32.094 8.104 1.00 49.44 ? 99 SER B N 1 ATOM 3931 C CA . SER B 1 100 ? -10.878 33.522 8.070 1.00 52.41 ? 99 SER B CA 1 ATOM 3932 C C . SER B 1 100 ? -9.435 33.908 8.430 1.00 54.23 ? 99 SER B C 1 ATOM 3933 O O . SER B 1 100 ? -8.802 33.289 9.311 1.00 50.92 ? 99 SER B O 1 ATOM 3934 C CB . SER B 1 100 ? -11.840 34.169 9.067 1.00 54.73 ? 99 SER B CB 1 ATOM 3935 O OG . SER B 1 100 ? -11.541 35.540 9.204 1.00 58.71 ? 99 SER B OG 1 ATOM 3936 N N . SER B 1 101 ? -8.942 34.976 7.805 1.00 52.97 ? 100 SER B N 1 ATOM 3937 C CA . SER B 1 101 ? -7.577 35.466 8.057 1.00 51.05 ? 100 SER B CA 1 ATOM 3938 C C . SER B 1 101 ? -7.356 35.886 9.510 1.00 46.89 ? 100 SER B C 1 ATOM 3939 O O . SER B 1 101 ? -6.242 35.781 10.030 1.00 41.15 ? 100 SER B O 1 ATOM 3940 C CB . SER B 1 101 ? -7.243 36.638 7.143 1.00 53.58 ? 100 SER B CB 1 ATOM 3941 O OG . SER B 1 101 ? -8.094 37.734 7.415 1.00 55.86 ? 100 SER B OG 1 ATOM 3942 N N . VAL B 1 102 ? -8.421 36.311 10.181 1.00 43.73 ? 101 VAL B N 1 ATOM 3943 C CA . VAL B 1 102 ? -8.353 36.648 11.598 1.00 42.55 ? 101 VAL B CA 1 ATOM 3944 C C . VAL B 1 102 ? -7.796 35.476 12.434 1.00 37.24 ? 101 VAL B C 1 ATOM 3945 O O . VAL B 1 102 ? -7.147 35.694 13.449 1.00 38.51 ? 101 VAL B O 1 ATOM 3946 C CB . VAL B 1 102 ? -9.756 37.040 12.125 1.00 44.22 ? 101 VAL B CB 1 ATOM 3947 C CG1 . VAL B 1 102 ? -9.707 37.419 13.590 1.00 45.77 ? 101 VAL B CG1 1 ATOM 3948 C CG2 . VAL B 1 102 ? -10.379 38.179 11.318 1.00 47.99 ? 101 VAL B CG2 1 ATOM 3949 N N . GLY B 1 103 ? -8.095 34.241 12.058 1.00 33.44 ? 102 GLY B N 1 ATOM 3950 C CA . GLY B 1 103 ? -7.632 33.080 12.838 1.00 30.86 ? 102 GLY B CA 1 ATOM 3951 C C . GLY B 1 103 ? -6.434 32.371 12.218 1.00 27.69 ? 102 GLY B C 1 ATOM 3952 O O . GLY B 1 103 ? -6.092 31.289 12.660 1.00 26.35 ? 102 GLY B O 1 ATOM 3953 N N . SER B 1 104 ? -5.776 32.968 11.219 1.00 26.81 ? 103 SER B N 1 ATOM 3954 C CA . SER B 1 104 ? -4.637 32.308 10.558 1.00 26.25 ? 103 SER B CA 1 ATOM 3955 C C . SER B 1 104 ? -3.435 32.351 11.489 1.00 25.24 ? 103 SER B C 1 ATOM 3956 O O . SER B 1 104 ? -2.974 33.427 11.844 1.00 27.69 ? 103 SER B O 1 ATOM 3957 C CB . SER B 1 104 ? -4.306 32.969 9.214 1.00 27.42 ? 103 SER B CB 1 ATOM 3958 O OG . SER B 1 104 ? -3.200 32.329 8.601 1.00 26.70 ? 103 SER B OG 1 ATOM 3959 N N . TYR B 1 105 ? -2.967 31.191 11.940 1.00 23.02 ? 104 TYR B N 1 ATOM 3960 C CA . TYR B 1 105 ? -1.983 31.123 13.008 1.00 21.96 ? 104 TYR B CA 1 ATOM 3961 C C . TYR B 1 105 ? -0.740 30.363 12.510 1.00 21.48 ? 104 TYR B C 1 ATOM 3962 O O . TYR B 1 105 ? 0.222 30.990 12.088 1.00 21.84 ? 104 TYR B O 1 ATOM 3963 C CB . TYR B 1 105 ? -2.622 30.521 14.272 1.00 20.84 ? 104 TYR B CB 1 ATOM 3964 C CG . TYR B 1 105 ? -1.711 30.378 15.457 1.00 20.88 ? 104 TYR B CG 1 ATOM 3965 C CD1 . TYR B 1 105 ? -0.871 31.431 15.861 1.00 21.64 ? 104 TYR B CD1 1 ATOM 3966 C CD2 . TYR B 1 105 ? -1.704 29.210 16.215 1.00 20.02 ? 104 TYR B CD2 1 ATOM 3967 C CE1 . TYR B 1 105 ? -0.040 31.299 16.957 1.00 21.97 ? 104 TYR B CE1 1 ATOM 3968 C CE2 . TYR B 1 105 ? -0.882 29.067 17.316 1.00 19.97 ? 104 TYR B CE2 1 ATOM 3969 C CZ . TYR B 1 105 ? -0.037 30.102 17.692 1.00 21.19 ? 104 TYR B CZ 1 ATOM 3970 O OH . TYR B 1 105 ? 0.791 29.947 18.775 1.00 19.81 ? 104 TYR B OH 1 ATOM 3971 N N . PHE B 1 106 ? -0.771 29.029 12.480 1.00 20.44 ? 105 PHE B N 1 ATOM 3972 C CA . PHE B 1 106 ? 0.338 28.271 11.892 1.00 20.15 ? 105 PHE B CA 1 ATOM 3973 C C . PHE B 1 106 ? 0.209 28.057 10.384 1.00 20.40 ? 105 PHE B C 1 ATOM 3974 O O . PHE B 1 106 ? 1.067 27.393 9.775 1.00 19.61 ? 105 PHE B O 1 ATOM 3975 C CB . PHE B 1 106 ? 0.486 26.886 12.576 1.00 20.81 ? 105 PHE B CB 1 ATOM 3976 C CG . PHE B 1 106 ? 1.418 26.867 13.748 1.00 21.74 ? 105 PHE B CG 1 ATOM 3977 C CD1 . PHE B 1 106 ? 2.778 26.593 13.590 1.00 25.10 ? 105 PHE B CD1 1 ATOM 3978 C CD2 . PHE B 1 106 ? 0.947 27.094 15.007 1.00 25.00 ? 105 PHE B CD2 1 ATOM 3979 C CE1 . PHE B 1 106 ? 3.640 26.559 14.688 1.00 25.96 ? 105 PHE B CE1 1 ATOM 3980 C CE2 . PHE B 1 106 ? 1.798 27.050 16.119 1.00 25.69 ? 105 PHE B CE2 1 ATOM 3981 C CZ . PHE B 1 106 ? 3.135 26.772 15.965 1.00 24.05 ? 105 PHE B CZ 1 ATOM 3982 N N . HIS B 1 107 ? -0.844 28.584 9.757 1.00 20.85 ? 106 HIS B N 1 ATOM 3983 C CA . HIS B 1 107 ? -1.087 28.289 8.350 1.00 21.38 ? 106 HIS B CA 1 ATOM 3984 C C . HIS B 1 107 ? 0.082 28.644 7.428 1.00 21.28 ? 106 HIS B C 1 ATOM 3985 O O . HIS B 1 107 ? 0.435 27.850 6.566 1.00 19.76 ? 106 HIS B O 1 ATOM 3986 C CB . HIS B 1 107 ? -2.354 28.955 7.820 1.00 22.80 ? 106 HIS B CB 1 ATOM 3987 C CG . HIS B 1 107 ? -2.679 28.572 6.412 1.00 24.35 ? 106 HIS B CG 1 ATOM 3988 N ND1 . HIS B 1 107 ? -2.805 27.257 6.017 1.00 25.29 ? 106 HIS B ND1 1 ATOM 3989 C CD2 . HIS B 1 107 ? -2.863 29.321 5.301 1.00 26.01 ? 106 HIS B CD2 1 ATOM 3990 C CE1 . HIS B 1 107 ? -3.085 27.216 4.726 1.00 26.66 ? 106 HIS B CE1 1 ATOM 3991 N NE2 . HIS B 1 107 ? -3.113 28.455 4.265 1.00 27.74 ? 106 HIS B NE2 1 ATOM 3992 N N . THR B 1 108 ? 0.643 29.830 7.584 1.00 21.33 ? 107 THR B N 1 ATOM 3993 C CA . THR B 1 108 ? 1.724 30.244 6.684 1.00 22.25 ? 107 THR B CA 1 ATOM 3994 C C . THR B 1 108 ? 2.915 29.289 6.839 1.00 21.47 ? 107 THR B C 1 ATOM 3995 O O . THR B 1 108 ? 3.502 28.889 5.846 1.00 22.25 ? 107 THR B O 1 ATOM 3996 C CB . THR B 1 108 ? 2.157 31.707 6.945 1.00 22.98 ? 107 THR B CB 1 ATOM 3997 O OG1 . THR B 1 108 ? 1.036 32.573 6.728 1.00 23.67 ? 107 THR B OG1 1 ATOM 3998 C CG2 . THR B 1 108 ? 3.276 32.124 6.019 1.00 24.21 ? 107 THR B CG2 1 ATOM 3999 N N . MET B 1 109 ? 3.245 28.917 8.069 1.00 20.54 ? 108 MET B N 1 ATOM 4000 C CA . MET B 1 109 ? 4.362 28.008 8.313 1.00 21.40 ? 108 MET B CA 1 ATOM 4001 C C . MET B 1 109 ? 4.105 26.599 7.754 1.00 20.66 ? 108 MET B C 1 ATOM 4002 O O . MET B 1 109 ? 4.969 26.032 7.111 1.00 21.27 ? 108 MET B O 1 ATOM 4003 C CB . MET B 1 109 ? 4.685 27.898 9.798 1.00 21.58 ? 108 MET B CB 1 ATOM 4004 C CG . MET B 1 109 ? 5.800 26.904 10.094 1.00 22.78 ? 108 MET B CG 1 ATOM 4005 S SD . MET B 1 109 ? 6.242 26.841 11.850 1.00 26.52 ? 108 MET B SD 1 ATOM 4006 C CE . MET B 1 109 ? 6.916 28.466 12.006 1.00 26.19 ? 108 MET B CE 1 ATOM 4007 N N . VAL B 1 110 ? 2.901 26.067 7.951 1.00 20.31 ? 109 VAL B N 1 ATOM 4008 C CA . VAL B 1 110 ? 2.569 24.754 7.402 1.00 20.82 ? 109 VAL B CA 1 ATOM 4009 C C . VAL B 1 110 ? 2.543 24.770 5.878 1.00 21.38 ? 109 VAL B C 1 ATOM 4010 O O . VAL B 1 110 ? 3.032 23.818 5.253 1.00 20.92 ? 109 VAL B O 1 ATOM 4011 C CB . VAL B 1 110 ? 1.265 24.183 7.972 1.00 20.46 ? 109 VAL B CB 1 ATOM 4012 C CG1 . VAL B 1 110 ? 0.912 22.832 7.334 1.00 21.19 ? 109 VAL B CG1 1 ATOM 4013 C CG2 . VAL B 1 110 ? 1.427 24.009 9.456 1.00 20.50 ? 109 VAL B CG2 1 ATOM 4014 N N . GLU B 1 111 ? 2.009 25.832 5.266 1.00 23.10 ? 110 GLU B N 1 ATOM 4015 C CA . GLU B 1 111 ? 2.082 25.973 3.814 1.00 26.06 ? 110 GLU B CA 1 ATOM 4016 C C . GLU B 1 111 ? 3.520 25.887 3.339 1.00 24.57 ? 110 GLU B C 1 ATOM 4017 O O . GLU B 1 111 ? 3.791 25.263 2.320 1.00 22.31 ? 110 GLU B O 1 ATOM 4018 C CB . GLU B 1 111 ? 1.490 27.298 3.319 1.00 31.06 ? 110 GLU B CB 1 ATOM 4019 C CG . GLU B 1 111 ? -0.020 27.297 3.337 1.00 36.45 ? 110 GLU B CG 1 ATOM 4020 C CD . GLU B 1 111 ? -0.617 26.482 2.211 1.00 42.11 ? 110 GLU B CD 1 ATOM 4021 O OE1 . GLU B 1 111 ? -0.667 27.002 1.073 1.00 53.98 ? 110 GLU B OE1 1 ATOM 4022 O OE2 . GLU B 1 111 ? -1.083 25.361 2.457 1.00 40.42 ? 110 GLU B OE2 1 ATOM 4023 N N . SER B 1 112 ? 4.425 26.576 4.035 1.00 23.35 ? 111 SER B N 1 ATOM 4024 C CA . SER B 1 112 ? 5.856 26.525 3.676 1.00 23.88 ? 111 SER B CA 1 ATOM 4025 C C . SER B 1 112 ? 6.415 25.109 3.792 1.00 21.91 ? 111 SER B C 1 ATOM 4026 O O . SER B 1 112 ? 7.085 24.629 2.868 1.00 22.08 ? 111 SER B O 1 ATOM 4027 C CB . SER B 1 112 ? 6.672 27.463 4.541 1.00 25.27 ? 111 SER B CB 1 ATOM 4028 O OG . SER B 1 112 ? 6.375 28.804 4.198 1.00 28.18 ? 111 SER B OG 1 ATOM 4029 N N . LEU B 1 113 ? 6.132 24.457 4.922 1.00 20.15 ? 112 LEU B N 1 ATOM 4030 C CA . LEU B 1 113 ? 6.592 23.070 5.143 1.00 20.25 ? 112 LEU B CA 1 ATOM 4031 C C . LEU B 1 113 ? 6.100 22.144 4.039 1.00 19.65 ? 112 LEU B C 1 ATOM 4032 O O . LEU B 1 113 ? 6.868 21.361 3.484 1.00 19.00 ? 112 LEU B O 1 ATOM 4033 C CB . LEU B 1 113 ? 6.138 22.556 6.491 1.00 20.11 ? 112 LEU B CB 1 ATOM 4034 C CG . LEU B 1 113 ? 6.855 23.163 7.699 1.00 21.59 ? 112 LEU B CG 1 ATOM 4035 C CD1 . LEU B 1 113 ? 6.054 22.919 8.964 1.00 22.05 ? 112 LEU B CD1 1 ATOM 4036 C CD2 . LEU B 1 113 ? 8.234 22.560 7.846 1.00 22.68 ? 112 LEU B CD2 1 ATOM 4037 N N . VAL B 1 114 ? 4.821 22.270 3.695 1.00 20.02 ? 113 VAL B N 1 ATOM 4038 C CA . VAL B 1 114 ? 4.219 21.450 2.648 1.00 21.32 ? 113 VAL B CA 1 ATOM 4039 C C . VAL B 1 114 ? 4.864 21.763 1.273 1.00 22.43 ? 113 VAL B C 1 ATOM 4040 O O . VAL B 1 114 ? 5.203 20.857 0.511 1.00 22.48 ? 113 VAL B O 1 ATOM 4041 C CB . VAL B 1 114 ? 2.683 21.609 2.670 1.00 21.29 ? 113 VAL B CB 1 ATOM 4042 C CG1 . VAL B 1 114 ? 2.064 21.046 1.397 1.00 22.59 ? 113 VAL B CG1 1 ATOM 4043 C CG2 . VAL B 1 114 ? 2.129 20.934 3.909 1.00 20.50 ? 113 VAL B CG2 1 ATOM 4044 N N . GLY B 1 115 ? 5.130 23.042 0.999 1.00 23.36 ? 114 GLY B N 1 ATOM 4045 C CA . GLY B 1 115 ? 5.888 23.415 -0.193 1.00 25.12 ? 114 GLY B CA 1 ATOM 4046 C C . GLY B 1 115 ? 7.296 22.825 -0.235 1.00 25.37 ? 114 GLY B C 1 ATOM 4047 O O . GLY B 1 115 ? 7.821 22.592 -1.304 1.00 28.09 ? 114 GLY B O 1 ATOM 4048 N N . TRP B 1 116 ? 7.908 22.581 0.931 1.00 24.53 ? 115 TRP B N 1 ATOM 4049 C CA . TRP B 1 116 ? 9.230 21.930 1.048 1.00 24.50 ? 115 TRP B CA 1 ATOM 4050 C C . TRP B 1 116 ? 9.161 20.420 1.004 1.00 24.09 ? 115 TRP B C 1 ATOM 4051 O O . TRP B 1 116 ? 10.203 19.761 1.081 1.00 25.42 ? 115 TRP B O 1 ATOM 4052 C CB . TRP B 1 116 ? 9.952 22.326 2.355 1.00 24.40 ? 115 TRP B CB 1 ATOM 4053 C CG . TRP B 1 116 ? 10.113 23.789 2.513 1.00 25.63 ? 115 TRP B CG 1 ATOM 4054 C CD1 . TRP B 1 116 ? 10.174 24.732 1.520 1.00 26.69 ? 115 TRP B CD1 1 ATOM 4055 C CD2 . TRP B 1 116 ? 10.257 24.492 3.745 1.00 25.28 ? 115 TRP B CD2 1 ATOM 4056 N NE1 . TRP B 1 116 ? 10.319 25.984 2.073 1.00 28.32 ? 115 TRP B NE1 1 ATOM 4057 C CE2 . TRP B 1 116 ? 10.376 25.864 3.435 1.00 26.87 ? 115 TRP B CE2 1 ATOM 4058 C CE3 . TRP B 1 116 ? 10.313 24.095 5.079 1.00 25.64 ? 115 TRP B CE3 1 ATOM 4059 C CZ2 . TRP B 1 116 ? 10.530 26.845 4.424 1.00 27.28 ? 115 TRP B CZ2 1 ATOM 4060 C CZ3 . TRP B 1 116 ? 10.439 25.066 6.064 1.00 25.76 ? 115 TRP B CZ3 1 ATOM 4061 C CH2 . TRP B 1 116 ? 10.555 26.429 5.724 1.00 26.28 ? 115 TRP B CH2 1 ATOM 4062 N N . GLY B 1 117 ? 7.956 19.863 0.914 1.00 22.66 ? 116 GLY B N 1 ATOM 4063 C CA . GLY B 1 117 ? 7.793 18.429 0.767 1.00 22.26 ? 116 GLY B CA 1 ATOM 4064 C C . GLY B 1 117 ? 7.138 17.670 1.903 1.00 20.80 ? 116 GLY B C 1 ATOM 4065 O O . GLY B 1 117 ? 7.039 16.432 1.816 1.00 21.14 ? 116 GLY B O 1 ATOM 4066 N N . TYR B 1 118 ? 6.706 18.373 2.959 1.00 20.29 ? 117 TYR B N 1 ATOM 4067 C CA . TYR B 1 118 ? 6.042 17.742 4.097 1.00 19.39 ? 117 TYR B CA 1 ATOM 4068 C C . TYR B 1 118 ? 4.600 17.423 3.758 1.00 19.48 ? 117 TYR B C 1 ATOM 4069 O O . TYR B 1 118 ? 4.042 18.020 2.840 1.00 19.42 ? 117 TYR B O 1 ATOM 4070 C CB . TYR B 1 118 ? 6.116 18.634 5.353 1.00 20.21 ? 117 TYR B CB 1 ATOM 4071 C CG . TYR B 1 118 ? 7.483 18.571 6.020 1.00 20.17 ? 117 TYR B CG 1 ATOM 4072 C CD1 . TYR B 1 118 ? 8.538 19.368 5.589 1.00 21.23 ? 117 TYR B CD1 1 ATOM 4073 C CD2 . TYR B 1 118 ? 7.728 17.682 7.062 1.00 21.03 ? 117 TYR B CD2 1 ATOM 4074 C CE1 . TYR B 1 118 ? 9.792 19.289 6.186 1.00 21.33 ? 117 TYR B CE1 1 ATOM 4075 C CE2 . TYR B 1 118 ? 8.980 17.611 7.682 1.00 20.33 ? 117 TYR B CE2 1 ATOM 4076 C CZ . TYR B 1 118 ? 10.021 18.394 7.217 1.00 21.45 ? 117 TYR B CZ 1 ATOM 4077 O OH . TYR B 1 118 ? 11.285 18.326 7.836 1.00 21.51 ? 117 TYR B OH 1 ATOM 4078 N N . THR B 1 119 ? 4.033 16.483 4.513 1.00 18.55 ? 118 THR B N 1 ATOM 4079 C CA . THR B 1 119 ? 2.684 15.954 4.314 1.00 18.37 ? 118 THR B CA 1 ATOM 4080 C C . THR B 1 119 ? 1.903 16.048 5.651 1.00 17.99 ? 118 THR B C 1 ATOM 4081 O O . THR B 1 119 ? 2.311 15.451 6.640 1.00 17.71 ? 118 THR B O 1 ATOM 4082 C CB . THR B 1 119 ? 2.745 14.490 3.832 1.00 18.43 ? 118 THR B CB 1 ATOM 4083 O OG1 . THR B 1 119 ? 3.402 14.428 2.557 1.00 18.64 ? 118 THR B OG1 1 ATOM 4084 C CG2 . THR B 1 119 ? 1.340 13.897 3.662 1.00 18.64 ? 118 THR B CG2 1 ATOM 4085 N N . ARG B 1 120 ? 0.810 16.808 5.656 1.00 18.04 ? 119 ARG B N 1 ATOM 4086 C CA . ARG B 1 120 ? 0.019 17.030 6.855 1.00 18.97 ? 119 ARG B CA 1 ATOM 4087 C C . ARG B 1 120 ? -0.440 15.695 7.419 1.00 18.84 ? 119 ARG B C 1 ATOM 4088 O O . ARG B 1 120 ? -0.969 14.847 6.695 1.00 17.99 ? 119 ARG B O 1 ATOM 4089 C CB . ARG B 1 120 ? -1.192 17.902 6.570 1.00 20.35 ? 119 ARG B CB 1 ATOM 4090 C CG . ARG B 1 120 ? -0.903 19.377 6.290 1.00 20.19 ? 119 ARG B CG 1 ATOM 4091 C CD . ARG B 1 120 ? -2.194 20.048 5.809 1.00 21.66 ? 119 ARG B CD 1 ATOM 4092 N NE . ARG B 1 120 ? -2.041 21.485 5.664 1.00 21.79 ? 119 ARG B NE 1 ATOM 4093 C CZ . ARG B 1 120 ? -1.688 22.117 4.545 1.00 23.25 ? 119 ARG B CZ 1 ATOM 4094 N NH1 . ARG B 1 120 ? -1.443 21.465 3.416 1.00 24.65 ? 119 ARG B NH1 1 ATOM 4095 N NH2 . ARG B 1 120 ? -1.602 23.454 4.557 1.00 23.74 ? 119 ARG B NH2 1 ATOM 4096 N N . GLY B 1 121 ? -0.219 15.516 8.702 1.00 18.12 ? 120 GLY B N 1 ATOM 4097 C CA . GLY B 1 121 ? -0.701 14.330 9.381 1.00 19.19 ? 120 GLY B CA 1 ATOM 4098 C C . GLY B 1 121 ? 0.231 13.150 9.274 1.00 20.41 ? 120 GLY B C 1 ATOM 4099 O O . GLY B 1 121 ? -0.029 12.112 9.887 1.00 19.94 ? 120 GLY B O 1 ATOM 4100 N N . GLU B 1 122 ? 1.303 13.296 8.492 1.00 21.06 ? 121 GLU B N 1 ATOM 4101 C CA . GLU B 1 122 ? 2.297 12.248 8.324 1.00 21.75 ? 121 GLU B CA 1 ATOM 4102 C C . GLU B 1 122 ? 3.612 12.735 8.948 1.00 19.94 ? 121 GLU B C 1 ATOM 4103 O O . GLU B 1 122 ? 3.802 12.584 10.164 1.00 19.09 ? 121 GLU B O 1 ATOM 4104 C CB . GLU B 1 122 ? 2.407 11.824 6.860 1.00 25.13 ? 121 GLU B CB 1 ATOM 4105 C CG . GLU B 1 122 ? 1.108 11.139 6.356 1.00 29.30 ? 121 GLU B CG 1 ATOM 4106 C CD . GLU B 1 122 ? 1.310 10.347 5.040 1.00 36.96 ? 121 GLU B CD 1 ATOM 4107 O OE1 . GLU B 1 122 ? 0.345 9.999 4.284 1.00 41.77 ? 121 GLU B OE1 1 ATOM 4108 O OE2 . GLU B 1 122 ? 2.489 10.064 4.706 1.00 42.24 ? 121 GLU B OE2 1 ATOM 4109 N N . ASP B 1 123 ? 4.474 13.370 8.169 1.00 18.58 ? 122 ASP B N 1 ATOM 4110 C CA . ASP B 1 123 ? 5.763 13.815 8.721 1.00 18.66 ? 122 ASP B CA 1 ATOM 4111 C C . ASP B 1 123 ? 5.752 15.235 9.312 1.00 17.89 ? 122 ASP B C 1 ATOM 4112 O O . ASP B 1 123 ? 6.774 15.690 9.834 1.00 17.37 ? 122 ASP B O 1 ATOM 4113 C CB . ASP B 1 123 ? 6.896 13.593 7.721 1.00 20.19 ? 122 ASP B CB 1 ATOM 4114 C CG . ASP B 1 123 ? 6.650 14.263 6.375 1.00 21.63 ? 122 ASP B CG 1 ATOM 4115 O OD1 . ASP B 1 123 ? 5.599 14.926 6.211 1.00 22.21 ? 122 ASP B OD1 1 ATOM 4116 O OD2 . ASP B 1 123 ? 7.494 14.105 5.487 1.00 23.74 ? 122 ASP B OD2 1 ATOM 4117 N N . VAL B 1 124 ? 4.619 15.937 9.223 1.00 16.87 ? 123 VAL B N 1 ATOM 4118 C CA . VAL B 1 124 ? 4.377 17.130 10.040 1.00 17.01 ? 123 VAL B CA 1 ATOM 4119 C C . VAL B 1 124 ? 3.049 16.940 10.761 1.00 16.86 ? 123 VAL B C 1 ATOM 4120 O O . VAL B 1 124 ? 2.014 16.663 10.143 1.00 17.94 ? 123 VAL B O 1 ATOM 4121 C CB . VAL B 1 124 ? 4.422 18.475 9.288 1.00 18.02 ? 123 VAL B CB 1 ATOM 4122 C CG1 . VAL B 1 124 ? 3.403 18.532 8.156 1.00 19.04 ? 123 VAL B CG1 1 ATOM 4123 C CG2 . VAL B 1 124 ? 4.214 19.628 10.272 1.00 18.11 ? 123 VAL B CG2 1 ATOM 4124 N N . ARG B 1 125 ? 3.097 17.012 12.080 1.00 16.45 ? 124 ARG B N 1 ATOM 4125 C CA . ARG B 1 125 ? 1.907 16.797 12.904 1.00 17.05 ? 124 ARG B CA 1 ATOM 4126 C C . ARG B 1 125 ? 1.819 17.888 13.985 1.00 17.19 ? 124 ARG B C 1 ATOM 4127 O O . ARG B 1 125 ? 2.831 18.349 14.501 1.00 16.92 ? 124 ARG B O 1 ATOM 4128 C CB . ARG B 1 125 ? 1.940 15.427 13.572 1.00 17.21 ? 124 ARG B CB 1 ATOM 4129 C CG . ARG B 1 125 ? 2.045 14.259 12.611 1.00 18.72 ? 124 ARG B CG 1 ATOM 4130 C CD . ARG B 1 125 ? 1.843 12.917 13.275 1.00 18.86 ? 124 ARG B CD 1 ATOM 4131 N NE . ARG B 1 125 ? 2.253 11.823 12.395 1.00 19.41 ? 124 ARG B NE 1 ATOM 4132 C CZ . ARG B 1 125 ? 2.099 10.530 12.673 1.00 21.59 ? 124 ARG B CZ 1 ATOM 4133 N NH1 . ARG B 1 125 ? 1.513 10.169 13.818 1.00 22.39 ? 124 ARG B NH1 1 ATOM 4134 N NH2 . ARG B 1 125 ? 2.533 9.601 11.818 1.00 21.68 ? 124 ARG B NH2 1 ATOM 4135 N N . GLY B 1 126 ? 0.605 18.293 14.300 1.00 16.96 ? 125 GLY B N 1 ATOM 4136 C CA . GLY B 1 126 ? 0.360 19.200 15.424 1.00 17.62 ? 125 GLY B CA 1 ATOM 4137 C C . GLY B 1 126 ? 0.147 18.477 16.748 1.00 17.54 ? 125 GLY B C 1 ATOM 4138 O O . GLY B 1 126 ? -0.379 17.343 16.786 1.00 17.41 ? 125 GLY B O 1 ATOM 4139 N N . ALA B 1 127 ? 0.539 19.156 17.826 1.00 15.80 ? 126 ALA B N 1 ATOM 4140 C CA . ALA B 1 127 ? 0.287 18.722 19.181 1.00 15.77 ? 126 ALA B CA 1 ATOM 4141 C C . ALA B 1 127 ? -0.545 19.787 19.933 1.00 15.76 ? 126 ALA B C 1 ATOM 4142 O O . ALA B 1 127 ? -0.077 20.420 20.882 1.00 16.07 ? 126 ALA B O 1 ATOM 4143 C CB . ALA B 1 127 ? 1.596 18.445 19.877 1.00 15.17 ? 126 ALA B CB 1 ATOM 4144 N N . PRO B 1 128 ? -1.792 20.013 19.472 1.00 16.21 ? 127 PRO B N 1 ATOM 4145 C CA . PRO B 1 128 ? -2.701 20.910 20.206 1.00 16.52 ? 127 PRO B CA 1 ATOM 4146 C C . PRO B 1 128 ? -3.074 20.398 21.615 1.00 16.52 ? 127 PRO B C 1 ATOM 4147 O O . PRO B 1 128 ? -3.054 19.189 21.881 1.00 15.98 ? 127 PRO B O 1 ATOM 4148 C CB . PRO B 1 128 ? -3.964 20.941 19.314 1.00 16.39 ? 127 PRO B CB 1 ATOM 4149 C CG . PRO B 1 128 ? -3.964 19.595 18.669 1.00 16.69 ? 127 PRO B CG 1 ATOM 4150 C CD . PRO B 1 128 ? -2.503 19.315 18.384 1.00 15.82 ? 127 PRO B CD 1 ATOM 4151 N N . TYR B 1 129 ? -3.447 21.325 22.498 1.00 16.23 ? 128 TYR B N 1 ATOM 4152 C CA . TYR B 1 129 ? -3.784 20.979 23.869 1.00 16.65 ? 128 TYR B CA 1 ATOM 4153 C C . TYR B 1 129 ? -4.802 21.962 24.442 1.00 16.19 ? 128 TYR B C 1 ATOM 4154 O O . TYR B 1 129 ? -5.101 22.980 23.821 1.00 15.70 ? 128 TYR B O 1 ATOM 4155 C CB . TYR B 1 129 ? -2.514 20.929 24.749 1.00 16.22 ? 128 TYR B CB 1 ATOM 4156 C CG . TYR B 1 129 ? -1.711 22.213 24.741 1.00 15.99 ? 128 TYR B CG 1 ATOM 4157 C CD1 . TYR B 1 129 ? -0.810 22.495 23.711 1.00 16.28 ? 128 TYR B CD1 1 ATOM 4158 C CD2 . TYR B 1 129 ? -1.829 23.150 25.782 1.00 15.78 ? 128 TYR B CD2 1 ATOM 4159 C CE1 . TYR B 1 129 ? -0.070 23.678 23.709 1.00 16.45 ? 128 TYR B CE1 1 ATOM 4160 C CE2 . TYR B 1 129 ? -1.113 24.329 25.770 1.00 15.22 ? 128 TYR B CE2 1 ATOM 4161 C CZ . TYR B 1 129 ? -0.230 24.602 24.741 1.00 16.41 ? 128 TYR B CZ 1 ATOM 4162 O OH . TYR B 1 129 ? 0.490 25.797 24.715 1.00 16.35 ? 128 TYR B OH 1 ATOM 4163 N N . ASP B 1 130 ? -5.340 21.636 25.625 1.00 16.09 ? 129 ASP B N 1 ATOM 4164 C CA . ASP B 1 130 ? -6.270 22.536 26.296 1.00 17.29 ? 129 ASP B CA 1 ATOM 4165 C C . ASP B 1 130 ? -5.428 23.622 26.981 1.00 16.42 ? 129 ASP B C 1 ATOM 4166 O O . ASP B 1 130 ? -4.953 23.453 28.110 1.00 17.28 ? 129 ASP B O 1 ATOM 4167 C CB . ASP B 1 130 ? -7.127 21.796 27.308 1.00 18.35 ? 129 ASP B CB 1 ATOM 4168 C CG . ASP B 1 130 ? -8.207 22.679 27.894 1.00 20.83 ? 129 ASP B CG 1 ATOM 4169 O OD1 . ASP B 1 130 ? -8.113 23.941 27.781 1.00 20.27 ? 129 ASP B OD1 1 ATOM 4170 O OD2 . ASP B 1 130 ? -9.169 22.108 28.458 1.00 21.51 ? 129 ASP B OD2 1 ATOM 4171 N N . TRP B 1 131 ? -5.199 24.700 26.248 1.00 15.82 ? 130 TRP B N 1 ATOM 4172 C CA . TRP B 1 131 ? -4.303 25.776 26.663 1.00 15.87 ? 130 TRP B CA 1 ATOM 4173 C C . TRP B 1 131 ? -4.843 26.631 27.813 1.00 16.84 ? 130 TRP B C 1 ATOM 4174 O O . TRP B 1 131 ? -4.145 27.532 28.276 1.00 16.75 ? 130 TRP B O 1 ATOM 4175 C CB . TRP B 1 131 ? -3.942 26.674 25.455 1.00 16.47 ? 130 TRP B CB 1 ATOM 4176 C CG . TRP B 1 131 ? -5.071 26.864 24.491 1.00 16.37 ? 130 TRP B CG 1 ATOM 4177 C CD1 . TRP B 1 131 ? -5.220 26.247 23.276 1.00 16.61 ? 130 TRP B CD1 1 ATOM 4178 C CD2 . TRP B 1 131 ? -6.236 27.688 24.660 1.00 16.73 ? 130 TRP B CD2 1 ATOM 4179 N NE1 . TRP B 1 131 ? -6.375 26.646 22.682 1.00 17.37 ? 130 TRP B NE1 1 ATOM 4180 C CE2 . TRP B 1 131 ? -7.029 27.523 23.505 1.00 17.02 ? 130 TRP B CE2 1 ATOM 4181 C CE3 . TRP B 1 131 ? -6.687 28.551 25.675 1.00 17.63 ? 130 TRP B CE3 1 ATOM 4182 C CZ2 . TRP B 1 131 ? -8.246 28.185 23.323 1.00 17.83 ? 130 TRP B CZ2 1 ATOM 4183 C CZ3 . TRP B 1 131 ? -7.896 29.222 25.493 1.00 18.12 ? 130 TRP B CZ3 1 ATOM 4184 C CH2 . TRP B 1 131 ? -8.656 29.049 24.319 1.00 18.33 ? 130 TRP B CH2 1 ATOM 4185 N N . ARG B 1 132 ? -6.069 26.349 28.288 1.00 16.94 ? 131 ARG B N 1 ATOM 4186 C CA . ARG B 1 132 ? -6.588 26.996 29.494 1.00 17.94 ? 131 ARG B CA 1 ATOM 4187 C C . ARG B 1 132 ? -5.908 26.471 30.753 1.00 18.14 ? 131 ARG B C 1 ATOM 4188 O O . ARG B 1 132 ? -5.874 27.145 31.782 1.00 17.85 ? 131 ARG B O 1 ATOM 4189 C CB . ARG B 1 132 ? -8.101 26.783 29.607 1.00 19.13 ? 131 ARG B CB 1 ATOM 4190 C CG . ARG B 1 132 ? -8.876 27.368 28.438 1.00 19.73 ? 131 ARG B CG 1 ATOM 4191 C CD . ARG B 1 132 ? -10.327 26.921 28.439 1.00 20.41 ? 131 ARG B CD 1 ATOM 4192 N NE . ARG B 1 132 ? -10.423 25.470 28.465 1.00 20.65 ? 131 ARG B NE 1 ATOM 4193 C CZ . ARG B 1 132 ? -11.521 24.794 28.785 1.00 22.48 ? 131 ARG B CZ 1 ATOM 4194 N NH1 . ARG B 1 132 ? -12.647 25.435 29.106 1.00 22.55 ? 131 ARG B NH1 1 ATOM 4195 N NH2 . ARG B 1 132 ? -11.495 23.463 28.809 1.00 23.07 ? 131 ARG B NH2 1 ATOM 4196 N N . ARG B 1 133 ? -5.358 25.263 30.657 1.00 17.65 ? 132 ARG B N 1 ATOM 4197 C CA . ARG B 1 133 ? -4.726 24.603 31.756 1.00 19.09 ? 132 ARG B CA 1 ATOM 4198 C C . ARG B 1 133 ? -3.214 24.682 31.646 1.00 18.32 ? 132 ARG B C 1 ATOM 4199 O O . ARG B 1 133 ? -2.652 24.917 30.565 1.00 18.66 ? 132 ARG B O 1 ATOM 4200 C CB . ARG B 1 133 ? -5.169 23.140 31.819 1.00 20.31 ? 132 ARG B CB 1 ATOM 4201 C CG . ARG B 1 133 ? -6.583 23.028 32.363 1.00 22.42 ? 132 ARG B CG 1 ATOM 4202 C CD . ARG B 1 133 ? -7.217 21.676 32.128 1.00 26.08 ? 132 ARG B CD 1 ATOM 4203 N NE . ARG B 1 133 ? -8.255 21.437 33.135 1.00 27.74 ? 132 ARG B NE 1 ATOM 4204 C CZ . ARG B 1 133 ? -9.108 20.426 33.107 1.00 30.23 ? 132 ARG B CZ 1 ATOM 4205 N NH1 . ARG B 1 133 ? -9.068 19.532 32.128 1.00 31.75 ? 132 ARG B NH1 1 ATOM 4206 N NH2 . ARG B 1 133 ? -9.996 20.306 34.070 1.00 31.68 ? 132 ARG B NH2 1 ATOM 4207 N N . ALA B 1 134 ? -2.566 24.516 32.788 1.00 17.93 ? 133 ALA B N 1 ATOM 4208 C CA . ALA B 1 134 ? -1.116 24.433 32.848 1.00 18.43 ? 133 ALA B CA 1 ATOM 4209 C C . ALA B 1 134 ? -0.729 22.961 32.798 1.00 18.34 ? 133 ALA B C 1 ATOM 4210 O O . ALA B 1 134 ? -1.589 22.082 32.862 1.00 18.67 ? 133 ALA B O 1 ATOM 4211 C CB . ALA B 1 134 ? -0.600 25.084 34.124 1.00 19.32 ? 133 ALA B CB 1 ATOM 4212 N N . PRO B 1 135 ? 0.565 22.674 32.681 1.00 17.80 ? 134 PRO B N 1 ATOM 4213 C CA . PRO B 1 135 ? 0.946 21.260 32.474 1.00 18.74 ? 134 PRO B CA 1 ATOM 4214 C C . PRO B 1 135 ? 0.501 20.251 33.545 1.00 19.52 ? 134 PRO B C 1 ATOM 4215 O O . PRO B 1 135 ? 0.352 19.046 33.224 1.00 20.06 ? 134 PRO B O 1 ATOM 4216 C CB . PRO B 1 135 ? 2.463 21.332 32.371 1.00 17.97 ? 134 PRO B CB 1 ATOM 4217 C CG . PRO B 1 135 ? 2.685 22.670 31.762 1.00 17.94 ? 134 PRO B CG 1 ATOM 4218 C CD . PRO B 1 135 ? 1.694 23.577 32.422 1.00 17.81 ? 134 PRO B CD 1 ATOM 4219 N N . ASN B 1 136 ? 0.305 20.714 34.784 1.00 20.32 ? 135 ASN B N 1 ATOM 4220 C CA . ASN B 1 136 ? -0.107 19.832 35.873 1.00 22.04 ? 135 ASN B CA 1 ATOM 4221 C C . ASN B 1 136 ? -1.444 19.159 35.612 1.00 22.51 ? 135 ASN B C 1 ATOM 4222 O O . ASN B 1 136 ? -1.727 18.118 36.210 1.00 23.66 ? 135 ASN B O 1 ATOM 4223 C CB . ASN B 1 136 ? -0.158 20.567 37.237 1.00 22.79 ? 135 ASN B CB 1 ATOM 4224 C CG . ASN B 1 136 ? -1.132 21.730 37.252 1.00 23.68 ? 135 ASN B CG 1 ATOM 4225 O OD1 . ASN B 1 136 ? -1.240 22.485 36.291 1.00 25.00 ? 135 ASN B OD1 1 ATOM 4226 N ND2 . ASN B 1 136 ? -1.831 21.913 38.375 1.00 25.45 ? 135 ASN B ND2 1 ATOM 4227 N N . GLU B 1 137 ? -2.270 19.749 34.752 1.00 21.68 ? 136 GLU B N 1 ATOM 4228 C CA . GLU B 1 137 ? -3.561 19.173 34.416 1.00 22.89 ? 136 GLU B CA 1 ATOM 4229 C C . GLU B 1 137 ? -3.662 18.724 32.944 1.00 24.05 ? 136 GLU B C 1 ATOM 4230 O O . GLU B 1 137 ? -4.751 18.627 32.401 1.00 26.07 ? 136 GLU B O 1 ATOM 4231 C CB . GLU B 1 137 ? -4.662 20.179 34.760 1.00 23.63 ? 136 GLU B CB 1 ATOM 4232 C CG . GLU B 1 137 ? -4.736 20.421 36.260 1.00 25.62 ? 136 GLU B CG 1 ATOM 4233 C CD . GLU B 1 137 ? -5.931 21.254 36.686 1.00 28.74 ? 136 GLU B CD 1 ATOM 4234 O OE1 . GLU B 1 137 ? -6.021 22.466 36.351 1.00 27.49 ? 136 GLU B OE1 1 ATOM 4235 O OE2 . GLU B 1 137 ? -6.776 20.685 37.406 1.00 34.25 ? 136 GLU B OE2 1 ATOM 4236 N N . ASN B 1 138 ? -2.525 18.429 32.320 1.00 22.19 ? 137 ASN B N 1 ATOM 4237 C CA . ASN B 1 138 ? -2.498 17.959 30.951 1.00 21.07 ? 137 ASN B CA 1 ATOM 4238 C C . ASN B 1 138 ? -1.627 16.708 30.813 1.00 21.99 ? 137 ASN B C 1 ATOM 4239 O O . ASN B 1 138 ? -0.977 16.498 29.797 1.00 20.66 ? 137 ASN B O 1 ATOM 4240 C CB . ASN B 1 138 ? -2.077 19.100 30.004 1.00 21.35 ? 137 ASN B CB 1 ATOM 4241 C CG . ASN B 1 138 ? -3.268 19.742 29.325 1.00 22.42 ? 137 ASN B CG 1 ATOM 4242 O OD1 . ASN B 1 138 ? -4.193 19.030 28.942 1.00 26.92 ? 137 ASN B OD1 1 ATOM 4243 N ND2 . ASN B 1 138 ? -3.282 21.049 29.198 1.00 20.12 ? 137 ASN B ND2 1 ATOM 4244 N N . GLY B 1 139 ? -1.658 15.856 31.845 1.00 23.03 ? 138 GLY B N 1 ATOM 4245 C CA . GLY B 1 139 ? -0.913 14.590 31.831 1.00 22.81 ? 138 GLY B CA 1 ATOM 4246 C C . GLY B 1 139 ? -1.156 13.739 30.596 1.00 21.97 ? 138 GLY B C 1 ATOM 4247 O O . GLY B 1 139 ? -0.200 13.291 29.953 1.00 21.74 ? 138 GLY B O 1 ATOM 4248 N N . PRO B 1 140 ? -2.439 13.498 30.243 1.00 21.97 ? 139 PRO B N 1 ATOM 4249 C CA . PRO B 1 140 ? -2.724 12.666 29.063 1.00 21.13 ? 139 PRO B CA 1 ATOM 4250 C C . PRO B 1 140 ? -2.123 13.223 27.752 1.00 20.14 ? 139 PRO B C 1 ATOM 4251 O O . PRO B 1 140 ? -1.617 12.455 26.907 1.00 18.57 ? 139 PRO B O 1 ATOM 4252 C CB . PRO B 1 140 ? -4.257 12.627 29.037 1.00 22.33 ? 139 PRO B CB 1 ATOM 4253 C CG . PRO B 1 140 ? -4.631 12.755 30.504 1.00 23.45 ? 139 PRO B CG 1 ATOM 4254 C CD . PRO B 1 140 ? -3.652 13.754 31.051 1.00 22.42 ? 139 PRO B CD 1 ATOM 4255 N N . TYR B 1 141 ? -2.123 14.542 27.608 1.00 18.25 ? 140 TYR B N 1 ATOM 4256 C CA . TYR B 1 141 ? -1.450 15.179 26.471 1.00 17.98 ? 140 TYR B CA 1 ATOM 4257 C C . TYR B 1 141 ? 0.010 14.799 26.350 1.00 16.93 ? 140 TYR B C 1 ATOM 4258 O O . TYR B 1 141 ? 0.478 14.475 25.250 1.00 16.99 ? 140 TYR B O 1 ATOM 4259 C CB . TYR B 1 141 ? -1.575 16.701 26.584 1.00 17.31 ? 140 TYR B CB 1 ATOM 4260 C CG . TYR B 1 141 ? -0.705 17.482 25.634 1.00 16.75 ? 140 TYR B CG 1 ATOM 4261 C CD1 . TYR B 1 141 ? -1.094 17.673 24.301 1.00 17.35 ? 140 TYR B CD1 1 ATOM 4262 C CD2 . TYR B 1 141 ? 0.489 18.038 26.049 1.00 15.55 ? 140 TYR B CD2 1 ATOM 4263 C CE1 . TYR B 1 141 ? -0.310 18.412 23.427 1.00 16.46 ? 140 TYR B CE1 1 ATOM 4264 C CE2 . TYR B 1 141 ? 1.256 18.785 25.185 1.00 15.74 ? 140 TYR B CE2 1 ATOM 4265 C CZ . TYR B 1 141 ? 0.862 18.948 23.863 1.00 15.61 ? 140 TYR B CZ 1 ATOM 4266 O OH . TYR B 1 141 ? 1.638 19.722 23.002 1.00 16.14 ? 140 TYR B OH 1 ATOM 4267 N N . PHE B 1 142 ? 0.745 14.838 27.460 1.00 16.90 ? 141 PHE B N 1 ATOM 4268 C CA . PHE B 1 142 ? 2.170 14.540 27.420 1.00 16.19 ? 141 PHE B CA 1 ATOM 4269 C C . PHE B 1 142 ? 2.429 13.066 27.100 1.00 17.12 ? 141 PHE B C 1 ATOM 4270 O O . PHE B 1 142 ? 3.417 12.753 26.430 1.00 15.98 ? 141 PHE B O 1 ATOM 4271 C CB . PHE B 1 142 ? 2.877 14.964 28.702 1.00 17.11 ? 141 PHE B CB 1 ATOM 4272 C CG . PHE B 1 142 ? 2.866 16.447 28.915 1.00 16.88 ? 141 PHE B CG 1 ATOM 4273 C CD1 . PHE B 1 142 ? 3.537 17.281 28.060 1.00 17.04 ? 141 PHE B CD1 1 ATOM 4274 C CD2 . PHE B 1 142 ? 2.110 17.014 29.944 1.00 17.75 ? 141 PHE B CD2 1 ATOM 4275 C CE1 . PHE B 1 142 ? 3.502 18.655 28.232 1.00 17.40 ? 141 PHE B CE1 1 ATOM 4276 C CE2 . PHE B 1 142 ? 2.070 18.386 30.125 1.00 17.38 ? 141 PHE B CE2 1 ATOM 4277 C CZ . PHE B 1 142 ? 2.769 19.208 29.265 1.00 17.28 ? 141 PHE B CZ 1 ATOM 4278 N N . LEU B 1 143 ? 1.554 12.168 27.563 1.00 16.42 ? 142 LEU B N 1 ATOM 4279 C CA . LEU B 1 143 ? 1.688 10.758 27.159 1.00 19.21 ? 142 LEU B CA 1 ATOM 4280 C C . LEU B 1 143 ? 1.481 10.598 25.658 1.00 18.08 ? 142 LEU B C 1 ATOM 4281 O O . LEU B 1 143 ? 2.247 9.915 25.014 1.00 17.32 ? 142 LEU B O 1 ATOM 4282 C CB . LEU B 1 143 ? 0.728 9.864 27.936 1.00 22.20 ? 142 LEU B CB 1 ATOM 4283 C CG . LEU B 1 143 ? 0.748 8.373 27.556 1.00 25.83 ? 142 LEU B CG 1 ATOM 4284 C CD1 . LEU B 1 143 ? 2.147 7.773 27.730 1.00 27.64 ? 142 LEU B CD1 1 ATOM 4285 C CD2 . LEU B 1 143 ? -0.286 7.501 28.288 1.00 28.06 ? 142 LEU B CD2 1 ATOM 4286 N N . ALA B 1 144 ? 0.443 11.241 25.115 1.00 17.49 ? 143 ALA B N 1 ATOM 4287 C CA . ALA B 1 144 ? 0.163 11.190 23.685 1.00 17.67 ? 143 ALA B CA 1 ATOM 4288 C C . ALA B 1 144 ? 1.298 11.825 22.874 1.00 17.53 ? 143 ALA B C 1 ATOM 4289 O O . ALA B 1 144 ? 1.637 11.320 21.811 1.00 17.39 ? 143 ALA B O 1 ATOM 4290 C CB . ALA B 1 144 ? -1.136 11.891 23.363 1.00 18.58 ? 143 ALA B CB 1 ATOM 4291 N N . LEU B 1 145 ? 1.859 12.922 23.367 1.00 16.19 ? 144 LEU B N 1 ATOM 4292 C CA . LEU B 1 145 ? 2.979 13.555 22.693 1.00 16.19 ? 144 LEU B CA 1 ATOM 4293 C C . LEU B 1 145 ? 4.206 12.635 22.621 1.00 16.85 ? 144 LEU B C 1 ATOM 4294 O O . LEU B 1 145 ? 4.817 12.463 21.547 1.00 15.59 ? 144 LEU B O 1 ATOM 4295 C CB . LEU B 1 145 ? 3.334 14.856 23.397 1.00 16.37 ? 144 LEU B CB 1 ATOM 4296 C CG . LEU B 1 145 ? 4.532 15.664 22.892 1.00 16.72 ? 144 LEU B CG 1 ATOM 4297 C CD1 . LEU B 1 145 ? 4.335 16.047 21.446 1.00 16.92 ? 144 LEU B CD1 1 ATOM 4298 C CD2 . LEU B 1 145 ? 4.745 16.910 23.728 1.00 17.78 ? 144 LEU B CD2 1 ATOM 4299 N N . ARG B 1 146 ? 4.530 12.000 23.751 1.00 17.10 ? 145 ARG B N 1 ATOM 4300 C CA . ARG B 1 146 ? 5.626 11.036 23.778 1.00 19.19 ? 145 ARG B CA 1 ATOM 4301 C C . ARG B 1 146 ? 5.388 9.904 22.776 1.00 18.40 ? 145 ARG B C 1 ATOM 4302 O O . ARG B 1 146 ? 6.272 9.537 22.025 1.00 17.99 ? 145 ARG B O 1 ATOM 4303 C CB . ARG B 1 146 ? 5.828 10.489 25.194 1.00 21.74 ? 145 ARG B CB 1 ATOM 4304 C CG . ARG B 1 146 ? 6.932 9.464 25.317 1.00 26.63 ? 145 ARG B CG 1 ATOM 4305 C CD . ARG B 1 146 ? 7.082 8.992 26.761 1.00 30.29 ? 145 ARG B CD 1 ATOM 4306 N NE . ARG B 1 146 ? 7.836 7.739 26.818 1.00 37.37 ? 145 ARG B NE 1 ATOM 4307 C CZ . ARG B 1 146 ? 9.018 7.552 27.432 1.00 42.10 ? 145 ARG B CZ 1 ATOM 4308 N NH1 . ARG B 1 146 ? 9.664 8.544 28.076 1.00 41.44 ? 145 ARG B NH1 1 ATOM 4309 N NH2 . ARG B 1 146 ? 9.572 6.333 27.404 1.00 43.63 ? 145 ARG B NH2 1 ATOM 4310 N N . GLU B 1 147 ? 4.199 9.331 22.790 1.00 17.83 ? 146 GLU B N 1 ATOM 4311 C CA . GLU B 1 147 ? 3.865 8.269 21.863 1.00 19.77 ? 146 GLU B CA 1 ATOM 4312 C C . GLU B 1 147 ? 3.936 8.696 20.390 1.00 18.12 ? 146 GLU B C 1 ATOM 4313 O O . GLU B 1 147 ? 4.376 7.917 19.554 1.00 17.92 ? 146 GLU B O 1 ATOM 4314 C CB . GLU B 1 147 ? 2.494 7.661 22.214 1.00 21.83 ? 146 GLU B CB 1 ATOM 4315 C CG . GLU B 1 147 ? 2.545 6.939 23.570 1.00 25.47 ? 146 GLU B CG 1 ATOM 4316 C CD . GLU B 1 147 ? 1.193 6.452 24.095 1.00 31.24 ? 146 GLU B CD 1 ATOM 4317 O OE1 . GLU B 1 147 ? 0.134 7.001 23.711 1.00 34.77 ? 146 GLU B OE1 1 ATOM 4318 O OE2 . GLU B 1 147 ? 1.215 5.514 24.925 1.00 38.14 ? 146 GLU B OE2 1 ATOM 4319 N N . MET B 1 148 ? 3.443 9.893 20.085 1.00 17.30 ? 147 MET B N 1 ATOM 4320 C CA . MET B 1 148 ? 3.425 10.371 18.712 1.00 17.47 ? 147 MET B CA 1 ATOM 4321 C C . MET B 1 148 ? 4.848 10.578 18.215 1.00 16.37 ? 147 MET B C 1 ATOM 4322 O O . MET B 1 148 ? 5.183 10.208 17.088 1.00 16.22 ? 147 MET B O 1 ATOM 4323 C CB . MET B 1 148 ? 2.660 11.677 18.621 1.00 17.83 ? 147 MET B CB 1 ATOM 4324 C CG . MET B 1 148 ? 2.596 12.205 17.209 1.00 19.82 ? 147 MET B CG 1 ATOM 4325 S SD . MET B 1 148 ? 1.388 13.535 17.024 1.00 20.99 ? 147 MET B SD 1 ATOM 4326 C CE . MET B 1 148 ? 2.172 14.873 17.886 1.00 20.73 ? 147 MET B CE 1 ATOM 4327 N N . ILE B 1 149 ? 5.695 11.132 19.077 1.00 15.74 ? 148 ILE B N 1 ATOM 4328 C CA . ILE B 1 149 ? 7.108 11.307 18.743 1.00 16.06 ? 148 ILE B CA 1 ATOM 4329 C C . ILE B 1 149 ? 7.776 9.958 18.453 1.00 16.97 ? 148 ILE B C 1 ATOM 4330 O O . ILE B 1 149 ? 8.495 9.824 17.465 1.00 16.88 ? 148 ILE B O 1 ATOM 4331 C CB . ILE B 1 149 ? 7.852 12.074 19.840 1.00 15.48 ? 148 ILE B CB 1 ATOM 4332 C CG1 . ILE B 1 149 ? 7.426 13.536 19.806 1.00 15.22 ? 148 ILE B CG1 1 ATOM 4333 C CG2 . ILE B 1 149 ? 9.357 11.957 19.683 1.00 16.06 ? 148 ILE B CG2 1 ATOM 4334 C CD1 . ILE B 1 149 ? 7.823 14.308 21.038 1.00 14.66 ? 148 ILE B CD1 1 ATOM 4335 N N . GLU B 1 150 ? 7.538 8.965 19.308 1.00 17.48 ? 149 GLU B N 1 ATOM 4336 C CA . GLU B 1 150 ? 8.110 7.644 19.089 1.00 18.36 ? 149 GLU B CA 1 ATOM 4337 C C . GLU B 1 150 ? 7.644 7.035 17.765 1.00 19.31 ? 149 GLU B C 1 ATOM 4338 O O . GLU B 1 150 ? 8.434 6.420 17.020 1.00 19.58 ? 149 GLU B O 1 ATOM 4339 C CB . GLU B 1 150 ? 7.804 6.740 20.286 1.00 19.61 ? 149 GLU B CB 1 ATOM 4340 C CG . GLU B 1 150 ? 8.480 7.216 21.575 1.00 21.00 ? 149 GLU B CG 1 ATOM 4341 C CD . GLU B 1 150 ? 8.267 6.290 22.771 1.00 24.68 ? 149 GLU B CD 1 ATOM 4342 O OE1 . GLU B 1 150 ? 7.626 5.229 22.582 1.00 29.52 ? 149 GLU B OE1 1 ATOM 4343 O OE2 . GLU B 1 150 ? 8.802 6.562 23.872 1.00 23.58 ? 149 GLU B OE2 1 ATOM 4344 N N . GLU B 1 151 ? 6.353 7.168 17.463 1.00 19.09 ? 150 GLU B N 1 ATOM 4345 C CA A GLU B 1 151 ? 5.806 6.647 16.219 0.50 19.22 ? 150 GLU B CA 1 ATOM 4346 C CA B GLU B 1 151 ? 5.814 6.649 16.213 0.50 19.53 ? 150 GLU B CA 1 ATOM 4347 C C . GLU B 1 151 ? 6.438 7.320 14.996 1.00 18.90 ? 150 GLU B C 1 ATOM 4348 O O . GLU B 1 151 ? 6.780 6.643 14.007 1.00 17.72 ? 150 GLU B O 1 ATOM 4349 C CB A GLU B 1 151 ? 4.278 6.840 16.211 0.50 20.46 ? 150 GLU B CB 1 ATOM 4350 C CB B GLU B 1 151 ? 4.290 6.803 16.185 0.50 21.32 ? 150 GLU B CB 1 ATOM 4351 C CG A GLU B 1 151 ? 3.612 6.533 14.866 0.50 21.96 ? 150 GLU B CG 1 ATOM 4352 C CG B GLU B 1 151 ? 3.620 5.888 17.184 0.50 23.64 ? 150 GLU B CG 1 ATOM 4353 C CD A GLU B 1 151 ? 2.097 6.700 14.865 0.50 23.55 ? 150 GLU B CD 1 ATOM 4354 C CD B GLU B 1 151 ? 2.119 6.011 17.160 0.50 25.46 ? 150 GLU B CD 1 ATOM 4355 O OE1 A GLU B 1 151 ? 1.447 6.164 15.771 0.50 25.22 ? 150 GLU B OE1 1 ATOM 4356 O OE1 B GLU B 1 151 ? 1.623 7.128 16.867 0.50 28.94 ? 150 GLU B OE1 1 ATOM 4357 O OE2 A GLU B 1 151 ? 1.545 7.315 13.926 0.50 24.51 ? 150 GLU B OE2 1 ATOM 4358 O OE2 B GLU B 1 151 ? 1.458 4.985 17.418 0.50 27.70 ? 150 GLU B OE2 1 ATOM 4359 N N . MET B 1 152 ? 6.591 8.640 15.057 1.00 16.49 ? 151 MET B N 1 ATOM 4360 C CA . MET B 1 152 ? 7.144 9.364 13.942 1.00 17.48 ? 151 MET B CA 1 ATOM 4361 C C . MET B 1 152 ? 8.612 8.965 13.714 1.00 17.49 ? 151 MET B C 1 ATOM 4362 O O . MET B 1 152 ? 9.059 8.836 12.583 1.00 18.14 ? 151 MET B O 1 ATOM 4363 C CB . MET B 1 152 ? 7.016 10.859 14.163 1.00 17.33 ? 151 MET B CB 1 ATOM 4364 C CG . MET B 1 152 ? 5.565 11.346 14.132 1.00 18.23 ? 151 MET B CG 1 ATOM 4365 S SD . MET B 1 152 ? 5.380 13.082 14.567 1.00 19.28 ? 151 MET B SD 1 ATOM 4366 C CE . MET B 1 152 ? 5.840 13.855 13.041 1.00 19.22 ? 151 MET B CE 1 ATOM 4367 N N . TYR B 1 153 ? 9.335 8.757 14.811 1.00 17.49 ? 152 TYR B N 1 ATOM 4368 C CA . TYR B 1 153 ? 10.737 8.317 14.754 1.00 18.21 ? 152 TYR B CA 1 ATOM 4369 C C . TYR B 1 153 ? 10.830 6.969 14.008 1.00 18.88 ? 152 TYR B C 1 ATOM 4370 O O . TYR B 1 153 ? 11.671 6.763 13.120 1.00 19.06 ? 152 TYR B O 1 ATOM 4371 C CB . TYR B 1 153 ? 11.277 8.200 16.170 1.00 18.32 ? 152 TYR B CB 1 ATOM 4372 C CG . TYR B 1 153 ? 12.566 7.460 16.322 1.00 19.59 ? 152 TYR B CG 1 ATOM 4373 C CD1 . TYR B 1 153 ? 13.778 8.104 16.195 1.00 20.59 ? 152 TYR B CD1 1 ATOM 4374 C CD2 . TYR B 1 153 ? 12.566 6.088 16.562 1.00 20.56 ? 152 TYR B CD2 1 ATOM 4375 C CE1 . TYR B 1 153 ? 14.971 7.410 16.307 1.00 22.05 ? 152 TYR B CE1 1 ATOM 4376 C CE2 . TYR B 1 153 ? 13.741 5.393 16.680 1.00 21.99 ? 152 TYR B CE2 1 ATOM 4377 C CZ . TYR B 1 153 ? 14.939 6.050 16.569 1.00 22.79 ? 152 TYR B CZ 1 ATOM 4378 O OH . TYR B 1 153 ? 16.091 5.339 16.657 1.00 25.28 ? 152 TYR B OH 1 ATOM 4379 N N . GLN B 1 154 ? 9.945 6.053 14.362 1.00 19.64 ? 153 GLN B N 1 ATOM 4380 C CA . GLN B 1 154 ? 9.947 4.750 13.736 1.00 20.02 ? 153 GLN B CA 1 ATOM 4381 C C . GLN B 1 154 ? 9.501 4.765 12.289 1.00 21.83 ? 153 GLN B C 1 ATOM 4382 O O . GLN B 1 154 ? 10.079 4.044 11.458 1.00 21.69 ? 153 GLN B O 1 ATOM 4383 C CB . GLN B 1 154 ? 9.083 3.788 14.539 1.00 20.59 ? 153 GLN B CB 1 ATOM 4384 C CG . GLN B 1 154 ? 9.704 3.524 15.883 1.00 20.87 ? 153 GLN B CG 1 ATOM 4385 C CD . GLN B 1 154 ? 9.185 2.250 16.508 1.00 22.65 ? 153 GLN B CD 1 ATOM 4386 O OE1 . GLN B 1 154 ? 7.983 1.984 16.462 1.00 24.86 ? 153 GLN B OE1 1 ATOM 4387 N NE2 . GLN B 1 154 ? 10.083 1.437 17.046 1.00 22.02 ? 153 GLN B NE2 1 ATOM 4388 N N . LEU B 1 155 ? 8.458 5.535 11.985 1.00 21.96 ? 154 LEU B N 1 ATOM 4389 C CA . LEU B 1 155 ? 7.922 5.591 10.630 1.00 24.62 ? 154 LEU B CA 1 ATOM 4390 C C . LEU B 1 155 ? 8.845 6.299 9.659 1.00 24.84 ? 154 LEU B C 1 ATOM 4391 O O . LEU B 1 155 ? 9.049 5.824 8.543 1.00 25.43 ? 154 LEU B O 1 ATOM 4392 C CB . LEU B 1 155 ? 6.570 6.293 10.596 1.00 25.56 ? 154 LEU B CB 1 ATOM 4393 C CG . LEU B 1 155 ? 5.371 5.533 11.124 1.00 29.17 ? 154 LEU B CG 1 ATOM 4394 C CD1 . LEU B 1 155 ? 4.181 6.470 11.254 1.00 30.93 ? 154 LEU B CD1 1 ATOM 4395 C CD2 . LEU B 1 155 ? 5.024 4.370 10.209 1.00 31.27 ? 154 LEU B CD2 1 ATOM 4396 N N . TYR B 1 156 ? 9.413 7.417 10.079 1.00 25.02 ? 155 TYR B N 1 ATOM 4397 C CA . TYR B 1 156 ? 10.158 8.269 9.155 1.00 26.56 ? 155 TYR B CA 1 ATOM 4398 C C . TYR B 1 156 ? 11.682 8.109 9.315 1.00 28.47 ? 155 TYR B C 1 ATOM 4399 O O . TYR B 1 156 ? 12.422 8.720 8.592 1.00 31.24 ? 155 TYR B O 1 ATOM 4400 C CB . TYR B 1 156 ? 9.654 9.733 9.225 1.00 25.75 ? 155 TYR B CB 1 ATOM 4401 C CG . TYR B 1 156 ? 8.125 9.800 9.170 1.00 24.51 ? 155 TYR B CG 1 ATOM 4402 C CD1 . TYR B 1 156 ? 7.413 9.344 8.047 1.00 25.55 ? 155 TYR B CD1 1 ATOM 4403 C CD2 . TYR B 1 156 ? 7.391 10.234 10.253 1.00 23.12 ? 155 TYR B CD2 1 ATOM 4404 C CE1 . TYR B 1 156 ? 6.011 9.324 8.031 1.00 24.64 ? 155 TYR B CE1 1 ATOM 4405 C CE2 . TYR B 1 156 ? 5.998 10.228 10.241 1.00 22.76 ? 155 TYR B CE2 1 ATOM 4406 C CZ . TYR B 1 156 ? 5.315 9.757 9.127 1.00 23.98 ? 155 TYR B CZ 1 ATOM 4407 O OH . TYR B 1 156 ? 3.920 9.761 9.130 1.00 24.17 ? 155 TYR B OH 1 ATOM 4408 N N . GLY B 1 157 ? 12.119 7.253 10.231 1.00 29.28 ? 156 GLY B N 1 ATOM 4409 C CA . GLY B 1 157 ? 13.503 6.782 10.271 1.00 29.65 ? 156 GLY B CA 1 ATOM 4410 C C . GLY B 1 157 ? 14.498 7.704 10.948 1.00 28.54 ? 156 GLY B C 1 ATOM 4411 O O . GLY B 1 157 ? 15.704 7.579 10.730 1.00 31.66 ? 156 GLY B O 1 ATOM 4412 N N . GLY B 1 158 ? 14.020 8.640 11.762 1.00 25.16 ? 157 GLY B N 1 ATOM 4413 C CA . GLY B 1 158 ? 14.926 9.443 12.545 1.00 23.71 ? 157 GLY B CA 1 ATOM 4414 C C . GLY B 1 158 ? 14.246 10.346 13.550 1.00 21.97 ? 157 GLY B C 1 ATOM 4415 O O . GLY B 1 158 ? 13.008 10.468 13.584 1.00 21.02 ? 157 GLY B O 1 ATOM 4416 N N . PRO B 1 159 ? 15.058 11.004 14.379 1.00 20.77 ? 158 PRO B N 1 ATOM 4417 C CA . PRO B 1 159 ? 14.520 11.819 15.422 1.00 20.75 ? 158 PRO B CA 1 ATOM 4418 C C . PRO B 1 159 ? 13.781 13.080 14.922 1.00 20.39 ? 158 PRO B C 1 ATOM 4419 O O . PRO B 1 159 ? 13.978 13.530 13.781 1.00 20.28 ? 158 PRO B O 1 ATOM 4420 C CB . PRO B 1 159 ? 15.749 12.179 16.263 1.00 20.71 ? 158 PRO B CB 1 ATOM 4421 C CG . PRO B 1 159 ? 16.918 11.963 15.370 1.00 22.05 ? 158 PRO B CG 1 ATOM 4422 C CD . PRO B 1 159 ? 16.534 10.860 14.462 1.00 22.11 ? 158 PRO B CD 1 ATOM 4423 N N . VAL B 1 160 ? 12.946 13.614 15.799 1.00 20.28 ? 159 VAL B N 1 ATOM 4424 C CA . VAL B 1 160 ? 11.951 14.633 15.472 1.00 20.85 ? 159 VAL B CA 1 ATOM 4425 C C . VAL B 1 160 ? 12.435 16.046 15.830 1.00 19.48 ? 159 VAL B C 1 ATOM 4426 O O . VAL B 1 160 ? 13.180 16.226 16.808 1.00 19.33 ? 159 VAL B O 1 ATOM 4427 C CB . VAL B 1 160 ? 10.659 14.322 16.259 1.00 22.91 ? 159 VAL B CB 1 ATOM 4428 C CG1 . VAL B 1 160 ? 9.615 15.408 16.118 1.00 25.74 ? 159 VAL B CG1 1 ATOM 4429 C CG2 . VAL B 1 160 ? 10.110 12.967 15.849 1.00 24.20 ? 159 VAL B CG2 1 ATOM 4430 N N . VAL B 1 161 ? 12.015 17.030 15.044 1.00 17.14 ? 160 VAL B N 1 ATOM 4431 C CA . VAL B 1 161 ? 12.251 18.424 15.379 1.00 16.89 ? 160 VAL B CA 1 ATOM 4432 C C . VAL B 1 161 ? 10.962 18.981 15.963 1.00 17.09 ? 160 VAL B C 1 ATOM 4433 O O . VAL B 1 161 ? 9.906 18.909 15.318 1.00 17.34 ? 160 VAL B O 1 ATOM 4434 C CB . VAL B 1 161 ? 12.681 19.248 14.149 1.00 17.35 ? 160 VAL B CB 1 ATOM 4435 C CG1 . VAL B 1 161 ? 12.775 20.754 14.501 1.00 17.66 ? 160 VAL B CG1 1 ATOM 4436 C CG2 . VAL B 1 161 ? 14.021 18.750 13.633 1.00 17.81 ? 160 VAL B CG2 1 ATOM 4437 N N . LEU B 1 162 ? 11.050 19.506 17.181 1.00 17.10 ? 161 LEU B N 1 ATOM 4438 C CA . LEU B 1 162 ? 9.927 20.182 17.856 1.00 18.07 ? 161 LEU B CA 1 ATOM 4439 C C . LEU B 1 162 ? 9.982 21.660 17.526 1.00 17.21 ? 161 LEU B C 1 ATOM 4440 O O . LEU B 1 162 ? 11.038 22.275 17.642 1.00 17.70 ? 161 LEU B O 1 ATOM 4441 C CB . LEU B 1 162 ? 10.035 20.028 19.370 1.00 19.12 ? 161 LEU B CB 1 ATOM 4442 C CG . LEU B 1 162 ? 10.052 18.593 19.876 1.00 21.72 ? 161 LEU B CG 1 ATOM 4443 C CD1 . LEU B 1 162 ? 10.358 18.477 21.351 1.00 22.32 ? 161 LEU B CD1 1 ATOM 4444 C CD2 . LEU B 1 162 ? 8.708 17.971 19.575 1.00 24.34 ? 161 LEU B CD2 1 ATOM 4445 N N . VAL B 1 163 ? 8.864 22.225 17.086 1.00 16.24 ? 162 VAL B N 1 ATOM 4446 C CA . VAL B 1 163 ? 8.797 23.654 16.789 1.00 16.39 ? 162 VAL B CA 1 ATOM 4447 C C . VAL B 1 163 ? 7.673 24.205 17.637 1.00 16.28 ? 162 VAL B C 1 ATOM 4448 O O . VAL B 1 163 ? 6.517 23.798 17.445 1.00 16.97 ? 162 VAL B O 1 ATOM 4449 C CB . VAL B 1 163 ? 8.518 23.923 15.293 1.00 16.99 ? 162 VAL B CB 1 ATOM 4450 C CG1 . VAL B 1 163 ? 8.476 25.444 15.025 1.00 17.67 ? 162 VAL B CG1 1 ATOM 4451 C CG2 . VAL B 1 163 ? 9.572 23.273 14.408 1.00 17.66 ? 162 VAL B CG2 1 ATOM 4452 N N . ALA B 1 164 ? 7.975 25.129 18.569 1.00 15.63 ? 163 ALA B N 1 ATOM 4453 C CA . ALA B 1 164 ? 6.970 25.639 19.482 1.00 15.64 ? 163 ALA B CA 1 ATOM 4454 C C . ALA B 1 164 ? 6.900 27.165 19.473 1.00 15.71 ? 163 ALA B C 1 ATOM 4455 O O . ALA B 1 164 ? 7.902 27.831 19.257 1.00 15.34 ? 163 ALA B O 1 ATOM 4456 C CB . ALA B 1 164 ? 7.228 25.151 20.892 1.00 16.08 ? 163 ALA B CB 1 ATOM 4457 N N . HIS B 1 165 ? 5.696 27.691 19.677 1.00 15.55 ? 164 HIS B N 1 ATOM 4458 C CA . HIS B 1 165 ? 5.487 29.131 19.705 1.00 16.48 ? 164 HIS B CA 1 ATOM 4459 C C . HIS B 1 165 ? 4.943 29.538 21.073 1.00 16.33 ? 164 HIS B C 1 ATOM 4460 O O . HIS B 1 165 ? 4.055 28.896 21.627 1.00 15.41 ? 164 HIS B O 1 ATOM 4461 C CB . HIS B 1 165 ? 4.519 29.576 18.632 1.00 16.98 ? 164 HIS B CB 1 ATOM 4462 C CG . HIS B 1 165 ? 4.263 31.045 18.622 1.00 17.52 ? 164 HIS B CG 1 ATOM 4463 N ND1 . HIS B 1 165 ? 3.020 31.579 18.847 1.00 18.42 ? 164 HIS B ND1 1 ATOM 4464 C CD2 . HIS B 1 165 ? 5.092 32.097 18.406 1.00 18.27 ? 164 HIS B CD2 1 ATOM 4465 C CE1 . HIS B 1 165 ? 3.090 32.901 18.790 1.00 19.28 ? 164 HIS B CE1 1 ATOM 4466 N NE2 . HIS B 1 165 ? 4.337 33.239 18.505 1.00 19.14 ? 164 HIS B NE2 1 ATOM 4467 N N . SER B 1 166 ? 5.501 30.634 21.586 1.00 17.08 ? 165 SER B N 1 ATOM 4468 C CA . SER B 1 166 ? 5.001 31.295 22.767 1.00 18.02 ? 165 SER B CA 1 ATOM 4469 C C . SER B 1 166 ? 4.885 30.333 23.952 1.00 17.12 ? 165 SER B C 1 ATOM 4470 O O . SER B 1 166 ? 5.861 29.614 24.233 1.00 15.99 ? 165 SER B O 1 ATOM 4471 C CB . SER B 1 166 ? 3.696 32.010 22.414 1.00 20.43 ? 165 SER B CB 1 ATOM 4472 O OG . SER B 1 166 ? 3.407 33.002 23.378 1.00 22.35 ? 165 SER B OG 1 ATOM 4473 N N . MET B 1 167 ? 3.717 30.254 24.609 1.00 16.67 ? 166 MET B N 1 ATOM 4474 C CA . MET B 1 167 ? 3.552 29.356 25.754 1.00 18.31 ? 166 MET B CA 1 ATOM 4475 C C . MET B 1 167 ? 3.819 27.877 25.412 1.00 16.67 ? 166 MET B C 1 ATOM 4476 O O . MET B 1 167 ? 4.177 27.084 26.283 1.00 15.06 ? 166 MET B O 1 ATOM 4477 C CB . MET B 1 167 ? 2.130 29.461 26.306 1.00 19.70 ? 166 MET B CB 1 ATOM 4478 C CG . MET B 1 167 ? 1.897 28.600 27.524 1.00 21.78 ? 166 MET B CG 1 ATOM 4479 S SD . MET B 1 167 ? 0.261 28.969 28.223 1.00 22.22 ? 166 MET B SD 1 ATOM 4480 C CE . MET B 1 167 ? -0.787 27.875 27.297 1.00 20.97 ? 166 MET B CE 1 ATOM 4481 N N . GLY B 1 168 ? 3.674 27.513 24.142 1.00 16.17 ? 167 GLY B N 1 ATOM 4482 C CA . GLY B 1 168 ? 4.036 26.148 23.722 1.00 15.53 ? 167 GLY B CA 1 ATOM 4483 C C . GLY B 1 168 ? 5.460 25.784 24.074 1.00 15.59 ? 167 GLY B C 1 ATOM 4484 O O . GLY B 1 168 ? 5.798 24.603 24.274 1.00 15.73 ? 167 GLY B O 1 ATOM 4485 N N . ASN B 1 169 ? 6.346 26.772 24.127 1.00 15.47 ? 168 ASN B N 1 ATOM 4486 C CA . ASN B 1 169 ? 7.727 26.497 24.565 1.00 15.65 ? 168 ASN B CA 1 ATOM 4487 C C . ASN B 1 169 ? 7.840 26.031 26.018 1.00 15.92 ? 168 ASN B C 1 ATOM 4488 O O . ASN B 1 169 ? 8.684 25.214 26.353 1.00 15.93 ? 168 ASN B O 1 ATOM 4489 C CB . ASN B 1 169 ? 8.580 27.735 24.376 1.00 16.68 ? 168 ASN B CB 1 ATOM 4490 C CG . ASN B 1 169 ? 8.815 28.034 22.921 1.00 17.11 ? 168 ASN B CG 1 ATOM 4491 O OD1 . ASN B 1 169 ? 9.577 27.345 22.277 1.00 19.49 ? 168 ASN B OD1 1 ATOM 4492 N ND2 . ASN B 1 169 ? 8.128 29.024 22.389 1.00 17.67 ? 168 ASN B ND2 1 ATOM 4493 N N . MET B 1 170 ? 7.005 26.584 26.883 1.00 17.35 ? 169 MET B N 1 ATOM 4494 C CA . MET B 1 170 ? 7.003 26.214 28.291 1.00 18.23 ? 169 MET B CA 1 ATOM 4495 C C . MET B 1 170 ? 6.371 24.818 28.480 1.00 16.88 ? 169 MET B C 1 ATOM 4496 O O . MET B 1 170 ? 6.868 24.035 29.281 1.00 16.62 ? 169 MET B O 1 ATOM 4497 C CB . MET B 1 170 ? 6.301 27.312 29.105 1.00 20.62 ? 169 MET B CB 1 ATOM 4498 C CG . MET B 1 170 ? 7.157 28.591 29.211 1.00 24.13 ? 169 MET B CG 1 ATOM 4499 S SD . MET B 1 170 ? 8.462 28.366 30.426 1.00 30.22 ? 169 MET B SD 1 ATOM 4500 C CE . MET B 1 170 ? 7.563 28.583 31.972 1.00 29.99 ? 169 MET B CE 1 ATOM 4501 N N . TYR B 1 171 ? 5.317 24.505 27.722 1.00 16.38 ? 170 TYR B N 1 ATOM 4502 C CA . TYR B 1 171 ? 4.802 23.114 27.630 1.00 16.41 ? 170 TYR B CA 1 ATOM 4503 C C . TYR B 1 171 ? 5.892 22.129 27.179 1.00 16.44 ? 170 TYR B C 1 ATOM 4504 O O . TYR B 1 171 ? 6.071 21.081 27.780 1.00 16.45 ? 170 TYR B O 1 ATOM 4505 C CB . TYR B 1 171 ? 3.590 23.027 26.684 1.00 17.26 ? 170 TYR B CB 1 ATOM 4506 C CG . TYR B 1 171 ? 2.298 23.053 27.438 1.00 17.09 ? 170 TYR B CG 1 ATOM 4507 C CD1 . TYR B 1 171 ? 1.859 24.209 28.076 1.00 16.61 ? 170 TYR B CD1 1 ATOM 4508 C CD2 . TYR B 1 171 ? 1.543 21.918 27.564 1.00 18.17 ? 170 TYR B CD2 1 ATOM 4509 C CE1 . TYR B 1 171 ? 0.674 24.221 28.797 1.00 16.59 ? 170 TYR B CE1 1 ATOM 4510 C CE2 . TYR B 1 171 ? 0.378 21.920 28.284 1.00 18.00 ? 170 TYR B CE2 1 ATOM 4511 C CZ . TYR B 1 171 ? -0.047 23.074 28.902 1.00 17.95 ? 170 TYR B CZ 1 ATOM 4512 O OH . TYR B 1 171 ? -1.214 22.999 29.635 1.00 17.40 ? 170 TYR B OH 1 ATOM 4513 N N . THR B 1 172 ? 6.641 22.497 26.143 1.00 16.45 ? 171 THR B N 1 ATOM 4514 C CA . THR B 1 172 ? 7.710 21.654 25.607 1.00 16.30 ? 171 THR B CA 1 ATOM 4515 C C . THR B 1 172 ? 8.865 21.486 26.595 1.00 17.27 ? 171 THR B C 1 ATOM 4516 O O . THR B 1 172 ? 9.374 20.363 26.777 1.00 16.23 ? 171 THR B O 1 ATOM 4517 C CB . THR B 1 172 ? 8.191 22.179 24.242 1.00 16.83 ? 171 THR B CB 1 ATOM 4518 O OG1 . THR B 1 172 ? 7.083 22.273 23.336 1.00 17.21 ? 171 THR B OG1 1 ATOM 4519 C CG2 . THR B 1 172 ? 9.252 21.269 23.642 1.00 18.03 ? 171 THR B CG2 1 ATOM 4520 N N . LEU B 1 173 ? 9.267 22.582 27.267 1.00 16.88 ? 172 LEU B N 1 ATOM 4521 C CA . LEU B 1 173 ? 10.306 22.484 28.276 1.00 18.22 ? 172 LEU B CA 1 ATOM 4522 C C . LEU B 1 173 ? 9.889 21.575 29.448 1.00 18.53 ? 172 LEU B C 1 ATOM 4523 O O . LEU B 1 173 ? 10.678 20.720 29.908 1.00 18.39 ? 172 LEU B O 1 ATOM 4524 C CB . LEU B 1 173 ? 10.703 23.868 28.794 1.00 18.21 ? 172 LEU B CB 1 ATOM 4525 C CG . LEU B 1 173 ? 11.782 23.890 29.880 1.00 19.55 ? 172 LEU B CG 1 ATOM 4526 C CD1 . LEU B 1 173 ? 13.098 23.290 29.388 1.00 20.52 ? 172 LEU B CD1 1 ATOM 4527 C CD2 . LEU B 1 173 ? 11.975 25.331 30.349 1.00 19.89 ? 172 LEU B CD2 1 ATOM 4528 N N . TYR B 1 174 ? 8.652 21.736 29.907 1.00 17.95 ? 173 TYR B N 1 ATOM 4529 C CA . TYR B 1 174 ? 8.123 20.852 30.942 1.00 17.96 ? 173 TYR B CA 1 ATOM 4530 C C . TYR B 1 174 ? 8.255 19.400 30.492 1.00 17.62 ? 173 TYR B C 1 ATOM 4531 O O . TYR B 1 174 ? 8.753 18.546 31.252 1.00 18.40 ? 173 TYR B O 1 ATOM 4532 C CB . TYR B 1 174 ? 6.661 21.192 31.231 1.00 18.48 ? 173 TYR B CB 1 ATOM 4533 C CG . TYR B 1 174 ? 5.956 20.235 32.192 1.00 19.38 ? 173 TYR B CG 1 ATOM 4534 C CD1 . TYR B 1 174 ? 5.293 19.109 31.728 1.00 21.05 ? 173 TYR B CD1 1 ATOM 4535 C CD2 . TYR B 1 174 ? 5.923 20.491 33.562 1.00 21.16 ? 173 TYR B CD2 1 ATOM 4536 C CE1 . TYR B 1 174 ? 4.623 18.259 32.592 1.00 21.16 ? 173 TYR B CE1 1 ATOM 4537 C CE2 . TYR B 1 174 ? 5.259 19.645 34.436 1.00 22.36 ? 173 TYR B CE2 1 ATOM 4538 C CZ . TYR B 1 174 ? 4.603 18.541 33.941 1.00 22.96 ? 173 TYR B CZ 1 ATOM 4539 O OH . TYR B 1 174 ? 3.940 17.700 34.809 1.00 24.34 ? 173 TYR B OH 1 ATOM 4540 N N . PHE B 1 175 ? 7.780 19.114 29.288 1.00 17.13 ? 174 PHE B N 1 ATOM 4541 C CA . PHE B 1 175 ? 7.838 17.742 28.741 1.00 16.92 ? 174 PHE B CA 1 ATOM 4542 C C . PHE B 1 175 ? 9.282 17.217 28.738 1.00 17.97 ? 174 PHE B C 1 ATOM 4543 O O . PHE B 1 175 ? 9.561 16.122 29.261 1.00 17.53 ? 174 PHE B O 1 ATOM 4544 C CB . PHE B 1 175 ? 7.257 17.734 27.338 1.00 17.70 ? 174 PHE B CB 1 ATOM 4545 C CG . PHE B 1 175 ? 7.390 16.426 26.613 1.00 17.63 ? 174 PHE B CG 1 ATOM 4546 C CD1 . PHE B 1 175 ? 6.638 15.323 27.001 1.00 18.22 ? 174 PHE B CD1 1 ATOM 4547 C CD2 . PHE B 1 175 ? 8.273 16.299 25.554 1.00 17.62 ? 174 PHE B CD2 1 ATOM 4548 C CE1 . PHE B 1 175 ? 6.780 14.112 26.337 1.00 19.04 ? 174 PHE B CE1 1 ATOM 4549 C CE2 . PHE B 1 175 ? 8.421 15.089 24.883 1.00 18.26 ? 174 PHE B CE2 1 ATOM 4550 C CZ . PHE B 1 175 ? 7.664 14.010 25.271 1.00 19.06 ? 174 PHE B CZ 1 ATOM 4551 N N . LEU B 1 176 ? 10.200 17.993 28.173 1.00 17.54 ? 175 LEU B N 1 ATOM 4552 C CA . LEU B 1 176 ? 11.584 17.559 28.029 1.00 18.86 ? 175 LEU B CA 1 ATOM 4553 C C . LEU B 1 176 ? 12.309 17.394 29.360 1.00 19.69 ? 175 LEU B C 1 ATOM 4554 O O . LEU B 1 176 ? 13.127 16.482 29.527 1.00 20.54 ? 175 LEU B O 1 ATOM 4555 C CB . LEU B 1 176 ? 12.357 18.500 27.092 1.00 19.30 ? 175 LEU B CB 1 ATOM 4556 C CG . LEU B 1 176 ? 11.908 18.493 25.633 1.00 19.38 ? 175 LEU B CG 1 ATOM 4557 C CD1 . LEU B 1 176 ? 12.618 19.597 24.878 1.00 19.76 ? 175 LEU B CD1 1 ATOM 4558 C CD2 . LEU B 1 176 ? 12.147 17.150 24.945 1.00 20.07 ? 175 LEU B CD2 1 ATOM 4559 N N . GLN B 1 177 ? 12.040 18.278 30.311 1.00 20.74 ? 176 GLN B N 1 ATOM 4560 C CA . GLN B 1 177 ? 12.650 18.155 31.657 1.00 21.86 ? 176 GLN B CA 1 ATOM 4561 C C . GLN B 1 177 ? 12.258 16.843 32.342 1.00 22.80 ? 176 GLN B C 1 ATOM 4562 O O . GLN B 1 177 ? 13.014 16.323 33.151 1.00 23.61 ? 176 GLN B O 1 ATOM 4563 C CB . GLN B 1 177 ? 12.234 19.332 32.544 1.00 22.45 ? 176 GLN B CB 1 ATOM 4564 C CG . GLN B 1 177 ? 12.951 20.625 32.185 1.00 22.29 ? 176 GLN B CG 1 ATOM 4565 C CD . GLN B 1 177 ? 12.583 21.754 33.125 1.00 23.32 ? 176 GLN B CD 1 ATOM 4566 O OE1 . GLN B 1 177 ? 11.580 21.691 33.841 1.00 23.57 ? 176 GLN B OE1 1 ATOM 4567 N NE2 . GLN B 1 177 ? 13.391 22.817 33.120 1.00 23.99 ? 176 GLN B NE2 1 ATOM 4568 N N . ARG B 1 178 ? 11.091 16.308 31.984 1.00 22.29 ? 177 ARG B N 1 ATOM 4569 C CA . ARG B 1 178 ? 10.596 15.066 32.570 1.00 24.76 ? 177 ARG B CA 1 ATOM 4570 C C . ARG B 1 178 ? 10.869 13.808 31.774 1.00 24.43 ? 177 ARG B C 1 ATOM 4571 O O . ARG B 1 178 ? 10.476 12.737 32.212 1.00 25.16 ? 177 ARG B O 1 ATOM 4572 C CB . ARG B 1 178 ? 9.119 15.200 32.882 1.00 27.08 ? 177 ARG B CB 1 ATOM 4573 C CG . ARG B 1 178 ? 8.989 16.161 34.044 1.00 32.03 ? 177 ARG B CG 1 ATOM 4574 C CD . ARG B 1 178 ? 7.616 16.704 34.251 1.00 35.56 ? 177 ARG B CD 1 ATOM 4575 N NE . ARG B 1 178 ? 7.768 17.879 35.127 1.00 40.54 ? 177 ARG B NE 1 ATOM 4576 C CZ . ARG B 1 178 ? 7.438 17.954 36.415 1.00 45.44 ? 177 ARG B CZ 1 ATOM 4577 N NH1 . ARG B 1 178 ? 6.880 16.915 37.050 1.00 49.41 ? 177 ARG B NH1 1 ATOM 4578 N NH2 . ARG B 1 178 ? 7.643 19.104 37.070 1.00 42.99 ? 177 ARG B NH2 1 ATOM 4579 N N . GLN B 1 179 ? 11.587 13.896 30.657 1.00 22.63 ? 178 GLN B N 1 ATOM 4580 C CA . GLN B 1 179 ? 11.987 12.689 29.934 1.00 22.79 ? 178 GLN B CA 1 ATOM 4581 C C . GLN B 1 179 ? 13.441 12.398 30.262 1.00 23.99 ? 178 GLN B C 1 ATOM 4582 O O . GLN B 1 179 ? 14.245 13.313 30.316 1.00 23.26 ? 178 GLN B O 1 ATOM 4583 C CB . GLN B 1 179 ? 11.831 12.842 28.408 1.00 22.67 ? 178 GLN B CB 1 ATOM 4584 C CG . GLN B 1 179 ? 10.453 13.263 27.908 1.00 23.49 ? 178 GLN B CG 1 ATOM 4585 C CD . GLN B 1 179 ? 9.320 12.570 28.655 1.00 25.83 ? 178 GLN B CD 1 ATOM 4586 O OE1 . GLN B 1 179 ? 9.225 11.361 28.652 1.00 26.13 ? 178 GLN B OE1 1 ATOM 4587 N NE2 . GLN B 1 179 ? 8.472 13.349 29.319 1.00 28.42 ? 178 GLN B NE2 1 ATOM 4588 N N . PRO B 1 180 ? 13.793 11.117 30.457 1.00 23.95 ? 179 PRO B N 1 ATOM 4589 C CA . PRO B 1 180 ? 15.188 10.752 30.630 1.00 25.39 ? 179 PRO B CA 1 ATOM 4590 C C . PRO B 1 180 ? 16.087 11.245 29.489 1.00 24.81 ? 179 PRO B C 1 ATOM 4591 O O . PRO B 1 180 ? 15.669 11.311 28.333 1.00 22.95 ? 179 PRO B O 1 ATOM 4592 C CB . PRO B 1 180 ? 15.157 9.223 30.643 1.00 26.07 ? 179 PRO B CB 1 ATOM 4593 C CG . PRO B 1 180 ? 13.771 8.876 31.040 1.00 26.21 ? 179 PRO B CG 1 ATOM 4594 C CD . PRO B 1 180 ? 12.913 9.937 30.443 1.00 24.86 ? 179 PRO B CD 1 ATOM 4595 N N . GLN B 1 181 ? 17.329 11.585 29.830 1.00 25.59 ? 180 GLN B N 1 ATOM 4596 C CA . GLN B 1 181 ? 18.282 12.056 28.829 1.00 25.71 ? 180 GLN B CA 1 ATOM 4597 C C . GLN B 1 181 ? 18.449 11.050 27.689 1.00 24.79 ? 180 GLN B C 1 ATOM 4598 O O . GLN B 1 181 ? 18.550 11.439 26.521 1.00 24.68 ? 180 GLN B O 1 ATOM 4599 C CB . GLN B 1 181 ? 19.641 12.380 29.477 1.00 27.31 ? 180 GLN B CB 1 ATOM 4600 C CG . GLN B 1 181 ? 20.639 13.032 28.525 1.00 28.72 ? 180 GLN B CG 1 ATOM 4601 C CD . GLN B 1 181 ? 20.197 14.412 28.078 1.00 28.22 ? 180 GLN B CD 1 ATOM 4602 O OE1 . GLN B 1 181 ? 19.824 15.240 28.899 1.00 31.36 ? 180 GLN B OE1 1 ATOM 4603 N NE2 . GLN B 1 181 ? 20.189 14.654 26.780 1.00 27.79 ? 180 GLN B NE2 1 ATOM 4604 N N . ALA B 1 182 ? 18.485 9.754 27.996 1.00 24.52 ? 181 ALA B N 1 ATOM 4605 C CA . ALA B 1 182 ? 18.620 8.737 26.948 1.00 24.13 ? 181 ALA B CA 1 ATOM 4606 C C . ALA B 1 182 ? 17.442 8.760 25.951 1.00 22.52 ? 181 ALA B C 1 ATOM 4607 O O . ALA B 1 182 ? 17.617 8.507 24.765 1.00 22.25 ? 181 ALA B O 1 ATOM 4608 C CB . ALA B 1 182 ? 18.778 7.344 27.550 1.00 25.21 ? 181 ALA B CB 1 ATOM 4609 N N . TRP B 1 183 ? 16.254 9.075 26.445 1.00 21.39 ? 182 TRP B N 1 ATOM 4610 C CA . TRP B 1 183 ? 15.061 9.164 25.586 1.00 20.47 ? 182 TRP B CA 1 ATOM 4611 C C . TRP B 1 183 ? 15.224 10.358 24.634 1.00 19.97 ? 182 TRP B C 1 ATOM 4612 O O . TRP B 1 183 ? 15.006 10.249 23.428 1.00 19.39 ? 182 TRP B O 1 ATOM 4613 C CB . TRP B 1 183 ? 13.791 9.315 26.440 1.00 20.04 ? 182 TRP B CB 1 ATOM 4614 C CG . TRP B 1 183 ? 12.505 9.301 25.622 1.00 19.41 ? 182 TRP B CG 1 ATOM 4615 C CD1 . TRP B 1 183 ? 11.742 8.201 25.329 1.00 19.39 ? 182 TRP B CD1 1 ATOM 4616 C CD2 . TRP B 1 183 ? 11.899 10.399 24.944 1.00 18.72 ? 182 TRP B CD2 1 ATOM 4617 N NE1 . TRP B 1 183 ? 10.681 8.558 24.538 1.00 18.84 ? 182 TRP B NE1 1 ATOM 4618 C CE2 . TRP B 1 183 ? 10.764 9.904 24.278 1.00 18.95 ? 182 TRP B CE2 1 ATOM 4619 C CE3 . TRP B 1 183 ? 12.198 11.765 24.844 1.00 18.61 ? 182 TRP B CE3 1 ATOM 4620 C CZ2 . TRP B 1 183 ? 9.945 10.713 23.506 1.00 17.88 ? 182 TRP B CZ2 1 ATOM 4621 C CZ3 . TRP B 1 183 ? 11.370 12.573 24.092 1.00 18.12 ? 182 TRP B CZ3 1 ATOM 4622 C CH2 . TRP B 1 183 ? 10.249 12.039 23.427 1.00 17.79 ? 182 TRP B CH2 1 ATOM 4623 N N . LYS B 1 184 ? 15.633 11.495 25.188 1.00 20.50 ? 183 LYS B N 1 ATOM 4624 C CA . LYS B 1 184 ? 15.791 12.708 24.363 1.00 20.10 ? 183 LYS B CA 1 ATOM 4625 C C . LYS B 1 184 ? 16.902 12.538 23.312 1.00 20.91 ? 183 LYS B C 1 ATOM 4626 O O . LYS B 1 184 ? 16.748 12.968 22.153 1.00 20.92 ? 183 LYS B O 1 ATOM 4627 C CB . LYS B 1 184 ? 16.064 13.901 25.256 1.00 19.74 ? 183 LYS B CB 1 ATOM 4628 C CG . LYS B 1 184 ? 14.856 14.242 26.110 1.00 19.71 ? 183 LYS B CG 1 ATOM 4629 C CD . LYS B 1 184 ? 15.050 15.461 26.988 1.00 19.72 ? 183 LYS B CD 1 ATOM 4630 C CE . LYS B 1 184 ? 16.048 15.226 28.095 1.00 20.46 ? 183 LYS B CE 1 ATOM 4631 N NZ . LYS B 1 184 ? 15.930 16.279 29.128 1.00 20.77 ? 183 LYS B NZ 1 ATOM 4632 N N . ASP B 1 185 ? 17.989 11.871 23.701 1.00 22.05 ? 184 ASP B N 1 ATOM 4633 C CA . ASP B 1 185 ? 19.103 11.603 22.772 1.00 23.99 ? 184 ASP B CA 1 ATOM 4634 C C . ASP B 1 185 ? 18.672 10.736 21.598 1.00 23.54 ? 184 ASP B C 1 ATOM 4635 O O . ASP B 1 185 ? 19.151 10.898 20.481 1.00 22.41 ? 184 ASP B O 1 ATOM 4636 C CB . ASP B 1 185 ? 20.287 10.923 23.485 1.00 26.27 ? 184 ASP B CB 1 ATOM 4637 C CG . ASP B 1 185 ? 20.984 11.828 24.482 1.00 29.40 ? 184 ASP B CG 1 ATOM 4638 O OD1 . ASP B 1 185 ? 20.770 13.067 24.477 1.00 30.07 ? 184 ASP B OD1 1 ATOM 4639 O OD2 . ASP B 1 185 ? 21.784 11.299 25.290 1.00 31.94 ? 184 ASP B OD2 1 ATOM 4640 N N . LYS B 1 186 ? 17.748 9.816 21.836 1.00 21.99 ? 185 LYS B N 1 ATOM 4641 C CA . LYS B 1 186 ? 17.261 8.969 20.760 1.00 21.76 ? 185 LYS B CA 1 ATOM 4642 C C . LYS B 1 186 ? 16.219 9.667 19.868 1.00 20.47 ? 185 LYS B C 1 ATOM 4643 O O . LYS B 1 186 ? 16.290 9.576 18.645 1.00 20.43 ? 185 LYS B O 1 ATOM 4644 C CB . LYS B 1 186 ? 16.653 7.699 21.366 1.00 21.47 ? 185 LYS B CB 1 ATOM 4645 C CG . LYS B 1 186 ? 16.007 6.765 20.363 1.00 21.55 ? 185 LYS B CG 1 ATOM 4646 C CD . LYS B 1 186 ? 15.701 5.412 21.018 1.00 22.24 ? 185 LYS B CD 1 ATOM 4647 C CE . LYS B 1 186 ? 15.080 4.441 20.042 1.00 22.01 ? 185 LYS B CE 1 ATOM 4648 N NZ . LYS B 1 186 ? 14.656 3.220 20.768 1.00 22.90 ? 185 LYS B NZ 1 ATOM 4649 N N . TYR B 1 187 ? 15.238 10.322 20.494 1.00 19.92 ? 186 TYR B N 1 ATOM 4650 C CA . TYR B 1 187 ? 14.026 10.713 19.787 1.00 19.03 ? 186 TYR B CA 1 ATOM 4651 C C . TYR B 1 187 ? 13.946 12.158 19.313 1.00 18.27 ? 186 TYR B C 1 ATOM 4652 O O . TYR B 1 187 ? 13.095 12.468 18.476 1.00 18.34 ? 186 TYR B O 1 ATOM 4653 C CB . TYR B 1 187 ? 12.785 10.408 20.645 1.00 17.83 ? 186 TYR B CB 1 ATOM 4654 C CG . TYR B 1 187 ? 12.514 8.942 20.812 1.00 17.93 ? 186 TYR B CG 1 ATOM 4655 C CD1 . TYR B 1 187 ? 12.028 8.180 19.758 1.00 18.21 ? 186 TYR B CD1 1 ATOM 4656 C CD2 . TYR B 1 187 ? 12.768 8.302 22.032 1.00 18.12 ? 186 TYR B CD2 1 ATOM 4657 C CE1 . TYR B 1 187 ? 11.817 6.810 19.903 1.00 18.60 ? 186 TYR B CE1 1 ATOM 4658 C CE2 . TYR B 1 187 ? 12.539 6.941 22.188 1.00 18.68 ? 186 TYR B CE2 1 ATOM 4659 C CZ . TYR B 1 187 ? 12.051 6.203 21.132 1.00 18.81 ? 186 TYR B CZ 1 ATOM 4660 O OH . TYR B 1 187 ? 11.835 4.844 21.327 1.00 20.18 ? 186 TYR B OH 1 ATOM 4661 N N . ILE B 1 188 ? 14.758 13.036 19.877 1.00 19.02 ? 187 ILE B N 1 ATOM 4662 C CA . ILE B 1 188 ? 14.648 14.480 19.575 1.00 19.18 ? 187 ILE B CA 1 ATOM 4663 C C . ILE B 1 188 ? 15.874 14.938 18.809 1.00 20.30 ? 187 ILE B C 1 ATOM 4664 O O . ILE B 1 188 ? 17.001 14.750 19.279 1.00 20.54 ? 187 ILE B O 1 ATOM 4665 C CB . ILE B 1 188 ? 14.494 15.324 20.852 1.00 19.26 ? 187 ILE B CB 1 ATOM 4666 C CG1 . ILE B 1 188 ? 13.307 14.857 21.717 1.00 19.33 ? 187 ILE B CG1 1 ATOM 4667 C CG2 . ILE B 1 188 ? 14.339 16.816 20.508 1.00 19.47 ? 187 ILE B CG2 1 ATOM 4668 C CD1 . ILE B 1 188 ? 11.959 14.896 21.038 1.00 18.83 ? 187 ILE B CD1 1 ATOM 4669 N N . ARG B 1 189 ? 15.658 15.480 17.611 1.00 20.90 ? 188 ARG B N 1 ATOM 4670 C CA . ARG B 1 189 ? 16.736 16.015 16.788 1.00 21.99 ? 188 ARG B CA 1 ATOM 4671 C C . ARG B 1 189 ? 17.070 17.436 17.229 1.00 20.49 ? 188 ARG B C 1 ATOM 4672 O O . ARG B 1 189 ? 18.229 17.767 17.432 1.00 20.87 ? 188 ARG B O 1 ATOM 4673 C CB . ARG B 1 189 ? 16.352 16.018 15.322 1.00 23.46 ? 188 ARG B CB 1 ATOM 4674 C CG . ARG B 1 189 ? 17.466 16.507 14.420 1.00 28.13 ? 188 ARG B CG 1 ATOM 4675 C CD . ARG B 1 189 ? 17.076 16.359 12.961 1.00 32.74 ? 188 ARG B CD 1 ATOM 4676 N NE . ARG B 1 189 ? 18.236 16.449 12.094 1.00 42.12 ? 188 ARG B NE 1 ATOM 4677 C CZ . ARG B 1 189 ? 19.009 15.417 11.756 1.00 49.02 ? 188 ARG B CZ 1 ATOM 4678 N NH1 . ARG B 1 189 ? 18.744 14.170 12.182 1.00 52.81 ? 188 ARG B NH1 1 ATOM 4679 N NH2 . ARG B 1 189 ? 20.057 15.638 10.976 1.00 52.95 ? 188 ARG B NH2 1 ATOM 4680 N N . ALA B 1 190 ? 16.045 18.263 17.386 1.00 18.72 ? 189 ALA B N 1 ATOM 4681 C CA . ALA B 1 190 ? 16.238 19.646 17.802 1.00 19.14 ? 189 ALA B CA 1 ATOM 4682 C C . ALA B 1 190 ? 14.937 20.217 18.289 1.00 18.27 ? 189 ALA B C 1 ATOM 4683 O O . ALA B 1 190 ? 13.871 19.654 18.043 1.00 18.49 ? 189 ALA B O 1 ATOM 4684 C CB . ALA B 1 190 ? 16.774 20.463 16.628 1.00 19.55 ? 189 ALA B CB 1 ATOM 4685 N N . PHE B 1 191 ? 15.040 21.323 19.015 1.00 19.04 ? 190 PHE B N 1 ATOM 4686 C CA . PHE B 1 191 ? 13.901 22.089 19.537 1.00 18.36 ? 190 PHE B CA 1 ATOM 4687 C C . PHE B 1 191 ? 14.093 23.522 19.020 1.00 19.08 ? 190 PHE B C 1 ATOM 4688 O O . PHE B 1 191 ? 15.091 24.175 19.341 1.00 19.49 ? 190 PHE B O 1 ATOM 4689 C CB . PHE B 1 191 ? 13.920 21.982 21.061 1.00 18.74 ? 190 PHE B CB 1 ATOM 4690 C CG . PHE B 1 191 ? 12.909 22.834 21.812 1.00 18.45 ? 190 PHE B CG 1 ATOM 4691 C CD1 . PHE B 1 191 ? 11.832 23.447 21.202 1.00 18.78 ? 190 PHE B CD1 1 ATOM 4692 C CD2 . PHE B 1 191 ? 13.057 22.979 23.178 1.00 18.80 ? 190 PHE B CD2 1 ATOM 4693 C CE1 . PHE B 1 191 ? 10.952 24.241 21.935 1.00 19.05 ? 190 PHE B CE1 1 ATOM 4694 C CE2 . PHE B 1 191 ? 12.168 23.721 23.921 1.00 19.35 ? 190 PHE B CE2 1 ATOM 4695 C CZ . PHE B 1 191 ? 11.110 24.362 23.300 1.00 18.63 ? 190 PHE B CZ 1 ATOM 4696 N N . VAL B 1 192 ? 13.183 23.952 18.148 1.00 18.93 ? 191 VAL B N 1 ATOM 4697 C CA . VAL B 1 192 ? 13.170 25.314 17.615 1.00 18.88 ? 191 VAL B CA 1 ATOM 4698 C C . VAL B 1 192 ? 12.124 26.070 18.442 1.00 18.11 ? 191 VAL B C 1 ATOM 4699 O O . VAL B 1 192 ? 10.934 25.774 18.391 1.00 16.82 ? 191 VAL B O 1 ATOM 4700 C CB . VAL B 1 192 ? 12.838 25.346 16.111 1.00 19.72 ? 191 VAL B CB 1 ATOM 4701 C CG1 . VAL B 1 192 ? 12.761 26.779 15.593 1.00 21.18 ? 191 VAL B CG1 1 ATOM 4702 C CG2 . VAL B 1 192 ? 13.868 24.576 15.302 1.00 20.88 ? 191 VAL B CG2 1 ATOM 4703 N N . SER B 1 193 ? 12.599 27.061 19.187 1.00 18.40 ? 192 SER B N 1 ATOM 4704 C CA . SER B 1 193 ? 11.810 27.777 20.170 1.00 18.59 ? 192 SER B CA 1 ATOM 4705 C C . SER B 1 193 ? 11.517 29.179 19.642 1.00 18.47 ? 192 SER B C 1 ATOM 4706 O O . SER B 1 193 ? 12.453 29.968 19.424 1.00 18.85 ? 192 SER B O 1 ATOM 4707 C CB . SER B 1 193 ? 12.662 27.844 21.432 1.00 21.78 ? 192 SER B CB 1 ATOM 4708 O OG . SER B 1 193 ? 11.996 28.490 22.461 1.00 24.20 ? 192 SER B OG 1 ATOM 4709 N N . LEU B 1 194 ? 10.249 29.484 19.375 1.00 17.44 ? 193 LEU B N 1 ATOM 4710 C CA . LEU B 1 194 ? 9.866 30.771 18.792 1.00 18.79 ? 193 LEU B CA 1 ATOM 4711 C C . LEU B 1 194 ? 9.112 31.655 19.803 1.00 18.56 ? 193 LEU B C 1 ATOM 4712 O O . LEU B 1 194 ? 7.979 31.327 20.206 1.00 17.79 ? 193 LEU B O 1 ATOM 4713 C CB . LEU B 1 194 ? 8.991 30.544 17.552 1.00 19.23 ? 193 LEU B CB 1 ATOM 4714 C CG . LEU B 1 194 ? 9.525 29.617 16.459 1.00 20.44 ? 193 LEU B CG 1 ATOM 4715 C CD1 . LEU B 1 194 ? 8.479 29.406 15.379 1.00 21.53 ? 193 LEU B CD1 1 ATOM 4716 C CD2 . LEU B 1 194 ? 10.796 30.125 15.835 1.00 21.37 ? 193 LEU B CD2 1 ATOM 4717 N N . GLY B 1 195 ? 9.733 32.756 20.232 1.00 19.36 ? 194 GLY B N 1 ATOM 4718 C CA . GLY B 1 195 ? 9.052 33.699 21.120 1.00 18.93 ? 194 GLY B CA 1 ATOM 4719 C C . GLY B 1 195 ? 8.716 33.131 22.491 1.00 18.53 ? 194 GLY B C 1 ATOM 4720 O O . GLY B 1 195 ? 7.605 33.329 23.003 1.00 17.10 ? 194 GLY B O 1 ATOM 4721 N N . ALA B 1 196 ? 9.661 32.397 23.082 1.00 18.23 ? 195 ALA B N 1 ATOM 4722 C CA . ALA B 1 196 ? 9.427 31.718 24.367 1.00 18.10 ? 195 ALA B CA 1 ATOM 4723 C C . ALA B 1 196 ? 9.408 32.700 25.560 1.00 18.53 ? 195 ALA B C 1 ATOM 4724 O O . ALA B 1 196 ? 10.372 33.453 25.766 1.00 18.51 ? 195 ALA B O 1 ATOM 4725 C CB . ALA B 1 196 ? 10.488 30.668 24.615 1.00 17.38 ? 195 ALA B CB 1 ATOM 4726 N N . PRO B 1 197 ? 8.327 32.665 26.374 1.00 18.15 ? 196 PRO B N 1 ATOM 4727 C CA . PRO B 1 197 ? 8.240 33.490 27.605 1.00 18.70 ? 196 PRO B CA 1 ATOM 4728 C C . PRO B 1 197 ? 8.860 32.795 28.816 1.00 19.03 ? 196 PRO B C 1 ATOM 4729 O O . PRO B 1 197 ? 8.186 32.556 29.820 1.00 20.79 ? 196 PRO B O 1 ATOM 4730 C CB . PRO B 1 197 ? 6.721 33.665 27.777 1.00 18.16 ? 196 PRO B CB 1 ATOM 4731 C CG . PRO B 1 197 ? 6.189 32.346 27.334 1.00 18.25 ? 196 PRO B CG 1 ATOM 4732 C CD . PRO B 1 197 ? 7.063 31.935 26.151 1.00 18.53 ? 196 PRO B CD 1 ATOM 4733 N N A TRP B 1 198 ? 10.157 32.503 28.708 0.80 20.35 ? 197 TRP B N 1 ATOM 4734 N N B TRP B 1 198 ? 10.148 32.469 28.726 0.20 18.98 ? 197 TRP B N 1 ATOM 4735 C CA A TRP B 1 198 ? 10.873 31.852 29.760 0.80 20.38 ? 197 TRP B CA 1 ATOM 4736 C CA B TRP B 1 198 ? 10.836 31.607 29.713 0.20 18.45 ? 197 TRP B CA 1 ATOM 4737 C C A TRP B 1 198 ? 10.827 32.882 30.902 0.80 20.60 ? 197 TRP B C 1 ATOM 4738 C C B TRP B 1 198 ? 10.580 31.818 31.238 0.20 17.99 ? 197 TRP B C 1 ATOM 4739 O O A TRP B 1 198 ? 11.133 34.079 30.753 0.80 23.55 ? 197 TRP B O 1 ATOM 4740 O O B TRP B 1 198 ? 10.306 30.861 31.961 0.20 17.00 ? 197 TRP B O 1 ATOM 4741 C CB A TRP B 1 198 ? 12.338 31.638 29.413 0.80 20.68 ? 197 TRP B CB 1 ATOM 4742 C CB B TRP B 1 198 ? 12.334 31.612 29.422 0.20 19.03 ? 197 TRP B CB 1 ATOM 4743 C CG A TRP B 1 198 ? 12.669 30.930 28.094 0.80 20.83 ? 197 TRP B CG 1 ATOM 4744 C CG B TRP B 1 198 ? 12.697 30.917 28.111 0.20 19.24 ? 197 TRP B CG 1 ATOM 4745 C CD1 A TRP B 1 198 ? 13.496 31.395 27.125 0.80 20.86 ? 197 TRP B CD1 1 ATOM 4746 C CD1 B TRP B 1 198 ? 13.513 31.395 27.126 0.20 19.60 ? 197 TRP B CD1 1 ATOM 4747 C CD2 A TRP B 1 198 ? 12.243 29.629 27.663 0.80 21.29 ? 197 TRP B CD2 1 ATOM 4748 C CD2 B TRP B 1 198 ? 12.253 29.623 27.666 0.20 19.19 ? 197 TRP B CD2 1 ATOM 4749 N NE1 A TRP B 1 198 ? 13.599 30.487 26.109 0.80 21.85 ? 197 TRP B NE1 1 ATOM 4750 N NE1 B TRP B 1 198 ? 13.608 30.481 26.103 0.20 19.85 ? 197 TRP B NE1 1 ATOM 4751 C CE2 A TRP B 1 198 ? 12.841 29.391 26.414 0.80 21.73 ? 197 TRP B CE2 1 ATOM 4752 C CE2 B TRP B 1 198 ? 12.847 29.386 26.411 0.20 19.50 ? 197 TRP B CE2 1 ATOM 4753 C CE3 A TRP B 1 198 ? 11.398 28.653 28.206 0.80 22.30 ? 197 TRP B CE3 1 ATOM 4754 C CE3 B TRP B 1 198 ? 11.414 28.645 28.210 0.20 19.16 ? 197 TRP B CE3 1 ATOM 4755 C CZ2 A TRP B 1 198 ? 12.631 28.200 25.685 0.80 22.82 ? 197 TRP B CZ2 1 ATOM 4756 C CZ2 B TRP B 1 198 ? 12.626 28.207 25.684 0.20 19.65 ? 197 TRP B CZ2 1 ATOM 4757 C CZ3 A TRP B 1 198 ? 11.185 27.473 27.476 0.80 21.56 ? 197 TRP B CZ3 1 ATOM 4758 C CZ3 B TRP B 1 198 ? 11.197 27.475 27.486 0.20 18.92 ? 197 TRP B CZ3 1 ATOM 4759 C CH2 A TRP B 1 198 ? 11.795 27.267 26.246 0.80 21.30 ? 197 TRP B CH2 1 ATOM 4760 C CH2 B TRP B 1 198 ? 11.799 27.270 26.243 0.20 19.03 ? 197 TRP B CH2 1 ATOM 4761 N N A GLY B 1 199 ? 10.469 32.421 32.057 0.80 20.86 ? 198 GLY B N 1 ATOM 4762 N N B GLY B 1 199 ? 10.679 33.056 31.716 0.20 18.20 ? 198 GLY B N 1 ATOM 4763 C CA A GLY B 1 199 ? 10.410 33.333 33.211 0.80 20.64 ? 198 GLY B CA 1 ATOM 4764 C CA B GLY B 1 199 ? 10.436 33.404 33.136 0.20 18.68 ? 198 GLY B CA 1 ATOM 4765 C C A GLY B 1 199 ? 9.191 34.255 33.300 0.80 19.43 ? 198 GLY B C 1 ATOM 4766 C C B GLY B 1 199 ? 9.201 34.278 33.281 0.20 18.62 ? 198 GLY B C 1 ATOM 4767 O O A GLY B 1 199 ? 9.162 35.127 34.155 0.80 18.33 ? 198 GLY B O 1 ATOM 4768 O O B GLY B 1 199 ? 9.157 35.136 34.154 0.20 18.49 ? 198 GLY B O 1 ATOM 4769 N N . GLY B 1 200 ? 8.197 34.036 32.437 1.00 18.80 ? 199 GLY B N 1 ATOM 4770 C CA . GLY B 1 200 ? 6.913 34.754 32.475 1.00 19.03 ? 199 GLY B CA 1 ATOM 4771 C C . GLY B 1 200 ? 6.970 36.098 31.763 1.00 20.08 ? 199 GLY B C 1 ATOM 4772 O O . GLY B 1 200 ? 8.044 36.509 31.309 1.00 20.34 ? 199 GLY B O 1 ATOM 4773 N N . VAL B 1 201 ? 5.830 36.783 31.678 1.00 18.83 ? 200 VAL B N 1 ATOM 4774 C CA . VAL B 1 201 ? 5.783 38.075 30.989 1.00 19.96 ? 200 VAL B CA 1 ATOM 4775 C C . VAL B 1 201 ? 5.071 39.120 31.835 1.00 19.38 ? 200 VAL B C 1 ATOM 4776 O O . VAL B 1 201 ? 4.097 38.803 32.516 1.00 18.17 ? 200 VAL B O 1 ATOM 4777 C CB . VAL B 1 201 ? 5.143 37.993 29.586 1.00 23.08 ? 200 VAL B CB 1 ATOM 4778 C CG1 . VAL B 1 201 ? 5.886 36.992 28.679 1.00 24.13 ? 200 VAL B CG1 1 ATOM 4779 C CG2 . VAL B 1 201 ? 3.689 37.622 29.656 1.00 22.75 ? 200 VAL B CG2 1 ATOM 4780 N N . ALA B 1 202 ? 5.528 40.367 31.770 1.00 19.17 ? 201 ALA B N 1 ATOM 4781 C CA . ALA B 1 202 ? 4.986 41.419 32.608 1.00 19.82 ? 201 ALA B CA 1 ATOM 4782 C C . ALA B 1 202 ? 3.507 41.673 32.311 1.00 20.32 ? 201 ALA B C 1 ATOM 4783 O O . ALA B 1 202 ? 2.745 41.996 33.208 1.00 20.58 ? 201 ALA B O 1 ATOM 4784 C CB . ALA B 1 202 ? 5.767 42.705 32.410 1.00 19.78 ? 201 ALA B CB 1 ATOM 4785 N N . LYS B 1 203 ? 3.085 41.543 31.061 1.00 20.97 ? 202 LYS B N 1 ATOM 4786 C CA . LYS B 1 203 ? 1.698 41.915 30.743 1.00 22.70 ? 202 LYS B CA 1 ATOM 4787 C C . LYS B 1 203 ? 0.621 41.030 31.396 1.00 21.35 ? 202 LYS B C 1 ATOM 4788 O O . LYS B 1 203 ? -0.550 41.418 31.450 1.00 19.96 ? 202 LYS B O 1 ATOM 4789 C CB . LYS B 1 203 ? 1.464 42.054 29.245 1.00 27.42 ? 202 LYS B CB 1 ATOM 4790 C CG . LYS B 1 203 ? 1.312 40.783 28.478 1.00 32.27 ? 202 LYS B CG 1 ATOM 4791 C CD . LYS B 1 203 ? 1.030 41.069 27.007 1.00 39.09 ? 202 LYS B CD 1 ATOM 4792 C CE . LYS B 1 203 ? -0.204 41.932 26.825 1.00 42.75 ? 202 LYS B CE 1 ATOM 4793 N NZ . LYS B 1 203 ? -0.794 41.790 25.469 1.00 47.34 ? 202 LYS B NZ 1 ATOM 4794 N N . THR B 1 204 ? 1.018 39.871 31.914 1.00 19.82 ? 203 THR B N 1 ATOM 4795 C CA . THR B 1 204 ? 0.127 38.998 32.679 1.00 20.48 ? 203 THR B CA 1 ATOM 4796 C C . THR B 1 204 ? -0.512 39.737 33.883 1.00 19.77 ? 203 THR B C 1 ATOM 4797 O O . THR B 1 204 ? -1.680 39.518 34.207 1.00 18.22 ? 203 THR B O 1 ATOM 4798 C CB . THR B 1 204 ? 0.904 37.788 33.207 1.00 22.10 ? 203 THR B CB 1 ATOM 4799 O OG1 . THR B 1 204 ? 1.580 37.125 32.119 1.00 24.25 ? 203 THR B OG1 1 ATOM 4800 C CG2 . THR B 1 204 ? -0.020 36.818 33.841 1.00 23.38 ? 203 THR B CG2 1 ATOM 4801 N N . LEU B 1 205 ? 0.242 40.631 34.512 1.00 19.91 ? 204 LEU B N 1 ATOM 4802 C CA . LEU B 1 205 ? -0.317 41.437 35.607 1.00 21.24 ? 204 LEU B CA 1 ATOM 4803 C C . LEU B 1 205 ? -1.492 42.294 35.138 1.00 21.30 ? 204 LEU B C 1 ATOM 4804 O O . LEU B 1 205 ? -2.514 42.354 35.806 1.00 20.27 ? 204 LEU B O 1 ATOM 4805 C CB . LEU B 1 205 ? 0.723 42.377 36.198 1.00 22.63 ? 204 LEU B CB 1 ATOM 4806 C CG . LEU B 1 205 ? 1.792 41.881 37.182 1.00 25.50 ? 204 LEU B CG 1 ATOM 4807 C CD1 . LEU B 1 205 ? 1.242 41.323 38.483 1.00 27.05 ? 204 LEU B CD1 1 ATOM 4808 C CD2 . LEU B 1 205 ? 2.751 40.904 36.570 1.00 24.17 ? 204 LEU B CD2 1 ATOM 4809 N N . ARG B 1 206 ? -1.367 42.944 33.987 1.00 21.23 ? 205 ARG B N 1 ATOM 4810 C CA . ARG B 1 206 ? -2.458 43.776 33.463 1.00 22.31 ? 205 ARG B CA 1 ATOM 4811 C C . ARG B 1 206 ? -3.664 42.916 33.079 1.00 21.62 ? 205 ARG B C 1 ATOM 4812 O O . ARG B 1 206 ? -4.800 43.286 33.349 1.00 21.37 ? 205 ARG B O 1 ATOM 4813 C CB . ARG B 1 206 ? -2.011 44.618 32.260 1.00 25.28 ? 205 ARG B CB 1 ATOM 4814 C CG . ARG B 1 206 ? -3.131 45.454 31.646 1.00 28.96 ? 205 ARG B CG 1 ATOM 4815 C CD . ARG B 1 206 ? -2.619 46.184 30.410 1.00 35.00 ? 205 ARG B CD 1 ATOM 4816 N NE . ARG B 1 206 ? -3.564 47.131 29.813 1.00 41.03 ? 205 ARG B NE 1 ATOM 4817 C CZ . ARG B 1 206 ? -4.492 46.825 28.910 1.00 45.46 ? 205 ARG B CZ 1 ATOM 4818 N NH1 . ARG B 1 206 ? -4.640 45.582 28.466 1.00 46.31 ? 205 ARG B NH1 1 ATOM 4819 N NH2 . ARG B 1 206 ? -5.293 47.783 28.451 1.00 46.95 ? 205 ARG B NH2 1 ATOM 4820 N N . VAL B 1 207 ? -3.408 41.773 32.428 1.00 20.99 ? 206 VAL B N 1 ATOM 4821 C CA . VAL B 1 207 ? -4.474 40.843 32.042 1.00 21.22 ? 206 VAL B CA 1 ATOM 4822 C C . VAL B 1 207 ? -5.324 40.484 33.265 1.00 20.30 ? 206 VAL B C 1 ATOM 4823 O O . VAL B 1 207 ? -6.557 40.623 33.242 1.00 21.69 ? 206 VAL B O 1 ATOM 4824 C CB . VAL B 1 207 ? -3.916 39.558 31.361 1.00 20.66 ? 206 VAL B CB 1 ATOM 4825 C CG1 . VAL B 1 207 ? -5.015 38.529 31.130 1.00 22.42 ? 206 VAL B CG1 1 ATOM 4826 C CG2 . VAL B 1 207 ? -3.240 39.914 30.049 1.00 21.90 ? 206 VAL B CG2 1 ATOM 4827 N N . LEU B 1 208 ? -4.669 40.040 34.328 1.00 18.98 ? 207 LEU B N 1 ATOM 4828 C CA . LEU B 1 208 ? -5.369 39.580 35.523 1.00 19.38 ? 207 LEU B CA 1 ATOM 4829 C C . LEU B 1 208 ? -6.054 40.736 36.249 1.00 20.06 ? 207 LEU B C 1 ATOM 4830 O O . LEU B 1 208 ? -7.149 40.569 36.765 1.00 19.13 ? 207 LEU B O 1 ATOM 4831 C CB . LEU B 1 208 ? -4.394 38.864 36.466 1.00 19.68 ? 207 LEU B CB 1 ATOM 4832 C CG . LEU B 1 208 ? -3.888 37.520 35.935 1.00 19.13 ? 207 LEU B CG 1 ATOM 4833 C CD1 . LEU B 1 208 ? -2.681 37.052 36.707 1.00 19.71 ? 207 LEU B CD1 1 ATOM 4834 C CD2 . LEU B 1 208 ? -4.992 36.474 36.015 1.00 19.93 ? 207 LEU B CD2 1 ATOM 4835 N N . ALA B 1 209 ? -5.395 41.892 36.317 1.00 19.24 ? 208 ALA B N 1 ATOM 4836 C CA . ALA B 1 209 ? -5.940 43.026 37.060 1.00 20.44 ? 208 ALA B CA 1 ATOM 4837 C C . ALA B 1 209 ? -7.160 43.609 36.363 1.00 21.98 ? 208 ALA B C 1 ATOM 4838 O O . ALA B 1 209 ? -8.220 43.732 36.982 1.00 22.18 ? 208 ALA B O 1 ATOM 4839 C CB . ALA B 1 209 ? -4.877 44.120 37.280 1.00 19.92 ? 208 ALA B CB 1 ATOM 4840 N N . SER B 1 210 ? -7.005 43.979 35.094 1.00 22.63 ? 209 SER B N 1 ATOM 4841 C CA . SER B 1 210 ? -7.979 44.807 34.420 1.00 24.96 ? 209 SER B CA 1 ATOM 4842 C C . SER B 1 210 ? -8.476 44.268 33.077 1.00 26.37 ? 209 SER B C 1 ATOM 4843 O O . SER B 1 210 ? -9.292 44.907 32.432 1.00 28.13 ? 209 SER B O 1 ATOM 4844 C CB . SER B 1 210 ? -7.439 46.266 34.329 1.00 26.83 ? 209 SER B CB 1 ATOM 4845 O OG . SER B 1 210 ? -6.141 46.360 33.818 1.00 26.91 ? 209 SER B OG 1 ATOM 4846 N N . GLY B 1 211 ? -8.018 43.079 32.672 1.00 26.36 ? 210 GLY B N 1 ATOM 4847 C CA . GLY B 1 211 ? -8.465 42.437 31.434 1.00 27.94 ? 210 GLY B CA 1 ATOM 4848 C C . GLY B 1 211 ? -7.704 42.954 30.226 1.00 30.48 ? 210 GLY B C 1 ATOM 4849 O O . GLY B 1 211 ? -7.093 44.021 30.263 1.00 30.30 ? 210 GLY B O 1 ATOM 4850 N N . ASP B 1 212 ? -7.733 42.184 29.149 1.00 33.48 ? 211 ASP B N 1 ATOM 4851 C CA . ASP B 1 212 ? -7.086 42.583 27.912 1.00 35.32 ? 211 ASP B CA 1 ATOM 4852 C C . ASP B 1 212 ? -8.012 42.211 26.757 1.00 37.41 ? 211 ASP B C 1 ATOM 4853 O O . ASP B 1 212 ? -8.125 41.040 26.394 1.00 36.21 ? 211 ASP B O 1 ATOM 4854 C CB . ASP B 1 212 ? -5.731 41.876 27.763 1.00 35.46 ? 211 ASP B CB 1 ATOM 4855 C CG . ASP B 1 212 ? -4.945 42.337 26.532 1.00 39.12 ? 211 ASP B CG 1 ATOM 4856 O OD1 . ASP B 1 212 ? -5.417 43.210 25.771 1.00 39.72 ? 211 ASP B OD1 1 ATOM 4857 O OD2 . ASP B 1 212 ? -3.832 41.812 26.334 1.00 45.33 ? 211 ASP B OD2 1 ATOM 4858 N N . ASN B 1 213 ? -8.655 43.216 26.177 1.00 39.31 ? 212 ASN B N 1 ATOM 4859 C CA . ASN B 1 213 ? -9.542 43.002 25.025 1.00 44.81 ? 212 ASN B CA 1 ATOM 4860 C C . ASN B 1 213 ? -8.849 43.220 23.683 1.00 50.12 ? 212 ASN B C 1 ATOM 4861 O O . ASN B 1 213 ? -9.527 43.347 22.657 1.00 49.34 ? 212 ASN B O 1 ATOM 4862 C CB . ASN B 1 213 ? -10.803 43.857 25.161 1.00 46.47 ? 212 ASN B CB 1 ATOM 4863 C CG . ASN B 1 213 ? -10.519 45.331 24.966 1.00 48.99 ? 212 ASN B CG 1 ATOM 4864 O OD1 . ASN B 1 213 ? -9.363 45.731 24.842 1.00 47.79 ? 212 ASN B OD1 1 ATOM 4865 N ND2 . ASN B 1 213 ? -11.558 46.148 24.944 1.00 51.58 ? 212 ASN B ND2 1 ATOM 4866 N N . ASN B 1 214 ? -7.515 43.312 23.699 1.00 53.07 ? 213 ASN B N 1 ATOM 4867 C CA . ASN B 1 214 ? -6.709 43.240 22.495 1.00 59.19 ? 213 ASN B CA 1 ATOM 4868 C C . ASN B 1 214 ? -7.042 44.283 21.453 1.00 62.53 ? 213 ASN B C 1 ATOM 4869 O O . ASN B 1 214 ? -6.737 44.066 20.299 1.00 63.96 ? 213 ASN B O 1 ATOM 4870 C CB . ASN B 1 214 ? -6.896 41.846 21.905 1.00 63.07 ? 213 ASN B CB 1 ATOM 4871 C CG . ASN B 1 214 ? -5.807 41.450 20.926 1.00 65.83 ? 213 ASN B CG 1 ATOM 4872 O OD1 . ASN B 1 214 ? -4.847 42.187 20.687 1.00 69.10 ? 213 ASN B OD1 1 ATOM 4873 N ND2 . ASN B 1 214 ? -5.944 40.258 20.369 1.00 67.14 ? 213 ASN B ND2 1 ATOM 4874 N N . ARG B 1 215 ? -7.673 45.390 21.865 1.00 70.31 ? 214 ARG B N 1 ATOM 4875 C CA . ARG B 1 215 ? -8.134 46.488 20.976 1.00 76.75 ? 214 ARG B CA 1 ATOM 4876 C C . ARG B 1 215 ? -9.329 46.087 20.087 1.00 76.96 ? 214 ARG B C 1 ATOM 4877 O O . ARG B 1 215 ? -9.566 46.675 19.028 1.00 82.89 ? 214 ARG B O 1 ATOM 4878 C CB . ARG B 1 215 ? -6.968 47.095 20.171 1.00 79.96 ? 214 ARG B CB 1 ATOM 4879 C CG . ARG B 1 215 ? -5.900 47.780 21.020 1.00 81.87 ? 214 ARG B CG 1 ATOM 4880 C CD . ARG B 1 215 ? -4.620 47.981 20.254 1.00 84.82 ? 214 ARG B CD 1 ATOM 4881 N NE . ARG B 1 215 ? -3.841 46.730 20.092 1.00 86.07 ? 214 ARG B NE 1 ATOM 4882 C CZ . ARG B 1 215 ? -3.850 45.912 19.026 1.00 87.65 ? 214 ARG B CZ 1 ATOM 4883 N NH1 . ARG B 1 215 ? -4.625 46.126 17.959 1.00 89.31 ? 214 ARG B NH1 1 ATOM 4884 N NH2 . ARG B 1 215 ? -3.071 44.826 19.035 1.00 85.86 ? 214 ARG B NH2 1 ATOM 4885 N N . ILE B 1 216 ? -10.065 45.075 20.549 1.00 74.32 ? 215 ILE B N 1 ATOM 4886 C CA . ILE B 1 216 ? -11.403 44.738 20.084 1.00 70.76 ? 215 ILE B CA 1 ATOM 4887 C C . ILE B 1 216 ? -12.380 45.462 21.013 1.00 72.57 ? 215 ILE B C 1 ATOM 4888 O O . ILE B 1 216 ? -12.802 44.871 22.000 1.00 75.73 ? 215 ILE B O 1 ATOM 4889 C CB . ILE B 1 216 ? -11.624 43.215 20.121 1.00 67.65 ? 215 ILE B CB 1 ATOM 4890 C CG1 . ILE B 1 216 ? -10.612 42.544 19.196 1.00 63.50 ? 215 ILE B CG1 1 ATOM 4891 C CG2 . ILE B 1 216 ? -13.049 42.843 19.697 1.00 69.10 ? 215 ILE B CG2 1 ATOM 4892 C CD1 . ILE B 1 216 ? -10.309 41.122 19.579 1.00 61.23 ? 215 ILE B CD1 1 ATOM 4893 N N . PRO B 1 217 ? -12.717 46.749 20.723 1.00 73.46 ? 216 PRO B N 1 ATOM 4894 C CA . PRO B 1 217 ? -13.551 47.575 21.622 1.00 73.71 ? 216 PRO B CA 1 ATOM 4895 C C . PRO B 1 217 ? -14.978 47.078 21.859 1.00 72.37 ? 216 PRO B C 1 ATOM 4896 O O . PRO B 1 217 ? -15.616 47.502 22.828 1.00 75.19 ? 216 PRO B O 1 ATOM 4897 C CB . PRO B 1 217 ? -13.602 48.939 20.907 1.00 76.81 ? 216 PRO B CB 1 ATOM 4898 C CG . PRO B 1 217 ? -13.334 48.629 19.478 1.00 75.62 ? 216 PRO B CG 1 ATOM 4899 C CD . PRO B 1 217 ? -12.320 47.524 19.533 1.00 75.46 ? 216 PRO B CD 1 ATOM 4900 N N . VAL B 1 218 ? -15.488 46.219 20.981 1.00 68.32 ? 217 VAL B N 1 ATOM 4901 C CA . VAL B 1 218 ? -16.808 45.642 21.198 1.00 66.45 ? 217 VAL B CA 1 ATOM 4902 C C . VAL B 1 218 ? -16.782 44.586 22.315 1.00 62.79 ? 217 VAL B C 1 ATOM 4903 O O . VAL B 1 218 ? -17.830 44.115 22.745 1.00 61.40 ? 217 VAL B O 1 ATOM 4904 C CB . VAL B 1 218 ? -17.403 45.064 19.892 1.00 67.88 ? 217 VAL B CB 1 ATOM 4905 C CG1 . VAL B 1 218 ? -16.772 43.721 19.538 1.00 67.13 ? 217 VAL B CG1 1 ATOM 4906 C CG2 . VAL B 1 218 ? -18.920 44.948 20.001 1.00 69.65 ? 217 VAL B CG2 1 ATOM 4907 N N . ILE B 1 219 ? -15.589 44.189 22.765 1.00 58.16 ? 218 ILE B N 1 ATOM 4908 C CA . ILE B 1 219 ? -15.472 43.334 23.955 1.00 55.72 ? 218 ILE B CA 1 ATOM 4909 C C . ILE B 1 219 ? -14.972 44.181 25.114 1.00 51.00 ? 218 ILE B C 1 ATOM 4910 O O . ILE B 1 219 ? -13.889 44.716 25.027 1.00 48.74 ? 218 ILE B O 1 ATOM 4911 C CB . ILE B 1 219 ? -14.491 42.161 23.720 1.00 53.94 ? 218 ILE B CB 1 ATOM 4912 C CG1 . ILE B 1 219 ? -14.831 41.444 22.425 1.00 54.25 ? 218 ILE B CG1 1 ATOM 4913 C CG2 . ILE B 1 219 ? -14.537 41.164 24.866 1.00 54.99 ? 218 ILE B CG2 1 ATOM 4914 C CD1 . ILE B 1 219 ? -13.826 40.387 22.043 1.00 54.43 ? 218 ILE B CD1 1 ATOM 4915 N N . GLY B 1 220 ? -15.761 44.331 26.176 1.00 48.57 ? 219 GLY B N 1 ATOM 4916 C CA . GLY B 1 220 ? -15.301 45.069 27.349 1.00 48.90 ? 219 GLY B CA 1 ATOM 4917 C C . GLY B 1 220 ? -14.118 44.329 27.959 1.00 47.00 ? 219 GLY B C 1 ATOM 4918 O O . GLY B 1 220 ? -14.136 43.093 28.034 1.00 44.54 ? 219 GLY B O 1 ATOM 4919 N N . PRO B 1 221 ? -13.068 45.065 28.366 1.00 45.30 ? 220 PRO B N 1 ATOM 4920 C CA . PRO B 1 221 ? -11.960 44.367 29.010 1.00 42.04 ? 220 PRO B CA 1 ATOM 4921 C C . PRO B 1 221 ? -12.400 43.679 30.316 1.00 41.15 ? 220 PRO B C 1 ATOM 4922 O O . PRO B 1 221 ? -11.904 42.613 30.625 1.00 36.37 ? 220 PRO B O 1 ATOM 4923 C CB . PRO B 1 221 ? -10.940 45.486 29.270 1.00 43.00 ? 220 PRO B CB 1 ATOM 4924 C CG . PRO B 1 221 ? -11.759 46.735 29.356 1.00 45.67 ? 220 PRO B CG 1 ATOM 4925 C CD . PRO B 1 221 ? -12.865 46.527 28.353 1.00 46.03 ? 220 PRO B CD 1 ATOM 4926 N N . LEU B 1 222 ? -13.321 44.278 31.072 1.00 41.98 ? 221 LEU B N 1 ATOM 4927 C CA . LEU B 1 222 ? -13.766 43.687 32.343 1.00 43.05 ? 221 LEU B CA 1 ATOM 4928 C C . LEU B 1 222 ? -14.594 42.412 32.143 1.00 42.29 ? 221 LEU B C 1 ATOM 4929 O O . LEU B 1 222 ? -14.623 41.551 33.012 1.00 40.74 ? 221 LEU B O 1 ATOM 4930 C CB . LEU B 1 222 ? -14.532 44.708 33.191 1.00 44.54 ? 221 LEU B CB 1 ATOM 4931 C CG . LEU B 1 222 ? -13.781 45.985 33.616 1.00 46.50 ? 221 LEU B CG 1 ATOM 4932 C CD1 . LEU B 1 222 ? -14.639 46.812 34.565 1.00 47.74 ? 221 LEU B CD1 1 ATOM 4933 C CD2 . LEU B 1 222 ? -12.428 45.689 34.256 1.00 46.77 ? 221 LEU B CD2 1 ATOM 4934 N N . LYS B 1 223 ? -15.250 42.293 30.995 1.00 42.56 ? 222 LYS B N 1 ATOM 4935 C CA . LYS B 1 223 ? -16.027 41.102 30.636 1.00 41.83 ? 222 LYS B CA 1 ATOM 4936 C C . LYS B 1 223 ? -15.085 39.950 30.289 1.00 38.92 ? 222 LYS B C 1 ATOM 4937 O O . LYS B 1 223 ? -15.189 38.866 30.857 1.00 38.44 ? 222 LYS B O 1 ATOM 4938 C CB . LYS B 1 223 ? -16.962 41.450 29.460 1.00 44.50 ? 222 LYS B CB 1 ATOM 4939 C CG . LYS B 1 223 ? -17.879 40.373 28.898 1.00 46.46 ? 222 LYS B CG 1 ATOM 4940 C CD . LYS B 1 223 ? -18.730 39.672 29.956 1.00 46.60 ? 222 LYS B CD 1 ATOM 4941 C CE . LYS B 1 223 ? -19.598 40.560 30.805 1.00 48.91 ? 222 LYS B CE 1 ATOM 4942 N NZ . LYS B 1 223 ? -20.922 40.875 30.229 1.00 49.70 ? 222 LYS B NZ 1 ATOM 4943 N N . ILE B 1 224 ? -14.136 40.190 29.387 1.00 37.76 ? 223 ILE B N 1 ATOM 4944 C CA . ILE B 1 224 ? -13.190 39.147 28.979 1.00 35.41 ? 223 ILE B CA 1 ATOM 4945 C C . ILE B 1 224 ? -12.209 38.741 30.109 1.00 33.36 ? 223 ILE B C 1 ATOM 4946 O O . ILE B 1 224 ? -11.701 37.615 30.133 1.00 29.81 ? 223 ILE B O 1 ATOM 4947 C CB . ILE B 1 224 ? -12.401 39.559 27.709 1.00 38.38 ? 223 ILE B CB 1 ATOM 4948 C CG1 . ILE B 1 224 ? -11.708 38.358 27.078 1.00 40.51 ? 223 ILE B CG1 1 ATOM 4949 C CG2 . ILE B 1 224 ? -11.374 40.643 27.991 1.00 38.38 ? 223 ILE B CG2 1 ATOM 4950 C CD1 . ILE B 1 224 ? -12.692 37.310 26.582 1.00 42.53 ? 223 ILE B CD1 1 ATOM 4951 N N . ARG B 1 225 ? -11.980 39.652 31.050 1.00 28.72 ? 224 ARG B N 1 ATOM 4952 C CA . ARG B 1 225 ? -11.124 39.364 32.213 1.00 27.18 ? 224 ARG B CA 1 ATOM 4953 C C . ARG B 1 225 ? -11.611 38.102 32.945 1.00 26.45 ? 224 ARG B C 1 ATOM 4954 O O . ARG B 1 225 ? -10.813 37.342 33.480 1.00 25.29 ? 224 ARG B O 1 ATOM 4955 C CB . ARG B 1 225 ? -11.134 40.571 33.152 1.00 27.01 ? 224 ARG B CB 1 ATOM 4956 C CG . ARG B 1 225 ? -10.154 40.457 34.316 1.00 26.50 ? 224 ARG B CG 1 ATOM 4957 C CD . ARG B 1 225 ? -10.233 41.681 35.216 1.00 26.33 ? 224 ARG B CD 1 ATOM 4958 N NE . ARG B 1 225 ? -11.541 41.818 35.867 1.00 27.30 ? 224 ARG B NE 1 ATOM 4959 C CZ . ARG B 1 225 ? -11.885 42.833 36.664 1.00 28.18 ? 224 ARG B CZ 1 ATOM 4960 N NH1 . ARG B 1 225 ? -11.027 43.813 36.954 1.00 27.41 ? 224 ARG B NH1 1 ATOM 4961 N NH2 . ARG B 1 225 ? -13.096 42.877 37.177 1.00 30.06 ? 224 ARG B NH2 1 ATOM 4962 N N . GLU B 1 226 ? -12.929 37.895 32.962 1.00 26.99 ? 225 GLU B N 1 ATOM 4963 C CA . GLU B 1 226 ? -13.530 36.725 33.613 1.00 28.77 ? 225 GLU B CA 1 ATOM 4964 C C . GLU B 1 226 ? -12.937 35.426 33.062 1.00 27.94 ? 225 GLU B C 1 ATOM 4965 O O . GLU B 1 226 ? -12.573 34.531 33.825 1.00 27.21 ? 225 GLU B O 1 ATOM 4966 C CB . GLU B 1 226 ? -15.064 36.731 33.467 1.00 32.10 ? 225 GLU B CB 1 ATOM 4967 C CG . GLU B 1 226 ? -15.768 37.955 34.064 1.00 36.35 ? 225 GLU B CG 1 ATOM 4968 C CD . GLU B 1 226 ? -17.227 38.113 33.643 1.00 42.96 ? 225 GLU B CD 1 ATOM 4969 O OE1 . GLU B 1 226 ? -17.784 37.145 33.137 1.00 45.47 ? 225 GLU B OE1 1 ATOM 4970 O OE2 . GLU B 1 226 ? -17.855 39.183 33.848 1.00 46.13 ? 225 GLU B OE2 1 ATOM 4971 N N . GLN B 1 227 ? -12.852 35.309 31.743 1.00 27.23 ? 226 GLN B N 1 ATOM 4972 C CA . GLN B 1 227 ? -12.286 34.102 31.136 1.00 26.41 ? 226 GLN B CA 1 ATOM 4973 C C . GLN B 1 227 ? -10.788 34.038 31.358 1.00 25.25 ? 226 GLN B C 1 ATOM 4974 O O . GLN B 1 227 ? -10.259 32.979 31.685 1.00 23.24 ? 226 GLN B O 1 ATOM 4975 C CB . GLN B 1 227 ? -12.565 34.042 29.635 1.00 27.74 ? 226 GLN B CB 1 ATOM 4976 C CG . GLN B 1 227 ? -12.028 32.775 28.959 1.00 27.11 ? 226 GLN B CG 1 ATOM 4977 C CD . GLN B 1 227 ? -10.544 32.767 28.608 1.00 27.45 ? 226 GLN B CD 1 ATOM 4978 O OE1 . GLN B 1 227 ? -9.871 31.732 28.722 1.00 27.71 ? 226 GLN B OE1 1 ATOM 4979 N NE2 . GLN B 1 227 ? -10.029 33.885 28.179 1.00 26.74 ? 226 GLN B NE2 1 ATOM 4980 N N . GLN B 1 228 ? -10.118 35.179 31.220 1.00 23.17 ? 227 GLN B N 1 ATOM 4981 C CA . GLN B 1 228 ? -8.652 35.213 31.335 1.00 22.34 ? 227 GLN B CA 1 ATOM 4982 C C . GLN B 1 228 ? -8.183 34.783 32.734 1.00 20.22 ? 227 GLN B C 1 ATOM 4983 O O . GLN B 1 228 ? -7.238 34.037 32.877 1.00 19.01 ? 227 GLN B O 1 ATOM 4984 C CB . GLN B 1 228 ? -8.142 36.605 30.928 1.00 24.12 ? 227 GLN B CB 1 ATOM 4985 C CG . GLN B 1 228 ? -8.378 36.884 29.442 1.00 26.89 ? 227 GLN B CG 1 ATOM 4986 C CD . GLN B 1 228 ? -8.210 38.356 29.014 1.00 29.20 ? 227 GLN B CD 1 ATOM 4987 O OE1 . GLN B 1 228 ? -8.510 39.300 29.757 1.00 28.68 ? 227 GLN B OE1 1 ATOM 4988 N NE2 . GLN B 1 228 ? -7.803 38.544 27.759 1.00 30.43 ? 227 GLN B NE2 1 ATOM 4989 N N . ARG B 1 229 ? -8.892 35.211 33.761 1.00 20.28 ? 228 ARG B N 1 ATOM 4990 C CA . ARG B 1 229 ? -8.582 34.812 35.127 1.00 19.74 ? 228 ARG B CA 1 ATOM 4991 C C . ARG B 1 229 ? -8.830 33.341 35.368 1.00 20.01 ? 228 ARG B C 1 ATOM 4992 O O . ARG B 1 229 ? -8.098 32.712 36.128 1.00 20.10 ? 228 ARG B O 1 ATOM 4993 C CB . ARG B 1 229 ? -9.421 35.612 36.126 1.00 20.94 ? 228 ARG B CB 1 ATOM 4994 C CG . ARG B 1 229 ? -8.981 37.065 36.310 1.00 20.37 ? 228 ARG B CG 1 ATOM 4995 C CD . ARG B 1 229 ? -9.941 37.808 37.211 1.00 21.65 ? 228 ARG B CD 1 ATOM 4996 N NE . ARG B 1 229 ? -9.442 39.142 37.518 1.00 20.55 ? 228 ARG B NE 1 ATOM 4997 C CZ . ARG B 1 229 ? -10.007 39.985 38.376 1.00 21.09 ? 228 ARG B CZ 1 ATOM 4998 N NH1 . ARG B 1 229 ? -11.132 39.664 39.008 1.00 21.23 ? 228 ARG B NH1 1 ATOM 4999 N NH2 . ARG B 1 229 ? -9.459 41.180 38.577 1.00 20.44 ? 228 ARG B NH2 1 ATOM 5000 N N . SER B 1 230 ? -9.884 32.788 34.754 1.00 20.46 ? 229 SER B N 1 ATOM 5001 C CA . SER B 1 230 ? -10.283 31.387 34.993 1.00 21.09 ? 229 SER B CA 1 ATOM 5002 C C . SER B 1 230 ? -9.298 30.375 34.427 1.00 20.97 ? 229 SER B C 1 ATOM 5003 O O . SER B 1 230 ? -9.227 29.208 34.895 1.00 22.06 ? 229 SER B O 1 ATOM 5004 C CB . SER B 1 230 ? -11.686 31.101 34.434 1.00 21.62 ? 229 SER B CB 1 ATOM 5005 O OG . SER B 1 230 ? -11.663 30.935 33.028 1.00 20.66 ? 229 SER B OG 1 ATOM 5006 N N . ALA B 1 231 ? -8.512 30.820 33.449 1.00 20.57 ? 230 ALA B N 1 ATOM 5007 C CA . ALA B 1 231 ? -7.504 29.973 32.838 1.00 21.01 ? 230 ALA B CA 1 ATOM 5008 C C . ALA B 1 231 ? -6.232 29.924 33.698 1.00 20.76 ? 230 ALA B C 1 ATOM 5009 O O . ALA B 1 231 ? -5.537 30.916 33.876 1.00 20.36 ? 230 ALA B O 1 ATOM 5010 C CB . ALA B 1 231 ? -7.200 30.468 31.436 1.00 21.68 ? 230 ALA B CB 1 ATOM 5011 N N . VAL B 1 232 ? -5.937 28.741 34.211 1.00 20.36 ? 231 VAL B N 1 ATOM 5012 C CA . VAL B 1 232 ? -4.758 28.520 35.047 1.00 20.50 ? 231 VAL B CA 1 ATOM 5013 C C . VAL B 1 232 ? -3.479 28.992 34.346 1.00 19.86 ? 231 VAL B C 1 ATOM 5014 O O . VAL B 1 232 ? -2.546 29.493 34.984 1.00 18.94 ? 231 VAL B O 1 ATOM 5015 C CB . VAL B 1 232 ? -4.612 27.037 35.451 1.00 21.12 ? 231 VAL B CB 1 ATOM 5016 C CG1 . VAL B 1 232 ? -3.448 26.853 36.414 1.00 20.65 ? 231 VAL B CG1 1 ATOM 5017 C CG2 . VAL B 1 232 ? -5.893 26.509 36.076 1.00 22.36 ? 231 VAL B CG2 1 ATOM 5018 N N . SER B 1 233 ? -3.423 28.813 33.033 1.00 19.31 ? 232 SER B N 1 ATOM 5019 C CA . SER B 1 233 ? -2.226 29.154 32.271 1.00 19.48 ? 232 SER B CA 1 ATOM 5020 C C . SER B 1 233 ? -1.865 30.644 32.381 1.00 18.77 ? 232 SER B C 1 ATOM 5021 O O . SER B 1 233 ? -0.698 31.007 32.271 1.00 19.66 ? 232 SER B O 1 ATOM 5022 C CB . SER B 1 233 ? -2.380 28.747 30.792 1.00 19.25 ? 232 SER B CB 1 ATOM 5023 O OG . SER B 1 233 ? -3.580 29.269 30.250 1.00 19.68 ? 232 SER B OG 1 ATOM 5024 N N . THR B 1 234 ? -2.847 31.506 32.612 1.00 18.95 ? 233 THR B N 1 ATOM 5025 C CA . THR B 1 234 ? -2.545 32.940 32.799 1.00 19.59 ? 233 THR B CA 1 ATOM 5026 C C . THR B 1 234 ? -1.694 33.216 34.053 1.00 19.04 ? 233 THR B C 1 ATOM 5027 O O . THR B 1 234 ? -0.633 33.849 33.966 1.00 19.14 ? 233 THR B O 1 ATOM 5028 C CB . THR B 1 234 ? -3.813 33.774 32.878 1.00 20.05 ? 233 THR B CB 1 ATOM 5029 O OG1 . THR B 1 234 ? -4.640 33.468 31.749 1.00 20.00 ? 233 THR B OG1 1 ATOM 5030 C CG2 . THR B 1 234 ? -3.462 35.240 32.873 1.00 21.29 ? 233 THR B CG2 1 ATOM 5031 N N . SER B 1 235 ? -2.107 32.654 35.190 1.00 18.40 ? 234 SER B N 1 ATOM 5032 C CA . SER B 1 235 ? -1.337 32.811 36.434 1.00 17.75 ? 234 SER B CA 1 ATOM 5033 C C . SER B 1 235 ? 0.008 32.108 36.380 1.00 17.66 ? 234 SER B C 1 ATOM 5034 O O . SER B 1 235 ? 0.971 32.551 36.994 1.00 16.69 ? 234 SER B O 1 ATOM 5035 C CB . SER B 1 235 ? -2.165 32.308 37.614 1.00 18.89 ? 234 SER B CB 1 ATOM 5036 O OG . SER B 1 235 ? -3.265 33.180 37.792 1.00 20.88 ? 234 SER B OG 1 ATOM 5037 N N . TRP B 1 236 ? 0.068 30.986 35.661 1.00 17.53 ? 235 TRP B N 1 ATOM 5038 C CA . TRP B 1 236 ? 1.326 30.257 35.471 1.00 16.53 ? 235 TRP B CA 1 ATOM 5039 C C . TRP B 1 236 ? 2.415 31.138 34.835 1.00 17.25 ? 235 TRP B C 1 ATOM 5040 O O . TRP B 1 236 ? 3.606 30.941 35.078 1.00 18.56 ? 235 TRP B O 1 ATOM 5041 C CB . TRP B 1 236 ? 1.030 29.023 34.582 1.00 16.89 ? 235 TRP B CB 1 ATOM 5042 C CG . TRP B 1 236 ? 2.200 28.133 34.270 1.00 16.64 ? 235 TRP B CG 1 ATOM 5043 C CD1 . TRP B 1 236 ? 3.192 27.759 35.118 1.00 17.60 ? 235 TRP B CD1 1 ATOM 5044 C CD2 . TRP B 1 236 ? 2.489 27.514 33.021 1.00 17.18 ? 235 TRP B CD2 1 ATOM 5045 N NE1 . TRP B 1 236 ? 4.084 26.918 34.480 1.00 17.83 ? 235 TRP B NE1 1 ATOM 5046 C CE2 . TRP B 1 236 ? 3.691 26.780 33.179 1.00 18.71 ? 235 TRP B CE2 1 ATOM 5047 C CE3 . TRP B 1 236 ? 1.879 27.527 31.781 1.00 18.34 ? 235 TRP B CE3 1 ATOM 5048 C CZ2 . TRP B 1 236 ? 4.256 26.043 32.143 1.00 18.53 ? 235 TRP B CZ2 1 ATOM 5049 C CZ3 . TRP B 1 236 ? 2.447 26.807 30.755 1.00 18.22 ? 235 TRP B CZ3 1 ATOM 5050 C CH2 . TRP B 1 236 ? 3.612 26.058 30.950 1.00 18.60 ? 235 TRP B CH2 1 ATOM 5051 N N . LEU B 1 237 ? 2.008 32.086 34.000 1.00 17.61 ? 236 LEU B N 1 ATOM 5052 C CA . LEU B 1 237 ? 2.957 32.933 33.273 1.00 19.15 ? 236 LEU B CA 1 ATOM 5053 C C . LEU B 1 237 ? 3.249 34.292 33.905 1.00 18.36 ? 236 LEU B C 1 ATOM 5054 O O . LEU B 1 237 ? 3.848 35.160 33.257 1.00 17.38 ? 236 LEU B O 1 ATOM 5055 C CB . LEU B 1 237 ? 2.507 33.067 31.817 1.00 21.47 ? 236 LEU B CB 1 ATOM 5056 C CG . LEU B 1 237 ? 2.598 31.725 31.055 1.00 25.41 ? 236 LEU B CG 1 ATOM 5057 C CD1 . LEU B 1 237 ? 2.192 31.986 29.635 1.00 28.17 ? 236 LEU B CD1 1 ATOM 5058 C CD2 . LEU B 1 237 ? 3.989 31.111 31.112 1.00 28.24 ? 236 LEU B CD2 1 ATOM 5059 N N . LEU B 1 238 ? 2.865 34.489 35.171 1.00 17.12 ? 237 LEU B N 1 ATOM 5060 C CA . LEU B 1 238 ? 3.343 35.687 35.900 1.00 17.34 ? 237 LEU B CA 1 ATOM 5061 C C . LEU B 1 238 ? 4.881 35.616 35.994 1.00 16.63 ? 237 LEU B C 1 ATOM 5062 O O . LEU B 1 238 ? 5.443 34.506 36.083 1.00 17.30 ? 237 LEU B O 1 ATOM 5063 C CB . LEU B 1 238 ? 2.766 35.779 37.309 1.00 17.27 ? 237 LEU B CB 1 ATOM 5064 C CG . LEU B 1 238 ? 1.286 36.148 37.406 1.00 17.75 ? 237 LEU B CG 1 ATOM 5065 C CD1 . LEU B 1 238 ? 0.752 35.766 38.785 1.00 19.43 ? 237 LEU B CD1 1 ATOM 5066 C CD2 . LEU B 1 238 ? 1.140 37.643 37.182 1.00 18.56 ? 237 LEU B CD2 1 ATOM 5067 N N . PRO B 1 239 ? 5.551 36.786 36.019 1.00 16.12 ? 238 PRO B N 1 ATOM 5068 C CA . PRO B 1 239 ? 7.000 36.858 36.181 1.00 16.75 ? 238 PRO B CA 1 ATOM 5069 C C . PRO B 1 239 ? 7.596 35.991 37.293 1.00 17.33 ? 238 PRO B C 1 ATOM 5070 O O . PRO B 1 239 ? 7.058 35.926 38.400 1.00 18.07 ? 238 PRO B O 1 ATOM 5071 C CB . PRO B 1 239 ? 7.241 38.336 36.466 1.00 16.44 ? 238 PRO B CB 1 ATOM 5072 C CG . PRO B 1 239 ? 6.181 39.009 35.698 1.00 16.40 ? 238 PRO B CG 1 ATOM 5073 C CD . PRO B 1 239 ? 4.969 38.131 35.867 1.00 16.06 ? 238 PRO B CD 1 ATOM 5074 N N . TYR B 1 240 ? 8.712 35.331 36.970 1.00 18.35 ? 239 TYR B N 1 ATOM 5075 C CA . TYR B 1 240 ? 9.456 34.482 37.894 1.00 19.06 ? 239 TYR B CA 1 ATOM 5076 C C . TYR B 1 240 ? 10.759 35.123 38.346 1.00 19.54 ? 239 TYR B C 1 ATOM 5077 O O . TYR B 1 240 ? 11.368 35.886 37.586 1.00 19.21 ? 239 TYR B O 1 ATOM 5078 C CB . TYR B 1 240 ? 9.797 33.156 37.227 1.00 19.91 ? 239 TYR B CB 1 ATOM 5079 C CG . TYR B 1 240 ? 8.628 32.232 37.055 1.00 19.58 ? 239 TYR B CG 1 ATOM 5080 C CD1 . TYR B 1 240 ? 7.746 32.372 35.995 1.00 19.29 ? 239 TYR B CD1 1 ATOM 5081 C CD2 . TYR B 1 240 ? 8.427 31.177 37.952 1.00 20.74 ? 239 TYR B CD2 1 ATOM 5082 C CE1 . TYR B 1 240 ? 6.652 31.505 35.834 1.00 19.54 ? 239 TYR B CE1 1 ATOM 5083 C CE2 . TYR B 1 240 ? 7.346 30.312 37.802 1.00 20.17 ? 239 TYR B CE2 1 ATOM 5084 C CZ . TYR B 1 240 ? 6.469 30.473 36.739 1.00 20.07 ? 239 TYR B CZ 1 ATOM 5085 O OH . TYR B 1 240 ? 5.382 29.632 36.624 1.00 20.83 ? 239 TYR B OH 1 ATOM 5086 N N . ASN B 1 241 ? 11.189 34.797 39.572 1.00 21.42 ? 240 ASN B N 1 ATOM 5087 C CA . ASN B 1 241 ? 12.448 35.354 40.122 1.00 23.89 ? 240 ASN B CA 1 ATOM 5088 C C . ASN B 1 241 ? 13.725 34.829 39.508 1.00 25.97 ? 240 ASN B C 1 ATOM 5089 O O . ASN B 1 241 ? 14.793 35.327 39.837 1.00 27.29 ? 240 ASN B O 1 ATOM 5090 C CB . ASN B 1 241 ? 12.553 35.236 41.649 1.00 26.97 ? 240 ASN B CB 1 ATOM 5091 C CG . ASN B 1 241 ? 12.369 33.820 42.139 1.00 29.00 ? 240 ASN B CG 1 ATOM 5092 O OD1 . ASN B 1 241 ? 12.562 32.850 41.397 1.00 27.29 ? 240 ASN B OD1 1 ATOM 5093 N ND2 . ASN B 1 241 ? 11.983 33.699 43.415 1.00 31.44 ? 240 ASN B ND2 1 ATOM 5094 N N . TYR B 1 242 ? 13.669 33.829 38.638 1.00 24.58 ? 241 TYR B N 1 ATOM 5095 C CA . TYR B 1 242 ? 14.910 33.422 37.943 1.00 27.94 ? 241 TYR B CA 1 ATOM 5096 C C . TYR B 1 242 ? 15.231 34.297 36.723 1.00 29.21 ? 241 TYR B C 1 ATOM 5097 O O . TYR B 1 242 ? 16.316 34.196 36.152 1.00 29.12 ? 241 TYR B O 1 ATOM 5098 C CB . TYR B 1 242 ? 14.913 31.934 37.590 1.00 27.74 ? 241 TYR B CB 1 ATOM 5099 C CG . TYR B 1 242 ? 13.739 31.432 36.804 1.00 28.57 ? 241 TYR B CG 1 ATOM 5100 C CD1 . TYR B 1 242 ? 13.671 31.627 35.412 1.00 29.56 ? 241 TYR B CD1 1 ATOM 5101 C CD2 . TYR B 1 242 ? 12.722 30.720 37.418 1.00 29.64 ? 241 TYR B CD2 1 ATOM 5102 C CE1 . TYR B 1 242 ? 12.602 31.145 34.661 1.00 29.87 ? 241 TYR B CE1 1 ATOM 5103 C CE2 . TYR B 1 242 ? 11.653 30.230 36.667 1.00 30.10 ? 241 TYR B CE2 1 ATOM 5104 C CZ . TYR B 1 242 ? 11.594 30.454 35.303 1.00 29.26 ? 241 TYR B CZ 1 ATOM 5105 O OH . TYR B 1 242 ? 10.552 29.984 34.544 1.00 31.84 ? 241 TYR B OH 1 ATOM 5106 N N . THR B 1 243 ? 14.279 35.149 36.337 1.00 27.04 ? 242 THR B N 1 ATOM 5107 C CA . THR B 1 243 ? 14.439 36.083 35.248 1.00 27.71 ? 242 THR B CA 1 ATOM 5108 C C . THR B 1 243 ? 14.433 37.511 35.740 1.00 27.35 ? 242 THR B C 1 ATOM 5109 O O . THR B 1 243 ? 15.221 38.328 35.284 1.00 28.62 ? 242 THR B O 1 ATOM 5110 C CB . THR B 1 243 ? 13.293 35.885 34.220 1.00 28.95 ? 242 THR B CB 1 ATOM 5111 O OG1 . THR B 1 243 ? 13.481 34.651 33.536 1.00 31.41 ? 242 THR B OG1 1 ATOM 5112 C CG2 . THR B 1 243 ? 13.268 36.989 33.172 1.00 30.49 ? 242 THR B CG2 1 ATOM 5113 N N A TRP B 1 244 ? 13.531 37.818 36.668 0.50 23.98 ? 243 TRP B N 1 ATOM 5114 N N B TRP B 1 244 ? 13.543 37.826 36.673 0.50 26.77 ? 243 TRP B N 1 ATOM 5115 C CA A TRP B 1 244 ? 13.305 39.171 37.110 0.50 22.52 ? 243 TRP B CA 1 ATOM 5116 C CA B TRP B 1 244 ? 13.394 39.194 37.122 0.50 26.91 ? 243 TRP B CA 1 ATOM 5117 C C A TRP B 1 244 ? 13.791 39.383 38.542 0.50 23.40 ? 243 TRP B C 1 ATOM 5118 C C B TRP B 1 244 ? 13.811 39.384 38.550 0.50 25.83 ? 243 TRP B C 1 ATOM 5119 O O A TRP B 1 244 ? 13.737 38.464 39.361 0.50 22.90 ? 243 TRP B O 1 ATOM 5120 O O B TRP B 1 244 ? 13.734 38.468 39.364 0.50 25.08 ? 243 TRP B O 1 ATOM 5121 C CB A TRP B 1 244 ? 11.797 39.430 37.058 0.50 20.71 ? 243 TRP B CB 1 ATOM 5122 C CB B TRP B 1 244 ? 11.966 39.621 36.957 0.50 28.32 ? 243 TRP B CB 1 ATOM 5123 C CG A TRP B 1 244 ? 11.110 39.200 35.669 0.50 18.42 ? 243 TRP B CG 1 ATOM 5124 C CG B TRP B 1 244 ? 11.706 40.275 35.702 0.50 29.58 ? 243 TRP B CG 1 ATOM 5125 C CD1 A TRP B 1 244 ? 10.642 38.002 35.161 0.50 17.54 ? 243 TRP B CD1 1 ATOM 5126 C CD1 B TRP B 1 244 ? 12.131 41.525 35.294 0.50 30.64 ? 243 TRP B CD1 1 ATOM 5127 C CD2 A TRP B 1 244 ? 10.783 40.192 34.691 0.50 17.60 ? 243 TRP B CD2 1 ATOM 5128 C CD2 B TRP B 1 244 ? 10.899 39.770 34.686 0.50 28.77 ? 243 TRP B CD2 1 ATOM 5129 N NE1 A TRP B 1 244 ? 10.065 38.200 33.918 0.50 16.89 ? 243 TRP B NE1 1 ATOM 5130 N NE1 B TRP B 1 244 ? 11.631 41.796 34.039 0.50 29.95 ? 243 TRP B NE1 1 ATOM 5131 C CE2 A TRP B 1 244 ? 10.128 39.536 33.615 0.50 17.30 ? 243 TRP B CE2 1 ATOM 5132 C CE2 B TRP B 1 244 ? 10.868 40.724 33.650 0.50 29.81 ? 243 TRP B CE2 1 ATOM 5133 C CE3 A TRP B 1 244 ? 10.983 41.576 34.613 0.50 18.23 ? 243 TRP B CE3 1 ATOM 5134 C CE3 B TRP B 1 244 ? 10.207 38.575 34.530 0.50 29.70 ? 243 TRP B CE3 1 ATOM 5135 C CZ2 A TRP B 1 244 ? 9.689 40.220 32.488 0.50 17.01 ? 243 TRP B CZ2 1 ATOM 5136 C CZ2 B TRP B 1 244 ? 10.165 40.509 32.494 0.50 29.31 ? 243 TRP B CZ2 1 ATOM 5137 C CZ3 A TRP B 1 244 ? 10.557 42.245 33.481 0.50 17.96 ? 243 TRP B CZ3 1 ATOM 5138 C CZ3 B TRP B 1 244 ? 9.520 38.378 33.411 0.50 28.59 ? 243 TRP B CZ3 1 ATOM 5139 C CH2 A TRP B 1 244 ? 9.912 41.572 32.441 0.50 17.81 ? 243 TRP B CH2 1 ATOM 5140 C CH2 B TRP B 1 244 ? 9.490 39.326 32.401 0.50 29.46 ? 243 TRP B CH2 1 ATOM 5141 N N . SER B 1 245 ? 14.257 40.593 38.840 1.00 24.92 ? 244 SER B N 1 ATOM 5142 C CA . SER B 1 245 ? 14.615 40.977 40.188 1.00 26.69 ? 244 SER B CA 1 ATOM 5143 C C . SER B 1 245 ? 13.387 40.927 41.113 1.00 26.85 ? 244 SER B C 1 ATOM 5144 O O . SER B 1 245 ? 12.307 41.399 40.734 1.00 23.83 ? 244 SER B O 1 ATOM 5145 C CB . SER B 1 245 ? 15.145 42.389 40.195 1.00 28.23 ? 244 SER B CB 1 ATOM 5146 O OG . SER B 1 245 ? 15.299 42.818 41.516 1.00 29.56 ? 244 SER B OG 1 ATOM 5147 N N . PRO B 1 246 ? 13.551 40.365 42.320 1.00 29.74 ? 245 PRO B N 1 ATOM 5148 C CA . PRO B 1 246 ? 12.402 40.334 43.230 1.00 30.81 ? 245 PRO B CA 1 ATOM 5149 C C . PRO B 1 246 ? 11.953 41.734 43.675 1.00 31.79 ? 245 PRO B C 1 ATOM 5150 O O . PRO B 1 246 ? 10.861 41.854 44.213 1.00 32.90 ? 245 PRO B O 1 ATOM 5151 C CB . PRO B 1 246 ? 12.920 39.503 44.419 1.00 32.89 ? 245 PRO B CB 1 ATOM 5152 C CG . PRO B 1 246 ? 13.950 38.592 43.795 1.00 34.28 ? 245 PRO B CG 1 ATOM 5153 C CD . PRO B 1 246 ? 14.649 39.510 42.811 1.00 32.07 ? 245 PRO B CD 1 ATOM 5154 N N . GLU B 1 247 ? 12.782 42.753 43.451 1.00 29.06 ? 246 GLU B N 1 ATOM 5155 C CA . GLU B 1 247 ? 12.449 44.119 43.779 1.00 31.77 ? 246 GLU B CA 1 ATOM 5156 C C . GLU B 1 247 ? 11.886 44.951 42.598 1.00 27.55 ? 246 GLU B C 1 ATOM 5157 O O . GLU B 1 247 ? 11.490 46.089 42.803 1.00 26.18 ? 246 GLU B O 1 ATOM 5158 C CB . GLU B 1 247 ? 13.672 44.856 44.359 1.00 36.22 ? 246 GLU B CB 1 ATOM 5159 C CG . GLU B 1 247 ? 14.337 44.237 45.608 1.00 42.82 ? 246 GLU B CG 1 ATOM 5160 C CD . GLU B 1 247 ? 13.351 43.578 46.543 1.00 47.96 ? 246 GLU B CD 1 ATOM 5161 O OE1 . GLU B 1 247 ? 12.465 44.281 47.101 1.00 53.45 ? 246 GLU B OE1 1 ATOM 5162 O OE2 . GLU B 1 247 ? 13.479 42.342 46.711 1.00 52.38 ? 246 GLU B OE2 1 ATOM 5163 N N . LYS B 1 248 ? 11.801 44.391 41.396 1.00 25.36 ? 247 LYS B N 1 ATOM 5164 C CA . LYS B 1 248 ? 11.184 45.122 40.295 1.00 25.00 ? 247 LYS B CA 1 ATOM 5165 C C . LYS B 1 248 ? 9.670 45.301 40.542 1.00 23.05 ? 247 LYS B C 1 ATOM 5166 O O . LYS B 1 248 ? 8.961 44.337 40.811 1.00 20.83 ? 247 LYS B O 1 ATOM 5167 C CB . LYS B 1 248 ? 11.371 44.419 38.960 1.00 26.80 ? 247 LYS B CB 1 ATOM 5168 C CG . LYS B 1 248 ? 10.596 45.175 37.890 1.00 27.59 ? 247 LYS B CG 1 ATOM 5169 C CD . LYS B 1 248 ? 10.923 44.803 36.477 1.00 31.62 ? 247 LYS B CD 1 ATOM 5170 C CE . LYS B 1 248 ? 10.030 45.586 35.521 1.00 31.49 ? 247 LYS B CE 1 ATOM 5171 N NZ . LYS B 1 248 ? 10.403 47.021 35.497 1.00 33.23 ? 247 LYS B NZ 1 ATOM 5172 N N . VAL B 1 249 ? 9.196 46.529 40.442 1.00 22.13 ? 248 VAL B N 1 ATOM 5173 C CA . VAL B 1 249 ? 7.770 46.829 40.616 1.00 22.28 ? 248 VAL B CA 1 ATOM 5174 C C . VAL B 1 249 ? 7.088 46.665 39.268 1.00 22.07 ? 248 VAL B C 1 ATOM 5175 O O . VAL B 1 249 ? 7.459 47.342 38.309 1.00 22.39 ? 248 VAL B O 1 ATOM 5176 C CB . VAL B 1 249 ? 7.558 48.250 41.157 1.00 23.43 ? 248 VAL B CB 1 ATOM 5177 C CG1 . VAL B 1 249 ? 6.076 48.584 41.236 1.00 23.79 ? 248 VAL B CG1 1 ATOM 5178 C CG2 . VAL B 1 249 ? 8.210 48.390 42.513 1.00 24.77 ? 248 VAL B CG2 1 ATOM 5179 N N . PHE B 1 250 ? 6.141 45.721 39.184 1.00 20.77 ? 249 PHE B N 1 ATOM 5180 C CA . PHE B 1 250 ? 5.366 45.497 37.955 1.00 20.03 ? 249 PHE B CA 1 ATOM 5181 C C . PHE B 1 250 ? 4.088 46.306 37.914 1.00 20.23 ? 249 PHE B C 1 ATOM 5182 O O . PHE B 1 250 ? 3.632 46.712 36.832 1.00 20.19 ? 249 PHE B O 1 ATOM 5183 C CB . PHE B 1 250 ? 5.000 44.037 37.836 1.00 19.83 ? 249 PHE B CB 1 ATOM 5184 C CG . PHE B 1 250 ? 6.170 43.170 37.497 1.00 20.43 ? 249 PHE B CG 1 ATOM 5185 C CD1 . PHE B 1 250 ? 6.705 43.202 36.217 1.00 19.97 ? 249 PHE B CD1 1 ATOM 5186 C CD2 . PHE B 1 250 ? 6.747 42.350 38.456 1.00 20.70 ? 249 PHE B CD2 1 ATOM 5187 C CE1 . PHE B 1 250 ? 7.766 42.379 35.880 1.00 20.15 ? 249 PHE B CE1 1 ATOM 5188 C CE2 . PHE B 1 250 ? 7.823 41.546 38.133 1.00 20.65 ? 249 PHE B CE2 1 ATOM 5189 C CZ . PHE B 1 250 ? 8.338 41.577 36.839 1.00 19.72 ? 249 PHE B CZ 1 ATOM 5190 N N . VAL B 1 251 ? 3.512 46.549 39.086 1.00 19.59 ? 250 VAL B N 1 ATOM 5191 C CA . VAL B 1 251 ? 2.273 47.317 39.198 1.00 19.67 ? 250 VAL B CA 1 ATOM 5192 C C . VAL B 1 251 ? 2.427 48.329 40.320 1.00 20.40 ? 250 VAL B C 1 ATOM 5193 O O . VAL B 1 251 ? 2.722 47.991 41.472 1.00 20.22 ? 250 VAL B O 1 ATOM 5194 C CB . VAL B 1 251 ? 1.062 46.418 39.475 1.00 19.86 ? 250 VAL B CB 1 ATOM 5195 C CG1 . VAL B 1 251 ? -0.196 47.236 39.742 1.00 19.97 ? 250 VAL B CG1 1 ATOM 5196 C CG2 . VAL B 1 251 ? 0.820 45.481 38.307 1.00 20.66 ? 250 VAL B CG2 1 ATOM 5197 N N . GLN B 1 252 ? 2.242 49.594 39.979 1.00 21.22 ? 251 GLN B N 1 ATOM 5198 C CA . GLN B 1 252 ? 2.236 50.657 40.970 1.00 22.27 ? 251 GLN B CA 1 ATOM 5199 C C . GLN B 1 252 ? 0.877 51.352 40.987 1.00 22.85 ? 251 GLN B C 1 ATOM 5200 O O . GLN B 1 252 ? 0.240 51.537 39.949 1.00 22.39 ? 251 GLN B O 1 ATOM 5201 C CB . GLN B 1 252 ? 3.408 51.611 40.715 1.00 24.66 ? 251 GLN B CB 1 ATOM 5202 C CG . GLN B 1 252 ? 3.475 52.819 41.625 1.00 27.98 ? 251 GLN B CG 1 ATOM 5203 C CD . GLN B 1 252 ? 4.726 53.631 41.345 1.00 31.39 ? 251 GLN B CD 1 ATOM 5204 O OE1 . GLN B 1 252 ? 4.944 54.112 40.241 1.00 34.46 ? 251 GLN B OE1 1 ATOM 5205 N NE2 . GLN B 1 252 ? 5.576 53.735 42.328 1.00 34.02 ? 251 GLN B NE2 1 ATOM 5206 N N . THR B 1 253 ? 0.405 51.677 42.194 1.00 23.50 ? 252 THR B N 1 ATOM 5207 C CA . THR B 1 253 ? -0.847 52.405 42.385 1.00 24.97 ? 252 THR B CA 1 ATOM 5208 C C . THR B 1 253 ? -0.519 53.539 43.365 1.00 27.16 ? 252 THR B C 1 ATOM 5209 O O . THR B 1 253 ? 0.583 53.570 43.901 1.00 27.39 ? 252 THR B O 1 ATOM 5210 C CB . THR B 1 253 ? -1.974 51.501 42.947 1.00 26.53 ? 252 THR B CB 1 ATOM 5211 O OG1 . THR B 1 253 ? -1.850 51.425 44.368 1.00 27.69 ? 252 THR B OG1 1 ATOM 5212 C CG2 . THR B 1 253 ? -1.921 50.070 42.385 1.00 25.87 ? 252 THR B CG2 1 ATOM 5213 N N . PRO B 1 254 ? -1.465 54.454 43.622 1.00 28.63 ? 253 PRO B N 1 ATOM 5214 C CA . PRO B 1 254 ? -1.198 55.510 44.598 1.00 31.81 ? 253 PRO B CA 1 ATOM 5215 C C . PRO B 1 254 ? -0.903 55.022 46.018 1.00 33.23 ? 253 PRO B C 1 ATOM 5216 O O . PRO B 1 254 ? -0.241 55.733 46.769 1.00 35.50 ? 253 PRO B O 1 ATOM 5217 C CB . PRO B 1 254 ? -2.483 56.361 44.566 1.00 32.40 ? 253 PRO B CB 1 ATOM 5218 C CG . PRO B 1 254 ? -3.169 56.003 43.277 1.00 32.36 ? 253 PRO B CG 1 ATOM 5219 C CD . PRO B 1 254 ? -2.833 54.549 43.079 1.00 30.38 ? 253 PRO B CD 1 ATOM 5220 N N . THR B 1 255 ? -1.362 53.823 46.379 1.00 33.03 ? 254 THR B N 1 ATOM 5221 C CA . THR B 1 255 ? -1.245 53.349 47.758 1.00 33.24 ? 254 THR B CA 1 ATOM 5222 C C . THR B 1 255 ? -0.447 52.072 47.949 1.00 32.26 ? 254 THR B C 1 ATOM 5223 O O . THR B 1 255 ? -0.222 51.683 49.086 1.00 31.67 ? 254 THR B O 1 ATOM 5224 C CB . THR B 1 255 ? -2.633 53.088 48.352 1.00 35.73 ? 254 THR B CB 1 ATOM 5225 O OG1 . THR B 1 255 ? -3.359 52.193 47.499 1.00 35.25 ? 254 THR B OG1 1 ATOM 5226 C CG2 . THR B 1 255 ? -3.409 54.408 48.492 1.00 38.42 ? 254 THR B CG2 1 ATOM 5227 N N . ILE B 1 256 ? -0.030 51.405 46.871 1.00 27.43 ? 255 ILE B N 1 ATOM 5228 C CA . ILE B 1 256 ? 0.653 50.145 47.009 1.00 26.82 ? 255 ILE B CA 1 ATOM 5229 C C . ILE B 1 256 ? 1.432 49.791 45.747 1.00 26.18 ? 255 ILE B C 1 ATOM 5230 O O . ILE B 1 256 ? 1.014 50.138 44.636 1.00 25.86 ? 255 ILE B O 1 ATOM 5231 C CB . ILE B 1 256 ? -0.375 49.044 47.417 1.00 27.92 ? 255 ILE B CB 1 ATOM 5232 C CG1 . ILE B 1 256 ? 0.306 47.771 47.838 1.00 29.36 ? 255 ILE B CG1 1 ATOM 5233 C CG2 . ILE B 1 256 ? -1.369 48.767 46.290 1.00 28.97 ? 255 ILE B CG2 1 ATOM 5234 C CD1 . ILE B 1 256 ? -0.667 46.767 48.432 1.00 30.27 ? 255 ILE B CD1 1 ATOM 5235 N N A ASN B 1 257 ? 2.565 49.115 45.940 0.50 25.65 ? 256 ASN B N 1 ATOM 5236 N N B ASN B 1 257 ? 2.550 49.099 45.939 0.50 25.59 ? 256 ASN B N 1 ATOM 5237 C CA A ASN B 1 257 ? 3.369 48.568 44.864 0.50 25.18 ? 256 ASN B CA 1 ATOM 5238 C CA B ASN B 1 257 ? 3.355 48.560 44.869 0.50 25.07 ? 256 ASN B CA 1 ATOM 5239 C C A ASN B 1 257 ? 3.243 47.048 44.873 0.50 24.24 ? 256 ASN B C 1 ATOM 5240 C C B ASN B 1 257 ? 3.259 47.049 44.875 0.50 24.20 ? 256 ASN B C 1 ATOM 5241 O O A ASN B 1 257 ? 3.056 46.456 45.938 0.50 25.88 ? 256 ASN B O 1 ATOM 5242 O O B ASN B 1 257 ? 3.063 46.472 45.937 0.50 25.89 ? 256 ASN B O 1 ATOM 5243 C CB A ASN B 1 257 ? 4.841 48.864 45.100 0.50 25.77 ? 256 ASN B CB 1 ATOM 5244 C CB B ASN B 1 257 ? 4.788 48.978 45.108 0.50 25.61 ? 256 ASN B CB 1 ATOM 5245 C CG A ASN B 1 257 ? 5.275 50.233 44.666 0.50 26.64 ? 256 ASN B CG 1 ATOM 5246 C CG B ASN B 1 257 ? 4.970 50.472 44.929 0.50 26.01 ? 256 ASN B CG 1 ATOM 5247 O OD1 A ASN B 1 257 ? 4.544 50.998 44.001 0.50 27.52 ? 256 ASN B OD1 1 ATOM 5248 O OD1 B ASN B 1 257 ? 4.515 51.023 43.935 0.50 27.40 ? 256 ASN B OD1 1 ATOM 5249 N ND2 A ASN B 1 257 ? 6.527 50.534 45.045 0.50 27.68 ? 256 ASN B ND2 1 ATOM 5250 N ND2 B ASN B 1 257 ? 5.615 51.129 45.893 0.50 27.60 ? 256 ASN B ND2 1 ATOM 5251 N N . TYR B 1 258 ? 3.365 46.419 43.709 1.00 21.29 ? 257 TYR B N 1 ATOM 5252 C CA . TYR B 1 258 ? 3.434 44.969 43.623 1.00 19.64 ? 257 TYR B CA 1 ATOM 5253 C C . TYR B 1 258 ? 4.657 44.537 42.817 1.00 19.31 ? 257 TYR B C 1 ATOM 5254 O O . TYR B 1 258 ? 4.799 44.882 41.625 1.00 18.93 ? 257 TYR B O 1 ATOM 5255 C CB . TYR B 1 258 ? 2.182 44.364 42.994 1.00 19.06 ? 257 TYR B CB 1 ATOM 5256 C CG . TYR B 1 258 ? 0.874 44.744 43.658 1.00 18.62 ? 257 TYR B CG 1 ATOM 5257 C CD1 . TYR B 1 258 ? 0.394 44.055 44.752 1.00 18.50 ? 257 TYR B CD1 1 ATOM 5258 C CD2 . TYR B 1 258 ? 0.122 45.795 43.182 1.00 19.52 ? 257 TYR B CD2 1 ATOM 5259 C CE1 . TYR B 1 258 ? -0.803 44.402 45.352 1.00 18.81 ? 257 TYR B CE1 1 ATOM 5260 C CE2 . TYR B 1 258 ? -1.080 46.157 43.769 1.00 19.61 ? 257 TYR B CE2 1 ATOM 5261 C CZ . TYR B 1 258 ? -1.536 45.465 44.858 1.00 19.46 ? 257 TYR B CZ 1 ATOM 5262 O OH . TYR B 1 258 ? -2.739 45.842 45.425 1.00 21.01 ? 257 TYR B OH 1 ATOM 5263 N N . THR B 1 259 ? 5.514 43.769 43.500 1.00 19.06 ? 258 THR B N 1 ATOM 5264 C CA . THR B 1 259 ? 6.626 43.033 42.915 1.00 18.04 ? 258 THR B CA 1 ATOM 5265 C C . THR B 1 259 ? 6.255 41.555 42.816 1.00 17.41 ? 258 THR B C 1 ATOM 5266 O O . THR B 1 259 ? 5.178 41.135 43.239 1.00 17.40 ? 258 THR B O 1 ATOM 5267 C CB . THR B 1 259 ? 7.901 43.148 43.784 1.00 18.97 ? 258 THR B CB 1 ATOM 5268 O OG1 . THR B 1 259 ? 7.749 42.375 44.991 1.00 19.27 ? 258 THR B OG1 1 ATOM 5269 C CG2 . THR B 1 259 ? 8.198 44.594 44.172 1.00 19.64 ? 258 THR B CG2 1 ATOM 5270 N N . LEU B 1 260 ? 7.143 40.737 42.283 1.00 17.50 ? 259 LEU B N 1 ATOM 5271 C CA . LEU B 1 260 ? 6.866 39.293 42.213 1.00 18.11 ? 259 LEU B CA 1 ATOM 5272 C C . LEU B 1 260 ? 6.881 38.608 43.583 1.00 17.52 ? 259 LEU B C 1 ATOM 5273 O O . LEU B 1 260 ? 6.517 37.439 43.691 1.00 17.95 ? 259 LEU B O 1 ATOM 5274 C CB . LEU B 1 260 ? 7.825 38.578 41.250 1.00 19.00 ? 259 LEU B CB 1 ATOM 5275 C CG . LEU B 1 260 ? 9.307 38.574 41.608 1.00 20.29 ? 259 LEU B CG 1 ATOM 5276 C CD1 . LEU B 1 260 ? 9.641 37.488 42.599 1.00 20.70 ? 259 LEU B CD1 1 ATOM 5277 C CD2 . LEU B 1 260 ? 10.074 38.346 40.297 1.00 22.56 ? 259 LEU B CD2 1 ATOM 5278 N N . ARG B 1 261 ? 7.313 39.325 44.615 1.00 17.43 ? 260 ARG B N 1 ATOM 5279 C CA . ARG B 1 261 ? 7.169 38.835 45.992 1.00 17.36 ? 260 ARG B CA 1 ATOM 5280 C C . ARG B 1 261 ? 5.806 39.153 46.606 1.00 16.73 ? 260 ARG B C 1 ATOM 5281 O O . ARG B 1 261 ? 5.551 38.789 47.762 1.00 17.17 ? 260 ARG B O 1 ATOM 5282 C CB . ARG B 1 261 ? 8.291 39.368 46.868 1.00 18.33 ? 260 ARG B CB 1 ATOM 5283 C CG . ARG B 1 261 ? 9.687 38.942 46.409 1.00 19.68 ? 260 ARG B CG 1 ATOM 5284 C CD . ARG B 1 261 ? 10.699 39.021 47.559 1.00 20.66 ? 260 ARG B CD 1 ATOM 5285 N NE . ARG B 1 261 ? 10.902 40.373 48.085 1.00 20.43 ? 260 ARG B NE 1 ATOM 5286 C CZ . ARG B 1 261 ? 11.597 40.702 49.168 1.00 21.00 ? 260 ARG B CZ 1 ATOM 5287 N NH1 . ARG B 1 261 ? 12.110 39.768 49.959 1.00 22.13 ? 260 ARG B NH1 1 ATOM 5288 N NH2 . ARG B 1 261 ? 11.740 41.978 49.500 1.00 22.16 ? 260 ARG B NH2 1 ATOM 5289 N N . ASP B 1 262 ? 4.929 39.782 45.840 1.00 16.25 ? 261 ASP B N 1 ATOM 5290 C CA . ASP B 1 262 ? 3.658 40.284 46.344 1.00 16.61 ? 261 ASP B CA 1 ATOM 5291 C C . ASP B 1 262 ? 2.430 39.697 45.674 1.00 16.29 ? 261 ASP B C 1 ATOM 5292 O O . ASP B 1 262 ? 1.326 40.315 45.713 1.00 15.99 ? 261 ASP B O 1 ATOM 5293 C CB . ASP B 1 262 ? 3.620 41.804 46.195 1.00 17.19 ? 261 ASP B CB 1 ATOM 5294 C CG . ASP B 1 262 ? 4.737 42.499 46.951 1.00 17.94 ? 261 ASP B CG 1 ATOM 5295 O OD1 . ASP B 1 262 ? 4.952 42.205 48.139 1.00 18.07 ? 261 ASP B OD1 1 ATOM 5296 O OD2 . ASP B 1 262 ? 5.392 43.376 46.336 1.00 19.46 ? 261 ASP B OD2 1 ATOM 5297 N N . TYR B 1 263 ? 2.554 38.507 45.076 1.00 16.04 ? 262 TYR B N 1 ATOM 5298 C CA . TYR B 1 263 ? 1.420 37.960 44.330 1.00 16.15 ? 262 TYR B CA 1 ATOM 5299 C C . TYR B 1 263 ? 0.215 37.632 45.199 1.00 16.43 ? 262 TYR B C 1 ATOM 5300 O O . TYR B 1 263 ? -0.927 37.781 44.754 1.00 16.56 ? 262 TYR B O 1 ATOM 5301 C CB . TYR B 1 263 ? 1.818 36.727 43.488 1.00 16.37 ? 262 TYR B CB 1 ATOM 5302 C CG . TYR B 1 263 ? 2.748 37.022 42.318 1.00 16.84 ? 262 TYR B CG 1 ATOM 5303 C CD1 . TYR B 1 263 ? 2.672 38.223 41.604 1.00 18.78 ? 262 TYR B CD1 1 ATOM 5304 C CD2 . TYR B 1 263 ? 3.675 36.074 41.901 1.00 18.40 ? 262 TYR B CD2 1 ATOM 5305 C CE1 . TYR B 1 263 ? 3.504 38.478 40.538 1.00 19.18 ? 262 TYR B CE1 1 ATOM 5306 C CE2 . TYR B 1 263 ? 4.525 36.318 40.839 1.00 17.97 ? 262 TYR B CE2 1 ATOM 5307 C CZ . TYR B 1 263 ? 4.433 37.506 40.159 1.00 18.71 ? 262 TYR B CZ 1 ATOM 5308 O OH . TYR B 1 263 ? 5.257 37.767 39.093 1.00 17.36 ? 262 TYR B OH 1 ATOM 5309 N N . ARG B 1 264 ? 0.432 37.178 46.421 1.00 16.91 ? 263 ARG B N 1 ATOM 5310 C CA . ARG B 1 264 ? -0.711 36.857 47.291 1.00 18.82 ? 263 ARG B CA 1 ATOM 5311 C C . ARG B 1 264 ? -1.573 38.111 47.535 1.00 18.85 ? 263 ARG B C 1 ATOM 5312 O O . ARG B 1 264 ? -2.792 38.054 47.375 1.00 19.11 ? 263 ARG B O 1 ATOM 5313 C CB . ARG B 1 264 ? -0.266 36.198 48.591 1.00 19.93 ? 263 ARG B CB 1 ATOM 5314 C CG . ARG B 1 264 ? -1.402 35.564 49.378 1.00 22.12 ? 263 ARG B CG 1 ATOM 5315 C CD . ARG B 1 264 ? -0.874 34.951 50.665 1.00 23.78 ? 263 ARG B CD 1 ATOM 5316 N NE . ARG B 1 264 ? -1.843 34.049 51.288 1.00 26.87 ? 263 ARG B NE 1 ATOM 5317 C CZ . ARG B 1 264 ? -2.805 34.403 52.147 1.00 29.24 ? 263 ARG B CZ 1 ATOM 5318 N NH1 . ARG B 1 264 ? -2.990 35.673 52.497 1.00 29.86 ? 263 ARG B NH1 1 ATOM 5319 N NH2 . ARG B 1 264 ? -3.605 33.465 52.668 1.00 30.61 ? 263 ARG B NH2 1 ATOM 5320 N N . LYS B 1 265 ? -0.934 39.226 47.870 1.00 18.73 ? 264 LYS B N 1 ATOM 5321 C CA . LYS B 1 265 ? -1.607 40.523 48.035 1.00 20.93 ? 264 LYS B CA 1 ATOM 5322 C C . LYS B 1 265 ? -2.295 40.989 46.763 1.00 19.72 ? 264 LYS B C 1 ATOM 5323 O O . LYS B 1 265 ? -3.398 41.540 46.820 1.00 19.82 ? 264 LYS B O 1 ATOM 5324 C CB . LYS B 1 265 ? -0.601 41.676 48.365 1.00 22.43 ? 264 LYS B CB 1 ATOM 5325 C CG . LYS B 1 265 ? 0.169 41.522 49.619 1.00 25.40 ? 264 LYS B CG 1 ATOM 5326 C CD . LYS B 1 265 ? 0.751 42.835 50.099 1.00 24.44 ? 264 LYS B CD 1 ATOM 5327 C CE . LYS B 1 265 ? 1.813 43.406 49.214 1.00 23.74 ? 264 LYS B CE 1 ATOM 5328 N NZ . LYS B 1 265 ? 2.540 44.430 50.002 1.00 22.11 ? 264 LYS B NZ 1 ATOM 5329 N N . PHE B 1 266 ? -1.585 40.873 45.649 1.00 18.13 ? 265 PHE B N 1 ATOM 5330 C CA . PHE B 1 266 ? -2.108 41.225 44.326 1.00 18.46 ? 265 PHE B CA 1 ATOM 5331 C C . PHE B 1 266 ? -3.424 40.493 44.038 1.00 17.83 ? 265 PHE B C 1 ATOM 5332 O O . PHE B 1 266 ? -4.434 41.103 43.713 1.00 17.81 ? 265 PHE B O 1 ATOM 5333 C CB . PHE B 1 266 ? -1.069 40.900 43.259 1.00 18.60 ? 265 PHE B CB 1 ATOM 5334 C CG . PHE B 1 266 ? -1.535 41.158 41.854 1.00 19.47 ? 265 PHE B CG 1 ATOM 5335 C CD1 . PHE B 1 266 ? -1.598 42.449 41.363 1.00 19.96 ? 265 PHE B CD1 1 ATOM 5336 C CD2 . PHE B 1 266 ? -1.936 40.111 41.050 1.00 19.71 ? 265 PHE B CD2 1 ATOM 5337 C CE1 . PHE B 1 266 ? -2.024 42.688 40.061 1.00 20.56 ? 265 PHE B CE1 1 ATOM 5338 C CE2 . PHE B 1 266 ? -2.370 40.338 39.748 1.00 20.47 ? 265 PHE B CE2 1 ATOM 5339 C CZ . PHE B 1 266 ? -2.416 41.634 39.254 1.00 20.37 ? 265 PHE B CZ 1 ATOM 5340 N N . PHE B 1 267 ? -3.421 39.187 44.233 1.00 18.31 ? 266 PHE B N 1 ATOM 5341 C CA . PHE B 1 267 ? -4.646 38.405 44.005 1.00 19.05 ? 266 PHE B CA 1 ATOM 5342 C C . PHE B 1 267 ? -5.786 38.768 44.967 1.00 20.30 ? 266 PHE B C 1 ATOM 5343 O O . PHE B 1 267 ? -6.960 38.835 44.569 1.00 21.67 ? 266 PHE B O 1 ATOM 5344 C CB . PHE B 1 267 ? -4.325 36.920 44.015 1.00 18.87 ? 266 PHE B CB 1 ATOM 5345 C CG . PHE B 1 267 ? -3.693 36.438 42.742 1.00 19.34 ? 266 PHE B CG 1 ATOM 5346 C CD1 . PHE B 1 267 ? -4.403 36.489 41.546 1.00 19.73 ? 266 PHE B CD1 1 ATOM 5347 C CD2 . PHE B 1 267 ? -2.383 35.950 42.724 1.00 18.97 ? 266 PHE B CD2 1 ATOM 5348 C CE1 . PHE B 1 267 ? -3.834 36.037 40.371 1.00 19.51 ? 266 PHE B CE1 1 ATOM 5349 C CE2 . PHE B 1 267 ? -1.813 35.484 41.544 1.00 19.60 ? 266 PHE B CE2 1 ATOM 5350 C CZ . PHE B 1 267 ? -2.553 35.499 40.373 1.00 18.91 ? 266 PHE B CZ 1 ATOM 5351 N N . GLN B 1 268 ? -5.459 39.038 46.224 1.00 20.30 ? 267 GLN B N 1 ATOM 5352 C CA . GLN B 1 268 ? -6.463 39.551 47.157 1.00 22.03 ? 267 GLN B CA 1 ATOM 5353 C C . GLN B 1 268 ? -7.026 40.868 46.675 1.00 21.87 ? 267 GLN B C 1 ATOM 5354 O O . GLN B 1 268 ? -8.246 41.073 46.707 1.00 21.92 ? 267 GLN B O 1 ATOM 5355 C CB . GLN B 1 268 ? -5.885 39.750 48.566 1.00 22.75 ? 267 GLN B CB 1 ATOM 5356 C CG . GLN B 1 268 ? -5.502 38.457 49.260 1.00 25.36 ? 267 GLN B CG 1 ATOM 5357 C CD . GLN B 1 268 ? -4.864 38.713 50.627 1.00 27.47 ? 267 GLN B CD 1 ATOM 5358 O OE1 . GLN B 1 268 ? -3.955 39.530 50.767 1.00 29.49 ? 267 GLN B OE1 1 ATOM 5359 N NE2 . GLN B 1 268 ? -5.344 38.015 51.633 1.00 31.19 ? 267 GLN B NE2 1 ATOM 5360 N N . ASP B 1 269 ? -6.152 41.765 46.246 1.00 20.60 ? 268 ASP B N 1 ATOM 5361 C CA . ASP B 1 269 ? -6.560 43.137 45.975 1.00 21.13 ? 268 ASP B CA 1 ATOM 5362 C C . ASP B 1 269 ? -7.315 43.295 44.659 1.00 23.10 ? 268 ASP B C 1 ATOM 5363 O O . ASP B 1 269 ? -8.064 44.262 44.501 1.00 22.84 ? 268 ASP B O 1 ATOM 5364 C CB . ASP B 1 269 ? -5.350 44.069 46.006 1.00 20.98 ? 268 ASP B CB 1 ATOM 5365 C CG . ASP B 1 269 ? -4.767 44.224 47.420 1.00 20.96 ? 268 ASP B CG 1 ATOM 5366 O OD1 . ASP B 1 269 ? -5.450 43.785 48.371 1.00 20.77 ? 268 ASP B OD1 1 ATOM 5367 O OD2 . ASP B 1 269 ? -3.633 44.780 47.567 1.00 21.02 ? 268 ASP B OD2 1 ATOM 5368 N N . ILE B 1 270 ? -7.115 42.367 43.720 1.00 22.59 ? 269 ILE B N 1 ATOM 5369 C CA . ILE B 1 270 ? -7.911 42.399 42.502 1.00 23.75 ? 269 ILE B CA 1 ATOM 5370 C C . ILE B 1 270 ? -9.228 41.634 42.647 1.00 25.72 ? 269 ILE B C 1 ATOM 5371 O O . ILE B 1 270 ? -10.037 41.632 41.739 1.00 28.41 ? 269 ILE B O 1 ATOM 5372 C CB . ILE B 1 270 ? -7.144 41.916 41.269 1.00 23.04 ? 269 ILE B CB 1 ATOM 5373 C CG1 . ILE B 1 270 ? -6.866 40.414 41.342 1.00 21.72 ? 269 ILE B CG1 1 ATOM 5374 C CG2 . ILE B 1 270 ? -5.873 42.751 41.075 1.00 22.89 ? 269 ILE B CG2 1 ATOM 5375 C CD1 . ILE B 1 270 ? -6.115 39.885 40.148 1.00 21.11 ? 269 ILE B CD1 1 ATOM 5376 N N . GLY B 1 271 ? -9.426 40.964 43.766 1.00 26.13 ? 270 GLY B N 1 ATOM 5377 C CA . GLY B 1 271 ? -10.635 40.197 44.028 1.00 26.98 ? 270 GLY B CA 1 ATOM 5378 C C . GLY B 1 271 ? -10.629 38.842 43.355 1.00 27.97 ? 270 GLY B C 1 ATOM 5379 O O . GLY B 1 271 ? -11.681 38.361 42.948 1.00 28.40 ? 270 GLY B O 1 ATOM 5380 N N . PHE B 1 272 ? -9.460 38.203 43.264 1.00 25.55 ? 271 PHE B N 1 ATOM 5381 C CA . PHE B 1 272 ? -9.355 36.896 42.641 1.00 24.65 ? 271 PHE B CA 1 ATOM 5382 C C . PHE B 1 272 ? -8.403 35.985 43.416 1.00 24.46 ? 271 PHE B C 1 ATOM 5383 O O . PHE B 1 272 ? -7.311 35.643 42.957 1.00 21.93 ? 271 PHE B O 1 ATOM 5384 C CB . PHE B 1 272 ? -8.922 37.050 41.181 1.00 24.42 ? 271 PHE B CB 1 ATOM 5385 C CG . PHE B 1 272 ? -8.916 35.751 40.423 1.00 24.59 ? 271 PHE B CG 1 ATOM 5386 C CD1 . PHE B 1 272 ? -10.050 34.951 40.403 1.00 26.88 ? 271 PHE B CD1 1 ATOM 5387 C CD2 . PHE B 1 272 ? -7.796 35.340 39.745 1.00 25.54 ? 271 PHE B CD2 1 ATOM 5388 C CE1 . PHE B 1 272 ? -10.054 33.744 39.715 1.00 27.72 ? 271 PHE B CE1 1 ATOM 5389 C CE2 . PHE B 1 272 ? -7.785 34.125 39.079 1.00 26.31 ? 271 PHE B CE2 1 ATOM 5390 C CZ . PHE B 1 272 ? -8.918 33.335 39.078 1.00 26.31 ? 271 PHE B CZ 1 ATOM 5391 N N . GLU B 1 273 ? -8.850 35.545 44.586 1.00 25.66 ? 272 GLU B N 1 ATOM 5392 C CA . GLU B 1 273 ? -8.032 34.723 45.465 1.00 27.87 ? 272 GLU B CA 1 ATOM 5393 C C . GLU B 1 273 ? -7.650 33.369 44.869 1.00 26.92 ? 272 GLU B C 1 ATOM 5394 O O . GLU B 1 273 ? -6.565 32.846 45.163 1.00 26.95 ? 272 GLU B O 1 ATOM 5395 C CB . GLU B 1 273 ? -8.712 34.578 46.841 1.00 33.28 ? 272 GLU B CB 1 ATOM 5396 C CG . GLU B 1 273 ? -8.705 35.928 47.565 1.00 39.32 ? 272 GLU B CG 1 ATOM 5397 C CD . GLU B 1 273 ? -9.441 35.967 48.901 1.00 47.81 ? 272 GLU B CD 1 ATOM 5398 O OE1 . GLU B 1 273 ? -10.029 34.938 49.321 1.00 53.63 ? 272 GLU B OE1 1 ATOM 5399 O OE2 . GLU B 1 273 ? -9.430 37.058 49.532 1.00 54.66 ? 272 GLU B OE2 1 ATOM 5400 N N . ASP B 1 274 ? -8.506 32.796 44.023 1.00 24.17 ? 273 ASP B N 1 ATOM 5401 C CA . ASP B 1 274 ? -8.179 31.524 43.376 1.00 24.49 ? 273 ASP B CA 1 ATOM 5402 C C . ASP B 1 274 ? -6.895 31.611 42.544 1.00 21.87 ? 273 ASP B C 1 ATOM 5403 O O . ASP B 1 274 ? -6.210 30.608 42.360 1.00 22.28 ? 273 ASP B O 1 ATOM 5404 C CB . ASP B 1 274 ? -9.297 31.080 42.425 1.00 26.92 ? 273 ASP B CB 1 ATOM 5405 C CG . ASP B 1 274 ? -10.504 30.488 43.143 1.00 31.59 ? 273 ASP B CG 1 ATOM 5406 O OD1 . ASP B 1 274 ? -10.425 30.176 44.354 1.00 31.97 ? 273 ASP B OD1 1 ATOM 5407 O OD2 . ASP B 1 274 ? -11.538 30.312 42.451 1.00 35.48 ? 273 ASP B OD2 1 ATOM 5408 N N . GLY B 1 275 ? -6.599 32.780 42.000 1.00 20.45 ? 274 GLY B N 1 ATOM 5409 C CA . GLY B 1 275 ? -5.385 32.953 41.215 1.00 20.53 ? 274 GLY B CA 1 ATOM 5410 C C . GLY B 1 275 ? -4.133 32.663 42.003 1.00 20.00 ? 274 GLY B C 1 ATOM 5411 O O . GLY B 1 275 ? -3.157 32.149 41.457 1.00 19.63 ? 274 GLY B O 1 ATOM 5412 N N . TRP B 1 276 ? -4.151 32.990 43.295 1.00 20.25 ? 275 TRP B N 1 ATOM 5413 C CA . TRP B 1 276 ? -3.000 32.693 44.160 1.00 20.09 ? 275 TRP B CA 1 ATOM 5414 C C . TRP B 1 276 ? -2.820 31.199 44.321 1.00 19.63 ? 275 TRP B C 1 ATOM 5415 O O . TRP B 1 276 ? -1.703 30.677 44.280 1.00 18.31 ? 275 TRP B O 1 ATOM 5416 C CB . TRP B 1 276 ? -3.168 33.374 45.527 1.00 20.88 ? 275 TRP B CB 1 ATOM 5417 C CG . TRP B 1 276 ? -2.182 32.913 46.570 1.00 20.94 ? 275 TRP B CG 1 ATOM 5418 C CD1 . TRP B 1 276 ? -2.462 32.247 47.725 1.00 22.66 ? 275 TRP B CD1 1 ATOM 5419 C CD2 . TRP B 1 276 ? -0.775 33.092 46.546 1.00 20.65 ? 275 TRP B CD2 1 ATOM 5420 N NE1 . TRP B 1 276 ? -1.311 32.001 48.432 1.00 23.12 ? 275 TRP B NE1 1 ATOM 5421 C CE2 . TRP B 1 276 ? -0.257 32.515 47.724 1.00 22.31 ? 275 TRP B CE2 1 ATOM 5422 C CE3 . TRP B 1 276 ? 0.100 33.680 45.643 1.00 21.00 ? 275 TRP B CE3 1 ATOM 5423 C CZ2 . TRP B 1 276 ? 1.096 32.515 48.027 1.00 23.37 ? 275 TRP B CZ2 1 ATOM 5424 C CZ3 . TRP B 1 276 ? 1.464 33.652 45.932 1.00 22.24 ? 275 TRP B CZ3 1 ATOM 5425 C CH2 . TRP B 1 276 ? 1.943 33.107 47.122 1.00 22.75 ? 275 TRP B CH2 1 ATOM 5426 N N . LEU B 1 277 ? -3.936 30.502 44.493 1.00 20.03 ? 276 LEU B N 1 ATOM 5427 C CA . LEU B 1 277 ? -3.890 29.049 44.591 1.00 20.79 ? 276 LEU B CA 1 ATOM 5428 C C . LEU B 1 277 ? -3.377 28.429 43.273 1.00 19.98 ? 276 LEU B C 1 ATOM 5429 O O . LEU B 1 277 ? -2.549 27.514 43.288 1.00 20.15 ? 276 LEU B O 1 ATOM 5430 C CB . LEU B 1 277 ? -5.266 28.499 44.972 1.00 22.29 ? 276 LEU B CB 1 ATOM 5431 C CG . LEU B 1 277 ? -5.902 29.050 46.256 1.00 24.02 ? 276 LEU B CG 1 ATOM 5432 C CD1 . LEU B 1 277 ? -7.283 28.453 46.478 1.00 25.45 ? 276 LEU B CD1 1 ATOM 5433 C CD2 . LEU B 1 277 ? -5.007 28.767 47.460 1.00 25.94 ? 276 LEU B CD2 1 ATOM 5434 N N . MET B 1 278 ? -3.829 28.953 42.149 1.00 19.32 ? 277 MET B N 1 ATOM 5435 C CA . MET B 1 278 ? -3.313 28.522 40.840 1.00 19.34 ? 277 MET B CA 1 ATOM 5436 C C . MET B 1 278 ? -1.800 28.766 40.680 1.00 18.61 ? 277 MET B C 1 ATOM 5437 O O . MET B 1 278 ? -1.069 27.911 40.152 1.00 17.77 ? 277 MET B O 1 ATOM 5438 C CB . MET B 1 278 ? -4.039 29.238 39.715 1.00 20.18 ? 277 MET B CB 1 ATOM 5439 C CG . MET B 1 278 ? -5.512 28.892 39.569 1.00 22.18 ? 277 MET B CG 1 ATOM 5440 S SD . MET B 1 278 ? -6.221 30.014 38.342 1.00 25.37 ? 277 MET B SD 1 ATOM 5441 C CE . MET B 1 278 ? -7.929 29.474 38.365 1.00 27.66 ? 277 MET B CE 1 ATOM 5442 N N . ARG B 1 279 ? -1.342 29.919 41.142 1.00 17.79 ? 278 ARG B N 1 ATOM 5443 C CA . ARG B 1 279 ? 0.080 30.232 41.094 1.00 17.98 ? 278 ARG B CA 1 ATOM 5444 C C . ARG B 1 279 ? 0.869 29.261 41.960 1.00 18.48 ? 278 ARG B C 1 ATOM 5445 O O . ARG B 1 279 ? 1.899 28.723 41.526 1.00 18.15 ? 278 ARG B O 1 ATOM 5446 C CB . ARG B 1 279 ? 0.344 31.696 41.491 1.00 17.83 ? 278 ARG B CB 1 ATOM 5447 C CG . ARG B 1 279 ? 1.821 32.091 41.466 1.00 17.81 ? 278 ARG B CG 1 ATOM 5448 C CD . ARG B 1 279 ? 2.412 31.962 40.080 1.00 17.38 ? 278 ARG B CD 1 ATOM 5449 N NE . ARG B 1 279 ? 3.782 32.468 40.036 1.00 17.28 ? 278 ARG B NE 1 ATOM 5450 C CZ . ARG B 1 279 ? 4.452 32.722 38.914 1.00 17.29 ? 278 ARG B CZ 1 ATOM 5451 N NH1 . ARG B 1 279 ? 3.905 32.492 37.725 1.00 17.22 ? 278 ARG B NH1 1 ATOM 5452 N NH2 . ARG B 1 279 ? 5.694 33.171 38.983 1.00 18.45 ? 278 ARG B NH2 1 ATOM 5453 N N . GLN B 1 280 ? 0.381 28.988 43.170 1.00 20.40 ? 279 GLN B N 1 ATOM 5454 C CA . GLN B 1 280 ? 1.045 27.985 44.012 1.00 22.20 ? 279 GLN B CA 1 ATOM 5455 C C . GLN B 1 280 ? 1.078 26.612 43.344 1.00 21.29 ? 279 GLN B C 1 ATOM 5456 O O . GLN B 1 280 ? 2.044 25.901 43.504 1.00 21.50 ? 279 GLN B O 1 ATOM 5457 C CB . GLN B 1 280 ? 0.360 27.855 45.351 1.00 24.52 ? 279 GLN B CB 1 ATOM 5458 C CG . GLN B 1 280 ? 0.514 29.066 46.244 1.00 27.03 ? 279 GLN B CG 1 ATOM 5459 C CD . GLN B 1 280 ? -0.104 28.793 47.599 1.00 31.44 ? 279 GLN B CD 1 ATOM 5460 O OE1 . GLN B 1 280 ? -1.277 28.411 47.702 1.00 33.83 ? 279 GLN B OE1 1 ATOM 5461 N NE2 . GLN B 1 280 ? 0.675 28.978 48.649 1.00 34.56 ? 279 GLN B NE2 1 ATOM 5462 N N . ASP B 1 281 ? -0.006 26.232 42.662 1.00 20.93 ? 280 ASP B N 1 ATOM 5463 C CA . ASP B 1 281 ? -0.095 24.912 42.005 1.00 21.87 ? 280 ASP B CA 1 ATOM 5464 C C . ASP B 1 281 ? 0.954 24.781 40.874 1.00 21.97 ? 280 ASP B C 1 ATOM 5465 O O . ASP B 1 281 ? 1.367 23.672 40.531 1.00 22.86 ? 280 ASP B O 1 ATOM 5466 C CB . ASP B 1 281 ? -1.454 24.693 41.320 1.00 23.61 ? 280 ASP B CB 1 ATOM 5467 C CG . ASP B 1 281 ? -2.650 24.608 42.280 1.00 27.14 ? 280 ASP B CG 1 ATOM 5468 O OD1 . ASP B 1 281 ? -2.469 24.372 43.508 1.00 27.82 ? 280 ASP B OD1 1 ATOM 5469 O OD2 . ASP B 1 281 ? -3.794 24.781 41.752 1.00 27.98 ? 280 ASP B OD2 1 ATOM 5470 N N . THR B 1 282 ? 1.285 25.896 40.225 1.00 19.83 ? 281 THR B N 1 ATOM 5471 C CA . THR B 1 282 ? 1.984 25.845 38.953 1.00 19.07 ? 281 THR B CA 1 ATOM 5472 C C . THR B 1 282 ? 3.413 26.400 38.969 1.00 19.93 ? 281 THR B C 1 ATOM 5473 O O . THR B 1 282 ? 4.186 26.099 38.051 1.00 20.00 ? 281 THR B O 1 ATOM 5474 C CB . THR B 1 282 ? 1.175 26.555 37.856 1.00 17.93 ? 281 THR B CB 1 ATOM 5475 O OG1 . THR B 1 282 ? 0.998 27.944 38.168 1.00 18.59 ? 281 THR B OG1 1 ATOM 5476 C CG2 . THR B 1 282 ? -0.156 25.889 37.679 1.00 18.12 ? 281 THR B CG2 1 ATOM 5477 N N . GLU B 1 283 ? 3.760 27.198 39.986 1.00 20.89 ? 282 GLU B N 1 ATOM 5478 C CA . GLU B 1 283 ? 5.048 27.934 39.982 1.00 22.68 ? 282 GLU B CA 1 ATOM 5479 C C . GLU B 1 283 ? 6.265 27.013 39.990 1.00 22.66 ? 282 GLU B C 1 ATOM 5480 O O . GLU B 1 283 ? 7.334 27.413 39.562 1.00 21.99 ? 282 GLU B O 1 ATOM 5481 C CB . GLU B 1 283 ? 5.124 28.935 41.165 1.00 24.19 ? 282 GLU B CB 1 ATOM 5482 C CG . GLU B 1 283 ? 5.145 28.275 42.530 1.00 27.44 ? 282 GLU B CG 1 ATOM 5483 C CD . GLU B 1 283 ? 5.144 29.258 43.699 1.00 33.19 ? 282 GLU B CD 1 ATOM 5484 O OE1 . GLU B 1 283 ? 5.175 30.495 43.472 1.00 40.03 ? 282 GLU B OE1 1 ATOM 5485 O OE2 . GLU B 1 283 ? 5.121 28.783 44.855 1.00 38.82 ? 282 GLU B OE2 1 ATOM 5486 N N . GLY B 1 284 ? 6.106 25.791 40.484 1.00 22.29 ? 283 GLY B N 1 ATOM 5487 C CA . GLY B 1 284 ? 7.212 24.848 40.548 1.00 23.08 ? 283 GLY B CA 1 ATOM 5488 C C . GLY B 1 284 ? 7.277 23.833 39.409 1.00 23.33 ? 283 GLY B C 1 ATOM 5489 O O . GLY B 1 284 ? 8.149 22.974 39.413 1.00 22.98 ? 283 GLY B O 1 ATOM 5490 N N . LEU B 1 285 ? 6.371 23.911 38.436 1.00 21.81 ? 284 LEU B N 1 ATOM 5491 C CA . LEU B 1 285 ? 6.293 22.866 37.404 1.00 22.14 ? 284 LEU B CA 1 ATOM 5492 C C . LEU B 1 285 ? 7.539 22.814 36.528 1.00 22.75 ? 284 LEU B C 1 ATOM 5493 O O . LEU B 1 285 ? 8.033 21.735 36.212 1.00 22.60 ? 284 LEU B O 1 ATOM 5494 C CB . LEU B 1 285 ? 5.075 23.069 36.505 1.00 21.87 ? 284 LEU B CB 1 ATOM 5495 C CG . LEU B 1 285 ? 3.727 22.900 37.203 1.00 22.23 ? 284 LEU B CG 1 ATOM 5496 C CD1 . LEU B 1 285 ? 2.593 23.324 36.272 1.00 21.45 ? 284 LEU B CD1 1 ATOM 5497 C CD2 . LEU B 1 285 ? 3.566 21.470 37.695 1.00 23.97 ? 284 LEU B CD2 1 ATOM 5498 N N . VAL B 1 286 ? 7.986 23.973 36.083 1.00 24.15 ? 285 VAL B N 1 ATOM 5499 C CA . VAL B 1 286 ? 9.158 24.065 35.237 1.00 25.56 ? 285 VAL B CA 1 ATOM 5500 C C . VAL B 1 286 ? 10.363 24.364 36.118 1.00 29.24 ? 285 VAL B C 1 ATOM 5501 O O . VAL B 1 286 ? 10.375 25.343 36.847 1.00 29.28 ? 285 VAL B O 1 ATOM 5502 C CB . VAL B 1 286 ? 8.954 25.139 34.158 1.00 25.83 ? 285 VAL B CB 1 ATOM 5503 C CG1 . VAL B 1 286 ? 10.253 25.461 33.441 1.00 27.12 ? 285 VAL B CG1 1 ATOM 5504 C CG2 . VAL B 1 286 ? 7.914 24.648 33.156 1.00 26.53 ? 285 VAL B CG2 1 ATOM 5505 N N . GLU B 1 287 ? 11.366 23.505 36.057 1.00 32.28 ? 286 GLU B N 1 ATOM 5506 C CA . GLU B 1 287 ? 12.535 23.653 36.904 1.00 36.02 ? 286 GLU B CA 1 ATOM 5507 C C . GLU B 1 287 ? 13.339 24.864 36.434 1.00 37.06 ? 286 GLU B C 1 ATOM 5508 O O . GLU B 1 287 ? 13.764 24.959 35.280 1.00 31.12 ? 286 GLU B O 1 ATOM 5509 C CB . GLU B 1 287 ? 13.361 22.370 36.921 1.00 39.42 ? 286 GLU B CB 1 ATOM 5510 C CG . GLU B 1 287 ? 14.014 22.067 38.262 1.00 45.69 ? 286 GLU B CG 1 ATOM 5511 C CD . GLU B 1 287 ? 15.110 23.057 38.622 1.00 50.60 ? 286 GLU B CD 1 ATOM 5512 O OE1 . GLU B 1 287 ? 15.883 23.457 37.719 1.00 51.51 ? 286 GLU B OE1 1 ATOM 5513 O OE2 . GLU B 1 287 ? 15.192 23.435 39.815 1.00 53.30 ? 286 GLU B OE2 1 ATOM 5514 N N . ALA B 1 288 ? 13.523 25.775 37.383 1.00 39.83 ? 287 ALA B N 1 ATOM 5515 C CA . ALA B 1 288 ? 14.075 27.098 37.173 1.00 41.36 ? 287 ALA B CA 1 ATOM 5516 C C . ALA B 1 288 ? 15.363 27.100 36.351 1.00 43.32 ? 287 ALA B C 1 ATOM 5517 O O . ALA B 1 288 ? 15.526 27.966 35.496 1.00 48.80 ? 287 ALA B O 1 ATOM 5518 C CB . ALA B 1 288 ? 14.294 27.783 38.531 1.00 40.62 ? 287 ALA B CB 1 ATOM 5519 N N . THR B 1 289 ? 16.272 26.155 36.610 1.00 39.47 ? 288 THR B N 1 ATOM 5520 C CA . THR B 1 289 ? 17.603 26.180 36.008 1.00 41.41 ? 288 THR B CA 1 ATOM 5521 C C . THR B 1 289 ? 17.894 25.069 34.982 1.00 43.20 ? 288 THR B C 1 ATOM 5522 O O . THR B 1 289 ? 18.835 25.202 34.199 1.00 46.01 ? 288 THR B O 1 ATOM 5523 C CB . THR B 1 289 ? 18.702 26.111 37.111 1.00 44.42 ? 288 THR B CB 1 ATOM 5524 O OG1 . THR B 1 289 ? 18.578 24.898 37.853 1.00 43.50 ? 288 THR B OG1 1 ATOM 5525 C CG2 . THR B 1 289 ? 18.581 27.293 38.089 1.00 45.49 ? 288 THR B CG2 1 ATOM 5526 N N . MET B 1 290 ? 17.108 23.986 34.999 1.00 37.09 ? 289 MET B N 1 ATOM 5527 C CA . MET B 1 290 ? 17.391 22.789 34.215 1.00 35.40 ? 289 MET B CA 1 ATOM 5528 C C . MET B 1 290 ? 17.147 23.024 32.716 1.00 32.58 ? 289 MET B C 1 ATOM 5529 O O . MET B 1 290 ? 16.043 23.396 32.322 1.00 29.15 ? 289 MET B O 1 ATOM 5530 C CB . MET B 1 290 ? 16.507 21.651 34.698 1.00 36.35 ? 289 MET B CB 1 ATOM 5531 C CG . MET B 1 290 ? 16.812 20.302 34.072 1.00 41.07 ? 289 MET B CG 1 ATOM 5532 S SD . MET B 1 290 ? 15.572 19.099 34.588 1.00 44.94 ? 289 MET B SD 1 ATOM 5533 C CE . MET B 1 290 ? 16.191 17.606 33.814 1.00 45.04 ? 289 MET B CE 1 ATOM 5534 N N . PRO B 1 291 ? 18.182 22.806 31.881 1.00 30.78 ? 290 PRO B N 1 ATOM 5535 C CA . PRO B 1 291 ? 18.064 23.023 30.444 1.00 29.66 ? 290 PRO B CA 1 ATOM 5536 C C . PRO B 1 291 ? 17.268 21.883 29.807 1.00 27.71 ? 290 PRO B C 1 ATOM 5537 O O . PRO B 1 291 ? 17.048 20.865 30.451 1.00 26.70 ? 290 PRO B O 1 ATOM 5538 C CB . PRO B 1 291 ? 19.516 22.990 29.959 1.00 30.63 ? 290 PRO B CB 1 ATOM 5539 C CG . PRO B 1 291 ? 20.200 22.086 30.918 1.00 32.50 ? 290 PRO B CG 1 ATOM 5540 C CD . PRO B 1 291 ? 19.499 22.253 32.248 1.00 32.42 ? 290 PRO B CD 1 ATOM 5541 N N . PRO B 1 292 ? 16.821 22.068 28.563 1.00 26.16 ? 291 PRO B N 1 ATOM 5542 C CA . PRO B 1 292 ? 15.989 21.015 27.963 1.00 25.20 ? 291 PRO B CA 1 ATOM 5543 C C . PRO B 1 292 ? 16.789 19.762 27.617 1.00 24.42 ? 291 PRO B C 1 ATOM 5544 O O . PRO B 1 292 ? 16.213 18.710 27.535 1.00 24.22 ? 291 PRO B O 1 ATOM 5545 C CB . PRO B 1 292 ? 15.432 21.674 26.712 1.00 25.03 ? 291 PRO B CB 1 ATOM 5546 C CG . PRO B 1 292 ? 16.409 22.750 26.396 1.00 26.07 ? 291 PRO B CG 1 ATOM 5547 C CD . PRO B 1 292 ? 16.834 23.281 27.734 1.00 26.30 ? 291 PRO B CD 1 ATOM 5548 N N . GLY B 1 293 ? 18.104 19.867 27.443 1.00 23.40 ? 292 GLY B N 1 ATOM 5549 C CA . GLY B 1 293 ? 18.935 18.706 27.168 1.00 23.74 ? 292 GLY B CA 1 ATOM 5550 C C . GLY B 1 293 ? 18.869 18.210 25.721 1.00 23.31 ? 292 GLY B C 1 ATOM 5551 O O . GLY B 1 293 ? 19.134 17.037 25.443 1.00 23.26 ? 292 GLY B O 1 ATOM 5552 N N . VAL B 1 294 ? 18.515 19.110 24.808 1.00 22.37 ? 293 VAL B N 1 ATOM 5553 C CA . VAL B 1 294 ? 18.519 18.852 23.370 1.00 22.33 ? 293 VAL B CA 1 ATOM 5554 C C . VAL B 1 294 ? 19.119 20.066 22.632 1.00 22.63 ? 293 VAL B C 1 ATOM 5555 O O . VAL B 1 294 ? 19.201 21.154 23.197 1.00 21.46 ? 293 VAL B O 1 ATOM 5556 C CB . VAL B 1 294 ? 17.083 18.592 22.838 1.00 22.33 ? 293 VAL B CB 1 ATOM 5557 C CG1 . VAL B 1 294 ? 16.443 17.442 23.604 1.00 22.66 ? 293 VAL B CG1 1 ATOM 5558 C CG2 . VAL B 1 294 ? 16.217 19.831 22.922 1.00 22.26 ? 293 VAL B CG2 1 ATOM 5559 N N . GLN B 1 295 ? 19.495 19.878 21.373 1.00 22.41 ? 294 GLN B N 1 ATOM 5560 C CA . GLN B 1 295 ? 19.903 20.989 20.530 1.00 23.14 ? 294 GLN B CA 1 ATOM 5561 C C . GLN B 1 295 ? 18.770 22.003 20.469 1.00 22.43 ? 294 GLN B C 1 ATOM 5562 O O . GLN B 1 295 ? 17.638 21.656 20.115 1.00 20.12 ? 294 GLN B O 1 ATOM 5563 C CB . GLN B 1 295 ? 20.222 20.518 19.120 1.00 24.96 ? 294 GLN B CB 1 ATOM 5564 C CG . GLN B 1 295 ? 20.732 21.650 18.247 1.00 27.12 ? 294 GLN B CG 1 ATOM 5565 C CD . GLN B 1 295 ? 21.012 21.196 16.848 1.00 28.63 ? 294 GLN B CD 1 ATOM 5566 O OE1 . GLN B 1 295 ? 20.252 21.475 15.923 1.00 30.06 ? 294 GLN B OE1 1 ATOM 5567 N NE2 . GLN B 1 295 ? 22.088 20.455 16.688 1.00 32.37 ? 294 GLN B NE2 1 ATOM 5568 N N . LEU B 1 296 ? 19.067 23.241 20.831 1.00 21.61 ? 295 LEU B N 1 ATOM 5569 C CA . LEU B 1 296 ? 18.050 24.269 21.000 1.00 21.60 ? 295 LEU B CA 1 ATOM 5570 C C . LEU B 1 296 ? 18.362 25.488 20.130 1.00 21.83 ? 295 LEU B C 1 ATOM 5571 O O . LEU B 1 296 ? 19.507 25.972 20.114 1.00 24.00 ? 295 LEU B O 1 ATOM 5572 C CB . LEU B 1 296 ? 17.982 24.677 22.464 1.00 21.88 ? 295 LEU B CB 1 ATOM 5573 C CG . LEU B 1 296 ? 17.075 25.838 22.820 1.00 23.17 ? 295 LEU B CG 1 ATOM 5574 C CD1 . LEU B 1 296 ? 15.615 25.478 22.623 1.00 23.05 ? 295 LEU B CD1 1 ATOM 5575 C CD2 . LEU B 1 296 ? 17.344 26.244 24.257 1.00 24.79 ? 295 LEU B CD2 1 ATOM 5576 N N . HIS B 1 297 ? 17.365 25.948 19.378 1.00 20.80 ? 296 HIS B N 1 ATOM 5577 C CA . HIS B 1 297 ? 17.471 27.168 18.581 1.00 21.47 ? 296 HIS B CA 1 ATOM 5578 C C . HIS B 1 297 ? 16.479 28.144 19.198 1.00 21.72 ? 296 HIS B C 1 ATOM 5579 O O . HIS B 1 297 ? 15.265 27.963 19.072 1.00 21.08 ? 296 HIS B O 1 ATOM 5580 C CB . HIS B 1 297 ? 17.130 26.911 17.109 1.00 21.18 ? 296 HIS B CB 1 ATOM 5581 C CG . HIS B 1 297 ? 18.004 25.888 16.454 1.00 22.73 ? 296 HIS B CG 1 ATOM 5582 N ND1 . HIS B 1 297 ? 19.056 26.222 15.633 1.00 23.60 ? 296 HIS B ND1 1 ATOM 5583 C CD2 . HIS B 1 297 ? 17.995 24.535 16.515 1.00 23.39 ? 296 HIS B CD2 1 ATOM 5584 C CE1 . HIS B 1 297 ? 19.657 25.122 15.210 1.00 24.91 ? 296 HIS B CE1 1 ATOM 5585 N NE2 . HIS B 1 297 ? 19.041 24.083 15.742 1.00 23.54 ? 296 HIS B NE2 1 ATOM 5586 N N . CYS B 1 298 ? 17.000 29.180 19.838 1.00 22.57 ? 297 CYS B N 1 ATOM 5587 C CA A CYS B 1 298 ? 16.174 30.145 20.550 0.50 24.43 ? 297 CYS B CA 1 ATOM 5588 C CA B CYS B 1 298 ? 16.174 30.170 20.548 0.50 23.81 ? 297 CYS B CA 1 ATOM 5589 C C . CYS B 1 298 ? 15.985 31.424 19.729 1.00 23.66 ? 297 CYS B C 1 ATOM 5590 O O . CYS B 1 298 ? 16.904 32.219 19.591 1.00 23.93 ? 297 CYS B O 1 ATOM 5591 C CB A CYS B 1 298 ? 16.827 30.410 21.885 0.50 26.53 ? 297 CYS B CB 1 ATOM 5592 C CB B CYS B 1 298 ? 16.836 30.548 21.857 0.50 25.25 ? 297 CYS B CB 1 ATOM 5593 S SG A CYS B 1 298 ? 16.027 31.653 22.875 0.50 32.45 ? 297 CYS B SG 1 ATOM 5594 S SG B CYS B 1 298 ? 16.604 29.283 23.081 0.50 28.37 ? 297 CYS B SG 1 ATOM 5595 N N . LEU B 1 299 ? 14.795 31.580 19.155 1.00 21.68 ? 298 LEU B N 1 ATOM 5596 C CA . LEU B 1 299 ? 14.500 32.713 18.302 1.00 22.13 ? 298 LEU B CA 1 ATOM 5597 C C . LEU B 1 299 ? 13.639 33.705 19.081 1.00 21.35 ? 298 LEU B C 1 ATOM 5598 O O . LEU B 1 299 ? 12.585 33.351 19.581 1.00 20.03 ? 298 LEU B O 1 ATOM 5599 C CB . LEU B 1 299 ? 13.805 32.262 17.012 1.00 23.29 ? 298 LEU B CB 1 ATOM 5600 C CG . LEU B 1 299 ? 14.734 31.767 15.880 1.00 26.02 ? 298 LEU B CG 1 ATOM 5601 C CD1 . LEU B 1 299 ? 15.531 30.539 16.296 1.00 26.66 ? 298 LEU B CD1 1 ATOM 5602 C CD2 . LEU B 1 299 ? 13.939 31.457 14.630 1.00 27.21 ? 298 LEU B CD2 1 ATOM 5603 N N . TYR B 1 300 ? 14.095 34.954 19.165 1.00 21.74 ? 299 TYR B N 1 ATOM 5604 C CA . TYR B 1 300 ? 13.417 35.948 20.006 1.00 21.94 ? 299 TYR B CA 1 ATOM 5605 C C . TYR B 1 300 ? 13.385 37.281 19.283 1.00 22.29 ? 299 TYR B C 1 ATOM 5606 O O . TYR B 1 300 ? 14.374 37.697 18.662 1.00 21.62 ? 299 TYR B O 1 ATOM 5607 C CB . TYR B 1 300 ? 14.098 36.058 21.396 1.00 22.98 ? 299 TYR B CB 1 ATOM 5608 C CG . TYR B 1 300 ? 15.550 36.471 21.349 1.00 24.08 ? 299 TYR B CG 1 ATOM 5609 C CD1 . TYR B 1 300 ? 16.564 35.542 21.159 1.00 25.27 ? 299 TYR B CD1 1 ATOM 5610 C CD2 . TYR B 1 300 ? 15.914 37.794 21.501 1.00 26.30 ? 299 TYR B CD2 1 ATOM 5611 C CE1 . TYR B 1 300 ? 17.896 35.939 21.087 1.00 27.46 ? 299 TYR B CE1 1 ATOM 5612 C CE2 . TYR B 1 300 ? 17.239 38.197 21.426 1.00 27.79 ? 299 TYR B CE2 1 ATOM 5613 C CZ . TYR B 1 300 ? 18.224 37.266 21.237 1.00 29.07 ? 299 TYR B CZ 1 ATOM 5614 O OH . TYR B 1 300 ? 19.535 37.690 21.181 1.00 34.78 ? 299 TYR B OH 1 ATOM 5615 N N . GLY B 1 301 ? 12.244 37.945 19.361 1.00 21.42 ? 300 GLY B N 1 ATOM 5616 C CA . GLY B 1 301 ? 12.103 39.265 18.751 1.00 22.51 ? 300 GLY B CA 1 ATOM 5617 C C . GLY B 1 301 ? 12.625 40.386 19.635 1.00 22.99 ? 300 GLY B C 1 ATOM 5618 O O . GLY B 1 301 ? 12.521 40.328 20.876 1.00 23.15 ? 300 GLY B O 1 ATOM 5619 N N . THR B 1 302 ? 13.144 41.429 18.990 1.00 24.54 ? 301 THR B N 1 ATOM 5620 C CA . THR B 1 302 ? 13.556 42.645 19.670 1.00 24.86 ? 301 THR B CA 1 ATOM 5621 C C . THR B 1 302 ? 13.064 43.847 18.895 1.00 25.66 ? 301 THR B C 1 ATOM 5622 O O . THR B 1 302 ? 12.560 43.723 17.777 1.00 24.99 ? 301 THR B O 1 ATOM 5623 C CB . THR B 1 302 ? 15.089 42.758 19.801 1.00 26.24 ? 301 THR B CB 1 ATOM 5624 O OG1 . THR B 1 302 ? 15.689 42.786 18.493 1.00 26.95 ? 301 THR B OG1 1 ATOM 5625 C CG2 . THR B 1 302 ? 15.632 41.608 20.596 1.00 26.02 ? 301 THR B CG2 1 ATOM 5626 N N . GLY B 1 303 ? 13.215 45.019 19.506 1.00 26.49 ? 302 GLY B N 1 ATOM 5627 C CA . GLY B 1 303 ? 12.913 46.290 18.834 1.00 27.93 ? 302 GLY B CA 1 ATOM 5628 C C . GLY B 1 303 ? 11.436 46.624 18.781 1.00 28.73 ? 302 GLY B C 1 ATOM 5629 O O . GLY B 1 303 ? 11.048 47.533 18.053 1.00 29.57 ? 302 GLY B O 1 ATOM 5630 N N . VAL B 1 304 ? 10.609 45.891 19.528 1.00 25.00 ? 303 VAL B N 1 ATOM 5631 C CA . VAL B 1 304 ? 9.187 46.145 19.565 1.00 25.52 ? 303 VAL B CA 1 ATOM 5632 C C . VAL B 1 304 ? 8.862 46.571 20.994 1.00 24.48 ? 303 VAL B C 1 ATOM 5633 O O . VAL B 1 304 ? 9.190 45.860 21.925 1.00 23.70 ? 303 VAL B O 1 ATOM 5634 C CB . VAL B 1 304 ? 8.362 44.882 19.214 1.00 25.33 ? 303 VAL B CB 1 ATOM 5635 C CG1 . VAL B 1 304 ? 6.877 45.204 19.237 1.00 25.69 ? 303 VAL B CG1 1 ATOM 5636 C CG2 . VAL B 1 304 ? 8.789 44.321 17.855 1.00 25.78 ? 303 VAL B CG2 1 ATOM 5637 N N . PRO B 1 305 ? 8.248 47.761 21.183 1.00 24.51 ? 304 PRO B N 1 ATOM 5638 C CA . PRO B 1 305 ? 7.954 48.162 22.556 1.00 23.55 ? 304 PRO B CA 1 ATOM 5639 C C . PRO B 1 305 ? 7.094 47.113 23.268 1.00 22.23 ? 304 PRO B C 1 ATOM 5640 O O . PRO B 1 305 ? 6.068 46.683 22.741 1.00 21.68 ? 304 PRO B O 1 ATOM 5641 C CB . PRO B 1 305 ? 7.208 49.495 22.382 1.00 24.30 ? 304 PRO B CB 1 ATOM 5642 C CG . PRO B 1 305 ? 7.667 50.008 21.067 1.00 25.93 ? 304 PRO B CG 1 ATOM 5643 C CD . PRO B 1 305 ? 7.767 48.768 20.222 1.00 25.55 ? 304 PRO B CD 1 ATOM 5644 N N . THR B 1 306 ? 7.555 46.662 24.422 1.00 21.37 ? 305 THR B N 1 ATOM 5645 C CA . THR B 1 306 ? 6.927 45.559 25.151 1.00 21.38 ? 305 THR B CA 1 ATOM 5646 C C . THR B 1 306 ? 6.574 46.016 26.570 1.00 20.89 ? 305 THR B C 1 ATOM 5647 O O . THR B 1 306 ? 7.450 46.500 27.277 1.00 20.60 ? 305 THR B O 1 ATOM 5648 C CB . THR B 1 306 ? 7.900 44.379 25.216 1.00 20.83 ? 305 THR B CB 1 ATOM 5649 O OG1 . THR B 1 306 ? 8.335 44.081 23.874 1.00 21.34 ? 305 THR B OG1 1 ATOM 5650 C CG2 . THR B 1 306 ? 7.247 43.175 25.856 1.00 20.27 ? 305 THR B CG2 1 ATOM 5651 N N . PRO B 1 307 ? 5.295 45.923 26.961 1.00 21.08 ? 306 PRO B N 1 ATOM 5652 C CA . PRO B 1 307 ? 4.915 46.318 28.320 1.00 21.86 ? 306 PRO B CA 1 ATOM 5653 C C . PRO B 1 307 ? 5.796 45.682 29.400 1.00 22.25 ? 306 PRO B C 1 ATOM 5654 O O . PRO B 1 307 ? 6.025 44.461 29.386 1.00 19.49 ? 306 PRO B O 1 ATOM 5655 C CB . PRO B 1 307 ? 3.472 45.817 28.441 1.00 22.28 ? 306 PRO B CB 1 ATOM 5656 C CG . PRO B 1 307 ? 2.980 45.789 27.046 1.00 23.15 ? 306 PRO B CG 1 ATOM 5657 C CD . PRO B 1 307 ? 4.163 45.280 26.263 1.00 23.12 ? 306 PRO B CD 1 ATOM 5658 N N . ASP B 1 308 ? 6.322 46.535 30.271 1.00 23.04 ? 307 ASP B N 1 ATOM 5659 C CA . ASP B 1 308 ? 7.278 46.179 31.310 1.00 26.64 ? 307 ASP B CA 1 ATOM 5660 C C . ASP B 1 308 ? 6.692 46.419 32.722 1.00 24.64 ? 307 ASP B C 1 ATOM 5661 O O . ASP B 1 308 ? 6.990 45.679 33.652 1.00 23.57 ? 307 ASP B O 1 ATOM 5662 C CB . ASP B 1 308 ? 8.550 47.023 31.099 1.00 33.50 ? 307 ASP B CB 1 ATOM 5663 C CG . ASP B 1 308 ? 9.457 47.058 32.313 1.00 41.46 ? 307 ASP B CG 1 ATOM 5664 O OD1 . ASP B 1 308 ? 10.313 46.149 32.425 1.00 50.55 ? 307 ASP B OD1 1 ATOM 5665 O OD2 . ASP B 1 308 ? 9.293 47.972 33.179 1.00 47.38 ? 307 ASP B OD2 1 ATOM 5666 N N . SER B 1 309 ? 5.869 47.455 32.872 1.00 22.09 ? 308 SER B N 1 ATOM 5667 C CA . SER B 1 309 ? 5.245 47.785 34.145 1.00 21.75 ? 308 SER B CA 1 ATOM 5668 C C . SER B 1 309 ? 4.097 48.758 33.917 1.00 21.15 ? 308 SER B C 1 ATOM 5669 O O . SER B 1 309 ? 3.955 49.309 32.818 1.00 20.13 ? 308 SER B O 1 ATOM 5670 C CB . SER B 1 309 ? 6.242 48.392 35.131 1.00 22.89 ? 308 SER B CB 1 ATOM 5671 O OG . SER B 1 309 ? 6.931 49.451 34.537 1.00 24.18 ? 308 SER B OG 1 ATOM 5672 N N . PHE B 1 310 ? 3.248 48.891 34.940 1.00 19.66 ? 309 PHE B N 1 ATOM 5673 C CA . PHE B 1 310 ? 1.938 49.534 34.821 1.00 19.76 ? 309 PHE B CA 1 ATOM 5674 C C . PHE B 1 310 ? 1.714 50.447 35.993 1.00 21.32 ? 309 PHE B C 1 ATOM 5675 O O . PHE B 1 310 ? 1.994 50.073 37.135 1.00 22.13 ? 309 PHE B O 1 ATOM 5676 C CB . PHE B 1 310 ? 0.835 48.479 34.764 1.00 20.22 ? 309 PHE B CB 1 ATOM 5677 C CG . PHE B 1 310 ? 1.060 47.452 33.698 1.00 19.78 ? 309 PHE B CG 1 ATOM 5678 C CD1 . PHE B 1 310 ? 0.700 47.717 32.383 1.00 20.34 ? 309 PHE B CD1 1 ATOM 5679 C CD2 . PHE B 1 310 ? 1.678 46.261 33.996 1.00 19.55 ? 309 PHE B CD2 1 ATOM 5680 C CE1 . PHE B 1 310 ? 0.962 46.804 31.375 1.00 20.52 ? 309 PHE B CE1 1 ATOM 5681 C CE2 . PHE B 1 310 ? 1.920 45.332 33.008 1.00 19.84 ? 309 PHE B CE2 1 ATOM 5682 C CZ . PHE B 1 310 ? 1.554 45.608 31.690 1.00 19.47 ? 309 PHE B CZ 1 ATOM 5683 N N . TYR B 1 311 ? 1.173 51.621 35.713 1.00 22.96 ? 310 TYR B N 1 ATOM 5684 C CA . TYR B 1 311 ? 0.770 52.551 36.759 1.00 25.06 ? 310 TYR B CA 1 ATOM 5685 C C . TYR B 1 311 ? -0.747 52.711 36.711 1.00 24.80 ? 310 TYR B C 1 ATOM 5686 O O . TYR B 1 311 ? -1.301 53.121 35.699 1.00 24.69 ? 310 TYR B O 1 ATOM 5687 C CB . TYR B 1 311 ? 1.443 53.896 36.591 1.00 28.04 ? 310 TYR B CB 1 ATOM 5688 C CG . TYR B 1 311 ? 1.204 54.729 37.812 1.00 32.15 ? 310 TYR B CG 1 ATOM 5689 C CD1 . TYR B 1 311 ? 0.008 55.423 38.014 1.00 36.83 ? 310 TYR B CD1 1 ATOM 5690 C CD2 . TYR B 1 311 ? 2.150 54.741 38.819 1.00 34.73 ? 310 TYR B CD2 1 ATOM 5691 C CE1 . TYR B 1 311 ? -0.202 56.157 39.180 1.00 39.44 ? 310 TYR B CE1 1 ATOM 5692 C CE2 . TYR B 1 311 ? 1.954 55.462 39.978 1.00 38.64 ? 310 TYR B CE2 1 ATOM 5693 C CZ . TYR B 1 311 ? 0.782 56.165 40.159 1.00 40.96 ? 310 TYR B CZ 1 ATOM 5694 O OH . TYR B 1 311 ? 0.625 56.882 41.333 1.00 44.60 ? 310 TYR B OH 1 ATOM 5695 N N . TYR B 1 312 ? -1.417 52.383 37.814 1.00 24.90 ? 311 TYR B N 1 ATOM 5696 C CA . TYR B 1 312 ? -2.877 52.477 37.891 1.00 26.31 ? 311 TYR B CA 1 ATOM 5697 C C . TYR B 1 312 ? -3.248 53.651 38.765 1.00 28.84 ? 311 TYR B C 1 ATOM 5698 O O . TYR B 1 312 ? -2.893 53.692 39.927 1.00 30.50 ? 311 TYR B O 1 ATOM 5699 C CB . TYR B 1 312 ? -3.473 51.224 38.494 1.00 25.83 ? 311 TYR B CB 1 ATOM 5700 C CG . TYR B 1 312 ? -3.539 50.023 37.600 1.00 23.56 ? 311 TYR B CG 1 ATOM 5701 C CD1 . TYR B 1 312 ? -2.439 49.198 37.437 1.00 23.44 ? 311 TYR B CD1 1 ATOM 5702 C CD2 . TYR B 1 312 ? -4.715 49.697 36.932 1.00 23.83 ? 311 TYR B CD2 1 ATOM 5703 C CE1 . TYR B 1 312 ? -2.504 48.076 36.633 1.00 22.49 ? 311 TYR B CE1 1 ATOM 5704 C CE2 . TYR B 1 312 ? -4.803 48.586 36.126 1.00 22.78 ? 311 TYR B CE2 1 ATOM 5705 C CZ . TYR B 1 312 ? -3.697 47.770 35.978 1.00 22.87 ? 311 TYR B CZ 1 ATOM 5706 O OH . TYR B 1 312 ? -3.791 46.686 35.142 1.00 23.19 ? 311 TYR B OH 1 ATOM 5707 N N . GLU B 1 313 ? -3.947 54.615 38.201 1.00 30.66 ? 312 GLU B N 1 ATOM 5708 C CA . GLU B 1 313 ? -4.498 55.704 39.007 1.00 35.55 ? 312 GLU B CA 1 ATOM 5709 C C . GLU B 1 313 ? -5.713 55.211 39.779 1.00 34.65 ? 312 GLU B C 1 ATOM 5710 O O . GLU B 1 313 ? -6.006 55.712 40.849 1.00 36.27 ? 312 GLU B O 1 ATOM 5711 C CB . GLU B 1 313 ? -4.837 56.900 38.117 1.00 38.01 ? 312 GLU B CB 1 ATOM 5712 C CG . GLU B 1 313 ? -3.566 57.486 37.508 1.00 43.78 ? 312 GLU B CG 1 ATOM 5713 C CD . GLU B 1 313 ? -3.801 58.475 36.376 1.00 48.88 ? 312 GLU B CD 1 ATOM 5714 O OE1 . GLU B 1 313 ? -4.937 58.981 36.218 1.00 52.56 ? 312 GLU B OE1 1 ATOM 5715 O OE2 . GLU B 1 313 ? -2.826 58.753 35.646 1.00 52.88 ? 312 GLU B OE2 1 ATOM 5716 N N . SER B 1 314 ? -6.421 54.246 39.204 1.00 35.48 ? 313 SER B N 1 ATOM 5717 C CA . SER B 1 314 ? -7.545 53.594 39.852 1.00 37.37 ? 313 SER B CA 1 ATOM 5718 C C . SER B 1 314 ? -7.438 52.094 39.581 1.00 33.41 ? 313 SER B C 1 ATOM 5719 O O . SER B 1 314 ? -7.561 51.650 38.437 1.00 36.40 ? 313 SER B O 1 ATOM 5720 C CB . SER B 1 314 ? -8.864 54.153 39.296 1.00 39.84 ? 313 SER B CB 1 ATOM 5721 O OG . SER B 1 314 ? -9.965 53.410 39.775 1.00 44.73 ? 313 SER B OG 1 ATOM 5722 N N . PHE B 1 315 ? -7.237 51.320 40.635 1.00 31.19 ? 314 PHE B N 1 ATOM 5723 C CA . PHE B 1 315 ? -6.918 49.899 40.517 1.00 29.82 ? 314 PHE B CA 1 ATOM 5724 C C . PHE B 1 315 ? -8.041 49.082 41.146 1.00 30.73 ? 314 PHE B C 1 ATOM 5725 O O . PHE B 1 315 ? -8.486 49.446 42.212 1.00 31.72 ? 314 PHE B O 1 ATOM 5726 C CB . PHE B 1 315 ? -5.623 49.684 41.280 1.00 28.10 ? 314 PHE B CB 1 ATOM 5727 C CG . PHE B 1 315 ? -5.130 48.270 41.305 1.00 26.86 ? 314 PHE B CG 1 ATOM 5728 C CD1 . PHE B 1 315 ? -4.438 47.760 40.243 1.00 26.69 ? 314 PHE B CD1 1 ATOM 5729 C CD2 . PHE B 1 315 ? -5.297 47.484 42.440 1.00 26.91 ? 314 PHE B CD2 1 ATOM 5730 C CE1 . PHE B 1 315 ? -3.945 46.472 40.273 1.00 26.09 ? 314 PHE B CE1 1 ATOM 5731 C CE2 . PHE B 1 315 ? -4.807 46.206 42.482 1.00 25.69 ? 314 PHE B CE2 1 ATOM 5732 C CZ . PHE B 1 315 ? -4.129 45.697 41.402 1.00 26.13 ? 314 PHE B CZ 1 ATOM 5733 N N . PRO B 1 316 ? -8.503 47.989 40.541 1.00 31.28 ? 315 PRO B N 1 ATOM 5734 C CA . PRO B 1 316 ? -7.987 47.406 39.296 1.00 33.10 ? 315 PRO B CA 1 ATOM 5735 C C . PRO B 1 316 ? -8.917 47.580 38.070 1.00 35.41 ? 315 PRO B C 1 ATOM 5736 O O . PRO B 1 316 ? -8.694 46.937 37.055 1.00 37.07 ? 315 PRO B O 1 ATOM 5737 C CB . PRO B 1 316 ? -7.954 45.918 39.638 1.00 32.01 ? 315 PRO B CB 1 ATOM 5738 C CG . PRO B 1 316 ? -9.195 45.743 40.481 1.00 32.15 ? 315 PRO B CG 1 ATOM 5739 C CD . PRO B 1 316 ? -9.358 47.031 41.272 1.00 32.48 ? 315 PRO B CD 1 ATOM 5740 N N . ASP B 1 317 ? -9.970 48.384 38.160 1.00 37.09 ? 316 ASP B N 1 ATOM 5741 C CA . ASP B 1 317 ? -11.022 48.347 37.119 1.00 41.67 ? 316 ASP B CA 1 ATOM 5742 C C . ASP B 1 317 ? -10.894 49.436 36.049 1.00 45.88 ? 316 ASP B C 1 ATOM 5743 O O . ASP B 1 317 ? -11.841 49.631 35.278 1.00 51.36 ? 316 ASP B O 1 ATOM 5744 C CB . ASP B 1 317 ? -12.429 48.430 37.750 1.00 44.97 ? 316 ASP B CB 1 ATOM 5745 C CG . ASP B 1 317 ? -12.814 47.170 38.528 1.00 46.70 ? 316 ASP B CG 1 ATOM 5746 O OD1 . ASP B 1 317 ? -12.272 46.069 38.279 1.00 44.89 ? 316 ASP B OD1 1 ATOM 5747 O OD2 . ASP B 1 317 ? -13.684 47.293 39.414 1.00 53.41 ? 316 ASP B OD2 1 ATOM 5748 N N . ARG B 1 318 ? -9.761 50.136 36.005 1.00 42.75 ? 317 ARG B N 1 ATOM 5749 C CA . ARG B 1 318 ? -9.483 51.126 34.971 1.00 44.70 ? 317 ARG B CA 1 ATOM 5750 C C . ARG B 1 318 ? -8.157 50.773 34.306 1.00 40.70 ? 317 ARG B C 1 ATOM 5751 O O . ARG B 1 318 ? -7.269 50.232 34.956 1.00 37.59 ? 317 ARG B O 1 ATOM 5752 C CB . ARG B 1 318 ? -9.385 52.521 35.579 1.00 50.17 ? 317 ARG B CB 1 ATOM 5753 C CG . ARG B 1 318 ? -10.706 53.190 35.891 1.00 57.94 ? 317 ARG B CG 1 ATOM 5754 C CD . ARG B 1 318 ? -10.935 54.336 34.957 1.00 65.34 ? 317 ARG B CD 1 ATOM 5755 N NE . ARG B 1 318 ? -9.866 55.321 35.109 1.00 70.79 ? 317 ARG B NE 1 ATOM 5756 C CZ . ARG B 1 318 ? -9.788 56.239 36.073 1.00 74.73 ? 317 ARG B CZ 1 ATOM 5757 N NH1 . ARG B 1 318 ? -10.739 56.344 37.000 1.00 74.89 ? 317 ARG B NH1 1 ATOM 5758 N NH2 . ARG B 1 318 ? -8.749 57.070 36.106 1.00 76.87 ? 317 ARG B NH2 1 ATOM 5759 N N . ASP B 1 319 ? -8.028 51.069 33.016 1.00 37.91 ? 318 ASP B N 1 ATOM 5760 C CA . ASP B 1 319 ? -6.812 50.738 32.270 1.00 36.79 ? 318 ASP B CA 1 ATOM 5761 C C . ASP B 1 319 ? -5.612 51.542 32.789 1.00 31.55 ? 318 ASP B C 1 ATOM 5762 O O . ASP B 1 319 ? -5.754 52.696 33.150 1.00 32.00 ? 318 ASP B O 1 ATOM 5763 C CB . ASP B 1 319 ? -6.990 51.001 30.773 1.00 41.43 ? 318 ASP B CB 1 ATOM 5764 C CG . ASP B 1 319 ? -7.933 50.010 30.101 1.00 45.42 ? 318 ASP B CG 1 ATOM 5765 O OD1 . ASP B 1 319 ? -8.106 48.854 30.573 1.00 50.09 ? 318 ASP B OD1 1 ATOM 5766 O OD2 . ASP B 1 319 ? -8.507 50.383 29.064 1.00 51.70 ? 318 ASP B OD2 1 ATOM 5767 N N . PRO B 1 320 ? -4.439 50.914 32.874 1.00 26.70 ? 319 PRO B N 1 ATOM 5768 C CA . PRO B 1 320 ? -3.274 51.591 33.416 1.00 25.57 ? 319 PRO B CA 1 ATOM 5769 C C . PRO B 1 320 ? -2.485 52.382 32.377 1.00 25.13 ? 319 PRO B C 1 ATOM 5770 O O . PRO B 1 320 ? -2.692 52.193 31.181 1.00 24.76 ? 319 PRO B O 1 ATOM 5771 C CB . PRO B 1 320 ? -2.423 50.432 33.915 1.00 24.74 ? 319 PRO B CB 1 ATOM 5772 C CG . PRO B 1 320 ? -2.721 49.336 32.965 1.00 24.84 ? 319 PRO B CG 1 ATOM 5773 C CD . PRO B 1 320 ? -4.176 49.483 32.633 1.00 25.90 ? 319 PRO B CD 1 ATOM 5774 N N . LYS B 1 321 ? -1.596 53.249 32.854 1.00 24.24 ? 320 LYS B N 1 ATOM 5775 C CA . LYS B 1 321 ? -0.529 53.814 32.027 1.00 24.31 ? 320 LYS B CA 1 ATOM 5776 C C . LYS B 1 321 ? 0.560 52.774 31.911 1.00 22.95 ? 320 LYS B C 1 ATOM 5777 O O . LYS B 1 321 ? 0.749 51.993 32.836 1.00 22.41 ? 320 LYS B O 1 ATOM 5778 C CB . LYS B 1 321 ? 0.072 55.052 32.673 1.00 25.69 ? 320 LYS B CB 1 ATOM 5779 C CG . LYS B 1 321 ? -0.913 56.099 33.154 1.00 27.85 ? 320 LYS B CG 1 ATOM 5780 C CD . LYS B 1 321 ? -1.939 56.463 32.104 1.00 29.12 ? 320 LYS B CD 1 ATOM 5781 C CE . LYS B 1 321 ? -2.989 57.332 32.767 1.00 31.32 ? 320 LYS B CE 1 ATOM 5782 N NZ . LYS B 1 321 ? -3.974 57.732 31.763 1.00 33.77 ? 320 LYS B NZ 1 ATOM 5783 N N . ILE B 1 322 ? 1.274 52.744 30.795 1.00 22.22 ? 321 ILE B N 1 ATOM 5784 C CA . ILE B 1 322 ? 2.206 51.665 30.530 1.00 21.64 ? 321 ILE B CA 1 ATOM 5785 C C . ILE B 1 322 ? 3.632 52.154 30.339 1.00 22.25 ? 321 ILE B C 1 ATOM 5786 O O . ILE B 1 322 ? 3.874 53.137 29.619 1.00 22.12 ? 321 ILE B O 1 ATOM 5787 C CB . ILE B 1 322 ? 1.762 50.849 29.291 1.00 22.36 ? 321 ILE B CB 1 ATOM 5788 C CG1 . ILE B 1 322 ? 0.334 50.308 29.473 1.00 23.50 ? 321 ILE B CG1 1 ATOM 5789 C CG2 . ILE B 1 322 ? 2.709 49.678 29.040 1.00 22.14 ? 321 ILE B CG2 1 ATOM 5790 C CD1 . ILE B 1 322 ? -0.208 49.565 28.261 1.00 25.63 ? 321 ILE B CD1 1 ATOM 5791 N N . CYS B 1 323 ? 4.563 51.454 30.973 1.00 21.96 ? 322 CYS B N 1 ATOM 5792 C CA A CYS B 1 323 ? 5.994 51.627 30.715 0.50 22.98 ? 322 CYS B CA 1 ATOM 5793 C CA B CYS B 1 323 ? 6.006 51.614 30.714 0.50 23.15 ? 322 CYS B CA 1 ATOM 5794 C C . CYS B 1 323 ? 6.481 50.465 29.831 1.00 22.88 ? 322 CYS B C 1 ATOM 5795 O O . CYS B 1 323 ? 6.158 49.298 30.100 1.00 21.95 ? 322 CYS B O 1 ATOM 5796 C CB A CYS B 1 323 ? 6.750 51.644 32.036 0.50 23.64 ? 322 CYS B CB 1 ATOM 5797 C CB B CYS B 1 323 ? 6.806 51.571 32.014 0.50 24.00 ? 322 CYS B CB 1 ATOM 5798 S SG A CYS B 1 323 ? 8.533 51.972 31.870 0.50 25.73 ? 322 CYS B SG 1 ATOM 5799 S SG B CYS B 1 323 ? 6.713 53.092 32.950 0.50 26.60 ? 322 CYS B SG 1 ATOM 5800 N N . PHE B 1 324 ? 7.256 50.775 28.794 1.00 23.16 ? 323 PHE B N 1 ATOM 5801 C CA . PHE B 1 324 ? 7.678 49.785 27.816 1.00 23.40 ? 323 PHE B CA 1 ATOM 5802 C C . PHE B 1 324 ? 9.168 49.494 27.898 1.00 24.38 ? 323 PHE B C 1 ATOM 5803 O O . PHE B 1 324 ? 9.969 50.413 28.102 1.00 25.41 ? 323 PHE B O 1 ATOM 5804 C CB . PHE B 1 324 ? 7.382 50.276 26.390 1.00 23.74 ? 323 PHE B CB 1 ATOM 5805 C CG . PHE B 1 324 ? 5.920 50.443 26.099 1.00 23.47 ? 323 PHE B CG 1 ATOM 5806 C CD1 . PHE B 1 324 ? 5.180 49.379 25.671 1.00 23.04 ? 323 PHE B CD1 1 ATOM 5807 C CD2 . PHE B 1 324 ? 5.284 51.670 26.281 1.00 23.82 ? 323 PHE B CD2 1 ATOM 5808 C CE1 . PHE B 1 324 ? 3.825 49.495 25.404 1.00 23.41 ? 323 PHE B CE1 1 ATOM 5809 C CE2 . PHE B 1 324 ? 3.918 51.793 26.014 1.00 24.50 ? 323 PHE B CE2 1 ATOM 5810 C CZ . PHE B 1 324 ? 3.189 50.703 25.581 1.00 23.90 ? 323 PHE B CZ 1 ATOM 5811 N N . GLY B 1 325 ? 9.527 48.233 27.689 1.00 23.62 ? 324 GLY B N 1 ATOM 5812 C CA . GLY B 1 325 ? 10.921 47.845 27.487 1.00 23.70 ? 324 GLY B CA 1 ATOM 5813 C C . GLY B 1 325 ? 11.081 47.137 26.153 1.00 24.12 ? 324 GLY B C 1 ATOM 5814 O O . GLY B 1 325 ? 10.222 47.224 25.283 1.00 23.94 ? 324 GLY B O 1 ATOM 5815 N N . ASP B 1 326 ? 12.194 46.440 25.995 1.00 24.11 ? 325 ASP B N 1 ATOM 5816 C CA . ASP B 1 326 ? 12.496 45.796 24.734 1.00 24.26 ? 325 ASP B CA 1 ATOM 5817 C C . ASP B 1 326 ? 11.920 44.378 24.757 1.00 22.90 ? 325 ASP B C 1 ATOM 5818 O O . ASP B 1 326 ? 11.608 43.828 25.818 1.00 23.05 ? 325 ASP B O 1 ATOM 5819 C CB . ASP B 1 326 ? 14.008 45.798 24.502 1.00 25.93 ? 325 ASP B CB 1 ATOM 5820 C CG . ASP B 1 326 ? 14.392 45.636 23.045 1.00 28.28 ? 325 ASP B CG 1 ATOM 5821 O OD1 . ASP B 1 326 ? 13.527 45.395 22.169 1.00 28.03 ? 325 ASP B OD1 1 ATOM 5822 O OD2 . ASP B 1 326 ? 15.600 45.786 22.771 1.00 30.87 ? 325 ASP B OD2 1 ATOM 5823 N N . GLY B 1 327 ? 11.739 43.827 23.564 1.00 22.77 ? 326 GLY B N 1 ATOM 5824 C CA . GLY B 1 327 ? 11.147 42.492 23.358 1.00 21.70 ? 326 GLY B CA 1 ATOM 5825 C C . GLY B 1 327 ? 10.396 42.451 22.035 1.00 21.52 ? 326 GLY B C 1 ATOM 5826 O O . GLY B 1 327 ? 10.742 43.189 21.088 1.00 20.90 ? 326 GLY B O 1 ATOM 5827 N N . ASP B 1 328 ? 9.387 41.581 21.961 1.00 20.30 ? 327 ASP B N 1 ATOM 5828 C CA . ASP B 1 328 ? 8.652 41.343 20.713 1.00 21.43 ? 327 ASP B CA 1 ATOM 5829 C C . ASP B 1 328 ? 7.215 41.865 20.759 1.00 21.67 ? 327 ASP B C 1 ATOM 5830 O O . ASP B 1 328 ? 6.415 41.542 19.881 1.00 21.91 ? 327 ASP B O 1 ATOM 5831 C CB . ASP B 1 328 ? 8.680 39.849 20.324 1.00 21.06 ? 327 ASP B CB 1 ATOM 5832 C CG . ASP B 1 328 ? 7.837 38.961 21.244 1.00 21.35 ? 327 ASP B CG 1 ATOM 5833 O OD1 . ASP B 1 328 ? 7.098 39.507 22.106 1.00 20.63 ? 327 ASP B OD1 1 ATOM 5834 O OD2 . ASP B 1 328 ? 7.903 37.706 21.088 1.00 21.53 ? 327 ASP B OD2 1 ATOM 5835 N N . GLY B 1 329 ? 6.923 42.723 21.737 1.00 21.45 ? 328 GLY B N 1 ATOM 5836 C CA . GLY B 1 329 ? 5.577 43.231 21.934 1.00 22.09 ? 328 GLY B CA 1 ATOM 5837 C C . GLY B 1 329 ? 4.840 42.535 23.056 1.00 22.62 ? 328 GLY B C 1 ATOM 5838 O O . GLY B 1 329 ? 3.962 43.125 23.659 1.00 23.27 ? 328 GLY B O 1 ATOM 5839 N N . THR B 1 330 ? 5.212 41.291 23.349 1.00 21.69 ? 329 THR B N 1 ATOM 5840 C CA . THR B 1 330 ? 4.570 40.468 24.382 1.00 22.60 ? 329 THR B CA 1 ATOM 5841 C C . THR B 1 330 ? 5.617 39.910 25.338 1.00 21.90 ? 329 THR B C 1 ATOM 5842 O O . THR B 1 330 ? 5.526 40.105 26.544 1.00 23.15 ? 329 THR B O 1 ATOM 5843 C CB . THR B 1 330 ? 3.784 39.317 23.720 1.00 23.98 ? 329 THR B CB 1 ATOM 5844 O OG1 . THR B 1 330 ? 2.755 39.866 22.887 1.00 25.07 ? 329 THR B OG1 1 ATOM 5845 C CG2 . THR B 1 330 ? 3.169 38.388 24.736 1.00 26.12 ? 329 THR B CG2 1 ATOM 5846 N N . VAL B 1 331 ? 6.613 39.221 24.800 1.00 20.48 ? 330 VAL B N 1 ATOM 5847 C CA . VAL B 1 331 ? 7.675 38.626 25.575 1.00 19.80 ? 330 VAL B CA 1 ATOM 5848 C C . VAL B 1 331 ? 8.803 39.626 25.793 1.00 20.28 ? 330 VAL B C 1 ATOM 5849 O O . VAL B 1 331 ? 9.388 40.142 24.850 1.00 19.89 ? 330 VAL B O 1 ATOM 5850 C CB . VAL B 1 331 ? 8.221 37.375 24.874 1.00 19.85 ? 330 VAL B CB 1 ATOM 5851 C CG1 . VAL B 1 331 ? 9.400 36.793 25.625 1.00 20.34 ? 330 VAL B CG1 1 ATOM 5852 C CG2 . VAL B 1 331 ? 7.106 36.350 24.722 1.00 20.00 ? 330 VAL B CG2 1 ATOM 5853 N N . ASN B 1 332 ? 9.086 39.892 27.057 1.00 20.41 ? 331 ASN B N 1 ATOM 5854 C CA . ASN B 1 332 ? 10.123 40.824 27.430 1.00 22.09 ? 331 ASN B CA 1 ATOM 5855 C C . ASN B 1 332 ? 11.463 40.229 27.049 1.00 23.83 ? 331 ASN B C 1 ATOM 5856 O O . ASN B 1 332 ? 11.664 39.004 27.157 1.00 22.77 ? 331 ASN B O 1 ATOM 5857 C CB . ASN B 1 332 ? 10.046 41.110 28.937 1.00 21.99 ? 331 ASN B CB 1 ATOM 5858 C CG . ASN B 1 332 ? 8.683 41.652 29.359 1.00 22.57 ? 331 ASN B CG 1 ATOM 5859 O OD1 . ASN B 1 332 ? 7.776 40.889 29.737 1.00 20.69 ? 331 ASN B OD1 1 ATOM 5860 N ND2 . ASN B 1 332 ? 8.536 42.968 29.314 1.00 22.42 ? 331 ASN B ND2 1 ATOM 5861 N N . LEU B 1 333 ? 12.373 41.082 26.589 1.00 25.02 ? 332 LEU B N 1 ATOM 5862 C CA . LEU B 1 333 ? 13.695 40.629 26.168 1.00 26.63 ? 332 LEU B CA 1 ATOM 5863 C C . LEU B 1 333 ? 14.417 39.785 27.229 1.00 28.31 ? 332 LEU B C 1 ATOM 5864 O O . LEU B 1 333 ? 15.074 38.794 26.894 1.00 29.56 ? 332 LEU B O 1 ATOM 5865 C CB . LEU B 1 333 ? 14.575 41.809 25.799 1.00 28.05 ? 332 LEU B CB 1 ATOM 5866 C CG . LEU B 1 333 ? 15.973 41.479 25.283 1.00 29.00 ? 332 LEU B CG 1 ATOM 5867 C CD1 . LEU B 1 333 ? 15.892 40.516 24.100 1.00 30.96 ? 332 LEU B CD1 1 ATOM 5868 C CD2 . LEU B 1 333 ? 16.689 42.759 24.906 1.00 30.63 ? 332 LEU B CD2 1 ATOM 5869 N N . LYS B 1 334 ? 14.267 40.132 28.495 1.00 28.35 ? 333 LYS B N 1 ATOM 5870 C CA . LYS B 1 334 ? 14.954 39.377 29.547 1.00 31.48 ? 333 LYS B CA 1 ATOM 5871 C C . LYS B 1 334 ? 14.551 37.888 29.620 1.00 27.67 ? 333 LYS B C 1 ATOM 5872 O O . LYS B 1 334 ? 15.320 37.083 30.056 1.00 26.55 ? 333 LYS B O 1 ATOM 5873 C CB . LYS B 1 334 ? 14.814 40.082 30.913 1.00 38.10 ? 333 LYS B CB 1 ATOM 5874 C CG . LYS B 1 334 ? 15.543 41.410 30.913 1.00 46.55 ? 333 LYS B CG 1 ATOM 5875 C CD . LYS B 1 334 ? 15.405 42.098 32.258 1.00 54.08 ? 333 LYS B CD 1 ATOM 5876 C CE . LYS B 1 334 ? 16.392 41.525 33.259 1.00 58.62 ? 333 LYS B CE 1 ATOM 5877 N NZ . LYS B 1 334 ? 15.729 41.420 34.581 1.00 63.32 ? 333 LYS B NZ 1 ATOM 5878 N N A SER B 1 335 ? 13.483 37.466 28.961 0.80 29.00 ? 334 SER B N 1 ATOM 5879 N N B SER B 1 335 ? 13.282 37.617 29.292 0.20 23.05 ? 334 SER B N 1 ATOM 5880 C CA A SER B 1 335 ? 13.339 35.990 28.699 0.80 28.00 ? 334 SER B CA 1 ATOM 5881 C CA B SER B 1 335 ? 12.578 36.416 29.662 0.20 20.01 ? 334 SER B CA 1 ATOM 5882 C C A SER B 1 335 ? 14.536 35.296 27.963 0.80 30.22 ? 334 SER B C 1 ATOM 5883 C C B SER B 1 335 ? 13.019 35.514 28.573 0.20 18.29 ? 334 SER B C 1 ATOM 5884 O O A SER B 1 335 ? 14.891 34.148 28.298 0.80 29.78 ? 334 SER B O 1 ATOM 5885 O O B SER B 1 335 ? 13.443 34.396 28.806 0.20 17.93 ? 334 SER B O 1 ATOM 5886 C CB A SER B 1 335 ? 12.031 35.703 27.991 0.80 28.05 ? 334 SER B CB 1 ATOM 5887 C CB B SER B 1 335 ? 11.049 36.629 29.562 0.20 18.80 ? 334 SER B CB 1 ATOM 5888 O OG A SER B 1 335 ? 10.930 35.973 28.868 0.80 28.21 ? 334 SER B OG 1 ATOM 5889 O OG B SER B 1 335 ? 10.293 35.499 29.990 0.20 17.56 ? 334 SER B OG 1 ATOM 5890 N N A ALA B 1 336 ? 15.159 35.959 26.982 0.80 28.27 ? 335 ALA B N 1 ATOM 5891 N N B ALA B 1 336 ? 12.950 36.076 27.372 0.20 17.02 ? 335 ALA B N 1 ATOM 5892 C CA A ALA B 1 336 ? 16.269 35.364 26.227 0.80 32.91 ? 335 ALA B CA 1 ATOM 5893 C CA B ALA B 1 336 ? 13.423 35.429 26.177 0.20 16.54 ? 335 ALA B CA 1 ATOM 5894 C C A ALA B 1 336 ? 17.500 35.015 27.075 0.80 33.59 ? 335 ALA B C 1 ATOM 5895 C C B ALA B 1 336 ? 14.865 34.980 26.382 0.20 16.48 ? 335 ALA B C 1 ATOM 5896 O O A ALA B 1 336 ? 18.268 34.141 26.704 0.80 35.19 ? 335 ALA B O 1 ATOM 5897 O O B ALA B 1 336 ? 15.240 33.904 25.933 0.20 15.70 ? 335 ALA B O 1 ATOM 5898 C CB A ALA B 1 336 ? 16.691 36.275 25.081 0.80 34.10 ? 335 ALA B CB 1 ATOM 5899 C CB B ALA B 1 336 ? 13.313 36.390 25.011 0.20 16.83 ? 335 ALA B CB 1 ATOM 5900 N N A LEU B 1 337 ? 17.685 35.678 28.206 0.80 34.68 ? 336 LEU B N 1 ATOM 5901 N N B LEU B 1 337 ? 15.654 35.764 27.117 0.20 16.59 ? 336 LEU B N 1 ATOM 5902 C CA A LEU B 1 337 ? 18.828 35.383 29.075 0.80 35.85 ? 336 LEU B CA 1 ATOM 5903 C CA B LEU B 1 337 ? 17.096 35.507 27.197 0.20 17.58 ? 336 LEU B CA 1 ATOM 5904 C C A LEU B 1 337 ? 18.721 33.960 29.605 0.80 34.57 ? 336 LEU B C 1 ATOM 5905 C C B LEU B 1 337 ? 17.531 34.457 28.236 0.20 17.92 ? 336 LEU B C 1 ATOM 5906 O O A LEU B 1 337 ? 19.738 33.354 29.949 0.80 33.75 ? 336 LEU B O 1 ATOM 5907 O O B LEU B 1 337 ? 18.728 34.286 28.467 0.20 18.11 ? 336 LEU B O 1 ATOM 5908 C CB A LEU B 1 337 ? 18.941 36.369 30.254 0.80 37.55 ? 336 LEU B CB 1 ATOM 5909 C CB B LEU B 1 337 ? 17.868 36.814 27.414 0.20 18.12 ? 336 LEU B CB 1 ATOM 5910 C CG A LEU B 1 337 ? 19.446 37.785 29.918 0.80 38.77 ? 336 LEU B CG 1 ATOM 5911 C CG B LEU B 1 337 ? 18.105 37.664 26.159 0.20 18.62 ? 336 LEU B CG 1 ATOM 5912 C CD1 A LEU B 1 337 ? 19.271 38.729 31.098 0.80 39.73 ? 336 LEU B CD1 1 ATOM 5913 C CD1 B LEU B 1 337 ? 18.830 38.960 26.505 0.20 19.24 ? 336 LEU B CD1 1 ATOM 5914 C CD2 A LEU B 1 337 ? 20.897 37.754 29.470 0.80 40.62 ? 336 LEU B CD2 1 ATOM 5915 C CD2 B LEU B 1 337 ? 18.883 36.880 25.112 0.20 19.08 ? 336 LEU B CD2 1 ATOM 5916 N N A GLN B 1 338 ? 17.493 33.441 29.704 0.80 33.15 ? 337 GLN B N 1 ATOM 5917 N N B GLN B 1 338 ? 16.581 33.742 28.841 0.20 17.89 ? 337 GLN B N 1 ATOM 5918 C CA A GLN B 1 338 ? 17.311 32.078 30.149 0.80 33.96 ? 337 GLN B CA 1 ATOM 5919 C CA B GLN B 1 338 ? 16.927 32.647 29.762 0.20 18.76 ? 337 GLN B CA 1 ATOM 5920 C C A GLN B 1 338 ? 17.951 31.116 29.166 0.80 32.83 ? 337 GLN B C 1 ATOM 5921 C C B GLN B 1 338 ? 17.734 31.523 29.089 0.20 19.91 ? 337 GLN B C 1 ATOM 5922 O O A GLN B 1 338 ? 18.722 30.259 29.575 0.80 34.36 ? 337 GLN B O 1 ATOM 5923 O O B GLN B 1 338 ? 18.401 30.764 29.784 0.20 20.08 ? 337 GLN B O 1 ATOM 5924 C CB A GLN B 1 338 ? 15.828 31.747 30.382 0.80 35.65 ? 337 GLN B CB 1 ATOM 5925 C CB B GLN B 1 338 ? 15.674 32.008 30.383 0.20 17.95 ? 337 GLN B CB 1 ATOM 5926 C CG A GLN B 1 338 ? 15.621 30.343 30.920 0.80 37.41 ? 337 GLN B CG 1 ATOM 5927 C CG B GLN B 1 338 ? 14.996 32.740 31.523 0.20 17.71 ? 337 GLN B CG 1 ATOM 5928 C CD A GLN B 1 338 ? 16.002 30.190 32.374 0.80 40.08 ? 337 GLN B CD 1 ATOM 5929 C CD B GLN B 1 338 ? 15.933 33.526 32.419 0.20 18.29 ? 337 GLN B CD 1 ATOM 5930 O OE1 A GLN B 1 338 ? 16.462 31.135 33.055 0.80 40.28 ? 337 GLN B OE1 1 ATOM 5931 O OE1 B GLN B 1 338 ? 16.635 32.962 33.260 0.20 18.32 ? 337 GLN B OE1 1 ATOM 5932 N NE2 A GLN B 1 338 ? 15.800 28.972 32.868 0.80 42.05 ? 337 GLN B NE2 1 ATOM 5933 N NE2 B GLN B 1 338 ? 15.900 34.846 32.280 0.20 18.26 ? 337 GLN B NE2 1 ATOM 5934 N N A CYS B 1 339 ? 17.677 31.231 27.866 0.80 32.25 ? 338 CYS B N 1 ATOM 5935 N N B CYS B 1 339 ? 17.632 31.401 27.759 0.20 21.45 ? 338 CYS B N 1 ATOM 5936 C CA A CYS B 1 339 ? 18.381 30.345 26.922 0.80 33.63 ? 338 CYS B CA 1 ATOM 5937 C CA B CYS B 1 339 ? 18.406 30.422 26.939 0.20 23.44 ? 338 CYS B CA 1 ATOM 5938 C C A CYS B 1 339 ? 19.888 30.553 26.987 0.80 30.93 ? 338 CYS B C 1 ATOM 5939 C C B CYS B 1 339 ? 19.891 30.558 27.049 0.20 26.51 ? 338 CYS B C 1 ATOM 5940 O O A CYS B 1 339 ? 20.634 29.592 26.878 0.80 30.58 ? 338 CYS B O 1 ATOM 5941 O O B CYS B 1 339 ? 20.629 29.588 26.883 0.20 27.05 ? 338 CYS B O 1 ATOM 5942 C CB A CYS B 1 339 ? 17.876 30.373 25.466 0.80 35.48 ? 338 CYS B CB 1 ATOM 5943 C CB B CYS B 1 339 ? 18.149 30.668 25.460 0.20 23.13 ? 338 CYS B CB 1 ATOM 5944 S SG A CYS B 1 339 ? 17.227 31.932 24.936 0.80 41.18 ? 338 CYS B SG 1 ATOM 5945 S SG B CYS B 1 339 ? 16.436 30.737 24.976 0.20 20.75 ? 338 CYS B SG 1 ATOM 5946 N N . GLN B 1 340 ? 20.342 31.786 27.231 1.00 30.91 ? 339 GLN B N 1 ATOM 5947 C CA . GLN B 1 340 ? 21.777 32.033 27.356 1.00 34.00 ? 339 GLN B CA 1 ATOM 5948 C C . GLN B 1 340 ? 22.356 31.265 28.545 1.00 32.92 ? 339 GLN B C 1 ATOM 5949 O O . GLN B 1 340 ? 23.442 30.696 28.454 1.00 35.99 ? 339 GLN B O 1 ATOM 5950 C CB . GLN B 1 340 ? 22.065 33.520 27.461 1.00 38.96 ? 339 GLN B CB 1 ATOM 5951 C CG . GLN B 1 340 ? 23.539 33.843 27.529 1.00 45.08 ? 339 GLN B CG 1 ATOM 5952 C CD . GLN B 1 340 ? 23.770 35.334 27.651 1.00 51.27 ? 339 GLN B CD 1 ATOM 5953 O OE1 . GLN B 1 340 ? 23.298 35.975 28.600 1.00 54.76 ? 339 GLN B OE1 1 ATOM 5954 N NE2 . GLN B 1 340 ? 24.497 35.899 26.695 1.00 56.44 ? 339 GLN B NE2 1 ATOM 5955 N N . ALA B 1 341 ? 21.620 31.220 29.649 1.00 31.45 ? 340 ALA B N 1 ATOM 5956 C CA . ALA B 1 341 ? 22.075 30.505 30.842 1.00 31.47 ? 340 ALA B CA 1 ATOM 5957 C C . ALA B 1 341 ? 22.211 28.995 30.577 1.00 31.63 ? 340 ALA B C 1 ATOM 5958 O O . ALA B 1 341 ? 23.057 28.335 31.170 1.00 30.00 ? 340 ALA B O 1 ATOM 5959 C CB . ALA B 1 341 ? 21.124 30.763 32.002 1.00 32.14 ? 340 ALA B CB 1 ATOM 5960 N N . TRP B 1 342 ? 21.367 28.451 29.697 1.00 28.47 ? 341 TRP B N 1 ATOM 5961 C CA . TRP B 1 342 ? 21.420 27.023 29.401 1.00 28.52 ? 341 TRP B CA 1 ATOM 5962 C C . TRP B 1 342 ? 22.674 26.592 28.627 1.00 31.25 ? 341 TRP B C 1 ATOM 5963 O O . TRP B 1 342 ? 23.080 25.448 28.720 1.00 31.11 ? 341 TRP B O 1 ATOM 5964 C CB . TRP B 1 342 ? 20.179 26.594 28.643 1.00 27.19 ? 341 TRP B CB 1 ATOM 5965 C CG . TRP B 1 342 ? 18.909 26.633 29.456 1.00 25.54 ? 341 TRP B CG 1 ATOM 5966 C CD1 . TRP B 1 342 ? 18.775 26.487 30.826 1.00 25.93 ? 341 TRP B CD1 1 ATOM 5967 C CD2 . TRP B 1 342 ? 17.588 26.792 28.942 1.00 24.53 ? 341 TRP B CD2 1 ATOM 5968 N NE1 . TRP B 1 342 ? 17.428 26.555 31.170 1.00 25.25 ? 341 TRP B NE1 1 ATOM 5969 C CE2 . TRP B 1 342 ? 16.693 26.746 30.033 1.00 23.43 ? 341 TRP B CE2 1 ATOM 5970 C CE3 . TRP B 1 342 ? 17.076 26.973 27.662 1.00 24.93 ? 341 TRP B CE3 1 ATOM 5971 C CZ2 . TRP B 1 342 ? 15.324 26.899 29.874 1.00 23.63 ? 341 TRP B CZ2 1 ATOM 5972 C CZ3 . TRP B 1 342 ? 15.710 27.119 27.510 1.00 24.29 ? 341 TRP B CZ3 1 ATOM 5973 C CH2 . TRP B 1 342 ? 14.857 27.076 28.607 1.00 23.83 ? 341 TRP B CH2 1 ATOM 5974 N N . GLN B 1 343 ? 23.296 27.505 27.897 1.00 35.81 ? 342 GLN B N 1 ATOM 5975 C CA . GLN B 1 343 ? 24.526 27.190 27.158 1.00 41.30 ? 342 GLN B CA 1 ATOM 5976 C C . GLN B 1 343 ? 25.594 26.491 28.011 1.00 42.83 ? 342 GLN B C 1 ATOM 5977 O O . GLN B 1 343 ? 26.257 25.572 27.543 1.00 43.47 ? 342 GLN B O 1 ATOM 5978 C CB . GLN B 1 343 ? 25.138 28.454 26.566 1.00 46.07 ? 342 GLN B CB 1 ATOM 5979 C CG . GLN B 1 343 ? 24.302 29.113 25.483 1.00 49.72 ? 342 GLN B CG 1 ATOM 5980 C CD . GLN B 1 343 ? 25.044 30.264 24.815 1.00 55.01 ? 342 GLN B CD 1 ATOM 5981 O OE1 . GLN B 1 343 ? 25.509 31.186 25.481 1.00 56.84 ? 342 GLN B OE1 1 ATOM 5982 N NE2 . GLN B 1 343 ? 25.154 30.213 23.490 1.00 56.52 ? 342 GLN B NE2 1 ATOM 5983 N N . SER B 1 344 ? 25.772 26.929 29.254 1.00 42.65 ? 343 SER B N 1 ATOM 5984 C CA . SER B 1 344 ? 26.814 26.359 30.093 1.00 46.22 ? 343 SER B CA 1 ATOM 5985 C C . SER B 1 344 ? 26.326 25.172 30.924 1.00 45.55 ? 343 SER B C 1 ATOM 5986 O O . SER B 1 344 ? 27.128 24.536 31.598 1.00 45.89 ? 343 SER B O 1 ATOM 5987 C CB . SER B 1 344 ? 27.423 27.433 30.995 1.00 48.70 ? 343 SER B CB 1 ATOM 5988 O OG . SER B 1 344 ? 26.478 27.887 31.943 1.00 49.64 ? 343 SER B OG 1 ATOM 5989 N N . ARG B 1 345 ? 25.036 24.849 30.847 1.00 40.22 ? 344 ARG B N 1 ATOM 5990 C CA . ARG B 1 345 ? 24.460 23.771 31.646 1.00 41.40 ? 344 ARG B CA 1 ATOM 5991 C C . ARG B 1 345 ? 24.145 22.483 30.871 1.00 39.50 ? 344 ARG B C 1 ATOM 5992 O O . ARG B 1 345 ? 23.689 21.505 31.460 1.00 39.48 ? 344 ARG B O 1 ATOM 5993 C CB . ARG B 1 345 ? 23.181 24.270 32.316 1.00 42.66 ? 344 ARG B CB 1 ATOM 5994 C CG . ARG B 1 345 ? 23.432 25.313 33.391 1.00 45.47 ? 344 ARG B CG 1 ATOM 5995 C CD . ARG B 1 345 ? 22.118 25.842 33.932 1.00 47.88 ? 344 ARG B CD 1 ATOM 5996 N NE . ARG B 1 345 ? 22.310 27.108 34.638 1.00 52.05 ? 344 ARG B NE 1 ATOM 5997 C CZ . ARG B 1 345 ? 21.389 28.062 34.767 1.00 53.71 ? 344 ARG B CZ 1 ATOM 5998 N NH1 . ARG B 1 345 ? 20.168 27.927 34.237 1.00 51.48 ? 344 ARG B NH1 1 ATOM 5999 N NH2 . ARG B 1 345 ? 21.701 29.175 35.429 1.00 56.07 ? 344 ARG B NH2 1 ATOM 6000 N N . GLN B 1 346 ? 24.297 22.493 29.553 1.00 37.39 ? 345 GLN B N 1 ATOM 6001 C CA . GLN B 1 346 ? 24.047 21.281 28.771 1.00 34.83 ? 345 GLN B CA 1 ATOM 6002 C C . GLN B 1 346 ? 25.153 21.136 27.748 1.00 35.07 ? 345 GLN B C 1 ATOM 6003 O O . GLN B 1 346 ? 25.762 22.137 27.359 1.00 32.92 ? 345 GLN B O 1 ATOM 6004 C CB . GLN B 1 346 ? 22.634 21.277 28.130 1.00 33.37 ? 345 GLN B CB 1 ATOM 6005 C CG . GLN B 1 346 ? 22.344 22.374 27.121 1.00 31.90 ? 345 GLN B CG 1 ATOM 6006 C CD . GLN B 1 346 ? 21.075 22.132 26.328 1.00 30.71 ? 345 GLN B CD 1 ATOM 6007 O OE1 . GLN B 1 346 ? 20.000 21.910 26.885 1.00 30.67 ? 345 GLN B OE1 1 ATOM 6008 N NE2 . GLN B 1 346 ? 21.182 22.220 25.006 1.00 31.03 ? 345 GLN B NE2 1 ATOM 6009 N N . GLU B 1 347 ? 25.402 19.897 27.332 1.00 35.71 ? 346 GLU B N 1 ATOM 6010 C CA . GLU B 1 347 ? 26.369 19.603 26.270 1.00 38.97 ? 346 GLU B CA 1 ATOM 6011 C C . GLU B 1 347 ? 25.852 19.897 24.868 1.00 35.99 ? 346 GLU B C 1 ATOM 6012 O O . GLU B 1 347 ? 26.610 20.319 24.002 1.00 35.88 ? 346 GLU B O 1 ATOM 6013 C CB . GLU B 1 347 ? 26.872 18.162 26.303 1.00 45.06 ? 346 GLU B CB 1 ATOM 6014 C CG . GLU B 1 347 ? 27.772 17.865 27.486 1.00 53.41 ? 346 GLU B CG 1 ATOM 6015 C CD . GLU B 1 347 ? 28.199 16.402 27.561 1.00 59.89 ? 346 GLU B CD 1 ATOM 6016 O OE1 . GLU B 1 347 ? 27.485 15.520 27.017 1.00 66.53 ? 346 GLU B OE1 1 ATOM 6017 O OE2 . GLU B 1 347 ? 29.252 16.136 28.177 1.00 65.35 ? 346 GLU B OE2 1 ATOM 6018 N N . HIS B 1 348 ? 24.574 19.645 24.616 1.00 32.81 ? 347 HIS B N 1 ATOM 6019 C CA A HIS B 1 348 ? 23.986 19.981 23.319 0.70 31.98 ? 347 HIS B CA 1 ATOM 6020 C CA B HIS B 1 348 ? 23.988 19.986 23.321 0.30 31.60 ? 347 HIS B CA 1 ATOM 6021 C C . HIS B 1 348 ? 24.057 21.486 23.073 1.00 30.44 ? 347 HIS B C 1 ATOM 6022 O O . HIS B 1 348 ? 23.948 22.278 24.004 1.00 29.18 ? 347 HIS B O 1 ATOM 6023 C CB A HIS B 1 348 ? 22.523 19.530 23.230 0.70 31.25 ? 347 HIS B CB 1 ATOM 6024 C CB B HIS B 1 348 ? 22.542 19.494 23.225 0.30 30.60 ? 347 HIS B CB 1 ATOM 6025 C CG A HIS B 1 348 ? 22.358 18.060 23.038 0.70 32.66 ? 347 HIS B CG 1 ATOM 6026 C CG B HIS B 1 348 ? 22.450 18.014 22.984 0.30 31.13 ? 347 HIS B CG 1 ATOM 6027 N ND1 A HIS B 1 348 ? 22.467 17.170 24.079 0.70 33.66 ? 347 HIS B ND1 1 ATOM 6028 N ND1 B HIS B 1 348 ? 22.661 17.452 21.742 0.30 31.90 ? 347 HIS B ND1 1 ATOM 6029 C CD2 A HIS B 1 348 ? 22.081 17.322 21.936 0.70 34.18 ? 347 HIS B CD2 1 ATOM 6030 C CD2 B HIS B 1 348 ? 22.227 16.979 23.830 0.30 31.41 ? 347 HIS B CD2 1 ATOM 6031 C CE1 A HIS B 1 348 ? 22.276 15.942 23.632 0.70 34.85 ? 347 HIS B CE1 1 ATOM 6032 C CE1 B HIS B 1 348 ? 22.547 16.138 21.827 0.30 31.91 ? 347 HIS B CE1 1 ATOM 6033 N NE2 A HIS B 1 348 ? 22.042 16.006 22.333 0.70 35.17 ? 347 HIS B NE2 1 ATOM 6034 N NE2 B HIS B 1 348 ? 22.282 15.824 23.083 0.30 32.08 ? 347 HIS B NE2 1 ATOM 6035 N N . GLN B 1 349 ? 24.211 21.861 21.810 1.00 30.41 ? 348 GLN B N 1 ATOM 6036 C CA . GLN B 1 349 ? 24.337 23.269 21.448 1.00 32.97 ? 348 GLN B CA 1 ATOM 6037 C C . GLN B 1 349 ? 23.068 24.057 21.722 1.00 28.76 ? 348 GLN B C 1 ATOM 6038 O O . GLN B 1 349 ? 21.955 23.547 21.541 1.00 27.08 ? 348 GLN B O 1 ATOM 6039 C CB . GLN B 1 349 ? 24.641 23.441 19.965 1.00 35.42 ? 348 GLN B CB 1 ATOM 6040 C CG . GLN B 1 349 ? 25.917 22.830 19.468 1.00 42.49 ? 348 GLN B CG 1 ATOM 6041 C CD . GLN B 1 349 ? 26.049 23.075 17.978 1.00 47.18 ? 348 GLN B CD 1 ATOM 6042 O OE1 . GLN B 1 349 ? 26.201 24.220 17.542 1.00 52.33 ? 348 GLN B OE1 1 ATOM 6043 N NE2 . GLN B 1 349 ? 25.927 22.017 17.190 1.00 49.83 ? 348 GLN B NE2 1 ATOM 6044 N N . VAL B 1 350 ? 23.254 25.305 22.135 1.00 27.59 ? 349 VAL B N 1 ATOM 6045 C CA . VAL B 1 350 ? 22.179 26.280 22.245 1.00 27.10 ? 349 VAL B CA 1 ATOM 6046 C C . VAL B 1 350 ? 22.548 27.427 21.308 1.00 28.44 ? 349 VAL B C 1 ATOM 6047 O O . VAL B 1 350 ? 23.578 28.070 21.509 1.00 27.93 ? 349 VAL B O 1 ATOM 6048 C CB . VAL B 1 350 ? 22.010 26.797 23.690 1.00 27.40 ? 349 VAL B CB 1 ATOM 6049 C CG1 . VAL B 1 350 ? 20.926 27.882 23.772 1.00 26.18 ? 349 VAL B CG1 1 ATOM 6050 C CG2 . VAL B 1 350 ? 21.703 25.654 24.663 1.00 27.05 ? 349 VAL B CG2 1 ATOM 6051 N N A LEU B 1 351 ? 21.730 27.661 20.282 0.50 28.12 ? 350 LEU B N 1 ATOM 6052 N N B LEU B 1 351 ? 21.729 27.661 20.285 0.50 27.56 ? 350 LEU B N 1 ATOM 6053 C CA A LEU B 1 351 ? 21.964 28.760 19.339 0.50 29.91 ? 350 LEU B CA 1 ATOM 6054 C CA B LEU B 1 351 ? 21.965 28.752 19.340 0.50 28.93 ? 350 LEU B CA 1 ATOM 6055 C C A LEU B 1 351 ? 20.939 29.848 19.609 0.50 29.55 ? 350 LEU B C 1 ATOM 6056 C C B LEU B 1 351 ? 20.939 29.847 19.605 0.50 28.99 ? 350 LEU B C 1 ATOM 6057 O O A LEU B 1 351 ? 19.739 29.576 19.644 0.50 28.50 ? 350 LEU B O 1 ATOM 6058 O O B LEU B 1 351 ? 19.740 29.577 19.644 0.50 27.97 ? 350 LEU B O 1 ATOM 6059 C CB A LEU B 1 351 ? 21.825 28.295 17.890 0.50 31.14 ? 350 LEU B CB 1 ATOM 6060 C CB B LEU B 1 351 ? 21.840 28.256 17.901 0.50 29.47 ? 350 LEU B CB 1 ATOM 6061 C CG A LEU B 1 351 ? 22.697 27.135 17.410 0.50 33.24 ? 350 LEU B CG 1 ATOM 6062 C CG B LEU B 1 351 ? 22.728 27.055 17.489 0.50 30.76 ? 350 LEU B CG 1 ATOM 6063 C CD1 A LEU B 1 351 ? 24.136 27.311 17.862 0.50 34.58 ? 350 LEU B CD1 1 ATOM 6064 C CD1 B LEU B 1 351 ? 22.069 25.734 17.868 0.50 31.48 ? 350 LEU B CD1 1 ATOM 6065 C CD2 A LEU B 1 351 ? 22.085 25.849 17.938 0.50 34.02 ? 350 LEU B CD2 1 ATOM 6066 C CD2 B LEU B 1 351 ? 23.026 27.043 16.005 0.50 30.59 ? 350 LEU B CD2 1 ATOM 6067 N N . LEU B 1 352 ? 21.408 31.074 19.799 1.00 29.28 ? 351 LEU B N 1 ATOM 6068 C CA . LEU B 1 352 ? 20.523 32.214 19.997 1.00 30.12 ? 351 LEU B CA 1 ATOM 6069 C C . LEU B 1 352 ? 20.392 32.976 18.698 1.00 30.66 ? 351 LEU B C 1 ATOM 6070 O O . LEU B 1 352 ? 21.385 33.198 18.018 1.00 32.84 ? 351 LEU B O 1 ATOM 6071 C CB . LEU B 1 352 ? 21.045 33.122 21.104 1.00 32.16 ? 351 LEU B CB 1 ATOM 6072 C CG . LEU B 1 352 ? 20.405 32.833 22.469 1.00 34.06 ? 351 LEU B CG 1 ATOM 6073 C CD1 . LEU B 1 352 ? 20.905 31.518 23.039 1.00 35.60 ? 351 LEU B CD1 1 ATOM 6074 C CD2 . LEU B 1 352 ? 20.684 33.972 23.437 1.00 36.26 ? 351 LEU B CD2 1 ATOM 6075 N N . GLN B 1 353 ? 19.170 33.323 18.317 1.00 27.48 ? 352 GLN B N 1 ATOM 6076 C CA . GLN B 1 353 ? 18.956 34.091 17.108 1.00 27.47 ? 352 GLN B CA 1 ATOM 6077 C C . GLN B 1 353 ? 18.009 35.255 17.368 1.00 26.67 ? 352 GLN B C 1 ATOM 6078 O O . GLN B 1 353 ? 16.802 35.060 17.532 1.00 24.69 ? 352 GLN B O 1 ATOM 6079 C CB . GLN B 1 353 ? 18.418 33.214 15.974 1.00 27.79 ? 352 GLN B CB 1 ATOM 6080 C CG . GLN B 1 353 ? 18.141 33.991 14.685 1.00 29.32 ? 352 GLN B CG 1 ATOM 6081 C CD . GLN B 1 353 ? 19.408 34.569 14.115 1.00 31.12 ? 352 GLN B CD 1 ATOM 6082 O OE1 . GLN B 1 353 ? 20.291 33.824 13.719 1.00 33.99 ? 352 GLN B OE1 1 ATOM 6083 N NE2 . GLN B 1 353 ? 19.525 35.890 14.098 1.00 32.07 ? 352 GLN B NE2 1 ATOM 6084 N N . GLU B 1 354 ? 18.570 36.455 17.374 1.00 26.87 ? 353 GLU B N 1 ATOM 6085 C CA . GLU B 1 354 ? 17.792 37.668 17.458 1.00 27.91 ? 353 GLU B CA 1 ATOM 6086 C C . GLU B 1 354 ? 17.032 37.936 16.149 1.00 27.33 ? 353 GLU B C 1 ATOM 6087 O O . GLU B 1 354 ? 17.570 37.733 15.051 1.00 27.75 ? 353 GLU B O 1 ATOM 6088 C CB . GLU B 1 354 ? 18.708 38.849 17.780 1.00 29.90 ? 353 GLU B CB 1 ATOM 6089 C CG . GLU B 1 354 ? 17.947 40.090 18.181 1.00 31.46 ? 353 GLU B CG 1 ATOM 6090 C CD . GLU B 1 354 ? 18.821 41.320 18.309 1.00 34.56 ? 353 GLU B CD 1 ATOM 6091 O OE1 . GLU B 1 354 ? 20.051 41.195 18.171 1.00 37.84 ? 353 GLU B OE1 1 ATOM 6092 O OE2 . GLU B 1 354 ? 18.264 42.421 18.507 1.00 34.86 ? 353 GLU B OE2 1 ATOM 6093 N N . LEU B 1 355 ? 15.793 38.389 16.288 1.00 25.71 ? 354 LEU B N 1 ATOM 6094 C CA . LEU B 1 355 ? 14.938 38.782 15.168 1.00 26.57 ? 354 LEU B CA 1 ATOM 6095 C C . LEU B 1 355 ? 14.526 40.242 15.362 1.00 27.25 ? 354 LEU B C 1 ATOM 6096 O O . LEU B 1 355 ? 13.455 40.517 15.922 1.00 26.02 ? 354 LEU B O 1 ATOM 6097 C CB . LEU B 1 355 ? 13.695 37.886 15.098 1.00 26.26 ? 354 LEU B CB 1 ATOM 6098 C CG . LEU B 1 355 ? 13.973 36.367 15.013 1.00 26.85 ? 354 LEU B CG 1 ATOM 6099 C CD1 . LEU B 1 355 ? 12.678 35.578 15.171 1.00 26.99 ? 354 LEU B CD1 1 ATOM 6100 C CD2 . LEU B 1 355 ? 14.683 36.014 13.724 1.00 27.74 ? 354 LEU B CD2 1 ATOM 6101 N N . PRO B 1 356 ? 15.388 41.180 14.946 1.00 28.98 ? 355 PRO B N 1 ATOM 6102 C CA . PRO B 1 356 ? 15.078 42.581 15.218 1.00 30.27 ? 355 PRO B CA 1 ATOM 6103 C C . PRO B 1 356 ? 13.873 43.043 14.405 1.00 30.03 ? 355 PRO B C 1 ATOM 6104 O O . PRO B 1 356 ? 13.802 42.795 13.213 1.00 30.10 ? 355 PRO B O 1 ATOM 6105 C CB . PRO B 1 356 ? 16.352 43.341 14.828 1.00 31.79 ? 355 PRO B CB 1 ATOM 6106 C CG . PRO B 1 356 ? 17.331 42.328 14.374 1.00 32.34 ? 355 PRO B CG 1 ATOM 6107 C CD . PRO B 1 356 ? 16.648 41.007 14.208 1.00 30.86 ? 355 PRO B CD 1 ATOM 6108 N N . GLY B 1 357 ? 12.928 43.664 15.088 1.00 30.14 ? 356 GLY B N 1 ATOM 6109 C CA . GLY B 1 357 ? 11.717 44.171 14.475 1.00 31.21 ? 356 GLY B CA 1 ATOM 6110 C C . GLY B 1 357 ? 10.646 43.117 14.271 1.00 30.75 ? 356 GLY B C 1 ATOM 6111 O O . GLY B 1 357 ? 9.669 43.372 13.581 1.00 32.57 ? 356 GLY B O 1 ATOM 6112 N N . SER B 1 358 ? 10.818 41.924 14.837 1.00 29.23 ? 357 SER B N 1 ATOM 6113 C CA . SER B 1 358 ? 9.855 40.849 14.613 1.00 28.75 ? 357 SER B CA 1 ATOM 6114 C C . SER B 1 358 ? 8.859 40.755 15.779 1.00 27.21 ? 357 SER B C 1 ATOM 6115 O O . SER B 1 358 ? 9.226 40.432 16.900 1.00 26.00 ? 357 SER B O 1 ATOM 6116 C CB . SER B 1 358 ? 10.587 39.523 14.401 1.00 29.58 ? 357 SER B CB 1 ATOM 6117 O OG . SER B 1 358 ? 9.693 38.492 14.033 1.00 31.68 ? 357 SER B OG 1 ATOM 6118 N N . GLU B 1 359 ? 7.595 41.046 15.498 1.00 26.53 ? 358 GLU B N 1 ATOM 6119 C CA . GLU B 1 359 ? 6.554 41.020 16.518 1.00 26.53 ? 358 GLU B CA 1 ATOM 6120 C C . GLU B 1 359 ? 6.125 39.579 16.863 1.00 24.88 ? 358 GLU B C 1 ATOM 6121 O O . GLU B 1 359 ? 6.229 38.652 16.044 1.00 24.52 ? 358 GLU B O 1 ATOM 6122 C CB . GLU B 1 359 ? 5.369 41.894 16.079 1.00 28.71 ? 358 GLU B CB 1 ATOM 6123 C CG . GLU B 1 359 ? 4.252 42.088 17.092 1.00 30.73 ? 358 GLU B CG 1 ATOM 6124 C CD . GLU B 1 359 ? 3.235 40.952 17.093 1.00 32.65 ? 358 GLU B CD 1 ATOM 6125 O OE1 . GLU B 1 359 ? 3.046 40.311 16.030 1.00 34.35 ? 358 GLU B OE1 1 ATOM 6126 O OE2 . GLU B 1 359 ? 2.616 40.702 18.162 1.00 32.96 ? 358 GLU B OE2 1 ATOM 6127 N N . HIS B 1 360 ? 5.638 39.424 18.089 1.00 23.21 ? 359 HIS B N 1 ATOM 6128 C CA . HIS B 1 360 ? 5.363 38.133 18.688 1.00 22.69 ? 359 HIS B CA 1 ATOM 6129 C C . HIS B 1 360 ? 4.577 37.154 17.801 1.00 23.07 ? 359 HIS B C 1 ATOM 6130 O O . HIS B 1 360 ? 4.940 35.986 17.700 1.00 23.15 ? 359 HIS B O 1 ATOM 6131 C CB . HIS B 1 360 ? 4.597 38.340 19.998 1.00 22.26 ? 359 HIS B CB 1 ATOM 6132 C CG . HIS B 1 360 ? 4.443 37.086 20.802 1.00 21.21 ? 359 HIS B CG 1 ATOM 6133 N ND1 . HIS B 1 360 ? 5.521 36.420 21.338 1.00 21.80 ? 359 HIS B ND1 1 ATOM 6134 C CD2 . HIS B 1 360 ? 3.345 36.381 21.169 1.00 21.35 ? 359 HIS B CD2 1 ATOM 6135 C CE1 . HIS B 1 360 ? 5.103 35.360 22.009 1.00 20.82 ? 359 HIS B CE1 1 ATOM 6136 N NE2 . HIS B 1 360 ? 3.787 35.315 21.925 1.00 21.41 ? 359 HIS B NE2 1 ATOM 6137 N N . ILE B 1 361 ? 3.478 37.608 17.226 1.00 24.16 ? 360 ILE B N 1 ATOM 6138 C CA . ILE B 1 361 ? 2.662 36.752 16.377 1.00 27.71 ? 360 ILE B CA 1 ATOM 6139 C C . ILE B 1 361 ? 3.156 36.759 14.932 1.00 27.91 ? 360 ILE B C 1 ATOM 6140 O O . ILE B 1 361 ? 3.190 35.715 14.287 1.00 27.76 ? 360 ILE B O 1 ATOM 6141 C CB . ILE B 1 361 ? 1.192 37.181 16.411 1.00 31.54 ? 360 ILE B CB 1 ATOM 6142 C CG1 . ILE B 1 361 ? 0.632 37.011 17.820 1.00 34.17 ? 360 ILE B CG1 1 ATOM 6143 C CG2 . ILE B 1 361 ? 0.386 36.342 15.432 1.00 34.01 ? 360 ILE B CG2 1 ATOM 6144 C CD1 . ILE B 1 361 ? -0.744 37.622 18.006 1.00 37.83 ? 360 ILE B CD1 1 ATOM 6145 N N . GLU B 1 362 ? 3.563 37.926 14.442 1.00 27.92 ? 361 GLU B N 1 ATOM 6146 C CA . GLU B 1 362 ? 3.997 38.041 13.060 1.00 30.74 ? 361 GLU B CA 1 ATOM 6147 C C . GLU B 1 362 ? 5.223 37.180 12.766 1.00 29.04 ? 361 GLU B C 1 ATOM 6148 O O . GLU B 1 362 ? 5.413 36.757 11.623 1.00 27.83 ? 361 GLU B O 1 ATOM 6149 C CB . GLU B 1 362 ? 4.264 39.490 12.694 1.00 34.59 ? 361 GLU B CB 1 ATOM 6150 C CG . GLU B 1 362 ? 2.985 40.305 12.639 1.00 41.24 ? 361 GLU B CG 1 ATOM 6151 C CD . GLU B 1 362 ? 3.211 41.792 12.415 1.00 47.24 ? 361 GLU B CD 1 ATOM 6152 O OE1 . GLU B 1 362 ? 4.355 42.219 12.157 1.00 52.80 ? 361 GLU B OE1 1 ATOM 6153 O OE2 . GLU B 1 362 ? 2.219 42.546 12.502 1.00 56.32 ? 361 GLU B OE2 1 ATOM 6154 N N . MET B 1 363 ? 6.009 36.853 13.788 1.00 27.04 ? 362 MET B N 1 ATOM 6155 C CA . MET B 1 363 ? 7.190 36.025 13.565 1.00 27.25 ? 362 MET B CA 1 ATOM 6156 C C . MET B 1 363 ? 6.857 34.659 12.946 1.00 25.92 ? 362 MET B C 1 ATOM 6157 O O . MET B 1 363 ? 7.694 34.078 12.271 1.00 24.42 ? 362 MET B O 1 ATOM 6158 C CB . MET B 1 363 ? 8.039 35.857 14.830 1.00 29.09 ? 362 MET B CB 1 ATOM 6159 C CG . MET B 1 363 ? 7.563 34.910 15.910 1.00 31.09 ? 362 MET B CG 1 ATOM 6160 S SD . MET B 1 363 ? 8.871 34.594 17.144 1.00 34.88 ? 362 MET B SD 1 ATOM 6161 C CE . MET B 1 363 ? 9.198 36.249 17.795 1.00 34.93 ? 362 MET B CE 1 ATOM 6162 N N . LEU B 1 364 ? 5.645 34.161 13.175 1.00 25.12 ? 363 LEU B N 1 ATOM 6163 C CA . LEU B 1 364 ? 5.219 32.857 12.632 1.00 27.12 ? 363 LEU B CA 1 ATOM 6164 C C . LEU B 1 364 ? 4.984 32.816 11.123 1.00 27.86 ? 363 LEU B C 1 ATOM 6165 O O . LEU B 1 364 ? 4.976 31.728 10.558 1.00 28.50 ? 363 LEU B O 1 ATOM 6166 C CB . LEU B 1 364 ? 3.930 32.392 13.315 1.00 28.69 ? 363 LEU B CB 1 ATOM 6167 C CG . LEU B 1 364 ? 4.037 31.732 14.681 1.00 29.95 ? 363 LEU B CG 1 ATOM 6168 C CD1 . LEU B 1 364 ? 2.652 31.194 15.035 1.00 32.48 ? 363 LEU B CD1 1 ATOM 6169 C CD2 . LEU B 1 364 ? 5.027 30.572 14.697 1.00 29.41 ? 363 LEU B CD2 1 ATOM 6170 N N . ALA B 1 365 ? 4.788 33.977 10.503 1.00 26.41 ? 364 ALA B N 1 ATOM 6171 C CA . ALA B 1 365 ? 4.565 34.105 9.083 1.00 29.37 ? 364 ALA B CA 1 ATOM 6172 C C . ALA B 1 365 ? 5.674 34.899 8.411 1.00 29.57 ? 364 ALA B C 1 ATOM 6173 O O . ALA B 1 365 ? 5.576 35.235 7.252 1.00 31.69 ? 364 ALA B O 1 ATOM 6174 C CB . ALA B 1 365 ? 3.215 34.755 8.818 1.00 29.25 ? 364 ALA B CB 1 ATOM 6175 N N . ASN B 1 366 ? 6.750 35.149 9.128 1.00 28.56 ? 365 ASN B N 1 ATOM 6176 C CA . ASN B 1 366 ? 7.815 36.019 8.643 1.00 29.00 ? 365 ASN B CA 1 ATOM 6177 C C . ASN B 1 366 ? 8.839 35.206 7.850 1.00 28.97 ? 365 ASN B C 1 ATOM 6178 O O . ASN B 1 366 ? 9.275 34.138 8.303 1.00 26.90 ? 365 ASN B O 1 ATOM 6179 C CB . ASN B 1 366 ? 8.423 36.722 9.860 1.00 30.14 ? 365 ASN B CB 1 ATOM 6180 C CG . ASN B 1 366 ? 9.558 37.657 9.515 1.00 33.13 ? 365 ASN B CG 1 ATOM 6181 O OD1 . ASN B 1 366 ? 10.547 37.248 8.908 1.00 33.71 ? 365 ASN B OD1 1 ATOM 6182 N ND2 . ASN B 1 366 ? 9.432 38.927 9.916 1.00 32.31 ? 365 ASN B ND2 1 ATOM 6183 N N . ALA B 1 367 ? 9.219 35.718 6.674 1.00 28.73 ? 366 ALA B N 1 ATOM 6184 C CA . ALA B 1 367 ? 10.108 35.024 5.746 1.00 29.97 ? 366 ALA B CA 1 ATOM 6185 C C . ALA B 1 367 ? 11.476 34.703 6.338 1.00 28.82 ? 366 ALA B C 1 ATOM 6186 O O . ALA B 1 367 ? 12.053 33.669 6.026 1.00 27.38 ? 366 ALA B O 1 ATOM 6187 C CB . ALA B 1 367 ? 10.264 35.825 4.465 1.00 32.04 ? 366 ALA B CB 1 ATOM 6188 N N . THR B 1 368 ? 11.981 35.567 7.212 1.00 28.66 ? 367 THR B N 1 ATOM 6189 C CA A THR B 1 368 ? 13.256 35.301 7.897 0.50 28.80 ? 367 THR B CA 1 ATOM 6190 C CA B THR B 1 368 ? 13.248 35.305 7.893 0.50 28.65 ? 367 THR B CA 1 ATOM 6191 C C . THR B 1 368 ? 13.144 34.145 8.893 1.00 26.49 ? 367 THR B C 1 ATOM 6192 O O . THR B 1 368 ? 14.036 33.311 8.984 1.00 25.23 ? 367 THR B O 1 ATOM 6193 C CB A THR B 1 368 ? 13.833 36.551 8.601 0.50 29.89 ? 367 THR B CB 1 ATOM 6194 C CB B THR B 1 368 ? 13.740 36.586 8.583 0.50 29.53 ? 367 THR B CB 1 ATOM 6195 O OG1 A THR B 1 368 ? 12.896 37.069 9.557 0.50 29.87 ? 367 THR B OG1 1 ATOM 6196 O OG1 B THR B 1 368 ? 13.855 37.605 7.589 0.50 30.96 ? 367 THR B OG1 1 ATOM 6197 C CG2 A THR B 1 368 ? 14.175 37.600 7.561 0.50 31.32 ? 367 THR B CG2 1 ATOM 6198 C CG2 B THR B 1 368 ? 15.084 36.376 9.279 0.50 29.75 ? 367 THR B CG2 1 ATOM 6199 N N . THR B 1 369 ? 12.042 34.077 9.619 1.00 25.75 ? 368 THR B N 1 ATOM 6200 C CA . THR B 1 369 ? 11.801 32.961 10.528 1.00 24.83 ? 368 THR B CA 1 ATOM 6201 C C . THR B 1 369 ? 11.753 31.660 9.731 1.00 24.09 ? 368 THR B C 1 ATOM 6202 O O . THR B 1 369 ? 12.319 30.633 10.136 1.00 22.62 ? 368 THR B O 1 ATOM 6203 C CB . THR B 1 369 ? 10.465 33.090 11.281 1.00 24.41 ? 368 THR B CB 1 ATOM 6204 O OG1 . THR B 1 369 ? 10.404 34.331 11.977 1.00 25.03 ? 368 THR B OG1 1 ATOM 6205 C CG2 . THR B 1 369 ? 10.284 31.948 12.272 1.00 24.28 ? 368 THR B CG2 1 ATOM 6206 N N . LEU B 1 370 ? 11.017 31.694 8.624 1.00 24.00 ? 369 LEU B N 1 ATOM 6207 C CA . LEU B 1 370 ? 10.799 30.488 7.827 1.00 23.98 ? 369 LEU B CA 1 ATOM 6208 C C . LEU B 1 370 ? 12.096 30.059 7.154 1.00 25.20 ? 369 LEU B C 1 ATOM 6209 O O . LEU B 1 370 ? 12.358 28.858 7.041 1.00 24.36 ? 369 LEU B O 1 ATOM 6210 C CB . LEU B 1 370 ? 9.678 30.724 6.809 1.00 25.66 ? 369 LEU B CB 1 ATOM 6211 C CG . LEU B 1 370 ? 8.315 31.007 7.451 1.00 26.28 ? 369 LEU B CG 1 ATOM 6212 C CD1 . LEU B 1 370 ? 7.281 31.466 6.423 1.00 28.51 ? 369 LEU B CD1 1 ATOM 6213 C CD2 . LEU B 1 370 ? 7.823 29.806 8.207 1.00 26.35 ? 369 LEU B CD2 1 ATOM 6214 N N . ALA B 1 371 ? 12.924 31.017 6.724 1.00 24.90 ? 370 ALA B N 1 ATOM 6215 C CA . ALA B 1 371 ? 14.230 30.697 6.163 1.00 26.23 ? 370 ALA B CA 1 ATOM 6216 C C . ALA B 1 371 ? 15.121 30.018 7.189 1.00 26.12 ? 370 ALA B C 1 ATOM 6217 O O . ALA B 1 371 ? 15.883 29.120 6.843 1.00 26.44 ? 370 ALA B O 1 ATOM 6218 C CB . ALA B 1 371 ? 14.929 31.957 5.604 1.00 27.55 ? 370 ALA B CB 1 ATOM 6219 N N . TYR B 1 372 ? 15.054 30.462 8.445 1.00 25.36 ? 371 TYR B N 1 ATOM 6220 C CA . TYR B 1 372 ? 15.846 29.840 9.512 1.00 25.11 ? 371 TYR B CA 1 ATOM 6221 C C . TYR B 1 372 ? 15.387 28.381 9.725 1.00 24.24 ? 371 TYR B C 1 ATOM 6222 O O . TYR B 1 372 ? 16.191 27.459 9.789 1.00 23.87 ? 371 TYR B O 1 ATOM 6223 C CB . TYR B 1 372 ? 15.738 30.636 10.828 1.00 24.75 ? 371 TYR B CB 1 ATOM 6224 C CG . TYR B 1 372 ? 16.707 30.164 11.889 1.00 25.35 ? 371 TYR B CG 1 ATOM 6225 C CD1 . TYR B 1 372 ? 16.440 29.025 12.653 1.00 24.71 ? 371 TYR B CD1 1 ATOM 6226 C CD2 . TYR B 1 372 ? 17.899 30.858 12.135 1.00 27.52 ? 371 TYR B CD2 1 ATOM 6227 C CE1 . TYR B 1 372 ? 17.341 28.578 13.612 1.00 25.36 ? 371 TYR B CE1 1 ATOM 6228 C CE2 . TYR B 1 372 ? 18.797 30.433 13.111 1.00 27.81 ? 371 TYR B CE2 1 ATOM 6229 C CZ . TYR B 1 372 ? 18.513 29.286 13.845 1.00 26.87 ? 371 TYR B CZ 1 ATOM 6230 O OH . TYR B 1 372 ? 19.411 28.838 14.786 1.00 27.04 ? 371 TYR B OH 1 ATOM 6231 N N . LEU B 1 373 ? 14.087 28.192 9.822 1.00 22.37 ? 372 LEU B N 1 ATOM 6232 C CA . LEU B 1 373 ? 13.545 26.857 9.981 1.00 22.88 ? 372 LEU B CA 1 ATOM 6233 C C . LEU B 1 373 ? 13.920 25.943 8.811 1.00 23.27 ? 372 LEU B C 1 ATOM 6234 O O . LEU B 1 373 ? 14.269 24.771 8.998 1.00 23.94 ? 372 LEU B O 1 ATOM 6235 C CB . LEU B 1 373 ? 12.019 26.947 10.151 1.00 22.11 ? 372 LEU B CB 1 ATOM 6236 C CG . LEU B 1 373 ? 11.313 25.609 10.329 1.00 22.31 ? 372 LEU B CG 1 ATOM 6237 C CD1 . LEU B 1 373 ? 11.756 24.887 11.589 1.00 21.79 ? 372 LEU B CD1 1 ATOM 6238 C CD2 . LEU B 1 373 ? 9.794 25.842 10.328 1.00 22.09 ? 372 LEU B CD2 1 ATOM 6239 N N . LYS B 1 374 ? 13.850 26.465 7.598 1.00 24.25 ? 373 LYS B N 1 ATOM 6240 C CA . LYS B 1 374 ? 14.238 25.699 6.425 1.00 26.23 ? 373 LYS B CA 1 ATOM 6241 C C . LYS B 1 374 ? 15.673 25.158 6.539 1.00 27.10 ? 373 LYS B C 1 ATOM 6242 O O . LYS B 1 374 ? 15.928 24.014 6.156 1.00 26.77 ? 373 LYS B O 1 ATOM 6243 C CB . LYS B 1 374 ? 14.104 26.538 5.148 1.00 28.48 ? 373 LYS B CB 1 ATOM 6244 C CG . LYS B 1 374 ? 14.185 25.701 3.880 1.00 29.60 ? 373 LYS B CG 1 ATOM 6245 C CD . LYS B 1 374 ? 14.077 26.547 2.634 1.00 32.13 ? 373 LYS B CD 1 ATOM 6246 C CE . LYS B 1 374 ? 13.991 25.654 1.411 1.00 34.63 ? 373 LYS B CE 1 ATOM 6247 N NZ . LYS B 1 374 ? 13.827 26.514 0.218 1.00 37.04 ? 373 LYS B NZ 1 ATOM 6248 N N . ARG B 1 375 ? 16.597 26.003 7.001 1.00 27.70 ? 374 ARG B N 1 ATOM 6249 C CA A ARG B 1 375 ? 17.991 25.610 7.184 0.50 29.41 ? 374 ARG B CA 1 ATOM 6250 C CA B ARG B 1 375 ? 17.996 25.611 7.193 0.50 29.95 ? 374 ARG B CA 1 ATOM 6251 C C . ARG B 1 375 ? 18.127 24.513 8.243 1.00 28.12 ? 374 ARG B C 1 ATOM 6252 O O . ARG B 1 375 ? 18.887 23.562 8.050 1.00 28.71 ? 374 ARG B O 1 ATOM 6253 C CB A ARG B 1 375 ? 18.846 26.832 7.547 0.50 31.94 ? 374 ARG B CB 1 ATOM 6254 C CB B ARG B 1 375 ? 18.854 26.829 7.589 0.50 33.62 ? 374 ARG B CB 1 ATOM 6255 C CG A ARG B 1 375 ? 20.324 26.543 7.796 0.50 35.32 ? 374 ARG B CG 1 ATOM 6256 C CG B ARG B 1 375 ? 20.285 26.524 8.047 0.50 38.34 ? 374 ARG B CG 1 ATOM 6257 C CD A ARG B 1 375 ? 21.032 26.017 6.560 0.50 37.85 ? 374 ARG B CD 1 ATOM 6258 C CD B ARG B 1 375 ? 20.896 27.733 8.760 0.50 42.26 ? 374 ARG B CD 1 ATOM 6259 N NE A ARG B 1 375 ? 22.419 25.668 6.847 0.50 40.17 ? 374 ARG B NE 1 ATOM 6260 N NE B ARG B 1 375 ? 21.600 27.411 10.014 0.50 44.69 ? 374 ARG B NE 1 ATOM 6261 C CZ A ARG B 1 375 ? 22.790 24.573 7.501 0.50 41.06 ? 374 ARG B CZ 1 ATOM 6262 C CZ B ARG B 1 375 ? 20.998 27.193 11.182 0.50 43.42 ? 374 ARG B CZ 1 ATOM 6263 N NH1 A ARG B 1 375 ? 24.068 24.336 7.723 0.50 43.63 ? 374 ARG B NH1 1 ATOM 6264 N NH1 B ARG B 1 375 ? 21.709 26.921 12.266 0.50 43.67 ? 374 ARG B NH1 1 ATOM 6265 N NH2 A ARG B 1 375 ? 21.883 23.720 7.943 0.50 40.97 ? 374 ARG B NH2 1 ATOM 6266 N NH2 B ARG B 1 375 ? 19.684 27.236 11.263 0.50 43.45 ? 374 ARG B NH2 1 ATOM 6267 N N . VAL B 1 376 ? 17.372 24.628 9.346 1.00 25.64 ? 375 VAL B N 1 ATOM 6268 C CA . VAL B 1 376 ? 17.367 23.607 10.397 1.00 24.89 ? 375 VAL B CA 1 ATOM 6269 C C . VAL B 1 376 ? 16.893 22.261 9.815 1.00 24.83 ? 375 VAL B C 1 ATOM 6270 O O . VAL B 1 376 ? 17.490 21.231 10.075 1.00 24.92 ? 375 VAL B O 1 ATOM 6271 C CB . VAL B 1 376 ? 16.483 24.003 11.618 1.00 24.92 ? 375 VAL B CB 1 ATOM 6272 C CG1 . VAL B 1 376 ? 16.351 22.856 12.621 1.00 24.75 ? 375 VAL B CG1 1 ATOM 6273 C CG2 . VAL B 1 376 ? 17.052 25.215 12.333 1.00 25.11 ? 375 VAL B CG2 1 ATOM 6274 N N . LEU B 1 377 ? 15.825 22.281 9.020 1.00 25.11 ? 376 LEU B N 1 ATOM 6275 C CA . LEU B 1 377 ? 15.203 21.042 8.521 1.00 26.38 ? 376 LEU B CA 1 ATOM 6276 C C . LEU B 1 377 ? 15.917 20.414 7.321 1.00 29.75 ? 376 LEU B C 1 ATOM 6277 O O . LEU B 1 377 ? 16.096 19.206 7.273 1.00 28.15 ? 376 LEU B O 1 ATOM 6278 C CB . LEU B 1 377 ? 13.737 21.308 8.154 1.00 25.44 ? 376 LEU B CB 1 ATOM 6279 C CG . LEU B 1 377 ? 12.845 21.772 9.297 1.00 24.75 ? 376 LEU B CG 1 ATOM 6280 C CD1 . LEU B 1 377 ? 11.414 21.988 8.805 1.00 24.81 ? 376 LEU B CD1 1 ATOM 6281 C CD2 . LEU B 1 377 ? 12.857 20.782 10.463 1.00 25.16 ? 376 LEU B CD2 1 ATOM 6282 N N . LEU B 1 378 ? 16.270 21.237 6.339 1.00 31.81 ? 377 LEU B N 1 ATOM 6283 C CA . LEU B 1 378 ? 16.698 20.760 5.033 1.00 36.74 ? 377 LEU B CA 1 ATOM 6284 C C . LEU B 1 378 ? 18.203 20.870 4.855 1.00 40.68 ? 377 LEU B C 1 ATOM 6285 O O . LEU B 1 378 ? 18.735 20.341 3.884 1.00 40.74 ? 377 LEU B O 1 ATOM 6286 C CB . LEU B 1 378 ? 15.988 21.528 3.898 1.00 38.70 ? 377 LEU B CB 1 ATOM 6287 C CG . LEU B 1 378 ? 14.588 21.129 3.382 1.00 40.99 ? 377 LEU B CG 1 ATOM 6288 C CD1 . LEU B 1 378 ? 13.654 20.642 4.459 1.00 42.21 ? 377 LEU B CD1 1 ATOM 6289 C CD2 . LEU B 1 378 ? 13.956 22.280 2.613 1.00 42.34 ? 377 LEU B CD2 1 ATOM 6290 N N . GLY B 1 379 ? 18.887 21.566 5.756 1.00 42.31 ? 378 GLY B N 1 ATOM 6291 C CA . GLY B 1 379 ? 20.341 21.570 5.759 1.00 49.74 ? 378 GLY B CA 1 ATOM 6292 C C . GLY B 1 379 ? 20.903 22.692 4.912 1.00 57.54 ? 378 GLY B C 1 ATOM 6293 O O . GLY B 1 379 ? 20.140 23.513 4.397 1.00 56.66 ? 378 GLY B O 1 ATOM 6294 N N . PRO B 1 380 ? 22.247 22.724 4.749 1.00 68.52 ? 379 PRO B N 1 ATOM 6295 C CA . PRO B 1 380 ? 22.962 23.849 4.116 1.00 74.06 ? 379 PRO B CA 1 ATOM 6296 C C . PRO B 1 380 ? 22.728 23.966 2.611 1.00 75.77 ? 379 PRO B C 1 ATOM 6297 O O . PRO B 1 380 ? 22.324 22.992 1.978 1.00 80.92 ? 379 PRO B O 1 ATOM 6298 C CB . PRO B 1 380 ? 24.440 23.537 4.405 1.00 74.53 ? 379 PRO B CB 1 ATOM 6299 C CG . PRO B 1 380 ? 24.498 22.057 4.591 1.00 73.28 ? 379 PRO B CG 1 ATOM 6300 C CD . PRO B 1 380 ? 23.166 21.639 5.155 1.00 69.81 ? 379 PRO B CD 1 ATOM 6301 N N . HIS C 1 5 ? 14.172 -16.126 -6.547 1.00 39.05 ? 4 HIS C N 1 ATOM 6302 C CA . HIS C 1 5 ? 12.678 -16.279 -6.513 1.00 34.69 ? 4 HIS C CA 1 ATOM 6303 C C . HIS C 1 5 ? 12.066 -15.566 -7.742 1.00 28.98 ? 4 HIS C C 1 ATOM 6304 O O . HIS C 1 5 ? 11.437 -14.533 -7.637 1.00 27.58 ? 4 HIS C O 1 ATOM 6305 C CB . HIS C 1 5 ? 12.180 -15.732 -5.197 1.00 38.74 ? 4 HIS C CB 1 ATOM 6306 C CG . HIS C 1 5 ? 10.724 -15.958 -4.943 1.00 38.56 ? 4 HIS C CG 1 ATOM 6307 N ND1 . HIS C 1 5 ? 10.256 -16.841 -3.992 1.00 39.02 ? 4 HIS C ND1 1 ATOM 6308 C CD2 . HIS C 1 5 ? 9.638 -15.343 -5.456 1.00 39.25 ? 4 HIS C CD2 1 ATOM 6309 C CE1 . HIS C 1 5 ? 8.938 -16.768 -3.950 1.00 39.65 ? 4 HIS C CE1 1 ATOM 6310 N NE2 . HIS C 1 5 ? 8.542 -15.863 -4.826 1.00 38.63 ? 4 HIS C NE2 1 ATOM 6311 N N . PRO C 1 6 ? 12.309 -16.097 -8.942 1.00 23.98 ? 5 PRO C N 1 ATOM 6312 C CA . PRO C 1 6 ? 11.850 -15.361 -10.124 1.00 21.66 ? 5 PRO C CA 1 ATOM 6313 C C . PRO C 1 6 ? 10.345 -15.557 -10.347 1.00 19.78 ? 5 PRO C C 1 ATOM 6314 O O . PRO C 1 6 ? 9.807 -16.595 -9.956 1.00 18.80 ? 5 PRO C O 1 ATOM 6315 C CB . PRO C 1 6 ? 12.636 -16.008 -11.268 1.00 22.58 ? 5 PRO C CB 1 ATOM 6316 C CG . PRO C 1 6 ? 12.832 -17.408 -10.802 1.00 24.07 ? 5 PRO C CG 1 ATOM 6317 C CD . PRO C 1 6 ? 13.056 -17.312 -9.312 1.00 24.58 ? 5 PRO C CD 1 ATOM 6318 N N . PRO C 1 7 ? 9.705 -14.616 -11.026 1.00 17.83 ? 6 PRO C N 1 ATOM 6319 C CA . PRO C 1 7 ? 8.288 -14.804 -11.389 1.00 17.37 ? 6 PRO C CA 1 ATOM 6320 C C . PRO C 1 7 ? 8.073 -15.969 -12.347 1.00 17.10 ? 6 PRO C C 1 ATOM 6321 O O . PRO C 1 7 ? 8.969 -16.322 -13.144 1.00 16.01 ? 6 PRO C O 1 ATOM 6322 C CB . PRO C 1 7 ? 7.899 -13.497 -12.059 1.00 17.86 ? 6 PRO C CB 1 ATOM 6323 C CG . PRO C 1 7 ? 9.130 -12.674 -12.157 1.00 18.75 ? 6 PRO C CG 1 ATOM 6324 C CD . PRO C 1 7 ? 10.296 -13.390 -11.598 1.00 18.28 ? 6 PRO C CD 1 ATOM 6325 N N . VAL C 1 8 ? 6.906 -16.608 -12.221 1.00 16.42 ? 7 VAL C N 1 ATOM 6326 C CA . VAL C 1 8 ? 6.644 -17.842 -12.921 1.00 16.45 ? 7 VAL C CA 1 ATOM 6327 C C . VAL C 1 8 ? 5.323 -17.717 -13.668 1.00 15.82 ? 7 VAL C C 1 ATOM 6328 O O . VAL C 1 8 ? 4.318 -17.242 -13.098 1.00 14.49 ? 7 VAL C O 1 ATOM 6329 C CB . VAL C 1 8 ? 6.536 -19.023 -11.933 1.00 17.26 ? 7 VAL C CB 1 ATOM 6330 C CG1 . VAL C 1 8 ? 5.993 -20.262 -12.616 1.00 17.50 ? 7 VAL C CG1 1 ATOM 6331 C CG2 . VAL C 1 8 ? 7.871 -19.342 -11.307 1.00 18.50 ? 7 VAL C CG2 1 ATOM 6332 N N . VAL C 1 9 ? 5.337 -18.131 -14.923 1.00 15.58 ? 8 VAL C N 1 ATOM 6333 C CA . VAL C 1 9 ? 4.113 -18.261 -15.739 1.00 15.10 ? 8 VAL C CA 1 ATOM 6334 C C . VAL C 1 9 ? 3.909 -19.735 -16.088 1.00 15.31 ? 8 VAL C C 1 ATOM 6335 O O . VAL C 1 9 ? 4.817 -20.399 -16.615 1.00 15.86 ? 8 VAL C O 1 ATOM 6336 C CB . VAL C 1 9 ? 4.194 -17.398 -17.019 1.00 15.19 ? 8 VAL C CB 1 ATOM 6337 C CG1 . VAL C 1 9 ? 3.006 -17.670 -17.940 1.00 15.25 ? 8 VAL C CG1 1 ATOM 6338 C CG2 . VAL C 1 9 ? 4.249 -15.901 -16.653 1.00 15.42 ? 8 VAL C CG2 1 ATOM 6339 N N . LEU C 1 10 ? 2.689 -20.222 -15.846 1.00 14.92 ? 9 LEU C N 1 ATOM 6340 C CA . LEU C 1 10 ? 2.300 -21.593 -16.113 1.00 15.17 ? 9 LEU C CA 1 ATOM 6341 C C . LEU C 1 10 ? 1.458 -21.696 -17.390 1.00 15.01 ? 9 LEU C C 1 ATOM 6342 O O . LEU C 1 10 ? 0.468 -20.970 -17.557 1.00 14.56 ? 9 LEU C O 1 ATOM 6343 C CB . LEU C 1 10 ? 1.491 -22.150 -14.940 1.00 15.54 ? 9 LEU C CB 1 ATOM 6344 C CG . LEU C 1 10 ? 2.120 -21.985 -13.546 1.00 16.98 ? 9 LEU C CG 1 ATOM 6345 C CD1 . LEU C 1 10 ? 1.129 -22.440 -12.481 1.00 17.53 ? 9 LEU C CD1 1 ATOM 6346 C CD2 . LEU C 1 10 ? 3.396 -22.780 -13.417 1.00 17.28 ? 9 LEU C CD2 1 ATOM 6347 N N . VAL C 1 11 ? 1.840 -22.627 -18.276 1.00 14.37 ? 10 VAL C N 1 ATOM 6348 C CA . VAL C 1 11 ? 1.182 -22.811 -19.564 1.00 13.90 ? 10 VAL C CA 1 ATOM 6349 C C . VAL C 1 11 ? 0.674 -24.258 -19.655 1.00 14.01 ? 10 VAL C C 1 ATOM 6350 O O . VAL C 1 11 ? 1.474 -25.201 -19.636 1.00 13.47 ? 10 VAL C O 1 ATOM 6351 C CB . VAL C 1 11 ? 2.120 -22.510 -20.758 1.00 14.30 ? 10 VAL C CB 1 ATOM 6352 C CG1 . VAL C 1 11 ? 1.335 -22.569 -22.076 1.00 14.40 ? 10 VAL C CG1 1 ATOM 6353 C CG2 . VAL C 1 11 ? 2.787 -21.137 -20.612 1.00 14.55 ? 10 VAL C CG2 1 ATOM 6354 N N . PRO C 1 12 ? -0.662 -24.443 -19.705 1.00 13.64 ? 11 PRO C N 1 ATOM 6355 C CA . PRO C 1 12 ? -1.239 -25.766 -19.685 1.00 13.73 ? 11 PRO C CA 1 ATOM 6356 C C . PRO C 1 12 ? -1.268 -26.467 -21.040 1.00 13.68 ? 11 PRO C C 1 ATOM 6357 O O . PRO C 1 12 ? -0.997 -25.851 -22.059 1.00 13.55 ? 11 PRO C O 1 ATOM 6358 C CB . PRO C 1 12 ? -2.690 -25.495 -19.248 1.00 13.95 ? 11 PRO C CB 1 ATOM 6359 C CG . PRO C 1 12 ? -3.005 -24.190 -19.858 1.00 13.85 ? 11 PRO C CG 1 ATOM 6360 C CD . PRO C 1 12 ? -1.701 -23.399 -19.767 1.00 13.88 ? 11 PRO C CD 1 ATOM 6361 N N . GLY C 1 13 ? -1.610 -27.752 -21.031 1.00 13.75 ? 12 GLY C N 1 ATOM 6362 C CA . GLY C 1 13 ? -1.747 -28.514 -22.268 1.00 14.08 ? 12 GLY C CA 1 ATOM 6363 C C . GLY C 1 13 ? -3.202 -28.595 -22.711 1.00 15.10 ? 12 GLY C C 1 ATOM 6364 O O . GLY C 1 13 ? -4.081 -27.852 -22.231 1.00 15.16 ? 12 GLY C O 1 ATOM 6365 N N . ASP C 1 14 ? -3.451 -29.517 -23.640 1.00 16.31 ? 13 ASP C N 1 ATOM 6366 C CA . ASP C 1 14 ? -4.791 -29.761 -24.172 1.00 16.23 ? 13 ASP C CA 1 ATOM 6367 C C . ASP C 1 14 ? -5.721 -30.222 -23.045 1.00 16.36 ? 13 ASP C C 1 ATOM 6368 O O . ASP C 1 14 ? -5.325 -30.984 -22.166 1.00 16.73 ? 13 ASP C O 1 ATOM 6369 C CB . ASP C 1 14 ? -4.672 -30.801 -25.296 1.00 17.59 ? 13 ASP C CB 1 ATOM 6370 C CG . ASP C 1 14 ? -5.843 -30.782 -26.287 1.00 18.92 ? 13 ASP C CG 1 ATOM 6371 O OD1 . ASP C 1 14 ? -6.838 -30.035 -26.114 1.00 18.40 ? 13 ASP C OD1 1 ATOM 6372 O OD2 . ASP C 1 14 ? -5.747 -31.589 -27.268 1.00 19.51 ? 13 ASP C OD2 1 ATOM 6373 N N . LEU C 1 15 ? -6.948 -29.716 -23.035 1.00 16.83 ? 14 LEU C N 1 ATOM 6374 C CA . LEU C 1 15 ? -7.899 -29.946 -21.945 1.00 17.50 ? 14 LEU C CA 1 ATOM 6375 C C . LEU C 1 15 ? -7.477 -29.328 -20.609 1.00 16.45 ? 14 LEU C C 1 ATOM 6376 O O . LEU C 1 15 ? -8.087 -29.600 -19.580 1.00 16.08 ? 14 LEU C O 1 ATOM 6377 C CB . LEU C 1 15 ? -8.152 -31.436 -21.728 1.00 18.71 ? 14 LEU C CB 1 ATOM 6378 C CG . LEU C 1 15 ? -8.467 -32.305 -22.953 1.00 20.47 ? 14 LEU C CG 1 ATOM 6379 C CD1 . LEU C 1 15 ? -8.708 -33.732 -22.498 1.00 21.03 ? 14 LEU C CD1 1 ATOM 6380 C CD2 . LEU C 1 15 ? -9.666 -31.758 -23.674 1.00 20.76 ? 14 LEU C CD2 1 ATOM 6381 N N . GLY C 1 16 ? -6.456 -28.481 -20.631 1.00 15.90 ? 15 GLY C N 1 ATOM 6382 C CA . GLY C 1 16 ? -5.712 -28.142 -19.416 1.00 15.75 ? 15 GLY C CA 1 ATOM 6383 C C . GLY C 1 16 ? -6.119 -26.871 -18.697 1.00 15.25 ? 15 GLY C C 1 ATOM 6384 O O . GLY C 1 16 ? -5.445 -26.434 -17.768 1.00 15.10 ? 15 GLY C O 1 ATOM 6385 N N . ASN C 1 17 ? -7.249 -26.288 -19.077 1.00 15.34 ? 16 ASN C N 1 ATOM 6386 C CA . ASN C 1 17 ? -7.837 -25.243 -18.293 1.00 15.07 ? 16 ASN C CA 1 ATOM 6387 C C . ASN C 1 17 ? -9.339 -25.200 -18.493 1.00 15.90 ? 16 ASN C C 1 ATOM 6388 O O . ASN C 1 17 ? -9.874 -25.723 -19.485 1.00 15.57 ? 16 ASN C O 1 ATOM 6389 C CB . ASN C 1 17 ? -7.189 -23.855 -18.549 1.00 14.94 ? 16 ASN C CB 1 ATOM 6390 C CG . ASN C 1 17 ? -7.146 -23.447 -20.028 1.00 14.93 ? 16 ASN C CG 1 ATOM 6391 O OD1 . ASN C 1 17 ? -6.064 -23.372 -20.626 1.00 14.69 ? 16 ASN C OD1 1 ATOM 6392 N ND2 . ASN C 1 17 ? -8.304 -23.145 -20.607 1.00 14.21 ? 16 ASN C ND2 1 ATOM 6393 N N . GLN C 1 18 ? -10.015 -24.590 -17.533 1.00 16.02 ? 17 GLN C N 1 ATOM 6394 C CA . GLN C 1 18 ? -11.476 -24.451 -17.622 1.00 17.28 ? 17 GLN C CA 1 ATOM 6395 C C . GLN C 1 18 ? -11.864 -23.661 -18.880 1.00 17.14 ? 17 GLN C C 1 ATOM 6396 O O . GLN C 1 18 ? -11.124 -22.791 -19.331 1.00 16.86 ? 17 GLN C O 1 ATOM 6397 C CB . GLN C 1 18 ? -12.026 -23.733 -16.393 1.00 18.66 ? 17 GLN C CB 1 ATOM 6398 C CG . GLN C 1 18 ? -11.828 -24.474 -15.084 1.00 20.31 ? 17 GLN C CG 1 ATOM 6399 C CD . GLN C 1 18 ? -12.333 -23.700 -13.890 1.00 22.15 ? 17 GLN C CD 1 ATOM 6400 O OE1 . GLN C 1 18 ? -13.152 -22.765 -14.018 1.00 22.18 ? 17 GLN C OE1 1 ATOM 6401 N NE2 . GLN C 1 18 ? -11.829 -24.062 -12.711 1.00 22.50 ? 17 GLN C NE2 1 ATOM 6402 N N . LEU C 1 19 ? -13.061 -23.937 -19.405 1.00 17.91 ? 18 LEU C N 1 ATOM 6403 C CA . LEU C 1 19 ? -13.699 -23.125 -20.417 1.00 18.68 ? 18 LEU C CA 1 ATOM 6404 C C . LEU C 1 19 ? -15.139 -22.878 -19.990 1.00 19.03 ? 18 LEU C C 1 ATOM 6405 O O . LEU C 1 19 ? -15.770 -23.738 -19.354 1.00 18.65 ? 18 LEU C O 1 ATOM 6406 C CB . LEU C 1 19 ? -13.727 -23.831 -21.790 1.00 19.05 ? 18 LEU C CB 1 ATOM 6407 C CG . LEU C 1 19 ? -12.391 -24.129 -22.474 1.00 19.31 ? 18 LEU C CG 1 ATOM 6408 C CD1 . LEU C 1 19 ? -12.641 -24.865 -23.788 1.00 20.56 ? 18 LEU C CD1 1 ATOM 6409 C CD2 . LEU C 1 19 ? -11.627 -22.848 -22.748 1.00 19.02 ? 18 LEU C CD2 1 ATOM 6410 N N . GLU C 1 20 ? -15.649 -21.708 -20.358 1.00 19.91 ? 19 GLU C N 1 ATOM 6411 C CA . GLU C 1 20 ? -17.019 -21.305 -20.017 1.00 21.00 ? 19 GLU C CA 1 ATOM 6412 C C . GLU C 1 20 ? -17.796 -20.985 -21.284 1.00 20.80 ? 19 GLU C C 1 ATOM 6413 O O . GLU C 1 20 ? -17.226 -20.505 -22.256 1.00 19.99 ? 19 GLU C O 1 ATOM 6414 C CB . GLU C 1 20 ? -17.003 -20.075 -19.117 1.00 23.73 ? 19 GLU C CB 1 ATOM 6415 C CG . GLU C 1 20 ? -16.509 -20.370 -17.726 1.00 25.72 ? 19 GLU C CG 1 ATOM 6416 C CD . GLU C 1 20 ? -16.326 -19.142 -16.858 1.00 29.41 ? 19 GLU C CD 1 ATOM 6417 O OE1 . GLU C 1 20 ? -16.423 -17.988 -17.350 1.00 31.15 ? 19 GLU C OE1 1 ATOM 6418 O OE2 . GLU C 1 20 ? -16.059 -19.354 -15.647 1.00 33.38 ? 19 GLU C OE2 1 ATOM 6419 N N . ALA C 1 21 ? -19.104 -21.233 -21.270 1.00 21.14 ? 20 ALA C N 1 ATOM 6420 C CA . ALA C 1 21 ? -19.946 -20.946 -22.415 1.00 21.97 ? 20 ALA C CA 1 ATOM 6421 C C . ALA C 1 21 ? -21.212 -20.177 -22.023 1.00 22.54 ? 20 ALA C C 1 ATOM 6422 O O . ALA C 1 21 ? -21.695 -20.300 -20.909 1.00 22.19 ? 20 ALA C O 1 ATOM 6423 C CB . ALA C 1 21 ? -20.351 -22.237 -23.111 1.00 22.23 ? 20 ALA C CB 1 ATOM 6424 N N . LYS C 1 22 ? -21.730 -19.410 -22.979 1.00 24.10 ? 21 LYS C N 1 ATOM 6425 C CA . LYS C 1 22 ? -23.042 -18.756 -22.855 1.00 25.74 ? 21 LYS C CA 1 ATOM 6426 C C . LYS C 1 22 ? -23.816 -19.029 -24.132 1.00 25.67 ? 21 LYS C C 1 ATOM 6427 O O . LYS C 1 22 ? -23.254 -19.006 -25.215 1.00 25.30 ? 21 LYS C O 1 ATOM 6428 C CB . LYS C 1 22 ? -22.871 -17.251 -22.609 1.00 27.72 ? 21 LYS C CB 1 ATOM 6429 C CG . LYS C 1 22 ? -24.197 -16.502 -22.458 1.00 30.45 ? 21 LYS C CG 1 ATOM 6430 C CD . LYS C 1 22 ? -23.977 -15.033 -22.138 1.00 32.75 ? 21 LYS C CD 1 ATOM 6431 C CE . LYS C 1 22 ? -25.306 -14.327 -21.883 1.00 35.35 ? 21 LYS C CE 1 ATOM 6432 N NZ . LYS C 1 22 ? -25.082 -12.997 -21.268 1.00 37.81 ? 21 LYS C NZ 1 ATOM 6433 N N . LEU C 1 23 ? -25.111 -19.295 -23.996 1.00 25.47 ? 22 LEU C N 1 ATOM 6434 C CA . LEU C 1 23 ? -25.912 -19.795 -25.089 1.00 26.35 ? 22 LEU C CA 1 ATOM 6435 C C . LEU C 1 23 ? -27.102 -18.897 -25.437 1.00 27.98 ? 22 LEU C C 1 ATOM 6436 O O . LEU C 1 23 ? -27.760 -18.368 -24.552 1.00 28.30 ? 22 LEU C O 1 ATOM 6437 C CB . LEU C 1 23 ? -26.484 -21.167 -24.727 1.00 26.69 ? 22 LEU C CB 1 ATOM 6438 C CG . LEU C 1 23 ? -25.506 -22.194 -24.156 1.00 25.90 ? 22 LEU C CG 1 ATOM 6439 C CD1 . LEU C 1 23 ? -26.269 -23.462 -23.811 1.00 26.20 ? 22 LEU C CD1 1 ATOM 6440 C CD2 . LEU C 1 23 ? -24.370 -22.474 -25.125 1.00 25.05 ? 22 LEU C CD2 1 ATOM 6441 N N . ASP C 1 24 ? -27.360 -18.772 -26.740 1.00 29.07 ? 23 ASP C N 1 ATOM 6442 C CA . ASP C 1 24 ? -28.650 -18.270 -27.283 1.00 31.63 ? 23 ASP C CA 1 ATOM 6443 C C . ASP C 1 24 ? -28.839 -18.933 -28.656 1.00 31.62 ? 23 ASP C C 1 ATOM 6444 O O . ASP C 1 24 ? -28.717 -18.293 -29.698 1.00 32.64 ? 23 ASP C O 1 ATOM 6445 C CB . ASP C 1 24 ? -28.637 -16.739 -27.378 1.00 32.47 ? 23 ASP C CB 1 ATOM 6446 C CG . ASP C 1 24 ? -30.013 -16.154 -27.721 1.00 36.05 ? 23 ASP C CG 1 ATOM 6447 O OD1 . ASP C 1 24 ? -31.016 -16.909 -27.781 1.00 35.96 ? 23 ASP C OD1 1 ATOM 6448 O OD2 . ASP C 1 24 ? -30.089 -14.928 -27.911 1.00 37.83 ? 23 ASP C OD2 1 ATOM 6449 N N . LYS C 1 25 ? -29.094 -20.243 -28.645 1.00 30.91 ? 24 LYS C N 1 ATOM 6450 C CA . LYS C 1 25 ? -29.032 -21.069 -29.847 1.00 30.17 ? 24 LYS C CA 1 ATOM 6451 C C . LYS C 1 25 ? -30.367 -21.085 -30.586 1.00 32.24 ? 24 LYS C C 1 ATOM 6452 O O . LYS C 1 25 ? -31.403 -21.114 -29.949 1.00 31.90 ? 24 LYS C O 1 ATOM 6453 C CB . LYS C 1 25 ? -28.675 -22.508 -29.463 1.00 29.58 ? 24 LYS C CB 1 ATOM 6454 C CG . LYS C 1 25 ? -27.332 -22.651 -28.741 1.00 28.64 ? 24 LYS C CG 1 ATOM 6455 C CD . LYS C 1 25 ? -27.258 -23.944 -27.938 1.00 28.39 ? 24 LYS C CD 1 ATOM 6456 C CE . LYS C 1 25 ? -27.191 -25.191 -28.797 1.00 27.98 ? 24 LYS C CE 1 ATOM 6457 N NZ . LYS C 1 25 ? -25.892 -25.391 -29.480 1.00 27.98 ? 24 LYS C NZ 1 ATOM 6458 N N . PRO C 1 26 ? -30.341 -21.114 -31.932 1.00 33.30 ? 25 PRO C N 1 ATOM 6459 C CA . PRO C 1 26 ? -31.596 -21.239 -32.684 1.00 35.45 ? 25 PRO C CA 1 ATOM 6460 C C . PRO C 1 26 ? -32.226 -22.626 -32.574 1.00 35.24 ? 25 PRO C C 1 ATOM 6461 O O . PRO C 1 26 ? -33.445 -22.727 -32.594 1.00 35.29 ? 25 PRO C O 1 ATOM 6462 C CB . PRO C 1 26 ? -31.184 -20.958 -34.139 1.00 35.40 ? 25 PRO C CB 1 ATOM 6463 C CG . PRO C 1 26 ? -29.729 -21.171 -34.188 1.00 34.85 ? 25 PRO C CG 1 ATOM 6464 C CD . PRO C 1 26 ? -29.182 -20.890 -32.815 1.00 33.37 ? 25 PRO C CD 1 ATOM 6465 N N . THR C 1 27 ? -31.408 -23.674 -32.465 1.00 33.74 ? 26 THR C N 1 ATOM 6466 C CA . THR C 1 27 ? -31.909 -25.045 -32.344 1.00 34.64 ? 26 THR C CA 1 ATOM 6467 C C . THR C 1 27 ? -31.053 -25.860 -31.405 1.00 33.45 ? 26 THR C C 1 ATOM 6468 O O . THR C 1 27 ? -29.878 -25.507 -31.167 1.00 32.08 ? 26 THR C O 1 ATOM 6469 C CB . THR C 1 27 ? -31.916 -25.782 -33.705 1.00 36.95 ? 26 THR C CB 1 ATOM 6470 O OG1 . THR C 1 27 ? -30.583 -25.879 -34.200 1.00 38.34 ? 26 THR C OG1 1 ATOM 6471 C CG2 . THR C 1 27 ? -32.764 -25.065 -34.719 1.00 39.53 ? 26 THR C CG2 1 ATOM 6472 N N . VAL C 1 28 ? -31.622 -26.945 -30.876 1.00 31.98 ? 27 VAL C N 1 ATOM 6473 C CA . VAL C 1 28 ? -30.861 -27.892 -30.050 1.00 31.00 ? 27 VAL C CA 1 ATOM 6474 C C . VAL C 1 28 ? -31.050 -29.311 -30.582 1.00 31.44 ? 27 VAL C C 1 ATOM 6475 O O . VAL C 1 28 ? -32.039 -29.607 -31.250 1.00 31.73 ? 27 VAL C O 1 ATOM 6476 C CB . VAL C 1 28 ? -31.243 -27.840 -28.551 1.00 31.35 ? 27 VAL C CB 1 ATOM 6477 C CG1 . VAL C 1 28 ? -30.709 -26.576 -27.885 1.00 31.13 ? 27 VAL C CG1 1 ATOM 6478 C CG2 . VAL C 1 28 ? -32.758 -27.951 -28.345 1.00 32.50 ? 27 VAL C CG2 1 ATOM 6479 N N . VAL C 1 29 ? -30.110 -30.195 -30.272 1.00 29.89 ? 28 VAL C N 1 ATOM 6480 C CA . VAL C 1 29 ? -30.190 -31.585 -30.738 1.00 30.08 ? 28 VAL C CA 1 ATOM 6481 C C . VAL C 1 29 ? -31.149 -32.486 -29.928 1.00 30.91 ? 28 VAL C C 1 ATOM 6482 O O . VAL C 1 29 ? -31.639 -33.480 -30.453 1.00 31.81 ? 28 VAL C O 1 ATOM 6483 C CB . VAL C 1 29 ? -28.788 -32.226 -30.833 1.00 29.58 ? 28 VAL C CB 1 ATOM 6484 C CG1 . VAL C 1 29 ? -27.900 -31.409 -31.765 1.00 29.79 ? 28 VAL C CG1 1 ATOM 6485 C CG2 . VAL C 1 29 ? -28.137 -32.356 -29.472 1.00 29.55 ? 28 VAL C CG2 1 ATOM 6486 N N . HIS C 1 30 ? -31.398 -32.158 -28.661 1.00 31.15 ? 29 HIS C N 1 ATOM 6487 C CA . HIS C 1 30 ? -32.413 -32.822 -27.824 1.00 32.48 ? 29 HIS C CA 1 ATOM 6488 C C . HIS C 1 30 ? -33.142 -31.750 -27.031 1.00 33.94 ? 29 HIS C C 1 ATOM 6489 O O . HIS C 1 30 ? -32.563 -30.717 -26.686 1.00 32.37 ? 29 HIS C O 1 ATOM 6490 C CB . HIS C 1 30 ? -31.804 -33.789 -26.800 1.00 32.17 ? 29 HIS C CB 1 ATOM 6491 C CG . HIS C 1 30 ? -30.962 -34.866 -27.408 1.00 31.59 ? 29 HIS C CG 1 ATOM 6492 N ND1 . HIS C 1 30 ? -31.430 -35.724 -28.383 1.00 32.37 ? 29 HIS C ND1 1 ATOM 6493 C CD2 . HIS C 1 30 ? -29.669 -35.205 -27.193 1.00 30.85 ? 29 HIS C CD2 1 ATOM 6494 C CE1 . HIS C 1 30 ? -30.455 -36.541 -28.750 1.00 31.84 ? 29 HIS C CE1 1 ATOM 6495 N NE2 . HIS C 1 30 ? -29.381 -36.254 -28.036 1.00 30.95 ? 29 HIS C NE2 1 ATOM 6496 N N . TYR C 1 31 ? -34.385 -32.016 -26.680 1.00 34.35 ? 30 TYR C N 1 ATOM 6497 C CA . TYR C 1 31 ? -35.106 -31.042 -25.872 1.00 36.48 ? 30 TYR C CA 1 ATOM 6498 C C . TYR C 1 31 ? -34.513 -30.808 -24.513 1.00 36.25 ? 30 TYR C C 1 ATOM 6499 O O . TYR C 1 31 ? -34.763 -29.778 -23.929 1.00 36.22 ? 30 TYR C O 1 ATOM 6500 C CB . TYR C 1 31 ? -36.556 -31.359 -25.654 1.00 37.52 ? 30 TYR C CB 1 ATOM 6501 C CG . TYR C 1 31 ? -37.333 -30.115 -25.194 1.00 38.65 ? 30 TYR C CG 1 ATOM 6502 C CD1 . TYR C 1 31 ? -37.348 -28.949 -25.966 1.00 38.70 ? 30 TYR C CD1 1 ATOM 6503 C CD2 . TYR C 1 31 ? -37.993 -30.079 -23.956 1.00 39.91 ? 30 TYR C CD2 1 ATOM 6504 C CE1 . TYR C 1 31 ? -38.044 -27.807 -25.550 1.00 40.41 ? 30 TYR C CE1 1 ATOM 6505 C CE2 . TYR C 1 31 ? -38.683 -28.938 -23.532 1.00 40.56 ? 30 TYR C CE2 1 ATOM 6506 C CZ . TYR C 1 31 ? -38.706 -27.807 -24.330 1.00 40.22 ? 30 TYR C CZ 1 ATOM 6507 O OH . TYR C 1 31 ? -39.381 -26.677 -23.907 1.00 41.36 ? 30 TYR C OH 1 ATOM 6508 N N . LEU C 1 32 ? -33.805 -31.785 -23.969 1.00 37.09 ? 31 LEU C N 1 ATOM 6509 C CA . LEU C 1 32 ? -33.200 -31.586 -22.650 1.00 38.18 ? 31 LEU C CA 1 ATOM 6510 C C . LEU C 1 32 ? -31.981 -30.663 -22.703 1.00 35.70 ? 31 LEU C C 1 ATOM 6511 O O . LEU C 1 32 ? -31.458 -30.301 -21.656 1.00 35.91 ? 31 LEU C O 1 ATOM 6512 C CB . LEU C 1 32 ? -32.875 -32.933 -21.961 1.00 40.52 ? 31 LEU C CB 1 ATOM 6513 C CG . LEU C 1 32 ? -32.088 -34.011 -22.717 1.00 41.80 ? 31 LEU C CG 1 ATOM 6514 C CD1 . LEU C 1 32 ? -30.642 -33.600 -22.886 1.00 41.93 ? 31 LEU C CD1 1 ATOM 6515 C CD2 . LEU C 1 32 ? -32.184 -35.351 -21.998 1.00 43.56 ? 31 LEU C CD2 1 ATOM 6516 N N . CYS C 1 33 ? -31.537 -30.266 -23.898 1.00 34.75 ? 32 CYS C N 1 ATOM 6517 C CA . CYS C 1 33 ? -30.420 -29.313 -24.031 1.00 34.50 ? 32 CYS C CA 1 ATOM 6518 C C . CYS C 1 33 ? -30.941 -27.884 -23.828 1.00 34.87 ? 32 CYS C C 1 ATOM 6519 O O . CYS C 1 33 ? -31.960 -27.512 -24.409 1.00 35.47 ? 32 CYS C O 1 ATOM 6520 C CB . CYS C 1 33 ? -29.773 -29.392 -25.423 1.00 34.81 ? 32 CYS C CB 1 ATOM 6521 S SG . CYS C 1 33 ? -29.185 -31.002 -26.026 1.00 37.37 ? 32 CYS C SG 1 ATOM 6522 N N . SER C 1 34 ? -30.246 -27.074 -23.034 1.00 33.52 ? 33 SER C N 1 ATOM 6523 C CA . SER C 1 34 ? -30.644 -25.672 -22.895 1.00 34.07 ? 33 SER C CA 1 ATOM 6524 C C . SER C 1 34 ? -30.389 -24.900 -24.207 1.00 33.08 ? 33 SER C C 1 ATOM 6525 O O . SER C 1 34 ? -29.317 -25.032 -24.827 1.00 29.38 ? 33 SER C O 1 ATOM 6526 C CB . SER C 1 34 ? -29.872 -24.997 -21.776 1.00 34.98 ? 33 SER C CB 1 ATOM 6527 O OG . SER C 1 34 ? -30.154 -25.552 -20.509 1.00 36.26 ? 33 SER C OG 1 ATOM 6528 N N . LYS C 1 35 ? -31.367 -24.104 -24.622 1.00 32.18 ? 34 LYS C N 1 ATOM 6529 C CA . LYS C 1 35 ? -31.229 -23.201 -25.767 1.00 33.62 ? 34 LYS C CA 1 ATOM 6530 C C . LYS C 1 35 ? -30.553 -21.907 -25.396 1.00 33.08 ? 34 LYS C C 1 ATOM 6531 O O . LYS C 1 35 ? -29.820 -21.326 -26.188 1.00 33.53 ? 34 LYS C O 1 ATOM 6532 C CB . LYS C 1 35 ? -32.601 -22.822 -26.342 1.00 36.26 ? 34 LYS C CB 1 ATOM 6533 C CG . LYS C 1 35 ? -32.974 -23.566 -27.590 1.00 37.95 ? 34 LYS C CG 1 ATOM 6534 C CD . LYS C 1 35 ? -34.269 -23.052 -28.172 1.00 40.65 ? 34 LYS C CD 1 ATOM 6535 C CE . LYS C 1 35 ? -34.339 -23.357 -29.653 1.00 41.81 ? 34 LYS C CE 1 ATOM 6536 N NZ . LYS C 1 35 ? -35.666 -23.006 -30.225 1.00 45.00 ? 34 LYS C NZ 1 ATOM 6537 N N . LYS C 1 36 ? -30.813 -21.447 -24.187 1.00 34.44 ? 35 LYS C N 1 ATOM 6538 C CA . LYS C 1 36 ? -30.429 -20.116 -23.774 1.00 35.90 ? 35 LYS C CA 1 ATOM 6539 C C . LYS C 1 36 ? -29.989 -20.136 -22.320 1.00 35.52 ? 35 LYS C C 1 ATOM 6540 O O . LYS C 1 36 ? -30.619 -20.776 -21.489 1.00 35.87 ? 35 LYS C O 1 ATOM 6541 C CB . LYS C 1 36 ? -31.639 -19.188 -23.947 1.00 40.14 ? 35 LYS C CB 1 ATOM 6542 C CG . LYS C 1 36 ? -31.335 -17.713 -23.793 1.00 43.86 ? 35 LYS C CG 1 ATOM 6543 C CD . LYS C 1 36 ? -32.611 -16.905 -24.001 1.00 48.72 ? 35 LYS C CD 1 ATOM 6544 C CE . LYS C 1 36 ? -32.440 -15.463 -23.611 1.00 52.90 ? 35 LYS C CE 1 ATOM 6545 N NZ . LYS C 1 36 ? -31.430 -14.764 -24.449 1.00 54.65 ? 35 LYS C NZ 1 ATOM 6546 N N . THR C 1 37 ? -28.914 -19.423 -22.009 1.00 33.83 ? 36 THR C N 1 ATOM 6547 C CA . THR C 1 37 ? -28.509 -19.207 -20.618 1.00 34.83 ? 36 THR C CA 1 ATOM 6548 C C . THR C 1 37 ? -28.344 -17.708 -20.390 1.00 37.33 ? 36 THR C C 1 ATOM 6549 O O . THR C 1 37 ? -27.922 -16.982 -21.298 1.00 37.48 ? 36 THR C O 1 ATOM 6550 C CB . THR C 1 37 ? -27.171 -19.923 -20.274 1.00 33.14 ? 36 THR C CB 1 ATOM 6551 O OG1 . THR C 1 37 ? -26.109 -19.379 -21.068 1.00 29.28 ? 36 THR C OG1 1 ATOM 6552 C CG2 . THR C 1 37 ? -27.298 -21.419 -20.534 1.00 32.88 ? 36 THR C CG2 1 ATOM 6553 N N . GLU C 1 38 ? -28.656 -17.251 -19.184 1.00 41.81 ? 37 GLU C N 1 ATOM 6554 C CA . GLU C 1 38 ? -28.514 -15.829 -18.862 1.00 45.22 ? 37 GLU C CA 1 ATOM 6555 C C . GLU C 1 38 ? -27.070 -15.434 -18.568 1.00 41.63 ? 37 GLU C C 1 ATOM 6556 O O . GLU C 1 38 ? -26.707 -14.266 -18.695 1.00 41.87 ? 37 GLU C O 1 ATOM 6557 C CB . GLU C 1 38 ? -29.434 -15.448 -17.704 1.00 50.62 ? 37 GLU C CB 1 ATOM 6558 C CG . GLU C 1 38 ? -30.905 -15.714 -18.001 1.00 59.20 ? 37 GLU C CG 1 ATOM 6559 C CD . GLU C 1 38 ? -31.410 -15.011 -19.267 1.00 65.61 ? 37 GLU C CD 1 ATOM 6560 O OE1 . GLU C 1 38 ? -31.012 -13.845 -19.509 1.00 72.61 ? 37 GLU C OE1 1 ATOM 6561 O OE2 . GLU C 1 38 ? -32.211 -15.619 -20.023 1.00 71.11 ? 37 GLU C OE2 1 ATOM 6562 N N . SER C 1 39 ? -26.240 -16.397 -18.187 1.00 37.89 ? 38 SER C N 1 ATOM 6563 C CA . SER C 1 39 ? -24.833 -16.117 -17.920 1.00 36.28 ? 38 SER C CA 1 ATOM 6564 C C . SER C 1 39 ? -23.970 -17.266 -18.417 1.00 32.79 ? 38 SER C C 1 ATOM 6565 O O . SER C 1 39 ? -24.474 -18.245 -18.964 1.00 30.76 ? 38 SER C O 1 ATOM 6566 C CB . SER C 1 39 ? -24.608 -15.912 -16.432 1.00 39.45 ? 38 SER C CB 1 ATOM 6567 O OG . SER C 1 39 ? -25.015 -17.073 -15.734 1.00 42.30 ? 38 SER C OG 1 ATOM 6568 N N . TYR C 1 40 ? -22.671 -17.114 -18.259 1.00 29.97 ? 39 TYR C N 1 ATOM 6569 C CA . TYR C 1 40 ? -21.726 -18.169 -18.618 1.00 29.44 ? 39 TYR C CA 1 ATOM 6570 C C . TYR C 1 40 ? -21.805 -19.296 -17.606 1.00 29.22 ? 39 TYR C C 1 ATOM 6571 O O . TYR C 1 40 ? -22.073 -19.055 -16.434 1.00 30.27 ? 39 TYR C O 1 ATOM 6572 C CB . TYR C 1 40 ? -20.303 -17.621 -18.696 1.00 28.20 ? 39 TYR C CB 1 ATOM 6573 C CG . TYR C 1 40 ? -20.068 -16.803 -19.943 1.00 28.90 ? 39 TYR C CG 1 ATOM 6574 C CD1 . TYR C 1 40 ? -20.445 -15.454 -19.996 1.00 30.70 ? 39 TYR C CD1 1 ATOM 6575 C CD2 . TYR C 1 40 ? -19.502 -17.370 -21.074 1.00 28.19 ? 39 TYR C CD2 1 ATOM 6576 C CE1 . TYR C 1 40 ? -20.241 -14.711 -21.148 1.00 30.80 ? 39 TYR C CE1 1 ATOM 6577 C CE2 . TYR C 1 40 ? -19.294 -16.632 -22.226 1.00 28.04 ? 39 TYR C CE2 1 ATOM 6578 C CZ . TYR C 1 40 ? -19.674 -15.311 -22.256 1.00 30.07 ? 39 TYR C CZ 1 ATOM 6579 O OH . TYR C 1 40 ? -19.455 -14.578 -23.384 1.00 30.79 ? 39 TYR C OH 1 ATOM 6580 N N . PHE C 1 41 ? -21.587 -20.525 -18.069 1.00 27.13 ? 40 PHE C N 1 ATOM 6581 C CA . PHE C 1 41 ? -21.485 -21.671 -17.192 1.00 26.16 ? 40 PHE C CA 1 ATOM 6582 C C . PHE C 1 41 ? -20.224 -22.438 -17.586 1.00 24.73 ? 40 PHE C C 1 ATOM 6583 O O . PHE C 1 41 ? -19.731 -22.278 -18.696 1.00 23.37 ? 40 PHE C O 1 ATOM 6584 C CB . PHE C 1 41 ? -22.725 -22.567 -17.288 1.00 26.94 ? 40 PHE C CB 1 ATOM 6585 C CG . PHE C 1 41 ? -22.921 -23.217 -18.631 1.00 27.74 ? 40 PHE C CG 1 ATOM 6586 C CD1 . PHE C 1 41 ? -23.535 -22.530 -19.676 1.00 28.15 ? 40 PHE C CD1 1 ATOM 6587 C CD2 . PHE C 1 41 ? -22.501 -24.521 -18.857 1.00 27.58 ? 40 PHE C CD2 1 ATOM 6588 C CE1 . PHE C 1 41 ? -23.718 -23.127 -20.920 1.00 29.13 ? 40 PHE C CE1 1 ATOM 6589 C CE2 . PHE C 1 41 ? -22.679 -25.118 -20.098 1.00 28.45 ? 40 PHE C CE2 1 ATOM 6590 C CZ . PHE C 1 41 ? -23.288 -24.421 -21.135 1.00 29.05 ? 40 PHE C CZ 1 ATOM 6591 N N . THR C 1 42 ? -19.745 -23.296 -16.691 1.00 23.46 ? 41 THR C N 1 ATOM 6592 C CA . THR C 1 42 ? -18.557 -24.092 -16.966 1.00 23.22 ? 41 THR C CA 1 ATOM 6593 C C . THR C 1 42 ? -18.871 -25.226 -17.936 1.00 23.07 ? 41 THR C C 1 ATOM 6594 O O . THR C 1 42 ? -19.691 -26.107 -17.640 1.00 23.74 ? 41 THR C O 1 ATOM 6595 C CB . THR C 1 42 ? -17.959 -24.645 -15.653 1.00 23.64 ? 41 THR C CB 1 ATOM 6596 O OG1 . THR C 1 42 ? -17.623 -23.546 -14.809 1.00 23.89 ? 41 THR C OG1 1 ATOM 6597 C CG2 . THR C 1 42 ? -16.699 -25.484 -15.936 1.00 22.53 ? 41 THR C CG2 1 ATOM 6598 N N . ILE C 1 43 ? -18.251 -25.184 -19.116 1.00 21.60 ? 42 ILE C N 1 ATOM 6599 C CA . ILE C 1 43 ? -18.431 -26.235 -20.119 1.00 21.60 ? 42 ILE C CA 1 ATOM 6600 C C . ILE C 1 43 ? -17.312 -27.286 -20.089 1.00 20.89 ? 42 ILE C C 1 ATOM 6601 O O . ILE C 1 43 ? -17.501 -28.434 -20.517 1.00 20.70 ? 42 ILE C O 1 ATOM 6602 C CB . ILE C 1 43 ? -18.681 -25.629 -21.526 1.00 22.26 ? 42 ILE C CB 1 ATOM 6603 C CG1 . ILE C 1 43 ? -19.300 -26.681 -22.443 1.00 23.25 ? 42 ILE C CG1 1 ATOM 6604 C CG2 . ILE C 1 43 ? -17.426 -25.014 -22.137 1.00 21.69 ? 42 ILE C CG2 1 ATOM 6605 C CD1 . ILE C 1 43 ? -19.872 -26.118 -23.729 1.00 24.50 ? 42 ILE C CD1 1 ATOM 6606 N N . TRP C 1 44 ? -16.162 -26.905 -19.539 1.00 19.97 ? 43 TRP C N 1 ATOM 6607 C CA . TRP C 1 44 ? -15.094 -27.874 -19.211 1.00 19.29 ? 43 TRP C CA 1 ATOM 6608 C C . TRP C 1 44 ? -14.429 -27.408 -17.919 1.00 19.05 ? 43 TRP C C 1 ATOM 6609 O O . TRP C 1 44 ? -14.032 -26.252 -17.847 1.00 17.40 ? 43 TRP C O 1 ATOM 6610 C CB . TRP C 1 44 ? -14.052 -27.899 -20.319 1.00 19.16 ? 43 TRP C CB 1 ATOM 6611 C CG . TRP C 1 44 ? -12.946 -28.866 -20.057 1.00 18.35 ? 43 TRP C CG 1 ATOM 6612 C CD1 . TRP C 1 44 ? -11.702 -28.587 -19.589 1.00 18.49 ? 43 TRP C CD1 1 ATOM 6613 C CD2 . TRP C 1 44 ? -13.015 -30.282 -20.206 1.00 18.98 ? 43 TRP C CD2 1 ATOM 6614 N NE1 . TRP C 1 44 ? -10.961 -29.743 -19.488 1.00 18.14 ? 43 TRP C NE1 1 ATOM 6615 C CE2 . TRP C 1 44 ? -11.756 -30.804 -19.844 1.00 19.16 ? 43 TRP C CE2 1 ATOM 6616 C CE3 . TRP C 1 44 ? -14.021 -31.166 -20.632 1.00 20.59 ? 43 TRP C CE3 1 ATOM 6617 C CZ2 . TRP C 1 44 ? -11.476 -32.173 -19.896 1.00 19.63 ? 43 TRP C CZ2 1 ATOM 6618 C CZ3 . TRP C 1 44 ? -13.739 -32.517 -20.699 1.00 20.77 ? 43 TRP C CZ3 1 ATOM 6619 C CH2 . TRP C 1 44 ? -12.476 -33.009 -20.332 1.00 20.58 ? 43 TRP C CH2 1 ATOM 6620 N N . LEU C 1 45 ? -14.286 -28.253 -16.899 1.00 20.90 ? 44 LEU C N 1 ATOM 6621 C CA . LEU C 1 45 ? -14.730 -29.654 -16.826 1.00 22.42 ? 44 LEU C CA 1 ATOM 6622 C C . LEU C 1 45 ? -15.953 -29.730 -15.908 1.00 24.75 ? 44 LEU C C 1 ATOM 6623 O O . LEU C 1 45 ? -15.911 -29.328 -14.744 1.00 23.18 ? 44 LEU C O 1 ATOM 6624 C CB . LEU C 1 45 ? -13.608 -30.531 -16.249 1.00 24.62 ? 44 LEU C CB 1 ATOM 6625 C CG . LEU C 1 45 ? -13.924 -31.991 -15.896 1.00 25.71 ? 44 LEU C CG 1 ATOM 6626 C CD1 . LEU C 1 45 ? -14.381 -32.732 -17.138 1.00 26.44 ? 44 LEU C CD1 1 ATOM 6627 C CD2 . LEU C 1 45 ? -12.697 -32.668 -15.308 1.00 26.77 ? 44 LEU C CD2 1 ATOM 6628 N N . ASN C 1 46 ? -17.042 -30.261 -16.440 1.00 26.30 ? 45 ASN C N 1 ATOM 6629 C CA . ASN C 1 46 ? -18.222 -30.580 -15.616 1.00 29.20 ? 45 ASN C CA 1 ATOM 6630 C C . ASN C 1 46 ? -18.704 -31.951 -16.026 1.00 31.74 ? 45 ASN C C 1 ATOM 6631 O O . ASN C 1 46 ? -19.174 -32.162 -17.157 1.00 28.22 ? 45 ASN C O 1 ATOM 6632 C CB . ASN C 1 46 ? -19.312 -29.551 -15.775 1.00 30.71 ? 45 ASN C CB 1 ATOM 6633 C CG . ASN C 1 46 ? -20.583 -29.922 -15.013 1.00 33.40 ? 45 ASN C CG 1 ATOM 6634 O OD1 . ASN C 1 46 ? -20.745 -31.046 -14.525 1.00 36.09 ? 45 ASN C OD1 1 ATOM 6635 N ND2 . ASN C 1 46 ? -21.474 -28.992 -14.921 1.00 33.42 ? 45 ASN C ND2 1 ATOM 6636 N N . LEU C 1 47 ? -18.559 -32.893 -15.097 1.00 36.48 ? 46 LEU C N 1 ATOM 6637 C CA . LEU C 1 47 ? -18.795 -34.307 -15.372 1.00 41.49 ? 46 LEU C CA 1 ATOM 6638 C C . LEU C 1 47 ? -20.247 -34.594 -15.734 1.00 40.01 ? 46 LEU C C 1 ATOM 6639 O O . LEU C 1 47 ? -20.534 -35.508 -16.488 1.00 42.18 ? 46 LEU C O 1 ATOM 6640 C CB . LEU C 1 47 ? -18.416 -35.149 -14.149 1.00 44.25 ? 46 LEU C CB 1 ATOM 6641 C CG . LEU C 1 47 ? -16.935 -35.128 -13.779 1.00 46.63 ? 46 LEU C CG 1 ATOM 6642 C CD1 . LEU C 1 47 ? -16.766 -35.885 -12.464 1.00 50.11 ? 46 LEU C CD1 1 ATOM 6643 C CD2 . LEU C 1 47 ? -16.106 -35.743 -14.895 1.00 46.13 ? 46 LEU C CD2 1 ATOM 6644 N N . GLU C 1 48 ? -21.156 -33.793 -15.221 1.00 42.47 ? 47 GLU C N 1 ATOM 6645 C CA . GLU C 1 48 ? -22.570 -34.026 -15.481 1.00 45.28 ? 47 GLU C CA 1 ATOM 6646 C C . GLU C 1 48 ? -22.964 -33.759 -16.936 1.00 43.24 ? 47 GLU C C 1 ATOM 6647 O O . GLU C 1 48 ? -24.008 -34.232 -17.390 1.00 42.47 ? 47 GLU C O 1 ATOM 6648 C CB . GLU C 1 48 ? -23.411 -33.196 -14.526 1.00 49.26 ? 47 GLU C CB 1 ATOM 6649 C CG . GLU C 1 48 ? -23.253 -33.678 -13.093 1.00 55.75 ? 47 GLU C CG 1 ATOM 6650 C CD . GLU C 1 48 ? -24.093 -32.902 -12.114 1.00 62.41 ? 47 GLU C CD 1 ATOM 6651 O OE1 . GLU C 1 48 ? -24.369 -31.705 -12.373 1.00 69.46 ? 47 GLU C OE1 1 ATOM 6652 O OE2 . GLU C 1 48 ? -24.471 -33.494 -11.076 1.00 71.65 ? 47 GLU C OE2 1 ATOM 6653 N N . LEU C 1 49 ? -22.132 -33.016 -17.670 1.00 36.89 ? 48 LEU C N 1 ATOM 6654 C CA . LEU C 1 49 ? -22.412 -32.715 -19.074 1.00 34.85 ? 48 LEU C CA 1 ATOM 6655 C C . LEU C 1 49 ? -21.987 -33.844 -19.994 1.00 33.75 ? 48 LEU C C 1 ATOM 6656 O O . LEU C 1 49 ? -22.302 -33.825 -21.189 1.00 32.85 ? 48 LEU C O 1 ATOM 6657 C CB . LEU C 1 49 ? -21.719 -31.408 -19.492 1.00 32.42 ? 48 LEU C CB 1 ATOM 6658 C CG . LEU C 1 49 ? -21.984 -30.174 -18.643 1.00 32.95 ? 48 LEU C CG 1 ATOM 6659 C CD1 . LEU C 1 49 ? -21.224 -28.983 -19.202 1.00 32.36 ? 48 LEU C CD1 1 ATOM 6660 C CD2 . LEU C 1 49 ? -23.480 -29.852 -18.531 1.00 34.48 ? 48 LEU C CD2 1 ATOM 6661 N N . LEU C 1 50 ? -21.252 -34.820 -19.457 1.00 34.07 ? 49 LEU C N 1 ATOM 6662 C CA . LEU C 1 50 ? -20.678 -35.903 -20.255 1.00 34.62 ? 49 LEU C CA 1 ATOM 6663 C C . LEU C 1 50 ? -21.454 -37.245 -20.148 1.00 35.81 ? 49 LEU C C 1 ATOM 6664 O O . LEU C 1 50 ? -21.078 -38.237 -20.775 1.00 35.89 ? 49 LEU C O 1 ATOM 6665 C CB . LEU C 1 50 ? -19.205 -36.105 -19.853 1.00 35.48 ? 49 LEU C CB 1 ATOM 6666 C CG . LEU C 1 50 ? -18.363 -34.812 -19.822 1.00 36.56 ? 49 LEU C CG 1 ATOM 6667 C CD1 . LEU C 1 50 ? -16.944 -35.061 -19.323 1.00 36.17 ? 49 LEU C CD1 1 ATOM 6668 C CD2 . LEU C 1 50 ? -18.336 -34.191 -21.202 1.00 34.70 ? 49 LEU C CD2 1 ATOM 6669 N N . LEU C 1 51 ? -22.555 -37.256 -19.416 1.00 37.31 ? 50 LEU C N 1 ATOM 6670 C CA . LEU C 1 51 ? -23.385 -38.464 -19.278 1.00 38.27 ? 50 LEU C CA 1 ATOM 6671 C C . LEU C 1 51 ? -24.091 -38.811 -20.605 1.00 38.71 ? 50 LEU C C 1 ATOM 6672 O O . LEU C 1 51 ? -24.234 -37.951 -21.474 1.00 37.16 ? 50 LEU C O 1 ATOM 6673 C CB . LEU C 1 51 ? -24.429 -38.238 -18.193 1.00 40.78 ? 50 LEU C CB 1 ATOM 6674 C CG . LEU C 1 51 ? -23.887 -37.986 -16.777 1.00 42.74 ? 50 LEU C CG 1 ATOM 6675 C CD1 . LEU C 1 51 ? -24.946 -37.371 -15.875 1.00 43.49 ? 50 LEU C CD1 1 ATOM 6676 C CD2 . LEU C 1 51 ? -23.342 -39.269 -16.173 1.00 44.52 ? 50 LEU C CD2 1 ATOM 6677 N N . PRO C 1 52 ? -24.522 -40.082 -20.782 1.00 38.86 ? 51 PRO C N 1 ATOM 6678 C CA . PRO C 1 52 ? -25.211 -40.456 -22.026 1.00 37.50 ? 51 PRO C CA 1 ATOM 6679 C C . PRO C 1 52 ? -26.358 -39.502 -22.346 1.00 34.74 ? 51 PRO C C 1 ATOM 6680 O O . PRO C 1 52 ? -27.005 -39.011 -21.434 1.00 34.63 ? 51 PRO C O 1 ATOM 6681 C CB . PRO C 1 52 ? -25.749 -41.862 -21.727 1.00 39.69 ? 51 PRO C CB 1 ATOM 6682 C CG . PRO C 1 52 ? -24.827 -42.405 -20.683 1.00 40.36 ? 51 PRO C CG 1 ATOM 6683 C CD . PRO C 1 52 ? -24.344 -41.233 -19.874 1.00 39.88 ? 51 PRO C CD 1 ATOM 6684 N N . VAL C 1 53 ? -26.558 -39.232 -23.636 1.00 34.06 ? 52 VAL C N 1 ATOM 6685 C CA . VAL C 1 53 ? -27.588 -38.311 -24.155 1.00 33.94 ? 52 VAL C CA 1 ATOM 6686 C C . VAL C 1 53 ? -27.241 -36.840 -23.930 1.00 32.05 ? 52 VAL C C 1 ATOM 6687 O O . VAL C 1 53 ? -27.177 -36.072 -24.885 1.00 30.51 ? 52 VAL C O 1 ATOM 6688 C CB . VAL C 1 53 ? -29.004 -38.631 -23.618 1.00 36.83 ? 52 VAL C CB 1 ATOM 6689 C CG1 . VAL C 1 53 ? -30.062 -37.770 -24.311 1.00 37.99 ? 52 VAL C CG1 1 ATOM 6690 C CG2 . VAL C 1 53 ? -29.329 -40.106 -23.830 1.00 37.99 ? 52 VAL C CG2 1 ATOM 6691 N N . ILE C 1 54 ? -27.043 -36.454 -22.677 1.00 31.79 ? 53 ILE C N 1 ATOM 6692 C CA . ILE C 1 54 ? -26.615 -35.098 -22.327 1.00 32.12 ? 53 ILE C CA 1 ATOM 6693 C C . ILE C 1 54 ? -25.301 -34.750 -23.055 1.00 29.52 ? 53 ILE C C 1 ATOM 6694 O O . ILE C 1 54 ? -25.082 -33.606 -23.464 1.00 28.18 ? 53 ILE C O 1 ATOM 6695 C CB . ILE C 1 54 ? -26.462 -34.944 -20.782 1.00 34.85 ? 53 ILE C CB 1 ATOM 6696 C CG1 . ILE C 1 54 ? -27.809 -35.234 -20.080 1.00 40.45 ? 53 ILE C CG1 1 ATOM 6697 C CG2 . ILE C 1 54 ? -26.001 -33.547 -20.384 1.00 34.92 ? 53 ILE C CG2 1 ATOM 6698 C CD1 . ILE C 1 54 ? -27.731 -35.553 -18.598 1.00 43.60 ? 53 ILE C CD1 1 ATOM 6699 N N . ILE C 1 55 ? -24.455 -35.741 -23.269 1.00 27.64 ? 54 ILE C N 1 ATOM 6700 C CA . ILE C 1 55 ? -23.199 -35.504 -23.982 1.00 27.02 ? 54 ILE C CA 1 ATOM 6701 C C . ILE C 1 55 ? -23.404 -34.954 -25.400 1.00 25.33 ? 54 ILE C C 1 ATOM 6702 O O . ILE C 1 55 ? -22.539 -34.247 -25.919 1.00 23.58 ? 54 ILE C O 1 ATOM 6703 C CB . ILE C 1 55 ? -22.297 -36.769 -24.028 1.00 28.15 ? 54 ILE C CB 1 ATOM 6704 C CG1 . ILE C 1 55 ? -20.894 -36.375 -24.496 1.00 29.18 ? 54 ILE C CG1 1 ATOM 6705 C CG2 . ILE C 1 55 ? -22.883 -37.844 -24.926 1.00 29.15 ? 54 ILE C CG2 1 ATOM 6706 C CD1 . ILE C 1 55 ? -19.787 -37.272 -23.991 1.00 31.41 ? 54 ILE C CD1 1 ATOM 6707 N N . ASP C 1 56 ? -24.534 -35.259 -26.031 1.00 24.95 ? 55 ASP C N 1 ATOM 6708 C CA . ASP C 1 56 ? -24.808 -34.701 -27.365 1.00 25.38 ? 55 ASP C CA 1 ATOM 6709 C C . ASP C 1 56 ? -24.968 -33.169 -27.293 1.00 24.95 ? 55 ASP C C 1 ATOM 6710 O O . ASP C 1 56 ? -24.556 -32.456 -28.219 1.00 24.28 ? 55 ASP C O 1 ATOM 6711 C CB . ASP C 1 56 ? -26.075 -35.309 -27.986 1.00 27.28 ? 55 ASP C CB 1 ATOM 6712 C CG . ASP C 1 56 ? -25.960 -36.793 -28.254 1.00 28.87 ? 55 ASP C CG 1 ATOM 6713 O OD1 . ASP C 1 56 ? -24.865 -37.265 -28.629 1.00 29.36 ? 55 ASP C OD1 1 ATOM 6714 O OD2 . ASP C 1 56 ? -26.985 -37.496 -28.123 1.00 30.06 ? 55 ASP C OD2 1 ATOM 6715 N N . CYS C 1 57 ? -25.579 -32.685 -26.203 1.00 25.38 ? 56 CYS C N 1 ATOM 6716 C CA . CYS C 1 57 ? -25.679 -31.243 -25.946 1.00 26.24 ? 56 CYS C CA 1 ATOM 6717 C C . CYS C 1 57 ? -24.286 -30.608 -25.796 1.00 24.66 ? 56 CYS C C 1 ATOM 6718 O O . CYS C 1 57 ? -24.004 -29.550 -26.374 1.00 23.61 ? 56 CYS C O 1 ATOM 6719 C CB . CYS C 1 57 ? -26.452 -30.958 -24.669 1.00 28.47 ? 56 CYS C CB 1 ATOM 6720 S SG . CYS C 1 57 ? -28.048 -31.800 -24.511 1.00 33.62 ? 56 CYS C SG 1 ATOM 6721 N N . TRP C 1 58 ? -23.437 -31.261 -25.009 1.00 23.00 ? 57 TRP C N 1 ATOM 6722 C CA . TRP C 1 58 ? -22.072 -30.788 -24.789 1.00 22.60 ? 57 TRP C CA 1 ATOM 6723 C C . TRP C 1 58 ? -21.295 -30.712 -26.104 1.00 21.87 ? 57 TRP C C 1 ATOM 6724 O O . TRP C 1 58 ? -20.691 -29.686 -26.406 1.00 22.17 ? 57 TRP C O 1 ATOM 6725 C CB . TRP C 1 58 ? -21.377 -31.709 -23.796 1.00 22.47 ? 57 TRP C CB 1 ATOM 6726 C CG . TRP C 1 58 ? -20.004 -31.338 -23.469 1.00 21.37 ? 57 TRP C CG 1 ATOM 6727 C CD1 . TRP C 1 58 ? -19.602 -30.367 -22.604 1.00 21.39 ? 57 TRP C CD1 1 ATOM 6728 C CD2 . TRP C 1 58 ? -18.804 -31.944 -23.977 1.00 21.25 ? 57 TRP C CD2 1 ATOM 6729 N NE1 . TRP C 1 58 ? -18.240 -30.322 -22.555 1.00 21.06 ? 57 TRP C NE1 1 ATOM 6730 C CE2 . TRP C 1 58 ? -17.718 -31.277 -23.377 1.00 20.64 ? 57 TRP C CE2 1 ATOM 6731 C CE3 . TRP C 1 58 ? -18.551 -32.993 -24.858 1.00 20.93 ? 57 TRP C CE3 1 ATOM 6732 C CZ2 . TRP C 1 58 ? -16.390 -31.632 -23.625 1.00 20.48 ? 57 TRP C CZ2 1 ATOM 6733 C CZ3 . TRP C 1 58 ? -17.249 -33.333 -25.117 1.00 21.22 ? 57 TRP C CZ3 1 ATOM 6734 C CH2 . TRP C 1 58 ? -16.177 -32.644 -24.513 1.00 20.25 ? 57 TRP C CH2 1 ATOM 6735 N N . ILE C 1 59 ? -21.328 -31.790 -26.887 1.00 21.50 ? 58 ILE C N 1 ATOM 6736 C CA A ILE C 1 59 ? -20.667 -31.823 -28.184 0.50 21.27 ? 58 ILE C CA 1 ATOM 6737 C CA B ILE C 1 59 ? -20.670 -31.824 -28.185 0.50 21.34 ? 58 ILE C CA 1 ATOM 6738 C C . ILE C 1 59 ? -21.172 -30.680 -29.073 1.00 21.79 ? 58 ILE C C 1 ATOM 6739 O O . ILE C 1 59 ? -20.380 -29.983 -29.729 1.00 20.37 ? 58 ILE C O 1 ATOM 6740 C CB A ILE C 1 59 ? -20.873 -33.178 -28.896 0.50 22.05 ? 58 ILE C CB 1 ATOM 6741 C CB B ILE C 1 59 ? -20.926 -33.156 -28.926 0.50 22.19 ? 58 ILE C CB 1 ATOM 6742 C CG1 A ILE C 1 59 ? -20.135 -34.296 -28.120 0.50 22.22 ? 58 ILE C CG1 1 ATOM 6743 C CG1 B ILE C 1 59 ? -20.259 -34.337 -28.238 0.50 22.50 ? 58 ILE C CG1 1 ATOM 6744 C CG2 A ILE C 1 59 ? -20.394 -33.093 -30.332 0.50 22.11 ? 58 ILE C CG2 1 ATOM 6745 C CG2 B ILE C 1 59 ? -20.380 -33.088 -30.326 0.50 22.23 ? 58 ILE C CG2 1 ATOM 6746 C CD1 A ILE C 1 59 ? -20.393 -35.713 -28.613 0.50 22.47 ? 58 ILE C CD1 1 ATOM 6747 C CD1 B ILE C 1 59 ? -18.779 -34.212 -28.133 0.50 21.71 ? 58 ILE C CD1 1 ATOM 6748 N N . ASP C 1 60 ? -22.495 -30.467 -29.087 1.00 21.51 ? 59 ASP C N 1 ATOM 6749 C CA . ASP C 1 60 ? -23.054 -29.429 -29.932 1.00 22.55 ? 59 ASP C CA 1 ATOM 6750 C C . ASP C 1 60 ? -22.578 -28.029 -29.555 1.00 22.45 ? 59 ASP C C 1 ATOM 6751 O O . ASP C 1 60 ? -22.531 -27.140 -30.424 1.00 23.99 ? 59 ASP C O 1 ATOM 6752 C CB . ASP C 1 60 ? -24.605 -29.467 -29.931 1.00 24.35 ? 59 ASP C CB 1 ATOM 6753 C CG . ASP C 1 60 ? -25.194 -28.709 -31.113 1.00 26.11 ? 59 ASP C CG 1 ATOM 6754 O OD1 . ASP C 1 60 ? -24.742 -28.952 -32.255 1.00 27.22 ? 59 ASP C OD1 1 ATOM 6755 O OD2 . ASP C 1 60 ? -26.108 -27.883 -30.926 1.00 27.47 ? 59 ASP C OD2 1 ATOM 6756 N N . ASN C 1 61 ? -22.218 -27.819 -28.284 1.00 21.92 ? 60 ASN C N 1 ATOM 6757 C CA . ASN C 1 61 ? -21.743 -26.519 -27.812 1.00 21.47 ? 60 ASN C CA 1 ATOM 6758 C C . ASN C 1 61 ? -20.231 -26.343 -27.889 1.00 21.13 ? 60 ASN C C 1 ATOM 6759 O O . ASN C 1 61 ? -19.741 -25.233 -28.116 1.00 21.38 ? 60 ASN C O 1 ATOM 6760 C CB . ASN C 1 61 ? -22.187 -26.277 -26.364 1.00 21.88 ? 60 ASN C CB 1 ATOM 6761 C CG . ASN C 1 61 ? -23.678 -26.014 -26.256 1.00 23.08 ? 60 ASN C CG 1 ATOM 6762 O OD1 . ASN C 1 61 ? -24.275 -25.449 -27.179 1.00 23.39 ? 60 ASN C OD1 1 ATOM 6763 N ND2 . ASN C 1 61 ? -24.282 -26.437 -25.166 1.00 23.06 ? 60 ASN C ND2 1 ATOM 6764 N N . ILE C 1 62 ? -19.493 -27.416 -27.640 1.00 20.98 ? 61 ILE C N 1 ATOM 6765 C CA . ILE C 1 62 ? -18.035 -27.295 -27.513 1.00 20.76 ? 61 ILE C CA 1 ATOM 6766 C C . ILE C 1 62 ? -17.300 -27.589 -28.819 1.00 20.68 ? 61 ILE C C 1 ATOM 6767 O O . ILE C 1 62 ? -16.085 -27.316 -28.935 1.00 20.99 ? 61 ILE C O 1 ATOM 6768 C CB . ILE C 1 62 ? -17.501 -28.182 -26.362 1.00 22.12 ? 61 ILE C CB 1 ATOM 6769 C CG1 . ILE C 1 62 ? -16.161 -27.623 -25.846 1.00 22.90 ? 61 ILE C CG1 1 ATOM 6770 C CG2 . ILE C 1 62 ? -17.379 -29.641 -26.802 1.00 21.86 ? 61 ILE C CG2 1 ATOM 6771 C CD1 . ILE C 1 62 ? -15.691 -28.241 -24.544 1.00 24.43 ? 61 ILE C CD1 1 ATOM 6772 N N . ARG C 1 63 ? -17.989 -28.166 -29.793 1.00 20.42 ? 62 ARG C N 1 ATOM 6773 C CA . ARG C 1 63 ? -17.392 -28.370 -31.104 1.00 20.70 ? 62 ARG C CA 1 ATOM 6774 C C . ARG C 1 63 ? -17.041 -27.020 -31.735 1.00 20.57 ? 62 ARG C C 1 ATOM 6775 O O . ARG C 1 63 ? -17.684 -26.013 -31.470 1.00 19.56 ? 62 ARG C O 1 ATOM 6776 C CB . ARG C 1 63 ? -18.331 -29.146 -32.032 1.00 22.11 ? 62 ARG C CB 1 ATOM 6777 C CG . ARG C 1 63 ? -19.543 -28.344 -32.486 1.00 23.94 ? 62 ARG C CG 1 ATOM 6778 C CD . ARG C 1 63 ? -20.596 -29.223 -33.131 1.00 26.84 ? 62 ARG C CD 1 ATOM 6779 N NE . ARG C 1 63 ? -21.814 -28.445 -33.389 1.00 28.97 ? 62 ARG C NE 1 ATOM 6780 C CZ . ARG C 1 63 ? -22.095 -27.789 -34.515 1.00 31.07 ? 62 ARG C CZ 1 ATOM 6781 N NH1 . ARG C 1 63 ? -21.261 -27.794 -35.551 1.00 31.46 ? 62 ARG C NH1 1 ATOM 6782 N NH2 . ARG C 1 63 ? -23.245 -27.125 -34.613 1.00 33.75 ? 62 ARG C NH2 1 ATOM 6783 N N . LEU C 1 64 ? -15.979 -27.020 -32.548 1.00 21.14 ? 63 LEU C N 1 ATOM 6784 C CA . LEU C 1 64 ? -15.712 -25.929 -33.462 1.00 21.21 ? 63 LEU C CA 1 ATOM 6785 C C . LEU C 1 64 ? -16.303 -26.235 -34.856 1.00 21.92 ? 63 LEU C C 1 ATOM 6786 O O . LEU C 1 64 ? -16.313 -27.387 -35.298 1.00 22.23 ? 63 LEU C O 1 ATOM 6787 C CB . LEU C 1 64 ? -14.214 -25.704 -33.571 1.00 20.19 ? 63 LEU C CB 1 ATOM 6788 C CG . LEU C 1 64 ? -13.472 -25.225 -32.315 1.00 20.55 ? 63 LEU C CG 1 ATOM 6789 C CD1 . LEU C 1 64 ? -11.998 -25.134 -32.640 1.00 20.99 ? 63 LEU C CD1 1 ATOM 6790 C CD2 . LEU C 1 64 ? -14.000 -23.867 -31.866 1.00 21.10 ? 63 LEU C CD2 1 ATOM 6791 N N . VAL C 1 65 ? -16.769 -25.193 -35.536 1.00 22.09 ? 64 VAL C N 1 ATOM 6792 C CA . VAL C 1 65 ? -17.220 -25.275 -36.925 1.00 23.95 ? 64 VAL C CA 1 ATOM 6793 C C . VAL C 1 65 ? -16.074 -24.810 -37.833 1.00 24.03 ? 64 VAL C C 1 ATOM 6794 O O . VAL C 1 65 ? -15.569 -23.701 -37.670 1.00 24.92 ? 64 VAL C O 1 ATOM 6795 C CB . VAL C 1 65 ? -18.428 -24.350 -37.157 1.00 26.63 ? 64 VAL C CB 1 ATOM 6796 C CG1 . VAL C 1 65 ? -18.867 -24.361 -38.625 1.00 27.74 ? 64 VAL C CG1 1 ATOM 6797 C CG2 . VAL C 1 65 ? -19.592 -24.772 -36.260 1.00 27.58 ? 64 VAL C CG2 1 ATOM 6798 N N . TYR C 1 66 ? -15.650 -25.656 -38.770 1.00 24.13 ? 65 TYR C N 1 ATOM 6799 C CA . TYR C 1 66 ? -14.598 -25.275 -39.712 1.00 23.85 ? 65 TYR C CA 1 ATOM 6800 C C . TYR C 1 66 ? -15.228 -24.635 -40.965 1.00 25.95 ? 65 TYR C C 1 ATOM 6801 O O . TYR C 1 66 ? -16.063 -25.232 -41.627 1.00 26.54 ? 65 TYR C O 1 ATOM 6802 C CB . TYR C 1 66 ? -13.722 -26.476 -40.090 1.00 23.58 ? 65 TYR C CB 1 ATOM 6803 C CG . TYR C 1 66 ? -12.481 -26.029 -40.836 1.00 22.77 ? 65 TYR C CG 1 ATOM 6804 C CD1 . TYR C 1 66 ? -11.368 -25.562 -40.146 1.00 21.86 ? 65 TYR C CD1 1 ATOM 6805 C CD2 . TYR C 1 66 ? -12.444 -26.012 -42.231 1.00 22.77 ? 65 TYR C CD2 1 ATOM 6806 C CE1 . TYR C 1 66 ? -10.245 -25.109 -40.822 1.00 21.38 ? 65 TYR C CE1 1 ATOM 6807 C CE2 . TYR C 1 66 ? -11.313 -25.565 -42.907 1.00 22.36 ? 65 TYR C CE2 1 ATOM 6808 C CZ . TYR C 1 66 ? -10.225 -25.115 -42.202 1.00 21.83 ? 65 TYR C CZ 1 ATOM 6809 O OH . TYR C 1 66 ? -9.120 -24.639 -42.874 1.00 23.00 ? 65 TYR C OH 1 ATOM 6810 N N . ASN C 1 67 ? -14.826 -23.413 -41.280 1.00 26.74 ? 66 ASN C N 1 ATOM 6811 C CA . ASN C 1 67 ? -15.329 -22.698 -42.441 1.00 29.42 ? 66 ASN C CA 1 ATOM 6812 C C . ASN C 1 67 ? -14.280 -22.801 -43.548 1.00 29.23 ? 66 ASN C C 1 ATOM 6813 O O . ASN C 1 67 ? -13.203 -22.214 -43.445 1.00 28.60 ? 66 ASN C O 1 ATOM 6814 C CB . ASN C 1 67 ? -15.609 -21.246 -42.029 1.00 30.58 ? 66 ASN C CB 1 ATOM 6815 C CG . ASN C 1 67 ? -16.142 -20.378 -43.169 1.00 33.56 ? 66 ASN C CG 1 ATOM 6816 O OD1 . ASN C 1 67 ? -15.833 -20.595 -44.336 1.00 32.80 ? 66 ASN C OD1 1 ATOM 6817 N ND2 . ASN C 1 67 ? -16.945 -19.378 -42.828 1.00 36.90 ? 66 ASN C ND2 1 ATOM 6818 N N . LYS C 1 68 ? -14.601 -23.551 -44.596 1.00 31.46 ? 67 LYS C N 1 ATOM 6819 C CA . LYS C 1 68 ? -13.660 -23.807 -45.695 1.00 34.03 ? 67 LYS C CA 1 ATOM 6820 C C . LYS C 1 68 ? -13.321 -22.561 -46.520 1.00 35.47 ? 67 LYS C C 1 ATOM 6821 O O . LYS C 1 68 ? -12.252 -22.494 -47.107 1.00 37.62 ? 67 LYS C O 1 ATOM 6822 C CB . LYS C 1 68 ? -14.200 -24.880 -46.642 1.00 36.19 ? 67 LYS C CB 1 ATOM 6823 C CG . LYS C 1 68 ? -14.362 -26.260 -46.040 1.00 38.73 ? 67 LYS C CG 1 ATOM 6824 C CD . LYS C 1 68 ? -14.987 -27.198 -47.063 1.00 41.96 ? 67 LYS C CD 1 ATOM 6825 C CE . LYS C 1 68 ? -14.947 -28.647 -46.622 1.00 45.01 ? 67 LYS C CE 1 ATOM 6826 N NZ . LYS C 1 68 ? -15.935 -28.953 -45.543 1.00 46.98 ? 67 LYS C NZ 1 ATOM 6827 N N . THR C 1 69 ? -14.216 -21.579 -46.553 1.00 36.15 ? 68 THR C N 1 ATOM 6828 C CA . THR C 1 69 ? -13.978 -20.333 -47.288 1.00 36.77 ? 68 THR C CA 1 ATOM 6829 C C . THR C 1 69 ? -12.943 -19.462 -46.594 1.00 35.98 ? 68 THR C C 1 ATOM 6830 O O . THR C 1 69 ? -11.998 -18.992 -47.209 1.00 38.41 ? 68 THR C O 1 ATOM 6831 C CB . THR C 1 69 ? -15.291 -19.526 -47.422 1.00 38.92 ? 68 THR C CB 1 ATOM 6832 O OG1 . THR C 1 69 ? -16.294 -20.364 -48.007 1.00 39.94 ? 68 THR C OG1 1 ATOM 6833 C CG2 . THR C 1 69 ? -15.094 -18.281 -48.278 1.00 40.25 ? 68 THR C CG2 1 ATOM 6834 N N . SER C 1 70 ? -13.131 -19.227 -45.301 1.00 34.70 ? 69 SER C N 1 ATOM 6835 C CA . SER C 1 70 ? -12.199 -18.424 -44.550 1.00 31.43 ? 69 SER C CA 1 ATOM 6836 C C . SER C 1 70 ? -10.986 -19.221 -44.083 1.00 30.65 ? 69 SER C C 1 ATOM 6837 O O . SER C 1 70 ? -10.041 -18.622 -43.596 1.00 29.01 ? 69 SER C O 1 ATOM 6838 C CB . SER C 1 70 ? -12.894 -17.809 -43.332 1.00 32.02 ? 69 SER C CB 1 ATOM 6839 O OG . SER C 1 70 ? -13.381 -18.808 -42.457 1.00 30.85 ? 69 SER C OG 1 ATOM 6840 N N . ARG C 1 71 ? -11.033 -20.553 -44.183 1.00 28.86 ? 70 ARG C N 1 ATOM 6841 C CA . ARG C 1 71 ? -10.010 -21.429 -43.594 1.00 29.28 ? 70 ARG C CA 1 ATOM 6842 C C . ARG C 1 71 ? -9.789 -21.093 -42.115 1.00 28.05 ? 70 ARG C C 1 ATOM 6843 O O . ARG C 1 71 ? -8.668 -20.912 -41.665 1.00 27.53 ? 70 ARG C O 1 ATOM 6844 C CB . ARG C 1 71 ? -8.683 -21.351 -44.374 1.00 30.57 ? 70 ARG C CB 1 ATOM 6845 C CG . ARG C 1 71 ? -8.802 -21.735 -45.852 1.00 31.45 ? 70 ARG C CG 1 ATOM 6846 C CD . ARG C 1 71 ? -9.094 -23.207 -46.022 1.00 31.93 ? 70 ARG C CD 1 ATOM 6847 N NE . ARG C 1 71 ? -7.960 -24.006 -45.573 1.00 30.61 ? 70 ARG C NE 1 ATOM 6848 C CZ . ARG C 1 71 ? -7.085 -24.607 -46.374 1.00 30.25 ? 70 ARG C CZ 1 ATOM 6849 N NH1 . ARG C 1 71 ? -7.179 -24.516 -47.695 1.00 29.26 ? 70 ARG C NH1 1 ATOM 6850 N NH2 . ARG C 1 71 ? -6.122 -25.342 -45.845 1.00 30.18 ? 70 ARG C NH2 1 ATOM 6851 N N . ALA C 1 72 ? -10.881 -21.005 -41.367 1.00 27.08 ? 71 ALA C N 1 ATOM 6852 C CA . ALA C 1 72 ? -10.842 -20.622 -39.955 1.00 25.98 ? 71 ALA C CA 1 ATOM 6853 C C . ALA C 1 72 ? -11.997 -21.304 -39.224 1.00 26.22 ? 71 ALA C C 1 ATOM 6854 O O . ALA C 1 72 ? -12.974 -21.710 -39.846 1.00 26.68 ? 71 ALA C O 1 ATOM 6855 C CB . ALA C 1 72 ? -10.974 -19.127 -39.822 1.00 26.53 ? 71 ALA C CB 1 ATOM 6856 N N . THR C 1 73 ? -11.889 -21.433 -37.909 1.00 25.38 ? 72 THR C N 1 ATOM 6857 C CA . THR C 1 73 ? -12.958 -22.037 -37.126 1.00 25.17 ? 72 THR C CA 1 ATOM 6858 C C . THR C 1 73 ? -13.845 -20.953 -36.565 1.00 26.26 ? 72 THR C C 1 ATOM 6859 O O . THR C 1 73 ? -13.404 -19.825 -36.375 1.00 26.78 ? 72 THR C O 1 ATOM 6860 C CB . THR C 1 73 ? -12.442 -22.930 -35.973 1.00 24.62 ? 72 THR C CB 1 ATOM 6861 O OG1 . THR C 1 73 ? -11.487 -22.220 -35.155 1.00 22.93 ? 72 THR C OG1 1 ATOM 6862 C CG2 . THR C 1 73 ? -11.794 -24.169 -36.526 1.00 24.66 ? 72 THR C CG2 1 ATOM 6863 N N . GLN C 1 74 ? -15.083 -21.327 -36.278 1.00 25.96 ? 73 GLN C N 1 ATOM 6864 C CA . GLN C 1 74 ? -15.999 -20.455 -35.576 1.00 27.26 ? 73 GLN C CA 1 ATOM 6865 C C . GLN C 1 74 ? -16.804 -21.288 -34.571 1.00 25.67 ? 73 GLN C C 1 ATOM 6866 O O . GLN C 1 74 ? -16.814 -22.510 -34.646 1.00 25.79 ? 73 GLN C O 1 ATOM 6867 C CB . GLN C 1 74 ? -16.882 -19.709 -36.594 1.00 30.91 ? 73 GLN C CB 1 ATOM 6868 C CG . GLN C 1 74 ? -17.356 -20.567 -37.737 1.00 33.34 ? 73 GLN C CG 1 ATOM 6869 C CD . GLN C 1 74 ? -18.005 -19.779 -38.879 1.00 36.38 ? 73 GLN C CD 1 ATOM 6870 O OE1 . GLN C 1 74 ? -17.332 -19.151 -39.702 1.00 37.19 ? 73 GLN C OE1 1 ATOM 6871 N NE2 . GLN C 1 74 ? -19.313 -19.857 -38.949 1.00 37.43 ? 73 GLN C NE2 1 ATOM 6872 N N . PHE C 1 75 ? -17.469 -20.634 -33.624 1.00 24.14 ? 74 PHE C N 1 ATOM 6873 C CA . PHE C 1 75 ? -18.308 -21.336 -32.660 1.00 24.21 ? 74 PHE C CA 1 ATOM 6874 C C . PHE C 1 75 ? -19.667 -21.618 -33.319 1.00 25.36 ? 74 PHE C C 1 ATOM 6875 O O . PHE C 1 75 ? -20.019 -20.955 -34.287 1.00 25.33 ? 74 PHE C O 1 ATOM 6876 C CB . PHE C 1 75 ? -18.521 -20.516 -31.372 1.00 24.33 ? 74 PHE C CB 1 ATOM 6877 C CG . PHE C 1 75 ? -17.249 -19.994 -30.729 1.00 24.31 ? 74 PHE C CG 1 ATOM 6878 C CD1 . PHE C 1 75 ? -16.068 -20.718 -30.759 1.00 24.29 ? 74 PHE C CD1 1 ATOM 6879 C CD2 . PHE C 1 75 ? -17.262 -18.774 -30.076 1.00 24.81 ? 74 PHE C CD2 1 ATOM 6880 C CE1 . PHE C 1 75 ? -14.920 -20.218 -30.156 1.00 24.74 ? 74 PHE C CE1 1 ATOM 6881 C CE2 . PHE C 1 75 ? -16.135 -18.271 -29.467 1.00 25.71 ? 74 PHE C CE2 1 ATOM 6882 C CZ . PHE C 1 75 ? -14.957 -18.996 -29.500 1.00 25.46 ? 74 PHE C CZ 1 ATOM 6883 N N . PRO C 1 76 ? -20.405 -22.619 -32.822 1.00 25.39 ? 75 PRO C N 1 ATOM 6884 C CA . PRO C 1 76 ? -21.741 -22.840 -33.366 1.00 26.88 ? 75 PRO C CA 1 ATOM 6885 C C . PRO C 1 76 ? -22.635 -21.616 -33.193 1.00 27.72 ? 75 PRO C C 1 ATOM 6886 O O . PRO C 1 76 ? -22.369 -20.778 -32.332 1.00 26.93 ? 75 PRO C O 1 ATOM 6887 C CB . PRO C 1 76 ? -22.264 -24.036 -32.555 1.00 27.10 ? 75 PRO C CB 1 ATOM 6888 C CG . PRO C 1 76 ? -21.018 -24.756 -32.117 1.00 25.99 ? 75 PRO C CG 1 ATOM 6889 C CD . PRO C 1 76 ? -20.027 -23.663 -31.849 1.00 25.13 ? 75 PRO C CD 1 ATOM 6890 N N . ASP C 1 77 ? -23.661 -21.495 -34.034 1.00 29.05 ? 76 ASP C N 1 ATOM 6891 C CA . ASP C 1 77 ? -24.562 -20.352 -33.957 1.00 30.93 ? 76 ASP C CA 1 ATOM 6892 C C . ASP C 1 77 ? -25.112 -20.208 -32.549 1.00 29.60 ? 76 ASP C C 1 ATOM 6893 O O . ASP C 1 77 ? -25.576 -21.192 -31.962 1.00 28.99 ? 76 ASP C O 1 ATOM 6894 C CB . ASP C 1 77 ? -25.736 -20.518 -34.918 1.00 35.76 ? 76 ASP C CB 1 ATOM 6895 C CG . ASP C 1 77 ? -25.317 -20.475 -36.381 1.00 39.57 ? 76 ASP C CG 1 ATOM 6896 O OD1 . ASP C 1 77 ? -24.204 -19.983 -36.678 1.00 45.34 ? 76 ASP C OD1 1 ATOM 6897 O OD2 . ASP C 1 77 ? -26.095 -20.950 -37.239 1.00 45.26 ? 76 ASP C OD2 1 ATOM 6898 N N . GLY C 1 78 ? -25.049 -18.988 -32.021 1.00 28.07 ? 77 GLY C N 1 ATOM 6899 C CA . GLY C 1 78 ? -25.567 -18.670 -30.703 1.00 28.41 ? 77 GLY C CA 1 ATOM 6900 C C . GLY C 1 78 ? -24.753 -19.194 -29.524 1.00 27.79 ? 77 GLY C C 1 ATOM 6901 O O . GLY C 1 78 ? -25.254 -19.224 -28.394 1.00 28.91 ? 77 GLY C O 1 ATOM 6902 N N . VAL C 1 79 ? -23.507 -19.600 -29.752 1.00 25.95 ? 78 VAL C N 1 ATOM 6903 C CA . VAL C 1 79 ? -22.655 -20.085 -28.669 1.00 25.40 ? 78 VAL C CA 1 ATOM 6904 C C . VAL C 1 79 ? -21.452 -19.142 -28.543 1.00 25.30 ? 78 VAL C C 1 ATOM 6905 O O . VAL C 1 79 ? -20.815 -18.826 -29.538 1.00 24.53 ? 78 VAL C O 1 ATOM 6906 C CB . VAL C 1 79 ? -22.138 -21.518 -28.937 1.00 24.68 ? 78 VAL C CB 1 ATOM 6907 C CG1 . VAL C 1 79 ? -21.211 -21.978 -27.821 1.00 24.31 ? 78 VAL C CG1 1 ATOM 6908 C CG2 . VAL C 1 79 ? -23.292 -22.502 -29.094 1.00 25.78 ? 78 VAL C CG2 1 ATOM 6909 N N . ASP C 1 80 ? -21.168 -18.691 -27.326 1.00 25.94 ? 79 ASP C N 1 ATOM 6910 C CA . ASP C 1 80 ? -19.873 -18.070 -27.043 1.00 27.10 ? 79 ASP C CA 1 ATOM 6911 C C . ASP C 1 80 ? -19.093 -18.885 -26.025 1.00 24.99 ? 79 ASP C C 1 ATOM 6912 O O . ASP C 1 80 ? -19.671 -19.403 -25.062 1.00 24.46 ? 79 ASP C O 1 ATOM 6913 C CB . ASP C 1 80 ? -20.003 -16.660 -26.500 1.00 29.88 ? 79 ASP C CB 1 ATOM 6914 C CG . ASP C 1 80 ? -18.639 -15.962 -26.458 1.00 33.20 ? 79 ASP C CG 1 ATOM 6915 O OD1 . ASP C 1 80 ? -17.946 -15.949 -27.520 1.00 33.10 ? 79 ASP C OD1 1 ATOM 6916 O OD2 . ASP C 1 80 ? -18.216 -15.524 -25.367 1.00 35.94 ? 79 ASP C OD2 1 ATOM 6917 N N . VAL C 1 81 ? -17.779 -19.002 -26.241 1.00 25.07 ? 80 VAL C N 1 ATOM 6918 C CA . VAL C 1 81 ? -16.896 -19.732 -25.326 1.00 24.07 ? 80 VAL C CA 1 ATOM 6919 C C . VAL C 1 81 ? -15.742 -18.824 -24.914 1.00 24.39 ? 80 VAL C C 1 ATOM 6920 O O . VAL C 1 81 ? -15.112 -18.212 -25.765 1.00 24.90 ? 80 VAL C O 1 ATOM 6921 C CB . VAL C 1 81 ? -16.334 -21.023 -25.953 1.00 24.25 ? 80 VAL C CB 1 ATOM 6922 C CG1 . VAL C 1 81 ? -15.392 -21.739 -24.989 1.00 23.54 ? 80 VAL C CG1 1 ATOM 6923 C CG2 . VAL C 1 81 ? -17.442 -21.976 -26.344 1.00 24.22 ? 80 VAL C CG2 1 ATOM 6924 N N . ARG C 1 82 ? -15.524 -18.680 -23.610 1.00 22.67 ? 81 ARG C N 1 ATOM 6925 C CA . ARG C 1 82 ? -14.470 -17.829 -23.104 1.00 22.77 ? 81 ARG C CA 1 ATOM 6926 C C . ARG C 1 82 ? -13.562 -18.586 -22.133 1.00 20.85 ? 81 ARG C C 1 ATOM 6927 O O . ARG C 1 82 ? -13.953 -19.608 -21.575 1.00 20.14 ? 81 ARG C O 1 ATOM 6928 C CB . ARG C 1 82 ? -15.042 -16.564 -22.471 1.00 24.49 ? 81 ARG C CB 1 ATOM 6929 C CG . ARG C 1 82 ? -15.646 -16.761 -21.103 1.00 28.03 ? 81 ARG C CG 1 ATOM 6930 C CD . ARG C 1 82 ? -16.049 -15.438 -20.453 1.00 31.01 ? 81 ARG C CD 1 ATOM 6931 N NE . ARG C 1 82 ? -16.665 -15.728 -19.157 1.00 34.18 ? 81 ARG C NE 1 ATOM 6932 C CZ . ARG C 1 82 ? -17.430 -14.879 -18.454 1.00 37.78 ? 81 ARG C CZ 1 ATOM 6933 N NH1 . ARG C 1 82 ? -17.699 -13.654 -18.901 1.00 36.00 ? 81 ARG C NH1 1 ATOM 6934 N NH2 . ARG C 1 82 ? -17.928 -15.278 -17.288 1.00 39.07 ? 81 ARG C NH2 1 ATOM 6935 N N . VAL C 1 83 ? -12.360 -18.059 -21.952 1.00 19.71 ? 82 VAL C N 1 ATOM 6936 C CA . VAL C 1 83 ? -11.333 -18.681 -21.113 1.00 19.69 ? 82 VAL C CA 1 ATOM 6937 C C . VAL C 1 83 ? -11.245 -17.863 -19.826 1.00 19.39 ? 82 VAL C C 1 ATOM 6938 O O . VAL C 1 83 ? -10.821 -16.714 -19.877 1.00 20.26 ? 82 VAL C O 1 ATOM 6939 C CB . VAL C 1 83 ? -9.958 -18.620 -21.809 1.00 19.32 ? 82 VAL C CB 1 ATOM 6940 C CG1 . VAL C 1 83 ? -8.880 -19.210 -20.922 1.00 19.38 ? 82 VAL C CG1 1 ATOM 6941 C CG2 . VAL C 1 83 ? -10.035 -19.353 -23.145 1.00 20.14 ? 82 VAL C CG2 1 ATOM 6942 N N . PRO C 1 84 ? -11.668 -18.421 -18.688 1.00 19.46 ? 83 PRO C N 1 ATOM 6943 C CA . PRO C 1 84 ? -11.589 -17.654 -17.432 1.00 19.69 ? 83 PRO C CA 1 ATOM 6944 C C . PRO C 1 84 ? -10.184 -17.738 -16.834 1.00 19.51 ? 83 PRO C C 1 ATOM 6945 O O . PRO C 1 84 ? -9.434 -18.621 -17.204 1.00 19.04 ? 83 PRO C O 1 ATOM 6946 C CB . PRO C 1 84 ? -12.584 -18.365 -16.523 1.00 20.13 ? 83 PRO C CB 1 ATOM 6947 C CG . PRO C 1 84 ? -12.549 -19.785 -17.002 1.00 20.15 ? 83 PRO C CG 1 ATOM 6948 C CD . PRO C 1 84 ? -12.366 -19.710 -18.492 1.00 19.84 ? 83 PRO C CD 1 ATOM 6949 N N . GLY C 1 85 ? -9.844 -16.805 -15.937 1.00 18.98 ? 84 GLY C N 1 ATOM 6950 C CA . GLY C 1 85 ? -8.682 -16.971 -15.076 1.00 19.04 ? 84 GLY C CA 1 ATOM 6951 C C . GLY C 1 85 ? -7.329 -16.622 -15.662 1.00 18.15 ? 84 GLY C C 1 ATOM 6952 O O . GLY C 1 85 ? -6.304 -17.060 -15.119 1.00 17.86 ? 84 GLY C O 1 ATOM 6953 N N . PHE C 1 86 ? -7.294 -15.860 -16.760 1.00 17.81 ? 85 PHE C N 1 ATOM 6954 C CA . PHE C 1 86 ? -6.013 -15.419 -17.312 1.00 17.79 ? 85 PHE C CA 1 ATOM 6955 C C . PHE C 1 86 ? -5.297 -14.516 -16.294 1.00 18.09 ? 85 PHE C C 1 ATOM 6956 O O . PHE C 1 86 ? -5.883 -13.575 -15.780 1.00 17.39 ? 85 PHE C O 1 ATOM 6957 C CB . PHE C 1 86 ? -6.161 -14.699 -18.673 1.00 18.15 ? 85 PHE C CB 1 ATOM 6958 C CG . PHE C 1 86 ? -4.830 -14.455 -19.366 1.00 17.76 ? 85 PHE C CG 1 ATOM 6959 C CD1 . PHE C 1 86 ? -4.282 -15.408 -20.217 1.00 17.85 ? 85 PHE C CD1 1 ATOM 6960 C CD2 . PHE C 1 86 ? -4.110 -13.306 -19.114 1.00 17.80 ? 85 PHE C CD2 1 ATOM 6961 C CE1 . PHE C 1 86 ? -3.041 -15.206 -20.822 1.00 17.60 ? 85 PHE C CE1 1 ATOM 6962 C CE2 . PHE C 1 86 ? -2.870 -13.097 -19.708 1.00 17.71 ? 85 PHE C CE2 1 ATOM 6963 C CZ . PHE C 1 86 ? -2.331 -14.050 -20.547 1.00 17.72 ? 85 PHE C CZ 1 ATOM 6964 N N . GLY C 1 87 ? -4.054 -14.837 -15.986 1.00 17.32 ? 86 GLY C N 1 ATOM 6965 C CA . GLY C 1 87 ? -3.306 -14.090 -15.001 1.00 18.49 ? 86 GLY C CA 1 ATOM 6966 C C . GLY C 1 87 ? -3.503 -14.611 -13.592 1.00 19.53 ? 86 GLY C C 1 ATOM 6967 O O . GLY C 1 87 ? -2.783 -14.168 -12.702 1.00 20.94 ? 86 GLY C O 1 ATOM 6968 N N . LYS C 1 88 ? -4.414 -15.585 -13.406 1.00 18.91 ? 87 LYS C N 1 ATOM 6969 C CA . LYS C 1 88 ? -4.661 -16.256 -12.131 1.00 20.51 ? 87 LYS C CA 1 ATOM 6970 C C . LYS C 1 88 ? -4.267 -17.725 -12.298 1.00 19.10 ? 87 LYS C C 1 ATOM 6971 O O . LYS C 1 88 ? -3.721 -18.097 -13.337 1.00 18.43 ? 87 LYS C O 1 ATOM 6972 C CB . LYS C 1 88 ? -6.152 -16.180 -11.773 1.00 22.67 ? 87 LYS C CB 1 ATOM 6973 C CG . LYS C 1 88 ? -6.753 -14.791 -11.852 1.00 25.88 ? 87 LYS C CG 1 ATOM 6974 C CD . LYS C 1 88 ? -6.086 -13.840 -10.897 1.00 29.45 ? 87 LYS C CD 1 ATOM 6975 C CE . LYS C 1 88 ? -6.771 -12.470 -10.915 1.00 33.67 ? 87 LYS C CE 1 ATOM 6976 N NZ . LYS C 1 88 ? -5.868 -11.424 -10.342 1.00 34.61 ? 87 LYS C NZ 1 ATOM 6977 N N . THR C 1 89 ? -4.508 -18.555 -11.292 1.00 18.88 ? 88 THR C N 1 ATOM 6978 C CA . THR C 1 89 ? -4.118 -19.980 -11.398 1.00 19.19 ? 88 THR C CA 1 ATOM 6979 C C . THR C 1 89 ? -5.263 -20.942 -11.192 1.00 18.52 ? 88 THR C C 1 ATOM 6980 O O . THR C 1 89 ? -5.148 -22.121 -11.533 1.00 18.68 ? 88 THR C O 1 ATOM 6981 C CB . THR C 1 89 ? -2.986 -20.344 -10.417 1.00 20.29 ? 88 THR C CB 1 ATOM 6982 O OG1 . THR C 1 89 ? -3.446 -20.179 -9.087 1.00 21.71 ? 88 THR C OG1 1 ATOM 6983 C CG2 . THR C 1 89 ? -1.742 -19.456 -10.628 1.00 20.91 ? 88 THR C CG2 1 ATOM 6984 N N . PHE C 1 90 ? -6.387 -20.461 -10.670 1.00 18.88 ? 89 PHE C N 1 ATOM 6985 C CA . PHE C 1 90 ? -7.474 -21.352 -10.297 1.00 19.57 ? 89 PHE C CA 1 ATOM 6986 C C . PHE C 1 90 ? -7.950 -22.247 -11.463 1.00 19.17 ? 89 PHE C C 1 ATOM 6987 O O . PHE C 1 90 ? -8.306 -23.420 -11.243 1.00 19.22 ? 89 PHE C O 1 ATOM 6988 C CB . PHE C 1 90 ? -8.652 -20.572 -9.679 1.00 21.48 ? 89 PHE C CB 1 ATOM 6989 C CG . PHE C 1 90 ? -9.426 -19.727 -10.658 1.00 22.54 ? 89 PHE C CG 1 ATOM 6990 C CD1 . PHE C 1 90 ? -10.478 -20.269 -11.395 1.00 24.17 ? 89 PHE C CD1 1 ATOM 6991 C CD2 . PHE C 1 90 ? -9.161 -18.364 -10.785 1.00 23.85 ? 89 PHE C CD2 1 ATOM 6992 C CE1 . PHE C 1 90 ? -11.207 -19.482 -12.278 1.00 24.26 ? 89 PHE C CE1 1 ATOM 6993 C CE2 . PHE C 1 90 ? -9.903 -17.569 -11.641 1.00 23.98 ? 89 PHE C CE2 1 ATOM 6994 C CZ . PHE C 1 90 ? -10.922 -18.134 -12.406 1.00 24.63 ? 89 PHE C CZ 1 ATOM 6995 N N . SER C 1 91 ? -7.969 -21.695 -12.678 1.00 18.27 ? 90 SER C N 1 ATOM 6996 C CA . SER C 1 91 ? -8.583 -22.399 -13.801 1.00 18.91 ? 90 SER C CA 1 ATOM 6997 C C . SER C 1 91 ? -7.692 -23.492 -14.395 1.00 18.83 ? 90 SER C C 1 ATOM 6998 O O . SER C 1 91 ? -8.171 -24.306 -15.184 1.00 18.08 ? 90 SER C O 1 ATOM 6999 C CB . SER C 1 91 ? -9.051 -21.429 -14.883 1.00 18.71 ? 90 SER C CB 1 ATOM 7000 O OG . SER C 1 91 ? -7.991 -20.899 -15.639 1.00 18.93 ? 90 SER C OG 1 ATOM 7001 N N . LEU C 1 92 ? -6.398 -23.449 -14.076 1.00 18.04 ? 91 LEU C N 1 ATOM 7002 C CA A LEU C 1 92 ? -5.522 -24.573 -14.408 0.50 17.82 ? 91 LEU C CA 1 ATOM 7003 C CA B LEU C 1 92 ? -5.432 -24.514 -14.352 0.50 18.13 ? 91 LEU C CA 1 ATOM 7004 C C . LEU C 1 92 ? -5.205 -25.485 -13.210 1.00 18.40 ? 91 LEU C C 1 ATOM 7005 O O . LEU C 1 92 ? -4.760 -26.616 -13.414 1.00 18.59 ? 91 LEU C O 1 ATOM 7006 C CB A LEU C 1 92 ? -4.295 -24.172 -15.245 0.50 17.62 ? 91 LEU C CB 1 ATOM 7007 C CB B LEU C 1 92 ? -4.058 -23.878 -14.564 0.50 18.43 ? 91 LEU C CB 1 ATOM 7008 C CG A LEU C 1 92 ? -3.520 -22.891 -15.012 0.50 17.52 ? 91 LEU C CG 1 ATOM 7009 C CG B LEU C 1 92 ? -3.664 -23.194 -15.847 0.50 18.62 ? 91 LEU C CG 1 ATOM 7010 C CD1 A LEU C 1 92 ? -2.774 -23.091 -13.709 0.50 17.75 ? 91 LEU C CD1 1 ATOM 7011 C CD1 B LEU C 1 92 ? -4.473 -21.948 -16.100 0.50 18.95 ? 91 LEU C CD1 1 ATOM 7012 C CD2 A LEU C 1 92 ? -2.525 -22.674 -16.150 0.50 17.64 ? 91 LEU C CD2 1 ATOM 7013 C CD2 B LEU C 1 92 ? -2.197 -22.825 -15.689 0.50 18.73 ? 91 LEU C CD2 1 ATOM 7014 N N . GLU C 1 93 ? -5.446 -25.033 -11.981 1.00 18.12 ? 92 GLU C N 1 ATOM 7015 C CA . GLU C 1 93 ? -5.219 -25.909 -10.834 1.00 18.69 ? 92 GLU C CA 1 ATOM 7016 C C . GLU C 1 93 ? -6.261 -27.013 -10.773 1.00 19.30 ? 92 GLU C C 1 ATOM 7017 O O . GLU C 1 93 ? -5.953 -28.173 -10.537 1.00 18.91 ? 92 GLU C O 1 ATOM 7018 C CB . GLU C 1 93 ? -5.234 -25.136 -9.504 1.00 18.95 ? 92 GLU C CB 1 ATOM 7019 C CG . GLU C 1 93 ? -4.017 -24.256 -9.251 1.00 19.07 ? 92 GLU C CG 1 ATOM 7020 C CD . GLU C 1 93 ? -4.118 -23.591 -7.865 1.00 19.81 ? 92 GLU C CD 1 ATOM 7021 O OE1 . GLU C 1 93 ? -4.265 -22.337 -7.800 1.00 20.59 ? 92 GLU C OE1 1 ATOM 7022 O OE2 . GLU C 1 93 ? -4.086 -24.302 -6.816 1.00 21.04 ? 92 GLU C OE2 1 ATOM 7023 N N . PHE C 1 94 ? -7.502 -26.616 -10.985 1.00 19.87 ? 93 PHE C N 1 ATOM 7024 C CA . PHE C 1 94 ? -8.651 -27.515 -10.942 1.00 21.88 ? 93 PHE C CA 1 ATOM 7025 C C . PHE C 1 94 ? -9.457 -27.299 -12.213 1.00 21.65 ? 93 PHE C C 1 ATOM 7026 O O . PHE C 1 94 ? -9.901 -26.173 -12.512 1.00 23.03 ? 93 PHE C O 1 ATOM 7027 C CB . PHE C 1 94 ? -9.527 -27.174 -9.765 1.00 24.21 ? 93 PHE C CB 1 ATOM 7028 C CG . PHE C 1 94 ? -8.922 -27.527 -8.436 1.00 26.22 ? 93 PHE C CG 1 ATOM 7029 C CD1 . PHE C 1 94 ? -8.786 -28.832 -8.039 1.00 27.98 ? 93 PHE C CD1 1 ATOM 7030 C CD2 . PHE C 1 94 ? -8.480 -26.537 -7.602 1.00 29.61 ? 93 PHE C CD2 1 ATOM 7031 C CE1 . PHE C 1 94 ? -8.228 -29.142 -6.794 1.00 30.62 ? 93 PHE C CE1 1 ATOM 7032 C CE2 . PHE C 1 94 ? -7.926 -26.832 -6.363 1.00 30.99 ? 93 PHE C CE2 1 ATOM 7033 C CZ . PHE C 1 94 ? -7.796 -28.133 -5.965 1.00 29.74 ? 93 PHE C CZ 1 ATOM 7034 N N . LEU C 1 95 ? -9.617 -28.352 -12.986 1.00 20.83 ? 94 LEU C N 1 ATOM 7035 C CA . LEU C 1 95 ? -10.393 -28.253 -14.234 1.00 21.08 ? 94 LEU C CA 1 ATOM 7036 C C . LEU C 1 95 ? -11.888 -28.217 -13.929 1.00 22.33 ? 94 LEU C C 1 ATOM 7037 O O . LEU C 1 95 ? -12.660 -27.593 -14.660 1.00 21.48 ? 94 LEU C O 1 ATOM 7038 C CB . LEU C 1 95 ? -10.064 -29.416 -15.149 1.00 20.84 ? 94 LEU C CB 1 ATOM 7039 C CG . LEU C 1 95 ? -8.580 -29.529 -15.502 1.00 20.94 ? 94 LEU C CG 1 ATOM 7040 C CD1 . LEU C 1 95 ? -8.341 -30.744 -16.370 1.00 21.91 ? 94 LEU C CD1 1 ATOM 7041 C CD2 . LEU C 1 95 ? -8.046 -28.263 -16.179 1.00 21.28 ? 94 LEU C CD2 1 ATOM 7042 N N . ASP C 1 96 ? -12.269 -28.886 -12.848 1.00 24.60 ? 95 ASP C N 1 ATOM 7043 C CA . ASP C 1 96 ? -13.654 -28.905 -12.371 1.00 28.48 ? 95 ASP C CA 1 ATOM 7044 C C . ASP C 1 96 ? -13.763 -27.960 -11.180 1.00 29.97 ? 95 ASP C C 1 ATOM 7045 O O . ASP C 1 96 ? -13.099 -28.180 -10.166 1.00 29.48 ? 95 ASP C O 1 ATOM 7046 C CB . ASP C 1 96 ? -14.036 -30.330 -11.960 1.00 31.80 ? 95 ASP C CB 1 ATOM 7047 C CG . ASP C 1 96 ? -15.515 -30.478 -11.686 1.00 37.26 ? 95 ASP C CG 1 ATOM 7048 O OD1 . ASP C 1 96 ? -16.159 -29.486 -11.275 1.00 39.66 ? 95 ASP C OD1 1 ATOM 7049 O OD2 . ASP C 1 96 ? -16.035 -31.592 -11.879 1.00 43.50 ? 95 ASP C OD2 1 ATOM 7050 N N . PRO C 1 97 ? -14.573 -26.894 -11.303 1.00 31.39 ? 96 PRO C N 1 ATOM 7051 C CA . PRO C 1 97 ? -14.659 -25.925 -10.210 1.00 34.00 ? 96 PRO C CA 1 ATOM 7052 C C . PRO C 1 97 ? -15.229 -26.499 -8.894 1.00 35.20 ? 96 PRO C C 1 ATOM 7053 O O . PRO C 1 97 ? -15.101 -25.849 -7.881 1.00 36.19 ? 96 PRO C O 1 ATOM 7054 C CB . PRO C 1 97 ? -15.572 -24.808 -10.765 1.00 35.38 ? 96 PRO C CB 1 ATOM 7055 C CG . PRO C 1 97 ? -15.899 -25.157 -12.176 1.00 34.54 ? 96 PRO C CG 1 ATOM 7056 C CD . PRO C 1 97 ? -15.442 -26.554 -12.448 1.00 33.36 ? 96 PRO C CD 1 ATOM 7057 N N . SER C 1 98 ? -15.815 -27.698 -8.910 1.00 35.73 ? 97 SER C N 1 ATOM 7058 C CA . SER C 1 98 ? -16.118 -28.416 -7.670 1.00 39.17 ? 97 SER C CA 1 ATOM 7059 C C . SER C 1 98 ? -14.845 -28.806 -6.898 1.00 43.00 ? 97 SER C C 1 ATOM 7060 O O . SER C 1 98 ? -14.922 -29.179 -5.726 1.00 42.61 ? 97 SER C O 1 ATOM 7061 C CB . SER C 1 98 ? -16.885 -29.691 -7.959 1.00 39.84 ? 97 SER C CB 1 ATOM 7062 O OG . SER C 1 98 ? -16.006 -30.686 -8.478 1.00 41.02 ? 97 SER C OG 1 ATOM 7063 N N . LYS C 1 99 ? -13.694 -28.752 -7.575 1.00 40.90 ? 98 LYS C N 1 ATOM 7064 C CA . LYS C 1 99 ? -12.385 -29.074 -7.011 1.00 42.32 ? 98 LYS C CA 1 ATOM 7065 C C . LYS C 1 99 ? -12.243 -30.547 -6.707 1.00 41.97 ? 98 LYS C C 1 ATOM 7066 O O . LYS C 1 99 ? -11.431 -30.956 -5.888 1.00 42.00 ? 98 LYS C O 1 ATOM 7067 C CB . LYS C 1 99 ? -12.059 -28.212 -5.797 1.00 45.15 ? 98 LYS C CB 1 ATOM 7068 C CG . LYS C 1 99 ? -12.085 -26.732 -6.120 1.00 47.72 ? 98 LYS C CG 1 ATOM 7069 C CD . LYS C 1 99 ? -11.623 -25.910 -4.941 1.00 51.40 ? 98 LYS C CD 1 ATOM 7070 C CE . LYS C 1 99 ? -11.519 -24.450 -5.324 1.00 54.49 ? 98 LYS C CE 1 ATOM 7071 N NZ . LYS C 1 99 ? -10.994 -23.647 -4.180 1.00 60.17 ? 98 LYS C NZ 1 ATOM 7072 N N . SER C 1 100 ? -12.991 -31.342 -7.450 1.00 42.49 ? 99 SER C N 1 ATOM 7073 C CA . SER C 1 100 ? -12.857 -32.778 -7.422 1.00 45.22 ? 99 SER C CA 1 ATOM 7074 C C . SER C 1 100 ? -11.450 -33.220 -7.849 1.00 45.15 ? 99 SER C C 1 ATOM 7075 O O . SER C 1 100 ? -10.836 -32.618 -8.752 1.00 41.02 ? 99 SER C O 1 ATOM 7076 C CB . SER C 1 100 ? -13.889 -33.387 -8.373 1.00 46.60 ? 99 SER C CB 1 ATOM 7077 O OG . SER C 1 100 ? -13.640 -34.765 -8.530 1.00 50.40 ? 99 SER C OG 1 ATOM 7078 N N . SER C 1 101 ? -10.969 -34.307 -7.245 1.00 45.20 ? 100 SER C N 1 ATOM 7079 C CA . SER C 1 101 ? -9.633 -34.840 -7.554 1.00 43.62 ? 100 SER C CA 1 ATOM 7080 C C . SER C 1 101 ? -9.488 -35.252 -9.014 1.00 41.03 ? 100 SER C C 1 ATOM 7081 O O . SER C 1 101 ? -8.392 -35.190 -9.578 1.00 36.24 ? 100 SER C O 1 ATOM 7082 C CB . SER C 1 101 ? -9.298 -36.025 -6.657 1.00 46.40 ? 100 SER C CB 1 ATOM 7083 O OG . SER C 1 101 ? -10.190 -37.093 -6.897 1.00 48.44 ? 100 SER C OG 1 ATOM 7084 N N . VAL C 1 102 ? -10.597 -35.636 -9.643 1.00 39.33 ? 101 VAL C N 1 ATOM 7085 C CA . VAL C 1 102 ? -10.592 -35.981 -11.058 1.00 37.87 ? 101 VAL C CA 1 ATOM 7086 C C . VAL C 1 102 ? -10.043 -34.832 -11.923 1.00 33.02 ? 101 VAL C C 1 ATOM 7087 O O . VAL C 1 102 ? -9.424 -35.068 -12.954 1.00 34.42 ? 101 VAL C O 1 ATOM 7088 C CB . VAL C 1 102 ? -12.024 -36.331 -11.523 1.00 40.82 ? 101 VAL C CB 1 ATOM 7089 C CG1 . VAL C 1 102 ? -12.040 -36.711 -12.985 1.00 42.42 ? 101 VAL C CG1 1 ATOM 7090 C CG2 . VAL C 1 102 ? -12.645 -37.451 -10.686 1.00 44.28 ? 101 VAL C CG2 1 ATOM 7091 N N . GLY C 1 103 ? -10.293 -33.590 -11.538 1.00 29.49 ? 102 GLY C N 1 ATOM 7092 C CA . GLY C 1 103 ? -9.826 -32.446 -12.327 1.00 26.40 ? 102 GLY C CA 1 ATOM 7093 C C . GLY C 1 103 ? -8.575 -31.780 -11.765 1.00 23.60 ? 102 GLY C C 1 ATOM 7094 O O . GLY C 1 103 ? -8.219 -30.704 -12.219 1.00 21.58 ? 102 GLY C O 1 ATOM 7095 N N . SER C 1 104 ? -7.900 -32.401 -10.799 1.00 22.22 ? 103 SER C N 1 ATOM 7096 C CA . SER C 1 104 ? -6.710 -31.779 -10.189 1.00 22.69 ? 103 SER C CA 1 ATOM 7097 C C . SER C 1 104 ? -5.558 -31.864 -11.178 1.00 22.34 ? 103 SER C C 1 ATOM 7098 O O . SER C 1 104 ? -5.135 -32.958 -11.537 1.00 23.99 ? 103 SER C O 1 ATOM 7099 C CB . SER C 1 104 ? -6.339 -32.448 -8.861 1.00 23.39 ? 103 SER C CB 1 ATOM 7100 O OG . SER C 1 104 ? -5.176 -31.849 -8.303 1.00 23.62 ? 103 SER C OG 1 ATOM 7101 N N . TYR C 1 105 ? -5.074 -30.725 -11.657 1.00 20.20 ? 104 TYR C N 1 ATOM 7102 C CA . TYR C 1 105 ? -4.144 -30.700 -12.774 1.00 19.36 ? 104 TYR C CA 1 ATOM 7103 C C . TYR C 1 105 ? -2.843 -29.986 -12.358 1.00 18.89 ? 104 TYR C C 1 ATOM 7104 O O . TYR C 1 105 ? -1.882 -30.646 -11.979 1.00 18.63 ? 104 TYR C O 1 ATOM 7105 C CB . TYR C 1 105 ? -4.817 -30.068 -13.993 1.00 18.63 ? 104 TYR C CB 1 ATOM 7106 C CG . TYR C 1 105 ? -3.966 -29.963 -15.227 1.00 18.06 ? 104 TYR C CG 1 ATOM 7107 C CD1 . TYR C 1 105 ? -3.211 -31.048 -15.678 1.00 18.88 ? 104 TYR C CD1 1 ATOM 7108 C CD2 . TYR C 1 105 ? -3.930 -28.788 -15.974 1.00 17.86 ? 104 TYR C CD2 1 ATOM 7109 C CE1 . TYR C 1 105 ? -2.434 -30.952 -16.832 1.00 18.77 ? 104 TYR C CE1 1 ATOM 7110 C CE2 . TYR C 1 105 ? -3.154 -28.674 -17.123 1.00 17.76 ? 104 TYR C CE2 1 ATOM 7111 C CZ . TYR C 1 105 ? -2.403 -29.752 -17.555 1.00 18.22 ? 104 TYR C CZ 1 ATOM 7112 O OH . TYR C 1 105 ? -1.620 -29.635 -18.685 1.00 17.80 ? 104 TYR C OH 1 ATOM 7113 N N . PHE C 1 106 ? -2.833 -28.667 -12.321 1.00 17.72 ? 105 PHE C N 1 ATOM 7114 C CA . PHE C 1 106 ? -1.674 -27.940 -11.793 1.00 17.97 ? 105 PHE C CA 1 ATOM 7115 C C . PHE C 1 106 ? -1.721 -27.717 -10.278 1.00 17.75 ? 105 PHE C C 1 ATOM 7116 O O . PHE C 1 106 ? -0.808 -27.091 -9.712 1.00 18.09 ? 105 PHE C O 1 ATOM 7117 C CB . PHE C 1 106 ? -1.512 -26.566 -12.476 1.00 18.82 ? 105 PHE C CB 1 ATOM 7118 C CG . PHE C 1 106 ? -0.636 -26.580 -13.697 1.00 20.11 ? 105 PHE C CG 1 ATOM 7119 C CD1 . PHE C 1 106 ? -1.171 -26.802 -14.919 1.00 22.50 ? 105 PHE C CD1 1 ATOM 7120 C CD2 . PHE C 1 106 ? 0.736 -26.340 -13.610 1.00 21.98 ? 105 PHE C CD2 1 ATOM 7121 C CE1 . PHE C 1 106 ? -0.375 -26.790 -16.073 1.00 23.53 ? 105 PHE C CE1 1 ATOM 7122 C CE2 . PHE C 1 106 ? 1.539 -26.330 -14.741 1.00 23.07 ? 105 PHE C CE2 1 ATOM 7123 C CZ . PHE C 1 106 ? 0.970 -26.560 -15.989 1.00 22.57 ? 105 PHE C CZ 1 ATOM 7124 N N . HIS C 1 107 ? -2.768 -28.190 -9.599 1.00 17.87 ? 106 HIS C N 1 ATOM 7125 C CA . HIS C 1 107 ? -2.915 -27.889 -8.177 1.00 18.39 ? 106 HIS C CA 1 ATOM 7126 C C . HIS C 1 107 ? -1.716 -28.299 -7.324 1.00 18.31 ? 106 HIS C C 1 ATOM 7127 O O . HIS C 1 107 ? -1.297 -27.524 -6.467 1.00 17.21 ? 106 HIS C O 1 ATOM 7128 C CB . HIS C 1 107 ? -4.172 -28.510 -7.580 1.00 19.48 ? 106 HIS C CB 1 ATOM 7129 C CG . HIS C 1 107 ? -4.405 -28.118 -6.152 1.00 21.12 ? 106 HIS C CG 1 ATOM 7130 N ND1 . HIS C 1 107 ? -4.481 -26.802 -5.751 1.00 21.22 ? 106 HIS C ND1 1 ATOM 7131 C CD2 . HIS C 1 107 ? -4.582 -28.866 -5.037 1.00 22.53 ? 106 HIS C CD2 1 ATOM 7132 C CE1 . HIS C 1 107 ? -4.684 -26.754 -4.448 1.00 22.62 ? 106 HIS C CE1 1 ATOM 7133 N NE2 . HIS C 1 107 ? -4.748 -27.997 -3.990 1.00 23.48 ? 106 HIS C NE2 1 ATOM 7134 N N . THR C 1 108 ? -1.206 -29.513 -7.507 1.00 17.94 ? 107 THR C N 1 ATOM 7135 C CA . THR C 1 108 ? -0.122 -29.972 -6.659 1.00 18.82 ? 107 THR C CA 1 ATOM 7136 C C . THR C 1 108 ? 1.078 -29.058 -6.861 1.00 18.82 ? 107 THR C C 1 ATOM 7137 O O . THR C 1 108 ? 1.727 -28.695 -5.894 1.00 19.10 ? 107 THR C O 1 ATOM 7138 C CB . THR C 1 108 ? 0.235 -31.460 -6.931 1.00 19.77 ? 107 THR C CB 1 ATOM 7139 O OG1 . THR C 1 108 ? -0.914 -32.268 -6.658 1.00 19.45 ? 107 THR C OG1 1 ATOM 7140 C CG2 . THR C 1 108 ? 1.367 -31.926 -6.054 1.00 20.59 ? 107 THR C CG2 1 ATOM 7141 N N . MET C 1 109 ? 1.372 -28.694 -8.108 1.00 18.71 ? 108 MET C N 1 ATOM 7142 C CA . MET C 1 109 ? 2.516 -27.837 -8.396 1.00 18.44 ? 108 MET C CA 1 ATOM 7143 C C . MET C 1 109 ? 2.346 -26.420 -7.823 1.00 18.28 ? 108 MET C C 1 ATOM 7144 O O . MET C 1 109 ? 3.261 -25.899 -7.216 1.00 17.88 ? 108 MET C O 1 ATOM 7145 C CB . MET C 1 109 ? 2.774 -27.741 -9.884 1.00 18.79 ? 108 MET C CB 1 ATOM 7146 C CG . MET C 1 109 ? 3.914 -26.799 -10.234 1.00 19.61 ? 108 MET C CG 1 ATOM 7147 S SD . MET C 1 109 ? 4.266 -26.751 -12.015 1.00 23.16 ? 108 MET C SD 1 ATOM 7148 C CE . MET C 1 109 ? 4.864 -28.406 -12.201 1.00 21.90 ? 108 MET C CE 1 ATOM 7149 N N . VAL C 1 110 ? 1.158 -25.835 -7.968 1.00 17.44 ? 109 VAL C N 1 ATOM 7150 C CA . VAL C 1 110 ? 0.898 -24.509 -7.402 1.00 17.88 ? 109 VAL C CA 1 ATOM 7151 C C . VAL C 1 110 ? 0.925 -24.525 -5.880 1.00 18.73 ? 109 VAL C C 1 ATOM 7152 O O . VAL C 1 110 ? 1.490 -23.609 -5.270 1.00 17.94 ? 109 VAL C O 1 ATOM 7153 C CB . VAL C 1 110 ? -0.408 -23.896 -7.916 1.00 17.70 ? 109 VAL C CB 1 ATOM 7154 C CG1 . VAL C 1 110 ? -0.676 -22.517 -7.264 1.00 18.42 ? 109 VAL C CG1 1 ATOM 7155 C CG2 . VAL C 1 110 ? -0.291 -23.723 -9.410 1.00 17.32 ? 109 VAL C CG2 1 ATOM 7156 N N . GLU C 1 111 ? 0.375 -25.564 -5.256 1.00 20.26 ? 110 GLU C N 1 ATOM 7157 C CA . GLU C 1 111 ? 0.504 -25.707 -3.800 1.00 23.77 ? 110 GLU C CA 1 ATOM 7158 C C . GLU C 1 111 ? 1.972 -25.683 -3.392 1.00 22.47 ? 110 GLU C C 1 ATOM 7159 O O . GLU C 1 111 ? 2.319 -25.086 -2.379 1.00 21.04 ? 110 GLU C O 1 ATOM 7160 C CB . GLU C 1 111 ? -0.108 -27.009 -3.285 1.00 28.16 ? 110 GLU C CB 1 ATOM 7161 C CG . GLU C 1 111 ? -1.610 -26.893 -3.204 1.00 33.37 ? 110 GLU C CG 1 ATOM 7162 C CD . GLU C 1 111 ? -2.044 -25.791 -2.172 1.00 37.66 ? 110 GLU C CD 1 ATOM 7163 O OE1 . GLU C 1 111 ? -2.875 -24.927 -2.503 1.00 38.85 ? 110 GLU C OE1 1 ATOM 7164 O OE2 . GLU C 1 111 ? -1.521 -25.690 -1.034 1.00 45.10 ? 110 GLU C OE2 1 ATOM 7165 N N . SER C 1 112 ? 2.809 -26.418 -4.123 1.00 21.17 ? 111 SER C N 1 ATOM 7166 C CA . SER C 1 112 ? 4.254 -26.435 -3.833 1.00 21.34 ? 111 SER C CA 1 ATOM 7167 C C . SER C 1 112 ? 4.876 -25.048 -3.974 1.00 19.97 ? 111 SER C C 1 ATOM 7168 O O . SER C 1 112 ? 5.606 -24.605 -3.071 1.00 19.72 ? 111 SER C O 1 ATOM 7169 C CB . SER C 1 112 ? 4.991 -27.416 -4.730 1.00 22.73 ? 111 SER C CB 1 ATOM 7170 O OG . SER C 1 112 ? 4.654 -28.751 -4.369 1.00 25.30 ? 111 SER C OG 1 ATOM 7171 N N . LEU C 1 113 ? 4.574 -24.375 -5.083 1.00 18.20 ? 112 LEU C N 1 ATOM 7172 C CA . LEU C 1 113 ? 5.084 -23.023 -5.334 1.00 18.36 ? 112 LEU C CA 1 ATOM 7173 C C . LEU C 1 113 ? 4.672 -22.067 -4.210 1.00 18.18 ? 112 LEU C C 1 ATOM 7174 O O . LEU C 1 113 ? 5.494 -21.331 -3.679 1.00 17.73 ? 112 LEU C O 1 ATOM 7175 C CB . LEU C 1 113 ? 4.597 -22.488 -6.667 1.00 18.12 ? 112 LEU C CB 1 ATOM 7176 C CG . LEU C 1 113 ? 5.242 -23.126 -7.897 1.00 19.35 ? 112 LEU C CG 1 ATOM 7177 C CD1 . LEU C 1 113 ? 4.393 -22.841 -9.122 1.00 19.18 ? 112 LEU C CD1 1 ATOM 7178 C CD2 . LEU C 1 113 ? 6.630 -22.588 -8.102 1.00 20.08 ? 112 LEU C CD2 1 ATOM 7179 N N . VAL C 1 114 ? 3.403 -22.128 -3.816 1.00 18.11 ? 113 VAL C N 1 ATOM 7180 C CA . VAL C 1 114 ? 2.896 -21.292 -2.734 1.00 19.14 ? 113 VAL C CA 1 ATOM 7181 C C . VAL C 1 114 ? 3.587 -21.631 -1.386 1.00 20.29 ? 113 VAL C C 1 ATOM 7182 O O . VAL C 1 114 ? 4.003 -20.741 -0.635 1.00 20.33 ? 113 VAL C O 1 ATOM 7183 C CB . VAL C 1 114 ? 1.360 -21.379 -2.686 1.00 19.37 ? 113 VAL C CB 1 ATOM 7184 C CG1 . VAL C 1 114 ? 0.820 -20.779 -1.395 1.00 20.59 ? 113 VAL C CG1 1 ATOM 7185 C CG2 . VAL C 1 114 ? 0.784 -20.679 -3.915 1.00 18.74 ? 113 VAL C CG2 1 ATOM 7186 N N . GLY C 1 115 ? 3.805 -22.924 -1.124 1.00 20.60 ? 114 GLY C N 1 ATOM 7187 C CA . GLY C 1 115 ? 4.585 -23.341 0.040 1.00 21.84 ? 114 GLY C CA 1 ATOM 7188 C C . GLY C 1 115 ? 6.018 -22.829 0.011 1.00 22.38 ? 114 GLY C C 1 ATOM 7189 O O . GLY C 1 115 ? 6.607 -22.629 1.059 1.00 23.53 ? 114 GLY C O 1 ATOM 7190 N N . TRP C 1 116 ? 6.570 -22.591 -1.184 1.00 21.80 ? 115 TRP C N 1 ATOM 7191 C CA . TRP C 1 116 ? 7.923 -22.009 -1.351 1.00 22.28 ? 115 TRP C CA 1 ATOM 7192 C C . TRP C 1 116 ? 7.929 -20.489 -1.317 1.00 21.84 ? 115 TRP C C 1 ATOM 7193 O O . TRP C 1 116 ? 8.989 -19.881 -1.428 1.00 23.77 ? 115 TRP C O 1 ATOM 7194 C CB . TRP C 1 116 ? 8.563 -22.446 -2.683 1.00 22.65 ? 115 TRP C CB 1 ATOM 7195 C CG . TRP C 1 116 ? 8.684 -23.895 -2.852 1.00 23.30 ? 115 TRP C CG 1 ATOM 7196 C CD1 . TRP C 1 116 ? 8.739 -24.839 -1.868 1.00 24.56 ? 115 TRP C CD1 1 ATOM 7197 C CD2 . TRP C 1 116 ? 8.756 -24.600 -4.090 1.00 22.98 ? 115 TRP C CD2 1 ATOM 7198 N NE1 . TRP C 1 116 ? 8.805 -26.091 -2.431 1.00 25.43 ? 115 TRP C NE1 1 ATOM 7199 C CE2 . TRP C 1 116 ? 8.821 -25.974 -3.788 1.00 24.16 ? 115 TRP C CE2 1 ATOM 7200 C CE3 . TRP C 1 116 ? 8.748 -24.204 -5.431 1.00 23.10 ? 115 TRP C CE3 1 ATOM 7201 C CZ2 . TRP C 1 116 ? 8.899 -26.965 -4.785 1.00 24.67 ? 115 TRP C CZ2 1 ATOM 7202 C CZ3 . TRP C 1 116 ? 8.806 -25.182 -6.420 1.00 22.81 ? 115 TRP C CZ3 1 ATOM 7203 C CH2 . TRP C 1 116 ? 8.878 -26.550 -6.084 1.00 23.73 ? 115 TRP C CH2 1 ATOM 7204 N N . GLY C 1 117 ? 6.761 -19.868 -1.175 1.00 20.73 ? 116 GLY C N 1 ATOM 7205 C CA . GLY C 1 117 ? 6.685 -18.434 -1.016 1.00 20.50 ? 116 GLY C CA 1 ATOM 7206 C C . GLY C 1 117 ? 6.034 -17.648 -2.132 1.00 19.34 ? 116 GLY C C 1 ATOM 7207 O O . GLY C 1 117 ? 5.981 -16.414 -2.039 1.00 19.80 ? 116 GLY C O 1 ATOM 7208 N N . TYR C 1 118 ? 5.509 -18.331 -3.152 1.00 18.56 ? 117 TYR C N 1 ATOM 7209 C CA . TYR C 1 118 ? 4.819 -17.672 -4.258 1.00 17.32 ? 117 TYR C CA 1 ATOM 7210 C C . TYR C 1 118 ? 3.407 -17.285 -3.867 1.00 17.50 ? 117 TYR C C 1 ATOM 7211 O O . TYR C 1 118 ? 2.849 -17.861 -2.942 1.00 17.00 ? 117 TYR C O 1 ATOM 7212 C CB . TYR C 1 118 ? 4.801 -18.569 -5.520 1.00 17.33 ? 117 TYR C CB 1 ATOM 7213 C CG . TYR C 1 118 ? 6.132 -18.570 -6.250 1.00 17.68 ? 117 TYR C CG 1 ATOM 7214 C CD1 . TYR C 1 118 ? 7.171 -19.415 -5.859 1.00 18.43 ? 117 TYR C CD1 1 ATOM 7215 C CD2 . TYR C 1 118 ? 6.369 -17.696 -7.299 1.00 18.10 ? 117 TYR C CD2 1 ATOM 7216 C CE1 . TYR C 1 118 ? 8.403 -19.409 -6.514 1.00 19.29 ? 117 TYR C CE1 1 ATOM 7217 C CE2 . TYR C 1 118 ? 7.603 -17.688 -7.972 1.00 18.51 ? 117 TYR C CE2 1 ATOM 7218 C CZ . TYR C 1 118 ? 8.630 -18.517 -7.555 1.00 19.35 ? 117 TYR C CZ 1 ATOM 7219 O OH . TYR C 1 118 ? 9.877 -18.500 -8.218 1.00 19.96 ? 117 TYR C OH 1 ATOM 7220 N N . THR C 1 119 ? 2.860 -16.329 -4.609 1.00 16.52 ? 118 THR C N 1 ATOM 7221 C CA . THR C 1 119 ? 1.544 -15.734 -4.345 1.00 16.41 ? 118 THR C CA 1 ATOM 7222 C C . THR C 1 119 ? 0.703 -15.782 -5.636 1.00 15.90 ? 118 THR C C 1 ATOM 7223 O O . THR C 1 119 ? 1.105 -15.216 -6.645 1.00 15.54 ? 118 THR C O 1 ATOM 7224 C CB . THR C 1 119 ? 1.697 -14.275 -3.863 1.00 16.52 ? 118 THR C CB 1 ATOM 7225 O OG1 . THR C 1 119 ? 2.424 -14.255 -2.626 1.00 16.82 ? 118 THR C OG1 1 ATOM 7226 C CG2 . THR C 1 119 ? 0.337 -13.633 -3.622 1.00 16.86 ? 118 THR C CG2 1 ATOM 7227 N N . ARG C 1 120 ? -0.424 -16.485 -5.596 1.00 16.02 ? 119 ARG C N 1 ATOM 7228 C CA . ARG C 1 120 ? -1.271 -16.661 -6.761 1.00 16.70 ? 119 ARG C CA 1 ATOM 7229 C C . ARG C 1 120 ? -1.698 -15.319 -7.303 1.00 16.75 ? 119 ARG C C 1 ATOM 7230 O O . ARG C 1 120 ? -2.150 -14.452 -6.562 1.00 17.21 ? 119 ARG C O 1 ATOM 7231 C CB . ARG C 1 120 ? -2.509 -17.495 -6.418 1.00 17.87 ? 119 ARG C CB 1 ATOM 7232 C CG . ARG C 1 120 ? -2.280 -18.979 -6.153 1.00 18.04 ? 119 ARG C CG 1 ATOM 7233 C CD . ARG C 1 120 ? -3.586 -19.596 -5.614 1.00 19.03 ? 119 ARG C CD 1 ATOM 7234 N NE . ARG C 1 120 ? -3.495 -21.034 -5.470 1.00 19.56 ? 119 ARG C NE 1 ATOM 7235 C CZ . ARG C 1 120 ? -3.128 -21.686 -4.369 1.00 21.18 ? 119 ARG C CZ 1 ATOM 7236 N NH1 . ARG C 1 120 ? -2.779 -21.048 -3.252 1.00 22.42 ? 119 ARG C NH1 1 ATOM 7237 N NH2 . ARG C 1 120 ? -3.104 -23.025 -4.385 1.00 22.08 ? 119 ARG C NH2 1 ATOM 7238 N N . GLY C 1 121 ? -1.533 -15.146 -8.594 1.00 16.26 ? 120 GLY C N 1 ATOM 7239 C CA . GLY C 1 121 ? -1.989 -13.935 -9.244 1.00 16.98 ? 120 GLY C CA 1 ATOM 7240 C C . GLY C 1 121 ? -0.997 -12.808 -9.198 1.00 18.23 ? 120 GLY C C 1 ATOM 7241 O O . GLY C 1 121 ? -1.249 -11.761 -9.788 1.00 17.91 ? 120 GLY C O 1 ATOM 7242 N N . GLU C 1 122 ? 0.105 -12.993 -8.458 1.00 18.79 ? 121 GLU C N 1 ATOM 7243 C CA . GLU C 1 122 ? 1.135 -11.987 -8.329 1.00 19.61 ? 121 GLU C CA 1 ATOM 7244 C C . GLU C 1 122 ? 2.400 -12.533 -9.009 1.00 17.84 ? 121 GLU C C 1 ATOM 7245 O O . GLU C 1 122 ? 2.524 -12.403 -10.234 1.00 16.91 ? 121 GLU C O 1 ATOM 7246 C CB . GLU C 1 122 ? 1.344 -11.585 -6.864 1.00 22.99 ? 121 GLU C CB 1 ATOM 7247 C CG . GLU C 1 122 ? 0.115 -10.848 -6.317 1.00 27.27 ? 121 GLU C CG 1 ATOM 7248 C CD . GLU C 1 122 ? 0.422 -10.075 -5.039 1.00 35.65 ? 121 GLU C CD 1 ATOM 7249 O OE1 . GLU C 1 122 ? 1.615 -10.022 -4.660 1.00 43.25 ? 121 GLU C OE1 1 ATOM 7250 O OE2 . GLU C 1 122 ? -0.499 -9.541 -4.374 1.00 39.70 ? 121 GLU C OE2 1 ATOM 7251 N N . ASP C 1 123 ? 3.265 -13.216 -8.268 1.00 16.55 ? 122 ASP C N 1 ATOM 7252 C CA . ASP C 1 123 ? 4.510 -13.728 -8.874 1.00 16.65 ? 122 ASP C CA 1 ATOM 7253 C C . ASP C 1 123 ? 4.407 -15.153 -9.448 1.00 16.10 ? 122 ASP C C 1 ATOM 7254 O O . ASP C 1 123 ? 5.379 -15.657 -10.025 1.00 15.31 ? 122 ASP C O 1 ATOM 7255 C CB . ASP C 1 123 ? 5.697 -13.560 -7.927 1.00 17.63 ? 122 ASP C CB 1 ATOM 7256 C CG . ASP C 1 123 ? 5.488 -14.222 -6.581 1.00 18.68 ? 122 ASP C CG 1 ATOM 7257 O OD1 . ASP C 1 123 ? 4.418 -14.835 -6.362 1.00 19.05 ? 122 ASP C OD1 1 ATOM 7258 O OD2 . ASP C 1 123 ? 6.388 -14.101 -5.733 1.00 20.01 ? 122 ASP C OD2 1 ATOM 7259 N N . VAL C 1 124 ? 3.243 -15.802 -9.312 1.00 15.14 ? 123 VAL C N 1 ATOM 7260 C CA . VAL C 1 124 ? 2.912 -16.979 -10.125 1.00 15.20 ? 123 VAL C CA 1 ATOM 7261 C C . VAL C 1 124 ? 1.564 -16.732 -10.783 1.00 15.12 ? 123 VAL C C 1 ATOM 7262 O O . VAL C 1 124 ? 0.573 -16.415 -10.120 1.00 15.03 ? 123 VAL C O 1 ATOM 7263 C CB . VAL C 1 124 ? 2.933 -18.338 -9.373 1.00 16.12 ? 123 VAL C CB 1 ATOM 7264 C CG1 . VAL C 1 124 ? 1.966 -18.341 -8.189 1.00 17.17 ? 123 VAL C CG1 1 ATOM 7265 C CG2 . VAL C 1 124 ? 2.632 -19.467 -10.340 1.00 16.02 ? 123 VAL C CG2 1 ATOM 7266 N N . ARG C 1 125 ? 1.545 -16.809 -12.106 1.00 14.54 ? 124 ARG C N 1 ATOM 7267 C CA . ARG C 1 125 ? 0.328 -16.550 -12.877 1.00 15.04 ? 124 ARG C CA 1 ATOM 7268 C C . ARG C 1 125 ? 0.139 -17.619 -13.955 1.00 14.84 ? 124 ARG C C 1 ATOM 7269 O O . ARG C 1 125 ? 1.111 -18.132 -14.514 1.00 15.24 ? 124 ARG C O 1 ATOM 7270 C CB . ARG C 1 125 ? 0.380 -15.177 -13.541 1.00 15.24 ? 124 ARG C CB 1 ATOM 7271 C CG . ARG C 1 125 ? 0.574 -14.017 -12.583 1.00 16.80 ? 124 ARG C CG 1 ATOM 7272 C CD . ARG C 1 125 ? 0.405 -12.660 -13.245 1.00 17.23 ? 124 ARG C CD 1 ATOM 7273 N NE . ARG C 1 125 ? 0.895 -11.592 -12.384 1.00 18.25 ? 124 ARG C NE 1 ATOM 7274 C CZ . ARG C 1 125 ? 0.803 -10.293 -12.663 1.00 19.78 ? 124 ARG C CZ 1 ATOM 7275 N NH1 . ARG C 1 125 ? 0.197 -9.914 -13.784 1.00 21.34 ? 124 ARG C NH1 1 ATOM 7276 N NH2 . ARG C 1 125 ? 1.324 -9.380 -11.839 1.00 19.80 ? 124 ARG C NH2 1 ATOM 7277 N N . GLY C 1 126 ? -1.111 -17.961 -14.224 1.00 14.74 ? 125 GLY C N 1 ATOM 7278 C CA . GLY C 1 126 ? -1.442 -18.863 -15.328 1.00 15.11 ? 125 GLY C CA 1 ATOM 7279 C C . GLY C 1 126 ? -1.694 -18.148 -16.638 1.00 14.78 ? 125 GLY C C 1 ATOM 7280 O O . GLY C 1 126 ? -2.161 -16.992 -16.661 1.00 14.53 ? 125 GLY C O 1 ATOM 7281 N N . ALA C 1 127 ? -1.404 -18.861 -17.733 1.00 13.78 ? 126 ALA C N 1 ATOM 7282 C CA . ALA C 1 127 ? -1.681 -18.399 -19.066 1.00 13.90 ? 126 ALA C CA 1 ATOM 7283 C C . ALA C 1 127 ? -2.586 -19.414 -19.783 1.00 13.99 ? 126 ALA C C 1 ATOM 7284 O O . ALA C 1 127 ? -2.177 -20.069 -20.752 1.00 14.30 ? 126 ALA C O 1 ATOM 7285 C CB . ALA C 1 127 ? -0.389 -18.159 -19.823 1.00 13.84 ? 126 ALA C CB 1 ATOM 7286 N N . PRO C 1 128 ? -3.823 -19.585 -19.270 1.00 14.03 ? 127 PRO C N 1 ATOM 7287 C CA . PRO C 1 128 ? -4.809 -20.452 -19.957 1.00 14.25 ? 127 PRO C CA 1 ATOM 7288 C C . PRO C 1 128 ? -5.234 -19.924 -21.339 1.00 14.17 ? 127 PRO C C 1 ATOM 7289 O O . PRO C 1 128 ? -5.160 -18.721 -21.612 1.00 14.20 ? 127 PRO C O 1 ATOM 7290 C CB . PRO C 1 128 ? -6.018 -20.435 -18.996 1.00 14.30 ? 127 PRO C CB 1 ATOM 7291 C CG . PRO C 1 128 ? -5.937 -19.086 -18.371 1.00 14.57 ? 127 PRO C CG 1 ATOM 7292 C CD . PRO C 1 128 ? -4.453 -18.867 -18.147 1.00 14.23 ? 127 PRO C CD 1 ATOM 7293 N N . TYR C 1 129 ? -5.687 -20.835 -22.197 1.00 13.91 ? 128 TYR C N 1 ATOM 7294 C CA . TYR C 1 129 ? -6.057 -20.476 -23.561 1.00 14.51 ? 128 TYR C CA 1 ATOM 7295 C C . TYR C 1 129 ? -7.131 -21.404 -24.077 1.00 14.69 ? 128 TYR C C 1 ATOM 7296 O O . TYR C 1 129 ? -7.442 -22.428 -23.443 1.00 14.02 ? 128 TYR C O 1 ATOM 7297 C CB . TYR C 1 129 ? -4.829 -20.472 -24.501 1.00 14.25 ? 128 TYR C CB 1 ATOM 7298 C CG . TYR C 1 129 ? -4.074 -21.781 -24.536 1.00 14.21 ? 128 TYR C CG 1 ATOM 7299 C CD1 . TYR C 1 129 ? -3.143 -22.101 -23.544 1.00 14.39 ? 128 TYR C CD1 1 ATOM 7300 C CD2 . TYR C 1 129 ? -4.288 -22.725 -25.554 1.00 13.81 ? 128 TYR C CD2 1 ATOM 7301 C CE1 . TYR C 1 129 ? -2.456 -23.317 -23.577 1.00 15.00 ? 128 TYR C CE1 1 ATOM 7302 C CE2 . TYR C 1 129 ? -3.616 -23.935 -25.580 1.00 13.49 ? 128 TYR C CE2 1 ATOM 7303 C CZ . TYR C 1 129 ? -2.694 -24.236 -24.604 1.00 14.56 ? 128 TYR C CZ 1 ATOM 7304 O OH . TYR C 1 129 ? -2.023 -25.468 -24.598 1.00 14.89 ? 128 TYR C OH 1 ATOM 7305 N N . ASP C 1 130 ? -7.705 -21.053 -25.229 1.00 14.73 ? 129 ASP C N 1 ATOM 7306 C CA . ASP C 1 130 ? -8.690 -21.934 -25.856 1.00 15.37 ? 129 ASP C CA 1 ATOM 7307 C C . ASP C 1 130 ? -7.903 -23.046 -26.573 1.00 14.74 ? 129 ASP C C 1 ATOM 7308 O O . ASP C 1 130 ? -7.497 -22.907 -27.735 1.00 14.69 ? 129 ASP C O 1 ATOM 7309 C CB . ASP C 1 130 ? -9.572 -21.161 -26.834 1.00 16.70 ? 129 ASP C CB 1 ATOM 7310 C CG . ASP C 1 130 ? -10.702 -22.012 -27.381 1.00 18.11 ? 129 ASP C CG 1 ATOM 7311 O OD1 . ASP C 1 130 ? -10.653 -23.279 -27.254 1.00 17.41 ? 129 ASP C OD1 1 ATOM 7312 O OD2 . ASP C 1 130 ? -11.664 -21.411 -27.911 1.00 19.10 ? 129 ASP C OD2 1 ATOM 7313 N N . TRP C 1 131 ? -7.704 -24.145 -25.856 1.00 14.46 ? 130 TRP C N 1 ATOM 7314 C CA . TRP C 1 131 ? -6.871 -25.260 -26.309 1.00 14.53 ? 130 TRP C CA 1 ATOM 7315 C C . TRP C 1 131 ? -7.501 -26.092 -27.444 1.00 14.90 ? 130 TRP C C 1 ATOM 7316 O O . TRP C 1 131 ? -6.867 -27.026 -27.939 1.00 14.37 ? 130 TRP C O 1 ATOM 7317 C CB . TRP C 1 131 ? -6.488 -26.165 -25.125 1.00 15.15 ? 130 TRP C CB 1 ATOM 7318 C CG . TRP C 1 131 ? -7.569 -26.323 -24.111 1.00 15.28 ? 130 TRP C CG 1 ATOM 7319 C CD1 . TRP C 1 131 ? -7.647 -25.682 -22.885 1.00 15.81 ? 130 TRP C CD1 1 ATOM 7320 C CD2 . TRP C 1 131 ? -8.771 -27.089 -24.232 1.00 15.26 ? 130 TRP C CD2 1 ATOM 7321 N NE1 . TRP C 1 131 ? -8.781 -26.048 -22.237 1.00 15.66 ? 130 TRP C NE1 1 ATOM 7322 C CE2 . TRP C 1 131 ? -9.502 -26.900 -23.031 1.00 15.42 ? 130 TRP C CE2 1 ATOM 7323 C CE3 . TRP C 1 131 ? -9.294 -27.954 -25.220 1.00 15.42 ? 130 TRP C CE3 1 ATOM 7324 C CZ2 . TRP C 1 131 ? -10.747 -27.503 -22.795 1.00 15.79 ? 130 TRP C CZ2 1 ATOM 7325 C CZ3 . TRP C 1 131 ? -10.530 -28.584 -24.973 1.00 16.55 ? 130 TRP C CZ3 1 ATOM 7326 C CH2 . TRP C 1 131 ? -11.241 -28.346 -23.772 1.00 16.58 ? 130 TRP C CH2 1 ATOM 7327 N N . ARG C 1 132 ? -8.726 -25.748 -27.870 1.00 14.94 ? 131 ARG C N 1 ATOM 7328 C CA . ARG C 1 132 ? -9.325 -26.388 -29.037 1.00 15.85 ? 131 ARG C CA 1 ATOM 7329 C C . ARG C 1 132 ? -8.687 -25.889 -30.323 1.00 16.05 ? 131 ARG C C 1 ATOM 7330 O O . ARG C 1 132 ? -8.737 -26.564 -31.356 1.00 15.91 ? 131 ARG C O 1 ATOM 7331 C CB . ARG C 1 132 ? -10.832 -26.122 -29.075 1.00 16.49 ? 131 ARG C CB 1 ATOM 7332 C CG . ARG C 1 132 ? -11.573 -26.682 -27.865 1.00 16.86 ? 131 ARG C CG 1 ATOM 7333 C CD . ARG C 1 132 ? -13.002 -26.178 -27.801 1.00 16.98 ? 131 ARG C CD 1 ATOM 7334 N NE . ARG C 1 132 ? -13.057 -24.721 -27.823 1.00 17.80 ? 131 ARG C NE 1 ATOM 7335 C CZ . ARG C 1 132 ? -14.142 -24.003 -28.098 1.00 20.03 ? 131 ARG C CZ 1 ATOM 7336 N NH1 . ARG C 1 132 ? -15.302 -24.604 -28.368 1.00 20.07 ? 131 ARG C NH1 1 ATOM 7337 N NH2 . ARG C 1 132 ? -14.065 -22.672 -28.123 1.00 20.94 ? 131 ARG C NH2 1 ATOM 7338 N N . ARG C 1 133 ? -8.096 -24.700 -30.261 1.00 16.57 ? 132 ARG C N 1 ATOM 7339 C CA . ARG C 1 133 ? -7.482 -24.062 -31.395 1.00 17.40 ? 132 ARG C CA 1 ATOM 7340 C C . ARG C 1 133 ? -5.967 -24.216 -31.352 1.00 17.43 ? 132 ARG C C 1 ATOM 7341 O O . ARG C 1 133 ? -5.377 -24.461 -30.295 1.00 17.52 ? 132 ARG C O 1 ATOM 7342 C CB . ARG C 1 133 ? -7.869 -22.582 -31.437 1.00 18.80 ? 132 ARG C CB 1 ATOM 7343 C CG . ARG C 1 133 ? -9.298 -22.413 -31.907 1.00 21.02 ? 132 ARG C CG 1 ATOM 7344 C CD . ARG C 1 133 ? -9.872 -21.043 -31.634 1.00 23.97 ? 132 ARG C CD 1 ATOM 7345 N NE . ARG C 1 133 ? -10.951 -20.771 -32.590 1.00 25.39 ? 132 ARG C NE 1 ATOM 7346 C CZ . ARG C 1 133 ? -11.761 -19.727 -32.529 1.00 28.25 ? 132 ARG C CZ 1 ATOM 7347 N NH1 . ARG C 1 133 ? -11.654 -18.843 -31.547 1.00 29.61 ? 132 ARG C NH1 1 ATOM 7348 N NH2 . ARG C 1 133 ? -12.692 -19.574 -33.453 1.00 29.31 ? 132 ARG C NH2 1 ATOM 7349 N N . ALA C 1 134 ? -5.362 -24.065 -32.523 1.00 16.93 ? 133 ALA C N 1 ATOM 7350 C CA . ALA C 1 134 ? -3.930 -24.033 -32.648 1.00 17.17 ? 133 ALA C CA 1 ATOM 7351 C C . ALA C 1 134 ? -3.492 -22.586 -32.606 1.00 17.49 ? 133 ALA C C 1 ATOM 7352 O O . ALA C 1 134 ? -4.324 -21.657 -32.630 1.00 17.69 ? 133 ALA C O 1 ATOM 7353 C CB . ALA C 1 134 ? -3.499 -24.702 -33.950 1.00 17.89 ? 133 ALA C CB 1 ATOM 7354 N N . PRO C 1 135 ? -2.187 -22.345 -32.552 1.00 16.81 ? 134 PRO C N 1 ATOM 7355 C CA . PRO C 1 135 ? -1.754 -20.943 -32.378 1.00 17.19 ? 134 PRO C CA 1 ATOM 7356 C C . PRO C 1 135 ? -2.194 -19.917 -33.416 1.00 18.10 ? 134 PRO C C 1 ATOM 7357 O O . PRO C 1 135 ? -2.270 -18.702 -33.084 1.00 18.72 ? 134 PRO C O 1 ATOM 7358 C CB . PRO C 1 135 ? -0.225 -21.061 -32.338 1.00 16.64 ? 134 PRO C CB 1 ATOM 7359 C CG . PRO C 1 135 ? -0.023 -22.415 -31.738 1.00 16.62 ? 134 PRO C CG 1 ATOM 7360 C CD . PRO C 1 135 ? -1.080 -23.286 -32.344 1.00 16.52 ? 134 PRO C CD 1 ATOM 7361 N N . ASN C 1 136 ? -2.472 -20.364 -34.645 1.00 19.04 ? 135 ASN C N 1 ATOM 7362 C CA . ASN C 1 136 ? -2.886 -19.458 -35.708 1.00 20.63 ? 135 ASN C CA 1 ATOM 7363 C C . ASN C 1 136 ? -4.191 -18.727 -35.389 1.00 21.38 ? 135 ASN C C 1 ATOM 7364 O O . ASN C 1 136 ? -4.451 -17.680 -35.965 1.00 21.36 ? 135 ASN C O 1 ATOM 7365 C CB . ASN C 1 136 ? -3.025 -20.185 -37.066 1.00 21.23 ? 135 ASN C CB 1 ATOM 7366 C CG . ASN C 1 136 ? -4.038 -21.329 -37.039 1.00 21.81 ? 135 ASN C CG 1 ATOM 7367 O OD1 . ASN C 1 136 ? -4.139 -22.073 -36.073 1.00 21.57 ? 135 ASN C OD1 1 ATOM 7368 N ND2 . ASN C 1 136 ? -4.782 -21.491 -38.130 1.00 22.58 ? 135 ASN C ND2 1 ATOM 7369 N N . GLU C 1 137 ? -5.000 -19.290 -34.490 1.00 20.91 ? 136 GLU C N 1 ATOM 7370 C CA . GLU C 1 137 ? -6.244 -18.663 -34.095 1.00 22.47 ? 136 GLU C CA 1 ATOM 7371 C C . GLU C 1 137 ? -6.259 -18.202 -32.624 1.00 22.37 ? 136 GLU C C 1 ATOM 7372 O O . GLU C 1 137 ? -7.319 -18.066 -32.029 1.00 24.09 ? 136 GLU C O 1 ATOM 7373 C CB . GLU C 1 137 ? -7.403 -19.623 -34.394 1.00 23.25 ? 136 GLU C CB 1 ATOM 7374 C CG . GLU C 1 137 ? -7.544 -19.873 -35.892 1.00 25.74 ? 136 GLU C CG 1 ATOM 7375 C CD . GLU C 1 137 ? -8.780 -20.668 -36.272 1.00 28.16 ? 136 GLU C CD 1 ATOM 7376 O OE1 . GLU C 1 137 ? -8.910 -21.867 -35.921 1.00 28.38 ? 136 GLU C OE1 1 ATOM 7377 O OE2 . GLU C 1 137 ? -9.640 -20.067 -36.934 1.00 32.68 ? 136 GLU C OE2 1 ATOM 7378 N N . ASN C 1 138 ? -5.090 -17.956 -32.054 1.00 20.77 ? 137 ASN C N 1 ATOM 7379 C CA . ASN C 1 138 ? -4.974 -17.488 -30.691 1.00 19.91 ? 137 ASN C CA 1 ATOM 7380 C C . ASN C 1 138 ? -4.030 -16.281 -30.591 1.00 20.23 ? 137 ASN C C 1 ATOM 7381 O O . ASN C 1 138 ? -3.327 -16.106 -29.608 1.00 19.67 ? 137 ASN C O 1 ATOM 7382 C CB . ASN C 1 138 ? -4.554 -18.652 -29.763 1.00 19.60 ? 137 ASN C CB 1 ATOM 7383 C CG . ASN C 1 138 ? -5.728 -19.244 -29.022 1.00 20.72 ? 137 ASN C CG 1 ATOM 7384 O OD1 . ASN C 1 138 ? -6.613 -18.497 -28.601 1.00 24.16 ? 137 ASN C OD1 1 ATOM 7385 N ND2 . ASN C 1 138 ? -5.782 -20.563 -28.890 1.00 18.87 ? 137 ASN C ND2 1 ATOM 7386 N N . GLY C 1 139 ? -4.060 -15.431 -31.619 1.00 20.87 ? 138 GLY C N 1 ATOM 7387 C CA . GLY C 1 139 ? -3.261 -14.197 -31.653 1.00 20.90 ? 138 GLY C CA 1 ATOM 7388 C C . GLY C 1 139 ? -3.409 -13.336 -30.411 1.00 20.27 ? 138 GLY C C 1 ATOM 7389 O O . GLY C 1 139 ? -2.407 -12.928 -29.814 1.00 19.88 ? 138 GLY C O 1 ATOM 7390 N N . PRO C 1 140 ? -4.657 -13.037 -30.006 1.00 20.16 ? 139 PRO C N 1 ATOM 7391 C CA . PRO C 1 140 ? -4.850 -12.195 -28.809 1.00 20.16 ? 139 PRO C CA 1 ATOM 7392 C C . PRO C 1 140 ? -4.211 -12.773 -27.519 1.00 18.82 ? 139 PRO C C 1 ATOM 7393 O O . PRO C 1 140 ? -3.640 -12.026 -26.702 1.00 17.23 ? 139 PRO C O 1 ATOM 7394 C CB . PRO C 1 140 ? -6.372 -12.084 -28.714 1.00 21.12 ? 139 PRO C CB 1 ATOM 7395 C CG . PRO C 1 140 ? -6.817 -12.193 -30.155 1.00 22.09 ? 139 PRO C CG 1 ATOM 7396 C CD . PRO C 1 140 ? -5.918 -13.240 -30.752 1.00 21.25 ? 139 PRO C CD 1 ATOM 7397 N N . TYR C 1 141 ? -4.264 -14.094 -27.371 1.00 17.11 ? 140 TYR C N 1 ATOM 7398 C CA . TYR C 1 141 ? -3.592 -14.761 -26.264 1.00 16.77 ? 140 TYR C CA 1 ATOM 7399 C C . TYR C 1 141 ? -2.109 -14.442 -26.222 1.00 16.02 ? 140 TYR C C 1 ATOM 7400 O O . TYR C 1 141 ? -1.567 -14.137 -25.144 1.00 15.95 ? 140 TYR C O 1 ATOM 7401 C CB . TYR C 1 141 ? -3.788 -16.278 -26.372 1.00 16.19 ? 140 TYR C CB 1 ATOM 7402 C CG . TYR C 1 141 ? -2.918 -17.105 -25.467 1.00 15.51 ? 140 TYR C CG 1 ATOM 7403 C CD1 . TYR C 1 141 ? -3.252 -17.278 -24.109 1.00 15.01 ? 140 TYR C CD1 1 ATOM 7404 C CD2 . TYR C 1 141 ? -1.751 -17.701 -25.934 1.00 14.75 ? 140 TYR C CD2 1 ATOM 7405 C CE1 . TYR C 1 141 ? -2.454 -18.033 -23.278 1.00 14.80 ? 140 TYR C CE1 1 ATOM 7406 C CE2 . TYR C 1 141 ? -0.959 -18.465 -25.100 1.00 14.24 ? 140 TYR C CE2 1 ATOM 7407 C CZ . TYR C 1 141 ? -1.313 -18.636 -23.776 1.00 14.17 ? 140 TYR C CZ 1 ATOM 7408 O OH . TYR C 1 141 ? -0.541 -19.432 -22.950 1.00 14.31 ? 140 TYR C OH 1 ATOM 7409 N N . PHE C 1 142 ? -1.440 -14.503 -27.373 1.00 15.66 ? 141 PHE C N 1 ATOM 7410 C CA . PHE C 1 142 ? 0.016 -14.282 -27.391 1.00 15.42 ? 141 PHE C CA 1 ATOM 7411 C C . PHE C 1 142 ? 0.353 -12.830 -27.077 1.00 16.35 ? 141 PHE C C 1 ATOM 7412 O O . PHE C 1 142 ? 1.395 -12.552 -26.450 1.00 15.38 ? 141 PHE C O 1 ATOM 7413 C CB . PHE C 1 142 ? 0.650 -14.729 -28.697 1.00 15.95 ? 141 PHE C CB 1 ATOM 7414 C CG . PHE C 1 142 ? 0.561 -16.208 -28.915 1.00 15.47 ? 141 PHE C CG 1 ATOM 7415 C CD1 . PHE C 1 142 ? 1.247 -17.075 -28.097 1.00 15.51 ? 141 PHE C CD1 1 ATOM 7416 C CD2 . PHE C 1 142 ? -0.273 -16.735 -29.890 1.00 16.20 ? 141 PHE C CD2 1 ATOM 7417 C CE1 . PHE C 1 142 ? 1.123 -18.444 -28.251 1.00 15.51 ? 141 PHE C CE1 1 ATOM 7418 C CE2 . PHE C 1 142 ? -0.389 -18.110 -30.066 1.00 15.89 ? 141 PHE C CE2 1 ATOM 7419 C CZ . PHE C 1 142 ? 0.319 -18.964 -29.242 1.00 15.51 ? 141 PHE C CZ 1 ATOM 7420 N N . LEU C 1 143 ? -0.497 -11.900 -27.503 1.00 16.35 ? 142 LEU C N 1 ATOM 7421 C CA . LEU C 1 143 ? -0.288 -10.492 -27.102 1.00 18.81 ? 142 LEU C CA 1 ATOM 7422 C C . LEU C 1 143 ? -0.422 -10.307 -25.592 1.00 17.87 ? 142 LEU C C 1 ATOM 7423 O O . LEU C 1 143 ? 0.410 -9.657 -24.982 1.00 17.07 ? 142 LEU C O 1 ATOM 7424 C CB . LEU C 1 143 ? -1.240 -9.555 -27.831 1.00 21.60 ? 142 LEU C CB 1 ATOM 7425 C CG . LEU C 1 143 ? -1.142 -8.063 -27.448 1.00 25.16 ? 142 LEU C CG 1 ATOM 7426 C CD1 . LEU C 1 143 ? 0.267 -7.514 -27.693 1.00 27.19 ? 142 LEU C CD1 1 ATOM 7427 C CD2 . LEU C 1 143 ? -2.173 -7.141 -28.126 1.00 27.73 ? 142 LEU C CD2 1 ATOM 7428 N N . ALA C 1 144 ? -1.455 -10.903 -25.005 1.00 16.68 ? 143 ALA C N 1 ATOM 7429 C CA . ALA C 1 144 ? -1.661 -10.836 -23.557 1.00 16.74 ? 143 ALA C CA 1 ATOM 7430 C C . ALA C 1 144 ? -0.524 -11.514 -22.797 1.00 16.84 ? 143 ALA C C 1 ATOM 7431 O O . ALA C 1 144 ? -0.114 -11.026 -21.748 1.00 16.98 ? 143 ALA C O 1 ATOM 7432 C CB . ALA C 1 144 ? -2.975 -11.483 -23.187 1.00 17.02 ? 143 ALA C CB 1 ATOM 7433 N N . LEU C 1 145 ? -0.037 -12.639 -23.306 1.00 15.63 ? 144 LEU C N 1 ATOM 7434 C CA . LEU C 1 145 ? 1.092 -13.320 -22.685 1.00 15.74 ? 144 LEU C CA 1 ATOM 7435 C C . LEU C 1 145 ? 2.347 -12.458 -22.676 1.00 16.15 ? 144 LEU C C 1 ATOM 7436 O O . LEU C 1 145 ? 3.030 -12.320 -21.641 1.00 15.43 ? 144 LEU C O 1 ATOM 7437 C CB . LEU C 1 145 ? 1.357 -14.645 -23.413 1.00 16.02 ? 144 LEU C CB 1 ATOM 7438 C CG . LEU C 1 145 ? 2.539 -15.508 -22.967 1.00 16.62 ? 144 LEU C CG 1 ATOM 7439 C CD1 . LEU C 1 145 ? 2.383 -15.882 -21.513 1.00 16.99 ? 144 LEU C CD1 1 ATOM 7440 C CD2 . LEU C 1 145 ? 2.664 -16.761 -23.826 1.00 17.55 ? 144 LEU C CD2 1 ATOM 7441 N N . ARG C 1 146 ? 2.638 -11.846 -23.814 1.00 16.12 ? 145 ARG C N 1 ATOM 7442 C CA . ARG C 1 146 ? 3.782 -10.940 -23.885 1.00 18.31 ? 145 ARG C CA 1 ATOM 7443 C C . ARG C 1 146 ? 3.642 -9.790 -22.881 1.00 17.29 ? 145 ARG C C 1 ATOM 7444 O O . ARG C 1 146 ? 4.582 -9.452 -22.177 1.00 15.88 ? 145 ARG C O 1 ATOM 7445 C CB . ARG C 1 146 ? 3.951 -10.393 -25.315 1.00 21.20 ? 145 ARG C CB 1 ATOM 7446 C CG . ARG C 1 146 ? 5.088 -9.402 -25.487 1.00 25.30 ? 145 ARG C CG 1 ATOM 7447 C CD . ARG C 1 146 ? 5.204 -8.934 -26.940 1.00 29.38 ? 145 ARG C CD 1 ATOM 7448 N NE . ARG C 1 146 ? 6.017 -7.718 -27.026 1.00 36.28 ? 145 ARG C NE 1 ATOM 7449 C CZ . ARG C 1 146 ? 7.179 -7.581 -27.692 1.00 41.31 ? 145 ARG C CZ 1 ATOM 7450 N NH1 . ARG C 1 146 ? 7.752 -8.597 -28.366 1.00 40.29 ? 145 ARG C NH1 1 ATOM 7451 N NH2 . ARG C 1 146 ? 7.781 -6.389 -27.691 1.00 42.99 ? 145 ARG C NH2 1 ATOM 7452 N N . GLU C 1 147 ? 2.481 -9.169 -22.845 1.00 17.42 ? 146 GLU C N 1 ATOM 7453 C CA . GLU C 1 147 ? 2.239 -8.079 -21.920 1.00 18.61 ? 146 GLU C CA 1 ATOM 7454 C C . GLU C 1 147 ? 2.354 -8.511 -20.459 1.00 17.38 ? 146 GLU C C 1 ATOM 7455 O O . GLU C 1 147 ? 2.880 -7.758 -19.638 1.00 16.95 ? 146 GLU C O 1 ATOM 7456 C CB . GLU C 1 147 ? 0.890 -7.406 -22.210 1.00 20.86 ? 146 GLU C CB 1 ATOM 7457 C CG . GLU C 1 147 ? 0.903 -6.698 -23.562 1.00 24.44 ? 146 GLU C CG 1 ATOM 7458 C CD . GLU C 1 147 ? -0.449 -6.152 -24.024 1.00 29.40 ? 146 GLU C CD 1 ATOM 7459 O OE1 . GLU C 1 147 ? -1.514 -6.648 -23.590 1.00 34.19 ? 146 GLU C OE1 1 ATOM 7460 O OE2 . GLU C 1 147 ? -0.428 -5.216 -24.857 1.00 36.36 ? 146 GLU C OE2 1 ATOM 7461 N N . MET C 1 148 ? 1.827 -9.689 -20.135 1.00 16.17 ? 147 MET C N 1 ATOM 7462 C CA . MET C 1 148 ? 1.868 -10.186 -18.756 1.00 16.45 ? 147 MET C CA 1 ATOM 7463 C C . MET C 1 148 ? 3.309 -10.450 -18.319 1.00 15.49 ? 147 MET C C 1 ATOM 7464 O O . MET C 1 148 ? 3.707 -10.093 -17.203 1.00 15.52 ? 147 MET C O 1 ATOM 7465 C CB . MET C 1 148 ? 1.053 -11.463 -18.620 1.00 16.50 ? 147 MET C CB 1 ATOM 7466 C CG . MET C 1 148 ? 1.037 -11.994 -17.212 1.00 17.97 ? 147 MET C CG 1 ATOM 7467 S SD . MET C 1 148 ? -0.231 -13.250 -16.972 1.00 19.59 ? 147 MET C SD 1 ATOM 7468 C CE . MET C 1 148 ? 0.449 -14.633 -17.854 1.00 18.75 ? 147 MET C CE 1 ATOM 7469 N N . ILE C 1 149 ? 4.086 -11.040 -19.207 1.00 15.01 ? 148 ILE C N 1 ATOM 7470 C CA . ILE C 1 149 ? 5.505 -11.276 -18.947 1.00 15.05 ? 148 ILE C CA 1 ATOM 7471 C C . ILE C 1 149 ? 6.243 -9.959 -18.685 1.00 15.83 ? 148 ILE C C 1 ATOM 7472 O O . ILE C 1 149 ? 7.009 -9.864 -17.725 1.00 15.58 ? 148 ILE C O 1 ATOM 7473 C CB . ILE C 1 149 ? 6.157 -12.070 -20.075 1.00 14.61 ? 148 ILE C CB 1 ATOM 7474 C CG1 . ILE C 1 149 ? 5.678 -13.518 -20.017 1.00 13.89 ? 148 ILE C CG1 1 ATOM 7475 C CG2 . ILE C 1 149 ? 7.676 -12.019 -19.991 1.00 15.21 ? 148 ILE C CG2 1 ATOM 7476 C CD1 . ILE C 1 149 ? 5.974 -14.307 -21.266 1.00 13.52 ? 148 ILE C CD1 1 ATOM 7477 N N . GLU C 1 150 ? 6.015 -8.962 -19.540 1.00 16.33 ? 149 GLU C N 1 ATOM 7478 C CA . GLU C 1 150 ? 6.658 -7.654 -19.352 1.00 17.82 ? 149 GLU C CA 1 ATOM 7479 C C . GLU C 1 150 ? 6.274 -7.026 -18.003 1.00 17.92 ? 149 GLU C C 1 ATOM 7480 O O . GLU C 1 150 ? 7.129 -6.473 -17.280 1.00 17.85 ? 149 GLU C O 1 ATOM 7481 C CB . GLU C 1 150 ? 6.334 -6.736 -20.522 1.00 19.28 ? 149 GLU C CB 1 ATOM 7482 C CG . GLU C 1 150 ? 6.924 -7.244 -21.833 1.00 20.82 ? 149 GLU C CG 1 ATOM 7483 C CD . GLU C 1 150 ? 6.713 -6.300 -23.017 1.00 23.68 ? 149 GLU C CD 1 ATOM 7484 O OE1 . GLU C 1 150 ? 6.127 -5.218 -22.804 1.00 28.19 ? 149 GLU C OE1 1 ATOM 7485 O OE2 . GLU C 1 150 ? 7.187 -6.599 -24.138 1.00 23.52 ? 149 GLU C OE2 1 ATOM 7486 N N A GLU C 1 151 ? 4.995 -7.109 -17.648 0.50 17.37 ? 150 GLU C N 1 ATOM 7487 N N B GLU C 1 151 ? 4.992 -7.114 -17.645 0.50 17.88 ? 150 GLU C N 1 ATOM 7488 C CA A GLU C 1 151 ? 4.535 -6.568 -16.372 0.50 17.62 ? 150 GLU C CA 1 ATOM 7489 C CA B GLU C 1 151 ? 4.538 -6.576 -16.359 0.50 18.40 ? 150 GLU C CA 1 ATOM 7490 C C A GLU C 1 151 ? 5.181 -7.277 -15.173 0.50 16.90 ? 150 GLU C C 1 ATOM 7491 C C B GLU C 1 151 ? 5.181 -7.281 -15.168 0.50 17.31 ? 150 GLU C C 1 ATOM 7492 O O A GLU C 1 151 ? 5.589 -6.624 -14.207 0.50 16.66 ? 150 GLU C O 1 ATOM 7493 O O B GLU C 1 151 ? 5.587 -6.630 -14.207 0.50 17.01 ? 150 GLU C O 1 ATOM 7494 C CB A GLU C 1 151 ? 3.010 -6.697 -16.299 0.50 18.39 ? 150 GLU C CB 1 ATOM 7495 C CB B GLU C 1 151 ? 3.008 -6.644 -16.256 0.50 19.86 ? 150 GLU C CB 1 ATOM 7496 C CG A GLU C 1 151 ? 2.402 -6.362 -14.951 0.50 19.79 ? 150 GLU C CG 1 ATOM 7497 C CG B GLU C 1 151 ? 2.389 -5.593 -17.159 0.50 22.44 ? 150 GLU C CG 1 ATOM 7498 C CD A GLU C 1 151 ? 0.899 -6.549 -14.973 0.50 20.72 ? 150 GLU C CD 1 ATOM 7499 C CD B GLU C 1 151 ? 1.014 -5.114 -16.714 0.50 24.37 ? 150 GLU C CD 1 ATOM 7500 O OE1 A GLU C 1 151 ? 0.271 -6.200 -16.036 0.50 22.61 ? 150 GLU C OE1 1 ATOM 7501 O OE1 B GLU C 1 151 ? 0.721 -5.112 -15.480 0.50 27.65 ? 150 GLU C OE1 1 ATOM 7502 O OE2 A GLU C 1 151 ? 0.379 -7.061 -13.945 0.50 21.39 ? 150 GLU C OE2 1 ATOM 7503 O OE2 B GLU C 1 151 ? 0.254 -4.692 -17.606 0.50 25.32 ? 150 GLU C OE2 1 ATOM 7504 N N . MET C 1 152 ? 5.276 -8.609 -15.240 1.00 15.74 ? 151 MET C N 1 ATOM 7505 C CA . MET C 1 152 ? 5.837 -9.370 -14.149 1.00 16.17 ? 151 MET C CA 1 ATOM 7506 C C . MET C 1 152 ? 7.343 -9.048 -13.988 1.00 16.50 ? 151 MET C C 1 ATOM 7507 O O . MET C 1 152 ? 7.842 -8.919 -12.887 1.00 17.18 ? 151 MET C O 1 ATOM 7508 C CB . MET C 1 152 ? 5.627 -10.861 -14.374 1.00 16.02 ? 151 MET C CB 1 ATOM 7509 C CG . MET C 1 152 ? 4.159 -11.276 -14.279 1.00 16.22 ? 151 MET C CG 1 ATOM 7510 S SD . MET C 1 152 ? 3.876 -12.998 -14.694 1.00 17.25 ? 151 MET C SD 1 ATOM 7511 C CE . MET C 1 152 ? 4.361 -13.768 -13.188 1.00 17.00 ? 151 MET C CE 1 ATOM 7512 N N . TYR C 1 153 ? 8.032 -8.897 -15.116 1.00 16.61 ? 152 TYR C N 1 ATOM 7513 C CA . TYR C 1 153 ? 9.438 -8.486 -15.118 1.00 16.78 ? 152 TYR C CA 1 ATOM 7514 C C . TYR C 1 153 ? 9.616 -7.154 -14.377 1.00 17.65 ? 152 TYR C C 1 ATOM 7515 O O . TYR C 1 153 ? 10.518 -6.974 -13.537 1.00 18.16 ? 152 TYR C O 1 ATOM 7516 C CB . TYR C 1 153 ? 9.921 -8.380 -16.561 1.00 16.75 ? 152 TYR C CB 1 ATOM 7517 C CG . TYR C 1 153 ? 11.244 -7.695 -16.753 1.00 18.01 ? 152 TYR C CG 1 ATOM 7518 C CD1 . TYR C 1 153 ? 12.431 -8.398 -16.686 1.00 19.02 ? 152 TYR C CD1 1 ATOM 7519 C CD2 . TYR C 1 153 ? 11.296 -6.329 -16.991 1.00 18.63 ? 152 TYR C CD2 1 ATOM 7520 C CE1 . TYR C 1 153 ? 13.650 -7.753 -16.852 1.00 20.09 ? 152 TYR C CE1 1 ATOM 7521 C CE2 . TYR C 1 153 ? 12.488 -5.695 -17.180 1.00 20.37 ? 152 TYR C CE2 1 ATOM 7522 C CZ . TYR C 1 153 ? 13.661 -6.398 -17.106 1.00 20.51 ? 152 TYR C CZ 1 ATOM 7523 O OH . TYR C 1 153 ? 14.831 -5.731 -17.241 1.00 23.31 ? 152 TYR C OH 1 ATOM 7524 N N . GLN C 1 154 ? 8.759 -6.194 -14.691 1.00 18.69 ? 153 GLN C N 1 ATOM 7525 C CA . GLN C 1 154 ? 8.865 -4.891 -14.064 1.00 19.59 ? 153 GLN C CA 1 ATOM 7526 C C . GLN C 1 154 ? 8.483 -4.893 -12.592 1.00 21.76 ? 153 GLN C C 1 ATOM 7527 O O . GLN C 1 154 ? 9.118 -4.191 -11.787 1.00 22.67 ? 153 GLN C O 1 ATOM 7528 C CB . GLN C 1 154 ? 8.020 -3.885 -14.818 1.00 19.68 ? 153 GLN C CB 1 ATOM 7529 C CG . GLN C 1 154 ? 8.593 -3.646 -16.195 1.00 19.93 ? 153 GLN C CG 1 ATOM 7530 C CD . GLN C 1 154 ? 8.135 -2.316 -16.782 1.00 21.06 ? 153 GLN C CD 1 ATOM 7531 O OE1 . GLN C 1 154 ? 6.964 -1.960 -16.662 1.00 22.49 ? 153 GLN C OE1 1 ATOM 7532 N NE2 . GLN C 1 154 ? 9.059 -1.569 -17.360 1.00 21.10 ? 153 GLN C NE2 1 ATOM 7533 N N . LEU C 1 155 ? 7.413 -5.605 -12.246 1.00 21.56 ? 154 LEU C N 1 ATOM 7534 C CA . LEU C 1 155 ? 6.938 -5.636 -10.870 1.00 23.61 ? 154 LEU C CA 1 ATOM 7535 C C . LEU C 1 155 ? 7.866 -6.379 -9.950 1.00 24.13 ? 154 LEU C C 1 ATOM 7536 O O . LEU C 1 155 ? 8.139 -5.919 -8.840 1.00 24.55 ? 154 LEU C O 1 ATOM 7537 C CB . LEU C 1 155 ? 5.555 -6.275 -10.779 1.00 24.25 ? 154 LEU C CB 1 ATOM 7538 C CG . LEU C 1 155 ? 4.375 -5.451 -11.265 1.00 26.70 ? 154 LEU C CG 1 ATOM 7539 C CD1 . LEU C 1 155 ? 3.137 -6.322 -11.347 1.00 27.81 ? 154 LEU C CD1 1 ATOM 7540 C CD2 . LEU C 1 155 ? 4.115 -4.265 -10.335 1.00 28.58 ? 154 LEU C CD2 1 ATOM 7541 N N . TYR C 1 156 ? 8.369 -7.523 -10.400 1.00 23.88 ? 155 TYR C N 1 ATOM 7542 C CA . TYR C 1 156 ? 9.100 -8.398 -9.504 1.00 25.16 ? 155 TYR C CA 1 ATOM 7543 C C . TYR C 1 156 ? 10.626 -8.299 -9.712 1.00 27.41 ? 155 TYR C C 1 ATOM 7544 O O . TYR C 1 156 ? 11.362 -8.940 -9.017 1.00 29.70 ? 155 TYR C O 1 ATOM 7545 C CB . TYR C 1 156 ? 8.532 -9.830 -9.559 1.00 24.51 ? 155 TYR C CB 1 ATOM 7546 C CG . TYR C 1 156 ? 7.004 -9.820 -9.439 1.00 23.61 ? 155 TYR C CG 1 ATOM 7547 C CD1 . TYR C 1 156 ? 6.364 -9.320 -8.282 1.00 24.14 ? 155 TYR C CD1 1 ATOM 7548 C CD2 . TYR C 1 156 ? 6.208 -10.221 -10.487 1.00 22.11 ? 155 TYR C CD2 1 ATOM 7549 C CE1 . TYR C 1 156 ? 4.971 -9.257 -8.197 1.00 23.84 ? 155 TYR C CE1 1 ATOM 7550 C CE2 . TYR C 1 156 ? 4.815 -10.163 -10.411 1.00 22.22 ? 155 TYR C CE2 1 ATOM 7551 C CZ . TYR C 1 156 ? 4.204 -9.665 -9.264 1.00 23.29 ? 155 TYR C CZ 1 ATOM 7552 O OH . TYR C 1 156 ? 2.819 -9.593 -9.204 1.00 23.42 ? 155 TYR C OH 1 ATOM 7553 N N . GLY C 1 157 ? 11.066 -7.473 -10.659 1.00 27.76 ? 156 GLY C N 1 ATOM 7554 C CA . GLY C 1 157 ? 12.471 -7.077 -10.765 1.00 27.69 ? 156 GLY C CA 1 ATOM 7555 C C . GLY C 1 157 ? 13.394 -8.061 -11.467 1.00 26.34 ? 156 GLY C C 1 ATOM 7556 O O . GLY C 1 157 ? 14.606 -7.998 -11.286 1.00 25.70 ? 156 GLY C O 1 ATOM 7557 N N . GLY C 1 158 ? 12.837 -8.972 -12.263 1.00 22.95 ? 157 GLY C N 1 ATOM 7558 C CA . GLY C 1 158 ? 13.667 -9.796 -13.097 1.00 21.93 ? 157 GLY C CA 1 ATOM 7559 C C . GLY C 1 158 ? 12.902 -10.663 -14.072 1.00 20.39 ? 157 GLY C C 1 ATOM 7560 O O . GLY C 1 158 ? 11.663 -10.721 -14.052 1.00 19.40 ? 157 GLY C O 1 ATOM 7561 N N . PRO C 1 159 ? 13.649 -11.373 -14.929 1.00 19.49 ? 158 PRO C N 1 ATOM 7562 C CA . PRO C 1 159 ? 13.025 -12.153 -15.962 1.00 19.08 ? 158 PRO C CA 1 ATOM 7563 C C . PRO C 1 159 ? 12.261 -13.374 -15.431 1.00 18.84 ? 158 PRO C C 1 ATOM 7564 O O . PRO C 1 159 ? 12.483 -13.825 -14.293 1.00 18.98 ? 158 PRO C O 1 ATOM 7565 C CB . PRO C 1 159 ? 14.197 -12.552 -16.859 1.00 19.47 ? 158 PRO C CB 1 ATOM 7566 C CG . PRO C 1 159 ? 15.418 -12.391 -16.033 1.00 20.55 ? 158 PRO C CG 1 ATOM 7567 C CD . PRO C 1 159 ? 15.120 -11.269 -15.098 1.00 20.50 ? 158 PRO C CD 1 ATOM 7568 N N . VAL C 1 160 ? 11.361 -13.868 -16.268 1.00 18.12 ? 159 VAL C N 1 ATOM 7569 C CA . VAL C 1 160 ? 10.328 -14.834 -15.890 1.00 18.55 ? 159 VAL C CA 1 ATOM 7570 C C . VAL C 1 160 ? 10.733 -16.264 -16.266 1.00 17.20 ? 159 VAL C C 1 ATOM 7571 O O . VAL C 1 160 ? 11.418 -16.472 -17.278 1.00 17.57 ? 159 VAL C O 1 ATOM 7572 C CB . VAL C 1 160 ? 9.024 -14.465 -16.618 1.00 19.25 ? 159 VAL C CB 1 ATOM 7573 C CG1 . VAL C 1 160 ? 7.931 -15.497 -16.426 1.00 20.60 ? 159 VAL C CG1 1 ATOM 7574 C CG2 . VAL C 1 160 ? 8.553 -13.083 -16.189 1.00 20.85 ? 159 VAL C CG2 1 ATOM 7575 N N . VAL C 1 161 ? 10.314 -17.231 -15.459 1.00 16.17 ? 160 VAL C N 1 ATOM 7576 C CA . VAL C 1 161 ? 10.471 -18.635 -15.801 1.00 15.66 ? 160 VAL C CA 1 ATOM 7577 C C . VAL C 1 161 ? 9.138 -19.134 -16.325 1.00 16.17 ? 160 VAL C C 1 ATOM 7578 O O . VAL C 1 161 ? 8.118 -19.014 -15.638 1.00 16.41 ? 160 VAL C O 1 ATOM 7579 C CB . VAL C 1 161 ? 10.925 -19.479 -14.596 1.00 15.89 ? 160 VAL C CB 1 ATOM 7580 C CG1 . VAL C 1 161 ? 10.936 -20.978 -14.957 1.00 15.87 ? 160 VAL C CG1 1 ATOM 7581 C CG2 . VAL C 1 161 ? 12.315 -19.033 -14.148 1.00 16.91 ? 160 VAL C CG2 1 ATOM 7582 N N . LEU C 1 162 ? 9.146 -19.672 -17.546 1.00 16.09 ? 161 LEU C N 1 ATOM 7583 C CA . LEU C 1 162 ? 7.973 -20.283 -18.165 1.00 16.10 ? 161 LEU C CA 1 ATOM 7584 C C . LEU C 1 162 ? 7.974 -21.757 -17.829 1.00 15.18 ? 161 LEU C C 1 ATOM 7585 O O . LEU C 1 162 ? 8.987 -22.419 -18.009 1.00 15.11 ? 161 LEU C O 1 ATOM 7586 C CB . LEU C 1 162 ? 8.007 -20.130 -19.688 1.00 17.25 ? 161 LEU C CB 1 ATOM 7587 C CG . LEU C 1 162 ? 8.055 -18.687 -20.199 1.00 19.12 ? 161 LEU C CG 1 ATOM 7588 C CD1 . LEU C 1 162 ? 8.295 -18.576 -21.693 1.00 19.05 ? 161 LEU C CD1 1 ATOM 7589 C CD2 . LEU C 1 162 ? 6.767 -18.008 -19.835 1.00 21.06 ? 161 LEU C CD2 1 ATOM 7590 N N . VAL C 1 163 ? 6.852 -22.272 -17.338 1.00 13.87 ? 162 VAL C N 1 ATOM 7591 C CA . VAL C 1 163 ? 6.725 -23.710 -17.048 1.00 14.38 ? 162 VAL C CA 1 ATOM 7592 C C . VAL C 1 163 ? 5.542 -24.209 -17.848 1.00 14.33 ? 162 VAL C C 1 ATOM 7593 O O . VAL C 1 163 ? 4.414 -23.731 -17.616 1.00 15.03 ? 162 VAL C O 1 ATOM 7594 C CB . VAL C 1 163 ? 6.499 -23.964 -15.547 1.00 15.19 ? 162 VAL C CB 1 ATOM 7595 C CG1 . VAL C 1 163 ? 6.414 -25.465 -15.269 1.00 15.71 ? 162 VAL C CG1 1 ATOM 7596 C CG2 . VAL C 1 163 ? 7.636 -23.347 -14.713 1.00 15.43 ? 162 VAL C CG2 1 ATOM 7597 N N . ALA C 1 164 ? 5.751 -25.144 -18.786 1.00 13.72 ? 163 ALA C N 1 ATOM 7598 C CA . ALA C 1 164 ? 4.678 -25.601 -19.665 1.00 13.70 ? 163 ALA C CA 1 ATOM 7599 C C . ALA C 1 164 ? 4.548 -27.118 -19.661 1.00 13.66 ? 163 ALA C C 1 ATOM 7600 O O . ALA C 1 164 ? 5.538 -27.829 -19.491 1.00 14.02 ? 163 ALA C O 1 ATOM 7601 C CB . ALA C 1 164 ? 4.895 -25.116 -21.087 1.00 13.52 ? 163 ALA C CB 1 ATOM 7602 N N . HIS C 1 165 ? 3.312 -27.594 -19.802 1.00 13.74 ? 164 HIS C N 1 ATOM 7603 C CA . HIS C 1 165 ? 3.053 -29.032 -19.825 1.00 14.23 ? 164 HIS C CA 1 ATOM 7604 C C . HIS C 1 165 ? 2.449 -29.398 -21.175 1.00 14.12 ? 164 HIS C C 1 ATOM 7605 O O . HIS C 1 165 ? 1.550 -28.721 -21.679 1.00 13.50 ? 164 HIS C O 1 ATOM 7606 C CB . HIS C 1 165 ? 2.103 -29.436 -18.720 1.00 14.82 ? 164 HIS C CB 1 ATOM 7607 C CG . HIS C 1 165 ? 1.785 -30.896 -18.703 1.00 15.59 ? 164 HIS C CG 1 ATOM 7608 N ND1 . HIS C 1 165 ? 0.509 -31.378 -18.887 1.00 16.47 ? 164 HIS C ND1 1 ATOM 7609 C CD2 . HIS C 1 165 ? 2.581 -31.979 -18.528 1.00 16.22 ? 164 HIS C CD2 1 ATOM 7610 C CE1 . HIS C 1 165 ? 0.528 -32.698 -18.817 1.00 17.34 ? 164 HIS C CE1 1 ATOM 7611 N NE2 . HIS C 1 165 ? 1.775 -33.087 -18.595 1.00 17.74 ? 164 HIS C NE2 1 ATOM 7612 N N . SER C 1 166 ? 2.932 -30.521 -21.707 1.00 14.82 ? 165 SER C N 1 ATOM 7613 C CA . SER C 1 166 ? 2.343 -31.164 -22.861 1.00 15.81 ? 165 SER C CA 1 ATOM 7614 C C . SER C 1 166 ? 2.227 -30.189 -24.034 1.00 15.27 ? 165 SER C C 1 ATOM 7615 O O . SER C 1 166 ? 3.211 -29.515 -24.357 1.00 15.20 ? 165 SER C O 1 ATOM 7616 C CB . SER C 1 166 ? 1.029 -31.819 -22.444 1.00 17.52 ? 165 SER C CB 1 ATOM 7617 O OG . SER C 1 166 ? 0.648 -32.791 -23.395 1.00 19.76 ? 165 SER C OG 1 ATOM 7618 N N . MET C 1 167 ? 1.046 -30.047 -24.645 1.00 14.60 ? 166 MET C N 1 ATOM 7619 C CA . MET C 1 167 ? 0.871 -29.132 -25.771 1.00 15.87 ? 166 MET C CA 1 ATOM 7620 C C . MET C 1 167 ? 1.192 -27.662 -25.447 1.00 14.13 ? 166 MET C C 1 ATOM 7621 O O . MET C 1 167 ? 1.533 -26.901 -26.331 1.00 13.83 ? 166 MET C O 1 ATOM 7622 C CB . MET C 1 167 ? -0.583 -29.185 -26.272 1.00 17.24 ? 166 MET C CB 1 ATOM 7623 C CG . MET C 1 167 ? -0.841 -28.326 -27.467 1.00 19.16 ? 166 MET C CG 1 ATOM 7624 S SD . MET C 1 167 ? -2.529 -28.616 -28.086 1.00 20.10 ? 166 MET C SD 1 ATOM 7625 C CE . MET C 1 167 ? -3.488 -27.485 -27.112 1.00 20.17 ? 166 MET C CE 1 ATOM 7626 N N . GLY C 1 168 ? 1.135 -27.296 -24.167 1.00 13.64 ? 167 GLY C N 1 ATOM 7627 C CA . GLY C 1 168 ? 1.552 -25.948 -23.772 1.00 13.46 ? 167 GLY C CA 1 ATOM 7628 C C . GLY C 1 168 ? 2.975 -25.644 -24.199 1.00 13.79 ? 167 GLY C C 1 ATOM 7629 O O . GLY C 1 168 ? 3.343 -24.495 -24.406 1.00 14.62 ? 167 GLY C O 1 ATOM 7630 N N . ASN C 1 169 ? 3.816 -26.673 -24.297 1.00 14.14 ? 168 ASN C N 1 ATOM 7631 C CA . ASN C 1 169 ? 5.186 -26.465 -24.798 1.00 14.47 ? 168 ASN C CA 1 ATOM 7632 C C . ASN C 1 169 ? 5.257 -26.010 -26.252 1.00 14.97 ? 168 ASN C C 1 ATOM 7633 O O . ASN C 1 169 ? 6.108 -25.209 -26.614 1.00 14.52 ? 168 ASN C O 1 ATOM 7634 C CB . ASN C 1 169 ? 5.978 -27.743 -24.636 1.00 15.14 ? 168 ASN C CB 1 ATOM 7635 C CG . ASN C 1 169 ? 6.260 -28.042 -23.188 1.00 15.64 ? 168 ASN C CG 1 ATOM 7636 O OD1 . ASN C 1 169 ? 7.084 -27.400 -22.587 1.00 17.09 ? 168 ASN C OD1 1 ATOM 7637 N ND2 . ASN C 1 169 ? 5.555 -29.000 -22.624 1.00 16.13 ? 168 ASN C ND2 1 ATOM 7638 N N . MET C 1 170 ? 4.361 -26.526 -27.081 1.00 15.86 ? 169 MET C N 1 ATOM 7639 C CA . MET C 1 170 ? 4.300 -26.154 -28.486 1.00 16.27 ? 169 MET C CA 1 ATOM 7640 C C . MET C 1 170 ? 3.720 -24.728 -28.631 1.00 15.44 ? 169 MET C C 1 ATOM 7641 O O . MET C 1 170 ? 4.208 -23.955 -29.461 1.00 15.23 ? 169 MET C O 1 ATOM 7642 C CB . MET C 1 170 ? 3.529 -27.217 -29.264 1.00 18.78 ? 169 MET C CB 1 ATOM 7643 C CG . MET C 1 170 ? 4.317 -28.534 -29.409 1.00 21.63 ? 169 MET C CG 1 ATOM 7644 S SD . MET C 1 170 ? 5.573 -28.342 -30.695 1.00 26.75 ? 169 MET C SD 1 ATOM 7645 C CE . MET C 1 170 ? 4.589 -28.530 -32.188 1.00 26.63 ? 169 MET C CE 1 ATOM 7646 N N . TYR C 1 171 ? 2.716 -24.374 -27.832 1.00 14.53 ? 170 TYR C N 1 ATOM 7647 C CA . TYR C 1 171 ? 2.267 -22.964 -27.718 1.00 14.86 ? 170 TYR C CA 1 ATOM 7648 C C . TYR C 1 171 ? 3.424 -22.029 -27.327 1.00 14.99 ? 170 TYR C C 1 ATOM 7649 O O . TYR C 1 171 ? 3.611 -20.972 -27.924 1.00 14.64 ? 170 TYR C O 1 ATOM 7650 C CB . TYR C 1 171 ? 1.113 -22.832 -26.713 1.00 15.18 ? 170 TYR C CB 1 ATOM 7651 C CG . TYR C 1 171 ? -0.226 -22.799 -27.414 1.00 14.99 ? 170 TYR C CG 1 ATOM 7652 C CD1 . TYR C 1 171 ? -0.750 -23.942 -28.011 1.00 14.76 ? 170 TYR C CD1 1 ATOM 7653 C CD2 . TYR C 1 171 ? -0.934 -21.641 -27.496 1.00 14.97 ? 170 TYR C CD2 1 ATOM 7654 C CE1 . TYR C 1 171 ? -1.955 -23.901 -28.691 1.00 14.33 ? 170 TYR C CE1 1 ATOM 7655 C CE2 . TYR C 1 171 ? -2.134 -21.591 -28.161 1.00 15.49 ? 170 TYR C CE2 1 ATOM 7656 C CZ . TYR C 1 171 ? -2.637 -22.725 -28.756 1.00 15.10 ? 170 TYR C CZ 1 ATOM 7657 O OH . TYR C 1 171 ? -3.825 -22.596 -29.426 1.00 15.29 ? 170 TYR C OH 1 ATOM 7658 N N . THR C 1 172 ? 4.187 -22.423 -26.320 1.00 15.02 ? 171 THR C N 1 ATOM 7659 C CA . THR C 1 172 ? 5.305 -21.621 -25.831 1.00 15.01 ? 171 THR C CA 1 ATOM 7660 C C . THR C 1 172 ? 6.417 -21.500 -26.870 1.00 15.79 ? 171 THR C C 1 ATOM 7661 O O . THR C 1 172 ? 6.970 -20.400 -27.079 1.00 15.36 ? 171 THR C O 1 ATOM 7662 C CB . THR C 1 172 ? 5.832 -22.168 -24.489 1.00 15.89 ? 171 THR C CB 1 ATOM 7663 O OG1 . THR C 1 172 ? 4.761 -22.222 -23.531 1.00 16.25 ? 171 THR C OG1 1 ATOM 7664 C CG2 . THR C 1 172 ? 6.958 -21.323 -23.931 1.00 16.92 ? 171 THR C CG2 1 ATOM 7665 N N . LEU C 1 173 ? 6.753 -22.609 -27.545 1.00 15.88 ? 172 LEU C N 1 ATOM 7666 C CA . LEU C 1 173 ? 7.748 -22.554 -28.617 1.00 16.19 ? 172 LEU C CA 1 ATOM 7667 C C . LEU C 1 173 ? 7.317 -21.618 -29.765 1.00 16.62 ? 172 LEU C C 1 ATOM 7668 O O . LEU C 1 173 ? 8.108 -20.804 -30.274 1.00 16.41 ? 172 LEU C O 1 ATOM 7669 C CB . LEU C 1 173 ? 8.057 -23.946 -29.146 1.00 16.46 ? 172 LEU C CB 1 ATOM 7670 C CG . LEU C 1 173 ? 9.086 -24.020 -30.291 1.00 17.86 ? 172 LEU C CG 1 ATOM 7671 C CD1 . LEU C 1 173 ? 10.430 -23.472 -29.870 1.00 18.84 ? 172 LEU C CD1 1 ATOM 7672 C CD2 . LEU C 1 173 ? 9.198 -25.467 -30.769 1.00 18.21 ? 172 LEU C CD2 1 ATOM 7673 N N . TYR C 1 174 ? 6.056 -21.731 -30.172 1.00 15.99 ? 173 TYR C N 1 ATOM 7674 C CA . TYR C 1 174 ? 5.524 -20.835 -31.180 1.00 16.57 ? 173 TYR C CA 1 ATOM 7675 C C . TYR C 1 174 ? 5.723 -19.389 -30.749 1.00 16.08 ? 173 TYR C C 1 ATOM 7676 O O . TYR C 1 174 ? 6.221 -18.543 -31.536 1.00 17.51 ? 173 TYR C O 1 ATOM 7677 C CB . TYR C 1 174 ? 4.041 -21.110 -31.393 1.00 16.67 ? 173 TYR C CB 1 ATOM 7678 C CG . TYR C 1 174 ? 3.351 -20.126 -32.321 1.00 17.81 ? 173 TYR C CG 1 ATOM 7679 C CD1 . TYR C 1 174 ? 3.269 -20.377 -33.695 1.00 19.33 ? 173 TYR C CD1 1 ATOM 7680 C CD2 . TYR C 1 174 ? 2.716 -18.996 -31.823 1.00 18.83 ? 173 TYR C CD2 1 ATOM 7681 C CE1 . TYR C 1 174 ? 2.595 -19.517 -34.536 1.00 20.37 ? 173 TYR C CE1 1 ATOM 7682 C CE2 . TYR C 1 174 ? 2.058 -18.119 -32.660 1.00 19.42 ? 173 TYR C CE2 1 ATOM 7683 C CZ . TYR C 1 174 ? 1.999 -18.388 -34.013 1.00 20.96 ? 173 TYR C CZ 1 ATOM 7684 O OH . TYR C 1 174 ? 1.326 -17.518 -34.845 1.00 22.74 ? 173 TYR C OH 1 ATOM 7685 N N . PHE C 1 175 ? 5.335 -19.092 -29.521 1.00 15.53 ? 174 PHE C N 1 ATOM 7686 C CA . PHE C 1 175 ? 5.482 -17.725 -28.986 1.00 15.17 ? 174 PHE C CA 1 ATOM 7687 C C . PHE C 1 175 ? 6.946 -17.256 -29.060 1.00 15.80 ? 174 PHE C C 1 ATOM 7688 O O . PHE C 1 175 ? 7.239 -16.166 -29.569 1.00 16.53 ? 174 PHE C O 1 ATOM 7689 C CB . PHE C 1 175 ? 4.969 -17.685 -27.554 1.00 15.49 ? 174 PHE C CB 1 ATOM 7690 C CG . PHE C 1 175 ? 5.204 -16.384 -26.846 1.00 15.65 ? 174 PHE C CG 1 ATOM 7691 C CD1 . PHE C 1 175 ? 4.464 -15.256 -27.175 1.00 16.23 ? 174 PHE C CD1 1 ATOM 7692 C CD2 . PHE C 1 175 ? 6.133 -16.299 -25.822 1.00 15.64 ? 174 PHE C CD2 1 ATOM 7693 C CE1 . PHE C 1 175 ? 4.708 -14.043 -26.521 1.00 16.76 ? 174 PHE C CE1 1 ATOM 7694 C CE2 . PHE C 1 175 ? 6.351 -15.101 -25.141 1.00 16.10 ? 174 PHE C CE2 1 ATOM 7695 C CZ . PHE C 1 175 ? 5.644 -13.984 -25.505 1.00 16.56 ? 174 PHE C CZ 1 ATOM 7696 N N . LEU C 1 176 ? 7.844 -18.063 -28.519 1.00 15.39 ? 175 LEU C N 1 ATOM 7697 C CA . LEU C 1 176 ? 9.252 -17.692 -28.426 1.00 16.93 ? 175 LEU C CA 1 ATOM 7698 C C . LEU C 1 176 ? 9.917 -17.557 -29.793 1.00 17.94 ? 175 LEU C C 1 ATOM 7699 O O . LEU C 1 176 ? 10.766 -16.675 -29.998 1.00 19.01 ? 175 LEU C O 1 ATOM 7700 C CB . LEU C 1 176 ? 10.001 -18.675 -27.530 1.00 16.69 ? 175 LEU C CB 1 ATOM 7701 C CG . LEU C 1 176 ? 9.620 -18.664 -26.052 1.00 16.36 ? 175 LEU C CG 1 ATOM 7702 C CD1 . LEU C 1 176 ? 10.334 -19.786 -25.327 1.00 16.78 ? 175 LEU C CD1 1 ATOM 7703 C CD2 . LEU C 1 176 ? 9.951 -17.330 -25.374 1.00 17.14 ? 175 LEU C CD2 1 ATOM 7704 N N . GLN C 1 177 ? 9.570 -18.431 -30.736 1.00 18.86 ? 176 GLN C N 1 ATOM 7705 C CA . GLN C 1 177 ? 10.106 -18.329 -32.110 1.00 20.24 ? 176 GLN C CA 1 ATOM 7706 C C . GLN C 1 177 ? 9.751 -16.985 -32.773 1.00 21.44 ? 176 GLN C C 1 ATOM 7707 O O . GLN C 1 177 ? 10.494 -16.497 -33.608 1.00 22.67 ? 176 GLN C O 1 ATOM 7708 C CB . GLN C 1 177 ? 9.605 -19.479 -32.986 1.00 20.36 ? 176 GLN C CB 1 ATOM 7709 C CG . GLN C 1 177 ? 10.267 -20.800 -32.662 1.00 20.64 ? 176 GLN C CG 1 ATOM 7710 C CD . GLN C 1 177 ? 9.805 -21.915 -33.581 1.00 21.55 ? 176 GLN C CD 1 ATOM 7711 O OE1 . GLN C 1 177 ? 8.770 -21.811 -34.242 1.00 22.81 ? 176 GLN C OE1 1 ATOM 7712 N NE2 . GLN C 1 177 ? 10.559 -23.008 -33.611 1.00 22.29 ? 176 GLN C NE2 1 ATOM 7713 N N . ARG C 1 178 ? 8.644 -16.390 -32.363 1.00 21.05 ? 177 ARG C N 1 ATOM 7714 C CA . ARG C 1 178 ? 8.181 -15.130 -32.927 1.00 23.36 ? 177 ARG C CA 1 ATOM 7715 C C . ARG C 1 178 ? 8.545 -13.892 -32.140 1.00 22.82 ? 177 ARG C C 1 ATOM 7716 O O . ARG C 1 178 ? 8.162 -12.801 -32.541 1.00 23.36 ? 177 ARG C O 1 ATOM 7717 C CB . ARG C 1 178 ? 6.686 -15.204 -33.163 1.00 25.45 ? 177 ARG C CB 1 ATOM 7718 C CG . ARG C 1 178 ? 6.459 -16.150 -34.324 1.00 29.30 ? 177 ARG C CG 1 ATOM 7719 C CD . ARG C 1 178 ? 5.052 -16.634 -34.473 1.00 32.77 ? 177 ARG C CD 1 ATOM 7720 N NE . ARG C 1 178 ? 5.103 -17.813 -35.352 1.00 38.39 ? 177 ARG C NE 1 ATOM 7721 C CZ . ARG C 1 178 ? 4.706 -17.874 -36.620 1.00 42.86 ? 177 ARG C CZ 1 ATOM 7722 N NH1 . ARG C 1 178 ? 4.176 -16.809 -37.237 1.00 46.20 ? 177 ARG C NH1 1 ATOM 7723 N NH2 . ARG C 1 178 ? 4.818 -19.038 -37.271 1.00 42.65 ? 177 ARG C NH2 1 ATOM 7724 N N . GLN C 1 179 ? 9.310 -14.022 -31.057 1.00 21.14 ? 178 GLN C N 1 ATOM 7725 C CA . GLN C 1 179 ? 9.793 -12.839 -30.345 1.00 21.20 ? 178 GLN C CA 1 ATOM 7726 C C . GLN C 1 179 ? 11.246 -12.618 -30.730 1.00 21.78 ? 178 GLN C C 1 ATOM 7727 O O . GLN C 1 179 ? 11.994 -13.568 -30.843 1.00 20.75 ? 178 GLN C O 1 ATOM 7728 C CB . GLN C 1 179 ? 9.700 -12.991 -28.812 1.00 21.37 ? 178 GLN C CB 1 ATOM 7729 C CG . GLN C 1 179 ? 8.323 -13.352 -28.256 1.00 21.63 ? 178 GLN C CG 1 ATOM 7730 C CD . GLN C 1 179 ? 7.203 -12.602 -28.960 1.00 24.09 ? 178 GLN C CD 1 ATOM 7731 O OE1 . GLN C 1 179 ? 7.158 -11.384 -28.928 1.00 26.03 ? 178 GLN C OE1 1 ATOM 7732 N NE2 . GLN C 1 179 ? 6.294 -13.327 -29.584 1.00 26.15 ? 178 GLN C NE2 1 ATOM 7733 N N . PRO C 1 180 ? 11.656 -11.352 -30.905 1.00 21.81 ? 179 PRO C N 1 ATOM 7734 C CA . PRO C 1 180 ? 13.058 -11.052 -31.173 1.00 22.43 ? 179 PRO C CA 1 ATOM 7735 C C . PRO C 1 180 ? 13.972 -11.592 -30.076 1.00 22.32 ? 179 PRO C C 1 ATOM 7736 O O . PRO C 1 180 ? 13.599 -11.646 -28.904 1.00 21.16 ? 179 PRO C O 1 ATOM 7737 C CB . PRO C 1 180 ? 13.097 -9.518 -31.173 1.00 23.11 ? 179 PRO C CB 1 ATOM 7738 C CG . PRO C 1 180 ? 11.703 -9.104 -31.510 1.00 22.95 ? 179 PRO C CG 1 ATOM 7739 C CD . PRO C 1 180 ? 10.825 -10.135 -30.866 1.00 21.98 ? 179 PRO C CD 1 ATOM 7740 N N . GLN C 1 181 ? 15.180 -11.971 -30.462 1.00 23.32 ? 180 GLN C N 1 ATOM 7741 C CA . GLN C 1 181 ? 16.150 -12.496 -29.511 1.00 23.98 ? 180 GLN C CA 1 ATOM 7742 C C . GLN C 1 181 ? 16.421 -11.513 -28.376 1.00 22.96 ? 180 GLN C C 1 ATOM 7743 O O . GLN C 1 181 ? 16.548 -11.916 -27.230 1.00 22.35 ? 180 GLN C O 1 ATOM 7744 C CB . GLN C 1 181 ? 17.466 -12.877 -30.230 1.00 25.80 ? 180 GLN C CB 1 ATOM 7745 C CG . GLN C 1 181 ? 18.467 -13.581 -29.330 1.00 26.81 ? 180 GLN C CG 1 ATOM 7746 C CD . GLN C 1 181 ? 17.959 -14.937 -28.867 1.00 26.87 ? 180 GLN C CD 1 ATOM 7747 O OE1 . GLN C 1 181 ? 17.522 -15.743 -29.670 1.00 30.37 ? 180 GLN C OE1 1 ATOM 7748 N NE2 . GLN C 1 181 ? 18.003 -15.188 -27.571 1.00 26.74 ? 180 GLN C NE2 1 ATOM 7749 N N . ALA C 1 182 ? 16.499 -10.217 -28.675 1.00 23.28 ? 181 ALA C N 1 ATOM 7750 C CA . ALA C 1 182 ? 16.733 -9.204 -27.630 1.00 22.86 ? 181 ALA C CA 1 ATOM 7751 C C . ALA C 1 182 ? 15.607 -9.178 -26.593 1.00 21.35 ? 181 ALA C C 1 ATOM 7752 O O . ALA C 1 182 ? 15.850 -8.955 -25.417 1.00 20.01 ? 181 ALA C O 1 ATOM 7753 C CB . ALA C 1 182 ? 16.923 -7.814 -28.238 1.00 23.95 ? 181 ALA C CB 1 ATOM 7754 N N . TRP C 1 183 ? 14.378 -9.432 -27.038 1.00 20.56 ? 182 TRP C N 1 ATOM 7755 C CA . TRP C 1 183 ? 13.236 -9.481 -26.136 1.00 19.29 ? 182 TRP C CA 1 ATOM 7756 C C . TRP C 1 183 ? 13.392 -10.677 -25.194 1.00 18.76 ? 182 TRP C C 1 ATOM 7757 O O . TRP C 1 183 ? 13.217 -10.560 -23.981 1.00 18.39 ? 182 TRP C O 1 ATOM 7758 C CB . TRP C 1 183 ? 11.923 -9.577 -26.930 1.00 19.14 ? 182 TRP C CB 1 ATOM 7759 C CG . TRP C 1 183 ? 10.682 -9.495 -26.045 1.00 18.66 ? 182 TRP C CG 1 ATOM 7760 C CD1 . TRP C 1 183 ? 9.979 -8.365 -25.729 1.00 18.55 ? 182 TRP C CD1 1 ATOM 7761 C CD2 . TRP C 1 183 ? 10.049 -10.569 -25.347 1.00 18.12 ? 182 TRP C CD2 1 ATOM 7762 N NE1 . TRP C 1 183 ? 8.943 -8.674 -24.885 1.00 18.09 ? 182 TRP C NE1 1 ATOM 7763 C CE2 . TRP C 1 183 ? 8.962 -10.020 -24.632 1.00 17.77 ? 182 TRP C CE2 1 ATOM 7764 C CE3 . TRP C 1 183 ? 10.275 -11.946 -25.278 1.00 17.63 ? 182 TRP C CE3 1 ATOM 7765 C CZ2 . TRP C 1 183 ? 8.131 -10.787 -23.830 1.00 17.15 ? 182 TRP C CZ2 1 ATOM 7766 C CZ3 . TRP C 1 183 ? 9.438 -12.716 -24.477 1.00 17.40 ? 182 TRP C CZ3 1 ATOM 7767 C CH2 . TRP C 1 183 ? 8.376 -12.129 -23.759 1.00 17.03 ? 182 TRP C CH2 1 ATOM 7768 N N . LYS C 1 184 ? 13.730 -11.830 -25.756 1.00 18.75 ? 183 LYS C N 1 ATOM 7769 C CA . LYS C 1 184 ? 13.858 -13.041 -24.952 1.00 18.02 ? 183 LYS C CA 1 ATOM 7770 C C . LYS C 1 184 ? 15.016 -12.957 -23.955 1.00 18.79 ? 183 LYS C C 1 ATOM 7771 O O . LYS C 1 184 ? 14.888 -13.373 -22.790 1.00 18.14 ? 183 LYS C O 1 ATOM 7772 C CB . LYS C 1 184 ? 14.007 -14.253 -25.861 1.00 17.68 ? 183 LYS C CB 1 ATOM 7773 C CG . LYS C 1 184 ? 12.737 -14.539 -26.652 1.00 17.54 ? 183 LYS C CG 1 ATOM 7774 C CD . LYS C 1 184 ? 12.843 -15.763 -27.547 1.00 17.67 ? 183 LYS C CD 1 ATOM 7775 C CE . LYS C 1 184 ? 13.807 -15.570 -28.697 1.00 18.19 ? 183 LYS C CE 1 ATOM 7776 N NZ . LYS C 1 184 ? 13.588 -16.613 -29.729 1.00 18.18 ? 183 LYS C NZ 1 ATOM 7777 N N . ASP C 1 185 ? 16.117 -12.344 -24.393 1.00 20.19 ? 184 ASP C N 1 ATOM 7778 C CA . ASP C 1 185 ? 17.268 -12.123 -23.521 1.00 22.01 ? 184 ASP C CA 1 ATOM 7779 C C . ASP C 1 185 ? 16.932 -11.241 -22.326 1.00 21.97 ? 184 ASP C C 1 ATOM 7780 O O . ASP C 1 185 ? 17.464 -11.431 -21.234 1.00 22.17 ? 184 ASP C O 1 ATOM 7781 C CB . ASP C 1 185 ? 18.452 -11.498 -24.282 1.00 24.02 ? 184 ASP C CB 1 ATOM 7782 C CG . ASP C 1 185 ? 19.064 -12.435 -25.303 1.00 26.33 ? 184 ASP C CG 1 ATOM 7783 O OD1 . ASP C 1 185 ? 18.777 -13.652 -25.292 1.00 27.04 ? 184 ASP C OD1 1 ATOM 7784 O OD2 . ASP C 1 185 ? 19.849 -11.939 -26.146 1.00 29.17 ? 184 ASP C OD2 1 ATOM 7785 N N . LYS C 1 186 ? 16.047 -10.272 -22.520 1.00 20.47 ? 185 LYS C N 1 ATOM 7786 C CA . LYS C 1 186 ? 15.647 -9.409 -21.425 1.00 20.53 ? 185 LYS C CA 1 ATOM 7787 C C . LYS C 1 186 ? 14.607 -10.052 -20.489 1.00 18.65 ? 185 LYS C C 1 ATOM 7788 O O . LYS C 1 186 ? 14.741 -9.984 -19.268 1.00 18.37 ? 185 LYS C O 1 ATOM 7789 C CB . LYS C 1 186 ? 15.071 -8.105 -21.999 1.00 20.97 ? 185 LYS C CB 1 ATOM 7790 C CG . LYS C 1 186 ? 14.533 -7.146 -20.955 1.00 21.74 ? 185 LYS C CG 1 ATOM 7791 C CD . LYS C 1 186 ? 14.265 -5.780 -21.590 1.00 22.68 ? 185 LYS C CD 1 ATOM 7792 C CE . LYS C 1 186 ? 13.730 -4.790 -20.581 1.00 23.17 ? 185 LYS C CE 1 ATOM 7793 N NZ . LYS C 1 186 ? 13.315 -3.543 -21.272 1.00 23.82 ? 185 LYS C NZ 1 ATOM 7794 N N . TYR C 1 187 ? 13.572 -10.654 -21.073 1.00 18.34 ? 186 TYR C N 1 ATOM 7795 C CA . TYR C 1 187 ? 12.375 -10.988 -20.308 1.00 17.50 ? 186 TYR C CA 1 ATOM 7796 C C . TYR C 1 187 ? 12.258 -12.430 -19.827 1.00 17.09 ? 186 TYR C C 1 ATOM 7797 O O . TYR C 1 187 ? 11.432 -12.702 -18.942 1.00 17.57 ? 186 TYR C O 1 ATOM 7798 C CB . TYR C 1 187 ? 11.115 -10.625 -21.101 1.00 16.89 ? 186 TYR C CB 1 ATOM 7799 C CG . TYR C 1 187 ? 10.906 -9.151 -21.255 1.00 17.16 ? 186 TYR C CG 1 ATOM 7800 C CD1 . TYR C 1 187 ? 10.518 -8.363 -20.174 1.00 17.44 ? 186 TYR C CD1 1 ATOM 7801 C CD2 . TYR C 1 187 ? 11.131 -8.523 -22.487 1.00 17.75 ? 186 TYR C CD2 1 ATOM 7802 C CE1 . TYR C 1 187 ? 10.368 -6.991 -20.313 1.00 17.56 ? 186 TYR C CE1 1 ATOM 7803 C CE2 . TYR C 1 187 ? 10.973 -7.147 -22.632 1.00 17.92 ? 186 TYR C CE2 1 ATOM 7804 C CZ . TYR C 1 187 ? 10.573 -6.397 -21.557 1.00 17.84 ? 186 TYR C CZ 1 ATOM 7805 O OH . TYR C 1 187 ? 10.404 -5.031 -21.762 1.00 19.01 ? 186 TYR C OH 1 ATOM 7806 N N . ILE C 1 188 ? 13.006 -13.351 -20.423 1.00 17.15 ? 187 ILE C N 1 ATOM 7807 C CA . ILE C 1 188 ? 12.846 -14.780 -20.111 1.00 17.17 ? 187 ILE C CA 1 ATOM 7808 C C . ILE C 1 188 ? 14.081 -15.297 -19.391 1.00 18.23 ? 187 ILE C C 1 ATOM 7809 O O . ILE C 1 188 ? 15.187 -15.155 -19.905 1.00 18.79 ? 187 ILE C O 1 ATOM 7810 C CB . ILE C 1 188 ? 12.590 -15.629 -21.378 1.00 17.07 ? 187 ILE C CB 1 ATOM 7811 C CG1 . ILE C 1 188 ? 11.390 -15.101 -22.187 1.00 16.96 ? 187 ILE C CG1 1 ATOM 7812 C CG2 . ILE C 1 188 ? 12.386 -17.108 -21.023 1.00 16.88 ? 187 ILE C CG2 1 ATOM 7813 C CD1 . ILE C 1 188 ? 10.074 -15.083 -21.445 1.00 16.83 ? 187 ILE C CD1 1 ATOM 7814 N N . ARG C 1 189 ? 13.887 -15.836 -18.183 1.00 19.03 ? 188 ARG C N 1 ATOM 7815 C CA . ARG C 1 189 ? 14.971 -16.429 -17.421 1.00 20.46 ? 188 ARG C CA 1 ATOM 7816 C C . ARG C 1 189 ? 15.227 -17.857 -17.888 1.00 19.33 ? 188 ARG C C 1 ATOM 7817 O O . ARG C 1 189 ? 16.362 -18.242 -18.133 1.00 19.02 ? 188 ARG C O 1 ATOM 7818 C CB . ARG C 1 189 ? 14.665 -16.417 -15.937 1.00 22.36 ? 188 ARG C CB 1 ATOM 7819 C CG . ARG C 1 189 ? 15.809 -16.955 -15.093 1.00 26.77 ? 188 ARG C CG 1 ATOM 7820 C CD . ARG C 1 189 ? 15.497 -16.783 -13.618 1.00 31.37 ? 188 ARG C CD 1 ATOM 7821 N NE . ARG C 1 189 ? 16.699 -16.917 -12.821 1.00 40.41 ? 188 ARG C NE 1 ATOM 7822 C CZ . ARG C 1 189 ? 17.539 -15.922 -12.535 1.00 47.96 ? 188 ARG C CZ 1 ATOM 7823 N NH1 . ARG C 1 189 ? 17.298 -14.662 -12.934 1.00 51.71 ? 188 ARG C NH1 1 ATOM 7824 N NH2 . ARG C 1 189 ? 18.636 -16.192 -11.833 1.00 51.72 ? 188 ARG C NH2 1 ATOM 7825 N N . ALA C 1 190 ? 14.157 -18.635 -18.004 1.00 17.74 ? 189 ALA C N 1 ATOM 7826 C CA . ALA C 1 190 ? 14.280 -20.029 -18.419 1.00 17.91 ? 189 ALA C CA 1 ATOM 7827 C C . ALA C 1 190 ? 12.931 -20.544 -18.836 1.00 16.76 ? 189 ALA C C 1 ATOM 7828 O O . ALA C 1 190 ? 11.903 -19.922 -18.547 1.00 16.31 ? 189 ALA C O 1 ATOM 7829 C CB . ALA C 1 190 ? 14.831 -20.863 -17.283 1.00 18.49 ? 189 ALA C CB 1 ATOM 7830 N N . PHE C 1 191 ? 12.947 -21.648 -19.575 1.00 16.84 ? 190 PHE C N 1 ATOM 7831 C CA . PHE C 1 191 ? 11.753 -22.351 -20.038 1.00 16.31 ? 190 PHE C CA 1 ATOM 7832 C C . PHE C 1 191 ? 11.893 -23.791 -19.548 1.00 16.79 ? 190 PHE C C 1 ATOM 7833 O O . PHE C 1 191 ? 12.854 -24.491 -19.921 1.00 17.24 ? 190 PHE C O 1 ATOM 7834 C CB . PHE C 1 191 ? 11.703 -22.237 -21.574 1.00 16.36 ? 190 PHE C CB 1 ATOM 7835 C CG . PHE C 1 191 ? 10.635 -23.032 -22.277 1.00 16.50 ? 190 PHE C CG 1 ATOM 7836 C CD1 . PHE C 1 191 ? 9.562 -23.611 -21.613 1.00 16.26 ? 190 PHE C CD1 1 ATOM 7837 C CD2 . PHE C 1 191 ? 10.703 -23.160 -23.660 1.00 16.54 ? 190 PHE C CD2 1 ATOM 7838 C CE1 . PHE C 1 191 ? 8.627 -24.365 -22.310 1.00 16.64 ? 190 PHE C CE1 1 ATOM 7839 C CE2 . PHE C 1 191 ? 9.766 -23.875 -24.366 1.00 16.89 ? 190 PHE C CE2 1 ATOM 7840 C CZ . PHE C 1 191 ? 8.707 -24.490 -23.687 1.00 16.67 ? 190 PHE C CZ 1 ATOM 7841 N N . VAL C 1 192 ? 11.001 -24.192 -18.638 1.00 16.50 ? 191 VAL C N 1 ATOM 7842 C CA . VAL C 1 192 ? 10.962 -25.554 -18.100 1.00 16.91 ? 191 VAL C CA 1 ATOM 7843 C C . VAL C 1 192 ? 9.848 -26.264 -18.862 1.00 16.48 ? 191 VAL C C 1 ATOM 7844 O O . VAL C 1 192 ? 8.676 -25.903 -18.752 1.00 15.04 ? 191 VAL C O 1 ATOM 7845 C CB . VAL C 1 192 ? 10.706 -25.568 -16.584 1.00 17.60 ? 191 VAL C CB 1 ATOM 7846 C CG1 . VAL C 1 192 ? 10.602 -26.993 -16.061 1.00 18.97 ? 191 VAL C CG1 1 ATOM 7847 C CG2 . VAL C 1 192 ? 11.822 -24.850 -15.826 1.00 19.14 ? 191 VAL C CG2 1 ATOM 7848 N N . SER C 1 193 ? 10.243 -27.283 -19.626 1.00 16.79 ? 192 SER C N 1 ATOM 7849 C CA . SER C 1 193 ? 9.384 -27.959 -20.576 1.00 17.63 ? 192 SER C CA 1 ATOM 7850 C C . SER C 1 193 ? 9.067 -29.343 -20.041 1.00 17.04 ? 192 SER C C 1 ATOM 7851 O O . SER C 1 193 ? 9.981 -30.172 -19.875 1.00 16.91 ? 192 SER C O 1 ATOM 7852 C CB . SER C 1 193 ? 10.170 -28.051 -21.887 1.00 20.10 ? 192 SER C CB 1 ATOM 7853 O OG . SER C 1 193 ? 9.438 -28.655 -22.888 1.00 22.50 ? 192 SER C OG 1 ATOM 7854 N N . LEU C 1 194 ? 7.806 -29.598 -19.718 1.00 15.84 ? 193 LEU C N 1 ATOM 7855 C CA . LEU C 1 194 ? 7.394 -30.865 -19.125 1.00 16.94 ? 193 LEU C CA 1 ATOM 7856 C C . LEU C 1 194 ? 6.553 -31.708 -20.101 1.00 16.46 ? 193 LEU C C 1 ATOM 7857 O O . LEU C 1 194 ? 5.435 -31.323 -20.451 1.00 14.65 ? 193 LEU C O 1 ATOM 7858 C CB . LEU C 1 194 ? 6.586 -30.604 -17.851 1.00 17.79 ? 193 LEU C CB 1 ATOM 7859 C CG . LEU C 1 194 ? 7.214 -29.696 -16.783 1.00 19.41 ? 193 LEU C CG 1 ATOM 7860 C CD1 . LEU C 1 194 ? 6.227 -29.437 -15.655 1.00 20.49 ? 193 LEU C CD1 1 ATOM 7861 C CD2 . LEU C 1 194 ? 8.482 -30.256 -16.217 1.00 20.74 ? 193 LEU C CD2 1 ATOM 7862 N N . GLY C 1 195 ? 7.104 -32.836 -20.563 1.00 17.16 ? 194 GLY C N 1 ATOM 7863 C CA . GLY C 1 195 ? 6.348 -33.737 -21.413 1.00 17.05 ? 194 GLY C CA 1 ATOM 7864 C C . GLY C 1 195 ? 5.979 -33.159 -22.773 1.00 16.56 ? 194 GLY C C 1 ATOM 7865 O O . GLY C 1 195 ? 4.833 -33.300 -23.231 1.00 15.51 ? 194 GLY C O 1 ATOM 7866 N N . ALA C 1 196 ? 6.922 -32.458 -23.397 1.00 15.72 ? 195 ALA C N 1 ATOM 7867 C CA . ALA C 1 196 ? 6.646 -31.773 -24.678 1.00 15.71 ? 195 ALA C CA 1 ATOM 7868 C C . ALA C 1 196 ? 6.528 -32.741 -25.861 1.00 16.00 ? 195 ALA C C 1 ATOM 7869 O O . ALA C 1 196 ? 7.458 -33.545 -26.109 1.00 16.07 ? 195 ALA C O 1 ATOM 7870 C CB . ALA C 1 196 ? 7.743 -30.767 -24.984 1.00 16.08 ? 195 ALA C CB 1 ATOM 7871 N N . PRO C 1 197 ? 5.424 -32.646 -26.636 1.00 15.76 ? 196 PRO C N 1 ATOM 7872 C CA . PRO C 1 197 ? 5.251 -33.471 -27.857 1.00 16.41 ? 196 PRO C CA 1 ATOM 7873 C C . PRO C 1 197 ? 5.846 -32.799 -29.086 1.00 16.75 ? 196 PRO C C 1 ATOM 7874 O O . PRO C 1 197 ? 5.138 -32.528 -30.057 1.00 18.52 ? 196 PRO C O 1 ATOM 7875 C CB . PRO C 1 197 ? 3.721 -33.588 -27.952 1.00 16.17 ? 196 PRO C CB 1 ATOM 7876 C CG . PRO C 1 197 ? 3.259 -32.243 -27.481 1.00 15.57 ? 196 PRO C CG 1 ATOM 7877 C CD . PRO C 1 197 ? 4.197 -31.873 -26.347 1.00 16.00 ? 196 PRO C CD 1 ATOM 7878 N N A TRP C 1 198 ? 7.158 -32.571 -29.041 0.80 17.60 ? 197 TRP C N 1 ATOM 7879 N N B TRP C 1 198 ? 7.152 -32.533 -29.058 0.20 16.54 ? 197 TRP C N 1 ATOM 7880 C CA A TRP C 1 198 ? 7.847 -31.943 -30.125 0.80 18.19 ? 197 TRP C CA 1 ATOM 7881 C CA B TRP C 1 198 ? 7.829 -31.688 -30.072 0.20 16.18 ? 197 TRP C CA 1 ATOM 7882 C C A TRP C 1 198 ? 7.712 -32.965 -31.263 0.80 18.69 ? 197 TRP C C 1 ATOM 7883 C C B TRP C 1 198 ? 7.511 -31.900 -31.578 0.20 15.71 ? 197 TRP C C 1 ATOM 7884 O O A TRP C 1 198 ? 7.964 -34.184 -31.130 0.80 21.36 ? 197 TRP C O 1 ATOM 7885 O O B TRP C 1 198 ? 7.265 -30.929 -32.296 0.20 14.93 ? 197 TRP C O 1 ATOM 7886 C CB A TRP C 1 198 ? 9.334 -31.779 -29.846 0.80 18.50 ? 197 TRP C CB 1 ATOM 7887 C CB B TRP C 1 198 ? 9.338 -31.741 -29.856 0.20 16.66 ? 197 TRP C CB 1 ATOM 7888 C CG A TRP C 1 198 ? 9.752 -31.095 -28.548 0.80 18.07 ? 197 TRP C CG 1 ATOM 7889 C CG B TRP C 1 198 ? 9.785 -31.075 -28.569 0.20 16.71 ? 197 TRP C CG 1 ATOM 7890 C CD1 A TRP C 1 198 ? 10.597 -31.604 -27.615 0.80 18.16 ? 197 TRP C CD1 1 ATOM 7891 C CD1 B TRP C 1 198 ? 10.620 -31.595 -27.622 0.20 17.01 ? 197 TRP C CD1 1 ATOM 7892 C CD2 A TRP C 1 198 ? 9.418 -29.773 -28.103 0.80 18.24 ? 197 TRP C CD2 1 ATOM 7893 C CD2 B TRP C 1 198 ? 9.421 -29.768 -28.104 0.20 16.64 ? 197 TRP C CD2 1 ATOM 7894 N NE1 A TRP C 1 198 ? 10.785 -30.702 -26.605 0.80 18.43 ? 197 TRP C NE1 1 ATOM 7895 N NE1 B TRP C 1 198 ? 10.798 -30.692 -26.602 0.20 17.09 ? 197 TRP C NE1 1 ATOM 7896 C CE2 A TRP C 1 198 ? 10.071 -29.571 -26.877 0.80 17.99 ? 197 TRP C CE2 1 ATOM 7897 C CE2 B TRP C 1 198 ? 10.074 -29.563 -26.875 0.20 16.75 ? 197 TRP C CE2 1 ATOM 7898 C CE3 A TRP C 1 198 ? 8.576 -28.764 -28.597 0.80 18.91 ? 197 TRP C CE3 1 ATOM 7899 C CE3 B TRP C 1 198 ? 8.597 -28.754 -28.606 0.20 16.59 ? 197 TRP C CE3 1 ATOM 7900 C CZ2 A TRP C 1 198 ? 9.941 -28.379 -26.136 0.80 18.79 ? 197 TRP C CZ2 1 ATOM 7901 C CZ2 B TRP C 1 198 ? 9.934 -28.383 -26.138 0.20 16.86 ? 197 TRP C CZ2 1 ATOM 7902 C CZ3 A TRP C 1 198 ? 8.456 -27.572 -27.858 0.80 18.35 ? 197 TRP C CZ3 1 ATOM 7903 C CZ3 B TRP C 1 198 ? 8.463 -27.579 -27.871 0.20 16.42 ? 197 TRP C CZ3 1 ATOM 7904 C CH2 A TRP C 1 198 ? 9.119 -27.402 -26.656 0.80 17.78 ? 197 TRP C CH2 1 ATOM 7905 C CH2 B TRP C 1 198 ? 9.124 -27.408 -26.657 0.20 16.42 ? 197 TRP C CH2 1 ATOM 7906 N N A GLY C 1 199 ? 7.318 -32.495 -32.391 0.80 18.97 ? 198 GLY C N 1 ATOM 7907 N N B GLY C 1 199 ? 7.533 -33.151 -32.044 0.20 16.08 ? 198 GLY C N 1 ATOM 7908 C CA A GLY C 1 199 ? 7.174 -33.417 -33.531 0.80 18.19 ? 198 GLY C CA 1 ATOM 7909 C CA B GLY C 1 199 ? 7.208 -33.501 -33.443 0.20 16.56 ? 198 GLY C CA 1 ATOM 7910 C C A GLY C 1 199 ? 5.912 -34.282 -33.568 0.80 17.72 ? 198 GLY C C 1 ATOM 7911 C C B GLY C 1 199 ? 5.926 -34.310 -33.544 0.20 16.81 ? 198 GLY C C 1 ATOM 7912 O O A GLY C 1 199 ? 5.810 -35.157 -34.427 0.80 17.19 ? 198 GLY C O 1 ATOM 7913 O O B GLY C 1 199 ? 5.806 -35.164 -34.420 0.20 16.82 ? 198 GLY C O 1 ATOM 7914 N N . GLY C 1 200 ? 4.967 -34.019 -32.662 1.00 17.19 ? 199 GLY C N 1 ATOM 7915 C CA . GLY C 1 200 ? 3.659 -34.687 -32.648 1.00 17.56 ? 199 GLY C CA 1 ATOM 7916 C C . GLY C 1 200 ? 3.696 -36.016 -31.923 1.00 17.99 ? 199 GLY C C 1 ATOM 7917 O O . GLY C 1 200 ? 4.776 -36.482 -31.526 1.00 19.08 ? 199 GLY C O 1 ATOM 7918 N N . VAL C 1 201 ? 2.544 -36.665 -31.802 1.00 17.35 ? 200 VAL C N 1 ATOM 7919 C CA . VAL C 1 201 ? 2.469 -37.958 -31.115 1.00 17.85 ? 200 VAL C CA 1 ATOM 7920 C C . VAL C 1 201 ? 1.671 -38.975 -31.916 1.00 17.21 ? 200 VAL C C 1 ATOM 7921 O O . VAL C 1 201 ? 0.689 -38.617 -32.566 1.00 16.04 ? 200 VAL C O 1 ATOM 7922 C CB . VAL C 1 201 ? 1.891 -37.857 -29.690 1.00 19.80 ? 200 VAL C CB 1 ATOM 7923 C CG1 . VAL C 1 201 ? 2.716 -36.895 -28.821 1.00 20.69 ? 200 VAL C CG1 1 ATOM 7924 C CG2 . VAL C 1 201 ? 0.450 -37.420 -29.702 1.00 19.90 ? 200 VAL C CG2 1 ATOM 7925 N N . ALA C 1 202 ? 2.084 -40.237 -31.872 1.00 16.62 ? 201 ALA C N 1 ATOM 7926 C CA . ALA C 1 202 ? 1.467 -41.258 -32.704 1.00 16.91 ? 201 ALA C CA 1 ATOM 7927 C C . ALA C 1 202 ? -0.009 -41.452 -32.345 1.00 17.51 ? 201 ALA C C 1 ATOM 7928 O O . ALA C 1 202 ? -0.822 -41.748 -33.215 1.00 16.84 ? 201 ALA C O 1 ATOM 7929 C CB . ALA C 1 202 ? 2.201 -42.575 -32.552 1.00 17.66 ? 201 ALA C CB 1 ATOM 7930 N N . LYS C 1 203 ? -0.363 -41.313 -31.080 1.00 18.03 ? 202 LYS C N 1 ATOM 7931 C CA . LYS C 1 203 ? -1.753 -41.617 -30.700 1.00 19.77 ? 202 LYS C CA 1 ATOM 7932 C C . LYS C 1 203 ? -2.814 -40.690 -31.297 1.00 18.68 ? 202 LYS C C 1 ATOM 7933 O O . LYS C 1 203 ? -3.997 -41.039 -31.304 1.00 17.64 ? 202 LYS C O 1 ATOM 7934 C CB . LYS C 1 203 ? -1.923 -41.760 -29.187 1.00 24.00 ? 202 LYS C CB 1 ATOM 7935 C CG . LYS C 1 203 ? -1.989 -40.488 -28.415 1.00 28.48 ? 202 LYS C CG 1 ATOM 7936 C CD . LYS C 1 203 ? -2.215 -40.761 -26.931 1.00 35.31 ? 202 LYS C CD 1 ATOM 7937 C CE . LYS C 1 203 ? -3.463 -41.579 -26.690 1.00 39.26 ? 202 LYS C CE 1 ATOM 7938 N NZ . LYS C 1 203 ? -3.978 -41.414 -25.303 1.00 43.45 ? 202 LYS C NZ 1 ATOM 7939 N N . THR C 1 204 ? -2.400 -39.552 -31.838 1.00 18.05 ? 203 THR C N 1 ATOM 7940 C CA . THR C 1 204 ? -3.290 -38.646 -32.555 1.00 18.50 ? 203 THR C CA 1 ATOM 7941 C C . THR C 1 204 ? -4.004 -39.360 -33.717 1.00 17.74 ? 203 THR C C 1 ATOM 7942 O O . THR C 1 204 ? -5.174 -39.079 -34.004 1.00 17.34 ? 203 THR C O 1 ATOM 7943 C CB . THR C 1 204 ? -2.486 -37.470 -33.122 1.00 20.09 ? 203 THR C CB 1 ATOM 7944 O OG1 . THR C 1 204 ? -1.737 -36.833 -32.063 1.00 23.19 ? 203 THR C OG1 1 ATOM 7945 C CG2 . THR C 1 204 ? -3.389 -36.455 -33.713 1.00 21.47 ? 203 THR C CG2 1 ATOM 7946 N N . LEU C 1 205 ? -3.322 -40.293 -34.372 1.00 16.62 ? 204 LEU C N 1 ATOM 7947 C CA . LEU C 1 205 ? -3.953 -41.052 -35.449 1.00 17.84 ? 204 LEU C CA 1 ATOM 7948 C C . LEU C 1 205 ? -5.133 -41.856 -34.937 1.00 17.54 ? 204 LEU C C 1 ATOM 7949 O O . LEU C 1 205 ? -6.188 -41.873 -35.571 1.00 16.82 ? 204 LEU C O 1 ATOM 7950 C CB . LEU C 1 205 ? -2.978 -42.028 -36.103 1.00 19.14 ? 204 LEU C CB 1 ATOM 7951 C CG . LEU C 1 205 ? -1.947 -41.574 -37.136 1.00 21.80 ? 204 LEU C CG 1 ATOM 7952 C CD1 . LEU C 1 205 ? -2.528 -40.983 -38.411 1.00 23.49 ? 204 LEU C CD1 1 ATOM 7953 C CD2 . LEU C 1 205 ? -0.921 -40.641 -36.571 1.00 21.35 ? 204 LEU C CD2 1 ATOM 7954 N N . ARG C 1 206 ? -4.980 -42.512 -33.795 1.00 17.78 ? 205 ARG C N 1 ATOM 7955 C CA . ARG C 1 206 ? -6.072 -43.300 -33.226 1.00 19.42 ? 205 ARG C CA 1 ATOM 7956 C C . ARG C 1 206 ? -7.231 -42.382 -32.788 1.00 18.48 ? 205 ARG C C 1 ATOM 7957 O O . ARG C 1 206 ? -8.396 -42.706 -33.013 1.00 19.07 ? 205 ARG C O 1 ATOM 7958 C CB . ARG C 1 206 ? -5.613 -44.169 -32.055 1.00 22.18 ? 205 ARG C CB 1 ATOM 7959 C CG . ARG C 1 206 ? -6.739 -44.960 -31.387 1.00 26.32 ? 205 ARG C CG 1 ATOM 7960 C CD . ARG C 1 206 ? -6.202 -45.718 -30.177 1.00 32.82 ? 205 ARG C CD 1 ATOM 7961 N NE . ARG C 1 206 ? -7.151 -46.630 -29.530 1.00 37.76 ? 205 ARG C NE 1 ATOM 7962 C CZ . ARG C 1 206 ? -8.013 -46.294 -28.579 1.00 43.48 ? 205 ARG C CZ 1 ATOM 7963 N NH1 . ARG C 1 206 ? -8.073 -45.054 -28.124 1.00 46.58 ? 205 ARG C NH1 1 ATOM 7964 N NH2 . ARG C 1 206 ? -8.835 -47.216 -28.080 1.00 45.51 ? 205 ARG C NH2 1 ATOM 7965 N N . VAL C 1 207 ? -6.899 -41.268 -32.147 1.00 18.10 ? 206 VAL C N 1 ATOM 7966 C CA . VAL C 1 207 ? -7.900 -40.299 -31.720 1.00 18.51 ? 206 VAL C CA 1 ATOM 7967 C C . VAL C 1 207 ? -8.790 -39.897 -32.897 1.00 17.85 ? 206 VAL C C 1 ATOM 7968 O O . VAL C 1 207 ? -10.034 -39.984 -32.810 1.00 18.30 ? 206 VAL C O 1 ATOM 7969 C CB . VAL C 1 207 ? -7.265 -39.044 -31.057 1.00 18.59 ? 206 VAL C CB 1 ATOM 7970 C CG1 . VAL C 1 207 ? -8.309 -37.972 -30.786 1.00 19.21 ? 206 VAL C CG1 1 ATOM 7971 C CG2 . VAL C 1 207 ? -6.549 -39.439 -29.781 1.00 19.05 ? 206 VAL C CG2 1 ATOM 7972 N N . LEU C 1 208 ? -8.171 -39.474 -33.989 1.00 16.60 ? 207 LEU C N 1 ATOM 7973 C CA . LEU C 1 208 ? -8.919 -38.989 -35.155 1.00 16.86 ? 207 LEU C CA 1 ATOM 7974 C C . LEU C 1 208 ? -9.679 -40.113 -35.853 1.00 17.50 ? 207 LEU C C 1 ATOM 7975 O O . LEU C 1 208 ? -10.789 -39.903 -36.309 1.00 16.29 ? 207 LEU C O 1 ATOM 7976 C CB . LEU C 1 208 ? -7.966 -38.300 -36.133 1.00 17.21 ? 207 LEU C CB 1 ATOM 7977 C CG . LEU C 1 208 ? -7.377 -36.991 -35.622 1.00 16.82 ? 207 LEU C CG 1 ATOM 7978 C CD1 . LEU C 1 208 ? -6.189 -36.564 -36.445 1.00 17.27 ? 207 LEU C CD1 1 ATOM 7979 C CD2 . LEU C 1 208 ? -8.433 -35.898 -35.643 1.00 17.36 ? 207 LEU C CD2 1 ATOM 7980 N N . ALA C 1 209 ? -9.069 -41.297 -35.958 1.00 17.31 ? 208 ALA C N 1 ATOM 7981 C CA . ALA C 1 209 ? -9.698 -42.408 -36.677 1.00 18.64 ? 208 ALA C CA 1 ATOM 7982 C C . ALA C 1 209 ? -10.905 -42.945 -35.932 1.00 19.69 ? 208 ALA C C 1 ATOM 7983 O O . ALA C 1 209 ? -12.008 -43.016 -36.493 1.00 19.38 ? 208 ALA C O 1 ATOM 7984 C CB . ALA C 1 209 ? -8.692 -43.536 -36.951 1.00 17.97 ? 208 ALA C CB 1 ATOM 7985 N N . SER C 1 210 ? -10.710 -43.309 -34.671 1.00 20.25 ? 209 SER C N 1 ATOM 7986 C CA . SER C 1 210 ? -11.685 -44.101 -33.951 1.00 21.87 ? 209 SER C CA 1 ATOM 7987 C C . SER C 1 210 ? -12.079 -43.566 -32.581 1.00 23.10 ? 209 SER C C 1 ATOM 7988 O O . SER C 1 210 ? -12.889 -44.187 -31.897 1.00 24.66 ? 209 SER C O 1 ATOM 7989 C CB . SER C 1 210 ? -11.205 -45.579 -33.889 1.00 23.58 ? 209 SER C CB 1 ATOM 7990 O OG . SER C 1 210 ? -9.895 -45.721 -33.423 1.00 24.21 ? 209 SER C OG 1 ATOM 7991 N N . GLY C 1 211 ? -11.551 -42.404 -32.187 1.00 22.40 ? 210 GLY C N 1 ATOM 7992 C CA . GLY C 1 211 ? -11.900 -41.758 -30.923 1.00 23.12 ? 210 GLY C CA 1 ATOM 7993 C C . GLY C 1 211 ? -11.089 -42.302 -29.758 1.00 26.01 ? 210 GLY C C 1 ATOM 7994 O O . GLY C 1 211 ? -10.540 -43.401 -29.828 1.00 26.26 ? 210 GLY C O 1 ATOM 7995 N N . ASP C 1 212 ? -11.034 -41.546 -28.673 1.00 27.75 ? 211 ASP C N 1 ATOM 7996 C CA . ASP C 1 212 ? -10.351 -41.980 -27.473 1.00 29.45 ? 211 ASP C CA 1 ATOM 7997 C C . ASP C 1 212 ? -11.192 -41.592 -26.261 1.00 31.70 ? 211 ASP C C 1 ATOM 7998 O O . ASP C 1 212 ? -11.240 -40.415 -25.881 1.00 31.36 ? 211 ASP C O 1 ATOM 7999 C CB . ASP C 1 212 ? -8.969 -41.328 -27.389 1.00 30.84 ? 211 ASP C CB 1 ATOM 8000 C CG . ASP C 1 212 ? -8.153 -41.813 -26.198 1.00 34.81 ? 211 ASP C CG 1 ATOM 8001 O OD1 . ASP C 1 212 ? -8.612 -42.674 -25.418 1.00 34.72 ? 211 ASP C OD1 1 ATOM 8002 O OD2 . ASP C 1 212 ? -7.026 -41.313 -26.041 1.00 39.07 ? 211 ASP C OD2 1 ATOM 8003 N N . ASN C 1 213 ? -11.839 -42.581 -25.659 1.00 33.21 ? 212 ASN C N 1 ATOM 8004 C CA . ASN C 1 213 ? -12.648 -42.348 -24.461 1.00 38.17 ? 212 ASN C CA 1 ATOM 8005 C C . ASN C 1 213 ? -11.892 -42.609 -23.161 1.00 45.52 ? 212 ASN C C 1 ATOM 8006 O O . ASN C 1 213 ? -12.517 -42.712 -22.098 1.00 45.32 ? 212 ASN C O 1 ATOM 8007 C CB . ASN C 1 213 ? -13.944 -43.157 -24.530 1.00 40.04 ? 212 ASN C CB 1 ATOM 8008 C CG . ASN C 1 213 ? -13.704 -44.649 -24.363 1.00 42.07 ? 212 ASN C CG 1 ATOM 8009 O OD1 . ASN C 1 213 ? -12.563 -45.092 -24.317 1.00 42.07 ? 212 ASN C OD1 1 ATOM 8010 N ND2 . ASN C 1 213 ? -14.765 -45.423 -24.284 1.00 42.15 ? 212 ASN C ND2 1 ATOM 8011 N N . ASN C 1 214 ? -10.566 -42.759 -23.254 1.00 48.29 ? 213 ASN C N 1 ATOM 8012 C CA . ASN C 1 214 ? -9.692 -42.727 -22.097 1.00 54.18 ? 213 ASN C CA 1 ATOM 8013 C C . ASN C 1 214 ? -10.009 -43.768 -21.048 1.00 55.82 ? 213 ASN C C 1 ATOM 8014 O O . ASN C 1 214 ? -9.621 -43.583 -19.918 1.00 56.84 ? 213 ASN C O 1 ATOM 8015 C CB . ASN C 1 214 ? -9.786 -41.332 -21.483 1.00 58.19 ? 213 ASN C CB 1 ATOM 8016 C CG . ASN C 1 214 ? -8.620 -40.988 -20.572 1.00 62.17 ? 213 ASN C CG 1 ATOM 8017 O OD1 . ASN C 1 214 ? -7.677 -41.764 -20.399 1.00 65.45 ? 213 ASN C OD1 1 ATOM 8018 N ND2 . ASN C 1 214 ? -8.674 -39.796 -19.996 1.00 62.51 ? 213 ASN C ND2 1 ATOM 8019 N N . ARG C 1 215 ? -10.711 -44.839 -21.433 1.00 60.46 ? 214 ARG C N 1 ATOM 8020 C CA . ARG C 1 215 ? -11.166 -45.921 -20.526 1.00 66.86 ? 214 ARG C CA 1 ATOM 8021 C C . ARG C 1 215 ? -12.275 -45.490 -19.558 1.00 66.05 ? 214 ARG C C 1 ATOM 8022 O O . ARG C 1 215 ? -12.458 -46.077 -18.492 1.00 69.87 ? 214 ARG C O 1 ATOM 8023 C CB . ARG C 1 215 ? -9.984 -46.600 -19.826 1.00 70.56 ? 214 ARG C CB 1 ATOM 8024 C CG . ARG C 1 215 ? -9.146 -47.370 -20.834 1.00 74.28 ? 214 ARG C CG 1 ATOM 8025 C CD . ARG C 1 215 ? -8.087 -48.252 -20.184 1.00 79.29 ? 214 ARG C CD 1 ATOM 8026 N NE . ARG C 1 215 ? -6.921 -48.392 -21.049 1.00 83.26 ? 214 ARG C NE 1 ATOM 8027 C CZ . ARG C 1 215 ? -5.780 -48.968 -20.684 1.00 85.57 ? 214 ARG C CZ 1 ATOM 8028 N NH1 . ARG C 1 215 ? -5.635 -49.469 -19.463 1.00 86.36 ? 214 ARG C NH1 1 ATOM 8029 N NH2 . ARG C 1 215 ? -4.776 -49.043 -21.550 1.00 89.35 ? 214 ARG C NH2 1 ATOM 8030 N N . ILE C 1 216 ? -12.996 -44.446 -19.969 1.00 64.84 ? 215 ILE C N 1 ATOM 8031 C CA . ILE C 1 216 ? -14.291 -44.058 -19.425 1.00 60.59 ? 215 ILE C CA 1 ATOM 8032 C C . ILE C 1 216 ? -15.344 -44.738 -20.307 1.00 62.59 ? 215 ILE C C 1 ATOM 8033 O O . ILE C 1 216 ? -15.791 -44.124 -21.268 1.00 66.89 ? 215 ILE C O 1 ATOM 8034 C CB . ILE C 1 216 ? -14.449 -42.527 -19.442 1.00 59.81 ? 215 ILE C CB 1 ATOM 8035 C CG1 . ILE C 1 216 ? -13.361 -41.903 -18.568 1.00 56.93 ? 215 ILE C CG1 1 ATOM 8036 C CG2 . ILE C 1 216 ? -15.829 -42.102 -18.937 1.00 61.35 ? 215 ILE C CG2 1 ATOM 8037 C CD1 . ILE C 1 216 ? -13.025 -40.491 -18.955 1.00 55.08 ? 215 ILE C CD1 1 ATOM 8038 N N . PRO C 1 217 ? -15.715 -46.013 -20.009 1.00 64.71 ? 216 PRO C N 1 ATOM 8039 C CA . PRO C 1 217 ? -16.625 -46.801 -20.863 1.00 64.91 ? 216 PRO C CA 1 ATOM 8040 C C . PRO C 1 217 ? -18.040 -46.249 -21.012 1.00 64.36 ? 216 PRO C C 1 ATOM 8041 O O . PRO C 1 217 ? -18.749 -46.639 -21.946 1.00 66.03 ? 216 PRO C O 1 ATOM 8042 C CB . PRO C 1 217 ? -16.690 -48.166 -20.152 1.00 67.59 ? 216 PRO C CB 1 ATOM 8043 C CG . PRO C 1 217 ? -16.334 -47.877 -18.740 1.00 66.99 ? 216 PRO C CG 1 ATOM 8044 C CD . PRO C 1 217 ? -15.279 -46.811 -18.846 1.00 66.08 ? 216 PRO C CD 1 ATOM 8045 N N . VAL C 1 218 ? -18.461 -45.373 -20.102 1.00 59.97 ? 217 VAL C N 1 ATOM 8046 C CA . VAL C 1 218 ? -19.763 -44.742 -20.245 1.00 58.12 ? 217 VAL C CA 1 ATOM 8047 C C . VAL C 1 218 ? -19.756 -43.688 -21.366 1.00 53.86 ? 217 VAL C C 1 ATOM 8048 O O . VAL C 1 218 ? -20.805 -43.167 -21.727 1.00 50.21 ? 217 VAL C O 1 ATOM 8049 C CB . VAL C 1 218 ? -20.260 -44.147 -18.902 1.00 60.23 ? 217 VAL C CB 1 ATOM 8050 C CG1 . VAL C 1 218 ? -19.565 -42.829 -18.579 1.00 60.52 ? 217 VAL C CG1 1 ATOM 8051 C CG2 . VAL C 1 218 ? -21.772 -43.974 -18.923 1.00 62.98 ? 217 VAL C CG2 1 ATOM 8052 N N . ILE C 1 219 ? -18.577 -43.339 -21.884 1.00 47.84 ? 218 ILE C N 1 ATOM 8053 C CA . ILE C 1 219 ? -18.491 -42.479 -23.072 1.00 47.22 ? 218 ILE C CA 1 ATOM 8054 C C . ILE C 1 219 ? -18.090 -43.331 -24.267 1.00 43.10 ? 218 ILE C C 1 ATOM 8055 O O . ILE C 1 219 ? -17.035 -43.910 -24.236 1.00 42.36 ? 218 ILE C O 1 ATOM 8056 C CB . ILE C 1 219 ? -17.453 -41.342 -22.876 1.00 48.19 ? 218 ILE C CB 1 ATOM 8057 C CG1 . ILE C 1 219 ? -17.694 -40.612 -21.561 1.00 47.50 ? 218 ILE C CG1 1 ATOM 8058 C CG2 . ILE C 1 219 ? -17.512 -40.332 -24.017 1.00 49.93 ? 218 ILE C CG2 1 ATOM 8059 C CD1 . ILE C 1 219 ? -16.630 -39.594 -21.221 1.00 48.05 ? 218 ILE C CD1 1 ATOM 8060 N N . GLY C 1 220 ? -18.937 -43.444 -25.285 1.00 40.64 ? 219 GLY C N 1 ATOM 8061 C CA . GLY C 1 220 ? -18.585 -44.186 -26.493 1.00 40.49 ? 219 GLY C CA 1 ATOM 8062 C C . GLY C 1 220 ? -17.418 -43.484 -27.176 1.00 38.39 ? 219 GLY C C 1 ATOM 8063 O O . GLY C 1 220 ? -17.372 -42.249 -27.220 1.00 35.19 ? 219 GLY C O 1 ATOM 8064 N N . PRO C 1 221 ? -16.435 -44.257 -27.655 1.00 37.05 ? 220 PRO C N 1 ATOM 8065 C CA . PRO C 1 221 ? -15.325 -43.590 -28.337 1.00 33.83 ? 220 PRO C CA 1 ATOM 8066 C C . PRO C 1 221 ? -15.807 -42.874 -29.613 1.00 31.58 ? 220 PRO C C 1 ATOM 8067 O O . PRO C 1 221 ? -15.290 -41.821 -29.936 1.00 29.49 ? 220 PRO C O 1 ATOM 8068 C CB . PRO C 1 221 ? -14.367 -44.750 -28.656 1.00 34.94 ? 220 PRO C CB 1 ATOM 8069 C CG . PRO C 1 221 ? -15.239 -45.963 -28.707 1.00 36.36 ? 220 PRO C CG 1 ATOM 8070 C CD . PRO C 1 221 ? -16.276 -45.724 -27.638 1.00 37.79 ? 220 PRO C CD 1 ATOM 8071 N N . LEU C 1 222 ? -16.784 -43.433 -30.324 1.00 33.18 ? 221 LEU C N 1 ATOM 8072 C CA . LEU C 1 222 ? -17.276 -42.822 -31.570 1.00 34.04 ? 221 LEU C CA 1 ATOM 8073 C C . LEU C 1 222 ? -18.037 -41.522 -31.316 1.00 34.13 ? 221 LEU C C 1 ATOM 8074 O O . LEU C 1 222 ? -18.087 -40.648 -32.177 1.00 31.96 ? 221 LEU C O 1 ATOM 8075 C CB . LEU C 1 222 ? -18.134 -43.789 -32.374 1.00 35.17 ? 221 LEU C CB 1 ATOM 8076 C CG . LEU C 1 222 ? -17.468 -45.086 -32.855 1.00 36.95 ? 221 LEU C CG 1 ATOM 8077 C CD1 . LEU C 1 222 ? -18.415 -45.859 -33.762 1.00 37.97 ? 221 LEU C CD1 1 ATOM 8078 C CD2 . LEU C 1 222 ? -16.143 -44.832 -33.569 1.00 36.28 ? 221 LEU C CD2 1 ATOM 8079 N N . LYS C 1 223 ? -18.600 -41.392 -30.123 1.00 34.36 ? 222 LYS C N 1 ATOM 8080 C CA . LYS C 1 223 ? -19.298 -40.177 -29.717 1.00 35.10 ? 222 LYS C CA 1 ATOM 8081 C C . LYS C 1 223 ? -18.308 -39.061 -29.419 1.00 32.58 ? 222 LYS C C 1 ATOM 8082 O O . LYS C 1 223 ? -18.400 -37.976 -29.982 1.00 31.74 ? 222 LYS C O 1 ATOM 8083 C CB . LYS C 1 223 ? -20.176 -40.510 -28.493 1.00 37.92 ? 222 LYS C CB 1 ATOM 8084 C CG . LYS C 1 223 ? -21.014 -39.408 -27.877 1.00 39.01 ? 222 LYS C CG 1 ATOM 8085 C CD . LYS C 1 223 ? -21.897 -38.687 -28.892 1.00 39.64 ? 222 LYS C CD 1 ATOM 8086 C CE . LYS C 1 223 ? -22.839 -39.552 -29.688 1.00 41.42 ? 222 LYS C CE 1 ATOM 8087 N NZ . LYS C 1 223 ? -24.135 -39.851 -29.036 1.00 40.74 ? 222 LYS C NZ 1 ATOM 8088 N N . ILE C 1 224 ? -17.329 -39.332 -28.566 1.00 30.16 ? 223 ILE C N 1 ATOM 8089 C CA . ILE C 1 224 ? -16.329 -38.327 -28.205 1.00 29.66 ? 223 ILE C CA 1 ATOM 8090 C C . ILE C 1 224 ? -15.399 -37.959 -29.383 1.00 27.38 ? 223 ILE C C 1 ATOM 8091 O O . ILE C 1 224 ? -14.855 -36.844 -29.430 1.00 27.08 ? 223 ILE C O 1 ATOM 8092 C CB . ILE C 1 224 ? -15.495 -38.773 -26.981 1.00 31.43 ? 223 ILE C CB 1 ATOM 8093 C CG1 . ILE C 1 224 ? -14.726 -37.604 -26.380 1.00 34.17 ? 223 ILE C CG1 1 ATOM 8094 C CG2 . ILE C 1 224 ? -14.533 -39.896 -27.322 1.00 31.32 ? 223 ILE C CG2 1 ATOM 8095 C CD1 . ILE C 1 224 ? -15.632 -36.522 -25.823 1.00 36.45 ? 223 ILE C CD1 1 ATOM 8096 N N . ARG C 1 225 ? -15.261 -38.872 -30.344 1.00 24.15 ? 224 ARG C N 1 ATOM 8097 C CA . ARG C 1 225 ? -14.474 -38.603 -31.559 1.00 23.29 ? 224 ARG C CA 1 ATOM 8098 C C . ARG C 1 225 ? -14.946 -37.324 -32.257 1.00 22.86 ? 224 ARG C C 1 ATOM 8099 O O . ARG C 1 225 ? -14.154 -36.581 -32.827 1.00 21.84 ? 224 ARG C O 1 ATOM 8100 C CB . ARG C 1 225 ? -14.583 -39.791 -32.503 1.00 22.97 ? 224 ARG C CB 1 ATOM 8101 C CG . ARG C 1 225 ? -13.661 -39.699 -33.711 1.00 22.55 ? 224 ARG C CG 1 ATOM 8102 C CD . ARG C 1 225 ? -13.835 -40.903 -34.618 1.00 22.29 ? 224 ARG C CD 1 ATOM 8103 N NE . ARG C 1 225 ? -15.172 -40.974 -35.213 1.00 22.39 ? 224 ARG C NE 1 ATOM 8104 C CZ . ARG C 1 225 ? -15.597 -41.965 -35.999 1.00 23.88 ? 224 ARG C CZ 1 ATOM 8105 N NH1 . ARG C 1 225 ? -14.801 -42.978 -36.333 1.00 22.17 ? 224 ARG C NH1 1 ATOM 8106 N NH2 . ARG C 1 225 ? -16.846 -41.971 -36.437 1.00 25.56 ? 224 ARG C NH2 1 ATOM 8107 N N . GLU C 1 226 ? -16.252 -37.070 -32.194 1.00 23.87 ? 225 GLU C N 1 ATOM 8108 C CA . GLU C 1 226 ? -16.829 -35.874 -32.817 1.00 25.86 ? 225 GLU C CA 1 ATOM 8109 C C . GLU C 1 226 ? -16.163 -34.602 -32.297 1.00 24.10 ? 225 GLU C C 1 ATOM 8110 O O . GLU C 1 226 ? -15.799 -33.714 -33.074 1.00 25.39 ? 225 GLU C O 1 ATOM 8111 C CB . GLU C 1 226 ? -18.345 -35.822 -32.589 1.00 28.16 ? 225 GLU C CB 1 ATOM 8112 C CG . GLU C 1 226 ? -19.161 -36.999 -33.113 1.00 32.29 ? 225 GLU C CG 1 ATOM 8113 C CD . GLU C 1 226 ? -20.599 -37.018 -32.578 1.00 37.77 ? 225 GLU C CD 1 ATOM 8114 O OE1 . GLU C 1 226 ? -21.296 -38.064 -32.590 1.00 40.32 ? 225 GLU C OE1 1 ATOM 8115 O OE2 . GLU C 1 226 ? -21.043 -35.936 -32.183 1.00 39.79 ? 225 GLU C OE2 1 ATOM 8116 N N . GLN C 1 227 ? -16.000 -34.492 -30.985 1.00 23.60 ? 226 GLN C N 1 ATOM 8117 C CA . GLN C 1 227 ? -15.355 -33.313 -30.410 1.00 22.51 ? 226 GLN C CA 1 ATOM 8118 C C . GLN C 1 227 ? -13.873 -33.302 -30.708 1.00 21.04 ? 226 GLN C C 1 ATOM 8119 O O . GLN C 1 227 ? -13.320 -32.254 -31.046 1.00 19.61 ? 226 GLN C O 1 ATOM 8120 C CB . GLN C 1 227 ? -15.529 -33.245 -28.892 1.00 23.91 ? 226 GLN C CB 1 ATOM 8121 C CG . GLN C 1 227 ? -14.911 -31.992 -28.240 1.00 23.77 ? 226 GLN C CG 1 ATOM 8122 C CD . GLN C 1 227 ? -13.418 -32.045 -27.959 1.00 24.93 ? 226 GLN C CD 1 ATOM 8123 O OE1 . GLN C 1 227 ? -12.715 -31.033 -28.091 1.00 26.38 ? 226 GLN C OE1 1 ATOM 8124 N NE2 . GLN C 1 227 ? -12.926 -33.187 -27.551 1.00 23.86 ? 226 GLN C NE2 1 ATOM 8125 N N . GLN C 1 228 ? -13.246 -34.465 -30.609 1.00 19.43 ? 227 GLN C N 1 ATOM 8126 C CA . GLN C 1 228 ? -11.796 -34.544 -30.777 1.00 19.65 ? 227 GLN C CA 1 ATOM 8127 C C . GLN C 1 228 ? -11.386 -34.128 -32.201 1.00 18.13 ? 227 GLN C C 1 ATOM 8128 O O . GLN C 1 228 ? -10.425 -33.396 -32.394 1.00 17.23 ? 227 GLN C O 1 ATOM 8129 C CB . GLN C 1 228 ? -11.317 -35.956 -30.401 1.00 20.81 ? 227 GLN C CB 1 ATOM 8130 C CG . GLN C 1 228 ? -11.476 -36.235 -28.905 1.00 22.50 ? 227 GLN C CG 1 ATOM 8131 C CD . GLN C 1 228 ? -11.354 -37.712 -28.492 1.00 24.80 ? 227 GLN C CD 1 ATOM 8132 O OE1 . GLN C 1 228 ? -11.722 -38.643 -29.226 1.00 24.25 ? 227 GLN C OE1 1 ATOM 8133 N NE2 . GLN C 1 228 ? -10.890 -37.923 -27.254 1.00 26.56 ? 227 GLN C NE2 1 ATOM 8134 N N . ARG C 1 229 ? -12.152 -34.539 -33.191 1.00 17.03 ? 228 ARG C N 1 ATOM 8135 C CA . ARG C 1 229 ? -11.893 -34.132 -34.572 1.00 17.32 ? 228 ARG C CA 1 ATOM 8136 C C . ARG C 1 229 ? -12.090 -32.638 -34.796 1.00 18.00 ? 228 ARG C C 1 ATOM 8137 O O . ARG C 1 229 ? -11.376 -32.029 -35.601 1.00 17.83 ? 228 ARG C O 1 ATOM 8138 C CB . ARG C 1 229 ? -12.825 -34.884 -35.536 1.00 17.63 ? 228 ARG C CB 1 ATOM 8139 C CG . ARG C 1 229 ? -12.453 -36.347 -35.750 1.00 17.11 ? 228 ARG C CG 1 ATOM 8140 C CD . ARG C 1 229 ? -13.481 -37.040 -36.617 1.00 17.76 ? 228 ARG C CD 1 ATOM 8141 N NE . ARG C 1 229 ? -13.061 -38.379 -36.957 1.00 17.52 ? 228 ARG C NE 1 ATOM 8142 C CZ . ARG C 1 229 ? -13.699 -39.184 -37.789 1.00 18.23 ? 228 ARG C CZ 1 ATOM 8143 N NH1 . ARG C 1 229 ? -14.841 -38.810 -38.367 1.00 18.13 ? 228 ARG C NH1 1 ATOM 8144 N NH2 . ARG C 1 229 ? -13.207 -40.385 -38.029 1.00 18.45 ? 228 ARG C NH2 1 ATOM 8145 N N . SER C 1 230 ? -13.091 -32.052 -34.128 1.00 18.20 ? 229 SER C N 1 ATOM 8146 C CA . SER C 1 230 ? -13.447 -30.638 -34.350 1.00 18.64 ? 229 SER C CA 1 ATOM 8147 C C . SER C 1 230 ? -12.408 -29.665 -33.816 1.00 18.71 ? 229 SER C C 1 ATOM 8148 O O . SER C 1 230 ? -12.297 -28.499 -34.299 1.00 20.25 ? 229 SER C O 1 ATOM 8149 C CB . SER C 1 230 ? -14.800 -30.318 -33.720 1.00 19.30 ? 229 SER C CB 1 ATOM 8150 O OG . SER C 1 230 ? -14.689 -30.149 -32.315 1.00 19.25 ? 229 SER C OG 1 ATOM 8151 N N . ALA C 1 231 ? -11.606 -30.138 -32.865 1.00 18.27 ? 230 ALA C N 1 ATOM 8152 C CA . ALA C 1 231 ? -10.532 -29.334 -32.319 1.00 17.95 ? 230 ALA C CA 1 ATOM 8153 C C . ALA C 1 231 ? -9.296 -29.330 -33.247 1.00 18.05 ? 230 ALA C C 1 ATOM 8154 O O . ALA C 1 231 ? -8.647 -30.337 -33.464 1.00 17.89 ? 230 ALA C O 1 ATOM 8155 C CB . ALA C 1 231 ? -10.174 -29.830 -30.928 1.00 18.51 ? 230 ALA C CB 1 ATOM 8156 N N . VAL C 1 232 ? -8.976 -28.153 -33.778 1.00 18.22 ? 231 VAL C N 1 ATOM 8157 C CA . VAL C 1 232 ? -7.820 -27.963 -34.671 1.00 17.78 ? 231 VAL C CA 1 ATOM 8158 C C . VAL C 1 232 ? -6.526 -28.462 -34.029 1.00 17.69 ? 231 VAL C C 1 ATOM 8159 O O . VAL C 1 232 ? -5.656 -29.029 -34.708 1.00 17.58 ? 231 VAL C O 1 ATOM 8160 C CB . VAL C 1 232 ? -7.637 -26.487 -35.078 1.00 19.07 ? 231 VAL C CB 1 ATOM 8161 C CG1 . VAL C 1 232 ? -6.518 -26.342 -36.098 1.00 18.46 ? 231 VAL C CG1 1 ATOM 8162 C CG2 . VAL C 1 232 ? -8.926 -25.915 -35.650 1.00 20.06 ? 231 VAL C CG2 1 ATOM 8163 N N . SER C 1 233 ? -6.410 -28.300 -32.717 1.00 17.02 ? 232 SER C N 1 ATOM 8164 C CA . SER C 1 233 ? -5.203 -28.699 -32.012 1.00 17.13 ? 232 SER C CA 1 ATOM 8165 C C . SER C 1 233 ? -4.921 -30.208 -32.133 1.00 16.75 ? 232 SER C C 1 ATOM 8166 O O . SER C 1 233 ? -3.762 -30.625 -32.094 1.00 16.60 ? 232 SER C O 1 ATOM 8167 C CB . SER C 1 233 ? -5.278 -28.295 -30.531 1.00 17.42 ? 232 SER C CB 1 ATOM 8168 O OG . SER C 1 233 ? -6.460 -28.786 -29.935 1.00 18.44 ? 232 SER C OG 1 ATOM 8169 N N . THR C 1 234 ? -5.959 -31.028 -32.332 1.00 16.90 ? 233 THR C N 1 ATOM 8170 C CA . THR C 1 234 ? -5.721 -32.474 -32.535 1.00 17.63 ? 233 THR C CA 1 ATOM 8171 C C . THR C 1 234 ? -4.927 -32.780 -33.829 1.00 17.29 ? 233 THR C C 1 ATOM 8172 O O . THR C 1 234 ? -3.891 -33.455 -33.796 1.00 17.94 ? 233 THR C O 1 ATOM 8173 C CB . THR C 1 234 ? -7.023 -33.257 -32.564 1.00 18.52 ? 233 THR C CB 1 ATOM 8174 O OG1 . THR C 1 234 ? -7.775 -32.927 -31.400 1.00 18.27 ? 233 THR C OG1 1 ATOM 8175 C CG2 . THR C 1 234 ? -6.734 -34.748 -32.579 1.00 19.31 ? 233 THR C CG2 1 ATOM 8176 N N . SER C 1 235 ? -5.368 -32.210 -34.947 1.00 16.68 ? 234 SER C N 1 ATOM 8177 C CA . SER C 1 235 ? -4.663 -32.386 -36.222 1.00 16.80 ? 234 SER C CA 1 ATOM 8178 C C . SER C 1 235 ? -3.279 -31.729 -36.235 1.00 16.10 ? 234 SER C C 1 ATOM 8179 O O . SER C 1 235 ? -2.364 -32.215 -36.893 1.00 15.89 ? 234 SER C O 1 ATOM 8180 C CB . SER C 1 235 ? -5.510 -31.838 -37.366 1.00 17.58 ? 234 SER C CB 1 ATOM 8181 O OG . SER C 1 235 ? -6.667 -32.664 -37.492 1.00 18.75 ? 234 SER C OG 1 ATOM 8182 N N . TRP C 1 236 ? -3.142 -30.617 -35.516 1.00 15.78 ? 235 TRP C N 1 ATOM 8183 C CA . TRP C 1 236 ? -1.851 -29.952 -35.375 1.00 15.92 ? 235 TRP C CA 1 ATOM 8184 C C . TRP C 1 236 ? -0.773 -30.872 -34.786 1.00 15.95 ? 235 TRP C C 1 ATOM 8185 O O . TRP C 1 236 ? 0.416 -30.717 -35.093 1.00 16.84 ? 235 TRP C O 1 ATOM 8186 C CB . TRP C 1 236 ? -2.055 -28.705 -34.479 1.00 16.03 ? 235 TRP C CB 1 ATOM 8187 C CG . TRP C 1 236 ? -0.831 -27.870 -34.223 1.00 15.29 ? 235 TRP C CG 1 ATOM 8188 C CD1 . TRP C 1 236 ? 0.103 -27.503 -35.114 1.00 16.00 ? 235 TRP C CD1 1 ATOM 8189 C CD2 . TRP C 1 236 ? -0.473 -27.255 -32.987 1.00 15.52 ? 235 TRP C CD2 1 ATOM 8190 N NE1 . TRP C 1 236 ? 1.057 -26.729 -34.514 1.00 16.70 ? 235 TRP C NE1 1 ATOM 8191 C CE2 . TRP C 1 236 ? 0.728 -26.567 -33.198 1.00 16.49 ? 235 TRP C CE2 1 ATOM 8192 C CE3 . TRP C 1 236 ? -1.024 -27.255 -31.722 1.00 15.47 ? 235 TRP C CE3 1 ATOM 8193 C CZ2 . TRP C 1 236 ? 1.372 -25.851 -32.187 1.00 16.79 ? 235 TRP C CZ2 1 ATOM 8194 C CZ3 . TRP C 1 236 ? -0.388 -26.542 -30.720 1.00 16.25 ? 235 TRP C CZ3 1 ATOM 8195 C CH2 . TRP C 1 236 ? 0.791 -25.845 -30.967 1.00 16.18 ? 235 TRP C CH2 1 ATOM 8196 N N . LEU C 1 237 ? -1.176 -31.810 -33.938 1.00 16.09 ? 236 LEU C N 1 ATOM 8197 C CA . LEU C 1 237 ? -0.242 -32.693 -33.262 1.00 17.07 ? 236 LEU C CA 1 ATOM 8198 C C . LEU C 1 237 ? -0.024 -34.066 -33.912 1.00 16.26 ? 236 LEU C C 1 ATOM 8199 O O . LEU C 1 237 ? 0.562 -34.965 -33.292 1.00 16.07 ? 236 LEU C O 1 ATOM 8200 C CB . LEU C 1 237 ? -0.638 -32.808 -31.790 1.00 19.37 ? 236 LEU C CB 1 ATOM 8201 C CG . LEU C 1 237 ? -0.446 -31.478 -31.035 1.00 22.93 ? 236 LEU C CG 1 ATOM 8202 C CD1 . LEU C 1 237 ? -0.800 -31.717 -29.589 1.00 25.30 ? 236 LEU C CD1 1 ATOM 8203 C CD2 . LEU C 1 237 ? 0.962 -30.918 -31.152 1.00 25.02 ? 236 LEU C CD2 1 ATOM 8204 N N . LEU C 1 238 ? -0.466 -34.249 -35.154 1.00 15.19 ? 237 LEU C N 1 ATOM 8205 C CA . LEU C 1 238 ? -0.071 -35.448 -35.905 1.00 15.17 ? 237 LEU C CA 1 ATOM 8206 C C . LEU C 1 238 ? 1.457 -35.446 -36.069 1.00 14.73 ? 237 LEU C C 1 ATOM 8207 O O . LEU C 1 238 ? 2.055 -34.367 -36.180 1.00 14.53 ? 237 LEU C O 1 ATOM 8208 C CB . LEU C 1 238 ? -0.727 -35.510 -37.290 1.00 15.60 ? 237 LEU C CB 1 ATOM 8209 C CG . LEU C 1 238 ? -2.212 -35.829 -37.318 1.00 15.98 ? 237 LEU C CG 1 ATOM 8210 C CD1 . LEU C 1 238 ? -2.798 -35.420 -38.679 1.00 17.17 ? 237 LEU C CD1 1 ATOM 8211 C CD2 . LEU C 1 238 ? -2.398 -37.312 -37.097 1.00 16.83 ? 237 LEU C CD2 1 ATOM 8212 N N . PRO C 1 239 ? 2.069 -36.648 -36.111 1.00 14.44 ? 238 PRO C N 1 ATOM 8213 C CA . PRO C 1 239 ? 3.502 -36.785 -36.353 1.00 14.97 ? 238 PRO C CA 1 ATOM 8214 C C . PRO C 1 239 ? 4.075 -35.936 -37.493 1.00 15.59 ? 238 PRO C C 1 ATOM 8215 O O . PRO C 1 239 ? 3.491 -35.840 -38.572 1.00 15.84 ? 238 PRO C O 1 ATOM 8216 C CB . PRO C 1 239 ? 3.669 -38.277 -36.648 1.00 15.22 ? 238 PRO C CB 1 ATOM 8217 C CG . PRO C 1 239 ? 2.607 -38.904 -35.834 1.00 14.70 ? 238 PRO C CG 1 ATOM 8218 C CD . PRO C 1 239 ? 1.438 -37.965 -35.942 1.00 14.47 ? 238 PRO C CD 1 ATOM 8219 N N . TYR C 1 240 ? 5.239 -35.343 -37.220 1.00 16.16 ? 239 TYR C N 1 ATOM 8220 C CA . TYR C 1 240 ? 5.971 -34.517 -38.172 1.00 17.04 ? 239 TYR C CA 1 ATOM 8221 C C . TYR C 1 240 ? 7.230 -35.199 -38.685 1.00 17.57 ? 239 TYR C C 1 ATOM 8222 O O . TYR C 1 240 ? 7.827 -35.999 -37.964 1.00 17.55 ? 239 TYR C O 1 ATOM 8223 C CB . TYR C 1 240 ? 6.402 -33.215 -37.516 1.00 17.13 ? 239 TYR C CB 1 ATOM 8224 C CG . TYR C 1 240 ? 5.286 -32.228 -37.289 1.00 17.44 ? 239 TYR C CG 1 ATOM 8225 C CD1 . TYR C 1 240 ? 4.446 -32.333 -36.178 1.00 17.51 ? 239 TYR C CD1 1 ATOM 8226 C CD2 . TYR C 1 240 ? 5.081 -31.173 -38.178 1.00 17.90 ? 239 TYR C CD2 1 ATOM 8227 C CE1 . TYR C 1 240 ? 3.393 -31.421 -35.976 1.00 17.60 ? 239 TYR C CE1 1 ATOM 8228 C CE2 . TYR C 1 240 ? 4.059 -30.261 -37.967 1.00 18.55 ? 239 TYR C CE2 1 ATOM 8229 C CZ . TYR C 1 240 ? 3.223 -30.386 -36.870 1.00 18.37 ? 239 TYR C CZ 1 ATOM 8230 O OH . TYR C 1 240 ? 2.175 -29.483 -36.705 1.00 19.13 ? 239 TYR C OH 1 ATOM 8231 N N . ASN C 1 241 ? 7.620 -34.881 -39.926 1.00 19.24 ? 240 ASN C N 1 ATOM 8232 C CA . ASN C 1 241 ? 8.813 -35.495 -40.547 1.00 21.39 ? 240 ASN C CA 1 ATOM 8233 C C . ASN C 1 241 ? 10.142 -35.019 -40.005 1.00 23.24 ? 240 ASN C C 1 ATOM 8234 O O . ASN C 1 241 ? 11.165 -35.572 -40.380 1.00 24.02 ? 240 ASN C O 1 ATOM 8235 C CB . ASN C 1 241 ? 8.841 -35.383 -42.072 1.00 24.10 ? 240 ASN C CB 1 ATOM 8236 C CG . ASN C 1 241 ? 8.699 -33.967 -42.558 1.00 25.63 ? 240 ASN C CG 1 ATOM 8237 O OD1 . ASN C 1 241 ? 8.957 -32.999 -41.829 1.00 25.42 ? 240 ASN C OD1 1 ATOM 8238 N ND2 . ASN C 1 241 ? 8.276 -33.837 -43.810 1.00 29.08 ? 240 ASN C ND2 1 ATOM 8239 N N . TYR C 1 242 ? 10.164 -34.037 -39.117 1.00 22.27 ? 241 TYR C N 1 ATOM 8240 C CA . TYR C 1 242 ? 11.448 -33.688 -38.484 1.00 25.11 ? 241 TYR C CA 1 ATOM 8241 C C . TYR C 1 242 ? 11.780 -34.575 -37.280 1.00 25.68 ? 241 TYR C C 1 ATOM 8242 O O . TYR C 1 242 ? 12.891 -34.523 -36.764 1.00 25.50 ? 241 TYR C O 1 ATOM 8243 C CB . TYR C 1 242 ? 11.532 -32.204 -38.142 1.00 25.64 ? 241 TYR C CB 1 ATOM 8244 C CG . TYR C 1 242 ? 10.418 -31.657 -37.300 1.00 25.75 ? 241 TYR C CG 1 ATOM 8245 C CD1 . TYR C 1 242 ? 10.403 -31.848 -35.907 1.00 26.34 ? 241 TYR C CD1 1 ATOM 8246 C CD2 . TYR C 1 242 ? 9.401 -30.901 -37.867 1.00 25.99 ? 241 TYR C CD2 1 ATOM 8247 C CE1 . TYR C 1 242 ? 9.380 -31.321 -35.109 1.00 27.12 ? 241 TYR C CE1 1 ATOM 8248 C CE2 . TYR C 1 242 ? 8.383 -30.371 -37.064 1.00 27.40 ? 241 TYR C CE2 1 ATOM 8249 C CZ . TYR C 1 242 ? 8.379 -30.591 -35.697 1.00 26.72 ? 241 TYR C CZ 1 ATOM 8250 O OH . TYR C 1 242 ? 7.394 -30.070 -34.891 1.00 30.29 ? 241 TYR C OH 1 ATOM 8251 N N . THR C 1 243 ? 10.815 -35.391 -36.854 1.00 23.48 ? 242 THR C N 1 ATOM 8252 C CA . THR C 1 243 ? 10.987 -36.344 -35.784 1.00 24.04 ? 242 THR C CA 1 ATOM 8253 C C . THR C 1 243 ? 10.909 -37.773 -36.286 1.00 24.40 ? 242 THR C C 1 ATOM 8254 O O . THR C 1 243 ? 11.680 -38.613 -35.876 1.00 24.67 ? 242 THR C O 1 ATOM 8255 C CB . THR C 1 243 ? 9.905 -36.103 -34.702 1.00 24.29 ? 242 THR C CB 1 ATOM 8256 O OG1 . THR C 1 243 ? 10.162 -34.866 -34.027 1.00 25.16 ? 242 THR C OG1 1 ATOM 8257 C CG2 . THR C 1 243 ? 9.882 -37.201 -33.662 1.00 25.48 ? 242 THR C CG2 1 ATOM 8258 N N A TRP C 1 244 ? 9.956 -38.039 -37.168 0.50 22.41 ? 243 TRP C N 1 ATOM 8259 N N B TRP C 1 244 ? 9.952 -38.061 -37.165 0.50 23.90 ? 243 TRP C N 1 ATOM 8260 C CA A TRP C 1 244 ? 9.656 -39.377 -37.597 0.50 21.29 ? 243 TRP C CA 1 ATOM 8261 C CA B TRP C 1 244 ? 9.749 -39.432 -37.622 0.50 23.65 ? 243 TRP C CA 1 ATOM 8262 C C A TRP C 1 244 ? 10.070 -39.602 -39.052 0.50 22.11 ? 243 TRP C C 1 ATOM 8263 C C B TRP C 1 244 ? 10.102 -39.607 -39.063 0.50 23.44 ? 243 TRP C C 1 ATOM 8264 O O A TRP C 1 244 ? 10.010 -38.674 -39.859 0.50 21.51 ? 243 TRP C O 1 ATOM 8265 O O B TRP C 1 244 ? 10.004 -38.685 -39.866 0.50 22.64 ? 243 TRP C O 1 ATOM 8266 C CB A TRP C 1 244 ? 8.136 -39.565 -37.477 0.50 19.81 ? 243 TRP C CB 1 ATOM 8267 C CB B TRP C 1 244 ? 8.305 -39.897 -37.448 0.50 23.94 ? 243 TRP C CB 1 ATOM 8268 C CG A TRP C 1 244 ? 7.514 -39.306 -36.054 0.50 17.77 ? 243 TRP C CG 1 ATOM 8269 C CG B TRP C 1 244 ? 8.076 -40.568 -36.169 0.50 23.78 ? 243 TRP C CG 1 ATOM 8270 C CD1 A TRP C 1 244 ? 7.118 -38.092 -35.524 0.50 16.97 ? 243 TRP C CD1 1 ATOM 8271 C CD1 B TRP C 1 244 ? 8.447 -41.834 -35.797 0.50 23.75 ? 243 TRP C CD1 1 ATOM 8272 C CD2 A TRP C 1 244 ? 7.200 -40.287 -35.061 0.50 17.23 ? 243 TRP C CD2 1 ATOM 8273 C CD2 B TRP C 1 244 ? 7.392 -40.008 -35.083 0.50 22.60 ? 243 TRP C CD2 1 ATOM 8274 N NE1 A TRP C 1 244 ? 6.587 -38.265 -34.254 0.50 16.28 ? 243 TRP C NE1 1 ATOM 8275 N NE1 B TRP C 1 244 ? 8.021 -42.087 -34.511 0.50 23.26 ? 243 TRP C NE1 1 ATOM 8276 C CE2 A TRP C 1 244 ? 6.619 -39.603 -33.951 0.50 16.72 ? 243 TRP C CE2 1 ATOM 8277 C CE2 B TRP C 1 244 ? 7.373 -40.968 -34.051 0.50 23.11 ? 243 TRP C CE2 1 ATOM 8278 C CE3 A TRP C 1 244 ? 7.342 -41.682 -34.998 0.50 17.62 ? 243 TRP C CE3 1 ATOM 8279 C CE3 B TRP C 1 244 ? 6.792 -38.769 -34.869 0.50 22.71 ? 243 TRP C CE3 1 ATOM 8280 C CZ2 A TRP C 1 244 ? 6.199 -40.267 -32.807 0.50 16.57 ? 243 TRP C CZ2 1 ATOM 8281 C CZ2 B TRP C 1 244 ? 6.765 -40.720 -32.836 0.50 22.72 ? 243 TRP C CZ2 1 ATOM 8282 C CZ3 A TRP C 1 244 ? 6.938 -42.339 -33.845 0.50 17.52 ? 243 TRP C CZ3 1 ATOM 8283 C CZ3 B TRP C 1 244 ? 6.201 -38.535 -33.683 0.50 21.55 ? 243 TRP C CZ3 1 ATOM 8284 C CH2 A TRP C 1 244 ? 6.366 -41.631 -32.766 0.50 17.22 ? 243 TRP C CH2 1 ATOM 8285 C CH2 B TRP C 1 244 ? 6.182 -39.498 -32.678 0.50 21.86 ? 243 TRP C CH2 1 ATOM 8286 N N . SER C 1 245 ? 10.470 -40.834 -39.380 1.00 23.36 ? 244 SER C N 1 ATOM 8287 C CA . SER C 1 245 ? 10.753 -41.223 -40.732 1.00 24.53 ? 244 SER C CA 1 ATOM 8288 C C . SER C 1 245 ? 9.482 -41.122 -41.592 1.00 25.62 ? 244 SER C C 1 ATOM 8289 O O . SER C 1 245 ? 8.407 -41.546 -41.166 1.00 21.94 ? 244 SER C O 1 ATOM 8290 C CB . SER C 1 245 ? 11.219 -42.663 -40.765 1.00 26.14 ? 244 SER C CB 1 ATOM 8291 O OG . SER C 1 245 ? 11.297 -43.086 -42.103 1.00 26.89 ? 244 SER C OG 1 ATOM 8292 N N . PRO C 1 246 ? 9.603 -40.547 -42.798 1.00 28.97 ? 245 PRO C N 1 ATOM 8293 C CA . PRO C 1 246 ? 8.416 -40.467 -43.657 1.00 29.82 ? 245 PRO C CA 1 ATOM 8294 C C . PRO C 1 246 ? 7.895 -41.846 -44.088 1.00 29.90 ? 245 PRO C C 1 ATOM 8295 O O . PRO C 1 246 ? 6.770 -41.919 -44.568 1.00 31.42 ? 245 PRO C O 1 ATOM 8296 C CB . PRO C 1 246 ? 8.913 -39.656 -44.871 1.00 32.27 ? 245 PRO C CB 1 ATOM 8297 C CG . PRO C 1 246 ? 10.009 -38.793 -44.293 1.00 33.80 ? 245 PRO C CG 1 ATOM 8298 C CD . PRO C 1 246 ? 10.716 -39.742 -43.345 1.00 32.00 ? 245 PRO C CD 1 ATOM 8299 N N . GLU C 1 247 ? 8.688 -42.900 -43.915 1.00 28.62 ? 246 GLU C N 1 ATOM 8300 C CA . GLU C 1 247 ? 8.278 -44.255 -44.229 1.00 31.53 ? 246 GLU C CA 1 ATOM 8301 C C . GLU C 1 247 ? 7.712 -45.067 -43.028 1.00 28.03 ? 246 GLU C C 1 ATOM 8302 O O . GLU C 1 247 ? 7.268 -46.186 -43.213 1.00 25.33 ? 246 GLU C O 1 ATOM 8303 C CB . GLU C 1 247 ? 9.438 -45.048 -44.853 1.00 36.43 ? 246 GLU C CB 1 ATOM 8304 C CG . GLU C 1 247 ? 10.070 -44.458 -46.135 1.00 43.50 ? 246 GLU C CG 1 ATOM 8305 C CD . GLU C 1 247 ? 9.064 -43.760 -47.020 1.00 49.10 ? 246 GLU C CD 1 ATOM 8306 O OE1 . GLU C 1 247 ? 8.117 -44.423 -47.526 1.00 55.74 ? 246 GLU C OE1 1 ATOM 8307 O OE2 . GLU C 1 247 ? 9.238 -42.530 -47.198 1.00 57.11 ? 246 GLU C OE2 1 ATOM 8308 N N . LYS C 1 248 ? 7.718 -44.515 -41.821 1.00 25.61 ? 247 LYS C N 1 ATOM 8309 C CA . LYS C 1 248 ? 7.121 -45.225 -40.692 1.00 24.15 ? 247 LYS C CA 1 ATOM 8310 C C . LYS C 1 248 ? 5.606 -45.340 -40.875 1.00 22.05 ? 247 LYS C C 1 ATOM 8311 O O . LYS C 1 248 ? 4.924 -44.336 -41.100 1.00 21.17 ? 247 LYS C O 1 ATOM 8312 C CB . LYS C 1 248 ? 7.408 -44.520 -39.361 1.00 25.41 ? 247 LYS C CB 1 ATOM 8313 C CG . LYS C 1 248 ? 6.655 -45.240 -38.248 1.00 26.40 ? 247 LYS C CG 1 ATOM 8314 C CD . LYS C 1 248 ? 7.070 -44.901 -36.854 1.00 29.46 ? 247 LYS C CD 1 ATOM 8315 C CE . LYS C 1 248 ? 6.187 -45.645 -35.858 1.00 30.71 ? 247 LYS C CE 1 ATOM 8316 N NZ . LYS C 1 248 ? 6.489 -47.097 -35.857 1.00 32.45 ? 247 LYS C NZ 1 ATOM 8317 N N . VAL C 1 249 ? 5.085 -46.546 -40.742 1.00 21.04 ? 248 VAL C N 1 ATOM 8318 C CA . VAL C 1 249 ? 3.632 -46.789 -40.839 1.00 20.94 ? 248 VAL C CA 1 ATOM 8319 C C . VAL C 1 249 ? 3.018 -46.604 -39.474 1.00 20.07 ? 248 VAL C C 1 ATOM 8320 O O . VAL C 1 249 ? 3.411 -47.292 -38.533 1.00 20.56 ? 248 VAL C O 1 ATOM 8321 C CB . VAL C 1 249 ? 3.334 -48.197 -41.371 1.00 21.86 ? 248 VAL C CB 1 ATOM 8322 C CG1 . VAL C 1 249 ? 1.840 -48.454 -41.388 1.00 22.52 ? 248 VAL C CG1 1 ATOM 8323 C CG2 . VAL C 1 249 ? 3.918 -48.352 -42.761 1.00 22.98 ? 248 VAL C CG2 1 ATOM 8324 N N . PHE C 1 250 ? 2.119 -45.616 -39.347 1.00 18.64 ? 249 PHE C N 1 ATOM 8325 C CA . PHE C 1 250 ? 1.428 -45.348 -38.081 1.00 18.01 ? 249 PHE C CA 1 ATOM 8326 C C . PHE C 1 250 ? 0.121 -46.101 -37.970 1.00 18.14 ? 249 PHE C C 1 ATOM 8327 O O . PHE C 1 250 ? -0.297 -46.483 -36.870 1.00 17.59 ? 249 PHE C O 1 ATOM 8328 C CB . PHE C 1 250 ? 1.121 -43.869 -37.947 1.00 17.72 ? 249 PHE C CB 1 ATOM 8329 C CG . PHE C 1 250 ? 2.332 -43.049 -37.655 1.00 17.95 ? 249 PHE C CG 1 ATOM 8330 C CD1 . PHE C 1 250 ? 2.912 -43.096 -36.392 1.00 18.00 ? 249 PHE C CD1 1 ATOM 8331 C CD2 . PHE C 1 250 ? 2.903 -42.256 -38.633 1.00 18.47 ? 249 PHE C CD2 1 ATOM 8332 C CE1 . PHE C 1 250 ? 4.049 -42.354 -36.114 1.00 17.88 ? 249 PHE C CE1 1 ATOM 8333 C CE2 . PHE C 1 250 ? 4.045 -41.521 -38.365 1.00 18.00 ? 249 PHE C CE2 1 ATOM 8334 C CZ . PHE C 1 250 ? 4.610 -41.574 -37.100 1.00 17.58 ? 249 PHE C CZ 1 ATOM 8335 N N . VAL C 1 251 ? -0.527 -46.312 -39.109 1.00 17.55 ? 250 VAL C N 1 ATOM 8336 C CA . VAL C 1 251 ? -1.800 -47.021 -39.168 1.00 17.51 ? 250 VAL C CA 1 ATOM 8337 C C . VAL C 1 251 ? -1.731 -48.034 -40.301 1.00 18.16 ? 250 VAL C C 1 ATOM 8338 O O . VAL C 1 251 ? -1.494 -47.704 -41.464 1.00 18.86 ? 250 VAL C O 1 ATOM 8339 C CB . VAL C 1 251 ? -2.980 -46.066 -39.400 1.00 17.16 ? 250 VAL C CB 1 ATOM 8340 C CG1 . VAL C 1 251 ? -4.283 -46.820 -39.619 1.00 17.43 ? 250 VAL C CG1 1 ATOM 8341 C CG2 . VAL C 1 251 ? -3.135 -45.116 -38.218 1.00 17.93 ? 250 VAL C CG2 1 ATOM 8342 N N . GLN C 1 252 ? -1.968 -49.287 -39.962 1.00 19.29 ? 251 GLN C N 1 ATOM 8343 C CA . GLN C 1 252 ? -2.068 -50.356 -40.949 1.00 20.40 ? 251 GLN C CA 1 ATOM 8344 C C . GLN C 1 252 ? -3.470 -50.969 -40.904 1.00 21.22 ? 251 GLN C C 1 ATOM 8345 O O . GLN C 1 252 ? -4.064 -51.134 -39.836 1.00 20.57 ? 251 GLN C O 1 ATOM 8346 C CB . GLN C 1 252 ? -0.948 -51.370 -40.751 1.00 22.67 ? 251 GLN C CB 1 ATOM 8347 C CG . GLN C 1 252 ? -0.997 -52.579 -41.668 1.00 25.51 ? 251 GLN C CG 1 ATOM 8348 C CD . GLN C 1 252 ? 0.253 -53.447 -41.557 1.00 28.29 ? 251 GLN C CD 1 ATOM 8349 O OE1 . GLN C 1 252 ? 0.980 -53.586 -42.513 1.00 33.30 ? 251 GLN C OE1 1 ATOM 8350 N NE2 . GLN C 1 252 ? 0.521 -53.982 -40.402 1.00 29.23 ? 251 GLN C NE2 1 ATOM 8351 N N . THR C 1 253 ? -4.011 -51.254 -42.091 1.00 22.04 ? 252 THR C N 1 ATOM 8352 C CA . THR C 1 253 ? -5.298 -51.934 -42.226 1.00 23.59 ? 252 THR C CA 1 ATOM 8353 C C . THR C 1 253 ? -5.075 -53.076 -43.228 1.00 25.22 ? 252 THR C C 1 ATOM 8354 O O . THR C 1 253 ? -4.009 -53.158 -43.818 1.00 24.55 ? 252 THR C O 1 ATOM 8355 C CB . THR C 1 253 ? -6.407 -50.982 -42.729 1.00 24.40 ? 252 THR C CB 1 ATOM 8356 O OG1 . THR C 1 253 ? -6.351 -50.905 -44.154 1.00 25.48 ? 252 THR C OG1 1 ATOM 8357 C CG2 . THR C 1 253 ? -6.260 -49.562 -42.158 1.00 23.72 ? 252 THR C CG2 1 ATOM 8358 N N . PRO C 1 254 ? -6.080 -53.934 -43.446 1.00 27.22 ? 253 PRO C N 1 ATOM 8359 C CA . PRO C 1 254 ? -5.900 -55.005 -44.427 1.00 30.47 ? 253 PRO C CA 1 ATOM 8360 C C . PRO C 1 254 ? -5.667 -54.526 -45.862 1.00 32.27 ? 253 PRO C C 1 ATOM 8361 O O . PRO C 1 254 ? -5.072 -55.268 -46.653 1.00 34.22 ? 253 PRO C O 1 ATOM 8362 C CB . PRO C 1 254 ? -7.215 -55.805 -44.334 1.00 30.75 ? 253 PRO C CB 1 ATOM 8363 C CG . PRO C 1 254 ? -7.821 -55.418 -43.017 1.00 30.42 ? 253 PRO C CG 1 ATOM 8364 C CD . PRO C 1 254 ? -7.418 -53.978 -42.833 1.00 28.67 ? 253 PRO C CD 1 ATOM 8365 N N . THR C 1 255 ? -6.096 -53.309 -46.193 1.00 31.90 ? 254 THR C N 1 ATOM 8366 C CA . THR C 1 255 ? -6.028 -52.823 -47.570 1.00 33.32 ? 254 THR C CA 1 ATOM 8367 C C . THR C 1 255 ? -5.194 -51.583 -47.801 1.00 31.64 ? 254 THR C C 1 ATOM 8368 O O . THR C 1 255 ? -5.005 -51.209 -48.954 1.00 31.76 ? 254 THR C O 1 ATOM 8369 C CB . THR C 1 255 ? -7.430 -52.499 -48.098 1.00 36.28 ? 254 THR C CB 1 ATOM 8370 O OG1 . THR C 1 255 ? -8.070 -51.580 -47.202 1.00 37.12 ? 254 THR C OG1 1 ATOM 8371 C CG2 . THR C 1 255 ? -8.264 -53.785 -48.208 1.00 38.91 ? 254 THR C CG2 1 ATOM 8372 N N . ILE C 1 256 ? -4.677 -50.948 -46.748 1.00 27.32 ? 255 ILE C N 1 ATOM 8373 C CA . ILE C 1 256 ? -3.937 -49.731 -46.918 1.00 26.04 ? 255 ILE C CA 1 ATOM 8374 C C . ILE C 1 256 ? -3.082 -49.411 -45.692 1.00 25.54 ? 255 ILE C C 1 ATOM 8375 O O . ILE C 1 256 ? -3.455 -49.750 -44.558 1.00 25.82 ? 255 ILE C O 1 ATOM 8376 C CB . ILE C 1 256 ? -4.932 -48.586 -47.266 1.00 27.26 ? 255 ILE C CB 1 ATOM 8377 C CG1 . ILE C 1 256 ? -4.209 -47.345 -47.717 1.00 28.22 ? 255 ILE C CG1 1 ATOM 8378 C CG2 . ILE C 1 256 ? -5.851 -48.265 -46.088 1.00 28.52 ? 255 ILE C CG2 1 ATOM 8379 C CD1 . ILE C 1 256 ? -5.160 -46.299 -48.268 1.00 28.42 ? 255 ILE C CD1 1 ATOM 8380 N N A ASN C 1 257 ? -1.942 -48.775 -45.933 0.50 24.58 ? 256 ASN C N 1 ATOM 8381 N N B ASN C 1 257 ? -1.925 -48.791 -45.939 0.50 24.61 ? 256 ASN C N 1 ATOM 8382 C CA A ASN C 1 257 ? -1.060 -48.292 -44.893 0.50 24.05 ? 256 ASN C CA 1 ATOM 8383 C CA B ASN C 1 257 ? -1.032 -48.293 -44.902 0.50 24.07 ? 256 ASN C CA 1 ATOM 8384 C C A ASN C 1 257 ? -1.078 -46.777 -44.889 0.50 23.09 ? 256 ASN C C 1 ATOM 8385 C C B ASN C 1 257 ? -1.092 -46.768 -44.889 0.50 23.07 ? 256 ASN C C 1 ATOM 8386 O O A ASN C 1 257 ? -1.300 -46.184 -45.943 0.50 24.15 ? 256 ASN C O 1 ATOM 8387 O O B ASN C 1 257 ? -1.297 -46.153 -45.945 0.50 23.98 ? 256 ASN C O 1 ATOM 8388 C CB A ASN C 1 257 ? 0.336 -48.781 -45.198 0.50 24.77 ? 256 ASN C CB 1 ATOM 8389 C CB B ASN C 1 257 ? 0.420 -48.622 -45.228 0.50 24.89 ? 256 ASN C CB 1 ATOM 8390 C CG A ASN C 1 257 ? 0.450 -50.286 -45.034 0.50 26.02 ? 256 ASN C CG 1 ATOM 8391 C CG B ASN C 1 257 ? 0.822 -50.030 -44.903 0.50 26.43 ? 256 ASN C CG 1 ATOM 8392 O OD1 A ASN C 1 257 ? 0.036 -50.813 -44.015 0.50 26.78 ? 256 ASN C OD1 1 ATOM 8393 O OD1 B ASN C 1 257 ? 0.088 -50.792 -44.276 0.50 26.71 ? 256 ASN C OD1 1 ATOM 8394 N ND2 A ASN C 1 257 ? 0.989 -50.977 -46.039 0.50 27.58 ? 256 ASN C ND2 1 ATOM 8395 N ND2 B ASN C 1 257 ? 2.037 -50.376 -45.340 0.50 27.55 ? 256 ASN C ND2 1 ATOM 8396 N N . TYR C 1 258 ? -0.877 -46.161 -43.728 1.00 20.37 ? 257 TYR C N 1 ATOM 8397 C CA . TYR C 1 258 ? -0.743 -44.710 -43.638 1.00 18.85 ? 257 TYR C CA 1 ATOM 8398 C C . TYR C 1 258 ? 0.526 -44.329 -42.889 1.00 18.39 ? 257 TYR C C 1 ATOM 8399 O O . TYR C 1 258 ? 0.706 -44.691 -41.708 1.00 18.03 ? 257 TYR C O 1 ATOM 8400 C CB . TYR C 1 258 ? -1.930 -44.054 -42.958 1.00 18.17 ? 257 TYR C CB 1 ATOM 8401 C CG . TYR C 1 258 ? -3.283 -44.375 -43.562 1.00 17.51 ? 257 TYR C CG 1 ATOM 8402 C CD1 . TYR C 1 258 ? -3.793 -43.652 -44.639 1.00 17.81 ? 257 TYR C CD1 1 ATOM 8403 C CD2 . TYR C 1 258 ? -4.069 -45.367 -43.033 1.00 18.39 ? 257 TYR C CD2 1 ATOM 8404 C CE1 . TYR C 1 258 ? -5.034 -43.940 -45.183 1.00 17.58 ? 257 TYR C CE1 1 ATOM 8405 C CE2 . TYR C 1 258 ? -5.311 -45.665 -43.577 1.00 18.41 ? 257 TYR C CE2 1 ATOM 8406 C CZ . TYR C 1 258 ? -5.786 -44.948 -44.644 1.00 18.00 ? 257 TYR C CZ 1 ATOM 8407 O OH . TYR C 1 258 ? -7.030 -45.289 -45.156 1.00 18.80 ? 257 TYR C OH 1 ATOM 8408 N N . THR C 1 259 ? 1.388 -43.603 -43.610 1.00 17.64 ? 258 THR C N 1 ATOM 8409 C CA . THR C 1 259 ? 2.561 -42.929 -43.073 1.00 16.79 ? 258 THR C CA 1 ATOM 8410 C C . THR C 1 259 ? 2.258 -41.432 -42.958 1.00 16.65 ? 258 THR C C 1 ATOM 8411 O O . THR C 1 259 ? 1.172 -40.963 -43.330 1.00 16.48 ? 258 THR C O 1 ATOM 8412 C CB . THR C 1 259 ? 3.778 -43.097 -44.006 1.00 17.47 ? 258 THR C CB 1 ATOM 8413 O OG1 . THR C 1 259 ? 3.602 -42.312 -45.197 1.00 17.62 ? 258 THR C OG1 1 ATOM 8414 C CG2 . THR C 1 259 ? 3.989 -44.556 -44.417 1.00 18.18 ? 258 THR C CG2 1 ATOM 8415 N N . LEU C 1 260 ? 3.206 -40.650 -42.468 1.00 16.75 ? 259 LEU C N 1 ATOM 8416 C CA . LEU C 1 260 ? 2.995 -39.192 -42.392 1.00 17.03 ? 259 LEU C CA 1 ATOM 8417 C C . LEU C 1 260 ? 2.967 -38.508 -43.754 1.00 17.06 ? 259 LEU C C 1 ATOM 8418 O O . LEU C 1 260 ? 2.656 -37.319 -43.843 1.00 17.68 ? 259 LEU C O 1 ATOM 8419 C CB . LEU C 1 260 ? 4.025 -38.516 -41.477 1.00 18.09 ? 259 LEU C CB 1 ATOM 8420 C CG . LEU C 1 260 ? 5.489 -38.584 -41.888 1.00 19.75 ? 259 LEU C CG 1 ATOM 8421 C CD1 . LEU C 1 260 ? 5.832 -37.507 -42.904 1.00 20.69 ? 259 LEU C CD1 1 ATOM 8422 C CD2 . LEU C 1 260 ? 6.319 -38.393 -40.616 1.00 21.51 ? 259 LEU C CD2 1 ATOM 8423 N N . ARG C 1 261 ? 3.292 -39.249 -44.808 1.00 16.85 ? 260 ARG C N 1 ATOM 8424 C CA . ARG C 1 261 ? 3.126 -38.744 -46.181 1.00 16.64 ? 260 ARG C CA 1 ATOM 8425 C C . ARG C 1 261 ? 1.727 -38.994 -46.728 1.00 16.17 ? 260 ARG C C 1 ATOM 8426 O O . ARG C 1 261 ? 1.445 -38.638 -47.879 1.00 16.76 ? 260 ARG C O 1 ATOM 8427 C CB . ARG C 1 261 ? 4.181 -39.338 -47.097 1.00 17.53 ? 260 ARG C CB 1 ATOM 8428 C CG . ARG C 1 261 ? 5.621 -38.974 -46.702 1.00 18.68 ? 260 ARG C CG 1 ATOM 8429 C CD . ARG C 1 261 ? 6.573 -39.089 -47.904 1.00 19.72 ? 260 ARG C CD 1 ATOM 8430 N NE . ARG C 1 261 ? 6.680 -40.459 -48.441 1.00 19.81 ? 260 ARG C NE 1 ATOM 8431 C CZ . ARG C 1 261 ? 7.299 -40.823 -49.554 1.00 20.55 ? 260 ARG C CZ 1 ATOM 8432 N NH1 . ARG C 1 261 ? 7.833 -39.922 -50.359 1.00 21.24 ? 260 ARG C NH1 1 ATOM 8433 N NH2 . ARG C 1 261 ? 7.370 -42.110 -49.882 1.00 21.62 ? 260 ARG C NH2 1 ATOM 8434 N N . ASP C 1 262 ? 0.859 -39.574 -45.922 1.00 15.48 ? 261 ASP C N 1 ATOM 8435 C CA . ASP C 1 262 ? -0.448 -40.027 -46.375 1.00 16.03 ? 261 ASP C CA 1 ATOM 8436 C C . ASP C 1 262 ? -1.613 -39.395 -45.636 1.00 16.27 ? 261 ASP C C 1 ATOM 8437 O O . ASP C 1 262 ? -2.741 -39.955 -45.630 1.00 15.65 ? 261 ASP C O 1 ATOM 8438 C CB . ASP C 1 262 ? -0.547 -41.546 -46.223 1.00 16.53 ? 261 ASP C CB 1 ATOM 8439 C CG . ASP C 1 262 ? 0.496 -42.293 -47.020 1.00 17.53 ? 261 ASP C CG 1 ATOM 8440 O OD1 . ASP C 1 262 ? 0.677 -42.014 -48.223 1.00 17.78 ? 261 ASP C OD1 1 ATOM 8441 O OD2 . ASP C 1 262 ? 1.138 -43.204 -46.439 1.00 18.99 ? 261 ASP C OD2 1 ATOM 8442 N N . TYR C 1 263 ? -1.396 -38.221 -45.026 1.00 16.05 ? 262 TYR C N 1 ATOM 8443 C CA . TYR C 1 263 ? -2.472 -37.607 -44.251 1.00 16.09 ? 262 TYR C CA 1 ATOM 8444 C C . TYR C 1 263 ? -3.689 -37.222 -45.072 1.00 16.37 ? 262 TYR C C 1 ATOM 8445 O O . TYR C 1 263 ? -4.823 -37.320 -44.576 1.00 15.87 ? 262 TYR C O 1 ATOM 8446 C CB . TYR C 1 263 ? -1.982 -36.397 -43.434 1.00 16.15 ? 262 TYR C CB 1 ATOM 8447 C CG . TYR C 1 263 ? -1.016 -36.736 -42.307 1.00 16.25 ? 262 TYR C CG 1 ATOM 8448 C CD1 . TYR C 1 263 ? -1.107 -37.932 -41.591 1.00 17.57 ? 262 TYR C CD1 1 ATOM 8449 C CD2 . TYR C 1 263 ? -0.024 -35.836 -41.931 1.00 17.55 ? 262 TYR C CD2 1 ATOM 8450 C CE1 . TYR C 1 263 ? -0.245 -38.213 -40.547 1.00 17.67 ? 262 TYR C CE1 1 ATOM 8451 C CE2 . TYR C 1 263 ? 0.863 -36.123 -40.905 1.00 16.59 ? 262 TYR C CE2 1 ATOM 8452 C CZ . TYR C 1 263 ? 0.732 -37.297 -40.207 1.00 17.42 ? 262 TYR C CZ 1 ATOM 8453 O OH . TYR C 1 263 ? 1.605 -37.601 -39.182 1.00 16.70 ? 262 TYR C OH 1 ATOM 8454 N N . ARG C 1 264 ? -3.504 -36.774 -46.307 1.00 16.60 ? 263 ARG C N 1 ATOM 8455 C CA . ARG C 1 264 ? -4.683 -36.398 -47.113 1.00 18.09 ? 263 ARG C CA 1 ATOM 8456 C C . ARG C 1 264 ? -5.616 -37.608 -47.316 1.00 17.64 ? 263 ARG C C 1 ATOM 8457 O O . ARG C 1 264 ? -6.829 -37.498 -47.103 1.00 17.14 ? 263 ARG C O 1 ATOM 8458 C CB . ARG C 1 264 ? -4.269 -35.756 -48.445 1.00 19.29 ? 263 ARG C CB 1 ATOM 8459 C CG . ARG C 1 264 ? -5.415 -35.056 -49.154 1.00 21.43 ? 263 ARG C CG 1 ATOM 8460 C CD . ARG C 1 264 ? -4.935 -34.459 -50.462 1.00 23.18 ? 263 ARG C CD 1 ATOM 8461 N NE . ARG C 1 264 ? -5.883 -33.511 -51.027 1.00 25.22 ? 263 ARG C NE 1 ATOM 8462 C CZ . ARG C 1 264 ? -6.902 -33.804 -51.836 1.00 28.36 ? 263 ARG C CZ 1 ATOM 8463 N NH1 . ARG C 1 264 ? -7.180 -35.063 -52.172 1.00 27.96 ? 263 ARG C NH1 1 ATOM 8464 N NH2 . ARG C 1 264 ? -7.676 -32.815 -52.312 1.00 29.41 ? 263 ARG C NH2 1 ATOM 8465 N N . LYS C 1 265 ? -5.043 -38.761 -47.668 1.00 17.52 ? 264 LYS C N 1 ATOM 8466 C CA . LYS C 1 265 ? -5.797 -40.026 -47.815 1.00 18.92 ? 264 LYS C CA 1 ATOM 8467 C C . LYS C 1 265 ? -6.432 -40.467 -46.520 1.00 18.08 ? 264 LYS C C 1 ATOM 8468 O O . LYS C 1 265 ? -7.560 -40.953 -46.514 1.00 18.65 ? 264 LYS C O 1 ATOM 8469 C CB . LYS C 1 265 ? -4.862 -41.221 -48.203 1.00 20.12 ? 264 LYS C CB 1 ATOM 8470 C CG . LYS C 1 265 ? -4.152 -41.096 -49.490 1.00 21.96 ? 264 LYS C CG 1 ATOM 8471 C CD . LYS C 1 265 ? -3.640 -42.436 -49.990 1.00 21.42 ? 264 LYS C CD 1 ATOM 8472 C CE . LYS C 1 265 ? -2.562 -43.064 -49.155 1.00 21.05 ? 264 LYS C CE 1 ATOM 8473 N NZ . LYS C 1 265 ? -1.915 -44.114 -49.979 1.00 19.95 ? 264 LYS C NZ 1 ATOM 8474 N N . PHE C 1 266 ? -5.665 -40.378 -45.440 1.00 17.31 ? 265 PHE C N 1 ATOM 8475 C CA . PHE C 1 266 ? -6.141 -40.722 -44.087 1.00 17.29 ? 265 PHE C CA 1 ATOM 8476 C C . PHE C 1 266 ? -7.402 -39.932 -43.733 1.00 16.68 ? 265 PHE C C 1 ATOM 8477 O O . PHE C 1 266 ? -8.431 -40.499 -43.366 1.00 16.99 ? 265 PHE C O 1 ATOM 8478 C CB . PHE C 1 266 ? -5.035 -40.446 -43.072 1.00 17.09 ? 265 PHE C CB 1 ATOM 8479 C CG . PHE C 1 266 ? -5.437 -40.688 -41.650 1.00 17.45 ? 265 PHE C CG 1 ATOM 8480 C CD1 . PHE C 1 266 ? -5.527 -41.974 -41.161 1.00 17.98 ? 265 PHE C CD1 1 ATOM 8481 C CD2 . PHE C 1 266 ? -5.736 -39.628 -40.822 1.00 17.78 ? 265 PHE C CD2 1 ATOM 8482 C CE1 . PHE C 1 266 ? -5.925 -42.201 -39.840 1.00 18.48 ? 265 PHE C CE1 1 ATOM 8483 C CE2 . PHE C 1 266 ? -6.152 -39.845 -39.518 1.00 18.76 ? 265 PHE C CE2 1 ATOM 8484 C CZ . PHE C 1 266 ? -6.228 -41.137 -39.021 1.00 18.31 ? 265 PHE C CZ 1 ATOM 8485 N N . PHE C 1 267 ? -7.355 -38.629 -43.942 1.00 16.58 ? 266 PHE C N 1 ATOM 8486 C CA . PHE C 1 267 ? -8.533 -37.799 -43.645 1.00 17.16 ? 266 PHE C CA 1 ATOM 8487 C C . PHE C 1 267 ? -9.732 -38.115 -44.541 1.00 18.15 ? 266 PHE C C 1 ATOM 8488 O O . PHE C 1 267 ? -10.891 -38.121 -44.088 1.00 18.98 ? 266 PHE C O 1 ATOM 8489 C CB . PHE C 1 267 ? -8.161 -36.324 -43.675 1.00 16.90 ? 266 PHE C CB 1 ATOM 8490 C CG . PHE C 1 267 ? -7.451 -35.865 -42.425 1.00 17.24 ? 266 PHE C CG 1 ATOM 8491 C CD1 . PHE C 1 267 ? -8.108 -35.887 -41.202 1.00 16.95 ? 266 PHE C CD1 1 ATOM 8492 C CD2 . PHE C 1 267 ? -6.123 -35.423 -42.470 1.00 16.65 ? 266 PHE C CD2 1 ATOM 8493 C CE1 . PHE C 1 267 ? -7.479 -35.461 -40.055 1.00 16.72 ? 266 PHE C CE1 1 ATOM 8494 C CE2 . PHE C 1 267 ? -5.488 -34.984 -41.324 1.00 17.13 ? 266 PHE C CE2 1 ATOM 8495 C CZ . PHE C 1 267 ? -6.162 -34.985 -40.113 1.00 16.71 ? 266 PHE C CZ 1 ATOM 8496 N N . GLN C 1 268 ? -9.481 -38.384 -45.815 1.00 18.48 ? 267 GLN C N 1 ATOM 8497 C CA . GLN C 1 268 ? -10.552 -38.839 -46.695 1.00 20.19 ? 267 GLN C CA 1 ATOM 8498 C C . GLN C 1 268 ? -11.151 -40.135 -46.181 1.00 20.16 ? 267 GLN C C 1 ATOM 8499 O O . GLN C 1 268 ? -12.373 -40.286 -46.172 1.00 20.22 ? 267 GLN C O 1 ATOM 8500 C CB . GLN C 1 268 ? -10.053 -39.047 -48.129 1.00 21.09 ? 267 GLN C CB 1 ATOM 8501 C CG . GLN C 1 268 ? -9.651 -37.767 -48.835 1.00 23.34 ? 267 GLN C CG 1 ATOM 8502 C CD . GLN C 1 268 ? -9.089 -38.030 -50.231 1.00 25.33 ? 267 GLN C CD 1 ATOM 8503 O OE1 . GLN C 1 268 ? -8.223 -38.896 -50.433 1.00 27.52 ? 267 GLN C OE1 1 ATOM 8504 N NE2 . GLN C 1 268 ? -9.590 -37.297 -51.205 1.00 28.21 ? 267 GLN C NE2 1 ATOM 8505 N N . ASP C 1 269 ? -10.296 -41.078 -45.804 1.00 19.31 ? 268 ASP C N 1 ATOM 8506 C CA . ASP C 1 269 ? -10.741 -42.423 -45.526 1.00 19.97 ? 268 ASP C CA 1 ATOM 8507 C C . ASP C 1 269 ? -11.439 -42.569 -44.175 1.00 21.19 ? 268 ASP C C 1 ATOM 8508 O O . ASP C 1 269 ? -12.213 -43.503 -43.992 1.00 21.90 ? 268 ASP C O 1 ATOM 8509 C CB . ASP C 1 269 ? -9.574 -43.407 -45.621 1.00 20.22 ? 268 ASP C CB 1 ATOM 8510 C CG . ASP C 1 269 ? -9.075 -43.590 -47.058 1.00 19.85 ? 268 ASP C CG 1 ATOM 8511 O OD1 . ASP C 1 269 ? -9.763 -43.090 -47.982 1.00 19.54 ? 268 ASP C OD1 1 ATOM 8512 O OD2 . ASP C 1 269 ? -7.976 -44.189 -47.254 1.00 19.92 ? 268 ASP C OD2 1 ATOM 8513 N N . ILE C 1 270 ? -11.163 -41.660 -43.246 1.00 20.91 ? 269 ILE C N 1 ATOM 8514 C CA . ILE C 1 270 ? -11.895 -41.650 -41.997 1.00 21.68 ? 269 ILE C CA 1 ATOM 8515 C C . ILE C 1 270 ? -13.176 -40.823 -42.068 1.00 23.12 ? 269 ILE C C 1 ATOM 8516 O O . ILE C 1 270 ? -13.945 -40.819 -41.136 1.00 25.24 ? 269 ILE C O 1 ATOM 8517 C CB . ILE C 1 270 ? -11.041 -41.205 -40.802 1.00 20.60 ? 269 ILE C CB 1 ATOM 8518 C CG1 . ILE C 1 270 ? -10.712 -39.714 -40.882 1.00 19.69 ? 269 ILE C CG1 1 ATOM 8519 C CG2 . ILE C 1 270 ? -9.802 -42.096 -40.685 1.00 20.40 ? 269 ILE C CG2 1 ATOM 8520 C CD1 . ILE C 1 270 ? -9.887 -39.237 -39.729 1.00 19.21 ? 269 ILE C CD1 1 ATOM 8521 N N . GLY C 1 271 ? -13.406 -40.147 -43.175 1.00 24.21 ? 270 GLY C N 1 ATOM 8522 C CA . GLY C 1 271 ? -14.601 -39.348 -43.384 1.00 24.87 ? 270 GLY C CA 1 ATOM 8523 C C . GLY C 1 271 ? -14.502 -38.004 -42.688 1.00 26.00 ? 270 GLY C C 1 ATOM 8524 O O . GLY C 1 271 ? -15.515 -37.479 -42.238 1.00 26.45 ? 270 GLY C O 1 ATOM 8525 N N . PHE C 1 272 ? -13.301 -37.413 -42.658 1.00 23.97 ? 271 PHE C N 1 ATOM 8526 C CA . PHE C 1 272 ? -13.114 -36.112 -42.050 1.00 23.74 ? 271 PHE C CA 1 ATOM 8527 C C . PHE C 1 272 ? -12.166 -35.233 -42.868 1.00 23.77 ? 271 PHE C C 1 ATOM 8528 O O . PHE C 1 272 ? -11.037 -34.932 -42.463 1.00 21.09 ? 271 PHE C O 1 ATOM 8529 C CB . PHE C 1 272 ? -12.623 -36.290 -40.611 1.00 23.25 ? 271 PHE C CB 1 ATOM 8530 C CG . PHE C 1 272 ? -12.535 -34.999 -39.858 1.00 23.71 ? 271 PHE C CG 1 ATOM 8531 C CD1 . PHE C 1 272 ? -13.637 -34.160 -39.776 1.00 25.27 ? 271 PHE C CD1 1 ATOM 8532 C CD2 . PHE C 1 272 ? -11.364 -34.640 -39.223 1.00 24.52 ? 271 PHE C CD2 1 ATOM 8533 C CE1 . PHE C 1 272 ? -13.559 -32.959 -39.091 1.00 26.16 ? 271 PHE C CE1 1 ATOM 8534 C CE2 . PHE C 1 272 ? -11.276 -33.432 -38.562 1.00 24.71 ? 271 PHE C CE2 1 ATOM 8535 C CZ . PHE C 1 272 ? -12.363 -32.598 -38.510 1.00 24.36 ? 271 PHE C CZ 1 ATOM 8536 N N . GLU C 1 273 ? -12.656 -34.771 -44.013 1.00 25.49 ? 272 GLU C N 1 ATOM 8537 C CA . GLU C 1 273 ? -11.846 -33.976 -44.937 1.00 26.71 ? 272 GLU C CA 1 ATOM 8538 C C . GLU C 1 273 ? -11.371 -32.649 -44.359 1.00 25.26 ? 272 GLU C C 1 ATOM 8539 O O . GLU C 1 273 ? -10.281 -32.174 -44.709 1.00 23.31 ? 272 GLU C O 1 ATOM 8540 C CB . GLU C 1 273 ? -12.596 -33.794 -46.266 1.00 32.51 ? 272 GLU C CB 1 ATOM 8541 C CG . GLU C 1 273 ? -12.680 -35.139 -46.993 1.00 37.19 ? 272 GLU C CG 1 ATOM 8542 C CD . GLU C 1 273 ? -13.502 -35.142 -48.281 1.00 45.46 ? 272 GLU C CD 1 ATOM 8543 O OE1 . GLU C 1 273 ? -14.097 -34.094 -48.644 1.00 49.16 ? 272 GLU C OE1 1 ATOM 8544 O OE2 . GLU C 1 273 ? -13.546 -36.228 -48.928 1.00 50.20 ? 272 GLU C OE2 1 ATOM 8545 N N . ASP C 1 274 ? -12.160 -32.049 -43.464 1.00 23.03 ? 273 ASP C N 1 ATOM 8546 C CA . ASP C 1 274 ? -11.754 -30.787 -42.825 1.00 23.59 ? 273 ASP C CA 1 ATOM 8547 C C . ASP C 1 274 ? -10.438 -30.928 -42.068 1.00 20.51 ? 273 ASP C C 1 ATOM 8548 O O . ASP C 1 274 ? -9.708 -29.959 -41.913 1.00 20.50 ? 273 ASP C O 1 ATOM 8549 C CB . ASP C 1 274 ? -12.808 -30.306 -41.826 1.00 25.13 ? 273 ASP C CB 1 ATOM 8550 C CG . ASP C 1 274 ? -14.032 -29.669 -42.500 1.00 29.13 ? 273 ASP C CG 1 ATOM 8551 O OD1 . ASP C 1 274 ? -13.987 -29.360 -43.712 1.00 29.71 ? 273 ASP C OD1 1 ATOM 8552 O OD2 . ASP C 1 274 ? -15.022 -29.456 -41.768 1.00 31.53 ? 273 ASP C OD2 1 ATOM 8553 N N . GLY C 1 275 ? -10.163 -32.116 -41.543 1.00 19.28 ? 274 GLY C N 1 ATOM 8554 C CA . GLY C 1 275 ? -8.924 -32.340 -40.815 1.00 19.09 ? 274 GLY C CA 1 ATOM 8555 C C . GLY C 1 275 ? -7.700 -32.076 -41.670 1.00 19.04 ? 274 GLY C C 1 ATOM 8556 O O . GLY C 1 275 ? -6.673 -31.623 -41.167 1.00 19.03 ? 274 GLY C O 1 ATOM 8557 N N . TRP C 1 276 ? -7.782 -32.407 -42.962 1.00 18.66 ? 275 TRP C N 1 ATOM 8558 C CA . TRP C 1 276 ? -6.658 -32.165 -43.870 1.00 18.72 ? 275 TRP C CA 1 ATOM 8559 C C . TRP C 1 276 ? -6.422 -30.676 -44.038 1.00 18.21 ? 275 TRP C C 1 ATOM 8560 O O . TRP C 1 276 ? -5.277 -30.200 -44.044 1.00 17.30 ? 275 TRP C O 1 ATOM 8561 C CB . TRP C 1 276 ? -6.914 -32.831 -45.230 1.00 19.54 ? 275 TRP C CB 1 ATOM 8562 C CG . TRP C 1 276 ? -5.952 -32.396 -46.311 1.00 19.97 ? 275 TRP C CG 1 ATOM 8563 C CD1 . TRP C 1 276 ? -6.256 -31.711 -47.461 1.00 21.63 ? 275 TRP C CD1 1 ATOM 8564 C CD2 . TRP C 1 276 ? -4.552 -32.637 -46.358 1.00 19.65 ? 275 TRP C CD2 1 ATOM 8565 N NE1 . TRP C 1 276 ? -5.131 -31.513 -48.215 1.00 21.63 ? 275 TRP C NE1 1 ATOM 8566 C CE2 . TRP C 1 276 ? -4.065 -32.071 -47.556 1.00 20.47 ? 275 TRP C CE2 1 ATOM 8567 C CE3 . TRP C 1 276 ? -3.660 -33.264 -45.499 1.00 19.40 ? 275 TRP C CE3 1 ATOM 8568 C CZ2 . TRP C 1 276 ? -2.718 -32.121 -47.920 1.00 20.54 ? 275 TRP C CZ2 1 ATOM 8569 C CZ3 . TRP C 1 276 ? -2.310 -33.294 -45.851 1.00 20.22 ? 275 TRP C CZ3 1 ATOM 8570 C CH2 . TRP C 1 276 ? -1.857 -32.745 -47.054 1.00 19.94 ? 275 TRP C CH2 1 ATOM 8571 N N . LEU C 1 277 ? -7.512 -29.939 -44.158 1.00 17.83 ? 276 LEU C N 1 ATOM 8572 C CA . LEU C 1 277 ? -7.422 -28.490 -44.252 1.00 18.94 ? 276 LEU C CA 1 ATOM 8573 C C . LEU C 1 277 ? -6.832 -27.893 -42.962 1.00 18.41 ? 276 LEU C C 1 ATOM 8574 O O . LEU C 1 277 ? -5.954 -27.013 -43.013 1.00 18.77 ? 276 LEU C O 1 ATOM 8575 C CB . LEU C 1 277 ? -8.792 -27.894 -44.564 1.00 19.98 ? 276 LEU C CB 1 ATOM 8576 C CG . LEU C 1 277 ? -9.503 -28.415 -45.821 1.00 21.81 ? 276 LEU C CG 1 ATOM 8577 C CD1 . LEU C 1 277 ? -10.871 -27.762 -45.980 1.00 23.01 ? 276 LEU C CD1 1 ATOM 8578 C CD2 . LEU C 1 277 ? -8.650 -28.165 -47.058 1.00 22.68 ? 276 LEU C CD2 1 ATOM 8579 N N . MET C 1 278 ? -7.241 -28.418 -41.822 1.00 18.22 ? 277 MET C N 1 ATOM 8580 C CA . MET C 1 278 ? -6.644 -28.008 -40.531 1.00 18.19 ? 277 MET C CA 1 ATOM 8581 C C . MET C 1 278 ? -5.147 -28.304 -40.443 1.00 17.40 ? 277 MET C C 1 ATOM 8582 O O . MET C 1 278 ? -4.362 -27.482 -39.952 1.00 16.45 ? 277 MET C O 1 ATOM 8583 C CB . MET C 1 278 ? -7.349 -28.696 -39.369 1.00 19.14 ? 277 MET C CB 1 ATOM 8584 C CG . MET C 1 278 ? -8.801 -28.295 -39.154 1.00 20.50 ? 277 MET C CG 1 ATOM 8585 S SD . MET C 1 278 ? -9.485 -29.397 -37.887 1.00 23.32 ? 277 MET C SD 1 ATOM 8586 C CE . MET C 1 278 ? -11.177 -28.790 -37.833 1.00 25.97 ? 277 MET C CE 1 ATOM 8587 N N . ARG C 1 279 ? -4.754 -29.483 -40.916 1.00 17.04 ? 278 ARG C N 1 ATOM 8588 C CA . ARG C 1 279 ? -3.342 -29.845 -40.945 1.00 17.09 ? 278 ARG C CA 1 ATOM 8589 C C . ARG C 1 279 ? -2.559 -28.910 -41.838 1.00 17.95 ? 278 ARG C C 1 ATOM 8590 O O . ARG C 1 279 ? -1.478 -28.414 -41.446 1.00 17.76 ? 278 ARG C O 1 ATOM 8591 C CB . ARG C 1 279 ? -3.153 -31.318 -41.358 1.00 16.89 ? 278 ARG C CB 1 ATOM 8592 C CG . ARG C 1 279 ? -1.693 -31.771 -41.396 1.00 16.97 ? 278 ARG C CG 1 ATOM 8593 C CD . ARG C 1 279 ? -1.035 -31.681 -40.029 1.00 16.65 ? 278 ARG C CD 1 ATOM 8594 N NE . ARG C 1 279 ? 0.311 -32.252 -40.044 1.00 16.66 ? 278 ARG C NE 1 ATOM 8595 C CZ . ARG C 1 279 ? 1.020 -32.531 -38.954 1.00 16.60 ? 278 ARG C CZ 1 ATOM 8596 N NH1 . ARG C 1 279 ? 0.526 -32.293 -37.743 1.00 16.49 ? 278 ARG C NH1 1 ATOM 8597 N NH2 . ARG C 1 279 ? 2.235 -33.033 -39.077 1.00 17.08 ? 278 ARG C NH2 1 ATOM 8598 N N . GLN C 1 280 ? -3.083 -28.615 -43.022 1.00 19.10 ? 279 GLN C N 1 ATOM 8599 C CA . GLN C 1 280 ? -2.420 -27.640 -43.899 1.00 20.89 ? 279 GLN C CA 1 ATOM 8600 C C . GLN C 1 280 ? -2.298 -26.275 -43.236 1.00 20.27 ? 279 GLN C C 1 ATOM 8601 O O . GLN C 1 280 ? -1.299 -25.608 -43.433 1.00 20.37 ? 279 GLN C O 1 ATOM 8602 C CB . GLN C 1 280 ? -3.161 -27.469 -45.209 1.00 22.90 ? 279 GLN C CB 1 ATOM 8603 C CG . GLN C 1 280 ? -3.090 -28.669 -46.111 1.00 26.31 ? 279 GLN C CG 1 ATOM 8604 C CD . GLN C 1 280 ? -3.762 -28.370 -47.436 1.00 29.42 ? 279 GLN C CD 1 ATOM 8605 O OE1 . GLN C 1 280 ? -4.922 -27.943 -47.479 1.00 33.43 ? 279 GLN C OE1 1 ATOM 8606 N NE2 . GLN C 1 280 ? -3.045 -28.577 -48.515 1.00 32.60 ? 279 GLN C NE2 1 ATOM 8607 N N . ASP C 1 281 ? -3.330 -25.853 -42.502 1.00 19.81 ? 280 ASP C N 1 ATOM 8608 C CA . ASP C 1 281 ? -3.339 -24.532 -41.847 1.00 20.63 ? 280 ASP C CA 1 ATOM 8609 C C . ASP C 1 281 ? -2.242 -24.443 -40.760 1.00 20.63 ? 280 ASP C C 1 ATOM 8610 O O . ASP C 1 281 ? -1.769 -23.356 -40.441 1.00 21.71 ? 280 ASP C O 1 ATOM 8611 C CB . ASP C 1 281 ? -4.663 -24.250 -41.104 1.00 21.88 ? 280 ASP C CB 1 ATOM 8612 C CG . ASP C 1 281 ? -5.886 -24.109 -42.003 1.00 24.07 ? 280 ASP C CG 1 ATOM 8613 O OD1 . ASP C 1 281 ? -5.754 -23.866 -43.233 1.00 23.83 ? 280 ASP C OD1 1 ATOM 8614 O OD2 . ASP C 1 281 ? -7.015 -24.239 -41.416 1.00 25.58 ? 280 ASP C OD2 1 ATOM 8615 N N . THR C 1 282 ? -1.937 -25.566 -40.119 1.00 18.45 ? 281 THR C N 1 ATOM 8616 C CA . THR C 1 282 ? -1.171 -25.555 -38.888 1.00 17.88 ? 281 THR C CA 1 ATOM 8617 C C . THR C 1 282 ? 0.230 -26.177 -38.968 1.00 19.01 ? 281 THR C C 1 ATOM 8618 O O . THR C 1 282 ? 1.055 -25.908 -38.086 1.00 18.86 ? 281 THR C O 1 ATOM 8619 C CB . THR C 1 282 ? -1.957 -26.240 -37.753 1.00 17.00 ? 281 THR C CB 1 ATOM 8620 O OG1 . THR C 1 282 ? -2.208 -27.612 -38.070 1.00 17.28 ? 281 THR C OG1 1 ATOM 8621 C CG2 . THR C 1 282 ? -3.258 -25.520 -37.515 1.00 16.79 ? 281 THR C CG2 1 ATOM 8622 N N . GLU C 1 283 ? 0.495 -26.999 -39.988 1.00 20.09 ? 282 GLU C N 1 ATOM 8623 C CA . GLU C 1 283 ? 1.749 -27.775 -40.046 1.00 21.33 ? 282 GLU C CA 1 ATOM 8624 C C . GLU C 1 283 ? 3.002 -26.906 -40.113 1.00 21.59 ? 282 GLU C C 1 ATOM 8625 O O . GLU C 1 283 ? 4.082 -27.349 -39.730 1.00 20.56 ? 282 GLU C O 1 ATOM 8626 C CB . GLU C 1 283 ? 1.738 -28.773 -41.238 1.00 23.00 ? 282 GLU C CB 1 ATOM 8627 C CG . GLU C 1 283 ? 1.723 -28.106 -42.597 1.00 26.65 ? 282 GLU C CG 1 ATOM 8628 C CD . GLU C 1 283 ? 1.633 -29.081 -43.771 1.00 33.09 ? 282 GLU C CD 1 ATOM 8629 O OE1 . GLU C 1 283 ? 1.623 -30.319 -43.553 1.00 38.43 ? 282 GLU C OE1 1 ATOM 8630 O OE2 . GLU C 1 283 ? 1.582 -28.588 -44.925 1.00 38.15 ? 282 GLU C OE2 1 ATOM 8631 N N . GLY C 1 284 ? 2.869 -25.676 -40.597 1.00 20.63 ? 283 GLY C N 1 ATOM 8632 C CA . GLY C 1 284 ? 4.008 -24.788 -40.717 1.00 21.46 ? 283 GLY C CA 1 ATOM 8633 C C . GLY C 1 284 ? 4.162 -23.766 -39.588 1.00 21.86 ? 283 GLY C C 1 ATOM 8634 O O . GLY C 1 284 ? 5.067 -22.938 -39.641 1.00 20.94 ? 283 GLY C O 1 ATOM 8635 N N . LEU C 1 285 ? 3.298 -23.804 -38.571 1.00 20.15 ? 284 LEU C N 1 ATOM 8636 C CA . LEU C 1 285 ? 3.297 -22.740 -37.539 1.00 20.93 ? 284 LEU C CA 1 ATOM 8637 C C . LEU C 1 285 ? 4.579 -22.740 -36.716 1.00 22.18 ? 284 LEU C C 1 ATOM 8638 O O . LEU C 1 285 ? 5.131 -21.682 -36.429 1.00 21.83 ? 284 LEU C O 1 ATOM 8639 C CB . LEU C 1 285 ? 2.121 -22.900 -36.584 1.00 20.60 ? 284 LEU C CB 1 ATOM 8640 C CG . LEU C 1 285 ? 0.752 -22.689 -37.219 1.00 20.67 ? 284 LEU C CG 1 ATOM 8641 C CD1 . LEU C 1 285 ? -0.355 -23.064 -36.237 1.00 19.95 ? 284 LEU C CD1 1 ATOM 8642 C CD2 . LEU C 1 285 ? 0.625 -21.250 -37.706 1.00 22.73 ? 284 LEU C CD2 1 ATOM 8643 N N . VAL C 1 286 ? 5.001 -23.920 -36.293 1.00 23.13 ? 285 VAL C N 1 ATOM 8644 C CA . VAL C 1 286 ? 6.204 -24.070 -35.503 1.00 24.53 ? 285 VAL C CA 1 ATOM 8645 C C . VAL C 1 286 ? 7.345 -24.430 -36.440 1.00 27.76 ? 285 VAL C C 1 ATOM 8646 O O . VAL C 1 286 ? 7.278 -25.402 -37.179 1.00 29.32 ? 285 VAL C O 1 ATOM 8647 C CB . VAL C 1 286 ? 6.010 -25.131 -34.417 1.00 24.33 ? 285 VAL C CB 1 ATOM 8648 C CG1 . VAL C 1 286 ? 7.321 -25.515 -33.771 1.00 25.29 ? 285 VAL C CG1 1 ATOM 8649 C CG2 . VAL C 1 286 ? 5.040 -24.608 -33.375 1.00 24.44 ? 285 VAL C CG2 1 ATOM 8650 N N . GLU C 1 287 ? 8.376 -23.612 -36.441 1.00 30.70 ? 286 GLU C N 1 ATOM 8651 C CA . GLU C 1 287 ? 9.485 -23.812 -37.355 1.00 35.20 ? 286 GLU C CA 1 ATOM 8652 C C . GLU C 1 287 ? 10.259 -25.056 -36.927 1.00 35.96 ? 286 GLU C C 1 ATOM 8653 O O . GLU C 1 287 ? 10.746 -25.167 -35.791 1.00 30.90 ? 286 GLU C O 1 ATOM 8654 C CB . GLU C 1 287 ? 10.363 -22.563 -37.416 1.00 38.29 ? 286 GLU C CB 1 ATOM 8655 C CG . GLU C 1 287 ? 10.946 -22.288 -38.790 1.00 45.91 ? 286 GLU C CG 1 ATOM 8656 C CD . GLU C 1 287 ? 11.976 -23.322 -39.205 1.00 49.73 ? 286 GLU C CD 1 ATOM 8657 O OE1 . GLU C 1 287 ? 12.785 -23.747 -38.341 1.00 51.45 ? 286 GLU C OE1 1 ATOM 8658 O OE2 . GLU C 1 287 ? 11.988 -23.693 -40.403 1.00 54.10 ? 286 GLU C OE2 1 ATOM 8659 N N . ALA C 1 288 ? 10.355 -25.972 -37.885 1.00 38.78 ? 287 ALA C N 1 ATOM 8660 C CA . ALA C 1 288 ? 10.875 -27.314 -37.704 1.00 40.54 ? 287 ALA C CA 1 ATOM 8661 C C . ALA C 1 288 ? 12.202 -27.370 -36.948 1.00 42.30 ? 287 ALA C C 1 ATOM 8662 O O . ALA C 1 288 ? 12.373 -28.244 -36.103 1.00 45.72 ? 287 ALA C O 1 ATOM 8663 C CB . ALA C 1 288 ? 11.004 -28.007 -39.070 1.00 41.51 ? 287 ALA C CB 1 ATOM 8664 N N . THR C 1 289 ? 13.134 -26.460 -37.255 1.00 37.31 ? 288 THR C N 1 ATOM 8665 C CA . THR C 1 289 ? 14.485 -26.534 -36.722 1.00 38.06 ? 288 THR C CA 1 ATOM 8666 C C . THR C 1 289 ? 14.872 -25.434 -35.717 1.00 38.45 ? 288 THR C C 1 ATOM 8667 O O . THR C 1 289 ? 15.847 -25.601 -34.979 1.00 41.78 ? 288 THR C O 1 ATOM 8668 C CB . THR C 1 289 ? 15.537 -26.499 -37.880 1.00 40.33 ? 288 THR C CB 1 ATOM 8669 O OG1 . THR C 1 289 ? 15.418 -25.279 -38.611 1.00 39.40 ? 288 THR C OG1 1 ATOM 8670 C CG2 . THR C 1 289 ? 15.323 -27.669 -38.852 1.00 40.83 ? 288 THR C CG2 1 ATOM 8671 N N . MET C 1 290 ? 14.133 -24.322 -35.698 1.00 32.60 ? 289 MET C N 1 ATOM 8672 C CA . MET C 1 290 ? 14.499 -23.145 -34.924 1.00 30.96 ? 289 MET C CA 1 ATOM 8673 C C . MET C 1 290 ? 14.324 -23.382 -33.416 1.00 28.05 ? 289 MET C C 1 ATOM 8674 O O . MET C 1 290 ? 13.222 -23.703 -32.960 1.00 26.31 ? 289 MET C O 1 ATOM 8675 C CB . MET C 1 290 ? 13.641 -21.970 -35.357 1.00 32.35 ? 289 MET C CB 1 ATOM 8676 C CG . MET C 1 290 ? 14.033 -20.634 -34.747 1.00 36.13 ? 289 MET C CG 1 ATOM 8677 S SD . MET C 1 290 ? 12.817 -19.377 -35.213 1.00 41.97 ? 289 MET C SD 1 ATOM 8678 C CE . MET C 1 290 ? 13.552 -17.919 -34.454 1.00 41.86 ? 289 MET C CE 1 ATOM 8679 N N . PRO C 1 291 ? 15.406 -23.205 -32.632 1.00 26.34 ? 290 PRO C N 1 ATOM 8680 C CA . PRO C 1 291 ? 15.339 -23.410 -31.188 1.00 24.94 ? 290 PRO C CA 1 ATOM 8681 C C . PRO C 1 291 ? 14.615 -22.249 -30.504 1.00 23.26 ? 290 PRO C C 1 ATOM 8682 O O . PRO C 1 291 ? 14.407 -21.210 -31.130 1.00 22.87 ? 290 PRO C O 1 ATOM 8683 C CB . PRO C 1 291 ? 16.804 -23.429 -30.768 1.00 25.52 ? 290 PRO C CB 1 ATOM 8684 C CG . PRO C 1 291 ? 17.472 -22.539 -31.751 1.00 27.16 ? 290 PRO C CG 1 ATOM 8685 C CD . PRO C 1 291 ? 16.718 -22.678 -33.049 1.00 27.15 ? 290 PRO C CD 1 ATOM 8686 N N . PRO C 1 292 ? 14.263 -22.408 -29.223 1.00 22.14 ? 291 PRO C N 1 ATOM 8687 C CA . PRO C 1 292 ? 13.485 -21.325 -28.584 1.00 21.16 ? 291 PRO C CA 1 ATOM 8688 C C . PRO C 1 292 ? 14.346 -20.109 -28.268 1.00 21.15 ? 291 PRO C C 1 ATOM 8689 O O . PRO C 1 292 ? 13.823 -19.050 -28.153 1.00 21.53 ? 291 PRO C O 1 ATOM 8690 C CB . PRO C 1 292 ? 12.953 -21.976 -27.309 1.00 20.93 ? 291 PRO C CB 1 ATOM 8691 C CG . PRO C 1 292 ? 13.900 -23.109 -27.050 1.00 22.18 ? 291 PRO C CG 1 ATOM 8692 C CD . PRO C 1 292 ? 14.233 -23.637 -28.408 1.00 22.00 ? 291 PRO C CD 1 ATOM 8693 N N . GLY C 1 293 ? 15.663 -20.271 -28.137 1.00 20.98 ? 292 GLY C N 1 ATOM 8694 C CA . GLY C 1 293 ? 16.551 -19.170 -27.891 1.00 20.95 ? 292 GLY C CA 1 ATOM 8695 C C . GLY C 1 293 ? 16.584 -18.683 -26.448 1.00 21.14 ? 292 GLY C C 1 ATOM 8696 O O . GLY C 1 293 ? 16.917 -17.518 -26.184 1.00 21.63 ? 292 GLY C O 1 ATOM 8697 N N . VAL C 1 294 ? 16.231 -19.574 -25.524 1.00 20.01 ? 293 VAL C N 1 ATOM 8698 C CA . VAL C 1 294 ? 16.310 -19.315 -24.088 1.00 19.48 ? 293 VAL C CA 1 ATOM 8699 C C . VAL C 1 294 ? 16.851 -20.559 -23.382 1.00 19.44 ? 293 VAL C C 1 ATOM 8700 O O . VAL C 1 294 ? 16.880 -21.642 -23.968 1.00 18.69 ? 293 VAL C O 1 ATOM 8701 C CB . VAL C 1 294 ? 14.918 -18.988 -23.493 1.00 19.11 ? 293 VAL C CB 1 ATOM 8702 C CG1 . VAL C 1 294 ? 14.305 -17.803 -24.227 1.00 19.61 ? 293 VAL C CG1 1 ATOM 8703 C CG2 . VAL C 1 294 ? 13.991 -20.182 -23.545 1.00 18.90 ? 293 VAL C CG2 1 ATOM 8704 N N . GLN C 1 295 ? 17.292 -20.394 -22.140 1.00 19.13 ? 294 GLN C N 1 ATOM 8705 C CA . GLN C 1 295 ? 17.712 -21.523 -21.335 1.00 19.83 ? 294 GLN C CA 1 ATOM 8706 C C . GLN C 1 295 ? 16.545 -22.489 -21.223 1.00 19.39 ? 294 GLN C C 1 ATOM 8707 O O . GLN C 1 295 ? 15.465 -22.092 -20.815 1.00 18.45 ? 294 GLN C O 1 ATOM 8708 C CB . GLN C 1 295 ? 18.135 -21.079 -19.948 1.00 21.33 ? 294 GLN C CB 1 ATOM 8709 C CG . GLN C 1 295 ? 18.641 -22.248 -19.113 1.00 22.72 ? 294 GLN C CG 1 ATOM 8710 C CD . GLN C 1 295 ? 19.020 -21.815 -17.727 1.00 24.30 ? 294 GLN C CD 1 ATOM 8711 O OE1 . GLN C 1 295 ? 18.291 -22.048 -16.760 1.00 25.74 ? 294 GLN C OE1 1 ATOM 8712 N NE2 . GLN C 1 295 ? 20.133 -21.132 -17.625 1.00 25.92 ? 294 GLN C NE2 1 ATOM 8713 N N . LEU C 1 296 ? 16.766 -23.739 -21.614 1.00 18.92 ? 295 LEU C N 1 ATOM 8714 C CA . LEU C 1 296 ? 15.713 -24.728 -21.721 1.00 19.21 ? 295 LEU C CA 1 ATOM 8715 C C . LEU C 1 296 ? 16.020 -25.956 -20.871 1.00 19.63 ? 295 LEU C C 1 ATOM 8716 O O . LEU C 1 296 ? 17.136 -26.494 -20.927 1.00 20.76 ? 295 LEU C O 1 ATOM 8717 C CB . LEU C 1 296 ? 15.550 -25.130 -23.191 1.00 19.88 ? 295 LEU C CB 1 ATOM 8718 C CG . LEU C 1 296 ? 14.575 -26.243 -23.506 1.00 21.75 ? 295 LEU C CG 1 ATOM 8719 C CD1 . LEU C 1 296 ? 13.150 -25.811 -23.232 1.00 21.51 ? 295 LEU C CD1 1 ATOM 8720 C CD2 . LEU C 1 296 ? 14.754 -26.655 -24.953 1.00 22.75 ? 295 LEU C CD2 1 ATOM 8721 N N . HIS C 1 297 ? 15.048 -26.376 -20.068 1.00 18.49 ? 296 HIS C N 1 ATOM 8722 C CA . HIS C 1 297 ? 15.135 -27.604 -19.283 1.00 19.12 ? 296 HIS C CA 1 ATOM 8723 C C . HIS C 1 297 ? 14.070 -28.531 -19.846 1.00 19.48 ? 296 HIS C C 1 ATOM 8724 O O . HIS C 1 297 ? 12.882 -28.282 -19.676 1.00 19.09 ? 296 HIS C O 1 ATOM 8725 C CB . HIS C 1 297 ? 14.877 -27.333 -17.797 1.00 19.28 ? 296 HIS C CB 1 ATOM 8726 C CG . HIS C 1 297 ? 15.829 -26.347 -17.189 1.00 19.97 ? 296 HIS C CG 1 ATOM 8727 N ND1 . HIS C 1 297 ? 16.889 -26.726 -16.407 1.00 20.68 ? 296 HIS C ND1 1 ATOM 8728 C CD2 . HIS C 1 297 ? 15.875 -24.996 -17.248 1.00 20.46 ? 296 HIS C CD2 1 ATOM 8729 C CE1 . HIS C 1 297 ? 17.572 -25.658 -16.027 1.00 21.40 ? 296 HIS C CE1 1 ATOM 8730 N NE2 . HIS C 1 297 ? 16.985 -24.594 -16.536 1.00 20.59 ? 296 HIS C NE2 1 ATOM 8731 N N . CYS C 1 298 ? 14.512 -29.583 -20.508 1.00 20.62 ? 297 CYS C N 1 ATOM 8732 C CA A CYS C 1 298 ? 13.618 -30.530 -21.186 0.50 21.38 ? 297 CYS C CA 1 ATOM 8733 C CA B CYS C 1 298 ? 13.618 -30.503 -21.199 0.50 21.49 ? 297 CYS C CA 1 ATOM 8734 C C . CYS C 1 298 ? 13.421 -31.780 -20.368 1.00 20.78 ? 297 CYS C C 1 ATOM 8735 O O . CYS C 1 298 ? 14.317 -32.607 -20.269 1.00 20.71 ? 297 CYS C O 1 ATOM 8736 C CB A CYS C 1 298 ? 14.212 -30.928 -22.523 0.50 22.81 ? 297 CYS C CB 1 ATOM 8737 C CB B CYS C 1 298 ? 14.202 -30.768 -22.585 0.50 22.93 ? 297 CYS C CB 1 ATOM 8738 S SG A CYS C 1 298 ? 13.990 -29.662 -23.740 0.50 25.97 ? 297 CYS C SG 1 ATOM 8739 S SG B CYS C 1 298 ? 13.215 -31.836 -23.637 0.50 26.89 ? 297 CYS C SG 1 ATOM 8740 N N . LEU C 1 299 ? 12.262 -31.886 -19.733 1.00 19.09 ? 298 LEU C N 1 ATOM 8741 C CA . LEU C 1 299 ? 11.959 -33.003 -18.856 1.00 19.34 ? 298 LEU C CA 1 ATOM 8742 C C . LEU C 1 299 ? 11.010 -33.963 -19.584 1.00 19.03 ? 298 LEU C C 1 ATOM 8743 O O . LEU C 1 299 ? 9.949 -33.554 -20.036 1.00 17.59 ? 298 LEU C O 1 ATOM 8744 C CB . LEU C 1 299 ? 11.350 -32.509 -17.535 1.00 19.51 ? 298 LEU C CB 1 ATOM 8745 C CG . LEU C 1 299 ? 12.353 -32.062 -16.452 1.00 21.51 ? 298 LEU C CG 1 ATOM 8746 C CD1 . LEU C 1 299 ? 13.183 -30.875 -16.904 1.00 22.06 ? 298 LEU C CD1 1 ATOM 8747 C CD2 . LEU C 1 299 ? 11.636 -31.721 -15.156 1.00 22.34 ? 298 LEU C CD2 1 ATOM 8748 N N . TYR C 1 300 ? 11.409 -35.226 -19.700 1.00 19.40 ? 299 TYR C N 1 ATOM 8749 C CA . TYR C 1 300 ? 10.670 -36.180 -20.515 1.00 19.36 ? 299 TYR C CA 1 ATOM 8750 C C . TYR C 1 300 ? 10.616 -37.515 -19.800 1.00 19.76 ? 299 TYR C C 1 ATOM 8751 O O . TYR C 1 300 ? 11.615 -37.968 -19.216 1.00 19.94 ? 299 TYR C O 1 ATOM 8752 C CB . TYR C 1 300 ? 11.274 -36.305 -21.926 1.00 20.93 ? 299 TYR C CB 1 ATOM 8753 C CG . TYR C 1 300 ? 12.698 -36.788 -21.958 1.00 21.53 ? 299 TYR C CG 1 ATOM 8754 C CD1 . TYR C 1 300 ? 13.761 -35.903 -21.815 1.00 23.54 ? 299 TYR C CD1 1 ATOM 8755 C CD2 . TYR C 1 300 ? 12.998 -38.125 -22.120 1.00 23.24 ? 299 TYR C CD2 1 ATOM 8756 C CE1 . TYR C 1 300 ? 15.083 -36.357 -21.800 1.00 24.46 ? 299 TYR C CE1 1 ATOM 8757 C CE2 . TYR C 1 300 ? 14.314 -38.580 -22.120 1.00 24.59 ? 299 TYR C CE2 1 ATOM 8758 C CZ . TYR C 1 300 ? 15.347 -37.692 -21.969 1.00 26.17 ? 299 TYR C CZ 1 ATOM 8759 O OH . TYR C 1 300 ? 16.651 -38.172 -21.978 1.00 30.15 ? 299 TYR C OH 1 ATOM 8760 N N . GLY C 1 301 ? 9.443 -38.127 -19.816 1.00 18.69 ? 300 GLY C N 1 ATOM 8761 C CA . GLY C 1 301 ? 9.284 -39.428 -19.196 1.00 19.69 ? 300 GLY C CA 1 ATOM 8762 C C . GLY C 1 301 ? 9.716 -40.572 -20.102 1.00 20.21 ? 300 GLY C C 1 ATOM 8763 O O . GLY C 1 301 ? 9.553 -40.506 -21.343 1.00 20.11 ? 300 GLY C O 1 ATOM 8764 N N . THR C 1 302 ? 10.232 -41.634 -19.483 1.00 21.34 ? 301 THR C N 1 ATOM 8765 C CA . THR C 1 302 ? 10.560 -42.873 -20.177 1.00 22.20 ? 301 THR C CA 1 ATOM 8766 C C . THR C 1 302 ? 10.064 -44.059 -19.367 1.00 22.84 ? 301 THR C C 1 ATOM 8767 O O . THR C 1 302 ? 9.605 -43.914 -18.236 1.00 22.91 ? 301 THR C O 1 ATOM 8768 C CB . THR C 1 302 ? 12.073 -43.054 -20.385 1.00 23.69 ? 301 THR C CB 1 ATOM 8769 O OG1 . THR C 1 302 ? 12.729 -43.106 -19.106 1.00 24.34 ? 301 THR C OG1 1 ATOM 8770 C CG2 . THR C 1 302 ? 12.624 -41.924 -21.203 1.00 24.07 ? 301 THR C CG2 1 ATOM 8771 N N . GLY C 1 303 ? 10.125 -45.238 -19.986 1.00 23.90 ? 302 GLY C N 1 ATOM 8772 C CA . GLY C 1 303 ? 9.804 -46.493 -19.303 1.00 24.55 ? 302 GLY C CA 1 ATOM 8773 C C . GLY C 1 303 ? 8.322 -46.764 -19.174 1.00 24.60 ? 302 GLY C C 1 ATOM 8774 O O . GLY C 1 303 ? 7.931 -47.662 -18.426 1.00 24.65 ? 302 GLY C O 1 ATOM 8775 N N . VAL C 1 304 ? 7.490 -45.996 -19.875 1.00 22.33 ? 303 VAL C N 1 ATOM 8776 C CA . VAL C 1 304 ? 6.052 -46.196 -19.857 1.00 22.60 ? 303 VAL C CA 1 ATOM 8777 C C . VAL C 1 304 ? 5.630 -46.599 -21.281 1.00 21.68 ? 303 VAL C C 1 ATOM 8778 O O . VAL C 1 304 ? 5.950 -45.894 -22.224 1.00 20.88 ? 303 VAL C O 1 ATOM 8779 C CB . VAL C 1 304 ? 5.299 -44.897 -19.470 1.00 22.47 ? 303 VAL C CB 1 ATOM 8780 C CG1 . VAL C 1 304 ? 3.804 -45.150 -19.422 1.00 22.90 ? 303 VAL C CG1 1 ATOM 8781 C CG2 . VAL C 1 304 ? 5.809 -44.352 -18.131 1.00 23.31 ? 303 VAL C CG2 1 ATOM 8782 N N . PRO C 1 305 ? 4.959 -47.766 -21.453 1.00 21.83 ? 304 PRO C N 1 ATOM 8783 C CA . PRO C 1 305 ? 4.579 -48.152 -22.812 1.00 21.06 ? 304 PRO C CA 1 ATOM 8784 C C . PRO C 1 305 ? 3.730 -47.076 -23.481 1.00 19.57 ? 304 PRO C C 1 ATOM 8785 O O . PRO C 1 305 ? 2.763 -46.586 -22.888 1.00 19.24 ? 304 PRO C O 1 ATOM 8786 C CB . PRO C 1 305 ? 3.783 -49.455 -22.594 1.00 22.19 ? 304 PRO C CB 1 ATOM 8787 C CG . PRO C 1 305 ? 4.288 -49.978 -21.302 1.00 23.26 ? 304 PRO C CG 1 ATOM 8788 C CD . PRO C 1 305 ? 4.483 -48.756 -20.469 1.00 22.74 ? 304 PRO C CD 1 ATOM 8789 N N . THR C 1 306 ? 4.162 -46.637 -24.660 1.00 18.49 ? 305 THR C N 1 ATOM 8790 C CA . THR C 1 306 ? 3.559 -45.500 -25.349 1.00 18.30 ? 305 THR C CA 1 ATOM 8791 C C . THR C 1 306 ? 3.132 -45.939 -26.751 1.00 18.28 ? 305 THR C C 1 ATOM 8792 O O . THR C 1 306 ? 3.951 -46.455 -27.490 1.00 17.96 ? 305 THR C O 1 ATOM 8793 C CB . THR C 1 306 ? 4.575 -44.355 -25.450 1.00 18.10 ? 305 THR C CB 1 ATOM 8794 O OG1 . THR C 1 306 ? 5.087 -44.081 -24.133 1.00 18.23 ? 305 THR C OG1 1 ATOM 8795 C CG2 . THR C 1 306 ? 3.940 -43.127 -26.051 1.00 17.57 ? 305 THR C CG2 1 ATOM 8796 N N . PRO C 1 307 ? 1.845 -45.784 -27.084 1.00 18.85 ? 306 PRO C N 1 ATOM 8797 C CA . PRO C 1 307 ? 1.396 -46.163 -28.419 1.00 19.70 ? 306 PRO C CA 1 ATOM 8798 C C . PRO C 1 307 ? 2.264 -45.564 -29.529 1.00 20.29 ? 306 PRO C C 1 ATOM 8799 O O . PRO C 1 307 ? 2.524 -44.357 -29.536 1.00 17.78 ? 306 PRO C O 1 ATOM 8800 C CB . PRO C 1 307 ? -0.035 -45.605 -28.476 1.00 20.34 ? 306 PRO C CB 1 ATOM 8801 C CG . PRO C 1 307 ? -0.471 -45.557 -27.064 1.00 21.00 ? 306 PRO C CG 1 ATOM 8802 C CD . PRO C 1 307 ? 0.769 -45.104 -26.335 1.00 20.53 ? 306 PRO C CD 1 ATOM 8803 N N . ASP C 1 308 ? 2.702 -46.437 -30.432 1.00 20.89 ? 307 ASP C N 1 ATOM 8804 C CA . ASP C 1 308 ? 3.618 -46.120 -31.517 1.00 24.44 ? 307 ASP C CA 1 ATOM 8805 C C . ASP C 1 308 ? 2.952 -46.334 -32.902 1.00 21.69 ? 307 ASP C C 1 ATOM 8806 O O . ASP C 1 308 ? 3.246 -45.609 -33.847 1.00 20.99 ? 307 ASP C O 1 ATOM 8807 C CB . ASP C 1 308 ? 4.855 -47.021 -31.373 1.00 30.28 ? 307 ASP C CB 1 ATOM 8808 C CG . ASP C 1 308 ? 5.698 -47.095 -32.629 1.00 38.74 ? 307 ASP C CG 1 ATOM 8809 O OD1 . ASP C 1 308 ? 6.591 -46.231 -32.782 1.00 46.74 ? 307 ASP C OD1 1 ATOM 8810 O OD2 . ASP C 1 308 ? 5.458 -47.995 -33.486 1.00 42.96 ? 307 ASP C OD2 1 ATOM 8811 N N . SER C 1 309 ? 2.066 -47.324 -33.012 1.00 19.45 ? 308 SER C N 1 ATOM 8812 C CA . SER C 1 309 ? 1.375 -47.620 -34.255 1.00 18.69 ? 308 SER C CA 1 ATOM 8813 C C . SER C 1 309 ? 0.197 -48.525 -33.974 1.00 18.07 ? 308 SER C C 1 ATOM 8814 O O . SER C 1 309 ? 0.089 -49.083 -32.876 1.00 17.29 ? 308 SER C O 1 ATOM 8815 C CB . SER C 1 309 ? 2.306 -48.276 -35.285 1.00 20.17 ? 308 SER C CB 1 ATOM 8816 O OG . SER C 1 309 ? 2.966 -49.364 -34.727 1.00 21.54 ? 308 SER C OG 1 ATOM 8817 N N . PHE C 1 310 ? -0.691 -48.631 -34.962 1.00 17.28 ? 309 PHE C N 1 ATOM 8818 C CA . PHE C 1 310 ? -2.017 -49.231 -34.798 1.00 17.62 ? 309 PHE C CA 1 ATOM 8819 C C . PHE C 1 310 ? -2.335 -50.136 -35.962 1.00 18.77 ? 309 PHE C C 1 ATOM 8820 O O . PHE C 1 310 ? -2.102 -49.770 -37.114 1.00 19.84 ? 309 PHE C O 1 ATOM 8821 C CB . PHE C 1 310 ? -3.063 -48.129 -34.695 1.00 17.41 ? 309 PHE C CB 1 ATOM 8822 C CG . PHE C 1 310 ? -2.743 -47.121 -33.633 1.00 17.48 ? 309 PHE C CG 1 ATOM 8823 C CD1 . PHE C 1 310 ? -3.033 -47.386 -32.297 1.00 17.90 ? 309 PHE C CD1 1 ATOM 8824 C CD2 . PHE C 1 310 ? -2.094 -45.951 -33.954 1.00 17.75 ? 309 PHE C CD2 1 ATOM 8825 C CE1 . PHE C 1 310 ? -2.721 -46.480 -31.307 1.00 18.55 ? 309 PHE C CE1 1 ATOM 8826 C CE2 . PHE C 1 310 ? -1.761 -45.039 -32.971 1.00 17.81 ? 309 PHE C CE2 1 ATOM 8827 C CZ . PHE C 1 310 ? -2.087 -45.302 -31.642 1.00 17.52 ? 309 PHE C CZ 1 ATOM 8828 N N . TYR C 1 311 ? -2.916 -51.279 -35.659 1.00 19.89 ? 310 TYR C N 1 ATOM 8829 C CA . TYR C 1 311 ? -3.415 -52.186 -36.675 1.00 21.84 ? 310 TYR C CA 1 ATOM 8830 C C . TYR C 1 311 ? -4.938 -52.256 -36.550 1.00 21.84 ? 310 TYR C C 1 ATOM 8831 O O . TYR C 1 311 ? -5.459 -52.661 -35.518 1.00 21.69 ? 310 TYR C O 1 ATOM 8832 C CB . TYR C 1 311 ? -2.812 -53.573 -36.526 1.00 24.35 ? 310 TYR C CB 1 ATOM 8833 C CG . TYR C 1 311 ? -3.153 -54.399 -37.727 1.00 28.60 ? 310 TYR C CG 1 ATOM 8834 C CD1 . TYR C 1 311 ? -4.382 -55.031 -37.875 1.00 32.89 ? 310 TYR C CD1 1 ATOM 8835 C CD2 . TYR C 1 311 ? -2.259 -54.458 -38.779 1.00 31.35 ? 310 TYR C CD2 1 ATOM 8836 C CE1 . TYR C 1 311 ? -4.681 -55.750 -39.036 1.00 35.71 ? 310 TYR C CE1 1 ATOM 8837 C CE2 . TYR C 1 311 ? -2.540 -55.169 -39.927 1.00 35.14 ? 310 TYR C CE2 1 ATOM 8838 C CZ . TYR C 1 311 ? -3.754 -55.805 -40.059 1.00 36.86 ? 310 TYR C CZ 1 ATOM 8839 O OH . TYR C 1 311 ? -3.999 -56.506 -41.233 1.00 42.42 ? 310 TYR C OH 1 ATOM 8840 N N . TYR C 1 312 ? -5.644 -51.896 -37.618 1.00 21.83 ? 311 TYR C N 1 ATOM 8841 C CA . TYR C 1 312 ? -7.109 -51.938 -37.640 1.00 24.01 ? 311 TYR C CA 1 ATOM 8842 C C . TYR C 1 312 ? -7.588 -53.101 -38.497 1.00 27.10 ? 311 TYR C C 1 ATOM 8843 O O . TYR C 1 312 ? -7.288 -53.161 -39.674 1.00 30.12 ? 311 TYR C O 1 ATOM 8844 C CB . TYR C 1 312 ? -7.676 -50.671 -38.227 1.00 23.15 ? 311 TYR C CB 1 ATOM 8845 C CG . TYR C 1 312 ? -7.651 -49.473 -37.332 1.00 21.22 ? 311 TYR C CG 1 ATOM 8846 C CD1 . TYR C 1 312 ? -6.516 -48.692 -37.224 1.00 20.93 ? 311 TYR C CD1 1 ATOM 8847 C CD2 . TYR C 1 312 ? -8.777 -49.105 -36.611 1.00 21.10 ? 311 TYR C CD2 1 ATOM 8848 C CE1 . TYR C 1 312 ? -6.482 -47.579 -36.400 1.00 19.92 ? 311 TYR C CE1 1 ATOM 8849 C CE2 . TYR C 1 312 ? -8.768 -47.990 -35.788 1.00 20.12 ? 311 TYR C CE2 1 ATOM 8850 C CZ . TYR C 1 312 ? -7.626 -47.227 -35.690 1.00 20.11 ? 311 TYR C CZ 1 ATOM 8851 O OH . TYR C 1 312 ? -7.637 -46.142 -34.852 1.00 20.11 ? 311 TYR C OH 1 ATOM 8852 N N . GLU C 1 313 ? -8.305 -54.032 -37.901 1.00 30.48 ? 312 GLU C N 1 ATOM 8853 C CA . GLU C 1 313 ? -8.941 -55.102 -38.678 1.00 34.69 ? 312 GLU C CA 1 ATOM 8854 C C . GLU C 1 313 ? -10.176 -54.568 -39.390 1.00 34.32 ? 312 GLU C C 1 ATOM 8855 O O . GLU C 1 313 ? -10.531 -55.051 -40.453 1.00 34.61 ? 312 GLU C O 1 ATOM 8856 C CB . GLU C 1 313 ? -9.288 -56.275 -37.772 1.00 38.82 ? 312 GLU C CB 1 ATOM 8857 C CG . GLU C 1 313 ? -8.017 -56.916 -37.216 1.00 45.85 ? 312 GLU C CG 1 ATOM 8858 C CD . GLU C 1 313 ? -8.248 -57.882 -36.068 1.00 51.50 ? 312 GLU C CD 1 ATOM 8859 O OE1 . GLU C 1 313 ? -9.392 -58.344 -35.861 1.00 56.25 ? 312 GLU C OE1 1 ATOM 8860 O OE2 . GLU C 1 313 ? -7.257 -58.199 -35.372 1.00 55.56 ? 312 GLU C OE2 1 ATOM 8861 N N . SER C 1 314 ? -10.810 -53.566 -38.788 1.00 33.99 ? 313 SER C N 1 ATOM 8862 C CA . SER C 1 314 ? -11.933 -52.859 -39.380 1.00 35.55 ? 313 SER C CA 1 ATOM 8863 C C . SER C 1 314 ? -11.747 -51.366 -39.114 1.00 32.35 ? 313 SER C C 1 ATOM 8864 O O . SER C 1 314 ? -11.777 -50.921 -37.963 1.00 35.67 ? 313 SER C O 1 ATOM 8865 C CB . SER C 1 314 ? -13.236 -53.354 -38.759 1.00 37.61 ? 313 SER C CB 1 ATOM 8866 O OG . SER C 1 314 ? -14.329 -52.556 -39.177 1.00 42.51 ? 313 SER C OG 1 ATOM 8867 N N . PHE C 1 315 ? -11.556 -50.601 -40.177 1.00 29.70 ? 314 PHE C N 1 ATOM 8868 C CA . PHE C 1 315 ? -11.169 -49.202 -40.089 1.00 28.05 ? 314 PHE C CA 1 ATOM 8869 C C . PHE C 1 315 ? -12.264 -48.323 -40.677 1.00 28.78 ? 314 PHE C C 1 ATOM 8870 O O . PHE C 1 315 ? -12.780 -48.667 -41.719 1.00 29.48 ? 314 PHE C O 1 ATOM 8871 C CB . PHE C 1 315 ? -9.902 -49.042 -40.906 1.00 26.51 ? 314 PHE C CB 1 ATOM 8872 C CG . PHE C 1 315 ? -9.350 -47.647 -40.950 1.00 23.97 ? 314 PHE C CG 1 ATOM 8873 C CD1 . PHE C 1 315 ? -8.583 -47.168 -39.918 1.00 23.02 ? 314 PHE C CD1 1 ATOM 8874 C CD2 . PHE C 1 315 ? -9.519 -46.858 -42.075 1.00 23.76 ? 314 PHE C CD2 1 ATOM 8875 C CE1 . PHE C 1 315 ? -8.023 -45.911 -39.972 1.00 22.36 ? 314 PHE C CE1 1 ATOM 8876 C CE2 . PHE C 1 315 ? -8.971 -45.598 -42.139 1.00 22.90 ? 314 PHE C CE2 1 ATOM 8877 C CZ . PHE C 1 315 ? -8.219 -45.121 -41.090 1.00 22.13 ? 314 PHE C CZ 1 ATOM 8878 N N . PRO C 1 316 ? -12.630 -47.200 -40.059 1.00 28.84 ? 315 PRO C N 1 ATOM 8879 C CA . PRO C 1 316 ? -12.049 -46.658 -38.833 1.00 29.91 ? 315 PRO C CA 1 ATOM 8880 C C . PRO C 1 316 ? -12.926 -46.808 -37.567 1.00 32.49 ? 315 PRO C C 1 ATOM 8881 O O . PRO C 1 316 ? -12.620 -46.188 -36.552 1.00 33.80 ? 315 PRO C O 1 ATOM 8882 C CB . PRO C 1 316 ? -11.971 -45.174 -39.166 1.00 29.25 ? 315 PRO C CB 1 ATOM 8883 C CG . PRO C 1 316 ? -13.235 -44.941 -39.946 1.00 29.60 ? 315 PRO C CG 1 ATOM 8884 C CD . PRO C 1 316 ? -13.489 -46.209 -40.735 1.00 29.76 ? 315 PRO C CD 1 ATOM 8885 N N . ASP C 1 317 ? -14.014 -47.576 -37.609 1.00 33.77 ? 316 ASP C N 1 ATOM 8886 C CA . ASP C 1 317 ? -15.011 -47.505 -36.519 1.00 37.90 ? 316 ASP C CA 1 ATOM 8887 C C . ASP C 1 317 ? -14.884 -48.590 -35.444 1.00 41.22 ? 316 ASP C C 1 ATOM 8888 O O . ASP C 1 317 ? -15.817 -48.766 -34.650 1.00 45.32 ? 316 ASP C O 1 ATOM 8889 C CB . ASP C 1 317 ? -16.452 -47.527 -37.083 1.00 40.41 ? 316 ASP C CB 1 ATOM 8890 C CG . ASP C 1 317 ? -16.820 -46.247 -37.829 1.00 42.34 ? 316 ASP C CG 1 ATOM 8891 O OD1 . ASP C 1 317 ? -16.216 -45.167 -37.596 1.00 40.52 ? 316 ASP C OD1 1 ATOM 8892 O OD2 . ASP C 1 317 ? -17.733 -46.320 -38.676 1.00 47.07 ? 316 ASP C OD2 1 ATOM 8893 N N . ARG C 1 318 ? -13.769 -49.316 -35.425 1.00 37.60 ? 317 ARG C N 1 ATOM 8894 C CA . ARG C 1 318 ? -13.499 -50.313 -34.398 1.00 40.06 ? 317 ARG C CA 1 ATOM 8895 C C . ARG C 1 318 ? -12.129 -50.016 -33.797 1.00 35.98 ? 317 ARG C C 1 ATOM 8896 O O . ARG C 1 318 ? -11.243 -49.532 -34.497 1.00 33.62 ? 317 ARG C O 1 ATOM 8897 C CB . ARG C 1 318 ? -13.493 -51.712 -35.011 1.00 45.63 ? 317 ARG C CB 1 ATOM 8898 C CG . ARG C 1 318 ? -14.856 -52.330 -35.260 1.00 53.71 ? 317 ARG C CG 1 ATOM 8899 C CD . ARG C 1 318 ? -15.093 -53.464 -34.312 1.00 60.44 ? 317 ARG C CD 1 ATOM 8900 N NE . ARG C 1 318 ? -14.083 -54.501 -34.519 1.00 66.80 ? 317 ARG C NE 1 ATOM 8901 C CZ . ARG C 1 318 ? -14.095 -55.411 -35.493 1.00 71.08 ? 317 ARG C CZ 1 ATOM 8902 N NH1 . ARG C 1 318 ? -15.093 -55.463 -36.374 1.00 72.83 ? 317 ARG C NH1 1 ATOM 8903 N NH2 . ARG C 1 318 ? -13.100 -56.288 -35.582 1.00 72.55 ? 317 ARG C NH2 1 ATOM 8904 N N . ASP C 1 319 ? -11.951 -50.325 -32.519 1.00 33.82 ? 318 ASP C N 1 ATOM 8905 C CA . ASP C 1 319 ? -10.685 -50.046 -31.833 1.00 32.19 ? 318 ASP C CA 1 ATOM 8906 C C . ASP C 1 319 ? -9.552 -50.896 -32.413 1.00 28.31 ? 318 ASP C C 1 ATOM 8907 O O . ASP C 1 319 ? -9.756 -52.054 -32.755 1.00 28.19 ? 318 ASP C O 1 ATOM 8908 C CB . ASP C 1 319 ? -10.798 -50.312 -30.333 1.00 35.82 ? 318 ASP C CB 1 ATOM 8909 C CG . ASP C 1 319 ? -11.661 -49.277 -29.602 1.00 39.39 ? 318 ASP C CG 1 ATOM 8910 O OD1 . ASP C 1 319 ? -11.797 -48.107 -30.066 1.00 41.06 ? 318 ASP C OD1 1 ATOM 8911 O OD2 . ASP C 1 319 ? -12.191 -49.648 -28.533 1.00 41.35 ? 318 ASP C OD2 1 ATOM 8912 N N . PRO C 1 320 ? -8.363 -50.313 -32.562 1.00 23.49 ? 319 PRO C N 1 ATOM 8913 C CA . PRO C 1 320 ? -7.261 -51.045 -33.151 1.00 22.34 ? 319 PRO C CA 1 ATOM 8914 C C . PRO C 1 320 ? -6.459 -51.869 -32.150 1.00 22.49 ? 319 PRO C C 1 ATOM 8915 O O . PRO C 1 320 ? -6.591 -51.669 -30.940 1.00 22.44 ? 319 PRO C O 1 ATOM 8916 C CB . PRO C 1 320 ? -6.371 -49.924 -33.689 1.00 21.78 ? 319 PRO C CB 1 ATOM 8917 C CG . PRO C 1 320 ? -6.571 -48.820 -32.720 1.00 21.22 ? 319 PRO C CG 1 ATOM 8918 C CD . PRO C 1 320 ? -8.017 -48.902 -32.323 1.00 22.24 ? 319 PRO C CD 1 ATOM 8919 N N . LYS C 1 321 ? -5.624 -52.767 -32.667 1.00 22.04 ? 320 LYS C N 1 ATOM 8920 C CA . LYS C 1 321 ? -4.539 -53.384 -31.886 1.00 22.41 ? 320 LYS C CA 1 ATOM 8921 C C . LYS C 1 321 ? -3.387 -52.412 -31.833 1.00 21.25 ? 320 LYS C C 1 ATOM 8922 O O . LYS C 1 321 ? -3.221 -51.637 -32.765 1.00 19.84 ? 320 LYS C O 1 ATOM 8923 C CB . LYS C 1 321 ? -4.036 -54.657 -32.559 1.00 23.89 ? 320 LYS C CB 1 ATOM 8924 C CG . LYS C 1 321 ? -5.101 -55.645 -32.977 1.00 26.08 ? 320 LYS C CG 1 ATOM 8925 C CD . LYS C 1 321 ? -6.101 -55.942 -31.888 1.00 27.77 ? 320 LYS C CD 1 ATOM 8926 C CE . LYS C 1 321 ? -7.235 -56.745 -32.503 1.00 29.99 ? 320 LYS C CE 1 ATOM 8927 N NZ . LYS C 1 321 ? -8.200 -57.081 -31.454 1.00 32.26 ? 320 LYS C NZ 1 ATOM 8928 N N . ILE C 1 322 ? -2.607 -52.420 -30.754 1.00 19.99 ? 321 ILE C N 1 ATOM 8929 C CA . ILE C 1 322 ? -1.636 -51.386 -30.525 1.00 19.81 ? 321 ILE C CA 1 ATOM 8930 C C . ILE C 1 322 ? -0.223 -51.934 -30.393 1.00 20.32 ? 321 ILE C C 1 ATOM 8931 O O . ILE C 1 322 ? 0.006 -52.935 -29.696 1.00 19.97 ? 321 ILE C O 1 ATOM 8932 C CB . ILE C 1 322 ? -1.996 -50.556 -29.254 1.00 20.31 ? 321 ILE C CB 1 ATOM 8933 C CG1 . ILE C 1 322 ? -3.409 -49.956 -29.379 1.00 21.10 ? 321 ILE C CG1 1 ATOM 8934 C CG2 . ILE C 1 322 ? -0.993 -49.430 -29.032 1.00 20.63 ? 321 ILE C CG2 1 ATOM 8935 C CD1 . ILE C 1 322 ? -3.868 -49.190 -28.137 1.00 22.96 ? 321 ILE C CD1 1 ATOM 8936 N N . CYS C 1 323 ? 0.705 -51.265 -31.060 1.00 19.98 ? 322 CYS C N 1 ATOM 8937 C CA A CYS C 1 323 ? 2.134 -51.506 -30.871 0.50 20.61 ? 322 CYS C CA 1 ATOM 8938 C CA B CYS C 1 323 ? 2.148 -51.494 -30.870 0.50 20.57 ? 322 CYS C CA 1 ATOM 8939 C C . CYS C 1 323 ? 2.713 -50.373 -30.007 1.00 20.37 ? 322 CYS C C 1 ATOM 8940 O O . CYS C 1 323 ? 2.421 -49.192 -30.252 1.00 20.05 ? 322 CYS C O 1 ATOM 8941 C CB A CYS C 1 323 ? 2.824 -51.555 -32.228 0.50 21.50 ? 322 CYS C CB 1 ATOM 8942 C CB B CYS C 1 323 ? 2.893 -51.480 -32.202 0.50 21.41 ? 322 CYS C CB 1 ATOM 8943 S SG A CYS C 1 323 ? 4.603 -51.949 -32.153 0.50 23.58 ? 322 CYS C SG 1 ATOM 8944 S SG B CYS C 1 323 ? 2.696 -52.969 -33.167 0.50 23.21 ? 322 CYS C SG 1 ATOM 8945 N N . PHE C 1 324 ? 3.531 -50.726 -29.017 1.00 20.33 ? 323 PHE C N 1 ATOM 8946 C CA . PHE C 1 324 ? 4.031 -49.749 -28.045 1.00 20.66 ? 323 PHE C CA 1 ATOM 8947 C C . PHE C 1 324 ? 5.519 -49.529 -28.182 1.00 20.90 ? 323 PHE C C 1 ATOM 8948 O O . PHE C 1 324 ? 6.272 -50.484 -28.421 1.00 22.01 ? 323 PHE C O 1 ATOM 8949 C CB . PHE C 1 324 ? 3.768 -50.232 -26.609 1.00 20.79 ? 323 PHE C CB 1 ATOM 8950 C CG . PHE C 1 324 ? 2.309 -50.331 -26.254 1.00 20.73 ? 323 PHE C CG 1 ATOM 8951 C CD1 . PHE C 1 324 ? 1.635 -49.229 -25.777 1.00 20.77 ? 323 PHE C CD1 1 ATOM 8952 C CD2 . PHE C 1 324 ? 1.618 -51.516 -26.411 1.00 21.69 ? 323 PHE C CD2 1 ATOM 8953 C CE1 . PHE C 1 324 ? 0.294 -49.282 -25.450 1.00 21.16 ? 323 PHE C CE1 1 ATOM 8954 C CE2 . PHE C 1 324 ? 0.265 -51.578 -26.083 1.00 22.08 ? 323 PHE C CE2 1 ATOM 8955 C CZ . PHE C 1 324 ? -0.396 -50.464 -25.598 1.00 21.77 ? 323 PHE C CZ 1 ATOM 8956 N N . GLY C 1 325 ? 5.938 -48.291 -27.989 1.00 20.52 ? 324 GLY C N 1 ATOM 8957 C CA . GLY C 1 325 ? 7.357 -47.954 -27.848 1.00 21.20 ? 324 GLY C CA 1 ATOM 8958 C C . GLY C 1 325 ? 7.602 -47.244 -26.530 1.00 21.70 ? 324 GLY C C 1 ATOM 8959 O O . GLY C 1 325 ? 6.767 -47.284 -25.632 1.00 20.52 ? 324 GLY C O 1 ATOM 8960 N N . ASP C 1 326 ? 8.759 -46.604 -26.417 1.00 21.44 ? 325 ASP C N 1 ATOM 8961 C CA . ASP C 1 326 ? 9.141 -45.972 -25.173 1.00 21.72 ? 325 ASP C CA 1 ATOM 8962 C C . ASP C 1 326 ? 8.627 -44.518 -25.170 1.00 20.36 ? 325 ASP C C 1 ATOM 8963 O O . ASP C 1 326 ? 8.270 -43.955 -26.217 1.00 19.85 ? 325 ASP C O 1 ATOM 8964 C CB . ASP C 1 326 ? 10.652 -46.035 -25.012 1.00 23.98 ? 325 ASP C CB 1 ATOM 8965 C CG . ASP C 1 326 ? 11.112 -45.876 -23.577 1.00 25.94 ? 325 ASP C CG 1 ATOM 8966 O OD1 . ASP C 1 326 ? 10.298 -45.595 -22.663 1.00 26.21 ? 325 ASP C OD1 1 ATOM 8967 O OD2 . ASP C 1 326 ? 12.326 -46.073 -23.360 1.00 29.16 ? 325 ASP C OD2 1 ATOM 8968 N N . GLY C 1 327 ? 8.520 -43.968 -23.975 1.00 19.77 ? 326 GLY C N 1 ATOM 8969 C CA . GLY C 1 327 ? 7.988 -42.616 -23.736 1.00 19.20 ? 326 GLY C CA 1 ATOM 8970 C C . GLY C 1 327 ? 7.315 -42.536 -22.374 1.00 19.17 ? 326 GLY C C 1 ATOM 8971 O O . GLY C 1 327 ? 7.657 -43.295 -21.451 1.00 19.14 ? 326 GLY C O 1 ATOM 8972 N N . ASP C 1 328 ? 6.341 -41.635 -22.257 1.00 18.56 ? 327 ASP C N 1 ATOM 8973 C CA . ASP C 1 328 ? 5.660 -41.373 -20.984 1.00 19.33 ? 327 ASP C CA 1 ATOM 8974 C C . ASP C 1 328 ? 4.214 -41.828 -20.962 1.00 19.18 ? 327 ASP C C 1 ATOM 8975 O O . ASP C 1 328 ? 3.466 -41.471 -20.051 1.00 19.35 ? 327 ASP C O 1 ATOM 8976 C CB . ASP C 1 328 ? 5.763 -39.874 -20.603 1.00 18.77 ? 327 ASP C CB 1 ATOM 8977 C CG . ASP C 1 328 ? 4.920 -38.957 -21.471 1.00 19.69 ? 327 ASP C CG 1 ATOM 8978 O OD1 . ASP C 1 328 ? 4.107 -39.457 -22.300 1.00 19.94 ? 327 ASP C OD1 1 ATOM 8979 O OD2 . ASP C 1 328 ? 5.043 -37.697 -21.326 1.00 19.61 ? 327 ASP C OD2 1 ATOM 8980 N N . GLY C 1 329 ? 3.835 -42.658 -21.938 1.00 19.40 ? 328 GLY C N 1 ATOM 8981 C CA . GLY C 1 329 ? 2.455 -43.117 -22.055 1.00 19.54 ? 328 GLY C CA 1 ATOM 8982 C C . GLY C 1 329 ? 1.686 -42.400 -23.136 1.00 20.32 ? 328 GLY C C 1 ATOM 8983 O O . GLY C 1 329 ? 0.769 -42.960 -23.706 1.00 20.46 ? 328 GLY C O 1 ATOM 8984 N N . THR C 1 330 ? 2.096 -41.180 -23.459 1.00 19.61 ? 329 THR C N 1 ATOM 8985 C CA . THR C 1 330 ? 1.450 -40.324 -24.457 1.00 20.79 ? 329 THR C CA 1 ATOM 8986 C C . THR C 1 330 ? 2.465 -39.803 -25.471 1.00 19.76 ? 329 THR C C 1 ATOM 8987 O O . THR C 1 330 ? 2.318 -39.992 -26.667 1.00 21.05 ? 329 THR C O 1 ATOM 8988 C CB . THR C 1 330 ? 0.750 -39.131 -23.755 1.00 21.79 ? 329 THR C CB 1 ATOM 8989 O OG1 . THR C 1 330 ? -0.259 -39.633 -22.880 1.00 24.18 ? 329 THR C OG1 1 ATOM 8990 C CG2 . THR C 1 330 ? 0.115 -38.180 -24.740 1.00 23.11 ? 329 THR C CG2 1 ATOM 8991 N N . VAL C 1 331 ? 3.511 -39.160 -24.980 1.00 18.63 ? 330 VAL C N 1 ATOM 8992 C CA . VAL C 1 331 ? 4.553 -38.613 -25.804 1.00 17.75 ? 330 VAL C CA 1 ATOM 8993 C C . VAL C 1 331 ? 5.624 -39.664 -26.076 1.00 18.04 ? 330 VAL C C 1 ATOM 8994 O O . VAL C 1 331 ? 6.240 -40.194 -25.157 1.00 17.81 ? 330 VAL C O 1 ATOM 8995 C CB . VAL C 1 331 ? 5.174 -37.380 -25.126 1.00 18.25 ? 330 VAL C CB 1 ATOM 8996 C CG1 . VAL C 1 331 ? 6.346 -36.838 -25.931 1.00 18.58 ? 330 VAL C CG1 1 ATOM 8997 C CG2 . VAL C 1 331 ? 4.110 -36.307 -24.918 1.00 18.15 ? 330 VAL C CG2 1 ATOM 8998 N N . ASN C 1 332 ? 5.834 -39.949 -27.352 1.00 18.45 ? 331 ASN C N 1 ATOM 8999 C CA . ASN C 1 332 ? 6.826 -40.909 -27.772 1.00 19.29 ? 331 ASN C CA 1 ATOM 9000 C C . ASN C 1 332 ? 8.203 -40.359 -27.441 1.00 20.05 ? 331 ASN C C 1 ATOM 9001 O O . ASN C 1 332 ? 8.447 -39.144 -27.572 1.00 19.44 ? 331 ASN C O 1 ATOM 9002 C CB . ASN C 1 332 ? 6.683 -41.172 -29.268 1.00 19.14 ? 331 ASN C CB 1 ATOM 9003 C CG . ASN C 1 332 ? 5.286 -41.671 -29.636 1.00 19.59 ? 331 ASN C CG 1 ATOM 9004 O OD1 . ASN C 1 332 ? 4.387 -40.863 -29.966 1.00 18.95 ? 331 ASN C OD1 1 ATOM 9005 N ND2 . ASN C 1 332 ? 5.099 -42.973 -29.583 1.00 19.03 ? 331 ASN C ND2 1 ATOM 9006 N N . LEU C 1 333 ? 9.102 -41.249 -27.027 1.00 20.64 ? 332 LEU C N 1 ATOM 9007 C CA . LEU C 1 333 ? 10.465 -40.850 -26.679 1.00 21.95 ? 332 LEU C CA 1 ATOM 9008 C C . LEU C 1 333 ? 11.156 -40.028 -27.780 1.00 23.58 ? 332 LEU C C 1 ATOM 9009 O O . LEU C 1 333 ? 11.873 -39.069 -27.477 1.00 24.62 ? 332 LEU C O 1 ATOM 9010 C CB . LEU C 1 333 ? 11.314 -42.066 -26.346 1.00 23.04 ? 332 LEU C CB 1 ATOM 9011 C CG . LEU C 1 333 ? 12.754 -41.786 -25.905 1.00 24.21 ? 332 LEU C CG 1 ATOM 9012 C CD1 . LEU C 1 333 ? 12.771 -40.828 -24.723 1.00 25.31 ? 332 LEU C CD1 1 ATOM 9013 C CD2 . LEU C 1 333 ? 13.426 -43.106 -25.557 1.00 25.13 ? 332 LEU C CD2 1 ATOM 9014 N N . LYS C 1 334 ? 10.940 -40.376 -29.035 1.00 24.14 ? 333 LYS C N 1 ATOM 9015 C CA . LYS C 1 334 ? 11.603 -39.653 -30.124 1.00 27.42 ? 333 LYS C CA 1 ATOM 9016 C C . LYS C 1 334 ? 11.231 -38.152 -30.201 1.00 23.93 ? 333 LYS C C 1 ATOM 9017 O O . LYS C 1 334 ? 12.030 -37.363 -30.636 1.00 22.65 ? 333 LYS C O 1 ATOM 9018 C CB . LYS C 1 334 ? 11.370 -40.353 -31.475 1.00 33.43 ? 333 LYS C CB 1 ATOM 9019 C CG . LYS C 1 334 ? 12.046 -41.705 -31.506 1.00 40.08 ? 333 LYS C CG 1 ATOM 9020 C CD . LYS C 1 334 ? 11.816 -42.385 -32.842 1.00 47.48 ? 333 LYS C CD 1 ATOM 9021 C CE . LYS C 1 334 ? 12.778 -41.856 -33.887 1.00 53.20 ? 333 LYS C CE 1 ATOM 9022 N NZ . LYS C 1 334 ? 12.063 -41.727 -35.181 1.00 60.46 ? 333 LYS C NZ 1 ATOM 9023 N N A SER C 1 335 ? 10.216 -37.684 -29.489 0.80 28.21 ? 334 SER C N 1 ATOM 9024 N N B SER C 1 335 ? 9.916 -37.933 -30.071 0.20 18.64 ? 334 SER C N 1 ATOM 9025 C CA A SER C 1 335 ? 10.157 -36.192 -29.202 0.80 28.35 ? 334 SER C CA 1 ATOM 9026 C CA B SER C 1 335 ? 9.279 -36.631 -30.175 0.20 15.68 ? 334 SER C CA 1 ATOM 9027 C C A SER C 1 335 ? 11.424 -35.546 -28.518 0.80 31.30 ? 334 SER C C 1 ATOM 9028 C C B SER C 1 335 ? 9.828 -35.785 -29.064 0.20 14.35 ? 334 SER C C 1 ATOM 9029 O O A SER C 1 335 ? 11.811 -34.415 -28.862 0.80 30.67 ? 334 SER C O 1 ATOM 9030 O O B SER C 1 335 ? 10.249 -34.665 -29.280 0.20 13.80 ? 334 SER C O 1 ATOM 9031 C CB A SER C 1 335 ? 8.912 -35.852 -28.422 0.80 29.91 ? 334 SER C CB 1 ATOM 9032 C CB B SER C 1 335 ? 7.753 -36.755 -30.000 0.20 14.67 ? 334 SER C CB 1 ATOM 9033 O OG A SER C 1 335 ? 7.758 -36.073 -29.239 0.80 32.04 ? 334 SER C OG 1 ATOM 9034 O OG B SER C 1 335 ? 7.079 -35.554 -30.358 0.20 13.33 ? 334 SER C OG 1 ATOM 9035 N N A ALA C 1 336 ? 12.068 -36.238 -27.573 0.80 29.82 ? 335 ALA C N 1 ATOM 9036 N N B ALA C 1 336 ? 9.811 -36.362 -27.871 0.20 13.43 ? 335 ALA C N 1 ATOM 9037 C CA A ALA C 1 336 ? 13.231 -35.689 -26.878 0.80 34.36 ? 335 ALA C CA 1 ATOM 9038 C CA B ALA C 1 336 ? 10.329 -35.713 -26.682 0.20 13.12 ? 335 ALA C CA 1 ATOM 9039 C C A ALA C 1 336 ? 14.429 -35.383 -27.789 0.80 35.47 ? 335 ALA C C 1 ATOM 9040 C C B ALA C 1 336 ? 11.775 -35.274 -26.893 0.20 13.15 ? 335 ALA C C 1 ATOM 9041 O O A ALA C 1 336 ? 15.257 -34.553 -27.450 0.80 37.52 ? 335 ALA C O 1 ATOM 9042 O O B ALA C 1 336 ? 12.167 -34.197 -26.446 0.20 12.62 ? 335 ALA C O 1 ATOM 9043 C CB A ALA C 1 336 ? 13.672 -36.621 -25.748 0.80 35.82 ? 335 ALA C CB 1 ATOM 9044 C CB B ALA C 1 336 ? 10.227 -36.657 -25.499 0.20 13.38 ? 335 ALA C CB 1 ATOM 9045 N N A LEU C 1 337 ? 14.535 -36.050 -28.927 0.80 37.24 ? 336 LEU C N 1 ATOM 9046 N N B LEU C 1 337 ? 12.550 -36.082 -27.618 0.20 13.34 ? 336 LEU C N 1 ATOM 9047 C CA A LEU C 1 337 ? 15.641 -35.804 -29.851 0.80 39.55 ? 336 LEU C CA 1 ATOM 9048 C CA B LEU C 1 337 ? 13.997 -35.869 -27.699 0.20 14.09 ? 336 LEU C CA 1 ATOM 9049 C C A LEU C 1 337 ? 15.562 -34.380 -30.373 0.80 37.22 ? 336 LEU C C 1 ATOM 9050 C C B LEU C 1 337 ? 14.404 -34.852 -28.753 0.20 14.31 ? 336 LEU C C 1 ATOM 9051 O O A LEU C 1 337 ? 16.586 -33.812 -30.779 0.80 36.17 ? 336 LEU C O 1 ATOM 9052 O O B LEU C 1 337 ? 15.591 -34.663 -29.015 0.20 14.57 ? 336 LEU C O 1 ATOM 9053 C CB A LEU C 1 337 ? 15.654 -36.794 -31.034 0.80 42.34 ? 336 LEU C CB 1 ATOM 9054 C CB B LEU C 1 337 ? 14.718 -37.188 -27.972 0.20 14.53 ? 336 LEU C CB 1 ATOM 9055 C CG A LEU C 1 337 ? 16.128 -38.229 -30.728 0.80 44.25 ? 336 LEU C CG 1 ATOM 9056 C CG B LEU C 1 337 ? 14.858 -38.131 -26.776 0.20 14.84 ? 336 LEU C CG 1 ATOM 9057 C CD1 A LEU C 1 337 ? 15.856 -39.157 -31.902 0.80 44.58 ? 336 LEU C CD1 1 ATOM 9058 C CD1 B LEU C 1 337 ? 15.594 -39.404 -27.181 0.20 15.44 ? 336 LEU C CD1 1 ATOM 9059 C CD2 A LEU C 1 337 ? 17.599 -38.257 -30.354 0.80 45.11 ? 336 LEU C CD2 1 ATOM 9060 C CD2 B LEU C 1 337 ? 15.558 -37.442 -25.619 0.20 15.11 ? 336 LEU C CD2 1 ATOM 9061 N N A GLN C 1 338 ? 14.352 -33.809 -30.396 0.80 34.29 ? 337 GLN C N 1 ATOM 9062 N N B GLN C 1 338 ? 13.425 -34.181 -29.345 0.20 14.27 ? 337 GLN C N 1 ATOM 9063 C CA A GLN C 1 338 ? 14.212 -32.446 -30.840 0.80 33.46 ? 337 GLN C CA 1 ATOM 9064 C CA B GLN C 1 338 ? 13.715 -33.232 -30.397 0.20 14.98 ? 337 GLN C CA 1 ATOM 9065 C C A GLN C 1 338 ? 14.943 -31.512 -29.898 0.80 31.30 ? 337 GLN C C 1 ATOM 9066 C C B GLN C 1 338 ? 14.580 -32.068 -29.879 0.20 16.12 ? 337 GLN C C 1 ATOM 9067 O O A GLN C 1 338 ? 15.718 -30.677 -30.353 0.80 31.53 ? 337 GLN C O 1 ATOM 9068 O O B GLN C 1 338 ? 15.252 -31.425 -30.677 0.20 16.05 ? 337 GLN C O 1 ATOM 9069 C CB A GLN C 1 338 ? 12.741 -32.042 -30.992 0.80 35.02 ? 337 GLN C CB 1 ATOM 9070 C CB B GLN C 1 338 ? 12.408 -32.741 -31.047 0.20 14.37 ? 337 GLN C CB 1 ATOM 9071 C CG A GLN C 1 338 ? 12.576 -30.629 -31.528 0.80 36.41 ? 337 GLN C CG 1 ATOM 9072 C CG B GLN C 1 338 ? 12.554 -31.650 -32.099 0.20 14.36 ? 337 GLN C CG 1 ATOM 9073 C CD A GLN C 1 338 ? 12.914 -30.488 -32.997 0.80 39.93 ? 337 GLN C CD 1 ATOM 9074 C CD B GLN C 1 338 ? 13.402 -32.029 -33.306 0.20 14.74 ? 337 GLN C CD 1 ATOM 9075 O OE1 A GLN C 1 338 ? 13.287 -31.449 -33.697 0.80 39.83 ? 337 GLN C OE1 1 ATOM 9076 O OE1 B GLN C 1 338 ? 13.560 -33.202 -33.646 0.20 14.90 ? 337 GLN C OE1 1 ATOM 9077 N NE2 A GLN C 1 338 ? 12.749 -29.261 -33.485 0.80 43.60 ? 337 GLN C NE2 1 ATOM 9078 N NE2 B GLN C 1 338 ? 13.934 -31.010 -33.978 0.20 14.89 ? 337 GLN C NE2 1 ATOM 9079 N N A CYS C 1 339 ? 14.725 -31.617 -28.586 0.80 30.38 ? 338 CYS C N 1 ATOM 9080 N N B CYS C 1 339 ? 14.585 -31.814 -28.559 0.20 17.60 ? 338 CYS C N 1 ATOM 9081 C CA A CYS C 1 339 ? 15.507 -30.759 -27.681 0.80 31.83 ? 338 CYS C CA 1 ATOM 9082 C CA B CYS C 1 339 ? 15.415 -30.721 -27.974 0.20 19.64 ? 338 CYS C CA 1 ATOM 9083 C C A CYS C 1 339 ? 16.971 -31.017 -27.838 0.80 28.23 ? 338 CYS C C 1 ATOM 9084 C C B CYS C 1 339 ? 16.933 -31.007 -27.939 0.20 22.54 ? 338 CYS C C 1 ATOM 9085 O O A CYS C 1 339 ? 17.770 -30.093 -27.768 0.80 28.49 ? 338 CYS C O 1 ATOM 9086 O O B CYS C 1 339 ? 17.732 -30.087 -27.767 0.20 23.13 ? 338 CYS C O 1 ATOM 9087 C CB A CYS C 1 339 ? 15.082 -30.788 -26.201 0.80 34.79 ? 338 CYS C CB 1 ATOM 9088 C CB B CYS C 1 339 ? 14.943 -30.272 -26.571 0.20 19.15 ? 338 CYS C CB 1 ATOM 9089 S SG A CYS C 1 339 ? 14.417 -32.315 -25.627 0.80 40.47 ? 338 CYS C SG 1 ATOM 9090 S SG B CYS C 1 339 ? 13.800 -31.337 -25.697 0.20 17.82 ? 338 CYS C SG 1 ATOM 9091 N N . GLN C 1 340 ? 17.353 -32.263 -28.109 1.00 26.93 ? 339 GLN C N 1 ATOM 9092 C CA . GLN C 1 340 ? 18.769 -32.556 -28.289 1.00 29.43 ? 339 GLN C CA 1 ATOM 9093 C C . GLN C 1 340 ? 19.313 -31.793 -29.515 1.00 29.99 ? 339 GLN C C 1 ATOM 9094 O O . GLN C 1 340 ? 20.438 -31.292 -29.494 1.00 28.83 ? 339 GLN C O 1 ATOM 9095 C CB . GLN C 1 340 ? 19.018 -34.059 -28.413 1.00 34.01 ? 339 GLN C CB 1 ATOM 9096 C CG . GLN C 1 340 ? 20.476 -34.434 -28.570 1.00 39.72 ? 339 GLN C CG 1 ATOM 9097 C CD . GLN C 1 340 ? 20.659 -35.937 -28.712 1.00 46.25 ? 339 GLN C CD 1 ATOM 9098 O OE1 . GLN C 1 340 ? 20.110 -36.560 -29.630 1.00 48.85 ? 339 GLN C OE1 1 ATOM 9099 N NE2 . GLN C 1 340 ? 21.428 -36.530 -27.800 1.00 49.68 ? 339 GLN C NE2 1 ATOM 9100 N N . ALA C 1 341 ? 18.518 -31.722 -30.589 1.00 28.51 ? 340 ALA C N 1 ATOM 9101 C CA . ALA C 1 341 ? 18.960 -31.031 -31.816 1.00 28.51 ? 340 ALA C CA 1 ATOM 9102 C C . ALA C 1 341 ? 19.170 -29.528 -31.588 1.00 27.21 ? 340 ALA C C 1 ATOM 9103 O O . ALA C 1 341 ? 20.049 -28.909 -32.185 1.00 27.38 ? 340 ALA C O 1 ATOM 9104 C CB . ALA C 1 341 ? 17.952 -31.263 -32.915 1.00 30.10 ? 340 ALA C CB 1 ATOM 9105 N N . TRP C 1 342 ? 18.419 -28.960 -30.653 1.00 24.11 ? 341 TRP C N 1 ATOM 9106 C CA . TRP C 1 342 ? 18.570 -27.545 -30.336 1.00 23.36 ? 341 TRP C CA 1 ATOM 9107 C C . TRP C 1 342 ? 19.875 -27.179 -29.639 1.00 24.29 ? 341 TRP C C 1 ATOM 9108 O O . TRP C 1 342 ? 20.300 -26.034 -29.697 1.00 23.59 ? 341 TRP C O 1 ATOM 9109 C CB . TRP C 1 342 ? 17.384 -27.069 -29.505 1.00 22.99 ? 341 TRP C CB 1 ATOM 9110 C CG . TRP C 1 342 ? 16.087 -27.052 -30.252 1.00 22.10 ? 341 TRP C CG 1 ATOM 9111 C CD1 . TRP C 1 342 ? 15.892 -26.899 -31.611 1.00 22.13 ? 341 TRP C CD1 1 ATOM 9112 C CD2 . TRP C 1 342 ? 14.786 -27.167 -29.672 1.00 21.27 ? 341 TRP C CD2 1 ATOM 9113 N NE1 . TRP C 1 342 ? 14.537 -26.903 -31.889 1.00 21.48 ? 341 TRP C NE1 1 ATOM 9114 C CE2 . TRP C 1 342 ? 13.846 -27.083 -30.718 1.00 21.09 ? 341 TRP C CE2 1 ATOM 9115 C CE3 . TRP C 1 342 ? 14.328 -27.355 -28.368 1.00 21.73 ? 341 TRP C CE3 1 ATOM 9116 C CZ2 . TRP C 1 342 ? 12.482 -27.170 -30.487 1.00 21.15 ? 341 TRP C CZ2 1 ATOM 9117 C CZ3 . TRP C 1 342 ? 12.970 -27.432 -28.144 1.00 21.33 ? 341 TRP C CZ3 1 ATOM 9118 C CH2 . TRP C 1 342 ? 12.071 -27.347 -29.192 1.00 20.84 ? 341 TRP C CH2 1 ATOM 9119 N N . GLN C 1 343 ? 20.499 -28.133 -28.957 1.00 24.72 ? 342 GLN C N 1 ATOM 9120 C CA . GLN C 1 343 ? 21.734 -27.868 -28.231 1.00 26.33 ? 342 GLN C CA 1 ATOM 9121 C C . GLN C 1 343 ? 22.792 -27.169 -29.092 1.00 27.30 ? 342 GLN C C 1 ATOM 9122 O O . GLN C 1 343 ? 23.491 -26.282 -28.617 1.00 27.52 ? 342 GLN C O 1 ATOM 9123 C CB . GLN C 1 343 ? 22.331 -29.178 -27.675 1.00 27.61 ? 342 GLN C CB 1 ATOM 9124 C CG . GLN C 1 343 ? 21.491 -29.797 -26.570 1.00 28.18 ? 342 GLN C CG 1 ATOM 9125 C CD . GLN C 1 343 ? 22.011 -31.081 -25.967 1.00 29.79 ? 342 GLN C CD 1 ATOM 9126 O OE1 . GLN C 1 343 ? 22.635 -31.893 -26.618 1.00 29.61 ? 342 GLN C OE1 1 ATOM 9127 N NE2 . GLN C 1 343 ? 21.733 -31.251 -24.686 1.00 32.05 ? 342 GLN C NE2 1 ATOM 9128 N N . SER C 1 344 ? 22.927 -27.586 -30.341 1.00 27.90 ? 343 SER C N 1 ATOM 9129 C CA . SER C 1 344 ? 23.975 -27.020 -31.186 1.00 30.04 ? 343 SER C CA 1 ATOM 9130 C C . SER C 1 344 ? 23.492 -25.788 -31.961 1.00 30.26 ? 343 SER C C 1 ATOM 9131 O O . SER C 1 344 ? 24.278 -25.167 -32.657 1.00 30.07 ? 343 SER C O 1 ATOM 9132 C CB . SER C 1 344 ? 24.525 -28.084 -32.140 1.00 30.95 ? 343 SER C CB 1 ATOM 9133 O OG . SER C 1 344 ? 23.543 -28.482 -33.073 1.00 31.68 ? 343 SER C OG 1 ATOM 9134 N N . ARG C 1 345 ? 22.205 -25.455 -31.855 1.00 28.47 ? 344 ARG C N 1 ATOM 9135 C CA . ARG C 1 345 ? 21.626 -24.368 -32.645 1.00 29.72 ? 344 ARG C CA 1 ATOM 9136 C C . ARG C 1 345 ? 21.368 -23.088 -31.853 1.00 29.23 ? 344 ARG C C 1 ATOM 9137 O O . ARG C 1 345 ? 20.946 -22.094 -32.428 1.00 29.26 ? 344 ARG C O 1 ATOM 9138 C CB . ARG C 1 345 ? 20.306 -24.829 -33.272 1.00 31.19 ? 344 ARG C CB 1 ATOM 9139 C CG . ARG C 1 345 ? 20.482 -25.882 -34.361 1.00 33.14 ? 344 ARG C CG 1 ATOM 9140 C CD . ARG C 1 345 ? 19.125 -26.359 -34.853 1.00 34.49 ? 344 ARG C CD 1 ATOM 9141 N NE . ARG C 1 345 ? 19.240 -27.631 -35.563 1.00 38.85 ? 344 ARG C NE 1 ATOM 9142 C CZ . ARG C 1 345 ? 18.275 -28.552 -35.654 1.00 42.61 ? 344 ARG C CZ 1 ATOM 9143 N NH1 . ARG C 1 345 ? 17.069 -28.367 -35.089 1.00 43.50 ? 344 ARG C NH1 1 ATOM 9144 N NH2 . ARG C 1 345 ? 18.514 -29.671 -36.331 1.00 43.99 ? 344 ARG C NH2 1 ATOM 9145 N N . GLN C 1 346 ? 21.576 -23.107 -30.543 1.00 28.29 ? 345 GLN C N 1 ATOM 9146 C CA . GLN C 1 346 ? 21.421 -21.903 -29.750 1.00 27.76 ? 345 GLN C CA 1 ATOM 9147 C C . GLN C 1 346 ? 22.560 -21.834 -28.771 1.00 28.84 ? 345 GLN C C 1 ATOM 9148 O O . GLN C 1 346 ? 23.160 -22.860 -28.436 1.00 28.57 ? 345 GLN C O 1 ATOM 9149 C CB . GLN C 1 346 ? 20.046 -21.848 -29.050 1.00 26.02 ? 345 GLN C CB 1 ATOM 9150 C CG . GLN C 1 346 ? 19.764 -22.953 -28.046 1.00 24.62 ? 345 GLN C CG 1 ATOM 9151 C CD . GLN C 1 346 ? 18.548 -22.662 -27.187 1.00 23.68 ? 345 GLN C CD 1 ATOM 9152 O OE1 . GLN C 1 346 ? 17.463 -22.407 -27.697 1.00 22.66 ? 345 GLN C OE1 1 ATOM 9153 N NE2 . GLN C 1 346 ? 18.711 -22.762 -25.881 1.00 23.70 ? 345 GLN C NE2 1 ATOM 9154 N N . GLU C 1 347 ? 22.878 -20.615 -28.350 1.00 29.66 ? 346 GLU C N 1 ATOM 9155 C CA . GLU C 1 347 ? 23.921 -20.360 -27.364 1.00 32.33 ? 346 GLU C CA 1 ATOM 9156 C C . GLU C 1 347 ? 23.479 -20.654 -25.930 1.00 29.20 ? 346 GLU C C 1 ATOM 9157 O O . GLU C 1 347 ? 24.259 -21.130 -25.109 1.00 27.63 ? 346 GLU C O 1 ATOM 9158 C CB . GLU C 1 347 ? 24.368 -18.889 -27.502 1.00 37.29 ? 346 GLU C CB 1 ATOM 9159 C CG . GLU C 1 347 ? 25.342 -18.349 -26.471 1.00 46.38 ? 346 GLU C CG 1 ATOM 9160 C CD . GLU C 1 347 ? 25.948 -16.998 -26.871 1.00 56.38 ? 346 GLU C CD 1 ATOM 9161 O OE1 . GLU C 1 347 ? 25.982 -16.664 -28.090 1.00 64.27 ? 346 GLU C OE1 1 ATOM 9162 O OE2 . GLU C 1 347 ? 26.408 -16.266 -25.958 1.00 64.38 ? 346 GLU C OE2 1 ATOM 9163 N N . HIS C 1 348 ? 22.226 -20.353 -25.608 1.00 25.94 ? 347 HIS C N 1 ATOM 9164 C CA A HIS C 1 348 ? 21.700 -20.679 -24.286 0.70 25.54 ? 347 HIS C CA 1 ATOM 9165 C CA B HIS C 1 348 ? 21.701 -20.692 -24.289 0.30 25.25 ? 347 HIS C CA 1 ATOM 9166 C C . HIS C 1 348 ? 21.706 -22.198 -24.064 1.00 24.77 ? 347 HIS C C 1 ATOM 9167 O O . HIS C 1 348 ? 21.511 -22.968 -24.999 1.00 23.54 ? 347 HIS C O 1 ATOM 9168 C CB A HIS C 1 348 ? 20.264 -20.165 -24.126 0.70 25.61 ? 347 HIS C CB 1 ATOM 9169 C CB B HIS C 1 348 ? 20.294 -20.127 -24.104 0.30 24.57 ? 347 HIS C CB 1 ATOM 9170 C CG A HIS C 1 348 ? 20.174 -18.696 -23.921 0.70 26.54 ? 347 HIS C CG 1 ATOM 9171 C CG B HIS C 1 348 ? 20.311 -18.679 -23.724 0.30 24.82 ? 347 HIS C CG 1 ATOM 9172 N ND1 A HIS C 1 348 ? 20.287 -17.806 -24.963 0.70 28.46 ? 347 HIS C ND1 1 ATOM 9173 N ND1 B HIS C 1 348 ? 20.627 -18.256 -22.449 0.30 25.29 ? 347 HIS C ND1 1 ATOM 9174 C CD2 A HIS C 1 348 ? 19.983 -17.954 -22.808 0.70 28.02 ? 347 HIS C CD2 1 ATOM 9175 C CD2 B HIS C 1 348 ? 20.147 -17.556 -24.462 0.30 25.42 ? 347 HIS C CD2 1 ATOM 9176 C CE1 A HIS C 1 348 ? 20.172 -16.574 -24.502 0.70 28.73 ? 347 HIS C CE1 1 ATOM 9177 C CE1 B HIS C 1 348 ? 20.610 -16.935 -22.407 0.30 25.42 ? 347 HIS C CE1 1 ATOM 9178 N NE2 A HIS C 1 348 ? 19.975 -16.637 -23.196 0.70 28.80 ? 347 HIS C NE2 1 ATOM 9179 N NE2 B HIS C 1 348 ? 20.321 -16.485 -23.615 0.30 25.76 ? 347 HIS C NE2 1 ATOM 9180 N N . GLN C 1 349 ? 21.912 -22.605 -22.820 1.00 24.86 ? 348 GLN C N 1 ATOM 9181 C CA . GLN C 1 349 ? 21.993 -24.024 -22.485 1.00 25.90 ? 348 GLN C CA 1 ATOM 9182 C C . GLN C 1 349 ? 20.675 -24.745 -22.720 1.00 24.06 ? 348 GLN C C 1 ATOM 9183 O O . GLN C 1 349 ? 19.592 -24.171 -22.470 1.00 21.75 ? 348 GLN C O 1 ATOM 9184 C CB . GLN C 1 349 ? 22.359 -24.222 -21.028 1.00 28.91 ? 348 GLN C CB 1 ATOM 9185 C CG . GLN C 1 349 ? 23.687 -23.665 -20.586 1.00 35.25 ? 348 GLN C CG 1 ATOM 9186 C CD . GLN C 1 349 ? 23.875 -23.918 -19.102 1.00 39.78 ? 348 GLN C CD 1 ATOM 9187 O OE1 . GLN C 1 349 ? 24.003 -25.068 -18.675 1.00 45.59 ? 348 GLN C OE1 1 ATOM 9188 N NE2 . GLN C 1 349 ? 23.831 -22.861 -18.307 1.00 43.34 ? 348 GLN C NE2 1 ATOM 9189 N N . VAL C 1 350 ? 20.774 -25.997 -23.155 1.00 22.77 ? 349 VAL C N 1 ATOM 9190 C CA . VAL C 1 350 ? 19.652 -26.921 -23.224 1.00 22.61 ? 349 VAL C CA 1 ATOM 9191 C C . VAL C 1 350 ? 19.989 -28.117 -22.338 1.00 24.70 ? 349 VAL C C 1 ATOM 9192 O O . VAL C 1 350 ? 21.023 -28.774 -22.561 1.00 26.21 ? 349 VAL C O 1 ATOM 9193 C CB . VAL C 1 350 ? 19.396 -27.401 -24.651 1.00 22.55 ? 349 VAL C CB 1 ATOM 9194 C CG1 . VAL C 1 350 ? 18.275 -28.437 -24.676 1.00 21.65 ? 349 VAL C CG1 1 ATOM 9195 C CG2 . VAL C 1 350 ? 19.107 -26.234 -25.591 1.00 21.70 ? 349 VAL C CG2 1 ATOM 9196 N N . LEU C 1 351 ? 19.245 -28.295 -21.244 1.00 23.65 ? 350 LEU C N 1 ATOM 9197 C CA . LEU C 1 351 ? 19.511 -29.374 -20.290 1.00 24.95 ? 350 LEU C CA 1 ATOM 9198 C C . LEU C 1 351 ? 18.439 -30.424 -20.501 1.00 25.48 ? 350 LEU C C 1 ATOM 9199 O O . LEU C 1 351 ? 17.248 -30.096 -20.472 1.00 24.07 ? 350 LEU C O 1 ATOM 9200 C CB . LEU C 1 351 ? 19.466 -28.881 -18.844 1.00 26.30 ? 350 LEU C CB 1 ATOM 9201 C CG . LEU C 1 351 ? 20.420 -27.730 -18.467 1.00 28.48 ? 350 LEU C CG 1 ATOM 9202 C CD1 . LEU C 1 351 ? 19.808 -26.380 -18.805 1.00 29.23 ? 350 LEU C CD1 1 ATOM 9203 C CD2 . LEU C 1 351 ? 20.801 -27.725 -16.993 1.00 30.74 ? 350 LEU C CD2 1 ATOM 9204 N N . LEU C 1 352 ? 18.850 -31.655 -20.740 1.00 25.44 ? 351 LEU C N 1 ATOM 9205 C CA . LEU C 1 352 ? 17.916 -32.757 -20.884 1.00 27.13 ? 351 LEU C CA 1 ATOM 9206 C C . LEU C 1 352 ? 17.807 -33.501 -19.574 1.00 26.87 ? 351 LEU C C 1 ATOM 9207 O O . LEU C 1 352 ? 18.825 -33.759 -18.931 1.00 28.69 ? 351 LEU C O 1 ATOM 9208 C CB . LEU C 1 352 ? 18.350 -33.684 -22.011 1.00 29.51 ? 351 LEU C CB 1 ATOM 9209 C CG . LEU C 1 352 ? 17.643 -33.362 -23.337 1.00 31.82 ? 351 LEU C CG 1 ATOM 9210 C CD1 . LEU C 1 352 ? 18.159 -32.069 -23.932 1.00 33.62 ? 351 LEU C CD1 1 ATOM 9211 C CD2 . LEU C 1 352 ? 17.834 -34.508 -24.314 1.00 35.23 ? 351 LEU C CD2 1 ATOM 9212 N N . GLN C 1 353 ? 16.593 -33.786 -19.122 1.00 23.30 ? 352 GLN C N 1 ATOM 9213 C CA . GLN C 1 353 ? 16.410 -34.552 -17.898 1.00 24.12 ? 352 GLN C CA 1 ATOM 9214 C C . GLN C 1 353 ? 15.412 -35.671 -18.113 1.00 23.09 ? 352 GLN C C 1 ATOM 9215 O O . GLN C 1 353 ? 14.199 -35.431 -18.208 1.00 21.24 ? 352 GLN C O 1 ATOM 9216 C CB . GLN C 1 353 ? 15.959 -33.664 -16.729 1.00 25.15 ? 352 GLN C CB 1 ATOM 9217 C CG . GLN C 1 353 ? 15.713 -34.432 -15.427 1.00 27.08 ? 352 GLN C CG 1 ATOM 9218 C CD . GLN C 1 353 ? 16.979 -35.062 -14.903 1.00 28.91 ? 352 GLN C CD 1 ATOM 9219 O OE1 . GLN C 1 353 ? 17.908 -34.357 -14.548 1.00 32.43 ? 352 GLN C OE1 1 ATOM 9220 N NE2 . GLN C 1 353 ? 17.042 -36.387 -14.885 1.00 29.93 ? 352 GLN C NE2 1 ATOM 9221 N N . GLU C 1 354 ? 15.925 -36.888 -18.144 1.00 22.77 ? 353 GLU C N 1 ATOM 9222 C CA . GLU C 1 354 ? 15.102 -38.065 -18.182 1.00 23.96 ? 353 GLU C CA 1 ATOM 9223 C C . GLU C 1 354 ? 14.386 -38.305 -16.834 1.00 23.84 ? 353 GLU C C 1 ATOM 9224 O O . GLU C 1 354 ? 14.977 -38.130 -15.768 1.00 23.67 ? 353 GLU C O 1 ATOM 9225 C CB . GLU C 1 354 ? 15.954 -39.296 -18.542 1.00 26.02 ? 353 GLU C CB 1 ATOM 9226 C CG . GLU C 1 354 ? 15.112 -40.502 -18.899 1.00 27.90 ? 353 GLU C CG 1 ATOM 9227 C CD . GLU C 1 354 ? 15.926 -41.773 -19.072 1.00 31.76 ? 353 GLU C CD 1 ATOM 9228 O OE1 . GLU C 1 354 ? 17.162 -41.702 -19.002 1.00 35.58 ? 353 GLU C OE1 1 ATOM 9229 O OE2 . GLU C 1 354 ? 15.315 -42.847 -19.238 1.00 32.24 ? 353 GLU C OE2 1 ATOM 9230 N N . LEU C 1 355 ? 13.116 -38.697 -16.913 1.00 22.75 ? 354 LEU C N 1 ATOM 9231 C CA . LEU C 1 355 ? 12.296 -39.064 -15.754 1.00 23.51 ? 354 LEU C CA 1 ATOM 9232 C C . LEU C 1 355 ? 11.818 -40.508 -15.922 1.00 23.83 ? 354 LEU C C 1 ATOM 9233 O O . LEU C 1 355 ? 10.716 -40.741 -16.438 1.00 22.49 ? 354 LEU C O 1 ATOM 9234 C CB . LEU C 1 355 ? 11.096 -38.130 -15.619 1.00 23.40 ? 354 LEU C CB 1 ATOM 9235 C CG . LEU C 1 355 ? 11.445 -36.624 -15.551 1.00 24.36 ? 354 LEU C CG 1 ATOM 9236 C CD1 . LEU C 1 355 ? 10.176 -35.786 -15.642 1.00 24.48 ? 354 LEU C CD1 1 ATOM 9237 C CD2 . LEU C 1 355 ? 12.237 -36.303 -14.294 1.00 25.59 ? 354 LEU C CD2 1 ATOM 9238 N N . PRO C 1 356 ? 12.659 -41.478 -15.531 1.00 25.29 ? 355 PRO C N 1 ATOM 9239 C CA . PRO C 1 356 ? 12.290 -42.873 -15.805 1.00 26.27 ? 355 PRO C CA 1 ATOM 9240 C C . PRO C 1 356 ? 11.115 -43.281 -14.935 1.00 26.10 ? 355 PRO C C 1 ATOM 9241 O O . PRO C 1 356 ? 11.105 -43.013 -13.743 1.00 26.26 ? 355 PRO C O 1 ATOM 9242 C CB . PRO C 1 356 ? 13.551 -43.682 -15.464 1.00 27.85 ? 355 PRO C CB 1 ATOM 9243 C CG . PRO C 1 356 ? 14.590 -42.712 -15.068 1.00 28.30 ? 355 PRO C CG 1 ATOM 9244 C CD . PRO C 1 356 ? 13.971 -41.362 -14.873 1.00 27.09 ? 355 PRO C CD 1 ATOM 9245 N N . GLY C 1 357 ? 10.109 -43.862 -15.571 1.00 26.09 ? 356 GLY C N 1 ATOM 9246 C CA . GLY C 1 357 ? 8.907 -44.316 -14.893 1.00 26.73 ? 356 GLY C CA 1 ATOM 9247 C C . GLY C 1 357 ? 7.894 -43.220 -14.635 1.00 26.40 ? 356 GLY C C 1 ATOM 9248 O O . GLY C 1 357 ? 6.945 -43.437 -13.897 1.00 28.56 ? 356 GLY C O 1 ATOM 9249 N N . SER C 1 358 ? 8.076 -42.038 -15.221 1.00 24.79 ? 357 SER C N 1 ATOM 9250 C CA . SER C 1 358 ? 7.158 -40.925 -14.959 1.00 24.40 ? 357 SER C CA 1 ATOM 9251 C C . SER C 1 358 ? 6.115 -40.788 -16.080 1.00 23.07 ? 357 SER C C 1 ATOM 9252 O O . SER C 1 358 ? 6.447 -40.485 -17.209 1.00 23.15 ? 357 SER C O 1 ATOM 9253 C CB . SER C 1 358 ? 7.948 -39.634 -14.783 1.00 24.64 ? 357 SER C CB 1 ATOM 9254 O OG . SER C 1 358 ? 7.130 -38.570 -14.358 1.00 26.45 ? 357 SER C OG 1 ATOM 9255 N N . GLU C 1 359 ? 4.859 -41.027 -15.743 1.00 22.51 ? 358 GLU C N 1 ATOM 9256 C CA . GLU C 1 359 ? 3.773 -40.959 -16.704 1.00 22.52 ? 358 GLU C CA 1 ATOM 9257 C C . GLU C 1 359 ? 3.394 -39.496 -17.028 1.00 21.04 ? 358 GLU C C 1 ATOM 9258 O O . GLU C 1 359 ? 3.571 -38.579 -16.212 1.00 20.10 ? 358 GLU C O 1 ATOM 9259 C CB . GLU C 1 359 ? 2.578 -41.783 -16.199 1.00 24.35 ? 358 GLU C CB 1 ATOM 9260 C CG . GLU C 1 359 ? 1.410 -41.929 -17.161 1.00 26.29 ? 358 GLU C CG 1 ATOM 9261 C CD . GLU C 1 359 ? 0.438 -40.755 -17.108 1.00 28.03 ? 358 GLU C CD 1 ATOM 9262 O OE1 . GLU C 1 359 ? 0.329 -40.106 -16.034 1.00 29.32 ? 358 GLU C OE1 1 ATOM 9263 O OE2 . GLU C 1 359 ? -0.222 -40.473 -18.142 1.00 29.43 ? 358 GLU C OE2 1 ATOM 9264 N N . HIS C 1 360 ? 2.863 -39.319 -18.231 1.00 19.79 ? 359 HIS C N 1 ATOM 9265 C CA . HIS C 1 360 ? 2.597 -38.009 -18.807 1.00 19.25 ? 359 HIS C CA 1 ATOM 9266 C C . HIS C 1 360 ? 1.897 -36.995 -17.880 1.00 19.94 ? 359 HIS C C 1 ATOM 9267 O O . HIS C 1 360 ? 2.316 -35.849 -17.796 1.00 19.58 ? 359 HIS C O 1 ATOM 9268 C CB . HIS C 1 360 ? 1.764 -38.181 -20.073 1.00 18.83 ? 359 HIS C CB 1 ATOM 9269 C CG . HIS C 1 360 ? 1.621 -36.922 -20.870 1.00 18.59 ? 359 HIS C CG 1 ATOM 9270 N ND1 . HIS C 1 360 ? 2.699 -36.303 -21.466 1.00 18.41 ? 359 HIS C ND1 1 ATOM 9271 C CD2 . HIS C 1 360 ? 0.536 -36.172 -21.180 1.00 18.38 ? 359 HIS C CD2 1 ATOM 9272 C CE1 . HIS C 1 360 ? 2.289 -35.226 -22.113 1.00 18.01 ? 359 HIS C CE1 1 ATOM 9273 N NE2 . HIS C 1 360 ? 0.978 -35.129 -21.968 1.00 18.52 ? 359 HIS C NE2 1 ATOM 9274 N N . ILE C 1 361 ? 0.809 -37.400 -17.258 1.00 20.89 ? 360 ILE C N 1 ATOM 9275 C CA . ILE C 1 361 ? 0.066 -36.516 -16.366 1.00 23.35 ? 360 ILE C CA 1 ATOM 9276 C C . ILE C 1 361 ? 0.627 -36.547 -14.949 1.00 24.03 ? 360 ILE C C 1 ATOM 9277 O O . ILE C 1 361 ? 0.742 -35.508 -14.303 1.00 23.55 ? 360 ILE C O 1 ATOM 9278 C CB . ILE C 1 361 ? -1.420 -36.896 -16.332 1.00 26.15 ? 360 ILE C CB 1 ATOM 9279 C CG1 . ILE C 1 361 ? -2.032 -36.707 -17.710 1.00 28.65 ? 360 ILE C CG1 1 ATOM 9280 C CG2 . ILE C 1 361 ? -2.141 -36.020 -15.317 1.00 28.33 ? 360 ILE C CG2 1 ATOM 9281 C CD1 . ILE C 1 361 ? -3.438 -37.263 -17.827 1.00 32.43 ? 360 ILE C CD1 1 ATOM 9282 N N . GLU C 1 362 ? 1.010 -37.731 -14.482 1.00 24.71 ? 361 GLU C N 1 ATOM 9283 C CA . GLU C 1 362 ? 1.513 -37.872 -13.110 1.00 27.51 ? 361 GLU C CA 1 ATOM 9284 C C . GLU C 1 362 ? 2.777 -37.067 -12.880 1.00 25.51 ? 361 GLU C C 1 ATOM 9285 O O . GLU C 1 362 ? 3.044 -36.652 -11.754 1.00 24.57 ? 361 GLU C O 1 ATOM 9286 C CB . GLU C 1 362 ? 1.741 -39.337 -12.759 1.00 30.87 ? 361 GLU C CB 1 ATOM 9287 C CG . GLU C 1 362 ? 0.433 -40.100 -12.649 1.00 36.83 ? 361 GLU C CG 1 ATOM 9288 C CD . GLU C 1 362 ? 0.603 -41.594 -12.438 1.00 42.25 ? 361 GLU C CD 1 ATOM 9289 O OE1 . GLU C 1 362 ? 1.741 -42.070 -12.234 1.00 48.50 ? 361 GLU C OE1 1 ATOM 9290 O OE2 . GLU C 1 362 ? -0.423 -42.302 -12.481 1.00 48.90 ? 361 GLU C OE2 1 ATOM 9291 N N . MET C 1 363 ? 3.521 -36.772 -13.946 1.00 24.57 ? 362 MET C N 1 ATOM 9292 C CA . MET C 1 363 ? 4.760 -35.984 -13.778 1.00 24.47 ? 362 MET C CA 1 ATOM 9293 C C . MET C 1 363 ? 4.521 -34.604 -13.154 1.00 23.59 ? 362 MET C C 1 ATOM 9294 O O . MET C 1 363 ? 5.411 -34.074 -12.511 1.00 21.64 ? 362 MET C O 1 ATOM 9295 C CB . MET C 1 363 ? 5.552 -35.857 -15.085 1.00 26.69 ? 362 MET C CB 1 ATOM 9296 C CG . MET C 1 363 ? 5.062 -34.892 -16.141 1.00 28.67 ? 362 MET C CG 1 ATOM 9297 S SD . MET C 1 363 ? 6.350 -34.633 -17.421 1.00 32.41 ? 362 MET C SD 1 ATOM 9298 C CE . MET C 1 363 ? 6.556 -36.299 -18.092 1.00 31.66 ? 362 MET C CE 1 ATOM 9299 N N . LEU C 1 364 ? 3.318 -34.056 -13.317 1.00 22.63 ? 363 LEU C N 1 ATOM 9300 C CA . LEU C 1 364 ? 2.970 -32.752 -12.756 1.00 24.03 ? 363 LEU C CA 1 ATOM 9301 C C . LEU C 1 364 ? 2.817 -32.700 -11.241 1.00 24.55 ? 363 LEU C C 1 ATOM 9302 O O . LEU C 1 364 ? 2.870 -31.604 -10.678 1.00 26.69 ? 363 LEU C O 1 ATOM 9303 C CB . LEU C 1 364 ? 1.671 -32.227 -13.376 1.00 26.05 ? 363 LEU C CB 1 ATOM 9304 C CG . LEU C 1 364 ? 1.737 -31.564 -14.746 1.00 26.75 ? 363 LEU C CG 1 ATOM 9305 C CD1 . LEU C 1 364 ? 0.359 -30.972 -15.038 1.00 29.51 ? 363 LEU C CD1 1 ATOM 9306 C CD2 . LEU C 1 364 ? 2.761 -30.442 -14.811 1.00 26.54 ? 363 LEU C CD2 1 ATOM 9307 N N . ALA C 1 365 ? 2.605 -33.851 -10.610 1.00 23.15 ? 364 ALA C N 1 ATOM 9308 C CA . ALA C 1 365 ? 2.431 -33.960 -9.182 1.00 26.07 ? 364 ALA C CA 1 ATOM 9309 C C . ALA C 1 365 ? 3.529 -34.802 -8.558 1.00 26.97 ? 364 ALA C C 1 ATOM 9310 O O . ALA C 1 365 ? 3.468 -35.134 -7.391 1.00 29.69 ? 364 ALA C O 1 ATOM 9311 C CB . ALA C 1 365 ? 1.068 -34.543 -8.857 1.00 26.15 ? 364 ALA C CB 1 ATOM 9312 N N . ASN C 1 366 ? 4.561 -35.105 -9.323 1.00 25.64 ? 365 ASN C N 1 ATOM 9313 C CA . ASN C 1 366 ? 5.607 -36.017 -8.886 1.00 25.75 ? 365 ASN C CA 1 ATOM 9314 C C . ASN C 1 366 ? 6.704 -35.249 -8.145 1.00 25.25 ? 365 ASN C C 1 ATOM 9315 O O . ASN C 1 366 ? 7.158 -34.204 -8.609 1.00 23.59 ? 365 ASN C O 1 ATOM 9316 C CB . ASN C 1 366 ? 6.132 -36.750 -10.131 1.00 26.45 ? 365 ASN C CB 1 ATOM 9317 C CG . ASN C 1 366 ? 7.247 -37.724 -9.835 1.00 29.16 ? 365 ASN C CG 1 ATOM 9318 O OD1 . ASN C 1 366 ? 8.279 -37.357 -9.273 1.00 31.37 ? 365 ASN C OD1 1 ATOM 9319 N ND2 . ASN C 1 366 ? 7.051 -38.985 -10.225 1.00 29.02 ? 365 ASN C ND2 1 ATOM 9320 N N . ALA C 1 367 ? 7.102 -35.773 -6.987 1.00 24.92 ? 366 ALA C N 1 ATOM 9321 C CA . ALA C 1 367 ? 8.063 -35.118 -6.098 1.00 25.77 ? 366 ALA C CA 1 ATOM 9322 C C . ALA C 1 367 ? 9.418 -34.863 -6.744 1.00 25.02 ? 366 ALA C C 1 ATOM 9323 O O . ALA C 1 367 ? 10.051 -33.848 -6.466 1.00 24.82 ? 366 ALA C O 1 ATOM 9324 C CB . ALA C 1 367 ? 8.245 -35.927 -4.826 1.00 27.30 ? 366 ALA C CB 1 ATOM 9325 N N . THR C 1 368 ? 9.852 -35.753 -7.629 1.00 25.20 ? 367 THR C N 1 ATOM 9326 C CA . THR C 1 368 ? 11.088 -35.533 -8.382 1.00 25.83 ? 367 THR C CA 1 ATOM 9327 C C . THR C 1 368 ? 10.983 -34.367 -9.368 1.00 23.76 ? 367 THR C C 1 ATOM 9328 O O . THR C 1 368 ? 11.912 -33.573 -9.506 1.00 23.23 ? 367 THR C O 1 ATOM 9329 C CB . THR C 1 368 ? 11.498 -36.824 -9.110 1.00 28.49 ? 367 THR C CB 1 ATOM 9330 O OG1 . THR C 1 368 ? 11.637 -37.854 -8.118 1.00 29.82 ? 367 THR C OG1 1 ATOM 9331 C CG2 . THR C 1 368 ? 12.813 -36.665 -9.878 1.00 29.65 ? 367 THR C CG2 1 ATOM 9332 N N . THR C 1 369 ? 9.851 -34.246 -10.043 1.00 22.44 ? 368 THR C N 1 ATOM 9333 C CA . THR C 1 369 ? 9.617 -33.114 -10.933 1.00 21.79 ? 368 THR C CA 1 ATOM 9334 C C . THR C 1 369 ? 9.652 -31.813 -10.150 1.00 21.37 ? 368 THR C C 1 ATOM 9335 O O . THR C 1 369 ? 10.255 -30.825 -10.575 1.00 20.39 ? 368 THR C O 1 ATOM 9336 C CB . THR C 1 369 ? 8.247 -33.196 -11.632 1.00 21.57 ? 368 THR C CB 1 ATOM 9337 O OG1 . THR C 1 369 ? 8.120 -34.442 -12.326 1.00 21.87 ? 368 THR C OG1 1 ATOM 9338 C CG2 . THR C 1 369 ? 8.064 -32.053 -12.616 1.00 21.23 ? 368 THR C CG2 1 ATOM 9339 N N . LEU C 1 370 ? 8.967 -31.818 -9.011 1.00 21.57 ? 369 LEU C N 1 ATOM 9340 C CA . LEU C 1 370 ? 8.839 -30.615 -8.195 1.00 21.79 ? 369 LEU C CA 1 ATOM 9341 C C . LEU C 1 370 ? 10.200 -30.244 -7.569 1.00 21.84 ? 369 LEU C C 1 ATOM 9342 O O . LEU C 1 370 ? 10.521 -29.065 -7.475 1.00 22.01 ? 369 LEU C O 1 ATOM 9343 C CB . LEU C 1 370 ? 7.761 -30.807 -7.132 1.00 22.80 ? 369 LEU C CB 1 ATOM 9344 C CG . LEU C 1 370 ? 6.369 -31.029 -7.717 1.00 23.40 ? 369 LEU C CG 1 ATOM 9345 C CD1 . LEU C 1 370 ? 5.361 -31.436 -6.644 1.00 24.79 ? 369 LEU C CD1 1 ATOM 9346 C CD2 . LEU C 1 370 ? 5.899 -29.797 -8.454 1.00 24.08 ? 369 LEU C CD2 1 ATOM 9347 N N . ALA C 1 371 ? 11.004 -31.239 -7.189 1.00 22.30 ? 370 ALA C N 1 ATOM 9348 C CA . ALA C 1 371 ? 12.353 -30.983 -6.687 1.00 22.65 ? 370 ALA C CA 1 ATOM 9349 C C . ALA C 1 371 ? 13.216 -30.337 -7.766 1.00 22.34 ? 370 ALA C C 1 ATOM 9350 O O . ALA C 1 371 ? 14.031 -29.480 -7.457 1.00 22.50 ? 370 ALA C O 1 ATOM 9351 C CB . ALA C 1 371 ? 13.009 -32.277 -6.171 1.00 23.99 ? 370 ALA C CB 1 ATOM 9352 N N . TYR C 1 372 ? 13.063 -30.771 -9.020 1.00 21.67 ? 371 TYR C N 1 ATOM 9353 C CA . TYR C 1 372 ? 13.827 -30.194 -10.137 1.00 21.66 ? 371 TYR C CA 1 ATOM 9354 C C . TYR C 1 372 ? 13.423 -28.719 -10.326 1.00 21.00 ? 371 TYR C C 1 ATOM 9355 O O . TYR C 1 372 ? 14.267 -27.828 -10.418 1.00 20.71 ? 371 TYR C O 1 ATOM 9356 C CB . TYR C 1 372 ? 13.626 -30.977 -11.429 1.00 21.55 ? 371 TYR C CB 1 ATOM 9357 C CG . TYR C 1 372 ? 14.557 -30.547 -12.540 1.00 22.74 ? 371 TYR C CG 1 ATOM 9358 C CD1 . TYR C 1 372 ? 14.311 -29.396 -13.288 1.00 22.00 ? 371 TYR C CD1 1 ATOM 9359 C CD2 . TYR C 1 372 ? 15.715 -31.283 -12.835 1.00 24.07 ? 371 TYR C CD2 1 ATOM 9360 C CE1 . TYR C 1 372 ? 15.183 -28.997 -14.291 1.00 23.05 ? 371 TYR C CE1 1 ATOM 9361 C CE2 . TYR C 1 372 ? 16.567 -30.898 -13.861 1.00 24.68 ? 371 TYR C CE2 1 ATOM 9362 C CZ . TYR C 1 372 ? 16.310 -29.745 -14.575 1.00 23.77 ? 371 TYR C CZ 1 ATOM 9363 O OH . TYR C 1 372 ? 17.188 -29.344 -15.584 1.00 24.97 ? 371 TYR C OH 1 ATOM 9364 N N . LEU C 1 373 ? 12.133 -28.470 -10.359 1.00 19.80 ? 372 LEU C N 1 ATOM 9365 C CA . LEU C 1 373 ? 11.638 -27.110 -10.481 1.00 20.15 ? 372 LEU C CA 1 ATOM 9366 C C . LEU C 1 373 ? 12.117 -26.210 -9.321 1.00 20.53 ? 372 LEU C C 1 ATOM 9367 O O . LEU C 1 373 ? 12.511 -25.065 -9.536 1.00 20.13 ? 372 LEU C O 1 ATOM 9368 C CB . LEU C 1 373 ? 10.106 -27.135 -10.573 1.00 19.93 ? 372 LEU C CB 1 ATOM 9369 C CG . LEU C 1 373 ? 9.452 -25.769 -10.715 1.00 20.39 ? 372 LEU C CG 1 ATOM 9370 C CD1 . LEU C 1 373 ? 9.866 -25.063 -12.001 1.00 20.45 ? 372 LEU C CD1 1 ATOM 9371 C CD2 . LEU C 1 373 ? 7.936 -25.938 -10.650 1.00 20.39 ? 372 LEU C CD2 1 ATOM 9372 N N . LYS C 1 374 ? 12.090 -26.736 -8.101 1.00 21.49 ? 373 LYS C N 1 ATOM 9373 C CA . LYS C 1 374 ? 12.568 -25.995 -6.948 1.00 23.28 ? 373 LYS C CA 1 ATOM 9374 C C . LYS C 1 374 ? 14.023 -25.526 -7.132 1.00 24.31 ? 373 LYS C C 1 ATOM 9375 O O . LYS C 1 374 ? 14.355 -24.389 -6.787 1.00 24.04 ? 373 LYS C O 1 ATOM 9376 C CB . LYS C 1 374 ? 12.462 -26.822 -5.670 1.00 24.79 ? 373 LYS C CB 1 ATOM 9377 C CG . LYS C 1 374 ? 12.631 -25.967 -4.419 1.00 25.65 ? 373 LYS C CG 1 ATOM 9378 C CD . LYS C 1 374 ? 12.536 -26.791 -3.163 1.00 27.50 ? 373 LYS C CD 1 ATOM 9379 C CE . LYS C 1 374 ? 12.538 -25.876 -1.944 1.00 28.99 ? 373 LYS C CE 1 ATOM 9380 N NZ . LYS C 1 374 ? 12.397 -26.724 -0.739 1.00 30.95 ? 373 LYS C NZ 1 ATOM 9381 N N . ARG C 1 375 ? 14.875 -26.408 -7.641 1.00 25.05 ? 374 ARG C N 1 ATOM 9382 C CA A ARG C 1 375 ? 16.278 -26.077 -7.905 0.50 26.58 ? 374 ARG C CA 1 ATOM 9383 C CA B ARG C 1 375 ? 16.281 -26.079 -7.908 0.50 26.95 ? 374 ARG C CA 1 ATOM 9384 C C . ARG C 1 375 ? 16.406 -24.985 -8.977 1.00 24.98 ? 374 ARG C C 1 ATOM 9385 O O . ARG C 1 375 ? 17.219 -24.073 -8.838 1.00 24.98 ? 374 ARG C O 1 ATOM 9386 C CB A ARG C 1 375 ? 17.053 -27.336 -8.317 0.50 28.72 ? 374 ARG C CB 1 ATOM 9387 C CB B ARG C 1 375 ? 17.066 -27.333 -8.334 0.50 29.92 ? 374 ARG C CB 1 ATOM 9388 C CG A ARG C 1 375 ? 18.527 -27.125 -8.648 0.50 31.47 ? 374 ARG C CG 1 ATOM 9389 C CG B ARG C 1 375 ? 18.529 -27.076 -8.725 0.50 33.66 ? 374 ARG C CG 1 ATOM 9390 C CD A ARG C 1 375 ? 19.325 -26.640 -7.456 0.50 33.89 ? 374 ARG C CD 1 ATOM 9391 C CD B ARG C 1 375 ? 19.129 -28.226 -9.535 0.50 36.98 ? 374 ARG C CD 1 ATOM 9392 N NE A ARG C 1 375 ? 20.712 -26.360 -7.822 0.50 36.24 ? 374 ARG C NE 1 ATOM 9393 N NE B ARG C 1 375 ? 19.675 -27.787 -10.830 0.50 39.06 ? 374 ARG C NE 1 ATOM 9394 C CZ A ARG C 1 375 ? 21.102 -25.282 -8.499 0.50 37.55 ? 374 ARG C CZ 1 ATOM 9395 C CZ B ARG C 1 375 ? 18.955 -27.656 -11.944 0.50 39.16 ? 374 ARG C CZ 1 ATOM 9396 N NH1 A ARG C 1 375 ? 22.380 -25.107 -8.788 0.50 39.58 ? 374 ARG C NH1 1 ATOM 9397 N NH1 B ARG C 1 375 ? 19.523 -27.251 -13.070 0.50 39.48 ? 374 ARG C NH1 1 ATOM 9398 N NH2 A ARG C 1 375 ? 20.214 -24.383 -8.897 0.50 37.25 ? 374 ARG C NH2 1 ATOM 9399 N NH2 B ARG C 1 375 ? 17.660 -27.928 -11.931 0.50 39.06 ? 374 ARG C NH2 1 ATOM 9400 N N . VAL C 1 376 ? 15.590 -25.063 -10.034 1.00 23.55 ? 375 VAL C N 1 ATOM 9401 C CA . VAL C 1 376 ? 15.584 -24.034 -11.089 1.00 22.77 ? 375 VAL C CA 1 ATOM 9402 C C . VAL C 1 376 ? 15.200 -22.671 -10.493 1.00 22.91 ? 375 VAL C C 1 ATOM 9403 O O . VAL C 1 376 ? 15.831 -21.665 -10.788 1.00 23.47 ? 375 VAL C O 1 ATOM 9404 C CB . VAL C 1 376 ? 14.624 -24.390 -12.271 1.00 22.71 ? 375 VAL C CB 1 ATOM 9405 C CG1 . VAL C 1 376 ? 14.499 -23.238 -13.263 1.00 22.55 ? 375 VAL C CG1 1 ATOM 9406 C CG2 . VAL C 1 376 ? 15.101 -25.623 -13.008 1.00 23.44 ? 375 VAL C CG2 1 ATOM 9407 N N . LEU C 1 377 ? 14.166 -22.642 -9.651 1.00 22.96 ? 376 LEU C N 1 ATOM 9408 C CA . LEU C 1 377 ? 13.629 -21.384 -9.118 1.00 23.53 ? 376 LEU C CA 1 ATOM 9409 C C . LEU C 1 377 ? 14.445 -20.786 -7.974 1.00 26.68 ? 376 LEU C C 1 ATOM 9410 O O . LEU C 1 377 ? 14.692 -19.589 -7.947 1.00 25.69 ? 376 LEU C O 1 ATOM 9411 C CB . LEU C 1 377 ? 12.181 -21.585 -8.658 1.00 22.84 ? 376 LEU C CB 1 ATOM 9412 C CG . LEU C 1 377 ? 11.202 -22.004 -9.747 1.00 21.64 ? 376 LEU C CG 1 ATOM 9413 C CD1 . LEU C 1 377 ? 9.791 -22.152 -9.193 1.00 21.90 ? 376 LEU C CD1 1 ATOM 9414 C CD2 . LEU C 1 377 ? 11.205 -21.015 -10.918 1.00 21.80 ? 376 LEU C CD2 1 ATOM 9415 N N . LEU C 1 378 ? 14.822 -21.623 -7.019 1.00 28.80 ? 377 LEU C N 1 ATOM 9416 C CA . LEU C 1 378 ? 15.361 -21.171 -5.748 1.00 33.52 ? 377 LEU C CA 1 ATOM 9417 C C . LEU C 1 378 ? 16.857 -21.354 -5.632 1.00 38.15 ? 377 LEU C C 1 ATOM 9418 O O . LEU C 1 378 ? 17.457 -20.858 -4.677 1.00 39.09 ? 377 LEU C O 1 ATOM 9419 C CB . LEU C 1 378 ? 14.678 -21.913 -4.599 1.00 34.30 ? 377 LEU C CB 1 ATOM 9420 C CG . LEU C 1 378 ? 13.216 -21.532 -4.373 1.00 36.94 ? 377 LEU C CG 1 ATOM 9421 C CD1 . LEU C 1 378 ? 12.672 -22.385 -3.247 1.00 38.10 ? 377 LEU C CD1 1 ATOM 9422 C CD2 . LEU C 1 378 ? 12.967 -20.058 -4.095 1.00 39.85 ? 377 LEU C CD2 1 ATOM 9423 N N . GLY C 1 379 ? 17.461 -22.087 -6.558 1.00 39.73 ? 378 GLY C N 1 ATOM 9424 C CA . GLY C 1 379 ? 18.906 -22.156 -6.630 1.00 45.81 ? 378 GLY C CA 1 ATOM 9425 C C . GLY C 1 379 ? 19.452 -23.301 -5.808 1.00 53.22 ? 378 GLY C C 1 ATOM 9426 O O . GLY C 1 379 ? 18.675 -24.087 -5.256 1.00 53.21 ? 378 GLY C O 1 ATOM 9427 N N . PRO C 1 380 ? 20.801 -23.403 -5.721 1.00 62.22 ? 379 PRO C N 1 ATOM 9428 C CA . PRO C 1 380 ? 21.489 -24.564 -5.130 1.00 66.13 ? 379 PRO C CA 1 ATOM 9429 C C . PRO C 1 380 ? 21.325 -24.674 -3.615 1.00 68.64 ? 379 PRO C C 1 ATOM 9430 O O . PRO C 1 380 ? 21.005 -23.682 -2.962 1.00 74.54 ? 379 PRO C O 1 ATOM 9431 C CB . PRO C 1 380 ? 22.962 -24.326 -5.496 1.00 66.68 ? 379 PRO C CB 1 ATOM 9432 C CG . PRO C 1 380 ? 23.084 -22.850 -5.689 1.00 66.62 ? 379 PRO C CG 1 ATOM 9433 C CD . PRO C 1 380 ? 21.750 -22.365 -6.182 1.00 62.81 ? 379 PRO C CD 1 ATOM 9434 N N . HIS D 1 5 ? -18.549 10.717 -0.015 1.00 32.88 ? 4 HIS D N 1 ATOM 9435 C CA . HIS D 1 5 ? -17.860 11.259 -1.192 1.00 30.18 ? 4 HIS D CA 1 ATOM 9436 C C . HIS D 1 5 ? -17.396 10.177 -2.146 1.00 28.18 ? 4 HIS D C 1 ATOM 9437 O O . HIS D 1 5 ? -17.005 9.102 -1.745 1.00 28.68 ? 4 HIS D O 1 ATOM 9438 C CB . HIS D 1 5 ? -16.674 12.104 -0.774 1.00 31.33 ? 4 HIS D CB 1 ATOM 9439 C CG . HIS D 1 5 ? -15.625 11.375 0.015 1.00 32.48 ? 4 HIS D CG 1 ATOM 9440 N ND1 . HIS D 1 5 ? -15.279 11.767 1.285 1.00 33.53 ? 4 HIS D ND1 1 ATOM 9441 C CD2 . HIS D 1 5 ? -14.820 10.329 -0.287 1.00 32.08 ? 4 HIS D CD2 1 ATOM 9442 C CE1 . HIS D 1 5 ? -14.301 11.000 1.735 1.00 34.88 ? 4 HIS D CE1 1 ATOM 9443 N NE2 . HIS D 1 5 ? -14.007 10.112 0.800 1.00 32.86 ? 4 HIS D NE2 1 ATOM 9444 N N . PRO D 1 6 ? -17.384 10.493 -3.428 1.00 24.61 ? 5 PRO D N 1 ATOM 9445 C CA . PRO D 1 6 ? -17.094 9.445 -4.393 1.00 23.71 ? 5 PRO D CA 1 ATOM 9446 C C . PRO D 1 6 ? -15.596 9.165 -4.534 1.00 20.86 ? 5 PRO D C 1 ATOM 9447 O O . PRO D 1 6 ? -14.774 10.077 -4.293 1.00 20.87 ? 5 PRO D O 1 ATOM 9448 C CB . PRO D 1 6 ? -17.629 10.036 -5.681 1.00 24.55 ? 5 PRO D CB 1 ATOM 9449 C CG . PRO D 1 6 ? -17.413 11.510 -5.507 1.00 25.29 ? 5 PRO D CG 1 ATOM 9450 C CD . PRO D 1 6 ? -17.689 11.789 -4.061 1.00 26.19 ? 5 PRO D CD 1 ATOM 9451 N N . PRO D 1 7 ? -15.238 7.939 -4.920 1.00 19.39 ? 6 PRO D N 1 ATOM 9452 C CA . PRO D 1 7 ? -13.818 7.652 -5.196 1.00 18.13 ? 6 PRO D CA 1 ATOM 9453 C C . PRO D 1 7 ? -13.269 8.502 -6.339 1.00 17.52 ? 6 PRO D C 1 ATOM 9454 O O . PRO D 1 7 ? -14.011 8.881 -7.249 1.00 16.41 ? 6 PRO D O 1 ATOM 9455 C CB . PRO D 1 7 ? -13.786 6.143 -5.521 1.00 18.80 ? 6 PRO D CB 1 ATOM 9456 C CG . PRO D 1 7 ? -15.201 5.644 -5.449 1.00 20.27 ? 6 PRO D CG 1 ATOM 9457 C CD . PRO D 1 7 ? -16.124 6.800 -5.206 1.00 19.83 ? 6 PRO D CD 1 ATOM 9458 N N . VAL D 1 8 ? -11.974 8.789 -6.282 1.00 16.43 ? 7 VAL D N 1 ATOM 9459 C CA . VAL D 1 8 ? -11.330 9.706 -7.208 1.00 15.96 ? 7 VAL D CA 1 ATOM 9460 C C . VAL D 1 8 ? -10.112 9.026 -7.817 1.00 15.14 ? 7 VAL D C 1 ATOM 9461 O O . VAL D 1 8 ? -9.299 8.443 -7.082 1.00 14.06 ? 7 VAL D O 1 ATOM 9462 C CB . VAL D 1 8 ? -10.889 10.990 -6.485 1.00 16.25 ? 7 VAL D CB 1 ATOM 9463 C CG1 . VAL D 1 8 ? -10.004 11.856 -7.360 1.00 16.31 ? 7 VAL D CG1 1 ATOM 9464 C CG2 . VAL D 1 8 ? -12.098 11.817 -6.051 1.00 17.51 ? 7 VAL D CG2 1 ATOM 9465 N N . VAL D 1 9 ? -9.979 9.148 -9.137 1.00 14.83 ? 8 VAL D N 1 ATOM 9466 C CA . VAL D 1 9 ? -8.773 8.742 -9.851 1.00 15.02 ? 8 VAL D CA 1 ATOM 9467 C C . VAL D 1 9 ? -8.132 9.983 -10.513 1.00 15.21 ? 8 VAL D C 1 ATOM 9468 O O . VAL D 1 9 ? -8.815 10.746 -11.193 1.00 15.05 ? 8 VAL D O 1 ATOM 9469 C CB . VAL D 1 9 ? -9.076 7.670 -10.909 1.00 15.07 ? 8 VAL D CB 1 ATOM 9470 C CG1 . VAL D 1 9 ? -7.870 7.396 -11.780 1.00 15.15 ? 8 VAL D CG1 1 ATOM 9471 C CG2 . VAL D 1 9 ? -9.565 6.373 -10.244 1.00 15.57 ? 8 VAL D CG2 1 ATOM 9472 N N . LEU D 1 10 ? -6.841 10.172 -10.259 1.00 14.75 ? 9 LEU D N 1 ATOM 9473 C CA . LEU D 1 10 ? -6.068 11.300 -10.746 1.00 15.09 ? 9 LEU D CA 1 ATOM 9474 C C . LEU D 1 10 ? -5.218 10.872 -11.953 1.00 14.74 ? 9 LEU D C 1 ATOM 9475 O O . LEU D 1 10 ? -4.495 9.846 -11.892 1.00 14.03 ? 9 LEU D O 1 ATOM 9476 C CB . LEU D 1 10 ? -5.148 11.832 -9.640 1.00 15.94 ? 9 LEU D CB 1 ATOM 9477 C CG . LEU D 1 10 ? -5.784 12.169 -8.282 1.00 16.76 ? 9 LEU D CG 1 ATOM 9478 C CD1 . LEU D 1 10 ? -4.735 12.533 -7.255 1.00 17.98 ? 9 LEU D CD1 1 ATOM 9479 C CD2 . LEU D 1 10 ? -6.790 13.297 -8.407 1.00 17.80 ? 9 LEU D CD2 1 ATOM 9480 N N . VAL D 1 11 ? -5.324 11.635 -13.045 1.00 14.25 ? 10 VAL D N 1 ATOM 9481 C CA . VAL D 1 11 ? -4.641 11.307 -14.298 1.00 13.45 ? 10 VAL D CA 1 ATOM 9482 C C . VAL D 1 11 ? -3.733 12.483 -14.661 1.00 13.42 ? 10 VAL D C 1 ATOM 9483 O O . VAL D 1 11 ? -4.217 13.596 -14.870 1.00 13.02 ? 10 VAL D O 1 ATOM 9484 C CB . VAL D 1 11 ? -5.617 11.006 -15.455 1.00 13.79 ? 10 VAL D CB 1 ATOM 9485 C CG1 . VAL D 1 11 ? -4.850 10.554 -16.680 1.00 13.51 ? 10 VAL D CG1 1 ATOM 9486 C CG2 . VAL D 1 11 ? -6.658 9.968 -15.050 1.00 14.48 ? 10 VAL D CG2 1 ATOM 9487 N N . PRO D 1 12 ? -2.415 12.249 -14.678 1.00 12.53 ? 11 PRO D N 1 ATOM 9488 C CA . PRO D 1 12 ? -1.479 13.349 -14.852 1.00 12.70 ? 11 PRO D CA 1 ATOM 9489 C C . PRO D 1 12 ? -1.251 13.703 -16.316 1.00 13.34 ? 11 PRO D C 1 ATOM 9490 O O . PRO D 1 12 ? -1.652 12.960 -17.197 1.00 12.92 ? 11 PRO D O 1 ATOM 9491 C CB . PRO D 1 12 ? -0.170 12.777 -14.268 1.00 12.71 ? 11 PRO D CB 1 ATOM 9492 C CG . PRO D 1 12 ? -0.244 11.322 -14.558 1.00 12.90 ? 11 PRO D CG 1 ATOM 9493 C CD . PRO D 1 12 ? -1.720 10.983 -14.399 1.00 12.77 ? 11 PRO D CD 1 ATOM 9494 N N . GLY D 1 13 ? -0.537 14.797 -16.549 1.00 14.03 ? 12 GLY D N 1 ATOM 9495 C CA . GLY D 1 13 ? -0.151 15.179 -17.886 1.00 15.29 ? 12 GLY D CA 1 ATOM 9496 C C . GLY D 1 13 ? 1.264 14.749 -18.234 1.00 16.09 ? 12 GLY D C 1 ATOM 9497 O O . GLY D 1 13 ? 1.885 13.924 -17.550 1.00 15.85 ? 12 GLY D O 1 ATOM 9498 N N . ASP D 1 14 ? 1.757 15.320 -19.332 1.00 16.44 ? 13 ASP D N 1 ATOM 9499 C CA . ASP D 1 14 ? 3.121 15.088 -19.799 1.00 17.16 ? 13 ASP D CA 1 ATOM 9500 C C . ASP D 1 14 ? 4.117 15.506 -18.711 1.00 16.56 ? 13 ASP D C 1 ATOM 9501 O O . ASP D 1 14 ? 3.953 16.536 -18.059 1.00 17.05 ? 13 ASP D O 1 ATOM 9502 C CB . ASP D 1 14 ? 3.320 15.874 -21.113 1.00 17.71 ? 13 ASP D CB 1 ATOM 9503 C CG . ASP D 1 14 ? 4.450 15.337 -21.994 1.00 19.68 ? 13 ASP D CG 1 ATOM 9504 O OD1 . ASP D 1 14 ? 5.190 14.377 -21.620 1.00 19.04 ? 13 ASP D OD1 1 ATOM 9505 O OD2 . ASP D 1 14 ? 4.577 15.895 -23.126 1.00 21.80 ? 13 ASP D OD2 1 ATOM 9506 N N . LEU D 1 15 ? 5.149 14.697 -18.502 1.00 16.71 ? 14 LEU D N 1 ATOM 9507 C CA . LEU D 1 15 ? 6.131 14.897 -17.439 1.00 16.76 ? 14 LEU D CA 1 ATOM 9508 C C . LEU D 1 15 ? 5.549 14.716 -16.035 1.00 15.95 ? 14 LEU D C 1 ATOM 9509 O O . LEU D 1 15 ? 6.211 15.039 -15.057 1.00 16.29 ? 14 LEU D O 1 ATOM 9510 C CB . LEU D 1 15 ? 6.789 16.289 -17.511 1.00 18.15 ? 14 LEU D CB 1 ATOM 9511 C CG . LEU D 1 15 ? 7.327 16.764 -18.866 1.00 20.72 ? 14 LEU D CG 1 ATOM 9512 C CD1 . LEU D 1 15 ? 7.990 18.116 -18.686 1.00 21.33 ? 14 LEU D CD1 1 ATOM 9513 C CD2 . LEU D 1 15 ? 8.323 15.763 -19.408 1.00 22.07 ? 14 LEU D CD2 1 ATOM 9514 N N . GLY D 1 16 ? 4.314 14.230 -15.949 1.00 14.83 ? 15 GLY D N 1 ATOM 9515 C CA . GLY D 1 16 ? 3.509 14.377 -14.735 1.00 14.90 ? 15 GLY D CA 1 ATOM 9516 C C . GLY D 1 16 ? 3.534 13.224 -13.744 1.00 14.87 ? 15 GLY D C 1 ATOM 9517 O O . GLY D 1 16 ? 2.748 13.204 -12.802 1.00 14.88 ? 15 GLY D O 1 ATOM 9518 N N . ASN D 1 17 ? 4.447 12.267 -13.930 1.00 13.99 ? 16 ASN D N 1 ATOM 9519 C CA . ASN D 1 17 ? 4.712 11.281 -12.893 1.00 14.17 ? 16 ASN D CA 1 ATOM 9520 C C . ASN D 1 17 ? 6.156 10.803 -12.963 1.00 14.39 ? 16 ASN D C 1 ATOM 9521 O O . ASN D 1 17 ? 6.821 10.949 -13.999 1.00 14.03 ? 16 ASN D O 1 ATOM 9522 C CB . ASN D 1 17 ? 3.702 10.114 -12.895 1.00 13.78 ? 16 ASN D CB 1 ATOM 9523 C CG . ASN D 1 17 ? 3.543 9.452 -14.248 1.00 13.43 ? 16 ASN D CG 1 ATOM 9524 O OD1 . ASN D 1 17 ? 2.500 9.574 -14.905 1.00 13.85 ? 16 ASN D OD1 1 ATOM 9525 N ND2 . ASN D 1 17 ? 4.584 8.737 -14.692 1.00 13.19 ? 16 ASN D ND2 1 ATOM 9526 N N . GLN D 1 18 ? 6.626 10.259 -11.852 1.00 15.01 ? 17 GLN D N 1 ATOM 9527 C CA . GLN D 1 18 ? 7.965 9.708 -11.798 1.00 15.28 ? 17 GLN D CA 1 ATOM 9528 C C . GLN D 1 18 ? 8.132 8.592 -12.841 1.00 15.28 ? 17 GLN D C 1 ATOM 9529 O O . GLN D 1 18 ? 7.160 7.897 -13.172 1.00 14.20 ? 17 GLN D O 1 ATOM 9530 C CB . GLN D 1 18 ? 8.244 9.121 -10.428 1.00 16.79 ? 17 GLN D CB 1 ATOM 9531 C CG . GLN D 1 18 ? 8.278 10.139 -9.304 1.00 17.66 ? 17 GLN D CG 1 ATOM 9532 C CD . GLN D 1 18 ? 8.503 9.500 -7.946 1.00 18.84 ? 17 GLN D CD 1 ATOM 9533 O OE1 . GLN D 1 18 ? 9.025 8.387 -7.834 1.00 18.91 ? 17 GLN D OE1 1 ATOM 9534 N NE2 . GLN D 1 18 ? 8.123 10.209 -6.913 1.00 19.17 ? 17 GLN D NE2 1 ATOM 9535 N N . LEU D 1 19 ? 9.363 8.428 -13.324 1.00 15.25 ? 18 LEU D N 1 ATOM 9536 C CA . LEU D 1 19 ? 9.772 7.273 -14.104 1.00 15.74 ? 18 LEU D CA 1 ATOM 9537 C C . LEU D 1 19 ? 11.064 6.723 -13.526 1.00 16.92 ? 18 LEU D C 1 ATOM 9538 O O . LEU D 1 19 ? 11.911 7.478 -13.047 1.00 16.79 ? 18 LEU D O 1 ATOM 9539 C CB . LEU D 1 19 ? 10.000 7.619 -15.573 1.00 15.95 ? 18 LEU D CB 1 ATOM 9540 C CG . LEU D 1 19 ? 8.809 8.124 -16.400 1.00 16.92 ? 18 LEU D CG 1 ATOM 9541 C CD1 . LEU D 1 19 ? 9.282 8.478 -17.807 1.00 17.66 ? 18 LEU D CD1 1 ATOM 9542 C CD2 . LEU D 1 19 ? 7.706 7.105 -16.459 1.00 17.47 ? 18 LEU D CD2 1 ATOM 9543 N N . GLU D 1 20 ? 11.213 5.405 -13.581 1.00 17.10 ? 19 GLU D N 1 ATOM 9544 C CA . GLU D 1 20 ? 12.396 4.725 -13.041 1.00 18.72 ? 19 GLU D CA 1 ATOM 9545 C C . GLU D 1 20 ? 13.061 3.920 -14.137 1.00 18.39 ? 19 GLU D C 1 ATOM 9546 O O . GLU D 1 20 ? 12.368 3.424 -15.035 1.00 17.69 ? 19 GLU D O 1 ATOM 9547 C CB . GLU D 1 20 ? 11.977 3.772 -11.917 1.00 20.73 ? 19 GLU D CB 1 ATOM 9548 C CG . GLU D 1 20 ? 11.567 4.497 -10.659 1.00 23.00 ? 19 GLU D CG 1 ATOM 9549 C CD . GLU D 1 20 ? 11.017 3.613 -9.567 1.00 24.86 ? 19 GLU D CD 1 ATOM 9550 O OE1 . GLU D 1 20 ? 10.747 2.410 -9.804 1.00 26.99 ? 19 GLU D OE1 1 ATOM 9551 O OE2 . GLU D 1 20 ? 10.819 4.157 -8.458 1.00 27.77 ? 19 GLU D OE2 1 ATOM 9552 N N . ALA D 1 21 ? 14.388 3.788 -14.077 1.00 18.08 ? 20 ALA D N 1 ATOM 9553 C CA . ALA D 1 21 ? 15.119 3.021 -15.063 1.00 18.20 ? 20 ALA D CA 1 ATOM 9554 C C . ALA D 1 21 ? 16.052 2.003 -14.418 1.00 19.22 ? 20 ALA D C 1 ATOM 9555 O O . ALA D 1 21 ? 16.532 2.202 -13.302 1.00 19.65 ? 20 ALA D O 1 ATOM 9556 C CB . ALA D 1 21 ? 15.900 3.930 -15.987 1.00 18.62 ? 20 ALA D CB 1 ATOM 9557 N N . LYS D 1 22 ? 16.315 0.927 -15.144 1.00 19.81 ? 21 LYS D N 1 ATOM 9558 C CA . LYS D 1 22 ? 17.334 -0.060 -14.764 1.00 21.54 ? 21 LYS D CA 1 ATOM 9559 C C . LYS D 1 22 ? 18.194 -0.337 -15.982 1.00 21.24 ? 21 LYS D C 1 ATOM 9560 O O . LYS D 1 22 ? 17.692 -0.421 -17.100 1.00 20.46 ? 21 LYS D O 1 ATOM 9561 C CB . LYS D 1 22 ? 16.685 -1.340 -14.245 1.00 23.35 ? 21 LYS D CB 1 ATOM 9562 C CG . LYS D 1 22 ? 17.674 -2.419 -13.836 1.00 25.98 ? 21 LYS D CG 1 ATOM 9563 C CD . LYS D 1 22 ? 16.954 -3.633 -13.252 1.00 29.68 ? 21 LYS D CD 1 ATOM 9564 C CE . LYS D 1 22 ? 17.961 -4.651 -12.739 1.00 35.31 ? 21 LYS D CE 1 ATOM 9565 N NZ . LYS D 1 22 ? 17.287 -5.695 -11.901 1.00 38.78 ? 21 LYS D NZ 1 ATOM 9566 N N . LEU D 1 23 ? 19.502 -0.447 -15.780 1.00 21.85 ? 22 LEU D N 1 ATOM 9567 C CA . LEU D 1 23 ? 20.443 -0.457 -16.886 1.00 21.80 ? 22 LEU D CA 1 ATOM 9568 C C . LEU D 1 23 ? 21.302 -1.716 -16.943 1.00 23.60 ? 22 LEU D C 1 ATOM 9569 O O . LEU D 1 23 ? 21.732 -2.216 -15.921 1.00 23.40 ? 22 LEU D O 1 ATOM 9570 C CB . LEU D 1 23 ? 21.387 0.747 -16.767 1.00 22.57 ? 22 LEU D CB 1 ATOM 9571 C CG . LEU D 1 23 ? 20.776 2.121 -16.528 1.00 21.64 ? 22 LEU D CG 1 ATOM 9572 C CD1 . LEU D 1 23 ? 21.894 3.154 -16.380 1.00 22.66 ? 22 LEU D CD1 1 ATOM 9573 C CD2 . LEU D 1 23 ? 19.802 2.507 -17.634 1.00 21.14 ? 22 LEU D CD2 1 ATOM 9574 N N . ASP D 1 24 ? 21.548 -2.189 -18.153 1.00 25.35 ? 23 ASP D N 1 ATOM 9575 C CA . ASP D 1 24 ? 22.633 -3.138 -18.472 1.00 27.72 ? 23 ASP D CA 1 ATOM 9576 C C . ASP D 1 24 ? 23.055 -2.882 -19.925 1.00 27.41 ? 23 ASP D C 1 ATOM 9577 O O . ASP D 1 24 ? 22.755 -3.664 -20.829 1.00 27.45 ? 23 ASP D O 1 ATOM 9578 C CB . ASP D 1 24 ? 22.166 -4.583 -18.276 1.00 29.27 ? 23 ASP D CB 1 ATOM 9579 C CG . ASP D 1 24 ? 23.317 -5.594 -18.350 1.00 33.27 ? 23 ASP D CG 1 ATOM 9580 O OD1 . ASP D 1 24 ? 24.494 -5.190 -18.471 1.00 34.23 ? 23 ASP D OD1 1 ATOM 9581 O OD2 . ASP D 1 24 ? 23.035 -6.810 -18.291 1.00 35.92 ? 23 ASP D OD2 1 ATOM 9582 N N . LYS D 1 25 ? 23.709 -1.751 -20.152 1.00 27.12 ? 24 LYS D N 1 ATOM 9583 C CA . LYS D 1 25 ? 23.913 -1.218 -21.496 1.00 27.78 ? 24 LYS D CA 1 ATOM 9584 C C . LYS D 1 25 ? 25.209 -1.752 -22.090 1.00 30.65 ? 24 LYS D C 1 ATOM 9585 O O . LYS D 1 25 ? 26.185 -1.903 -21.372 1.00 29.92 ? 24 LYS D O 1 ATOM 9586 C CB . LYS D 1 25 ? 24.001 0.312 -21.453 1.00 27.32 ? 24 LYS D CB 1 ATOM 9587 C CG . LYS D 1 25 ? 22.748 1.004 -20.917 1.00 26.57 ? 24 LYS D CG 1 ATOM 9588 C CD . LYS D 1 25 ? 23.057 2.416 -20.416 1.00 26.99 ? 24 LYS D CD 1 ATOM 9589 C CE . LYS D 1 25 ? 23.389 3.395 -21.530 1.00 27.09 ? 24 LYS D CE 1 ATOM 9590 N NZ . LYS D 1 25 ? 22.219 3.810 -22.359 1.00 27.10 ? 24 LYS D NZ 1 ATOM 9591 N N . PRO D 1 26 ? 25.219 -2.049 -23.397 1.00 32.67 ? 25 PRO D N 1 ATOM 9592 C CA . PRO D 1 26 ? 26.471 -2.518 -24.008 1.00 34.87 ? 25 PRO D CA 1 ATOM 9593 C C . PRO D 1 26 ? 27.528 -1.419 -24.123 1.00 35.62 ? 25 PRO D C 1 ATOM 9594 O O . PRO D 1 26 ? 28.722 -1.713 -24.043 1.00 35.32 ? 25 PRO D O 1 ATOM 9595 C CB . PRO D 1 26 ? 26.035 -2.994 -25.402 1.00 35.53 ? 25 PRO D CB 1 ATOM 9596 C CG . PRO D 1 26 ? 24.728 -2.364 -25.655 1.00 35.06 ? 25 PRO D CG 1 ATOM 9597 C CD . PRO D 1 26 ? 24.079 -2.121 -24.322 1.00 33.29 ? 25 PRO D CD 1 ATOM 9598 N N . THR D 1 27 ? 27.088 -0.178 -24.341 1.00 35.01 ? 26 THR D N 1 ATOM 9599 C CA . THR D 1 27 ? 27.993 0.965 -24.467 1.00 36.97 ? 26 THR D CA 1 ATOM 9600 C C . THR D 1 27 ? 27.375 2.197 -23.819 1.00 34.48 ? 26 THR D C 1 ATOM 9601 O O . THR D 1 27 ? 26.145 2.288 -23.649 1.00 31.71 ? 26 THR D O 1 ATOM 9602 C CB . THR D 1 27 ? 28.285 1.310 -25.951 1.00 39.46 ? 26 THR D CB 1 ATOM 9603 O OG1 . THR D 1 27 ? 27.067 1.686 -26.608 1.00 42.31 ? 26 THR D OG1 1 ATOM 9604 C CG2 . THR D 1 27 ? 28.887 0.142 -26.680 1.00 41.49 ? 26 THR D CG2 1 ATOM 9605 N N . VAL D 1 28 ? 28.221 3.166 -23.487 1.00 33.49 ? 27 VAL D N 1 ATOM 9606 C CA . VAL D 1 28 ? 27.745 4.465 -22.984 1.00 32.11 ? 27 VAL D CA 1 ATOM 9607 C C . VAL D 1 28 ? 28.343 5.600 -23.802 1.00 32.16 ? 27 VAL D C 1 ATOM 9608 O O . VAL D 1 28 ? 29.389 5.424 -24.430 1.00 32.24 ? 27 VAL D O 1 ATOM 9609 C CB . VAL D 1 28 ? 28.074 4.675 -21.487 1.00 31.95 ? 27 VAL D CB 1 ATOM 9610 C CG1 . VAL D 1 28 ? 27.175 3.816 -20.608 1.00 31.19 ? 27 VAL D CG1 1 ATOM 9611 C CG2 . VAL D 1 28 ? 29.556 4.399 -21.187 1.00 34.05 ? 27 VAL D CG2 1 ATOM 9612 N N . VAL D 1 29 ? 27.702 6.767 -23.777 1.00 30.48 ? 28 VAL D N 1 ATOM 9613 C CA . VAL D 1 29 ? 28.174 7.909 -24.565 1.00 32.30 ? 28 VAL D CA 1 ATOM 9614 C C . VAL D 1 29 ? 29.360 8.661 -23.935 1.00 33.48 ? 28 VAL D C 1 ATOM 9615 O O . VAL D 1 29 ? 30.104 9.325 -24.652 1.00 35.07 ? 28 VAL D O 1 ATOM 9616 C CB . VAL D 1 29 ? 27.039 8.898 -24.927 1.00 31.64 ? 28 VAL D CB 1 ATOM 9617 C CG1 . VAL D 1 29 ? 25.969 8.177 -25.723 1.00 31.52 ? 28 VAL D CG1 1 ATOM 9618 C CG2 . VAL D 1 29 ? 26.449 9.565 -23.694 1.00 31.53 ? 28 VAL D CG2 1 ATOM 9619 N N . HIS D 1 30 ? 29.499 8.590 -22.615 1.00 33.80 ? 29 HIS D N 1 ATOM 9620 C CA . HIS D 1 30 ? 30.637 9.158 -21.889 1.00 35.91 ? 29 HIS D CA 1 ATOM 9621 C C . HIS D 1 30 ? 31.050 8.178 -20.812 1.00 35.15 ? 29 HIS D C 1 ATOM 9622 O O . HIS D 1 30 ? 30.210 7.439 -20.263 1.00 33.33 ? 29 HIS D O 1 ATOM 9623 C CB . HIS D 1 30 ? 30.296 10.488 -21.177 1.00 36.71 ? 29 HIS D CB 1 ATOM 9624 C CG . HIS D 1 30 ? 29.798 11.569 -22.083 1.00 37.93 ? 29 HIS D CG 1 ATOM 9625 N ND1 . HIS D 1 30 ? 30.475 11.971 -23.213 1.00 38.52 ? 29 HIS D ND1 1 ATOM 9626 C CD2 . HIS D 1 30 ? 28.685 12.342 -22.015 1.00 38.28 ? 29 HIS D CD2 1 ATOM 9627 C CE1 . HIS D 1 30 ? 29.800 12.938 -23.810 1.00 39.47 ? 29 HIS D CE1 1 ATOM 9628 N NE2 . HIS D 1 30 ? 28.709 13.181 -23.103 1.00 39.35 ? 29 HIS D NE2 1 ATOM 9629 N N . TYR D 1 31 ? 32.325 8.242 -20.449 1.00 35.94 ? 30 TYR D N 1 ATOM 9630 C CA . TYR D 1 31 ? 32.871 7.415 -19.383 1.00 37.40 ? 30 TYR D CA 1 ATOM 9631 C C . TYR D 1 31 ? 32.174 7.609 -18.042 1.00 36.86 ? 30 TYR D C 1 ATOM 9632 O O . TYR D 1 31 ? 32.086 6.687 -17.230 1.00 39.11 ? 30 TYR D O 1 ATOM 9633 C CB . TYR D 1 31 ? 34.375 7.770 -19.225 1.00 39.03 ? 30 TYR D CB 1 ATOM 9634 C CG . TYR D 1 31 ? 34.630 9.116 -18.561 1.00 38.85 ? 30 TYR D CG 1 ATOM 9635 C CD1 . TYR D 1 31 ? 34.600 10.314 -19.288 1.00 39.60 ? 30 TYR D CD1 1 ATOM 9636 C CD2 . TYR D 1 31 ? 34.870 9.193 -17.201 1.00 40.57 ? 30 TYR D CD2 1 ATOM 9637 C CE1 . TYR D 1 31 ? 34.814 11.542 -18.665 1.00 40.18 ? 30 TYR D CE1 1 ATOM 9638 C CE2 . TYR D 1 31 ? 35.088 10.409 -16.565 1.00 41.05 ? 30 TYR D CE2 1 ATOM 9639 C CZ . TYR D 1 31 ? 35.050 11.584 -17.299 1.00 41.62 ? 30 TYR D CZ 1 ATOM 9640 O OH . TYR D 1 31 ? 35.282 12.790 -16.665 1.00 43.42 ? 30 TYR D OH 1 ATOM 9641 N N . LEU D 1 32 ? 31.658 8.804 -17.806 1.00 36.18 ? 31 LEU D N 1 ATOM 9642 C CA . LEU D 1 32 ? 30.994 9.078 -16.536 1.00 37.21 ? 31 LEU D CA 1 ATOM 9643 C C . LEU D 1 32 ? 29.545 8.524 -16.460 1.00 35.97 ? 31 LEU D C 1 ATOM 9644 O O . LEU D 1 32 ? 28.937 8.586 -15.405 1.00 34.31 ? 31 LEU D O 1 ATOM 9645 C CB . LEU D 1 32 ? 31.059 10.581 -16.190 1.00 40.20 ? 31 LEU D CB 1 ATOM 9646 C CG . LEU D 1 32 ? 30.629 11.627 -17.222 1.00 41.96 ? 31 LEU D CG 1 ATOM 9647 C CD1 . LEU D 1 32 ? 29.122 11.603 -17.407 1.00 42.26 ? 31 LEU D CD1 1 ATOM 9648 C CD2 . LEU D 1 32 ? 31.092 13.022 -16.815 1.00 42.95 ? 31 LEU D CD2 1 ATOM 9649 N N . CYS D 1 33 ? 29.021 7.970 -17.554 1.00 33.89 ? 32 CYS D N 1 ATOM 9650 C CA . CYS D 1 33 ? 27.663 7.365 -17.545 1.00 32.91 ? 32 CYS D CA 1 ATOM 9651 C C . CYS D 1 33 ? 27.716 5.936 -16.988 1.00 32.39 ? 32 CYS D C 1 ATOM 9652 O O . CYS D 1 33 ? 28.619 5.170 -17.354 1.00 32.18 ? 32 CYS D O 1 ATOM 9653 C CB . CYS D 1 33 ? 27.094 7.302 -18.968 1.00 33.08 ? 32 CYS D CB 1 ATOM 9654 S SG . CYS D 1 33 ? 27.025 8.823 -19.967 1.00 35.78 ? 32 CYS D SG 1 ATOM 9655 N N . SER D 1 34 ? 26.788 5.556 -16.113 1.00 31.45 ? 33 SER D N 1 ATOM 9656 C CA . SER D 1 34 ? 26.727 4.160 -15.615 1.00 32.85 ? 33 SER D CA 1 ATOM 9657 C C . SER D 1 34 ? 26.264 3.216 -16.724 1.00 31.77 ? 33 SER D C 1 ATOM 9658 O O . SER D 1 34 ? 25.300 3.516 -17.447 1.00 29.14 ? 33 SER D O 1 ATOM 9659 C CB . SER D 1 34 ? 25.781 4.009 -14.428 1.00 34.67 ? 33 SER D CB 1 ATOM 9660 O OG . SER D 1 34 ? 26.264 4.716 -13.302 1.00 38.54 ? 33 SER D OG 1 ATOM 9661 N N . LYS D 1 35 ? 26.947 2.082 -16.844 1.00 30.99 ? 34 LYS D N 1 ATOM 9662 C CA . LYS D 1 35 ? 26.557 1.026 -17.770 1.00 32.03 ? 34 LYS D CA 1 ATOM 9663 C C . LYS D 1 35 ? 25.491 0.102 -17.193 1.00 31.20 ? 34 LYS D C 1 ATOM 9664 O O . LYS D 1 35 ? 24.644 -0.399 -17.919 1.00 29.67 ? 34 LYS D O 1 ATOM 9665 C CB . LYS D 1 35 ? 27.760 0.145 -18.116 1.00 33.96 ? 34 LYS D CB 1 ATOM 9666 C CG . LYS D 1 35 ? 28.386 0.442 -19.451 1.00 36.34 ? 34 LYS D CG 1 ATOM 9667 C CD . LYS D 1 35 ? 29.485 -0.563 -19.752 1.00 39.19 ? 34 LYS D CD 1 ATOM 9668 C CE . LYS D 1 35 ? 29.689 -0.661 -21.245 1.00 42.11 ? 34 LYS D CE 1 ATOM 9669 N NZ . LYS D 1 35 ? 30.872 -1.504 -21.578 1.00 45.05 ? 34 LYS D NZ 1 ATOM 9670 N N . LYS D 1 36 ? 25.568 -0.140 -15.894 1.00 32.09 ? 35 LYS D N 1 ATOM 9671 C CA . LYS D 1 36 ? 24.794 -1.193 -15.260 1.00 33.04 ? 35 LYS D CA 1 ATOM 9672 C C . LYS D 1 36 ? 24.336 -0.742 -13.886 1.00 32.52 ? 35 LYS D C 1 ATOM 9673 O O . LYS D 1 36 ? 25.099 -0.113 -13.158 1.00 32.38 ? 35 LYS D O 1 ATOM 9674 C CB . LYS D 1 36 ? 25.668 -2.441 -15.129 1.00 37.82 ? 35 LYS D CB 1 ATOM 9675 C CG . LYS D 1 36 ? 24.926 -3.696 -14.704 1.00 41.44 ? 35 LYS D CG 1 ATOM 9676 C CD . LYS D 1 36 ? 25.875 -4.880 -14.584 1.00 48.28 ? 35 LYS D CD 1 ATOM 9677 C CE . LYS D 1 36 ? 25.215 -6.084 -13.837 1.00 52.80 ? 35 LYS D CE 1 ATOM 9678 N NZ . LYS D 1 36 ? 25.393 -7.393 -14.555 1.00 57.06 ? 35 LYS D NZ 1 ATOM 9679 N N . THR D 1 37 ? 23.089 -1.042 -13.543 1.00 29.19 ? 36 THR D N 1 ATOM 9680 C CA . THR D 1 37 ? 22.588 -0.834 -12.194 1.00 29.50 ? 36 THR D CA 1 ATOM 9681 C C . THR D 1 37 ? 21.954 -2.144 -11.707 1.00 31.11 ? 36 THR D C 1 ATOM 9682 O O . THR D 1 37 ? 21.339 -2.866 -12.489 1.00 32.79 ? 36 THR D O 1 ATOM 9683 C CB . THR D 1 37 ? 21.561 0.320 -12.123 1.00 27.98 ? 36 THR D CB 1 ATOM 9684 O OG1 . THR D 1 37 ? 20.385 -0.012 -12.886 1.00 25.84 ? 36 THR D OG1 1 ATOM 9685 C CG2 . THR D 1 37 ? 22.169 1.633 -12.674 1.00 27.84 ? 36 THR D CG2 1 ATOM 9686 N N . GLU D 1 38 ? 22.061 -2.424 -10.420 1.00 33.04 ? 37 GLU D N 1 ATOM 9687 C CA . GLU D 1 38 ? 21.454 -3.629 -9.848 1.00 35.89 ? 37 GLU D CA 1 ATOM 9688 C C . GLU D 1 38 ? 19.954 -3.479 -9.590 1.00 32.94 ? 37 GLU D C 1 ATOM 9689 O O . GLU D 1 38 ? 19.239 -4.462 -9.513 1.00 33.25 ? 37 GLU D O 1 ATOM 9690 C CB . GLU D 1 38 ? 22.182 -4.025 -8.564 1.00 41.97 ? 37 GLU D CB 1 ATOM 9691 C CG . GLU D 1 38 ? 23.674 -4.278 -8.775 1.00 49.97 ? 37 GLU D CG 1 ATOM 9692 C CD . GLU D 1 38 ? 23.970 -5.338 -9.835 1.00 57.25 ? 37 GLU D CD 1 ATOM 9693 O OE1 . GLU D 1 38 ? 23.228 -6.345 -9.920 1.00 64.89 ? 37 GLU D OE1 1 ATOM 9694 O OE2 . GLU D 1 38 ? 24.954 -5.176 -10.592 1.00 65.36 ? 37 GLU D OE2 1 ATOM 9695 N N . SER D 1 39 ? 19.477 -2.247 -9.474 1.00 29.88 ? 38 SER D N 1 ATOM 9696 C CA . SER D 1 39 ? 18.059 -1.996 -9.278 1.00 28.61 ? 38 SER D CA 1 ATOM 9697 C C . SER D 1 39 ? 17.633 -0.767 -10.065 1.00 26.08 ? 38 SER D C 1 ATOM 9698 O O . SER D 1 39 ? 18.443 -0.137 -10.750 1.00 25.34 ? 38 SER D O 1 ATOM 9699 C CB . SER D 1 39 ? 17.778 -1.787 -7.793 1.00 31.32 ? 38 SER D CB 1 ATOM 9700 O OG . SER D 1 39 ? 18.539 -0.686 -7.327 1.00 34.58 ? 38 SER D OG 1 ATOM 9701 N N . TYR D 1 40 ? 16.348 -0.454 -9.981 1.00 23.49 ? 39 TYR D N 1 ATOM 9702 C CA . TYR D 1 40 ? 15.814 0.731 -10.622 1.00 22.20 ? 39 TYR D CA 1 ATOM 9703 C C . TYR D 1 40 ? 16.239 1.979 -9.860 1.00 23.06 ? 39 TYR D C 1 ATOM 9704 O O . TYR D 1 40 ? 16.412 1.928 -8.648 1.00 24.22 ? 39 TYR D O 1 ATOM 9705 C CB . TYR D 1 40 ? 14.301 0.644 -10.693 1.00 20.65 ? 39 TYR D CB 1 ATOM 9706 C CG . TYR D 1 40 ? 13.815 -0.328 -11.765 1.00 19.82 ? 39 TYR D CG 1 ATOM 9707 C CD1 . TYR D 1 40 ? 13.672 -1.687 -11.489 1.00 20.59 ? 39 TYR D CD1 1 ATOM 9708 C CD2 . TYR D 1 40 ? 13.496 0.124 -13.055 1.00 19.09 ? 39 TYR D CD2 1 ATOM 9709 C CE1 . TYR D 1 40 ? 13.268 -2.580 -12.474 1.00 20.58 ? 39 TYR D CE1 1 ATOM 9710 C CE2 . TYR D 1 40 ? 13.057 -0.757 -14.031 1.00 18.84 ? 39 TYR D CE2 1 ATOM 9711 C CZ . TYR D 1 40 ? 12.931 -2.106 -13.726 1.00 19.73 ? 39 TYR D CZ 1 ATOM 9712 O OH . TYR D 1 40 ? 12.558 -2.991 -14.702 1.00 20.20 ? 39 TYR D OH 1 ATOM 9713 N N . PHE D 1 41 ? 16.440 3.075 -10.584 1.00 22.08 ? 40 PHE D N 1 ATOM 9714 C CA . PHE D 1 41 ? 16.702 4.376 -9.982 1.00 22.61 ? 40 PHE D CA 1 ATOM 9715 C C . PHE D 1 41 ? 15.760 5.371 -10.661 1.00 21.75 ? 40 PHE D C 1 ATOM 9716 O O . PHE D 1 41 ? 15.253 5.122 -11.755 1.00 20.90 ? 40 PHE D O 1 ATOM 9717 C CB . PHE D 1 41 ? 18.151 4.819 -10.166 1.00 23.14 ? 40 PHE D CB 1 ATOM 9718 C CG . PHE D 1 41 ? 18.555 5.066 -11.602 1.00 23.52 ? 40 PHE D CG 1 ATOM 9719 C CD1 . PHE D 1 41 ? 18.955 4.011 -12.419 1.00 23.49 ? 40 PHE D CD1 1 ATOM 9720 C CD2 . PHE D 1 41 ? 18.583 6.354 -12.130 1.00 24.99 ? 40 PHE D CD2 1 ATOM 9721 C CE1 . PHE D 1 41 ? 19.327 4.233 -13.732 1.00 24.21 ? 40 PHE D CE1 1 ATOM 9722 C CE2 . PHE D 1 41 ? 18.959 6.589 -13.454 1.00 25.29 ? 40 PHE D CE2 1 ATOM 9723 C CZ . PHE D 1 41 ? 19.329 5.517 -14.261 1.00 25.42 ? 40 PHE D CZ 1 ATOM 9724 N N . THR D 1 42 ? 15.546 6.515 -10.023 1.00 20.86 ? 41 THR D N 1 ATOM 9725 C CA . THR D 1 42 ? 14.640 7.523 -10.587 1.00 20.21 ? 41 THR D CA 1 ATOM 9726 C C . THR D 1 42 ? 15.297 8.276 -11.732 1.00 20.55 ? 41 THR D C 1 ATOM 9727 O O . THR D 1 42 ? 16.339 8.927 -11.551 1.00 20.71 ? 41 THR D O 1 ATOM 9728 C CB . THR D 1 42 ? 14.216 8.504 -9.481 1.00 21.19 ? 41 THR D CB 1 ATOM 9729 O OG1 . THR D 1 42 ? 13.569 7.755 -8.450 1.00 21.11 ? 41 THR D OG1 1 ATOM 9730 C CG2 . THR D 1 42 ? 13.266 9.573 -10.045 1.00 20.76 ? 41 THR D CG2 1 ATOM 9731 N N . ILE D 1 43 ? 14.713 8.171 -12.916 1.00 19.21 ? 42 ILE D N 1 ATOM 9732 C CA . ILE D 1 43 ? 15.200 8.882 -14.096 1.00 19.32 ? 42 ILE D CA 1 ATOM 9733 C C . ILE D 1 43 ? 14.443 10.186 -14.374 1.00 18.88 ? 42 ILE D C 1 ATOM 9734 O O . ILE D 1 43 ? 14.965 11.092 -15.023 1.00 19.67 ? 42 ILE D O 1 ATOM 9735 C CB . ILE D 1 43 ? 15.277 7.935 -15.315 1.00 20.57 ? 42 ILE D CB 1 ATOM 9736 C CG1 . ILE D 1 43 ? 16.197 8.522 -16.379 1.00 22.09 ? 42 ILE D CG1 1 ATOM 9737 C CG2 . ILE D 1 43 ? 13.896 7.582 -15.875 1.00 19.89 ? 42 ILE D CG2 1 ATOM 9738 C CD1 . ILE D 1 43 ? 16.590 7.528 -17.469 1.00 23.70 ? 42 ILE D CD1 1 ATOM 9739 N N . TRP D 1 44 ? 13.227 10.292 -13.852 1.00 17.49 ? 43 TRP D N 1 ATOM 9740 C CA . TRP D 1 44 ? 12.471 11.544 -13.826 1.00 16.84 ? 43 TRP D CA 1 ATOM 9741 C C . TRP D 1 44 ? 11.675 11.577 -12.516 1.00 17.19 ? 43 TRP D C 1 ATOM 9742 O O . TRP D 1 44 ? 10.945 10.623 -12.236 1.00 15.20 ? 43 TRP D O 1 ATOM 9743 C CB . TRP D 1 44 ? 11.485 11.616 -14.994 1.00 16.71 ? 43 TRP D CB 1 ATOM 9744 C CG . TRP D 1 44 ? 10.700 12.876 -15.035 1.00 15.82 ? 43 TRP D CG 1 ATOM 9745 C CD1 . TRP D 1 44 ? 9.403 13.067 -14.617 1.00 15.66 ? 43 TRP D CD1 1 ATOM 9746 C CD2 . TRP D 1 44 ? 11.176 14.138 -15.474 1.00 16.05 ? 43 TRP D CD2 1 ATOM 9747 N NE1 . TRP D 1 44 ? 9.041 14.378 -14.803 1.00 15.95 ? 43 TRP D NE1 1 ATOM 9748 C CE2 . TRP D 1 44 ? 10.115 15.053 -15.341 1.00 16.32 ? 43 TRP D CE2 1 ATOM 9749 C CE3 . TRP D 1 44 ? 12.406 14.585 -16.004 1.00 17.33 ? 43 TRP D CE3 1 ATOM 9750 C CZ2 . TRP D 1 44 ? 10.241 16.392 -15.702 1.00 16.91 ? 43 TRP D CZ2 1 ATOM 9751 C CZ3 . TRP D 1 44 ? 12.531 15.913 -16.363 1.00 18.19 ? 43 TRP D CZ3 1 ATOM 9752 C CH2 . TRP D 1 44 ? 11.454 16.805 -16.197 1.00 18.14 ? 43 TRP D CH2 1 ATOM 9753 N N . LEU D 1 45 ? 11.774 12.625 -11.696 1.00 18.27 ? 44 LEU D N 1 ATOM 9754 C CA . LEU D 1 45 ? 12.606 13.815 -11.894 1.00 20.31 ? 44 LEU D CA 1 ATOM 9755 C C . LEU D 1 45 ? 13.786 13.763 -10.938 1.00 22.16 ? 44 LEU D C 1 ATOM 9756 O O . LEU D 1 45 ? 13.605 13.625 -9.721 1.00 22.89 ? 44 LEU D O 1 ATOM 9757 C CB . LEU D 1 45 ? 11.761 15.061 -11.610 1.00 20.34 ? 44 LEU D CB 1 ATOM 9758 C CG . LEU D 1 45 ? 12.492 16.413 -11.531 1.00 21.56 ? 44 LEU D CG 1 ATOM 9759 C CD1 . LEU D 1 45 ? 13.157 16.712 -12.865 1.00 21.98 ? 44 LEU D CD1 1 ATOM 9760 C CD2 . LEU D 1 45 ? 11.486 17.510 -11.190 1.00 22.33 ? 44 LEU D CD2 1 ATOM 9761 N N . ASN D 1 46 ? 14.992 13.843 -11.481 1.00 24.74 ? 45 ASN D N 1 ATOM 9762 C CA . ASN D 1 46 ? 16.196 13.965 -10.663 1.00 27.65 ? 45 ASN D CA 1 ATOM 9763 C C . ASN D 1 46 ? 17.063 15.014 -11.306 1.00 29.57 ? 45 ASN D C 1 ATOM 9764 O O . ASN D 1 46 ? 17.595 14.832 -12.407 1.00 27.55 ? 45 ASN D O 1 ATOM 9765 C CB . ASN D 1 46 ? 16.945 12.655 -10.515 1.00 30.38 ? 45 ASN D CB 1 ATOM 9766 C CG . ASN D 1 46 ? 18.278 12.825 -9.748 1.00 33.22 ? 45 ASN D CG 1 ATOM 9767 O OD1 . ASN D 1 46 ? 18.742 13.932 -9.494 1.00 38.67 ? 45 ASN D OD1 1 ATOM 9768 N ND2 . ASN D 1 46 ? 18.863 11.734 -9.379 1.00 36.19 ? 45 ASN D ND2 1 ATOM 9769 N N . LEU D 1 47 ? 17.185 16.134 -10.604 1.00 33.60 ? 46 LEU D N 1 ATOM 9770 C CA . LEU D 1 47 ? 17.840 17.330 -11.147 1.00 36.85 ? 46 LEU D CA 1 ATOM 9771 C C . LEU D 1 47 ? 19.329 17.114 -11.442 1.00 36.43 ? 46 LEU D C 1 ATOM 9772 O O . LEU D 1 47 ? 19.878 17.714 -12.350 1.00 36.65 ? 46 LEU D O 1 ATOM 9773 C CB . LEU D 1 47 ? 17.690 18.493 -10.157 1.00 39.18 ? 46 LEU D CB 1 ATOM 9774 C CG . LEU D 1 47 ? 16.261 18.959 -9.890 1.00 40.43 ? 46 LEU D CG 1 ATOM 9775 C CD1 . LEU D 1 47 ? 16.283 19.998 -8.773 1.00 41.57 ? 46 LEU D CD1 1 ATOM 9776 C CD2 . LEU D 1 47 ? 15.649 19.517 -11.164 1.00 41.42 ? 46 LEU D CD2 1 ATOM 9777 N N . GLU D 1 48 ? 19.958 16.221 -10.703 1.00 38.88 ? 47 GLU D N 1 ATOM 9778 C CA . GLU D 1 48 ? 21.388 15.979 -10.898 1.00 42.24 ? 47 GLU D CA 1 ATOM 9779 C C . GLU D 1 48 ? 21.703 15.282 -12.227 1.00 39.98 ? 47 GLU D C 1 ATOM 9780 O O . GLU D 1 48 ? 22.833 15.345 -12.704 1.00 38.92 ? 47 GLU D O 1 ATOM 9781 C CB . GLU D 1 48 ? 21.932 15.191 -9.731 1.00 46.46 ? 47 GLU D CB 1 ATOM 9782 C CG . GLU D 1 48 ? 21.897 16.016 -8.458 1.00 52.59 ? 47 GLU D CG 1 ATOM 9783 C CD . GLU D 1 48 ? 22.449 15.280 -7.267 1.00 59.01 ? 47 GLU D CD 1 ATOM 9784 O OE1 . GLU D 1 48 ? 22.374 14.035 -7.243 1.00 67.34 ? 47 GLU D OE1 1 ATOM 9785 O OE2 . GLU D 1 48 ? 22.952 15.957 -6.348 1.00 66.21 ? 47 GLU D OE2 1 ATOM 9786 N N . LEU D 1 49 ? 20.693 14.661 -12.852 1.00 35.46 ? 48 LEU D N 1 ATOM 9787 C CA . LEU D 1 49 ? 20.900 13.989 -14.137 1.00 33.48 ? 48 LEU D CA 1 ATOM 9788 C C . LEU D 1 49 ? 20.833 14.960 -15.312 1.00 31.78 ? 48 LEU D C 1 ATOM 9789 O O . LEU D 1 49 ? 21.137 14.579 -16.452 1.00 29.40 ? 48 LEU D O 1 ATOM 9790 C CB . LEU D 1 49 ? 19.865 12.874 -14.324 1.00 33.39 ? 48 LEU D CB 1 ATOM 9791 C CG . LEU D 1 49 ? 19.742 11.844 -13.202 1.00 33.33 ? 48 LEU D CG 1 ATOM 9792 C CD1 . LEU D 1 49 ? 18.664 10.823 -13.553 1.00 33.80 ? 48 LEU D CD1 1 ATOM 9793 C CD2 . LEU D 1 49 ? 21.072 11.148 -12.919 1.00 34.18 ? 48 LEU D CD2 1 ATOM 9794 N N . LEU D 1 50 ? 20.404 16.202 -15.051 1.00 31.83 ? 49 LEU D N 1 ATOM 9795 C CA . LEU D 1 50 ? 20.162 17.189 -16.109 1.00 32.83 ? 49 LEU D CA 1 ATOM 9796 C C . LEU D 1 50 ? 21.281 18.249 -16.242 1.00 35.27 ? 49 LEU D C 1 ATOM 9797 O O . LEU D 1 50 ? 21.207 19.142 -17.092 1.00 37.18 ? 49 LEU D O 1 ATOM 9798 C CB . LEU D 1 50 ? 18.812 17.879 -15.861 1.00 32.86 ? 49 LEU D CB 1 ATOM 9799 C CG . LEU D 1 50 ? 17.634 16.920 -15.606 1.00 32.26 ? 49 LEU D CG 1 ATOM 9800 C CD1 . LEU D 1 50 ? 16.340 17.663 -15.282 1.00 31.45 ? 49 LEU D CD1 1 ATOM 9801 C CD2 . LEU D 1 50 ? 17.439 16.034 -16.830 1.00 31.35 ? 49 LEU D CD2 1 ATOM 9802 N N . LEU D 1 51 ? 22.334 18.108 -15.452 1.00 36.62 ? 50 LEU D N 1 ATOM 9803 C CA . LEU D 1 51 ? 23.483 19.034 -15.524 1.00 38.63 ? 50 LEU D CA 1 ATOM 9804 C C . LEU D 1 51 ? 24.248 18.874 -16.848 1.00 38.47 ? 50 LEU D C 1 ATOM 9805 O O . LEU D 1 51 ? 24.177 17.823 -17.484 1.00 36.32 ? 50 LEU D O 1 ATOM 9806 C CB . LEU D 1 51 ? 24.411 18.780 -14.342 1.00 40.46 ? 50 LEU D CB 1 ATOM 9807 C CG . LEU D 1 51 ? 23.811 19.021 -12.946 1.00 42.36 ? 50 LEU D CG 1 ATOM 9808 C CD1 . LEU D 1 51 ? 24.639 18.361 -11.851 1.00 42.97 ? 50 LEU D CD1 1 ATOM 9809 C CD2 . LEU D 1 51 ? 23.650 20.511 -12.670 1.00 43.93 ? 50 LEU D CD2 1 ATOM 9810 N N . PRO D 1 52 ? 25.008 19.906 -17.270 1.00 38.65 ? 51 PRO D N 1 ATOM 9811 C CA . PRO D 1 52 ? 25.814 19.762 -18.490 1.00 38.69 ? 51 PRO D CA 1 ATOM 9812 C C . PRO D 1 52 ? 26.667 18.474 -18.509 1.00 37.87 ? 51 PRO D C 1 ATOM 9813 O O . PRO D 1 52 ? 27.147 18.052 -17.459 1.00 36.87 ? 51 PRO D O 1 ATOM 9814 C CB . PRO D 1 52 ? 26.718 21.004 -18.466 1.00 40.22 ? 51 PRO D CB 1 ATOM 9815 C CG . PRO D 1 52 ? 25.961 22.004 -17.657 1.00 40.16 ? 51 PRO D CG 1 ATOM 9816 C CD . PRO D 1 52 ? 25.176 21.228 -16.643 1.00 39.51 ? 51 PRO D CD 1 ATOM 9817 N N . VAL D 1 53 ? 26.821 17.869 -19.697 1.00 36.92 ? 52 VAL D N 1 ATOM 9818 C CA . VAL D 1 53 ? 27.558 16.601 -19.918 1.00 37.81 ? 52 VAL D CA 1 ATOM 9819 C C . VAL D 1 53 ? 26.813 15.365 -19.392 1.00 35.96 ? 52 VAL D C 1 ATOM 9820 O O . VAL D 1 53 ? 26.540 14.439 -20.160 1.00 34.86 ? 52 VAL D O 1 ATOM 9821 C CB . VAL D 1 53 ? 28.992 16.623 -19.346 1.00 40.12 ? 52 VAL D CB 1 ATOM 9822 C CG1 . VAL D 1 53 ? 29.765 15.362 -19.747 1.00 41.06 ? 52 VAL D CG1 1 ATOM 9823 C CG2 . VAL D 1 53 ? 29.731 17.866 -19.841 1.00 41.67 ? 52 VAL D CG2 1 ATOM 9824 N N . ILE D 1 54 ? 26.498 15.352 -18.095 1.00 35.19 ? 53 ILE D N 1 ATOM 9825 C CA . ILE D 1 54 ? 25.690 14.286 -17.488 1.00 35.50 ? 53 ILE D CA 1 ATOM 9826 C C . ILE D 1 54 ? 24.351 14.150 -18.242 1.00 33.00 ? 53 ILE D C 1 ATOM 9827 O O . ILE D 1 54 ? 23.813 13.043 -18.392 1.00 31.82 ? 53 ILE D O 1 ATOM 9828 C CB . ILE D 1 54 ? 25.428 14.572 -15.967 1.00 36.85 ? 53 ILE D CB 1 ATOM 9829 C CG1 . ILE D 1 54 ? 26.724 14.817 -15.166 1.00 39.81 ? 53 ILE D CG1 1 ATOM 9830 C CG2 . ILE D 1 54 ? 24.595 13.485 -15.308 1.00 37.45 ? 53 ILE D CG2 1 ATOM 9831 C CD1 . ILE D 1 54 ? 27.875 13.931 -15.531 1.00 42.02 ? 53 ILE D CD1 1 ATOM 9832 N N . ILE D 1 55 ? 23.817 15.269 -18.736 1.00 31.09 ? 54 ILE D N 1 ATOM 9833 C CA . ILE D 1 55 ? 22.550 15.235 -19.466 1.00 30.44 ? 54 ILE D CA 1 ATOM 9834 C C . ILE D 1 55 ? 22.619 14.332 -20.701 1.00 28.63 ? 54 ILE D C 1 ATOM 9835 O O . ILE D 1 55 ? 21.599 13.810 -21.127 1.00 25.73 ? 54 ILE D O 1 ATOM 9836 C CB . ILE D 1 55 ? 22.026 16.648 -19.846 1.00 32.45 ? 54 ILE D CB 1 ATOM 9837 C CG1 . ILE D 1 55 ? 20.566 16.554 -20.319 1.00 34.38 ? 54 ILE D CG1 1 ATOM 9838 C CG2 . ILE D 1 55 ? 22.897 17.286 -20.917 1.00 33.68 ? 54 ILE D CG2 1 ATOM 9839 C CD1 . ILE D 1 55 ? 19.758 17.815 -20.103 1.00 36.52 ? 54 ILE D CD1 1 ATOM 9840 N N . ASP D 1 56 ? 23.808 14.142 -21.286 1.00 28.19 ? 55 ASP D N 1 ATOM 9841 C CA . ASP D 1 56 ? 23.913 13.238 -22.433 1.00 28.18 ? 55 ASP D CA 1 ATOM 9842 C C . ASP D 1 56 ? 23.608 11.782 -22.011 1.00 26.05 ? 55 ASP D C 1 ATOM 9843 O O . ASP D 1 56 ? 23.035 11.016 -22.807 1.00 24.49 ? 55 ASP D O 1 ATOM 9844 C CB . ASP D 1 56 ? 25.304 13.291 -23.094 1.00 30.76 ? 55 ASP D CB 1 ATOM 9845 C CG . ASP D 1 56 ? 25.631 14.661 -23.700 1.00 33.49 ? 55 ASP D CG 1 ATOM 9846 O OD1 . ASP D 1 56 ? 24.733 15.337 -24.238 1.00 34.90 ? 55 ASP D OD1 1 ATOM 9847 O OD2 . ASP D 1 56 ? 26.817 15.038 -23.639 1.00 37.03 ? 55 ASP D OD2 1 ATOM 9848 N N . CYS D 1 57 ? 24.039 11.406 -20.805 1.00 25.51 ? 56 CYS D N 1 ATOM 9849 C CA . CYS D 1 57 ? 23.730 10.086 -20.242 1.00 26.04 ? 56 CYS D CA 1 ATOM 9850 C C . CYS D 1 57 ? 22.203 9.934 -20.082 1.00 24.65 ? 56 CYS D C 1 ATOM 9851 O O . CYS D 1 57 ? 21.618 8.909 -20.423 1.00 23.39 ? 56 CYS D O 1 ATOM 9852 C CB . CYS D 1 57 ? 24.372 9.896 -18.872 1.00 28.35 ? 56 CYS D CB 1 ATOM 9853 S SG . CYS D 1 57 ? 26.147 10.252 -18.784 1.00 32.42 ? 56 CYS D SG 1 ATOM 9854 N N . TRP D 1 58 ? 21.576 10.973 -19.548 1.00 23.43 ? 57 TRP D N 1 ATOM 9855 C CA . TRP D 1 58 ? 20.135 10.975 -19.334 1.00 22.77 ? 57 TRP D CA 1 ATOM 9856 C C . TRP D 1 58 ? 19.381 10.843 -20.659 1.00 22.81 ? 57 TRP D C 1 ATOM 9857 O O . TRP D 1 58 ? 18.485 10.006 -20.776 1.00 22.97 ? 57 TRP D O 1 ATOM 9858 C CB . TRP D 1 58 ? 19.734 12.248 -18.596 1.00 22.72 ? 57 TRP D CB 1 ATOM 9859 C CG . TRP D 1 58 ? 18.265 12.378 -18.310 1.00 22.68 ? 57 TRP D CG 1 ATOM 9860 C CD1 . TRP D 1 58 ? 17.570 11.776 -17.300 1.00 22.55 ? 57 TRP D CD1 1 ATOM 9861 C CD2 . TRP D 1 58 ? 17.324 13.178 -19.027 1.00 22.65 ? 57 TRP D CD2 1 ATOM 9862 N NE1 . TRP D 1 58 ? 16.253 12.156 -17.345 1.00 21.48 ? 57 TRP D NE1 1 ATOM 9863 C CE2 . TRP D 1 58 ? 16.072 13.017 -18.393 1.00 21.95 ? 57 TRP D CE2 1 ATOM 9864 C CE3 . TRP D 1 58 ? 17.409 14.006 -20.158 1.00 23.29 ? 57 TRP D CE3 1 ATOM 9865 C CZ2 . TRP D 1 58 ? 14.909 13.661 -18.853 1.00 23.31 ? 57 TRP D CZ2 1 ATOM 9866 C CZ3 . TRP D 1 58 ? 16.260 14.638 -20.623 1.00 23.89 ? 57 TRP D CZ3 1 ATOM 9867 C CH2 . TRP D 1 58 ? 15.022 14.471 -19.966 1.00 23.78 ? 57 TRP D CH2 1 ATOM 9868 N N . ILE D 1 59 ? 19.744 11.663 -21.643 1.00 22.52 ? 58 ILE D N 1 ATOM 9869 C CA . ILE D 1 59 ? 19.156 11.586 -22.982 1.00 22.83 ? 58 ILE D CA 1 ATOM 9870 C C . ILE D 1 59 ? 19.308 10.173 -23.557 1.00 23.36 ? 58 ILE D C 1 ATOM 9871 O O . ILE D 1 59 ? 18.345 9.612 -24.113 1.00 22.86 ? 58 ILE D O 1 ATOM 9872 C CB . ILE D 1 59 ? 19.773 12.633 -23.960 1.00 24.41 ? 58 ILE D CB 1 ATOM 9873 C CG1 . ILE D 1 59 ? 19.367 14.044 -23.486 1.00 25.35 ? 58 ILE D CG1 1 ATOM 9874 C CG2 . ILE D 1 59 ? 19.339 12.358 -25.402 1.00 24.50 ? 58 ILE D CG2 1 ATOM 9875 C CD1 . ILE D 1 59 ? 20.003 15.191 -24.246 1.00 27.14 ? 58 ILE D CD1 1 ATOM 9876 N N . ASP D 1 60 ? 20.490 9.587 -23.399 1.00 22.48 ? 59 ASP D N 1 ATOM 9877 C CA . ASP D 1 60 ? 20.738 8.253 -23.945 1.00 22.96 ? 59 ASP D CA 1 ATOM 9878 C C . ASP D 1 60 ? 19.847 7.185 -23.309 1.00 22.25 ? 59 ASP D C 1 ATOM 9879 O O . ASP D 1 60 ? 19.562 6.181 -23.968 1.00 22.82 ? 59 ASP D O 1 ATOM 9880 C CB . ASP D 1 60 ? 22.217 7.838 -23.821 1.00 24.29 ? 59 ASP D CB 1 ATOM 9881 C CG . ASP D 1 60 ? 22.584 6.685 -24.757 1.00 25.66 ? 59 ASP D CG 1 ATOM 9882 O OD1 . ASP D 1 60 ? 22.241 6.766 -25.948 1.00 26.00 ? 59 ASP D OD1 1 ATOM 9883 O OD2 . ASP D 1 60 ? 23.189 5.683 -24.303 1.00 27.77 ? 59 ASP D OD2 1 ATOM 9884 N N . ASN D 1 61 ? 19.399 7.409 -22.067 1.00 20.57 ? 60 ASN D N 1 ATOM 9885 C CA . ASN D 1 61 ? 18.555 6.459 -21.357 1.00 20.25 ? 60 ASN D CA 1 ATOM 9886 C C . ASN D 1 61 ? 17.049 6.724 -21.510 1.00 19.93 ? 60 ASN D C 1 ATOM 9887 O O . ASN D 1 61 ? 16.268 5.777 -21.543 1.00 18.62 ? 60 ASN D O 1 ATOM 9888 C CB . ASN D 1 61 ? 18.897 6.434 -19.856 1.00 20.21 ? 60 ASN D CB 1 ATOM 9889 C CG . ASN D 1 61 ? 20.249 5.785 -19.572 1.00 21.02 ? 60 ASN D CG 1 ATOM 9890 O OD1 . ASN D 1 61 ? 20.658 4.858 -20.271 1.00 21.11 ? 60 ASN D OD1 1 ATOM 9891 N ND2 . ASN D 1 61 ? 20.916 6.229 -18.514 1.00 20.89 ? 60 ASN D ND2 1 ATOM 9892 N N . ILE D 1 62 ? 16.664 7.993 -21.582 1.00 19.74 ? 61 ILE D N 1 ATOM 9893 C CA . ILE D 1 62 ? 15.236 8.356 -21.572 1.00 20.59 ? 61 ILE D CA 1 ATOM 9894 C C . ILE D 1 62 ? 14.655 8.585 -22.972 1.00 20.35 ? 61 ILE D C 1 ATOM 9895 O O . ILE D 1 62 ? 13.406 8.623 -23.129 1.00 20.55 ? 61 ILE D O 1 ATOM 9896 C CB . ILE D 1 62 ? 14.963 9.583 -20.675 1.00 21.28 ? 61 ILE D CB 1 ATOM 9897 C CG1 . ILE D 1 62 ? 13.508 9.561 -20.171 1.00 21.93 ? 61 ILE D CG1 1 ATOM 9898 C CG2 . ILE D 1 62 ? 15.313 10.862 -21.427 1.00 21.89 ? 61 ILE D CG2 1 ATOM 9899 C CD1 . ILE D 1 62 ? 13.224 10.551 -19.064 1.00 23.15 ? 61 ILE D CD1 1 ATOM 9900 N N . ARG D 1 63 ? 15.518 8.687 -23.985 1.00 20.22 ? 62 ARG D N 1 ATOM 9901 C CA . ARG D 1 63 ? 15.041 8.712 -25.376 1.00 21.42 ? 62 ARG D CA 1 ATOM 9902 C C . ARG D 1 63 ? 14.317 7.415 -25.726 1.00 20.97 ? 62 ARG D C 1 ATOM 9903 O O . ARG D 1 63 ? 14.598 6.358 -25.150 1.00 20.29 ? 62 ARG D O 1 ATOM 9904 C CB . ARG D 1 63 ? 16.194 8.937 -26.364 1.00 23.46 ? 62 ARG D CB 1 ATOM 9905 C CG . ARG D 1 63 ? 17.103 7.728 -26.525 1.00 25.48 ? 62 ARG D CG 1 ATOM 9906 C CD . ARG D 1 63 ? 18.396 8.078 -27.252 1.00 28.83 ? 62 ARG D CD 1 ATOM 9907 N NE . ARG D 1 63 ? 19.328 6.950 -27.235 1.00 30.69 ? 62 ARG D NE 1 ATOM 9908 C CZ . ARG D 1 63 ? 19.384 5.976 -28.142 1.00 33.01 ? 62 ARG D CZ 1 ATOM 9909 N NH1 . ARG D 1 63 ? 18.595 5.973 -29.214 1.00 33.32 ? 62 ARG D NH1 1 ATOM 9910 N NH2 . ARG D 1 63 ? 20.278 5.007 -27.989 1.00 35.63 ? 62 ARG D NH2 1 ATOM 9911 N N . LEU D 1 64 ? 13.344 7.515 -26.641 1.00 20.90 ? 63 LEU D N 1 ATOM 9912 C CA . LEU D 1 64 ? 12.718 6.359 -27.272 1.00 19.95 ? 63 LEU D CA 1 ATOM 9913 C C . LEU D 1 64 ? 13.327 6.136 -28.662 1.00 20.32 ? 63 LEU D C 1 ATOM 9914 O O . LEU D 1 64 ? 13.710 7.087 -29.346 1.00 20.49 ? 63 LEU D O 1 ATOM 9915 C CB . LEU D 1 64 ? 11.201 6.556 -27.385 1.00 19.48 ? 63 LEU D CB 1 ATOM 9916 C CG . LEU D 1 64 ? 10.340 6.601 -26.125 1.00 20.24 ? 63 LEU D CG 1 ATOM 9917 C CD1 . LEU D 1 64 ? 8.877 6.861 -26.513 1.00 19.44 ? 63 LEU D CD1 1 ATOM 9918 C CD2 . LEU D 1 64 ? 10.453 5.308 -25.344 1.00 21.30 ? 63 LEU D CD2 1 ATOM 9919 N N . VAL D 1 65 ? 13.487 4.886 -29.039 1.00 20.73 ? 64 VAL D N 1 ATOM 9920 C CA . VAL D 1 65 ? 13.951 4.508 -30.368 1.00 21.62 ? 64 VAL D CA 1 ATOM 9921 C C . VAL D 1 65 ? 12.722 4.174 -31.216 1.00 21.72 ? 64 VAL D C 1 ATOM 9922 O O . VAL D 1 65 ? 11.908 3.349 -30.804 1.00 22.69 ? 64 VAL D O 1 ATOM 9923 C CB . VAL D 1 65 ? 14.845 3.261 -30.280 1.00 23.24 ? 64 VAL D CB 1 ATOM 9924 C CG1 . VAL D 1 65 ? 15.264 2.778 -31.662 1.00 25.10 ? 64 VAL D CG1 1 ATOM 9925 C CG2 . VAL D 1 65 ? 16.079 3.542 -29.425 1.00 24.21 ? 64 VAL D CG2 1 ATOM 9926 N N . TYR D 1 66 ? 12.567 4.803 -32.374 1.00 21.25 ? 65 TYR D N 1 ATOM 9927 C CA . TYR D 1 66 ? 11.442 4.491 -33.257 1.00 21.11 ? 65 TYR D CA 1 ATOM 9928 C C . TYR D 1 66 ? 11.850 3.410 -34.273 1.00 22.41 ? 65 TYR D C 1 ATOM 9929 O O . TYR D 1 66 ? 12.813 3.558 -34.997 1.00 22.15 ? 65 TYR D O 1 ATOM 9930 C CB . TYR D 1 66 ? 10.922 5.742 -33.989 1.00 21.14 ? 65 TYR D CB 1 ATOM 9931 C CG . TYR D 1 66 ? 9.594 5.468 -34.686 1.00 20.85 ? 65 TYR D CG 1 ATOM 9932 C CD1 . TYR D 1 66 ? 8.390 5.511 -33.975 1.00 20.99 ? 65 TYR D CD1 1 ATOM 9933 C CD2 . TYR D 1 66 ? 9.551 5.070 -36.022 1.00 21.47 ? 65 TYR D CD2 1 ATOM 9934 C CE1 . TYR D 1 66 ? 7.182 5.199 -34.582 1.00 21.39 ? 65 TYR D CE1 1 ATOM 9935 C CE2 . TYR D 1 66 ? 8.340 4.792 -36.637 1.00 22.23 ? 65 TYR D CE2 1 ATOM 9936 C CZ . TYR D 1 66 ? 7.160 4.859 -35.922 1.00 21.57 ? 65 TYR D CZ 1 ATOM 9937 O OH . TYR D 1 66 ? 5.964 4.560 -36.546 1.00 22.89 ? 65 TYR D OH 1 ATOM 9938 N N . ASN D 1 67 ? 11.116 2.317 -34.283 1.00 22.27 ? 66 ASN D N 1 ATOM 9939 C CA . ASN D 1 67 ? 11.397 1.201 -35.178 1.00 24.76 ? 66 ASN D CA 1 ATOM 9940 C C . ASN D 1 67 ? 10.418 1.254 -36.340 1.00 25.14 ? 66 ASN D C 1 ATOM 9941 O O . ASN D 1 67 ? 9.220 1.051 -36.162 1.00 25.16 ? 66 ASN D O 1 ATOM 9942 C CB . ASN D 1 67 ? 11.259 -0.069 -34.363 1.00 25.03 ? 66 ASN D CB 1 ATOM 9943 C CG . ASN D 1 67 ? 11.572 -1.315 -35.137 1.00 27.73 ? 66 ASN D CG 1 ATOM 9944 O OD1 . ASN D 1 67 ? 11.320 -1.412 -36.365 1.00 26.84 ? 66 ASN D OD1 1 ATOM 9945 N ND2 . ASN D 1 67 ? 12.134 -2.293 -34.411 1.00 29.18 ? 66 ASN D ND2 1 ATOM 9946 N N . LYS D 1 68 ? 10.925 1.573 -37.524 1.00 28.04 ? 67 LYS D N 1 ATOM 9947 C CA . LYS D 1 68 ? 10.080 1.775 -38.709 1.00 30.06 ? 67 LYS D CA 1 ATOM 9948 C C . LYS D 1 68 ? 9.423 0.477 -39.200 1.00 32.89 ? 67 LYS D C 1 ATOM 9949 O O . LYS D 1 68 ? 8.377 0.533 -39.822 1.00 32.87 ? 67 LYS D O 1 ATOM 9950 C CB . LYS D 1 68 ? 10.885 2.372 -39.867 1.00 33.04 ? 67 LYS D CB 1 ATOM 9951 C CG . LYS D 1 68 ? 11.419 3.773 -39.633 1.00 34.43 ? 67 LYS D CG 1 ATOM 9952 C CD . LYS D 1 68 ? 12.256 4.208 -40.824 1.00 37.65 ? 67 LYS D CD 1 ATOM 9953 C CE . LYS D 1 68 ? 12.614 5.684 -40.788 1.00 40.37 ? 67 LYS D CE 1 ATOM 9954 N NZ . LYS D 1 68 ? 13.653 5.998 -39.767 1.00 42.81 ? 67 LYS D NZ 1 ATOM 9955 N N . THR D 1 69 ? 10.024 -0.673 -38.895 1.00 34.36 ? 68 THR D N 1 ATOM 9956 C CA . THR D 1 69 ? 9.460 -1.988 -39.260 1.00 37.58 ? 68 THR D CA 1 ATOM 9957 C C . THR D 1 69 ? 8.227 -2.329 -38.432 1.00 36.75 ? 68 THR D C 1 ATOM 9958 O O . THR D 1 69 ? 7.173 -2.653 -38.974 1.00 39.77 ? 68 THR D O 1 ATOM 9959 C CB . THR D 1 69 ? 10.496 -3.118 -39.057 1.00 37.88 ? 68 THR D CB 1 ATOM 9960 O OG1 . THR D 1 69 ? 11.690 -2.795 -39.771 1.00 39.92 ? 68 THR D OG1 1 ATOM 9961 C CG2 . THR D 1 69 ? 9.952 -4.465 -39.544 1.00 40.05 ? 68 THR D CG2 1 ATOM 9962 N N . SER D 1 70 ? 8.345 -2.224 -37.118 1.00 34.95 ? 69 SER D N 1 ATOM 9963 C CA . SER D 1 70 ? 7.218 -2.484 -36.251 1.00 31.49 ? 69 SER D CA 1 ATOM 9964 C C . SER D 1 70 ? 6.278 -1.283 -36.119 1.00 29.89 ? 69 SER D C 1 ATOM 9965 O O . SER D 1 70 ? 5.196 -1.443 -35.593 1.00 28.62 ? 69 SER D O 1 ATOM 9966 C CB . SER D 1 70 ? 7.706 -2.905 -34.880 1.00 32.42 ? 69 SER D CB 1 ATOM 9967 O OG . SER D 1 70 ? 8.449 -1.860 -34.280 1.00 31.87 ? 69 SER D OG 1 ATOM 9968 N N . ARG D 1 71 ? 6.683 -0.098 -36.583 1.00 28.01 ? 70 ARG D N 1 ATOM 9969 C CA . ARG D 1 71 ? 5.938 1.143 -36.344 1.00 27.91 ? 70 ARG D CA 1 ATOM 9970 C C . ARG D 1 71 ? 5.631 1.309 -34.852 1.00 26.45 ? 70 ARG D C 1 ATOM 9971 O O . ARG D 1 71 ? 4.506 1.571 -34.457 1.00 26.70 ? 70 ARG D O 1 ATOM 9972 C CB . ARG D 1 71 ? 4.649 1.228 -37.181 1.00 28.46 ? 70 ARG D CB 1 ATOM 9973 C CG . ARG D 1 71 ? 4.876 1.181 -38.688 1.00 29.43 ? 70 ARG D CG 1 ATOM 9974 C CD . ARG D 1 71 ? 5.555 2.426 -39.215 1.00 29.51 ? 70 ARG D CD 1 ATOM 9975 N NE . ARG D 1 71 ? 4.699 3.607 -39.074 1.00 29.09 ? 70 ARG D NE 1 ATOM 9976 C CZ . ARG D 1 71 ? 3.982 4.175 -40.040 1.00 29.55 ? 70 ARG D CZ 1 ATOM 9977 N NH1 . ARG D 1 71 ? 4.029 3.712 -41.278 1.00 29.51 ? 70 ARG D NH1 1 ATOM 9978 N NH2 . ARG D 1 71 ? 3.251 5.258 -39.786 1.00 29.25 ? 70 ARG D NH2 1 ATOM 9979 N N . ALA D 1 72 ? 6.659 1.144 -34.033 1.00 25.01 ? 71 ALA D N 1 ATOM 9980 C CA . ALA D 1 72 ? 6.514 1.197 -32.595 1.00 23.38 ? 71 ALA D CA 1 ATOM 9981 C C . ALA D 1 72 ? 7.799 1.766 -31.992 1.00 23.41 ? 71 ALA D C 1 ATOM 9982 O O . ALA D 1 72 ? 8.855 1.648 -32.597 1.00 23.29 ? 71 ALA D O 1 ATOM 9983 C CB . ALA D 1 72 ? 6.233 -0.194 -32.065 1.00 24.44 ? 71 ALA D CB 1 ATOM 9984 N N . THR D 1 73 ? 7.711 2.304 -30.770 1.00 22.61 ? 72 THR D N 1 ATOM 9985 C CA . THR D 1 73 ? 8.898 2.724 -30.059 1.00 22.02 ? 72 THR D CA 1 ATOM 9986 C C . THR D 1 73 ? 9.424 1.616 -29.185 1.00 22.76 ? 72 THR D C 1 ATOM 9987 O O . THR D 1 73 ? 8.698 0.702 -28.800 1.00 23.69 ? 72 THR D O 1 ATOM 9988 C CB . THR D 1 73 ? 8.670 3.970 -29.202 1.00 21.86 ? 72 THR D CB 1 ATOM 9989 O OG1 . THR D 1 73 ? 7.559 3.750 -28.312 1.00 22.10 ? 72 THR D OG1 1 ATOM 9990 C CG2 . THR D 1 73 ? 8.426 5.129 -30.081 1.00 21.95 ? 72 THR D CG2 1 ATOM 9991 N N . GLN D 1 74 ? 10.723 1.669 -28.911 1.00 22.47 ? 73 GLN D N 1 ATOM 9992 C CA . GLN D 1 74 ? 11.351 0.739 -27.990 1.00 22.39 ? 73 GLN D CA 1 ATOM 9993 C C . GLN D 1 74 ? 12.372 1.505 -27.163 1.00 21.35 ? 73 GLN D C 1 ATOM 9994 O O . GLN D 1 74 ? 12.774 2.620 -27.515 1.00 20.23 ? 73 GLN D O 1 ATOM 9995 C CB . GLN D 1 74 ? 11.970 -0.460 -28.740 1.00 25.12 ? 73 GLN D CB 1 ATOM 9996 C CG . GLN D 1 74 ? 12.725 -0.086 -29.988 1.00 27.03 ? 73 GLN D CG 1 ATOM 9997 C CD . GLN D 1 74 ? 13.129 -1.265 -30.855 1.00 27.23 ? 73 GLN D CD 1 ATOM 9998 O OE1 . GLN D 1 74 ? 12.316 -1.896 -31.531 1.00 27.22 ? 73 GLN D OE1 1 ATOM 9999 N NE2 . GLN D 1 74 ? 14.412 -1.556 -30.841 1.00 28.01 ? 73 GLN D NE2 1 ATOM 10000 N N . PHE D 1 75 ? 12.760 0.941 -26.028 1.00 21.42 ? 74 PHE D N 1 ATOM 10001 C CA . PHE D 1 75 ? 13.792 1.574 -25.203 1.00 21.54 ? 74 PHE D CA 1 ATOM 10002 C C . PHE D 1 75 ? 15.167 1.302 -25.841 1.00 21.84 ? 74 PHE D C 1 ATOM 10003 O O . PHE D 1 75 ? 15.329 0.348 -26.592 1.00 22.86 ? 74 PHE D O 1 ATOM 10004 C CB . PHE D 1 75 ? 13.761 1.030 -23.771 1.00 22.35 ? 74 PHE D CB 1 ATOM 10005 C CG . PHE D 1 75 ? 12.392 1.053 -23.119 1.00 22.60 ? 74 PHE D CG 1 ATOM 10006 C CD1 . PHE D 1 75 ? 11.497 2.083 -23.362 1.00 23.20 ? 74 PHE D CD1 1 ATOM 10007 C CD2 . PHE D 1 75 ? 12.016 0.030 -22.261 1.00 23.81 ? 74 PHE D CD2 1 ATOM 10008 C CE1 . PHE D 1 75 ? 10.239 2.073 -22.777 1.00 24.02 ? 74 PHE D CE1 1 ATOM 10009 C CE2 . PHE D 1 75 ? 10.776 0.038 -21.633 1.00 23.41 ? 74 PHE D CE2 1 ATOM 10010 C CZ . PHE D 1 75 ? 9.887 1.044 -21.903 1.00 24.45 ? 74 PHE D CZ 1 ATOM 10011 N N . PRO D 1 76 ? 16.173 2.142 -25.548 1.00 22.47 ? 75 PRO D N 1 ATOM 10012 C CA . PRO D 1 76 ? 17.529 1.805 -25.991 1.00 22.63 ? 75 PRO D CA 1 ATOM 10013 C C . PRO D 1 76 ? 18.005 0.441 -25.488 1.00 23.04 ? 75 PRO D C 1 ATOM 10014 O O . PRO D 1 76 ? 17.500 -0.062 -24.485 1.00 21.22 ? 75 PRO D O 1 ATOM 10015 C CB . PRO D 1 76 ? 18.377 2.925 -25.408 1.00 23.32 ? 75 PRO D CB 1 ATOM 10016 C CG . PRO D 1 76 ? 17.419 4.059 -25.238 1.00 22.64 ? 75 PRO D CG 1 ATOM 10017 C CD . PRO D 1 76 ? 16.134 3.416 -24.814 1.00 21.77 ? 75 PRO D CD 1 ATOM 10018 N N . ASP D 1 77 ? 18.978 -0.154 -26.183 1.00 24.78 ? 76 ASP D N 1 ATOM 10019 C CA . ASP D 1 77 ? 19.515 -1.440 -25.786 1.00 27.69 ? 76 ASP D CA 1 ATOM 10020 C C . ASP D 1 77 ? 19.946 -1.408 -24.334 1.00 25.65 ? 76 ASP D C 1 ATOM 10021 O O . ASP D 1 77 ? 20.698 -0.530 -23.931 1.00 25.33 ? 76 ASP D O 1 ATOM 10022 C CB . ASP D 1 77 ? 20.742 -1.843 -26.644 1.00 33.78 ? 76 ASP D CB 1 ATOM 10023 C CG . ASP D 1 77 ? 20.395 -2.053 -28.114 1.00 40.21 ? 76 ASP D CG 1 ATOM 10024 O OD1 . ASP D 1 77 ? 19.195 -2.259 -28.430 1.00 45.67 ? 76 ASP D OD1 1 ATOM 10025 O OD2 . ASP D 1 77 ? 21.326 -2.021 -28.958 1.00 48.57 ? 76 ASP D OD2 1 ATOM 10026 N N . GLY D 1 78 ? 19.516 -2.410 -23.579 1.00 24.01 ? 77 GLY D N 1 ATOM 10027 C CA . GLY D 1 78 ? 19.900 -2.579 -22.181 1.00 24.02 ? 77 GLY D CA 1 ATOM 10028 C C . GLY D 1 78 ? 19.271 -1.596 -21.204 1.00 23.53 ? 77 GLY D C 1 ATOM 10029 O O . GLY D 1 78 ? 19.726 -1.485 -20.070 1.00 23.46 ? 77 GLY D O 1 ATOM 10030 N N . VAL D 1 79 ? 18.209 -0.902 -21.618 1.00 21.22 ? 78 VAL D N 1 ATOM 10031 C CA . VAL D 1 79 ? 17.535 0.031 -20.746 1.00 21.07 ? 78 VAL D CA 1 ATOM 10032 C C . VAL D 1 79 ? 16.105 -0.450 -20.520 1.00 20.10 ? 78 VAL D C 1 ATOM 10033 O O . VAL D 1 79 ? 15.420 -0.803 -21.475 1.00 20.86 ? 78 VAL D O 1 ATOM 10034 C CB . VAL D 1 79 ? 17.479 1.453 -21.343 1.00 20.94 ? 78 VAL D CB 1 ATOM 10035 C CG1 . VAL D 1 79 ? 16.715 2.400 -20.432 1.00 21.21 ? 78 VAL D CG1 1 ATOM 10036 C CG2 . VAL D 1 79 ? 18.882 1.990 -21.607 1.00 22.30 ? 78 VAL D CG2 1 ATOM 10037 N N . ASP D 1 80 ? 15.667 -0.468 -19.264 1.00 18.98 ? 79 ASP D N 1 ATOM 10038 C CA . ASP D 1 80 ? 14.254 -0.619 -18.972 1.00 17.78 ? 79 ASP D CA 1 ATOM 10039 C C . ASP D 1 80 ? 13.746 0.600 -18.241 1.00 17.45 ? 79 ASP D C 1 ATOM 10040 O O . ASP D 1 80 ? 14.404 1.081 -17.327 1.00 17.86 ? 79 ASP D O 1 ATOM 10041 C CB . ASP D 1 80 ? 13.937 -1.845 -18.122 1.00 18.02 ? 79 ASP D CB 1 ATOM 10042 C CG . ASP D 1 80 ? 12.418 -2.110 -18.079 1.00 17.90 ? 79 ASP D CG 1 ATOM 10043 O OD1 . ASP D 1 80 ? 11.828 -2.234 -19.198 1.00 18.38 ? 79 ASP D OD1 1 ATOM 10044 O OD2 . ASP D 1 80 ? 11.818 -2.159 -16.986 1.00 18.00 ? 79 ASP D OD2 1 ATOM 10045 N N . VAL D 1 81 ? 12.535 1.036 -18.583 1.00 16.50 ? 80 VAL D N 1 ATOM 10046 C CA . VAL D 1 81 ? 11.895 2.144 -17.906 1.00 16.20 ? 80 VAL D CA 1 ATOM 10047 C C . VAL D 1 81 ? 10.517 1.684 -17.388 1.00 16.60 ? 80 VAL D C 1 ATOM 10048 O O . VAL D 1 81 ? 9.715 1.139 -18.148 1.00 16.77 ? 80 VAL D O 1 ATOM 10049 C CB . VAL D 1 81 ? 11.727 3.361 -18.830 1.00 16.41 ? 80 VAL D CB 1 ATOM 10050 C CG1 . VAL D 1 81 ? 11.020 4.514 -18.109 1.00 16.02 ? 80 VAL D CG1 1 ATOM 10051 C CG2 . VAL D 1 81 ? 13.081 3.857 -19.318 1.00 17.01 ? 80 VAL D CG2 1 ATOM 10052 N N . ARG D 1 82 ? 10.263 1.880 -16.106 1.00 16.63 ? 81 ARG D N 1 ATOM 10053 C CA . ARG D 1 82 ? 8.970 1.523 -15.507 1.00 17.10 ? 81 ARG D CA 1 ATOM 10054 C C . ARG D 1 82 ? 8.324 2.687 -14.793 1.00 16.16 ? 81 ARG D C 1 ATOM 10055 O O . ARG D 1 82 ? 8.971 3.673 -14.450 1.00 16.34 ? 81 ARG D O 1 ATOM 10056 C CB . ARG D 1 82 ? 9.094 0.346 -14.577 1.00 19.07 ? 81 ARG D CB 1 ATOM 10057 C CG . ARG D 1 82 ? 9.661 0.652 -13.240 1.00 20.91 ? 81 ARG D CG 1 ATOM 10058 C CD . ARG D 1 82 ? 9.548 -0.538 -12.282 1.00 22.82 ? 81 ARG D CD 1 ATOM 10059 N NE . ARG D 1 82 ? 10.182 -0.157 -11.031 1.00 24.35 ? 81 ARG D NE 1 ATOM 10060 C CZ . ARG D 1 82 ? 10.627 -0.998 -10.103 1.00 26.79 ? 81 ARG D CZ 1 ATOM 10061 N NH1 . ARG D 1 82 ? 10.485 -2.322 -10.239 1.00 25.95 ? 81 ARG D NH1 1 ATOM 10062 N NH2 . ARG D 1 82 ? 11.224 -0.511 -9.018 1.00 28.34 ? 81 ARG D NH2 1 ATOM 10063 N N . VAL D 1 83 ? 7.013 2.572 -14.622 1.00 15.38 ? 82 VAL D N 1 ATOM 10064 C CA . VAL D 1 83 ? 6.208 3.623 -14.025 1.00 15.30 ? 82 VAL D CA 1 ATOM 10065 C C . VAL D 1 83 ? 5.880 3.139 -12.622 1.00 15.25 ? 82 VAL D C 1 ATOM 10066 O O . VAL D 1 83 ? 5.136 2.194 -12.476 1.00 15.27 ? 82 VAL D O 1 ATOM 10067 C CB . VAL D 1 83 ? 4.884 3.808 -14.806 1.00 14.90 ? 82 VAL D CB 1 ATOM 10068 C CG1 . VAL D 1 83 ? 3.995 4.861 -14.151 1.00 15.52 ? 82 VAL D CG1 1 ATOM 10069 C CG2 . VAL D 1 83 ? 5.183 4.188 -16.250 1.00 15.23 ? 82 VAL D CG2 1 ATOM 10070 N N . PRO D 1 84 ? 6.427 3.789 -11.585 1.00 16.07 ? 83 PRO D N 1 ATOM 10071 C CA . PRO D 1 84 ? 6.092 3.375 -10.218 1.00 16.47 ? 83 PRO D CA 1 ATOM 10072 C C . PRO D 1 84 ? 4.754 3.966 -9.769 1.00 16.72 ? 83 PRO D C 1 ATOM 10073 O O . PRO D 1 84 ? 4.289 4.921 -10.363 1.00 16.51 ? 83 PRO D O 1 ATOM 10074 C CB . PRO D 1 84 ? 7.222 3.972 -9.391 1.00 16.98 ? 83 PRO D CB 1 ATOM 10075 C CG . PRO D 1 84 ? 7.597 5.211 -10.144 1.00 16.93 ? 83 PRO D CG 1 ATOM 10076 C CD . PRO D 1 84 ? 7.430 4.872 -11.603 1.00 16.27 ? 83 PRO D CD 1 ATOM 10077 N N . GLY D 1 85 ? 4.146 3.387 -8.730 1.00 17.21 ? 84 GLY D N 1 ATOM 10078 C CA . GLY D 1 85 ? 3.067 4.064 -8.006 1.00 16.59 ? 84 GLY D CA 1 ATOM 10079 C C . GLY D 1 85 ? 1.687 3.986 -8.618 1.00 16.74 ? 84 GLY D C 1 ATOM 10080 O O . GLY D 1 85 ? 0.820 4.806 -8.252 1.00 16.08 ? 84 GLY D O 1 ATOM 10081 N N . PHE D 1 86 ? 1.448 3.032 -9.525 1.00 16.40 ? 85 PHE D N 1 ATOM 10082 C CA . PHE D 1 86 ? 0.100 2.879 -10.093 1.00 16.47 ? 85 PHE D CA 1 ATOM 10083 C C . PHE D 1 86 ? -0.860 2.457 -8.973 1.00 16.96 ? 85 PHE D C 1 ATOM 10084 O O . PHE D 1 86 ? -0.592 1.516 -8.220 1.00 16.12 ? 85 PHE D O 1 ATOM 10085 C CB . PHE D 1 86 ? 0.058 1.880 -11.267 1.00 17.29 ? 85 PHE D CB 1 ATOM 10086 C CG . PHE D 1 86 ? -1.269 1.868 -11.982 1.00 17.49 ? 85 PHE D CG 1 ATOM 10087 C CD1 . PHE D 1 86 ? -2.297 1.051 -11.521 1.00 18.58 ? 85 PHE D CD1 1 ATOM 10088 C CD2 . PHE D 1 86 ? -1.527 2.710 -13.055 1.00 17.64 ? 85 PHE D CD2 1 ATOM 10089 C CE1 . PHE D 1 86 ? -3.544 1.049 -12.151 1.00 19.36 ? 85 PHE D CE1 1 ATOM 10090 C CE2 . PHE D 1 86 ? -2.770 2.721 -13.674 1.00 17.94 ? 85 PHE D CE2 1 ATOM 10091 C CZ . PHE D 1 86 ? -3.787 1.905 -13.212 1.00 18.61 ? 85 PHE D CZ 1 ATOM 10092 N N . GLY D 1 87 ? -1.966 3.177 -8.838 1.00 16.08 ? 86 GLY D N 1 ATOM 10093 C CA . GLY D 1 87 ? -2.920 2.931 -7.758 1.00 17.16 ? 86 GLY D CA 1 ATOM 10094 C C . GLY D 1 87 ? -2.614 3.707 -6.482 1.00 17.11 ? 86 GLY D C 1 ATOM 10095 O O . GLY D 1 87 ? -3.414 3.687 -5.539 1.00 17.78 ? 86 GLY D O 1 ATOM 10096 N N . LYS D 1 88 ? -1.442 4.356 -6.427 1.00 17.12 ? 87 LYS D N 1 ATOM 10097 C CA . LYS D 1 88 ? -1.005 5.161 -5.282 1.00 19.40 ? 87 LYS D CA 1 ATOM 10098 C C . LYS D 1 88 ? -0.975 6.631 -5.759 1.00 18.75 ? 87 LYS D C 1 ATOM 10099 O O . LYS D 1 88 ? -1.343 6.901 -6.889 1.00 18.40 ? 87 LYS D O 1 ATOM 10100 C CB . LYS D 1 88 ? 0.374 4.733 -4.819 1.00 21.03 ? 87 LYS D CB 1 ATOM 10101 C CG . LYS D 1 88 ? 0.545 3.246 -4.583 1.00 23.19 ? 87 LYS D CG 1 ATOM 10102 C CD . LYS D 1 88 ? -0.389 2.741 -3.504 1.00 27.80 ? 87 LYS D CD 1 ATOM 10103 C CE . LYS D 1 88 ? -0.154 1.248 -3.241 1.00 31.77 ? 87 LYS D CE 1 ATOM 10104 N NZ . LYS D 1 88 ? -1.334 0.639 -2.553 1.00 33.76 ? 87 LYS D NZ 1 ATOM 10105 N N . THR D 1 89 ? -0.558 7.556 -4.913 1.00 18.79 ? 88 THR D N 1 ATOM 10106 C CA . THR D 1 89 ? -0.507 8.961 -5.297 1.00 19.16 ? 88 THR D CA 1 ATOM 10107 C C . THR D 1 89 ? 0.883 9.563 -5.211 1.00 18.89 ? 88 THR D C 1 ATOM 10108 O O . THR D 1 89 ? 1.116 10.625 -5.787 1.00 16.87 ? 88 THR D O 1 ATOM 10109 C CB . THR D 1 89 ? -1.477 9.844 -4.457 1.00 21.02 ? 88 THR D CB 1 ATOM 10110 O OG1 . THR D 1 89 ? -1.083 9.830 -3.080 1.00 21.74 ? 88 THR D OG1 1 ATOM 10111 C CG2 . THR D 1 89 ? -2.916 9.339 -4.586 1.00 22.12 ? 88 THR D CG2 1 ATOM 10112 N N . PHE D 1 90 ? 1.823 8.884 -4.556 1.00 18.62 ? 89 PHE D N 1 ATOM 10113 C CA . PHE D 1 90 ? 3.123 9.499 -4.299 1.00 19.50 ? 89 PHE D CA 1 ATOM 10114 C C . PHE D 1 90 ? 3.852 9.938 -5.586 1.00 19.06 ? 89 PHE D C 1 ATOM 10115 O O . PHE D 1 90 ? 4.525 10.963 -5.598 1.00 19.13 ? 89 PHE D O 1 ATOM 10116 C CB . PHE D 1 90 ? 4.011 8.577 -3.450 1.00 20.89 ? 89 PHE D CB 1 ATOM 10117 C CG . PHE D 1 90 ? 4.515 7.353 -4.170 1.00 21.72 ? 89 PHE D CG 1 ATOM 10118 C CD1 . PHE D 1 90 ? 5.693 7.404 -4.925 1.00 22.77 ? 89 PHE D CD1 1 ATOM 10119 C CD2 . PHE D 1 90 ? 3.858 6.142 -4.055 1.00 22.55 ? 89 PHE D CD2 1 ATOM 10120 C CE1 . PHE D 1 90 ? 6.177 6.265 -5.573 1.00 23.16 ? 89 PHE D CE1 1 ATOM 10121 C CE2 . PHE D 1 90 ? 4.356 4.997 -4.676 1.00 23.27 ? 89 PHE D CE2 1 ATOM 10122 C CZ . PHE D 1 90 ? 5.505 5.066 -5.454 1.00 23.02 ? 89 PHE D CZ 1 ATOM 10123 N N . SER D 1 91 ? 3.712 9.164 -6.660 1.00 18.58 ? 90 SER D N 1 ATOM 10124 C CA . SER D 1 91 ? 4.522 9.396 -7.863 1.00 18.96 ? 90 SER D CA 1 ATOM 10125 C C . SER D 1 91 ? 3.979 10.514 -8.751 1.00 18.30 ? 90 SER D C 1 ATOM 10126 O O . SER D 1 91 ? 4.695 10.990 -9.646 1.00 16.56 ? 90 SER D O 1 ATOM 10127 C CB . SER D 1 91 ? 4.703 8.128 -8.672 1.00 18.76 ? 90 SER D CB 1 ATOM 10128 O OG . SER D 1 91 ? 3.528 7.788 -9.376 1.00 19.54 ? 90 SER D OG 1 ATOM 10129 N N . LEU D 1 92 ? 2.730 10.922 -8.513 1.00 17.68 ? 91 LEU D N 1 ATOM 10130 C CA . LEU D 1 92 ? 2.218 12.142 -9.116 1.00 18.58 ? 91 LEU D CA 1 ATOM 10131 C C . LEU D 1 92 ? 2.143 13.340 -8.156 1.00 17.44 ? 91 LEU D C 1 ATOM 10132 O O . LEU D 1 92 ? 2.073 14.473 -8.620 1.00 17.42 ? 91 LEU D O 1 ATOM 10133 C CB . LEU D 1 92 ? 0.940 11.958 -9.947 1.00 21.24 ? 91 LEU D CB 1 ATOM 10134 C CG . LEU D 1 92 ? -0.152 11.058 -9.512 1.00 23.77 ? 91 LEU D CG 1 ATOM 10135 C CD1 . LEU D 1 92 ? -0.818 11.725 -8.298 1.00 26.93 ? 91 LEU D CD1 1 ATOM 10136 C CD2 . LEU D 1 92 ? -1.144 10.901 -10.653 1.00 23.97 ? 91 LEU D CD2 1 ATOM 10137 N N . GLU D 1 93 ? 2.203 13.127 -6.841 1.00 16.47 ? 92 GLU D N 1 ATOM 10138 C CA . GLU D 1 93 ? 2.271 14.262 -5.899 1.00 17.11 ? 92 GLU D CA 1 ATOM 10139 C C . GLU D 1 93 ? 3.613 14.965 -6.026 1.00 17.17 ? 92 GLU D C 1 ATOM 10140 O O . GLU D 1 93 ? 3.680 16.181 -6.037 1.00 17.45 ? 92 GLU D O 1 ATOM 10141 C CB . GLU D 1 93 ? 2.049 13.825 -4.435 1.00 17.02 ? 92 GLU D CB 1 ATOM 10142 C CG . GLU D 1 93 ? 0.620 13.428 -4.109 1.00 17.61 ? 92 GLU D CG 1 ATOM 10143 C CD . GLU D 1 93 ? 0.418 13.142 -2.641 1.00 18.05 ? 92 GLU D CD 1 ATOM 10144 O OE1 . GLU D 1 93 ? 0.564 14.083 -1.837 1.00 18.91 ? 92 GLU D OE1 1 ATOM 10145 O OE2 . GLU D 1 93 ? 0.107 11.984 -2.296 1.00 18.56 ? 92 GLU D OE2 1 ATOM 10146 N N . PHE D 1 94 ? 4.671 14.173 -6.093 1.00 17.85 ? 93 PHE D N 1 ATOM 10147 C CA . PHE D 1 94 ? 6.055 14.650 -6.138 1.00 19.39 ? 93 PHE D CA 1 ATOM 10148 C C . PHE D 1 94 ? 6.768 13.988 -7.304 1.00 19.40 ? 93 PHE D C 1 ATOM 10149 O O . PHE D 1 94 ? 6.867 12.766 -7.337 1.00 18.45 ? 93 PHE D O 1 ATOM 10150 C CB . PHE D 1 94 ? 6.788 14.269 -4.858 1.00 21.62 ? 93 PHE D CB 1 ATOM 10151 C CG . PHE D 1 94 ? 6.304 14.989 -3.637 1.00 23.80 ? 93 PHE D CG 1 ATOM 10152 C CD1 . PHE D 1 94 ? 6.546 16.335 -3.498 1.00 24.80 ? 93 PHE D CD1 1 ATOM 10153 C CD2 . PHE D 1 94 ? 5.616 14.304 -2.627 1.00 25.71 ? 93 PHE D CD2 1 ATOM 10154 C CE1 . PHE D 1 94 ? 6.104 17.006 -2.385 1.00 26.59 ? 93 PHE D CE1 1 ATOM 10155 C CE2 . PHE D 1 94 ? 5.189 14.979 -1.487 1.00 26.35 ? 93 PHE D CE2 1 ATOM 10156 C CZ . PHE D 1 94 ? 5.434 16.329 -1.387 1.00 26.72 ? 93 PHE D CZ 1 ATOM 10157 N N . LEU D 1 95 ? 7.251 14.774 -8.256 1.00 18.61 ? 94 LEU D N 1 ATOM 10158 C CA . LEU D 1 95 ? 7.969 14.234 -9.399 1.00 18.51 ? 94 LEU D CA 1 ATOM 10159 C C . LEU D 1 95 ? 9.385 13.856 -8.994 1.00 19.92 ? 94 LEU D C 1 ATOM 10160 O O . LEU D 1 95 ? 9.963 12.906 -9.526 1.00 20.00 ? 94 LEU D O 1 ATOM 10161 C CB . LEU D 1 95 ? 7.983 15.228 -10.549 1.00 18.79 ? 94 LEU D CB 1 ATOM 10162 C CG . LEU D 1 95 ? 6.609 15.683 -11.017 1.00 19.12 ? 94 LEU D CG 1 ATOM 10163 C CD1 . LEU D 1 95 ? 6.740 16.710 -12.134 1.00 20.05 ? 94 LEU D CD1 1 ATOM 10164 C CD2 . LEU D 1 95 ? 5.742 14.515 -11.449 1.00 19.88 ? 94 LEU D CD2 1 ATOM 10165 N N . ASP D 1 96 ? 9.937 14.598 -8.041 1.00 20.03 ? 95 ASP D N 1 ATOM 10166 C CA . ASP D 1 96 ? 11.262 14.330 -7.489 1.00 22.86 ? 95 ASP D CA 1 ATOM 10167 C C . ASP D 1 96 ? 11.071 13.651 -6.144 1.00 23.00 ? 95 ASP D C 1 ATOM 10168 O O . ASP D 1 96 ? 10.500 14.255 -5.224 1.00 23.63 ? 95 ASP D O 1 ATOM 10169 C CB . ASP D 1 96 ? 12.043 15.644 -7.339 1.00 24.68 ? 95 ASP D CB 1 ATOM 10170 C CG . ASP D 1 96 ? 13.506 15.430 -6.990 1.00 28.83 ? 95 ASP D CG 1 ATOM 10171 O OD1 . ASP D 1 96 ? 13.832 14.404 -6.359 1.00 30.43 ? 95 ASP D OD1 1 ATOM 10172 O OD2 . ASP D 1 96 ? 14.333 16.296 -7.381 1.00 33.10 ? 95 ASP D OD2 1 ATOM 10173 N N . PRO D 1 97 ? 11.528 12.398 -6.000 1.00 25.02 ? 96 PRO D N 1 ATOM 10174 C CA . PRO D 1 97 ? 11.367 11.700 -4.716 1.00 27.03 ? 96 PRO D CA 1 ATOM 10175 C C . PRO D 1 97 ? 12.085 12.349 -3.522 1.00 28.21 ? 96 PRO D C 1 ATOM 10176 O O . PRO D 1 97 ? 11.785 11.991 -2.399 1.00 29.23 ? 96 PRO D O 1 ATOM 10177 C CB . PRO D 1 97 ? 11.934 10.287 -4.967 1.00 27.82 ? 96 PRO D CB 1 ATOM 10178 C CG . PRO D 1 97 ? 12.348 10.244 -6.380 1.00 26.72 ? 96 PRO D CG 1 ATOM 10179 C CD . PRO D 1 97 ? 12.304 11.609 -6.971 1.00 26.67 ? 96 PRO D CD 1 ATOM 10180 N N . SER D 1 98 ? 12.978 13.304 -3.742 1.00 28.04 ? 97 SER D N 1 ATOM 10181 C CA . SER D 1 98 ? 13.486 14.135 -2.638 1.00 32.40 ? 97 SER D CA 1 ATOM 10182 C C . SER D 1 98 ? 12.375 15.026 -2.033 1.00 31.67 ? 97 SER D C 1 ATOM 10183 O O . SER D 1 98 ? 12.566 15.615 -0.977 1.00 30.21 ? 97 SER D O 1 ATOM 10184 C CB . SER D 1 98 ? 14.605 15.046 -3.121 1.00 32.91 ? 97 SER D CB 1 ATOM 10185 O OG . SER D 1 98 ? 14.057 16.117 -3.875 1.00 36.02 ? 97 SER D OG 1 ATOM 10186 N N . LYS D 1 99 ? 11.255 15.142 -2.753 1.00 30.43 ? 98 LYS D N 1 ATOM 10187 C CA . LYS D 1 99 ? 10.096 15.938 -2.376 1.00 29.87 ? 98 LYS D CA 1 ATOM 10188 C C . LYS D 1 99 ? 10.369 17.436 -2.440 1.00 30.24 ? 98 LYS D C 1 ATOM 10189 O O . LYS D 1 99 ? 9.693 18.231 -1.801 1.00 30.66 ? 98 LYS D O 1 ATOM 10190 C CB . LYS D 1 99 ? 9.551 15.492 -1.021 1.00 30.73 ? 98 LYS D CB 1 ATOM 10191 C CG . LYS D 1 99 ? 9.150 14.030 -1.017 1.00 31.56 ? 98 LYS D CG 1 ATOM 10192 C CD . LYS D 1 99 ? 8.501 13.644 0.288 1.00 34.11 ? 98 LYS D CD 1 ATOM 10193 C CE . LYS D 1 99 ? 8.018 12.214 0.235 1.00 35.65 ? 98 LYS D CE 1 ATOM 10194 N NZ . LYS D 1 99 ? 7.321 11.851 1.503 1.00 39.32 ? 98 LYS D NZ 1 ATOM 10195 N N . SER D 1 100 ? 11.355 17.807 -3.249 1.00 30.03 ? 99 SER D N 1 ATOM 10196 C CA . SER D 1 100 ? 11.671 19.192 -3.527 1.00 31.06 ? 99 SER D CA 1 ATOM 10197 C C . SER D 1 100 ? 10.490 19.923 -4.177 1.00 28.48 ? 99 SER D C 1 ATOM 10198 O O . SER D 1 100 ? 9.724 19.331 -4.954 1.00 25.76 ? 99 SER D O 1 ATOM 10199 C CB . SER D 1 100 ? 12.865 19.247 -4.477 1.00 33.22 ? 99 SER D CB 1 ATOM 10200 O OG . SER D 1 100 ? 13.045 20.562 -4.950 1.00 39.16 ? 99 SER D OG 1 ATOM 10201 N N . SER D 1 101 ? 10.364 21.213 -3.887 1.00 27.49 ? 100 SER D N 1 ATOM 10202 C CA . SER D 1 101 ? 9.267 22.026 -4.446 1.00 27.81 ? 100 SER D CA 1 ATOM 10203 C C . SER D 1 101 ? 9.264 22.068 -5.968 1.00 27.22 ? 100 SER D C 1 ATOM 10204 O O . SER D 1 101 ? 8.202 22.209 -6.572 1.00 25.53 ? 100 SER D O 1 ATOM 10205 C CB . SER D 1 101 ? 9.310 23.452 -3.895 1.00 30.79 ? 100 SER D CB 1 ATOM 10206 O OG . SER D 1 101 ? 10.501 24.091 -4.269 1.00 31.98 ? 100 SER D OG 1 ATOM 10207 N N . VAL D 1 102 ? 10.449 21.944 -6.578 1.00 27.77 ? 101 VAL D N 1 ATOM 10208 C CA . VAL D 1 102 ? 10.588 21.887 -8.049 1.00 28.61 ? 101 VAL D CA 1 ATOM 10209 C C . VAL D 1 102 ? 9.698 20.779 -8.648 1.00 26.48 ? 101 VAL D C 1 ATOM 10210 O O . VAL D 1 102 ? 9.163 20.937 -9.742 1.00 26.86 ? 101 VAL D O 1 ATOM 10211 C CB . VAL D 1 102 ? 12.081 21.714 -8.522 1.00 31.20 ? 101 VAL D CB 1 ATOM 10212 C CG1 . VAL D 1 102 ? 12.592 20.300 -8.268 1.00 33.02 ? 101 VAL D CG1 1 ATOM 10213 C CG2 . VAL D 1 102 ? 12.209 22.033 -10.000 1.00 32.88 ? 101 VAL D CG2 1 ATOM 10214 N N . GLY D 1 103 ? 9.507 19.685 -7.932 1.00 23.38 ? 102 GLY D N 1 ATOM 10215 C CA . GLY D 1 103 ? 8.683 18.625 -8.449 1.00 22.32 ? 102 GLY D CA 1 ATOM 10216 C C . GLY D 1 103 ? 7.297 18.507 -7.843 1.00 21.68 ? 102 GLY D C 1 ATOM 10217 O O . GLY D 1 103 ? 6.620 17.498 -8.050 1.00 20.75 ? 102 GLY D O 1 ATOM 10218 N N . SER D 1 104 ? 6.853 19.504 -7.085 1.00 20.22 ? 103 SER D N 1 ATOM 10219 C CA . SER D 1 104 ? 5.543 19.370 -6.422 1.00 20.33 ? 103 SER D CA 1 ATOM 10220 C C . SER D 1 104 ? 4.471 19.564 -7.483 1.00 19.62 ? 103 SER D C 1 ATOM 10221 O O . SER D 1 104 ? 4.397 20.623 -8.096 1.00 20.68 ? 103 SER D O 1 ATOM 10222 C CB . SER D 1 104 ? 5.395 20.404 -5.298 1.00 21.22 ? 103 SER D CB 1 ATOM 10223 O OG . SER D 1 104 ? 4.099 20.291 -4.694 1.00 21.74 ? 103 SER D OG 1 ATOM 10224 N N . TYR D 1 105 ? 3.637 18.552 -7.708 1.00 18.36 ? 104 TYR D N 1 ATOM 10225 C CA . TYR D 1 105 ? 2.714 18.569 -8.832 1.00 16.55 ? 104 TYR D CA 1 ATOM 10226 C C . TYR D 1 105 ? 1.270 18.385 -8.311 1.00 16.61 ? 104 TYR D C 1 ATOM 10227 O O . TYR D 1 105 ? 0.548 19.360 -8.175 1.00 17.54 ? 104 TYR D O 1 ATOM 10228 C CB . TYR D 1 105 ? 3.159 17.521 -9.873 1.00 16.16 ? 104 TYR D CB 1 ATOM 10229 C CG . TYR D 1 105 ? 2.317 17.410 -11.113 1.00 15.16 ? 104 TYR D CG 1 ATOM 10230 C CD1 . TYR D 1 105 ? 1.896 18.543 -11.806 1.00 15.91 ? 104 TYR D CD1 1 ATOM 10231 C CD2 . TYR D 1 105 ? 1.979 16.176 -11.636 1.00 14.68 ? 104 TYR D CD2 1 ATOM 10232 C CE1 . TYR D 1 105 ? 1.134 18.434 -12.985 1.00 15.63 ? 104 TYR D CE1 1 ATOM 10233 C CE2 . TYR D 1 105 ? 1.196 16.069 -12.786 1.00 15.33 ? 104 TYR D CE2 1 ATOM 10234 C CZ . TYR D 1 105 ? 0.768 17.200 -13.454 1.00 15.53 ? 104 TYR D CZ 1 ATOM 10235 O OH . TYR D 1 105 ? 0.004 17.050 -14.615 1.00 16.70 ? 104 TYR D OH 1 ATOM 10236 N N . PHE D 1 106 ? 0.838 17.155 -8.040 1.00 17.00 ? 105 PHE D N 1 ATOM 10237 C CA . PHE D 1 106 ? -0.506 16.941 -7.442 1.00 16.45 ? 105 PHE D CA 1 ATOM 10238 C C . PHE D 1 106 ? -0.510 17.060 -5.904 1.00 16.41 ? 105 PHE D C 1 ATOM 10239 O O . PHE D 1 106 ? -1.555 16.907 -5.291 1.00 16.03 ? 105 PHE D O 1 ATOM 10240 C CB . PHE D 1 106 ? -1.077 15.585 -7.844 1.00 17.09 ? 105 PHE D CB 1 ATOM 10241 C CG . PHE D 1 106 ? -1.869 15.581 -9.115 1.00 17.74 ? 105 PHE D CG 1 ATOM 10242 C CD1 . PHE D 1 106 ? -3.240 15.806 -9.104 1.00 18.68 ? 105 PHE D CD1 1 ATOM 10243 C CD2 . PHE D 1 106 ? -1.273 15.308 -10.324 1.00 18.68 ? 105 PHE D CD2 1 ATOM 10244 C CE1 . PHE D 1 106 ? -3.988 15.771 -10.282 1.00 18.51 ? 105 PHE D CE1 1 ATOM 10245 C CE2 . PHE D 1 106 ? -2.017 15.285 -11.520 1.00 19.51 ? 105 PHE D CE2 1 ATOM 10246 C CZ . PHE D 1 106 ? -3.381 15.505 -11.493 1.00 18.56 ? 105 PHE D CZ 1 ATOM 10247 N N . HIS D 1 107 ? 0.647 17.358 -5.281 1.00 16.39 ? 106 HIS D N 1 ATOM 10248 C CA . HIS D 1 107 ? 0.713 17.353 -3.796 1.00 16.51 ? 106 HIS D CA 1 ATOM 10249 C C . HIS D 1 107 ? -0.300 18.293 -3.128 1.00 16.52 ? 106 HIS D C 1 ATOM 10250 O O . HIS D 1 107 ? -0.965 17.897 -2.182 1.00 16.45 ? 106 HIS D O 1 ATOM 10251 C CB . HIS D 1 107 ? 2.123 17.653 -3.283 1.00 16.36 ? 106 HIS D CB 1 ATOM 10252 C CG . HIS D 1 107 ? 2.289 17.468 -1.801 1.00 18.08 ? 106 HIS D CG 1 ATOM 10253 N ND1 . HIS D 1 107 ? 1.940 16.304 -1.147 1.00 17.97 ? 106 HIS D ND1 1 ATOM 10254 C CD2 . HIS D 1 107 ? 2.807 18.284 -0.858 1.00 18.75 ? 106 HIS D CD2 1 ATOM 10255 C CE1 . HIS D 1 107 ? 2.207 16.422 0.138 1.00 18.72 ? 106 HIS D CE1 1 ATOM 10256 N NE2 . HIS D 1 107 ? 2.751 17.607 0.337 1.00 19.28 ? 106 HIS D NE2 1 ATOM 10257 N N . THR D 1 108 ? -0.404 19.523 -3.595 1.00 16.69 ? 107 THR D N 1 ATOM 10258 C CA . THR D 1 108 ? -1.346 20.467 -2.993 1.00 18.07 ? 107 THR D CA 1 ATOM 10259 C C . THR D 1 108 ? -2.792 19.970 -3.081 1.00 17.92 ? 107 THR D C 1 ATOM 10260 O O . THR D 1 108 ? -3.550 20.036 -2.111 1.00 18.22 ? 107 THR D O 1 ATOM 10261 C CB . THR D 1 108 ? -1.246 21.852 -3.647 1.00 19.19 ? 107 THR D CB 1 ATOM 10262 O OG1 . THR D 1 108 ? 0.087 22.344 -3.495 1.00 20.05 ? 107 THR D OG1 1 ATOM 10263 C CG2 . THR D 1 108 ? -2.184 22.836 -3.001 1.00 20.72 ? 107 THR D CG2 1 ATOM 10264 N N . MET D 1 109 ? -3.166 19.435 -4.231 1.00 17.71 ? 108 MET D N 1 ATOM 10265 C CA . MET D 1 109 ? -4.516 18.928 -4.411 1.00 18.10 ? 108 MET D CA 1 ATOM 10266 C C . MET D 1 109 ? -4.780 17.724 -3.494 1.00 18.17 ? 108 MET D C 1 ATOM 10267 O O . MET D 1 109 ? -5.860 17.594 -2.939 1.00 18.89 ? 108 MET D O 1 ATOM 10268 C CB . MET D 1 109 ? -4.776 18.551 -5.874 1.00 18.67 ? 108 MET D CB 1 ATOM 10269 C CG . MET D 1 109 ? -6.141 17.912 -6.129 1.00 20.13 ? 108 MET D CG 1 ATOM 10270 S SD . MET D 1 109 ? -6.483 17.549 -7.861 1.00 21.61 ? 108 MET D SD 1 ATOM 10271 C CE . MET D 1 109 ? -6.582 19.201 -8.503 1.00 21.16 ? 108 MET D CE 1 ATOM 10272 N N . VAL D 1 110 ? -3.826 16.811 -3.398 1.00 17.21 ? 109 VAL D N 1 ATOM 10273 C CA . VAL D 1 110 ? -4.019 15.623 -2.575 1.00 17.15 ? 109 VAL D CA 1 ATOM 10274 C C . VAL D 1 110 ? -4.080 16.007 -1.087 1.00 17.90 ? 109 VAL D C 1 ATOM 10275 O O . VAL D 1 110 ? -4.902 15.438 -0.363 1.00 18.53 ? 109 VAL D O 1 ATOM 10276 C CB . VAL D 1 110 ? -2.977 14.527 -2.883 1.00 16.90 ? 109 VAL D CB 1 ATOM 10277 C CG1 . VAL D 1 110 ? -3.148 13.333 -1.957 1.00 16.86 ? 109 VAL D CG1 1 ATOM 10278 C CG2 . VAL D 1 110 ? -3.119 14.044 -4.322 1.00 16.17 ? 109 VAL D CG2 1 ATOM 10279 N N . GLU D 1 111 ? -3.260 16.969 -0.654 1.00 17.46 ? 110 GLU D N 1 ATOM 10280 C CA . GLU D 1 111 ? -3.378 17.520 0.716 1.00 17.92 ? 110 GLU D CA 1 ATOM 10281 C C . GLU D 1 111 ? -4.818 18.001 0.998 1.00 18.27 ? 110 GLU D C 1 ATOM 10282 O O . GLU D 1 111 ? -5.384 17.675 2.048 1.00 17.56 ? 110 GLU D O 1 ATOM 10283 C CB . GLU D 1 111 ? -2.420 18.669 0.965 1.00 19.03 ? 110 GLU D CB 1 ATOM 10284 C CG . GLU D 1 111 ? -0.972 18.274 1.108 1.00 19.66 ? 110 GLU D CG 1 ATOM 10285 C CD . GLU D 1 111 ? -0.646 17.616 2.412 1.00 20.30 ? 110 GLU D CD 1 ATOM 10286 O OE1 . GLU D 1 111 ? -0.533 18.340 3.425 1.00 20.96 ? 110 GLU D OE1 1 ATOM 10287 O OE2 . GLU D 1 111 ? -0.542 16.360 2.414 1.00 21.49 ? 110 GLU D OE2 1 ATOM 10288 N N . SER D 1 112 ? -5.409 18.718 0.045 1.00 18.34 ? 111 SER D N 1 ATOM 10289 C CA . SER D 1 112 ? -6.813 19.136 0.160 1.00 19.54 ? 111 SER D CA 1 ATOM 10290 C C . SER D 1 112 ? -7.804 17.967 0.239 1.00 19.52 ? 111 SER D C 1 ATOM 10291 O O . SER D 1 112 ? -8.669 17.943 1.123 1.00 20.12 ? 111 SER D O 1 ATOM 10292 C CB . SER D 1 112 ? -7.183 20.050 -0.997 1.00 20.53 ? 111 SER D CB 1 ATOM 10293 O OG . SER D 1 112 ? -6.549 21.316 -0.857 1.00 23.09 ? 111 SER D OG 1 ATOM 10294 N N . LEU D 1 113 ? -7.670 17.013 -0.680 1.00 18.83 ? 112 LEU D N 1 ATOM 10295 C CA . LEU D 1 113 ? -8.530 15.840 -0.686 1.00 19.61 ? 112 LEU D CA 1 ATOM 10296 C C . LEU D 1 113 ? -8.484 15.089 0.656 1.00 19.40 ? 112 LEU D C 1 ATOM 10297 O O . LEU D 1 113 ? -9.513 14.711 1.209 1.00 19.57 ? 112 LEU D O 1 ATOM 10298 C CB . LEU D 1 113 ? -8.155 14.889 -1.825 1.00 20.16 ? 112 LEU D CB 1 ATOM 10299 C CG . LEU D 1 113 ? -8.533 15.370 -3.227 1.00 21.45 ? 112 LEU D CG 1 ATOM 10300 C CD1 . LEU D 1 113 ? -7.777 14.592 -4.288 1.00 22.31 ? 112 LEU D CD1 1 ATOM 10301 C CD2 . LEU D 1 113 ? -10.024 15.217 -3.447 1.00 22.08 ? 112 LEU D CD2 1 ATOM 10302 N N . VAL D 1 114 ? -7.279 14.872 1.163 1.00 18.83 ? 113 VAL D N 1 ATOM 10303 C CA . VAL D 1 114 ? -7.112 14.187 2.418 1.00 19.27 ? 113 VAL D CA 1 ATOM 10304 C C . VAL D 1 114 ? -7.752 14.995 3.577 1.00 20.80 ? 113 VAL D C 1 ATOM 10305 O O . VAL D 1 114 ? -8.420 14.422 4.457 1.00 20.49 ? 113 VAL D O 1 ATOM 10306 C CB . VAL D 1 114 ? -5.625 13.855 2.627 1.00 19.17 ? 113 VAL D CB 1 ATOM 10307 C CG1 . VAL D 1 114 ? -5.345 13.412 4.058 1.00 20.65 ? 113 VAL D CG1 1 ATOM 10308 C CG2 . VAL D 1 114 ? -5.207 12.776 1.634 1.00 18.28 ? 113 VAL D CG2 1 ATOM 10309 N N . GLY D 1 115 ? -7.572 16.319 3.570 1.00 20.97 ? 114 GLY D N 1 ATOM 10310 C CA . GLY D 1 115 ? -8.253 17.164 4.532 1.00 22.83 ? 114 GLY D CA 1 ATOM 10311 C C . GLY D 1 115 ? -9.776 17.054 4.467 1.00 23.56 ? 114 GLY D C 1 ATOM 10312 O O . GLY D 1 115 ? -10.442 17.250 5.476 1.00 25.64 ? 114 GLY D O 1 ATOM 10313 N N . TRP D 1 116 ? -10.314 16.745 3.293 1.00 22.72 ? 115 TRP D N 1 ATOM 10314 C CA . TRP D 1 116 ? -11.743 16.540 3.090 1.00 23.10 ? 115 TRP D CA 1 ATOM 10315 C C . TRP D 1 116 ? -12.206 15.130 3.435 1.00 24.09 ? 115 TRP D C 1 ATOM 10316 O O . TRP D 1 116 ? -13.401 14.850 3.373 1.00 25.62 ? 115 TRP D O 1 ATOM 10317 C CB . TRP D 1 116 ? -12.142 16.835 1.636 1.00 23.13 ? 115 TRP D CB 1 ATOM 10318 C CG . TRP D 1 116 ? -11.786 18.199 1.166 1.00 22.75 ? 115 TRP D CG 1 ATOM 10319 C CD1 . TRP D 1 116 ? -11.606 19.325 1.939 1.00 24.02 ? 115 TRP D CD1 1 ATOM 10320 C CD2 . TRP D 1 116 ? -11.613 18.608 -0.179 1.00 22.61 ? 115 TRP D CD2 1 ATOM 10321 N NE1 . TRP D 1 116 ? -11.301 20.403 1.142 1.00 24.17 ? 115 TRP D NE1 1 ATOM 10322 C CE2 . TRP D 1 116 ? -11.271 19.982 -0.165 1.00 23.24 ? 115 TRP D CE2 1 ATOM 10323 C CE3 . TRP D 1 116 ? -11.661 17.938 -1.394 1.00 22.55 ? 115 TRP D CE3 1 ATOM 10324 C CZ2 . TRP D 1 116 ? -11.015 20.695 -1.324 1.00 23.46 ? 115 TRP D CZ2 1 ATOM 10325 C CZ3 . TRP D 1 116 ? -11.398 18.637 -2.546 1.00 22.77 ? 115 TRP D CZ3 1 ATOM 10326 C CH2 . TRP D 1 116 ? -11.079 20.018 -2.499 1.00 23.58 ? 115 TRP D CH2 1 ATOM 10327 N N . GLY D 1 117 ? -11.287 14.245 3.805 1.00 22.99 ? 116 GLY D N 1 ATOM 10328 C CA . GLY D 1 117 ? -11.653 12.906 4.256 1.00 23.39 ? 116 GLY D CA 1 ATOM 10329 C C . GLY D 1 117 ? -11.232 11.756 3.380 1.00 22.07 ? 116 GLY D C 1 ATOM 10330 O O . GLY D 1 117 ? -11.572 10.612 3.697 1.00 22.09 ? 116 GLY D O 1 ATOM 10331 N N . TYR D 1 118 ? -10.486 12.025 2.296 1.00 20.72 ? 117 TYR D N 1 ATOM 10332 C CA . TYR D 1 118 ? -9.984 10.985 1.418 1.00 19.54 ? 117 TYR D CA 1 ATOM 10333 C C . TYR D 1 118 ? -8.785 10.313 2.046 1.00 20.17 ? 117 TYR D C 1 ATOM 10334 O O . TYR D 1 118 ? -8.114 10.912 2.894 1.00 20.22 ? 117 TYR D O 1 ATOM 10335 C CB . TYR D 1 118 ? -9.599 11.546 0.014 1.00 18.80 ? 117 TYR D CB 1 ATOM 10336 C CG . TYR D 1 118 ? -10.809 11.766 -0.839 1.00 19.03 ? 117 TYR D CG 1 ATOM 10337 C CD1 . TYR D 1 118 ? -11.561 12.929 -0.723 1.00 20.04 ? 117 TYR D CD1 1 ATOM 10338 C CD2 . TYR D 1 118 ? -11.245 10.777 -1.728 1.00 19.07 ? 117 TYR D CD2 1 ATOM 10339 C CE1 . TYR D 1 118 ? -12.704 13.130 -1.474 1.00 19.96 ? 117 TYR D CE1 1 ATOM 10340 C CE2 . TYR D 1 118 ? -12.390 10.961 -2.495 1.00 19.13 ? 117 TYR D CE2 1 ATOM 10341 C CZ . TYR D 1 118 ? -13.128 12.130 -2.348 1.00 19.84 ? 117 TYR D CZ 1 ATOM 10342 O OH . TYR D 1 118 ? -14.278 12.320 -3.064 1.00 20.57 ? 117 TYR D OH 1 ATOM 10343 N N . THR D 1 119 ? -8.481 9.106 1.556 1.00 19.53 ? 118 THR D N 1 ATOM 10344 C CA . THR D 1 119 ? -7.369 8.293 2.039 1.00 19.66 ? 118 THR D CA 1 ATOM 10345 C C . THR D 1 119 ? -6.469 7.904 0.863 1.00 18.46 ? 118 THR D C 1 ATOM 10346 O O . THR D 1 119 ? -6.923 7.226 -0.061 1.00 17.60 ? 118 THR D O 1 ATOM 10347 C CB . THR D 1 119 ? -7.897 7.016 2.750 1.00 20.79 ? 118 THR D CB 1 ATOM 10348 O OG1 . THR D 1 119 ? -8.708 7.392 3.860 1.00 22.55 ? 118 THR D OG1 1 ATOM 10349 C CG2 . THR D 1 119 ? -6.770 6.140 3.255 1.00 20.95 ? 118 THR D CG2 1 ATOM 10350 N N . ARG D 1 120 ? -5.188 8.323 0.904 1.00 17.82 ? 119 ARG D N 1 ATOM 10351 C CA . ARG D 1 120 ? -4.221 8.033 -0.158 1.00 17.26 ? 119 ARG D CA 1 ATOM 10352 C C . ARG D 1 120 ? -4.106 6.551 -0.440 1.00 17.64 ? 119 ARG D C 1 ATOM 10353 O O . ARG D 1 120 ? -3.964 5.751 0.489 1.00 17.70 ? 119 ARG D O 1 ATOM 10354 C CB . ARG D 1 120 ? -2.813 8.522 0.196 1.00 17.37 ? 119 ARG D CB 1 ATOM 10355 C CG . ARG D 1 120 ? -2.626 10.022 0.108 1.00 17.11 ? 119 ARG D CG 1 ATOM 10356 C CD . ARG D 1 120 ? -1.259 10.390 0.656 1.00 16.86 ? 119 ARG D CD 1 ATOM 10357 N NE . ARG D 1 120 ? -0.937 11.781 0.374 1.00 16.97 ? 119 ARG D NE 1 ATOM 10358 C CZ . ARG D 1 120 ? -1.143 12.815 1.183 1.00 17.58 ? 119 ARG D CZ 1 ATOM 10359 N NH1 . ARG D 1 120 ? -1.642 12.652 2.404 1.00 18.18 ? 119 ARG D NH1 1 ATOM 10360 N NH2 . ARG D 1 120 ? -0.828 14.012 0.771 1.00 18.09 ? 119 ARG D NH2 1 ATOM 10361 N N . GLY D 1 121 ? -4.252 6.165 -1.705 1.00 17.30 ? 120 GLY D N 1 ATOM 10362 C CA . GLY D 1 121 ? -4.106 4.734 -2.116 1.00 17.85 ? 120 GLY D CA 1 ATOM 10363 C C . GLY D 1 121 ? -5.359 3.911 -1.958 1.00 18.36 ? 120 GLY D C 1 ATOM 10364 O O . GLY D 1 121 ? -5.398 2.720 -2.316 1.00 19.76 ? 120 GLY D O 1 ATOM 10365 N N A GLU D 1 122 ? -6.392 4.506 -1.361 0.50 17.54 ? 121 GLU D N 1 ATOM 10366 N N B GLU D 1 122 ? -6.393 4.538 -1.435 0.50 18.76 ? 121 GLU D N 1 ATOM 10367 C CA A GLU D 1 122 ? -7.667 3.831 -1.155 0.50 17.01 ? 121 GLU D CA 1 ATOM 10368 C CA B GLU D 1 122 ? -7.613 3.832 -1.206 0.50 18.90 ? 121 GLU D CA 1 ATOM 10369 C C A GLU D 1 122 ? -8.728 4.506 -2.032 0.50 16.64 ? 121 GLU D C 1 ATOM 10370 C C B GLU D 1 122 ? -8.700 4.537 -2.045 0.50 17.59 ? 121 GLU D C 1 ATOM 10371 O O A GLU D 1 122 ? -8.894 4.118 -3.187 0.50 16.31 ? 121 GLU D O 1 ATOM 10372 O O B GLU D 1 122 ? -8.802 4.234 -3.236 0.50 16.90 ? 121 GLU D O 1 ATOM 10373 C CB A GLU D 1 122 ? -8.049 3.801 0.340 0.50 17.17 ? 121 GLU D CB 1 ATOM 10374 C CB B GLU D 1 122 ? -7.787 3.641 0.318 0.50 20.68 ? 121 GLU D CB 1 ATOM 10375 C CG A GLU D 1 122 ? -7.227 2.857 1.194 0.50 16.83 ? 121 GLU D CG 1 ATOM 10376 C CG B GLU D 1 122 ? -6.490 2.990 0.888 0.50 21.88 ? 121 GLU D CG 1 ATOM 10377 C CD A GLU D 1 122 ? -7.734 1.425 1.175 0.50 16.71 ? 121 GLU D CD 1 ATOM 10378 C CD B GLU D 1 122 ? -6.548 2.472 2.323 0.50 24.25 ? 121 GLU D CD 1 ATOM 10379 O OE1 A GLU D 1 122 ? -8.849 1.169 0.611 0.50 16.08 ? 121 GLU D OE1 1 ATOM 10380 O OE1 B GLU D 1 122 ? -7.612 2.680 2.954 0.50 26.83 ? 121 GLU D OE1 1 ATOM 10381 O OE2 A GLU D 1 122 ? -7.006 0.547 1.714 0.50 16.33 ? 121 GLU D OE2 1 ATOM 10382 O OE2 B GLU D 1 122 ? -5.521 1.855 2.817 0.50 23.35 ? 121 GLU D OE2 1 ATOM 10383 N N . ASP D 1 123 ? -9.431 5.511 -1.515 1.00 17.04 ? 122 ASP D N 1 ATOM 10384 C CA . ASP D 1 123 ? -10.500 6.137 -2.289 1.00 17.05 ? 122 ASP D CA 1 ATOM 10385 C C . ASP D 1 123 ? -10.013 7.330 -3.151 1.00 16.06 ? 122 ASP D C 1 ATOM 10386 O O . ASP D 1 123 ? -10.802 7.936 -3.843 1.00 14.97 ? 122 ASP D O 1 ATOM 10387 C CB . ASP D 1 123 ? -11.726 6.459 -1.432 1.00 18.04 ? 122 ASP D CB 1 ATOM 10388 C CG . ASP D 1 123 ? -11.425 7.331 -0.262 1.00 19.23 ? 122 ASP D CG 1 ATOM 10389 O OD1 . ASP D 1 123 ? -10.249 7.707 -0.025 1.00 20.47 ? 122 ASP D OD1 1 ATOM 10390 O OD2 . ASP D 1 123 ? -12.381 7.665 0.448 1.00 19.91 ? 122 ASP D OD2 1 ATOM 10391 N N . VAL D 1 124 ? -8.728 7.677 -3.033 1.00 15.28 ? 123 VAL D N 1 ATOM 10392 C CA . VAL D 1 124 ? -8.065 8.506 -4.018 1.00 15.82 ? 123 VAL D CA 1 ATOM 10393 C C . VAL D 1 124 ? -6.852 7.732 -4.497 1.00 14.97 ? 123 VAL D C 1 ATOM 10394 O O . VAL D 1 124 ? -6.006 7.340 -3.682 1.00 15.41 ? 123 VAL D O 1 ATOM 10395 C CB . VAL D 1 124 ? -7.721 9.938 -3.548 1.00 16.21 ? 123 VAL D CB 1 ATOM 10396 C CG1 . VAL D 1 124 ? -6.832 9.968 -2.303 1.00 16.33 ? 123 VAL D CG1 1 ATOM 10397 C CG2 . VAL D 1 124 ? -7.084 10.696 -4.693 1.00 16.07 ? 123 VAL D CG2 1 ATOM 10398 N N . ARG D 1 125 ? -6.789 7.498 -5.812 1.00 14.59 ? 124 ARG D N 1 ATOM 10399 C CA . ARG D 1 125 ? -5.662 6.757 -6.434 1.00 14.71 ? 124 ARG D CA 1 ATOM 10400 C C . ARG D 1 125 ? -5.153 7.462 -7.665 1.00 14.93 ? 124 ARG D C 1 ATOM 10401 O O . ARG D 1 125 ? -5.942 8.107 -8.391 1.00 15.29 ? 124 ARG D O 1 ATOM 10402 C CB . ARG D 1 125 ? -6.100 5.359 -6.826 1.00 14.39 ? 124 ARG D CB 1 ATOM 10403 C CG . ARG D 1 125 ? -6.606 4.546 -5.638 1.00 15.25 ? 124 ARG D CG 1 ATOM 10404 C CD . ARG D 1 125 ? -6.843 3.092 -6.017 1.00 15.38 ? 124 ARG D CD 1 ATOM 10405 N NE . ARG D 1 125 ? -7.603 2.384 -5.011 1.00 15.84 ? 124 ARG D NE 1 ATOM 10406 C CZ . ARG D 1 125 ? -7.836 1.077 -5.033 1.00 17.03 ? 124 ARG D CZ 1 ATOM 10407 N NH1 . ARG D 1 125 ? -7.360 0.305 -6.022 1.00 17.59 ? 124 ARG D NH1 1 ATOM 10408 N NH2 . ARG D 1 125 ? -8.558 0.528 -4.076 1.00 17.58 ? 124 ARG D NH2 1 ATOM 10409 N N . GLY D 1 126 ? -3.854 7.347 -7.905 1.00 14.49 ? 125 GLY D N 1 ATOM 10410 C CA . GLY D 1 126 ? -3.283 7.855 -9.151 1.00 14.56 ? 125 GLY D CA 1 ATOM 10411 C C . GLY D 1 126 ? -3.239 6.832 -10.258 1.00 14.68 ? 125 GLY D C 1 ATOM 10412 O O . GLY D 1 126 ? -3.133 5.611 -10.010 1.00 14.62 ? 125 GLY D O 1 ATOM 10413 N N . ALA D 1 127 ? -3.316 7.326 -11.484 1.00 14.33 ? 126 ALA D N 1 ATOM 10414 C CA . ALA D 1 127 ? -3.162 6.507 -12.687 1.00 13.95 ? 126 ALA D CA 1 ATOM 10415 C C . ALA D 1 127 ? -1.979 7.042 -13.533 1.00 13.90 ? 126 ALA D C 1 ATOM 10416 O O . ALA D 1 127 ? -2.168 7.556 -14.637 1.00 14.36 ? 126 ALA D O 1 ATOM 10417 C CB . ALA D 1 127 ? -4.469 6.489 -13.465 1.00 14.40 ? 126 ALA D CB 1 ATOM 10418 N N . PRO D 1 128 ? -0.750 6.931 -12.996 1.00 13.36 ? 127 PRO D N 1 ATOM 10419 C CA . PRO D 1 128 ? 0.447 7.323 -13.753 1.00 12.95 ? 127 PRO D CA 1 ATOM 10420 C C . PRO D 1 128 ? 0.712 6.416 -14.963 1.00 13.33 ? 127 PRO D C 1 ATOM 10421 O O . PRO D 1 128 ? 0.281 5.241 -14.987 1.00 13.11 ? 127 PRO D O 1 ATOM 10422 C CB . PRO D 1 128 ? 1.571 7.181 -12.726 1.00 13.18 ? 127 PRO D CB 1 ATOM 10423 C CG . PRO D 1 128 ? 1.096 6.073 -11.838 1.00 13.27 ? 127 PRO D CG 1 ATOM 10424 C CD . PRO D 1 128 ? -0.390 6.348 -11.692 1.00 13.16 ? 127 PRO D CD 1 ATOM 10425 N N . TYR D 1 129 ? 1.414 6.960 -15.964 1.00 13.29 ? 128 TYR D N 1 ATOM 10426 C CA . TYR D 1 129 ? 1.679 6.225 -17.182 1.00 12.96 ? 128 TYR D CA 1 ATOM 10427 C C . TYR D 1 129 ? 2.984 6.699 -17.789 1.00 13.43 ? 128 TYR D C 1 ATOM 10428 O O . TYR D 1 129 ? 3.564 7.700 -17.357 1.00 12.95 ? 128 TYR D O 1 ATOM 10429 C CB . TYR D 1 129 ? 0.518 6.356 -18.183 1.00 13.27 ? 128 TYR D CB 1 ATOM 10430 C CG . TYR D 1 129 ? 0.172 7.790 -18.537 1.00 12.76 ? 128 TYR D CG 1 ATOM 10431 C CD1 . TYR D 1 129 ? -0.658 8.552 -17.712 1.00 13.26 ? 128 TYR D CD1 1 ATOM 10432 C CD2 . TYR D 1 129 ? 0.670 8.382 -19.682 1.00 13.44 ? 128 TYR D CD2 1 ATOM 10433 C CE1 . TYR D 1 129 ? -0.966 9.868 -18.034 1.00 13.49 ? 128 TYR D CE1 1 ATOM 10434 C CE2 . TYR D 1 129 ? 0.350 9.694 -20.029 1.00 13.12 ? 128 TYR D CE2 1 ATOM 10435 C CZ . TYR D 1 129 ? -0.441 10.435 -19.199 1.00 13.52 ? 128 TYR D CZ 1 ATOM 10436 O OH . TYR D 1 129 ? -0.755 11.753 -19.519 1.00 13.63 ? 128 TYR D OH 1 ATOM 10437 N N . ASP D 1 130 ? 3.457 5.978 -18.800 1.00 13.52 ? 129 ASP D N 1 ATOM 10438 C CA . ASP D 1 130 ? 4.665 6.398 -19.524 1.00 14.85 ? 129 ASP D CA 1 ATOM 10439 C C . ASP D 1 130 ? 4.241 7.484 -20.515 1.00 14.39 ? 129 ASP D C 1 ATOM 10440 O O . ASP D 1 130 ? 3.798 7.200 -21.628 1.00 13.92 ? 129 ASP D O 1 ATOM 10441 C CB . ASP D 1 130 ? 5.308 5.216 -20.257 1.00 16.27 ? 129 ASP D CB 1 ATOM 10442 C CG . ASP D 1 130 ? 6.651 5.585 -20.880 1.00 18.24 ? 129 ASP D CG 1 ATOM 10443 O OD1 . ASP D 1 130 ? 6.971 6.786 -21.013 1.00 17.06 ? 129 ASP D OD1 1 ATOM 10444 O OD2 . ASP D 1 130 ? 7.416 4.644 -21.172 1.00 19.78 ? 129 ASP D OD2 1 ATOM 10445 N N . TRP D 1 131 ? 4.370 8.717 -20.066 1.00 14.01 ? 130 TRP D N 1 ATOM 10446 C CA . TRP D 1 131 ? 3.878 9.878 -20.789 1.00 14.28 ? 130 TRP D CA 1 ATOM 10447 C C . TRP D 1 131 ? 4.745 10.240 -22.026 1.00 14.67 ? 130 TRP D C 1 ATOM 10448 O O . TRP D 1 131 ? 4.384 11.146 -22.779 1.00 14.72 ? 130 TRP D O 1 ATOM 10449 C CB . TRP D 1 131 ? 3.765 11.075 -19.851 1.00 14.39 ? 130 TRP D CB 1 ATOM 10450 C CG . TRP D 1 131 ? 4.863 11.138 -18.812 1.00 14.66 ? 130 TRP D CG 1 ATOM 10451 C CD1 . TRP D 1 131 ? 4.749 10.816 -17.487 1.00 14.94 ? 130 TRP D CD1 1 ATOM 10452 C CD2 . TRP D 1 131 ? 6.247 11.532 -19.008 1.00 15.13 ? 130 TRP D CD2 1 ATOM 10453 N NE1 . TRP D 1 131 ? 5.941 10.984 -16.857 1.00 15.62 ? 130 TRP D NE1 1 ATOM 10454 C CE2 . TRP D 1 131 ? 6.887 11.408 -17.758 1.00 15.51 ? 130 TRP D CE2 1 ATOM 10455 C CE3 . TRP D 1 131 ? 6.982 11.978 -20.110 1.00 15.21 ? 130 TRP D CE3 1 ATOM 10456 C CZ2 . TRP D 1 131 ? 8.230 11.713 -17.565 1.00 16.14 ? 130 TRP D CZ2 1 ATOM 10457 C CZ3 . TRP D 1 131 ? 8.336 12.290 -19.926 1.00 16.40 ? 130 TRP D CZ3 1 ATOM 10458 C CH2 . TRP D 1 131 ? 8.948 12.152 -18.646 1.00 16.26 ? 130 TRP D CH2 1 ATOM 10459 N N . ARG D 1 132 ? 5.823 9.496 -22.275 1.00 14.56 ? 131 ARG D N 1 ATOM 10460 C CA . ARG D 1 132 ? 6.577 9.651 -23.514 1.00 15.52 ? 131 ARG D CA 1 ATOM 10461 C C . ARG D 1 132 ? 5.816 9.068 -24.702 1.00 15.62 ? 131 ARG D C 1 ATOM 10462 O O . ARG D 1 132 ? 6.093 9.414 -25.860 1.00 16.34 ? 131 ARG D O 1 ATOM 10463 C CB . ARG D 1 132 ? 7.956 8.978 -23.390 1.00 15.84 ? 131 ARG D CB 1 ATOM 10464 C CG . ARG D 1 132 ? 8.821 9.568 -22.280 1.00 16.72 ? 131 ARG D CG 1 ATOM 10465 C CD . ARG D 1 132 ? 10.056 8.727 -22.002 1.00 16.94 ? 131 ARG D CD 1 ATOM 10466 N NE . ARG D 1 132 ? 9.700 7.351 -21.688 1.00 16.98 ? 131 ARG D NE 1 ATOM 10467 C CZ . ARG D 1 132 ? 10.533 6.319 -21.733 1.00 18.69 ? 131 ARG D CZ 1 ATOM 10468 N NH1 . ARG D 1 132 ? 11.822 6.489 -22.058 1.00 20.09 ? 131 ARG D NH1 1 ATOM 10469 N NH2 . ARG D 1 132 ? 10.082 5.098 -21.491 1.00 19.01 ? 131 ARG D NH2 1 ATOM 10470 N N . ARG D 1 133 ? 4.912 8.124 -24.421 1.00 15.79 ? 132 ARG D N 1 ATOM 10471 C CA . ARG D 1 133 ? 4.158 7.437 -25.432 1.00 16.40 ? 132 ARG D CA 1 ATOM 10472 C C . ARG D 1 133 ? 2.739 7.986 -25.541 1.00 15.86 ? 132 ARG D C 1 ATOM 10473 O O . ARG D 1 133 ? 2.227 8.616 -24.608 1.00 15.37 ? 132 ARG D O 1 ATOM 10474 C CB . ARG D 1 133 ? 4.116 5.949 -25.095 1.00 19.21 ? 132 ARG D CB 1 ATOM 10475 C CG . ARG D 1 133 ? 5.453 5.295 -25.395 1.00 23.15 ? 132 ARG D CG 1 ATOM 10476 C CD . ARG D 1 133 ? 5.605 3.927 -24.784 1.00 27.58 ? 132 ARG D CD 1 ATOM 10477 N NE . ARG D 1 133 ? 6.593 3.155 -25.543 1.00 31.81 ? 132 ARG D NE 1 ATOM 10478 C CZ . ARG D 1 133 ? 7.063 1.964 -25.188 1.00 34.53 ? 132 ARG D CZ 1 ATOM 10479 N NH1 . ARG D 1 133 ? 6.666 1.382 -24.064 1.00 36.01 ? 132 ARG D NH1 1 ATOM 10480 N NH2 . ARG D 1 133 ? 7.927 1.353 -25.971 1.00 36.03 ? 132 ARG D NH2 1 ATOM 10481 N N . ALA D 1 134 ? 2.119 7.715 -26.686 1.00 15.40 ? 133 ALA D N 1 ATOM 10482 C CA . ALA D 1 134 ? 0.713 8.049 -26.912 1.00 15.25 ? 133 ALA D CA 1 ATOM 10483 C C . ALA D 1 134 ? -0.128 6.816 -26.610 1.00 14.81 ? 133 ALA D C 1 ATOM 10484 O O . ALA D 1 134 ? 0.420 5.747 -26.343 1.00 14.52 ? 133 ALA D O 1 ATOM 10485 C CB . ALA D 1 134 ? 0.518 8.494 -28.349 1.00 15.45 ? 133 ALA D CB 1 ATOM 10486 N N . PRO D 1 135 ? -1.466 6.952 -26.626 1.00 15.29 ? 134 PRO D N 1 ATOM 10487 C CA . PRO D 1 135 ? -2.288 5.834 -26.168 1.00 15.50 ? 134 PRO D CA 1 ATOM 10488 C C . PRO D 1 135 ? -2.158 4.520 -26.927 1.00 16.50 ? 134 PRO D C 1 ATOM 10489 O O . PRO D 1 135 ? -2.384 3.457 -26.326 1.00 16.66 ? 134 PRO D O 1 ATOM 10490 C CB . PRO D 1 135 ? -3.714 6.396 -26.269 1.00 15.68 ? 134 PRO D CB 1 ATOM 10491 C CG . PRO D 1 135 ? -3.512 7.841 -25.978 1.00 15.33 ? 134 PRO D CG 1 ATOM 10492 C CD . PRO D 1 135 ? -2.243 8.209 -26.673 1.00 15.30 ? 134 PRO D CD 1 ATOM 10493 N N . ASN D 1 136 ? -1.733 4.573 -28.191 1.00 16.86 ? 135 ASN D N 1 ATOM 10494 C CA . ASN D 1 136 ? -1.537 3.378 -28.972 1.00 18.29 ? 135 ASN D CA 1 ATOM 10495 C C . ASN D 1 136 ? -0.475 2.440 -28.416 1.00 19.34 ? 135 ASN D C 1 ATOM 10496 O O . ASN D 1 136 ? -0.498 1.244 -28.727 1.00 19.99 ? 135 ASN D O 1 ATOM 10497 C CB . ASN D 1 136 ? -1.189 3.711 -30.434 1.00 18.30 ? 135 ASN D CB 1 ATOM 10498 C CG . ASN D 1 136 ? 0.111 4.488 -30.573 1.00 18.90 ? 135 ASN D CG 1 ATOM 10499 O OD1 . ASN D 1 136 ? 0.411 5.360 -29.773 1.00 19.05 ? 135 ASN D OD1 1 ATOM 10500 N ND2 . ASN D 1 136 ? 0.912 4.136 -31.563 1.00 21.73 ? 135 ASN D ND2 1 ATOM 10501 N N . GLU D 1 137 ? 0.446 2.958 -27.601 1.00 19.01 ? 136 GLU D N 1 ATOM 10502 C CA . GLU D 1 137 ? 1.451 2.128 -26.962 1.00 19.81 ? 136 GLU D CA 1 ATOM 10503 C C . GLU D 1 137 ? 1.301 2.053 -25.442 1.00 19.81 ? 136 GLU D C 1 ATOM 10504 O O . GLU D 1 137 ? 2.257 1.775 -24.723 1.00 21.78 ? 136 GLU D O 1 ATOM 10505 C CB . GLU D 1 137 ? 2.844 2.623 -27.353 1.00 21.44 ? 136 GLU D CB 1 ATOM 10506 C CG . GLU D 1 137 ? 3.086 2.461 -28.843 1.00 24.48 ? 136 GLU D CG 1 ATOM 10507 C CD . GLU D 1 137 ? 4.516 2.772 -29.256 1.00 28.83 ? 136 GLU D CD 1 ATOM 10508 O OE1 . GLU D 1 137 ? 4.980 3.930 -29.176 1.00 27.10 ? 136 GLU D OE1 1 ATOM 10509 O OE2 . GLU D 1 137 ? 5.181 1.811 -29.664 1.00 36.55 ? 136 GLU D OE2 1 ATOM 10510 N N . ASN D 1 138 ? 0.083 2.249 -24.967 1.00 19.05 ? 137 ASN D N 1 ATOM 10511 C CA . ASN D 1 138 ? -0.222 2.148 -23.558 1.00 18.29 ? 137 ASN D CA 1 ATOM 10512 C C . ASN D 1 138 ? -1.493 1.342 -23.330 1.00 18.45 ? 137 ASN D C 1 ATOM 10513 O O . ASN D 1 138 ? -2.235 1.581 -22.375 1.00 18.39 ? 137 ASN D O 1 ATOM 10514 C CB . ASN D 1 138 ? -0.276 3.558 -22.930 1.00 18.13 ? 137 ASN D CB 1 ATOM 10515 C CG . ASN D 1 138 ? 1.041 3.928 -22.242 1.00 19.89 ? 137 ASN D CG 1 ATOM 10516 O OD1 . ASN D 1 138 ? 1.621 3.099 -21.564 1.00 22.05 ? 137 ASN D OD1 1 ATOM 10517 N ND2 . ASN D 1 138 ? 1.497 5.172 -22.394 1.00 17.87 ? 137 ASN D ND2 1 ATOM 10518 N N . GLY D 1 139 ? -1.680 0.300 -24.152 1.00 19.05 ? 138 GLY D N 1 ATOM 10519 C CA . GLY D 1 139 ? -2.816 -0.619 -24.010 1.00 19.19 ? 138 GLY D CA 1 ATOM 10520 C C . GLY D 1 139 ? -2.946 -1.206 -22.605 1.00 18.96 ? 138 GLY D C 1 ATOM 10521 O O . GLY D 1 139 ? -4.034 -1.169 -22.003 1.00 18.02 ? 138 GLY D O 1 ATOM 10522 N N . PRO D 1 140 ? -1.853 -1.757 -22.062 1.00 19.32 ? 139 PRO D N 1 ATOM 10523 C CA . PRO D 1 140 ? -1.926 -2.340 -20.705 1.00 19.28 ? 139 PRO D CA 1 ATOM 10524 C C . PRO D 1 140 ? -2.352 -1.338 -19.601 1.00 18.70 ? 139 PRO D C 1 ATOM 10525 O O . PRO D 1 140 ? -3.136 -1.691 -18.705 1.00 18.78 ? 139 PRO D O 1 ATOM 10526 C CB . PRO D 1 140 ? -0.504 -2.874 -20.478 1.00 20.22 ? 139 PRO D CB 1 ATOM 10527 C CG . PRO D 1 140 ? -0.047 -3.208 -21.878 1.00 20.37 ? 139 PRO D CG 1 ATOM 10528 C CD . PRO D 1 140 ? -0.580 -2.095 -22.733 1.00 20.17 ? 139 PRO D CD 1 ATOM 10529 N N . TYR D 1 141 ? -1.910 -0.087 -19.717 1.00 16.66 ? 140 TYR D N 1 ATOM 10530 C CA . TYR D 1 141 ? -2.370 0.978 -18.825 1.00 16.10 ? 140 TYR D CA 1 ATOM 10531 C C . TYR D 1 141 ? -3.906 1.116 -18.826 1.00 15.56 ? 140 TYR D C 1 ATOM 10532 O O . TYR D 1 141 ? -4.517 1.202 -17.757 1.00 15.36 ? 140 TYR D O 1 ATOM 10533 C CB . TYR D 1 141 ? -1.745 2.306 -19.230 1.00 15.49 ? 140 TYR D CB 1 ATOM 10534 C CG . TYR D 1 141 ? -2.348 3.519 -18.571 1.00 14.61 ? 140 TYR D CG 1 ATOM 10535 C CD1 . TYR D 1 141 ? -1.966 3.898 -17.288 1.00 14.51 ? 140 TYR D CD1 1 ATOM 10536 C CD2 . TYR D 1 141 ? -3.267 4.318 -19.242 1.00 14.78 ? 140 TYR D CD2 1 ATOM 10537 C CE1 . TYR D 1 141 ? -2.501 5.025 -16.689 1.00 14.25 ? 140 TYR D CE1 1 ATOM 10538 C CE2 . TYR D 1 141 ? -3.788 5.449 -18.639 1.00 15.10 ? 140 TYR D CE2 1 ATOM 10539 C CZ . TYR D 1 141 ? -3.410 5.788 -17.364 1.00 14.43 ? 140 TYR D CZ 1 ATOM 10540 O OH . TYR D 1 141 ? -3.926 6.927 -16.766 1.00 15.52 ? 140 TYR D OH 1 ATOM 10541 N N . PHE D 1 142 ? -4.526 1.129 -20.002 1.00 15.81 ? 141 PHE D N 1 ATOM 10542 C CA . PHE D 1 142 ? -5.981 1.295 -20.084 1.00 16.39 ? 141 PHE D CA 1 ATOM 10543 C C . PHE D 1 142 ? -6.740 0.098 -19.509 1.00 17.48 ? 141 PHE D C 1 ATOM 10544 O O . PHE D 1 142 ? -7.810 0.267 -18.891 1.00 17.38 ? 141 PHE D O 1 ATOM 10545 C CB . PHE D 1 142 ? -6.436 1.603 -21.506 1.00 16.78 ? 141 PHE D CB 1 ATOM 10546 C CG . PHE D 1 142 ? -5.895 2.917 -22.009 1.00 16.83 ? 141 PHE D CG 1 ATOM 10547 C CD1 . PHE D 1 142 ? -6.309 4.097 -21.428 1.00 16.53 ? 141 PHE D CD1 1 ATOM 10548 C CD2 . PHE D 1 142 ? -4.955 2.964 -23.023 1.00 16.77 ? 141 PHE D CD2 1 ATOM 10549 C CE1 . PHE D 1 142 ? -5.813 5.303 -21.850 1.00 16.44 ? 141 PHE D CE1 1 ATOM 10550 C CE2 . PHE D 1 142 ? -4.437 4.171 -23.446 1.00 16.27 ? 141 PHE D CE2 1 ATOM 10551 C CZ . PHE D 1 142 ? -4.871 5.342 -22.860 1.00 16.38 ? 141 PHE D CZ 1 ATOM 10552 N N . LEU D 1 143 ? -6.205 -1.111 -19.711 1.00 18.34 ? 142 LEU D N 1 ATOM 10553 C CA . LEU D 1 143 ? -6.781 -2.291 -19.064 1.00 20.01 ? 142 LEU D CA 1 ATOM 10554 C C . LEU D 1 143 ? -6.699 -2.176 -17.537 1.00 18.05 ? 142 LEU D C 1 ATOM 10555 O O . LEU D 1 143 ? -7.692 -2.424 -16.839 1.00 18.27 ? 142 LEU D O 1 ATOM 10556 C CB . LEU D 1 143 ? -6.116 -3.593 -19.551 1.00 22.08 ? 142 LEU D CB 1 ATOM 10557 C CG . LEU D 1 143 ? -6.217 -3.882 -21.053 1.00 26.52 ? 142 LEU D CG 1 ATOM 10558 C CD1 . LEU D 1 143 ? -5.251 -5.001 -21.476 1.00 29.03 ? 142 LEU D CD1 1 ATOM 10559 C CD2 . LEU D 1 143 ? -7.637 -4.244 -21.400 1.00 28.69 ? 142 LEU D CD2 1 ATOM 10560 N N . ALA D 1 144 ? -5.544 -1.773 -17.017 1.00 16.76 ? 143 ALA D N 1 ATOM 10561 C CA . ALA D 1 144 ? -5.369 -1.583 -15.575 1.00 16.59 ? 143 ALA D CA 1 ATOM 10562 C C . ALA D 1 144 ? -6.278 -0.482 -15.029 1.00 15.74 ? 143 ALA D C 1 ATOM 10563 O O . ALA D 1 144 ? -6.776 -0.577 -13.914 1.00 15.76 ? 143 ALA D O 1 ATOM 10564 C CB . ALA D 1 144 ? -3.908 -1.249 -15.246 1.00 16.99 ? 143 ALA D CB 1 ATOM 10565 N N . LEU D 1 145 ? -6.430 0.593 -15.783 1.00 15.30 ? 144 LEU D N 1 ATOM 10566 C CA . LEU D 1 145 ? -7.291 1.704 -15.368 1.00 15.35 ? 144 LEU D CA 1 ATOM 10567 C C . LEU D 1 145 ? -8.759 1.239 -15.256 1.00 15.88 ? 144 LEU D C 1 ATOM 10568 O O . LEU D 1 145 ? -9.447 1.537 -14.269 1.00 15.59 ? 144 LEU D O 1 ATOM 10569 C CB . LEU D 1 145 ? -7.165 2.862 -16.343 1.00 15.47 ? 144 LEU D CB 1 ATOM 10570 C CG . LEU D 1 145 ? -8.045 4.102 -16.165 1.00 16.04 ? 144 LEU D CG 1 ATOM 10571 C CD1 . LEU D 1 145 ? -7.795 4.732 -14.805 1.00 16.38 ? 144 LEU D CD1 1 ATOM 10572 C CD2 . LEU D 1 145 ? -7.794 5.137 -17.255 1.00 16.28 ? 144 LEU D CD2 1 ATOM 10573 N N . ARG D 1 146 ? -9.222 0.508 -16.260 1.00 16.58 ? 145 ARG D N 1 ATOM 10574 C CA . ARG D 1 146 ? -10.578 -0.047 -16.242 1.00 17.85 ? 145 ARG D CA 1 ATOM 10575 C C . ARG D 1 146 ? -10.769 -0.952 -15.008 1.00 17.94 ? 145 ARG D C 1 ATOM 10576 O O . ARG D 1 146 ? -11.759 -0.822 -14.282 1.00 17.86 ? 145 ARG D O 1 ATOM 10577 C CB . ARG D 1 146 ? -10.890 -0.826 -17.513 1.00 19.08 ? 145 ARG D CB 1 ATOM 10578 C CG . ARG D 1 146 ? -12.274 -1.462 -17.529 1.00 21.82 ? 145 ARG D CG 1 ATOM 10579 C CD . ARG D 1 146 ? -12.522 -2.206 -18.845 1.00 25.41 ? 145 ARG D CD 1 ATOM 10580 N NE . ARG D 1 146 ? -13.647 -3.139 -18.749 1.00 28.41 ? 145 ARG D NE 1 ATOM 10581 C CZ . ARG D 1 146 ? -14.823 -3.041 -19.377 1.00 31.31 ? 145 ARG D CZ 1 ATOM 10582 N NH1 . ARG D 1 146 ? -15.096 -2.046 -20.221 1.00 32.51 ? 145 ARG D NH1 1 ATOM 10583 N NH2 . ARG D 1 146 ? -15.753 -3.961 -19.145 1.00 32.90 ? 145 ARG D NH2 1 ATOM 10584 N N A GLU D 1 147 ? -9.818 -1.849 -14.772 0.50 17.73 ? 146 GLU D N 1 ATOM 10585 N N B GLU D 1 147 ? -9.818 -1.843 -14.767 0.50 18.34 ? 146 GLU D N 1 ATOM 10586 C CA A GLU D 1 147 ? -9.881 -2.736 -13.626 0.50 19.09 ? 146 GLU D CA 1 ATOM 10587 C CA B GLU D 1 147 ? -9.882 -2.734 -13.622 0.50 20.03 ? 146 GLU D CA 1 ATOM 10588 C C A GLU D 1 147 ? -9.849 -1.977 -12.296 0.50 18.29 ? 146 GLU D C 1 ATOM 10589 C C B GLU D 1 147 ? -9.843 -1.981 -12.287 0.50 18.82 ? 146 GLU D C 1 ATOM 10590 O O A GLU D 1 147 ? -10.586 -2.322 -11.389 0.50 17.55 ? 146 GLU D O 1 ATOM 10591 O O B GLU D 1 147 ? -10.575 -2.327 -11.372 0.50 17.99 ? 146 GLU D O 1 ATOM 10592 C CB A GLU D 1 147 ? -8.765 -3.784 -13.651 0.50 20.10 ? 146 GLU D CB 1 ATOM 10593 C CB B GLU D 1 147 ? -8.774 -3.789 -13.684 0.50 21.98 ? 146 GLU D CB 1 ATOM 10594 C CG A GLU D 1 147 ? -8.788 -4.694 -12.435 0.50 21.94 ? 146 GLU D CG 1 ATOM 10595 C CG B GLU D 1 147 ? -8.980 -4.759 -14.839 0.50 25.21 ? 146 GLU D CG 1 ATOM 10596 C CD A GLU D 1 147 ? -10.107 -5.449 -12.278 0.50 24.36 ? 146 GLU D CD 1 ATOM 10597 C CD B GLU D 1 147 ? -7.833 -5.737 -15.045 0.50 29.17 ? 146 GLU D CD 1 ATOM 10598 O OE1 A GLU D 1 147 ? -10.661 -5.926 -13.304 0.50 26.33 ? 146 GLU D OE1 1 ATOM 10599 O OE1 B GLU D 1 147 ? -6.680 -5.436 -14.667 0.50 33.16 ? 146 GLU D OE1 1 ATOM 10600 O OE2 A GLU D 1 147 ? -10.606 -5.549 -11.127 0.50 25.45 ? 146 GLU D OE2 1 ATOM 10601 O OE2 B GLU D 1 147 ? -8.082 -6.810 -15.629 0.50 32.13 ? 146 GLU D OE2 1 ATOM 10602 N N . MET D 1 148 ? -9.010 -0.949 -12.191 1.00 17.44 ? 147 MET D N 1 ATOM 10603 C CA . MET D 1 148 ? -8.907 -0.172 -10.969 1.00 17.48 ? 147 MET D CA 1 ATOM 10604 C C . MET D 1 148 ? -10.232 0.560 -10.674 1.00 16.98 ? 147 MET D C 1 ATOM 10605 O O . MET D 1 148 ? -10.684 0.610 -9.533 1.00 15.82 ? 147 MET D O 1 ATOM 10606 C CB . MET D 1 148 ? -7.759 0.838 -11.043 1.00 17.84 ? 147 MET D CB 1 ATOM 10607 C CG . MET D 1 148 ? -7.602 1.669 -9.783 1.00 19.60 ? 147 MET D CG 1 ATOM 10608 S SD . MET D 1 148 ? -6.052 2.584 -9.725 1.00 21.55 ? 147 MET D SD 1 ATOM 10609 C CE . MET D 1 148 ? -6.302 3.855 -10.915 1.00 19.83 ? 147 MET D CE 1 ATOM 10610 N N . ILE D 1 149 ? -10.826 1.136 -11.711 1.00 16.63 ? 148 ILE D N 1 ATOM 10611 C CA . ILE D 1 149 ? -12.107 1.817 -11.581 1.00 16.32 ? 148 ILE D CA 1 ATOM 10612 C C . ILE D 1 149 ? -13.195 0.853 -11.078 1.00 17.03 ? 148 ILE D C 1 ATOM 10613 O O . ILE D 1 149 ? -13.943 1.190 -10.172 1.00 17.04 ? 148 ILE D O 1 ATOM 10614 C CB . ILE D 1 149 ? -12.511 2.508 -12.897 1.00 16.81 ? 148 ILE D CB 1 ATOM 10615 C CG1 . ILE D 1 149 ? -11.641 3.746 -13.093 1.00 16.88 ? 148 ILE D CG1 1 ATOM 10616 C CG2 . ILE D 1 149 ? -13.993 2.916 -12.872 1.00 17.51 ? 148 ILE D CG2 1 ATOM 10617 C CD1 . ILE D 1 149 ? -11.698 4.309 -14.495 1.00 16.99 ? 148 ILE D CD1 1 ATOM 10618 N N . GLU D 1 150 ? -13.268 -0.335 -11.677 1.00 17.48 ? 149 GLU D N 1 ATOM 10619 C CA A GLU D 1 150 ? -14.230 -1.337 -11.244 0.50 18.45 ? 149 GLU D CA 1 ATOM 10620 C CA B GLU D 1 150 ? -14.201 -1.384 -11.260 0.50 19.04 ? 149 GLU D CA 1 ATOM 10621 C C . GLU D 1 150 ? -13.987 -1.773 -9.784 1.00 18.60 ? 149 GLU D C 1 ATOM 10622 O O . GLU D 1 150 ? -14.952 -1.903 -9.009 1.00 18.56 ? 149 GLU D O 1 ATOM 10623 C CB A GLU D 1 150 ? -14.196 -2.536 -12.182 0.50 18.97 ? 149 GLU D CB 1 ATOM 10624 C CB B GLU D 1 150 ? -14.048 -2.608 -12.179 0.50 20.34 ? 149 GLU D CB 1 ATOM 10625 C CG A GLU D 1 150 ? -14.666 -2.182 -13.582 0.50 19.25 ? 149 GLU D CG 1 ATOM 10626 C CG B GLU D 1 150 ? -14.560 -2.335 -13.591 0.50 21.53 ? 149 GLU D CG 1 ATOM 10627 C CD A GLU D 1 150 ? -14.804 -3.391 -14.491 0.50 20.14 ? 149 GLU D CD 1 ATOM 10628 C CD B GLU D 1 150 ? -14.184 -3.385 -14.634 0.50 23.40 ? 149 GLU D CD 1 ATOM 10629 O OE1 A GLU D 1 150 ? -14.531 -4.519 -14.013 0.50 19.40 ? 149 GLU D OE1 1 ATOM 10630 O OE1 B GLU D 1 150 ? -14.871 -3.410 -15.688 0.50 24.87 ? 149 GLU D OE1 1 ATOM 10631 O OE2 A GLU D 1 150 ? -15.146 -3.199 -15.693 0.50 20.60 ? 149 GLU D OE2 1 ATOM 10632 O OE2 B GLU D 1 150 ? -13.232 -4.181 -14.427 0.50 23.77 ? 149 GLU D OE2 1 ATOM 10633 N N A GLU D 1 151 ? -12.718 -1.986 -9.408 0.50 17.63 ? 150 GLU D N 1 ATOM 10634 N N B GLU D 1 151 ? -12.727 -1.950 -9.402 0.50 18.14 ? 150 GLU D N 1 ATOM 10635 C CA A GLU D 1 151 ? -12.353 -2.333 -8.015 0.50 18.24 ? 150 GLU D CA 1 ATOM 10636 C CA B GLU D 1 151 ? -12.384 -2.307 -8.031 0.50 18.97 ? 150 GLU D CA 1 ATOM 10637 C C A GLU D 1 151 ? -12.770 -1.231 -7.038 0.50 17.75 ? 150 GLU D C 1 ATOM 10638 C C B GLU D 1 151 ? -12.799 -1.220 -7.051 0.50 18.17 ? 150 GLU D C 1 ATOM 10639 O O A GLU D 1 151 ? -13.310 -1.530 -5.967 0.50 17.42 ? 150 GLU D O 1 ATOM 10640 O O B GLU D 1 151 ? -13.362 -1.508 -5.998 0.50 17.77 ? 150 GLU D O 1 ATOM 10641 C CB A GLU D 1 151 ? -10.840 -2.668 -7.860 0.50 18.54 ? 150 GLU D CB 1 ATOM 10642 C CB B GLU D 1 151 ? -10.886 -2.604 -7.898 0.50 19.96 ? 150 GLU D CB 1 ATOM 10643 C CG A GLU D 1 151 ? -10.278 -2.497 -6.428 0.50 19.12 ? 150 GLU D CG 1 ATOM 10644 C CG B GLU D 1 151 ? -10.474 -3.855 -8.632 0.50 20.95 ? 150 GLU D CG 1 ATOM 10645 C CD A GLU D 1 151 ? -8.817 -2.966 -6.229 0.50 19.09 ? 150 GLU D CD 1 ATOM 10646 C CD B GLU D 1 151 ? -8.976 -4.085 -8.719 0.50 23.34 ? 150 GLU D CD 1 ATOM 10647 O OE1 A GLU D 1 151 ? -8.433 -3.976 -6.891 0.50 20.93 ? 150 GLU D OE1 1 ATOM 10648 O OE1 B GLU D 1 151 ? -8.173 -3.186 -8.373 0.50 24.21 ? 150 GLU D OE1 1 ATOM 10649 O OE2 A GLU D 1 151 ? -8.068 -2.372 -5.391 0.50 16.43 ? 150 GLU D OE2 1 ATOM 10650 O OE2 B GLU D 1 151 ? -8.600 -5.189 -9.174 0.50 27.06 ? 150 GLU D OE2 1 ATOM 10651 N N . MET D 1 152 ? -12.550 0.037 -7.410 1.00 16.96 ? 151 MET D N 1 ATOM 10652 C CA . MET D 1 152 ? -12.897 1.142 -6.541 1.00 16.72 ? 151 MET D CA 1 ATOM 10653 C C . MET D 1 152 ? -14.418 1.227 -6.375 1.00 17.38 ? 151 MET D C 1 ATOM 10654 O O . MET D 1 152 ? -14.921 1.512 -5.282 1.00 16.84 ? 151 MET D O 1 ATOM 10655 C CB . MET D 1 152 ? -12.331 2.446 -7.061 1.00 16.68 ? 151 MET D CB 1 ATOM 10656 C CG . MET D 1 152 ? -10.810 2.480 -6.977 1.00 16.47 ? 151 MET D CG 1 ATOM 10657 S SD . MET D 1 152 ? -10.100 3.928 -7.778 1.00 17.61 ? 151 MET D SD 1 ATOM 10658 C CE . MET D 1 152 ? -10.317 5.161 -6.494 1.00 17.66 ? 151 MET D CE 1 ATOM 10659 N N . TYR D 1 153 ? -15.141 0.997 -7.464 1.00 17.43 ? 152 TYR D N 1 ATOM 10660 C CA . TYR D 1 153 ? -16.615 1.017 -7.412 1.00 18.69 ? 152 TYR D CA 1 ATOM 10661 C C . TYR D 1 153 ? -17.117 -0.056 -6.433 1.00 19.74 ? 152 TYR D C 1 ATOM 10662 O O . TYR D 1 153 ? -18.016 0.193 -5.624 1.00 20.29 ? 152 TYR D O 1 ATOM 10663 C CB . TYR D 1 153 ? -17.164 0.797 -8.830 1.00 19.16 ? 152 TYR D CB 1 ATOM 10664 C CG . TYR D 1 153 ? -18.653 0.523 -8.904 1.00 20.47 ? 152 TYR D CG 1 ATOM 10665 C CD1 . TYR D 1 153 ? -19.152 -0.767 -8.741 1.00 21.70 ? 152 TYR D CD1 1 ATOM 10666 C CD2 . TYR D 1 153 ? -19.558 1.551 -9.138 1.00 22.09 ? 152 TYR D CD2 1 ATOM 10667 C CE1 . TYR D 1 153 ? -20.510 -1.018 -8.800 1.00 23.28 ? 152 TYR D CE1 1 ATOM 10668 C CE2 . TYR D 1 153 ? -20.928 1.306 -9.234 1.00 23.08 ? 152 TYR D CE2 1 ATOM 10669 C CZ . TYR D 1 153 ? -21.390 0.029 -9.052 1.00 24.19 ? 152 TYR D CZ 1 ATOM 10670 O OH . TYR D 1 153 ? -22.746 -0.192 -9.121 1.00 26.21 ? 152 TYR D OH 1 ATOM 10671 N N . GLN D 1 154 ? -16.540 -1.246 -6.512 1.00 21.01 ? 153 GLN D N 1 ATOM 10672 C CA . GLN D 1 154 ? -16.950 -2.364 -5.664 1.00 23.81 ? 153 GLN D CA 1 ATOM 10673 C C . GLN D 1 154 ? -16.561 -2.163 -4.201 1.00 21.92 ? 153 GLN D C 1 ATOM 10674 O O . GLN D 1 154 ? -17.364 -2.436 -3.304 1.00 20.83 ? 153 GLN D O 1 ATOM 10675 C CB . GLN D 1 154 ? -16.354 -3.682 -6.150 1.00 28.40 ? 153 GLN D CB 1 ATOM 10676 C CG . GLN D 1 154 ? -16.833 -4.135 -7.525 1.00 36.73 ? 153 GLN D CG 1 ATOM 10677 C CD . GLN D 1 154 ? -16.164 -5.421 -8.020 1.00 46.21 ? 153 GLN D CD 1 ATOM 10678 O OE1 . GLN D 1 154 ? -14.922 -5.526 -8.137 1.00 53.40 ? 153 GLN D OE1 1 ATOM 10679 N NE2 . GLN D 1 154 ? -16.991 -6.403 -8.352 1.00 51.00 ? 153 GLN D NE2 1 ATOM 10680 N N . LEU D 1 155 ? -15.341 -1.687 -3.961 1.00 18.95 ? 154 LEU D N 1 ATOM 10681 C CA . LEU D 1 155 ? -14.866 -1.470 -2.600 1.00 18.66 ? 154 LEU D CA 1 ATOM 10682 C C . LEU D 1 155 ? -15.619 -0.342 -1.912 1.00 18.56 ? 154 LEU D C 1 ATOM 10683 O O . LEU D 1 155 ? -16.045 -0.487 -0.768 1.00 19.04 ? 154 LEU D O 1 ATOM 10684 C CB . LEU D 1 155 ? -13.358 -1.142 -2.579 1.00 17.83 ? 154 LEU D CB 1 ATOM 10685 C CG . LEU D 1 155 ? -12.420 -2.327 -2.863 1.00 17.79 ? 154 LEU D CG 1 ATOM 10686 C CD1 . LEU D 1 155 ? -11.013 -1.809 -3.068 1.00 17.77 ? 154 LEU D CD1 1 ATOM 10687 C CD2 . LEU D 1 155 ? -12.463 -3.325 -1.717 1.00 18.61 ? 154 LEU D CD2 1 ATOM 10688 N N . TYR D 1 156 ? -15.760 0.782 -2.595 1.00 18.08 ? 155 TYR D N 1 ATOM 10689 C CA . TYR D 1 156 ? -16.225 2.014 -1.954 1.00 18.99 ? 155 TYR D CA 1 ATOM 10690 C C . TYR D 1 156 ? -17.693 2.314 -2.216 1.00 20.56 ? 155 TYR D C 1 ATOM 10691 O O . TYR D 1 156 ? -18.236 3.256 -1.648 1.00 22.21 ? 155 TYR D O 1 ATOM 10692 C CB . TYR D 1 156 ? -15.332 3.213 -2.310 1.00 18.02 ? 155 TYR D CB 1 ATOM 10693 C CG . TYR D 1 156 ? -13.861 2.854 -2.143 1.00 17.23 ? 155 TYR D CG 1 ATOM 10694 C CD1 . TYR D 1 156 ? -13.360 2.453 -0.908 1.00 17.59 ? 155 TYR D CD1 1 ATOM 10695 C CD2 . TYR D 1 156 ? -12.990 2.886 -3.223 1.00 16.58 ? 155 TYR D CD2 1 ATOM 10696 C CE1 . TYR D 1 156 ? -12.025 2.079 -0.756 1.00 17.11 ? 155 TYR D CE1 1 ATOM 10697 C CE2 . TYR D 1 156 ? -11.661 2.525 -3.077 1.00 16.18 ? 155 TYR D CE2 1 ATOM 10698 C CZ . TYR D 1 156 ? -11.190 2.104 -1.835 1.00 16.75 ? 155 TYR D CZ 1 ATOM 10699 O OH . TYR D 1 156 ? -9.875 1.732 -1.692 1.00 16.40 ? 155 TYR D OH 1 ATOM 10700 N N . GLY D 1 157 ? -18.353 1.494 -3.024 1.00 21.50 ? 156 GLY D N 1 ATOM 10701 C CA . GLY D 1 157 ? -19.821 1.521 -3.120 1.00 22.55 ? 156 GLY D CA 1 ATOM 10702 C C . GLY D 1 157 ? -20.433 2.571 -4.046 1.00 23.08 ? 156 GLY D C 1 ATOM 10703 O O . GLY D 1 157 ? -21.612 2.892 -3.911 1.00 24.00 ? 156 GLY D O 1 ATOM 10704 N N . GLY D 1 158 ? -19.674 3.094 -5.001 1.00 21.80 ? 157 GLY D N 1 ATOM 10705 C CA . GLY D 1 158 ? -20.252 4.004 -5.999 1.00 22.28 ? 157 GLY D CA 1 ATOM 10706 C C . GLY D 1 158 ? -19.306 4.387 -7.119 1.00 21.32 ? 157 GLY D C 1 ATOM 10707 O O . GLY D 1 158 ? -18.113 4.045 -7.059 1.00 21.58 ? 157 GLY D O 1 ATOM 10708 N N . PRO D 1 159 ? -19.827 5.095 -8.143 1.00 21.03 ? 158 PRO D N 1 ATOM 10709 C CA . PRO D 1 159 ? -19.028 5.464 -9.296 1.00 20.40 ? 158 PRO D CA 1 ATOM 10710 C C . PRO D 1 159 ? -17.956 6.515 -9.005 1.00 19.74 ? 158 PRO D C 1 ATOM 10711 O O . PRO D 1 159 ? -18.051 7.258 -8.040 1.00 18.81 ? 158 PRO D O 1 ATOM 10712 C CB . PRO D 1 159 ? -20.050 5.991 -10.309 1.00 21.10 ? 158 PRO D CB 1 ATOM 10713 C CG . PRO D 1 159 ? -21.249 6.362 -9.531 1.00 21.89 ? 158 PRO D CG 1 ATOM 10714 C CD . PRO D 1 159 ? -21.258 5.436 -8.332 1.00 22.68 ? 158 PRO D CD 1 ATOM 10715 N N . VAL D 1 160 ? -16.951 6.529 -9.864 1.00 19.92 ? 159 VAL D N 1 ATOM 10716 C CA . VAL D 1 160 ? -15.694 7.242 -9.647 1.00 20.44 ? 159 VAL D CA 1 ATOM 10717 C C . VAL D 1 160 ? -15.664 8.600 -10.376 1.00 19.31 ? 159 VAL D C 1 ATOM 10718 O O . VAL D 1 160 ? -16.281 8.775 -11.441 1.00 19.68 ? 159 VAL D O 1 ATOM 10719 C CB . VAL D 1 160 ? -14.548 6.348 -10.189 1.00 21.26 ? 159 VAL D CB 1 ATOM 10720 C CG1 . VAL D 1 160 ? -13.222 7.054 -10.170 1.00 24.11 ? 159 VAL D CG1 1 ATOM 10721 C CG2 . VAL D 1 160 ? -14.498 5.016 -9.452 1.00 22.63 ? 159 VAL D CG2 1 ATOM 10722 N N . VAL D 1 161 ? -14.974 9.576 -9.790 1.00 18.21 ? 160 VAL D N 1 ATOM 10723 C CA . VAL D 1 161 ? -14.744 10.877 -10.451 1.00 17.70 ? 160 VAL D CA 1 ATOM 10724 C C . VAL D 1 161 ? -13.320 10.855 -10.970 1.00 17.45 ? 160 VAL D C 1 ATOM 10725 O O . VAL D 1 161 ? -12.388 10.585 -10.191 1.00 16.69 ? 160 VAL D O 1 ATOM 10726 C CB . VAL D 1 161 ? -14.959 12.070 -9.494 1.00 17.59 ? 160 VAL D CB 1 ATOM 10727 C CG1 . VAL D 1 161 ? -14.542 13.383 -10.142 1.00 17.73 ? 160 VAL D CG1 1 ATOM 10728 C CG2 . VAL D 1 161 ? -16.417 12.143 -9.057 1.00 18.37 ? 160 VAL D CG2 1 ATOM 10729 N N . LEU D 1 162 ? -13.167 11.087 -12.273 1.00 16.75 ? 161 LEU D N 1 ATOM 10730 C CA . LEU D 1 162 ? -11.855 11.185 -12.911 1.00 17.27 ? 161 LEU D CA 1 ATOM 10731 C C . LEU D 1 162 ? -11.425 12.633 -12.918 1.00 16.78 ? 161 LEU D C 1 ATOM 10732 O O . LEU D 1 162 ? -12.210 13.496 -13.268 1.00 17.09 ? 161 LEU D O 1 ATOM 10733 C CB . LEU D 1 162 ? -11.945 10.693 -14.343 1.00 18.80 ? 161 LEU D CB 1 ATOM 10734 C CG . LEU D 1 162 ? -12.408 9.244 -14.531 1.00 20.95 ? 161 LEU D CG 1 ATOM 10735 C CD1 . LEU D 1 162 ? -12.684 8.878 -15.967 1.00 20.83 ? 161 LEU D CD1 1 ATOM 10736 C CD2 . LEU D 1 162 ? -11.373 8.315 -13.956 1.00 23.22 ? 161 LEU D CD2 1 ATOM 10737 N N . VAL D 1 163 ? -10.210 12.914 -12.452 1.00 16.34 ? 162 VAL D N 1 ATOM 10738 C CA . VAL D 1 163 ? -9.711 14.280 -12.417 1.00 16.06 ? 162 VAL D CA 1 ATOM 10739 C C . VAL D 1 163 ? -8.392 14.251 -13.196 1.00 15.95 ? 162 VAL D C 1 ATOM 10740 O O . VAL D 1 163 ? -7.464 13.545 -12.788 1.00 16.01 ? 162 VAL D O 1 ATOM 10741 C CB . VAL D 1 163 ? -9.442 14.784 -10.984 1.00 17.02 ? 162 VAL D CB 1 ATOM 10742 C CG1 . VAL D 1 163 ? -8.912 16.229 -11.014 1.00 17.02 ? 162 VAL D CG1 1 ATOM 10743 C CG2 . VAL D 1 163 ? -10.705 14.729 -10.130 1.00 17.78 ? 162 VAL D CG2 1 ATOM 10744 N N . ALA D 1 164 ? -8.326 14.958 -14.328 1.00 15.57 ? 163 ALA D N 1 ATOM 10745 C CA . ALA D 1 164 ? -7.175 14.879 -15.216 1.00 14.85 ? 163 ALA D CA 1 ATOM 10746 C C . ALA D 1 164 ? -6.618 16.255 -15.510 1.00 15.41 ? 163 ALA D C 1 ATOM 10747 O O . ALA D 1 164 ? -7.357 17.237 -15.565 1.00 14.70 ? 163 ALA D O 1 ATOM 10748 C CB . ALA D 1 164 ? -7.531 14.176 -16.529 1.00 15.21 ? 163 ALA D CB 1 ATOM 10749 N N . HIS D 1 165 ? -5.301 16.313 -15.665 1.00 15.13 ? 164 HIS D N 1 ATOM 10750 C CA . HIS D 1 165 ? -4.622 17.565 -15.969 1.00 15.58 ? 164 HIS D CA 1 ATOM 10751 C C . HIS D 1 165 ? -3.913 17.442 -17.293 1.00 15.39 ? 164 HIS D C 1 ATOM 10752 O O . HIS D 1 165 ? -3.257 16.424 -17.601 1.00 14.24 ? 164 HIS D O 1 ATOM 10753 C CB . HIS D 1 165 ? -3.611 17.902 -14.874 1.00 16.46 ? 164 HIS D CB 1 ATOM 10754 C CG . HIS D 1 165 ? -2.872 19.176 -15.116 1.00 16.54 ? 164 HIS D CG 1 ATOM 10755 N ND1 . HIS D 1 165 ? -1.503 19.216 -15.286 1.00 17.79 ? 164 HIS D ND1 1 ATOM 10756 C CD2 . HIS D 1 165 ? -3.307 20.445 -15.243 1.00 16.92 ? 164 HIS D CD2 1 ATOM 10757 C CE1 . HIS D 1 165 ? -1.127 20.462 -15.496 1.00 17.75 ? 164 HIS D CE1 1 ATOM 10758 N NE2 . HIS D 1 165 ? -2.203 21.227 -15.472 1.00 16.68 ? 164 HIS D NE2 1 ATOM 10759 N N . SER D 1 166 ? -4.038 18.492 -18.087 1.00 16.21 ? 165 SER D N 1 ATOM 10760 C CA . SER D 1 166 ? -3.269 18.652 -19.321 1.00 16.42 ? 165 SER D CA 1 ATOM 10761 C C . SER D 1 166 ? -3.447 17.453 -20.252 1.00 15.70 ? 165 SER D C 1 ATOM 10762 O O . SER D 1 166 ? -4.588 17.032 -20.486 1.00 15.50 ? 165 SER D O 1 ATOM 10763 C CB . SER D 1 166 ? -1.812 18.971 -18.950 1.00 17.53 ? 165 SER D CB 1 ATOM 10764 O OG . SER D 1 166 ? -1.150 19.554 -20.060 1.00 20.55 ? 165 SER D OG 1 ATOM 10765 N N . MET D 1 167 ? -2.362 16.871 -20.752 1.00 15.39 ? 166 MET D N 1 ATOM 10766 C CA . MET D 1 167 ? -2.460 15.718 -21.638 1.00 16.70 ? 166 MET D CA 1 ATOM 10767 C C . MET D 1 167 ? -3.221 14.540 -21.025 1.00 15.05 ? 166 MET D C 1 ATOM 10768 O O . MET D 1 167 ? -3.743 13.690 -21.764 1.00 14.43 ? 166 MET D O 1 ATOM 10769 C CB . MET D 1 167 ? -1.048 15.238 -22.030 1.00 18.15 ? 166 MET D CB 1 ATOM 10770 C CG . MET D 1 167 ? -1.040 14.099 -23.002 1.00 19.54 ? 166 MET D CG 1 ATOM 10771 S SD . MET D 1 167 ? 0.662 13.761 -23.550 1.00 19.77 ? 166 MET D SD 1 ATOM 10772 C CE . MET D 1 167 ? 1.259 12.675 -22.303 1.00 19.12 ? 166 MET D CE 1 ATOM 10773 N N . GLY D 1 168 ? -3.278 14.464 -19.698 1.00 14.02 ? 167 GLY D N 1 ATOM 10774 C CA . GLY D 1 168 ? -4.064 13.404 -19.050 1.00 13.94 ? 167 GLY D CA 1 ATOM 10775 C C . GLY D 1 168 ? -5.502 13.417 -19.520 1.00 13.71 ? 167 GLY D C 1 ATOM 10776 O O . GLY D 1 168 ? -6.199 12.409 -19.490 1.00 13.21 ? 167 GLY D O 1 ATOM 10777 N N . ASN D 1 169 ? -5.987 14.577 -19.922 1.00 14.53 ? 168 ASN D N 1 ATOM 10778 C CA . ASN D 1 169 ? -7.358 14.672 -20.426 1.00 14.92 ? 168 ASN D CA 1 ATOM 10779 C C . ASN D 1 169 ? -7.562 13.937 -21.744 1.00 15.35 ? 168 ASN D C 1 ATOM 10780 O O . ASN D 1 169 ? -8.620 13.367 -21.986 1.00 14.88 ? 168 ASN D O 1 ATOM 10781 C CB . ASN D 1 169 ? -7.755 16.140 -20.596 1.00 16.11 ? 168 ASN D CB 1 ATOM 10782 C CG . ASN D 1 169 ? -7.945 16.834 -19.264 1.00 16.53 ? 168 ASN D CG 1 ATOM 10783 O OD1 . ASN D 1 169 ? -8.932 16.598 -18.598 1.00 17.32 ? 168 ASN D OD1 1 ATOM 10784 N ND2 . ASN D 1 169 ? -6.988 17.663 -18.861 1.00 16.44 ? 168 ASN D ND2 1 ATOM 10785 N N . MET D 1 170 ? -6.552 13.966 -22.602 1.00 15.14 ? 169 MET D N 1 ATOM 10786 C CA . MET D 1 170 ? -6.619 13.297 -23.881 1.00 16.08 ? 169 MET D CA 1 ATOM 10787 C C . MET D 1 170 ? -6.483 11.775 -23.690 1.00 15.26 ? 169 MET D C 1 ATOM 10788 O O . MET D 1 170 ? -7.168 11.003 -24.360 1.00 14.96 ? 169 MET D O 1 ATOM 10789 C CB . MET D 1 170 ? -5.555 13.883 -24.825 1.00 17.83 ? 169 MET D CB 1 ATOM 10790 C CG . MET D 1 170 ? -5.912 15.294 -25.305 1.00 20.32 ? 169 MET D CG 1 ATOM 10791 S SD . MET D 1 170 ? -7.169 15.162 -26.613 1.00 25.29 ? 169 MET D SD 1 ATOM 10792 C CE . MET D 1 170 ? -6.160 14.725 -28.024 1.00 27.64 ? 169 MET D CE 1 ATOM 10793 N N . TYR D 1 171 ? -5.628 11.349 -22.753 1.00 14.56 ? 170 TYR D N 1 ATOM 10794 C CA . TYR D 1 171 ? -5.599 9.937 -22.315 1.00 14.39 ? 170 TYR D CA 1 ATOM 10795 C C . TYR D 1 171 ? -6.980 9.485 -21.802 1.00 15.18 ? 170 TYR D C 1 ATOM 10796 O O . TYR D 1 171 ? -7.467 8.414 -22.175 1.00 15.12 ? 170 TYR D O 1 ATOM 10797 C CB . TYR D 1 171 ? -4.540 9.713 -21.236 1.00 14.47 ? 170 TYR D CB 1 ATOM 10798 C CG . TYR D 1 171 ? -3.255 9.170 -21.803 1.00 14.47 ? 170 TYR D CG 1 ATOM 10799 C CD1 . TYR D 1 171 ? -2.439 9.940 -22.610 1.00 14.67 ? 170 TYR D CD1 1 ATOM 10800 C CD2 . TYR D 1 171 ? -2.900 7.849 -21.584 1.00 15.62 ? 170 TYR D CD2 1 ATOM 10801 C CE1 . TYR D 1 171 ? -1.263 9.411 -23.157 1.00 14.80 ? 170 TYR D CE1 1 ATOM 10802 C CE2 . TYR D 1 171 ? -1.761 7.310 -22.142 1.00 16.09 ? 170 TYR D CE2 1 ATOM 10803 C CZ . TYR D 1 171 ? -0.967 8.081 -22.941 1.00 15.26 ? 170 TYR D CZ 1 ATOM 10804 O OH . TYR D 1 171 ? 0.179 7.503 -23.475 1.00 15.85 ? 170 TYR D OH 1 ATOM 10805 N N . THR D 1 172 ? -7.595 10.305 -20.957 1.00 15.22 ? 171 THR D N 1 ATOM 10806 C CA . THR D 1 172 ? -8.903 9.983 -20.373 1.00 15.95 ? 171 THR D CA 1 ATOM 10807 C C . THR D 1 172 ? -10.016 9.940 -21.454 1.00 16.59 ? 171 THR D C 1 ATOM 10808 O O . THR D 1 172 ? -10.857 9.015 -21.455 1.00 16.55 ? 171 THR D O 1 ATOM 10809 C CB . THR D 1 172 ? -9.253 10.958 -19.244 1.00 16.60 ? 171 THR D CB 1 ATOM 10810 O OG1 . THR D 1 172 ? -8.232 10.907 -18.250 1.00 16.13 ? 171 THR D OG1 1 ATOM 10811 C CG2 . THR D 1 172 ? -10.608 10.589 -18.610 1.00 16.76 ? 171 THR D CG2 1 ATOM 10812 N N . LEU D 1 173 ? -10.000 10.900 -22.388 1.00 16.09 ? 172 LEU D N 1 ATOM 10813 C CA . LEU D 1 173 ? -10.968 10.895 -23.487 1.00 17.11 ? 172 LEU D CA 1 ATOM 10814 C C . LEU D 1 173 ? -10.818 9.650 -24.363 1.00 16.81 ? 172 LEU D C 1 ATOM 10815 O O . LEU D 1 173 ? -11.817 8.998 -24.722 1.00 16.47 ? 172 LEU D O 1 ATOM 10816 C CB . LEU D 1 173 ? -10.842 12.172 -24.323 1.00 18.11 ? 172 LEU D CB 1 ATOM 10817 C CG . LEU D 1 173 ? -11.795 12.275 -25.524 1.00 19.32 ? 172 LEU D CG 1 ATOM 10818 C CD1 . LEU D 1 173 ? -13.252 12.251 -25.082 1.00 19.42 ? 172 LEU D CD1 1 ATOM 10819 C CD2 . LEU D 1 173 ? -11.466 13.540 -26.318 1.00 19.79 ? 172 LEU D CD2 1 ATOM 10820 N N . TYR D 1 174 ? -9.571 9.287 -24.687 1.00 15.69 ? 173 TYR D N 1 ATOM 10821 C CA . TYR D 1 174 ? -9.327 8.062 -25.441 1.00 16.56 ? 173 TYR D CA 1 ATOM 10822 C C . TYR D 1 174 ? -9.950 6.874 -24.730 1.00 16.50 ? 173 TYR D C 1 ATOM 10823 O O . TYR D 1 174 ? -10.682 6.080 -25.338 1.00 18.35 ? 173 TYR D O 1 ATOM 10824 C CB . TYR D 1 174 ? -7.820 7.854 -25.621 1.00 16.49 ? 173 TYR D CB 1 ATOM 10825 C CG . TYR D 1 174 ? -7.424 6.543 -26.263 1.00 17.53 ? 173 TYR D CG 1 ATOM 10826 C CD1 . TYR D 1 174 ? -7.321 6.424 -27.647 1.00 18.76 ? 173 TYR D CD1 1 ATOM 10827 C CD2 . TYR D 1 174 ? -7.152 5.427 -25.493 1.00 18.12 ? 173 TYR D CD2 1 ATOM 10828 C CE1 . TYR D 1 174 ? -6.922 5.227 -28.229 1.00 20.35 ? 173 TYR D CE1 1 ATOM 10829 C CE2 . TYR D 1 174 ? -6.789 4.225 -26.065 1.00 18.69 ? 173 TYR D CE2 1 ATOM 10830 C CZ . TYR D 1 174 ? -6.669 4.134 -27.432 1.00 20.74 ? 173 TYR D CZ 1 ATOM 10831 O OH . TYR D 1 174 ? -6.285 2.936 -28.001 1.00 23.65 ? 173 TYR D OH 1 ATOM 10832 N N . PHE D 1 175 ? -9.685 6.772 -23.430 1.00 16.09 ? 174 PHE D N 1 ATOM 10833 C CA . PHE D 1 175 ? -10.217 5.676 -22.637 1.00 16.69 ? 174 PHE D CA 1 ATOM 10834 C C . PHE D 1 175 ? -11.760 5.642 -22.680 1.00 17.30 ? 174 PHE D C 1 ATOM 10835 O O . PHE D 1 175 ? -12.361 4.596 -22.966 1.00 17.78 ? 174 PHE D O 1 ATOM 10836 C CB . PHE D 1 175 ? -9.731 5.796 -21.206 1.00 17.29 ? 174 PHE D CB 1 ATOM 10837 C CG . PHE D 1 175 ? -10.346 4.801 -20.257 1.00 17.19 ? 174 PHE D CG 1 ATOM 10838 C CD1 . PHE D 1 175 ? -9.990 3.461 -20.312 1.00 18.05 ? 174 PHE D CD1 1 ATOM 10839 C CD2 . PHE D 1 175 ? -11.262 5.216 -19.302 1.00 17.76 ? 174 PHE D CD2 1 ATOM 10840 C CE1 . PHE D 1 175 ? -10.516 2.549 -19.409 1.00 18.64 ? 174 PHE D CE1 1 ATOM 10841 C CE2 . PHE D 1 175 ? -11.800 4.317 -18.405 1.00 18.36 ? 174 PHE D CE2 1 ATOM 10842 C CZ . PHE D 1 175 ? -11.451 2.975 -18.472 1.00 18.90 ? 174 PHE D CZ 1 ATOM 10843 N N . LEU D 1 176 ? -12.383 6.786 -22.398 1.00 16.95 ? 175 LEU D N 1 ATOM 10844 C CA . LEU D 1 176 ? -13.853 6.857 -22.328 1.00 18.14 ? 175 LEU D CA 1 ATOM 10845 C C . LEU D 1 176 ? -14.520 6.619 -23.665 1.00 18.55 ? 175 LEU D C 1 ATOM 10846 O O . LEU D 1 176 ? -15.590 5.976 -23.735 1.00 19.68 ? 175 LEU D O 1 ATOM 10847 C CB . LEU D 1 176 ? -14.315 8.198 -21.734 1.00 17.73 ? 175 LEU D CB 1 ATOM 10848 C CG . LEU D 1 176 ? -13.941 8.377 -20.259 1.00 17.81 ? 175 LEU D CG 1 ATOM 10849 C CD1 . LEU D 1 176 ? -14.274 9.788 -19.860 1.00 18.50 ? 175 LEU D CD1 1 ATOM 10850 C CD2 . LEU D 1 176 ? -14.646 7.374 -19.341 1.00 18.29 ? 175 LEU D CD2 1 ATOM 10851 N N . GLN D 1 177 ? -13.910 7.112 -24.739 1.00 19.22 ? 176 GLN D N 1 ATOM 10852 C CA . GLN D 1 177 ? -14.450 6.861 -26.092 1.00 21.10 ? 176 GLN D CA 1 ATOM 10853 C C . GLN D 1 177 ? -14.517 5.368 -26.413 1.00 21.95 ? 176 GLN D C 1 ATOM 10854 O O . GLN D 1 177 ? -15.379 4.924 -27.186 1.00 23.51 ? 176 GLN D O 1 ATOM 10855 C CB . GLN D 1 177 ? -13.629 7.587 -27.165 1.00 20.53 ? 176 GLN D CB 1 ATOM 10856 C CG . GLN D 1 177 ? -13.884 9.080 -27.200 1.00 21.13 ? 176 GLN D CG 1 ATOM 10857 C CD . GLN D 1 177 ? -13.087 9.771 -28.291 1.00 22.08 ? 176 GLN D CD 1 ATOM 10858 O OE1 . GLN D 1 177 ? -12.146 9.196 -28.843 1.00 23.08 ? 176 GLN D OE1 1 ATOM 10859 N NE2 . GLN D 1 177 ? -13.472 10.990 -28.622 1.00 22.54 ? 176 GLN D NE2 1 ATOM 10860 N N . ARG D 1 178 ? -13.629 4.598 -25.820 1.00 22.89 ? 177 ARG D N 1 ATOM 10861 C CA . ARG D 1 178 ? -13.575 3.172 -26.076 1.00 24.82 ? 177 ARG D CA 1 ATOM 10862 C C . ARG D 1 178 ? -14.301 2.288 -25.076 1.00 24.63 ? 177 ARG D C 1 ATOM 10863 O O . ARG D 1 178 ? -14.268 1.075 -25.220 1.00 25.62 ? 177 ARG D O 1 ATOM 10864 C CB . ARG D 1 178 ? -12.130 2.747 -26.223 1.00 26.17 ? 177 ARG D CB 1 ATOM 10865 C CG . ARG D 1 178 ? -11.615 3.291 -27.551 1.00 29.38 ? 177 ARG D CG 1 ATOM 10866 C CD . ARG D 1 178 ? -10.129 3.281 -27.696 1.00 30.67 ? 177 ARG D CD 1 ATOM 10867 N NE . ARG D 1 178 ? -9.808 4.184 -28.814 1.00 36.04 ? 177 ARG D NE 1 ATOM 10868 C CZ . ARG D 1 178 ? -9.413 3.821 -30.032 1.00 40.14 ? 177 ARG D CZ 1 ATOM 10869 N NH1 . ARG D 1 178 ? -9.238 2.533 -30.350 1.00 43.71 ? 177 ARG D NH1 1 ATOM 10870 N NH2 . ARG D 1 178 ? -9.142 4.771 -30.935 1.00 39.35 ? 177 ARG D NH2 1 ATOM 10871 N N . GLN D 1 179 ? -14.990 2.859 -24.089 1.00 22.87 ? 178 GLN D N 1 ATOM 10872 C CA . GLN D 1 179 ? -15.783 2.024 -23.184 1.00 22.46 ? 178 GLN D CA 1 ATOM 10873 C C . GLN D 1 179 ? -17.239 2.126 -23.611 1.00 22.36 ? 178 GLN D C 1 ATOM 10874 O O . GLN D 1 179 ? -17.690 3.203 -23.961 1.00 21.92 ? 178 GLN D O 1 ATOM 10875 C CB . GLN D 1 179 ? -15.650 2.472 -21.723 1.00 21.82 ? 178 GLN D CB 1 ATOM 10876 C CG . GLN D 1 179 ? -14.225 2.551 -21.180 1.00 22.18 ? 178 GLN D CG 1 ATOM 10877 C CD . GLN D 1 179 ? -13.358 1.385 -21.627 1.00 22.81 ? 178 GLN D CD 1 ATOM 10878 O OE1 . GLN D 1 179 ? -13.669 0.241 -21.356 1.00 23.73 ? 178 GLN D OE1 1 ATOM 10879 N NE2 . GLN D 1 179 ? -12.282 1.680 -22.335 1.00 25.03 ? 178 GLN D NE2 1 ATOM 10880 N N . PRO D 1 180 ? -17.976 1.018 -23.550 1.00 22.79 ? 179 PRO D N 1 ATOM 10881 C CA . PRO D 1 180 ? -19.423 1.079 -23.826 1.00 23.49 ? 179 PRO D CA 1 ATOM 10882 C C . PRO D 1 180 ? -20.149 2.092 -22.938 1.00 24.07 ? 179 PRO D C 1 ATOM 10883 O O . PRO D 1 180 ? -19.788 2.297 -21.764 1.00 22.72 ? 179 PRO D O 1 ATOM 10884 C CB . PRO D 1 180 ? -19.908 -0.334 -23.497 1.00 24.40 ? 179 PRO D CB 1 ATOM 10885 C CG . PRO D 1 180 ? -18.703 -1.189 -23.635 1.00 24.28 ? 179 PRO D CG 1 ATOM 10886 C CD . PRO D 1 180 ? -17.549 -0.337 -23.189 1.00 22.73 ? 179 PRO D CD 1 ATOM 10887 N N . GLN D 1 181 ? -21.192 2.706 -23.483 1.00 24.39 ? 180 GLN D N 1 ATOM 10888 C CA . GLN D 1 181 ? -21.961 3.679 -22.726 1.00 25.51 ? 180 GLN D CA 1 ATOM 10889 C C . GLN D 1 181 ? -22.501 3.094 -21.413 1.00 25.21 ? 180 GLN D C 1 ATOM 10890 O O . GLN D 1 181 ? -22.530 3.783 -20.398 1.00 24.17 ? 180 GLN D O 1 ATOM 10891 C CB . GLN D 1 181 ? -23.117 4.251 -23.584 1.00 27.32 ? 180 GLN D CB 1 ATOM 10892 C CG . GLN D 1 181 ? -23.860 5.411 -22.943 1.00 28.13 ? 180 GLN D CG 1 ATOM 10893 C CD . GLN D 1 181 ? -22.954 6.627 -22.762 1.00 28.40 ? 180 GLN D CD 1 ATOM 10894 O OE1 . GLN D 1 181 ? -22.313 7.071 -23.701 1.00 29.94 ? 180 GLN D OE1 1 ATOM 10895 N NE2 . GLN D 1 181 ? -22.917 7.174 -21.562 1.00 28.26 ? 180 GLN D NE2 1 ATOM 10896 N N . ALA D 1 182 ? -22.967 1.847 -21.431 1.00 25.42 ? 181 ALA D N 1 ATOM 10897 C CA . ALA D 1 182 ? -23.513 1.227 -20.219 1.00 25.73 ? 181 ALA D CA 1 ATOM 10898 C C . ALA D 1 182 ? -22.453 1.107 -19.124 1.00 24.67 ? 181 ALA D C 1 ATOM 10899 O O . ALA D 1 182 ? -22.765 1.217 -17.930 1.00 23.91 ? 181 ALA D O 1 ATOM 10900 C CB . ALA D 1 182 ? -24.110 -0.153 -20.528 1.00 26.79 ? 181 ALA D CB 1 ATOM 10901 N N . TRP D 1 183 ? -21.204 0.868 -19.524 1.00 22.26 ? 182 TRP D N 1 ATOM 10902 C CA . TRP D 1 183 ? -20.113 0.769 -18.567 1.00 21.64 ? 182 TRP D CA 1 ATOM 10903 C C . TRP D 1 183 ? -19.904 2.145 -17.923 1.00 21.06 ? 182 TRP D C 1 ATOM 10904 O O . TRP D 1 183 ? -19.758 2.249 -16.703 1.00 21.44 ? 182 TRP D O 1 ATOM 10905 C CB . TRP D 1 183 ? -18.819 0.306 -19.261 1.00 21.17 ? 182 TRP D CB 1 ATOM 10906 C CG . TRP D 1 183 ? -17.679 0.061 -18.316 1.00 20.62 ? 182 TRP D CG 1 ATOM 10907 C CD1 . TRP D 1 183 ? -17.341 -1.131 -17.704 1.00 20.48 ? 182 TRP D CD1 1 ATOM 10908 C CD2 . TRP D 1 183 ? -16.739 1.030 -17.844 1.00 19.90 ? 182 TRP D CD2 1 ATOM 10909 N NE1 . TRP D 1 183 ? -16.257 -0.941 -16.902 1.00 20.02 ? 182 TRP D NE1 1 ATOM 10910 C CE2 . TRP D 1 183 ? -15.855 0.365 -16.977 1.00 19.49 ? 182 TRP D CE2 1 ATOM 10911 C CE3 . TRP D 1 183 ? -16.562 2.399 -18.071 1.00 19.52 ? 182 TRP D CE3 1 ATOM 10912 C CZ2 . TRP D 1 183 ? -14.813 1.025 -16.321 1.00 19.25 ? 182 TRP D CZ2 1 ATOM 10913 C CZ3 . TRP D 1 183 ? -15.508 3.047 -17.452 1.00 19.07 ? 182 TRP D CZ3 1 ATOM 10914 C CH2 . TRP D 1 183 ? -14.646 2.357 -16.581 1.00 18.88 ? 182 TRP D CH2 1 ATOM 10915 N N . LYS D 1 184 ? -19.868 3.190 -18.737 1.00 20.41 ? 183 LYS D N 1 ATOM 10916 C CA . LYS D 1 184 ? -19.623 4.531 -18.237 1.00 20.24 ? 183 LYS D CA 1 ATOM 10917 C C . LYS D 1 184 ? -20.744 4.964 -17.308 1.00 21.15 ? 183 LYS D C 1 ATOM 10918 O O . LYS D 1 184 ? -20.496 5.621 -16.297 1.00 20.32 ? 183 LYS D O 1 ATOM 10919 C CB . LYS D 1 184 ? -19.428 5.512 -19.392 1.00 19.98 ? 183 LYS D CB 1 ATOM 10920 C CG . LYS D 1 184 ? -18.130 5.241 -20.147 1.00 19.41 ? 183 LYS D CG 1 ATOM 10921 C CD . LYS D 1 184 ? -17.864 6.227 -21.272 1.00 19.16 ? 183 LYS D CD 1 ATOM 10922 C CE . LYS D 1 184 ? -18.819 6.068 -22.421 1.00 19.42 ? 183 LYS D CE 1 ATOM 10923 N NZ . LYS D 1 184 ? -18.322 6.753 -23.630 1.00 19.18 ? 183 LYS D NZ 1 ATOM 10924 N N . ASP D 1 185 ? -21.982 4.615 -17.672 1.00 22.11 ? 184 ASP D N 1 ATOM 10925 C CA . ASP D 1 185 ? -23.151 4.993 -16.871 1.00 24.05 ? 184 ASP D CA 1 ATOM 10926 C C . ASP D 1 185 ? -23.086 4.349 -15.485 1.00 24.14 ? 184 ASP D C 1 ATOM 10927 O O . ASP D 1 185 ? -23.528 4.939 -14.509 1.00 25.20 ? 184 ASP D O 1 ATOM 10928 C CB . ASP D 1 185 ? -24.463 4.593 -17.567 1.00 26.06 ? 184 ASP D CB 1 ATOM 10929 C CG . ASP D 1 185 ? -24.766 5.425 -18.825 1.00 28.16 ? 184 ASP D CG 1 ATOM 10930 O OD1 . ASP D 1 185 ? -24.140 6.488 -19.061 1.00 27.74 ? 184 ASP D OD1 1 ATOM 10931 O OD2 . ASP D 1 185 ? -25.663 5.018 -19.586 1.00 30.24 ? 184 ASP D OD2 1 ATOM 10932 N N . LYS D 1 186 ? -22.547 3.135 -15.395 1.00 22.75 ? 185 LYS D N 1 ATOM 10933 C CA . LYS D 1 186 ? -22.406 2.461 -14.111 1.00 22.94 ? 185 LYS D CA 1 ATOM 10934 C C . LYS D 1 186 ? -21.212 2.968 -13.282 1.00 21.16 ? 185 LYS D C 1 ATOM 10935 O O . LYS D 1 186 ? -21.350 3.215 -12.094 1.00 20.53 ? 185 LYS D O 1 ATOM 10936 C CB . LYS D 1 186 ? -22.253 0.954 -14.324 1.00 24.12 ? 185 LYS D CB 1 ATOM 10937 C CG . LYS D 1 186 ? -22.020 0.160 -13.059 1.00 25.56 ? 185 LYS D CG 1 ATOM 10938 C CD . LYS D 1 186 ? -22.165 -1.335 -13.320 1.00 27.92 ? 185 LYS D CD 1 ATOM 10939 C CE . LYS D 1 186 ? -21.964 -2.141 -12.054 1.00 29.64 ? 185 LYS D CE 1 ATOM 10940 N NZ . LYS D 1 186 ? -21.945 -3.591 -12.383 1.00 32.59 ? 185 LYS D NZ 1 ATOM 10941 N N . TYR D 1 187 ? -20.054 3.110 -13.922 1.00 19.86 ? 186 TYR D N 1 ATOM 10942 C CA . TYR D 1 187 ? -18.788 3.246 -13.194 1.00 19.70 ? 186 TYR D CA 1 ATOM 10943 C C . TYR D 1 187 ? -18.235 4.660 -13.063 1.00 19.28 ? 186 TYR D C 1 ATOM 10944 O O . TYR D 1 187 ? -17.367 4.880 -12.216 1.00 18.80 ? 186 TYR D O 1 ATOM 10945 C CB . TYR D 1 187 ? -17.722 2.346 -13.811 1.00 19.39 ? 186 TYR D CB 1 ATOM 10946 C CG . TYR D 1 187 ? -17.987 0.868 -13.592 1.00 20.49 ? 186 TYR D CG 1 ATOM 10947 C CD1 . TYR D 1 187 ? -17.791 0.271 -12.343 1.00 21.65 ? 186 TYR D CD1 1 ATOM 10948 C CD2 . TYR D 1 187 ? -18.401 0.056 -14.639 1.00 21.67 ? 186 TYR D CD2 1 ATOM 10949 C CE1 . TYR D 1 187 ? -18.019 -1.086 -12.139 1.00 22.32 ? 186 TYR D CE1 1 ATOM 10950 C CE2 . TYR D 1 187 ? -18.641 -1.298 -14.449 1.00 22.21 ? 186 TYR D CE2 1 ATOM 10951 C CZ . TYR D 1 187 ? -18.441 -1.858 -13.197 1.00 23.49 ? 186 TYR D CZ 1 ATOM 10952 O OH . TYR D 1 187 ? -18.686 -3.188 -12.998 1.00 25.63 ? 186 TYR D OH 1 ATOM 10953 N N . ILE D 1 188 ? -18.695 5.600 -13.892 1.00 19.16 ? 187 ILE D N 1 ATOM 10954 C CA . ILE D 1 188 ? -18.132 6.950 -13.903 1.00 19.64 ? 187 ILE D CA 1 ATOM 10955 C C . ILE D 1 188 ? -19.174 7.921 -13.388 1.00 21.06 ? 187 ILE D C 1 ATOM 10956 O O . ILE D 1 188 ? -20.275 8.003 -13.942 1.00 21.69 ? 187 ILE D O 1 ATOM 10957 C CB . ILE D 1 188 ? -17.655 7.386 -15.306 1.00 20.18 ? 187 ILE D CB 1 ATOM 10958 C CG1 . ILE D 1 188 ? -16.663 6.372 -15.899 1.00 20.01 ? 187 ILE D CG1 1 ATOM 10959 C CG2 . ILE D 1 188 ? -17.036 8.796 -15.275 1.00 19.65 ? 187 ILE D CG2 1 ATOM 10960 C CD1 . ILE D 1 188 ? -15.398 6.157 -15.092 1.00 19.60 ? 187 ILE D CD1 1 ATOM 10961 N N . ARG D 1 189 ? -18.828 8.661 -12.339 1.00 20.60 ? 188 ARG D N 1 ATOM 10962 C CA . ARG D 1 189 ? -19.705 9.699 -11.819 1.00 22.07 ? 188 ARG D CA 1 ATOM 10963 C C . ARG D 1 189 ? -19.539 11.005 -12.612 1.00 20.88 ? 188 ARG D C 1 ATOM 10964 O O . ARG D 1 189 ? -20.507 11.641 -12.994 1.00 21.77 ? 188 ARG D O 1 ATOM 10965 C CB . ARG D 1 189 ? -19.423 9.940 -10.352 1.00 24.77 ? 188 ARG D CB 1 ATOM 10966 C CG . ARG D 1 189 ? -20.363 10.949 -9.739 1.00 29.56 ? 188 ARG D CG 1 ATOM 10967 C CD . ARG D 1 189 ? -20.133 11.055 -8.250 1.00 34.25 ? 188 ARG D CD 1 ATOM 10968 N NE . ARG D 1 189 ? -21.301 11.695 -7.662 1.00 43.35 ? 188 ARG D NE 1 ATOM 10969 C CZ . ARG D 1 189 ? -22.401 11.061 -7.243 1.00 47.77 ? 188 ARG D CZ 1 ATOM 10970 N NH1 . ARG D 1 189 ? -22.486 9.727 -7.257 1.00 50.47 ? 188 ARG D NH1 1 ATOM 10971 N NH2 . ARG D 1 189 ? -23.408 11.776 -6.774 1.00 52.25 ? 188 ARG D NH2 1 ATOM 10972 N N . ALA D 1 190 ? -18.299 11.414 -12.830 1.00 19.24 ? 189 ALA D N 1 ATOM 10973 C CA . ALA D 1 190 ? -18.004 12.671 -13.527 1.00 18.58 ? 189 ALA D CA 1 ATOM 10974 C C . ALA D 1 190 ? -16.550 12.669 -13.950 1.00 17.63 ? 189 ALA D C 1 ATOM 10975 O O . ALA D 1 190 ? -15.757 11.870 -13.458 1.00 16.86 ? 189 ALA D O 1 ATOM 10976 C CB . ALA D 1 190 ? -18.285 13.869 -12.629 1.00 19.61 ? 189 ALA D CB 1 ATOM 10977 N N . PHE D 1 191 ? -16.231 13.570 -14.878 1.00 17.92 ? 190 PHE D N 1 ATOM 10978 C CA . PHE D 1 191 ? -14.885 13.786 -15.392 1.00 16.95 ? 190 PHE D CA 1 ATOM 10979 C C . PHE D 1 191 ? -14.633 15.282 -15.207 1.00 17.30 ? 190 PHE D C 1 ATOM 10980 O O . PHE D 1 191 ? -15.329 16.122 -15.791 1.00 17.70 ? 190 PHE D O 1 ATOM 10981 C CB . PHE D 1 191 ? -14.872 13.318 -16.856 1.00 17.15 ? 190 PHE D CB 1 ATOM 10982 C CG . PHE D 1 191 ? -13.600 13.596 -17.638 1.00 17.17 ? 190 PHE D CG 1 ATOM 10983 C CD1 . PHE D 1 191 ? -12.419 13.998 -17.050 1.00 17.46 ? 190 PHE D CD1 1 ATOM 10984 C CD2 . PHE D 1 191 ? -13.629 13.457 -19.014 1.00 18.20 ? 190 PHE D CD2 1 ATOM 10985 C CE1 . PHE D 1 191 ? -11.286 14.256 -17.822 1.00 17.40 ? 190 PHE D CE1 1 ATOM 10986 C CE2 . PHE D 1 191 ? -12.512 13.709 -19.796 1.00 18.25 ? 190 PHE D CE2 1 ATOM 10987 C CZ . PHE D 1 191 ? -11.325 14.089 -19.185 1.00 18.10 ? 190 PHE D CZ 1 ATOM 10988 N N . VAL D 1 192 ? -13.677 15.602 -14.339 1.00 16.62 ? 191 VAL D N 1 ATOM 10989 C CA . VAL D 1 192 ? -13.230 16.974 -14.119 1.00 17.35 ? 191 VAL D CA 1 ATOM 10990 C C . VAL D 1 192 ? -11.946 17.149 -14.938 1.00 16.94 ? 191 VAL D C 1 ATOM 10991 O O . VAL D 1 192 ? -10.926 16.503 -14.676 1.00 15.64 ? 191 VAL D O 1 ATOM 10992 C CB . VAL D 1 192 ? -12.972 17.259 -12.634 1.00 17.59 ? 191 VAL D CB 1 ATOM 10993 C CG1 . VAL D 1 192 ? -12.445 18.685 -12.428 1.00 18.77 ? 191 VAL D CG1 1 ATOM 10994 C CG2 . VAL D 1 192 ? -14.232 17.070 -11.825 1.00 18.93 ? 191 VAL D CG2 1 ATOM 10995 N N . SER D 1 193 ? -12.024 18.039 -15.924 1.00 17.50 ? 192 SER D N 1 ATOM 10996 C CA . SER D 1 193 ? -11.003 18.221 -16.936 1.00 18.49 ? 192 SER D CA 1 ATOM 10997 C C . SER D 1 193 ? -10.276 19.539 -16.700 1.00 17.61 ? 192 SER D C 1 ATOM 10998 O O . SER D 1 193 ? -10.884 20.599 -16.771 1.00 18.57 ? 192 SER D O 1 ATOM 10999 C CB . SER D 1 193 ? -11.721 18.233 -18.284 1.00 19.82 ? 192 SER D CB 1 ATOM 11000 O OG . SER D 1 193 ? -10.825 18.353 -19.330 1.00 21.49 ? 192 SER D OG 1 ATOM 11001 N N . LEU D 1 194 ? -9.001 19.475 -16.335 1.00 17.55 ? 193 LEU D N 1 ATOM 11002 C CA . LEU D 1 194 ? -8.234 20.676 -15.985 1.00 17.73 ? 193 LEU D CA 1 ATOM 11003 C C . LEU D 1 194 ? -7.177 20.982 -17.046 1.00 17.46 ? 193 LEU D C 1 ATOM 11004 O O . LEU D 1 194 ? -6.197 20.229 -17.212 1.00 15.36 ? 193 LEU D O 1 ATOM 11005 C CB . LEU D 1 194 ? -7.566 20.488 -14.625 1.00 18.59 ? 193 LEU D CB 1 ATOM 11006 C CG . LEU D 1 194 ? -8.428 20.047 -13.445 1.00 20.52 ? 193 LEU D CG 1 ATOM 11007 C CD1 . LEU D 1 194 ? -7.569 19.769 -12.215 1.00 22.05 ? 193 LEU D CD1 1 ATOM 11008 C CD2 . LEU D 1 194 ? -9.464 21.075 -13.097 1.00 21.37 ? 193 LEU D CD2 1 ATOM 11009 N N . GLY D 1 195 ? -7.360 22.081 -17.790 1.00 17.39 ? 194 GLY D N 1 ATOM 11010 C CA . GLY D 1 195 ? -6.347 22.500 -18.760 1.00 16.73 ? 194 GLY D CA 1 ATOM 11011 C C . GLY D 1 195 ? -6.157 21.537 -19.926 1.00 15.90 ? 194 GLY D C 1 ATOM 11012 O O . GLY D 1 195 ? -5.031 21.257 -20.322 1.00 15.12 ? 194 GLY D O 1 ATOM 11013 N N . ALA D 1 196 ? -7.260 21.045 -20.484 1.00 15.86 ? 195 ALA D N 1 ATOM 11014 C CA . ALA D 1 196 ? -7.203 20.048 -21.542 1.00 15.89 ? 195 ALA D CA 1 ATOM 11015 C C . ALA D 1 196 ? -6.801 20.643 -22.899 1.00 16.83 ? 195 ALA D C 1 ATOM 11016 O O . ALA D 1 196 ? -7.446 21.595 -23.364 1.00 16.68 ? 195 ALA D O 1 ATOM 11017 C CB . ALA D 1 196 ? -8.568 19.364 -21.684 1.00 16.23 ? 195 ALA D CB 1 ATOM 11018 N N . PRO D 1 197 ? -5.763 20.073 -23.546 1.00 17.01 ? 196 PRO D N 1 ATOM 11019 C CA . PRO D 1 197 ? -5.350 20.490 -24.892 1.00 16.67 ? 196 PRO D CA 1 ATOM 11020 C C . PRO D 1 197 ? -6.119 19.751 -25.987 1.00 16.26 ? 196 PRO D C 1 ATOM 11021 O O . PRO D 1 197 ? -5.526 19.062 -26.815 1.00 16.15 ? 196 PRO D O 1 ATOM 11022 C CB . PRO D 1 197 ? -3.868 20.115 -24.910 1.00 16.67 ? 196 PRO D CB 1 ATOM 11023 C CG . PRO D 1 197 ? -3.833 18.850 -24.141 1.00 17.29 ? 196 PRO D CG 1 ATOM 11024 C CD . PRO D 1 197 ? -4.836 19.047 -23.007 1.00 17.03 ? 196 PRO D CD 1 ATOM 11025 N N A TRP D 1 198 ? -7.437 19.921 -25.991 0.80 16.81 ? 197 TRP D N 1 ATOM 11026 N N B TRP D 1 198 ? -7.442 19.900 -25.985 0.20 16.46 ? 197 TRP D N 1 ATOM 11027 C CA A TRP D 1 198 ? -8.263 19.294 -26.978 0.80 17.87 ? 197 TRP D CA 1 ATOM 11028 C CA B TRP D 1 198 ? -8.355 19.092 -26.826 0.20 16.59 ? 197 TRP D CA 1 ATOM 11029 C C A TRP D 1 198 ? -7.812 19.914 -28.302 0.80 18.44 ? 197 TRP D C 1 ATOM 11030 C C B TRP D 1 198 ? -7.970 18.809 -28.303 0.20 16.41 ? 197 TRP D C 1 ATOM 11031 O O A TRP D 1 198 ? -7.673 21.130 -28.426 0.80 19.16 ? 197 TRP D O 1 ATOM 11032 O O B TRP D 1 198 ? -8.002 17.671 -28.754 0.20 15.90 ? 197 TRP D O 1 ATOM 11033 C CB A TRP D 1 198 ? -9.743 19.609 -26.765 0.80 18.42 ? 197 TRP D CB 1 ATOM 11034 C CB B TRP D 1 198 ? -9.772 19.671 -26.721 0.20 17.18 ? 197 TRP D CB 1 ATOM 11035 C CG A TRP D 1 198 ? -10.326 19.385 -25.388 0.80 18.56 ? 197 TRP D CG 1 ATOM 11036 C CG B TRP D 1 198 ? -10.392 19.450 -25.383 0.20 17.38 ? 197 TRP D CG 1 ATOM 11037 C CD1 A TRP D 1 198 ? -11.016 20.308 -24.641 0.80 18.67 ? 197 TRP D CD1 1 ATOM 11038 C CD1 B TRP D 1 198 ? -11.047 20.379 -24.627 0.20 17.72 ? 197 TRP D CD1 1 ATOM 11039 C CD2 A TRP D 1 198 ? -10.365 18.163 -24.640 0.80 18.39 ? 197 TRP D CD2 1 ATOM 11040 C CD2 B TRP D 1 198 ? -10.425 18.225 -24.633 0.20 17.22 ? 197 TRP D CD2 1 ATOM 11041 N NE1 A TRP D 1 198 ? -11.433 19.751 -23.466 0.80 18.79 ? 197 TRP D NE1 1 ATOM 11042 N NE1 B TRP D 1 198 ? -11.484 19.814 -23.460 0.20 17.81 ? 197 TRP D NE1 1 ATOM 11043 C CE2 A TRP D 1 198 ? -11.070 18.429 -23.444 0.80 18.66 ? 197 TRP D CE2 1 ATOM 11044 C CE2 B TRP D 1 198 ? -11.124 18.491 -23.439 0.20 17.49 ? 197 TRP D CE2 1 ATOM 11045 C CE3 A TRP D 1 198 ? -9.882 16.872 -24.861 0.80 18.93 ? 197 TRP D CE3 1 ATOM 11046 C CE3 B TRP D 1 198 ? -9.940 16.929 -24.857 0.20 17.08 ? 197 TRP D CE3 1 ATOM 11047 C CZ2 A TRP D 1 198 ? -11.288 17.441 -22.453 0.80 19.28 ? 197 TRP D CZ2 1 ATOM 11048 C CZ2 B TRP D 1 198 ? -11.346 17.513 -22.465 0.20 17.59 ? 197 TRP D CZ2 1 ATOM 11049 C CZ3 A TRP D 1 198 ? -10.109 15.897 -23.877 0.80 19.28 ? 197 TRP D CZ3 1 ATOM 11050 C CZ3 B TRP D 1 198 ? -10.168 15.957 -23.884 0.20 17.09 ? 197 TRP D CZ3 1 ATOM 11051 C CH2 A TRP D 1 198 ? -10.803 16.189 -22.704 0.80 18.26 ? 197 TRP D CH2 1 ATOM 11052 C CH2 B TRP D 1 198 ? -10.863 16.257 -22.710 0.20 17.09 ? 197 TRP D CH2 1 ATOM 11053 N N A GLY D 1 199 ? -7.599 19.092 -29.295 0.80 19.12 ? 198 GLY D N 1 ATOM 11054 N N B GLY D 1 199 ? -7.602 19.843 -29.044 0.20 16.79 ? 198 GLY D N 1 ATOM 11055 C CA A GLY D 1 199 ? -7.190 19.622 -30.581 0.80 18.76 ? 198 GLY D CA 1 ATOM 11056 C CA B GLY D 1 199 ? -7.195 19.709 -30.455 0.20 17.15 ? 198 GLY D CA 1 ATOM 11057 C C A GLY D 1 199 ? -5.729 20.022 -30.702 0.80 18.31 ? 198 GLY D C 1 ATOM 11058 C C B GLY D 1 199 ? -5.738 20.062 -30.660 0.20 17.26 ? 198 GLY D C 1 ATOM 11059 O O A GLY D 1 199 ? -5.361 20.594 -31.738 0.80 17.35 ? 198 GLY D O 1 ATOM 11060 O O B GLY D 1 199 ? -5.370 20.625 -31.682 0.20 17.18 ? 198 GLY D O 1 ATOM 11061 N N . GLY D 1 200 ? -4.912 19.717 -29.681 1.00 17.31 ? 199 GLY D N 1 ATOM 11062 C CA . GLY D 1 200 ? -3.457 19.965 -29.733 1.00 17.29 ? 199 GLY D CA 1 ATOM 11063 C C . GLY D 1 200 ? -3.080 21.367 -29.309 1.00 18.51 ? 199 GLY D C 1 ATOM 11064 O O . GLY D 1 200 ? -3.959 22.219 -29.092 1.00 19.40 ? 199 GLY D O 1 ATOM 11065 N N . VAL D 1 201 ? -1.771 21.638 -29.225 1.00 18.21 ? 200 VAL D N 1 ATOM 11066 C CA . VAL D 1 201 ? -1.296 22.965 -28.845 1.00 18.42 ? 200 VAL D CA 1 ATOM 11067 C C . VAL D 1 201 ? -0.213 23.451 -29.809 1.00 17.99 ? 200 VAL D C 1 ATOM 11068 O O . VAL D 1 201 ? 0.596 22.687 -30.301 1.00 15.56 ? 200 VAL D O 1 ATOM 11069 C CB . VAL D 1 201 ? -0.765 23.041 -27.384 1.00 20.57 ? 200 VAL D CB 1 ATOM 11070 C CG1 . VAL D 1 201 ? -1.845 22.610 -26.391 1.00 22.18 ? 200 VAL D CG1 1 ATOM 11071 C CG2 . VAL D 1 201 ? 0.458 22.199 -27.212 1.00 21.74 ? 200 VAL D CG2 1 ATOM 11072 N N . ALA D 1 202 ? -0.192 24.760 -30.058 1.00 17.95 ? 201 ALA D N 1 ATOM 11073 C CA . ALA D 1 202 ? 0.707 25.313 -31.057 1.00 18.15 ? 201 ALA D CA 1 ATOM 11074 C C . ALA D 1 202 ? 2.163 25.122 -30.664 1.00 18.76 ? 201 ALA D C 1 ATOM 11075 O O . ALA D 1 202 ? 3.016 24.959 -31.534 1.00 19.19 ? 201 ALA D O 1 ATOM 11076 C CB . ALA D 1 202 ? 0.397 26.793 -31.251 1.00 19.21 ? 201 ALA D CB 1 ATOM 11077 N N . LYS D 1 203 ? 2.480 25.154 -29.373 1.00 19.72 ? 202 LYS D N 1 ATOM 11078 C CA . LYS D 1 203 ? 3.897 25.133 -28.990 1.00 21.62 ? 202 LYS D CA 1 ATOM 11079 C C . LYS D 1 203 ? 4.660 23.843 -29.332 1.00 18.97 ? 202 LYS D C 1 ATOM 11080 O O . LYS D 1 203 ? 5.897 23.860 -29.391 1.00 17.51 ? 202 LYS D O 1 ATOM 11081 C CB . LYS D 1 203 ? 4.106 25.536 -27.544 1.00 27.11 ? 202 LYS D CB 1 ATOM 11082 C CG . LYS D 1 203 ? 3.784 24.498 -26.515 1.00 32.00 ? 202 LYS D CG 1 ATOM 11083 C CD . LYS D 1 203 ? 4.062 25.021 -25.109 1.00 39.05 ? 202 LYS D CD 1 ATOM 11084 C CE . LYS D 1 203 ? 5.516 25.420 -24.962 1.00 44.50 ? 202 LYS D CE 1 ATOM 11085 N NZ . LYS D 1 203 ? 5.952 25.391 -23.536 1.00 49.26 ? 202 LYS D NZ 1 ATOM 11086 N N . THR D 1 204 ? 3.928 22.772 -29.629 1.00 18.19 ? 203 THR D N 1 ATOM 11087 C CA . THR D 1 204 ? 4.548 21.524 -30.127 1.00 18.33 ? 203 THR D CA 1 ATOM 11088 C C . THR D 1 204 ? 5.392 21.755 -31.400 1.00 17.77 ? 203 THR D C 1 ATOM 11089 O O . THR D 1 204 ? 6.437 21.119 -31.591 1.00 17.21 ? 203 THR D O 1 ATOM 11090 C CB . THR D 1 204 ? 3.488 20.435 -30.414 1.00 18.49 ? 203 THR D CB 1 ATOM 11091 O OG1 . THR D 1 204 ? 2.538 20.960 -31.323 1.00 21.55 ? 203 THR D OG1 1 ATOM 11092 C CG2 . THR D 1 204 ? 2.723 20.066 -29.197 1.00 18.99 ? 203 THR D CG2 1 ATOM 11093 N N . LEU D 1 205 ? 4.980 22.674 -32.269 1.00 17.57 ? 204 LEU D N 1 ATOM 11094 C CA . LEU D 1 205 ? 5.778 22.948 -33.464 1.00 18.90 ? 204 LEU D CA 1 ATOM 11095 C C . LEU D 1 205 ? 7.179 23.456 -33.112 1.00 18.05 ? 204 LEU D C 1 ATOM 11096 O O . LEU D 1 205 ? 8.153 23.065 -33.745 1.00 18.31 ? 204 LEU D O 1 ATOM 11097 C CB . LEU D 1 205 ? 5.120 23.987 -34.372 1.00 20.96 ? 204 LEU D CB 1 ATOM 11098 C CG . LEU D 1 205 ? 3.957 23.657 -35.308 1.00 22.07 ? 204 LEU D CG 1 ATOM 11099 C CD1 . LEU D 1 205 ? 4.296 22.597 -36.339 1.00 22.78 ? 204 LEU D CD1 1 ATOM 11100 C CD2 . LEU D 1 205 ? 2.719 23.320 -34.569 1.00 22.02 ? 204 LEU D CD2 1 ATOM 11101 N N . ARG D 1 206 ? 7.258 24.378 -32.154 1.00 19.01 ? 205 ARG D N 1 ATOM 11102 C CA . ARG D 1 206 ? 8.552 24.928 -31.756 1.00 19.84 ? 205 ARG D CA 1 ATOM 11103 C C . ARG D 1 206 ? 9.413 23.861 -31.105 1.00 19.55 ? 205 ARG D C 1 ATOM 11104 O O . ARG D 1 206 ? 10.613 23.744 -31.384 1.00 18.11 ? 205 ARG D O 1 ATOM 11105 C CB . ARG D 1 206 ? 8.392 26.125 -30.811 1.00 22.32 ? 205 ARG D CB 1 ATOM 11106 C CG . ARG D 1 206 ? 9.740 26.704 -30.361 1.00 25.49 ? 205 ARG D CG 1 ATOM 11107 C CD . ARG D 1 206 ? 9.721 28.019 -29.557 1.00 29.79 ? 205 ARG D CD 1 ATOM 11108 N NE . ARG D 1 206 ? 9.280 27.902 -28.202 1.00 31.98 ? 205 ARG D NE 1 ATOM 11109 C CZ . ARG D 1 206 ? 10.078 27.583 -27.188 1.00 35.71 ? 205 ARG D CZ 1 ATOM 11110 N NH1 . ARG D 1 206 ? 11.378 27.325 -27.356 1.00 35.18 ? 205 ARG D NH1 1 ATOM 11111 N NH2 . ARG D 1 206 ? 9.554 27.520 -25.979 1.00 35.39 ? 205 ARG D NH2 1 ATOM 11112 N N . VAL D 1 207 ? 8.801 23.068 -30.224 1.00 18.60 ? 206 VAL D N 1 ATOM 11113 C CA . VAL D 1 207 ? 9.528 21.969 -29.569 1.00 19.12 ? 206 VAL D CA 1 ATOM 11114 C C . VAL D 1 207 ? 10.208 21.049 -30.605 1.00 19.03 ? 206 VAL D C 1 ATOM 11115 O O . VAL D 1 207 ? 11.431 20.796 -30.535 1.00 18.76 ? 206 VAL D O 1 ATOM 11116 C CB . VAL D 1 207 ? 8.584 21.160 -28.646 1.00 19.43 ? 206 VAL D CB 1 ATOM 11117 C CG1 . VAL D 1 207 ? 9.314 19.939 -28.094 1.00 19.83 ? 206 VAL D CG1 1 ATOM 11118 C CG2 . VAL D 1 207 ? 8.052 22.027 -27.506 1.00 20.02 ? 206 VAL D CG2 1 ATOM 11119 N N . LEU D 1 208 ? 9.434 20.617 -31.607 1.00 18.77 ? 207 LEU D N 1 ATOM 11120 C CA . LEU D 1 208 ? 9.950 19.694 -32.629 1.00 18.33 ? 207 LEU D CA 1 ATOM 11121 C C . LEU D 1 208 ? 10.959 20.333 -33.568 1.00 18.22 ? 207 LEU D C 1 ATOM 11122 O O . LEU D 1 208 ? 11.981 19.726 -33.913 1.00 18.58 ? 207 LEU D O 1 ATOM 11123 C CB . LEU D 1 208 ? 8.811 19.101 -33.440 1.00 18.26 ? 207 LEU D CB 1 ATOM 11124 C CG . LEU D 1 208 ? 7.886 18.201 -32.618 1.00 18.74 ? 207 LEU D CG 1 ATOM 11125 C CD1 . LEU D 1 208 ? 6.595 17.952 -33.368 1.00 19.75 ? 207 LEU D CD1 1 ATOM 11126 C CD2 . LEU D 1 208 ? 8.568 16.898 -32.298 1.00 19.12 ? 207 LEU D CD2 1 ATOM 11127 N N . ALA D 1 209 ? 10.712 21.583 -33.954 1.00 18.16 ? 208 ALA D N 1 ATOM 11128 C CA . ALA D 1 209 ? 11.629 22.257 -34.888 1.00 18.72 ? 208 ALA D CA 1 ATOM 11129 C C . ALA D 1 209 ? 12.974 22.568 -34.240 1.00 19.07 ? 208 ALA D C 1 ATOM 11130 O O . ALA D 1 209 ? 14.034 22.190 -34.752 1.00 20.13 ? 208 ALA D O 1 ATOM 11131 C CB . ALA D 1 209 ? 11.001 23.544 -35.434 1.00 18.63 ? 208 ALA D CB 1 ATOM 11132 N N . SER D 1 210 ? 12.934 23.268 -33.107 1.00 20.07 ? 209 SER D N 1 ATOM 11133 C CA . SER D 1 210 ? 14.149 23.897 -32.570 1.00 20.72 ? 209 SER D CA 1 ATOM 11134 C C . SER D 1 210 ? 14.437 23.629 -31.099 1.00 21.08 ? 209 SER D C 1 ATOM 11135 O O . SER D 1 210 ? 15.438 24.126 -30.568 1.00 21.95 ? 209 SER D O 1 ATOM 11136 C CB . SER D 1 210 ? 14.111 25.397 -32.833 1.00 21.67 ? 209 SER D CB 1 ATOM 11137 O OG . SER D 1 210 ? 12.879 25.982 -32.436 1.00 21.30 ? 209 SER D OG 1 ATOM 11138 N N . GLY D 1 211 ? 13.607 22.802 -30.460 1.00 21.35 ? 210 GLY D N 1 ATOM 11139 C CA . GLY D 1 211 ? 13.831 22.404 -29.077 1.00 23.14 ? 210 GLY D CA 1 ATOM 11140 C C . GLY D 1 211 ? 13.263 23.439 -28.115 1.00 25.19 ? 210 GLY D C 1 ATOM 11141 O O . GLY D 1 211 ? 13.058 24.598 -28.479 1.00 24.83 ? 210 GLY D O 1 ATOM 11142 N N . ASP D 1 212 ? 13.034 23.026 -26.876 1.00 26.01 ? 211 ASP D N 1 ATOM 11143 C CA . ASP D 1 212 ? 12.556 23.933 -25.838 1.00 28.68 ? 211 ASP D CA 1 ATOM 11144 C C . ASP D 1 212 ? 13.331 23.674 -24.549 1.00 28.84 ? 211 ASP D C 1 ATOM 11145 O O . ASP D 1 212 ? 13.089 22.669 -23.880 1.00 28.53 ? 211 ASP D O 1 ATOM 11146 C CB . ASP D 1 212 ? 11.049 23.740 -25.609 1.00 29.78 ? 211 ASP D CB 1 ATOM 11147 C CG . ASP D 1 212 ? 10.455 24.739 -24.609 1.00 33.52 ? 211 ASP D CG 1 ATOM 11148 O OD1 . ASP D 1 212 ? 11.206 25.602 -24.076 1.00 31.18 ? 211 ASP D OD1 1 ATOM 11149 O OD2 . ASP D 1 212 ? 9.208 24.681 -24.405 1.00 38.98 ? 211 ASP D OD2 1 ATOM 11150 N N . ASN D 1 213 ? 14.265 24.571 -24.227 1.00 31.77 ? 212 ASN D N 1 ATOM 11151 C CA . ASN D 1 213 ? 15.064 24.483 -22.990 1.00 33.93 ? 212 ASN D CA 1 ATOM 11152 C C . ASN D 1 213 ? 14.597 25.499 -21.926 1.00 39.66 ? 212 ASN D C 1 ATOM 11153 O O . ASN D 1 213 ? 15.311 25.751 -20.933 1.00 39.34 ? 212 ASN D O 1 ATOM 11154 C CB . ASN D 1 213 ? 16.540 24.738 -23.262 1.00 33.37 ? 212 ASN D CB 1 ATOM 11155 C CG . ASN D 1 213 ? 16.840 26.200 -23.563 1.00 36.03 ? 212 ASN D CG 1 ATOM 11156 O OD1 . ASN D 1 213 ? 15.934 26.986 -23.820 1.00 35.80 ? 212 ASN D OD1 1 ATOM 11157 N ND2 . ASN D 1 213 ? 18.110 26.571 -23.491 1.00 35.02 ? 212 ASN D ND2 1 ATOM 11158 N N . ASN D 1 214 ? 13.397 26.061 -22.101 1.00 41.57 ? 213 ASN D N 1 ATOM 11159 C CA . ASN D 1 214 ? 12.930 27.152 -21.202 1.00 44.89 ? 213 ASN D CA 1 ATOM 11160 C C . ASN D 1 214 ? 12.937 26.750 -19.719 1.00 46.27 ? 213 ASN D C 1 ATOM 11161 O O . ASN D 1 214 ? 12.989 27.594 -18.819 1.00 47.10 ? 213 ASN D O 1 ATOM 11162 C CB . ASN D 1 214 ? 11.513 27.632 -21.563 1.00 46.70 ? 213 ASN D CB 1 ATOM 11163 C CG . ASN D 1 214 ? 11.476 28.460 -22.847 1.00 47.79 ? 213 ASN D CG 1 ATOM 11164 O OD1 . ASN D 1 214 ? 12.502 28.686 -23.506 1.00 51.03 ? 213 ASN D OD1 1 ATOM 11165 N ND2 . ASN D 1 214 ? 10.285 28.901 -23.215 1.00 47.70 ? 213 ASN D ND2 1 ATOM 11166 N N . ARG D 1 215 ? 12.880 25.448 -19.468 1.00 46.64 ? 214 ARG D N 1 ATOM 11167 C CA . ARG D 1 215 ? 12.852 24.947 -18.099 1.00 47.92 ? 214 ARG D CA 1 ATOM 11168 C C . ARG D 1 215 ? 14.168 24.260 -17.730 1.00 49.71 ? 214 ARG D C 1 ATOM 11169 O O . ARG D 1 215 ? 14.224 23.479 -16.788 1.00 49.93 ? 214 ARG D O 1 ATOM 11170 C CB . ARG D 1 215 ? 11.650 24.029 -17.916 1.00 49.94 ? 214 ARG D CB 1 ATOM 11171 C CG . ARG D 1 215 ? 10.360 24.826 -17.969 1.00 53.01 ? 214 ARG D CG 1 ATOM 11172 C CD . ARG D 1 215 ? 9.142 24.009 -17.568 1.00 56.82 ? 214 ARG D CD 1 ATOM 11173 N NE . ARG D 1 215 ? 7.955 24.477 -18.274 1.00 63.46 ? 214 ARG D NE 1 ATOM 11174 C CZ . ARG D 1 215 ? 6.778 23.855 -18.260 1.00 69.61 ? 214 ARG D CZ 1 ATOM 11175 N NH1 . ARG D 1 215 ? 6.611 22.735 -17.564 1.00 70.84 ? 214 ARG D NH1 1 ATOM 11176 N NH2 . ARG D 1 215 ? 5.758 24.361 -18.947 1.00 69.87 ? 214 ARG D NH2 1 ATOM 11177 N N . ILE D 1 216 ? 15.227 24.578 -18.474 1.00 49.65 ? 215 ILE D N 1 ATOM 11178 C CA . ILE D 1 216 ? 16.543 23.990 -18.255 1.00 47.82 ? 215 ILE D CA 1 ATOM 11179 C C . ILE D 1 216 ? 17.530 24.809 -19.101 1.00 45.50 ? 215 ILE D C 1 ATOM 11180 O O . ILE D 1 216 ? 18.185 24.283 -20.011 1.00 41.73 ? 215 ILE D O 1 ATOM 11181 C CB . ILE D 1 216 ? 16.547 22.477 -18.619 1.00 50.07 ? 215 ILE D CB 1 ATOM 11182 C CG1 . ILE D 1 216 ? 17.946 21.864 -18.553 1.00 51.06 ? 215 ILE D CG1 1 ATOM 11183 C CG2 . ILE D 1 216 ? 15.951 22.238 -20.012 1.00 51.35 ? 215 ILE D CG2 1 ATOM 11184 C CD1 . ILE D 1 216 ? 17.927 20.384 -18.267 1.00 53.05 ? 215 ILE D CD1 1 ATOM 11185 N N . PRO D 1 217 ? 17.601 26.132 -18.825 1.00 44.48 ? 216 PRO D N 1 ATOM 11186 C CA . PRO D 1 217 ? 18.338 27.104 -19.632 1.00 43.56 ? 216 PRO D CA 1 ATOM 11187 C C . PRO D 1 217 ? 19.851 26.913 -19.667 1.00 45.00 ? 216 PRO D C 1 ATOM 11188 O O . PRO D 1 217 ? 20.511 27.449 -20.551 1.00 44.57 ? 216 PRO D O 1 ATOM 11189 C CB . PRO D 1 217 ? 18.007 28.442 -18.958 1.00 44.65 ? 216 PRO D CB 1 ATOM 11190 C CG . PRO D 1 217 ? 17.627 28.095 -17.571 1.00 45.12 ? 216 PRO D CG 1 ATOM 11191 C CD . PRO D 1 217 ? 16.888 26.791 -17.714 1.00 44.94 ? 216 PRO D CD 1 ATOM 11192 N N . VAL D 1 218 ? 20.406 26.173 -18.717 1.00 46.00 ? 217 VAL D N 1 ATOM 11193 C CA . VAL D 1 218 ? 21.830 25.853 -18.754 1.00 47.45 ? 217 VAL D CA 1 ATOM 11194 C C . VAL D 1 218 ? 22.135 24.756 -19.793 1.00 47.08 ? 217 VAL D C 1 ATOM 11195 O O . VAL D 1 218 ? 23.300 24.499 -20.090 1.00 48.48 ? 217 VAL D O 1 ATOM 11196 C CB . VAL D 1 218 ? 22.357 25.444 -17.359 1.00 49.23 ? 217 VAL D CB 1 ATOM 11197 C CG1 . VAL D 1 218 ? 21.947 24.020 -16.999 1.00 50.87 ? 217 VAL D CG1 1 ATOM 11198 C CG2 . VAL D 1 218 ? 23.868 25.615 -17.285 1.00 52.78 ? 217 VAL D CG2 1 ATOM 11199 N N . ILE D 1 219 ? 21.099 24.112 -20.342 1.00 42.61 ? 218 ILE D N 1 ATOM 11200 C CA . ILE D 1 219 ? 21.278 23.179 -21.463 1.00 40.84 ? 218 ILE D CA 1 ATOM 11201 C C . ILE D 1 219 ? 20.762 23.739 -22.814 1.00 37.78 ? 218 ILE D C 1 ATOM 11202 O O . ILE D 1 219 ? 19.725 24.401 -22.894 1.00 33.13 ? 218 ILE D O 1 ATOM 11203 C CB . ILE D 1 219 ? 20.602 21.805 -21.203 1.00 42.03 ? 218 ILE D CB 1 ATOM 11204 C CG1 . ILE D 1 219 ? 21.054 21.186 -19.832 1.00 42.02 ? 218 ILE D CG1 1 ATOM 11205 C CG2 . ILE D 1 219 ? 20.854 20.892 -22.411 1.00 42.39 ? 218 ILE D CG2 1 ATOM 11206 C CD1 . ILE D 1 219 ? 22.541 20.891 -19.649 1.00 40.57 ? 218 ILE D CD1 1 ATOM 11207 N N . GLY D 1 220 ? 21.488 23.406 -23.871 1.00 35.79 ? 219 GLY D N 1 ATOM 11208 C CA . GLY D 1 220 ? 21.182 23.874 -25.214 1.00 35.71 ? 219 GLY D CA 1 ATOM 11209 C C . GLY D 1 220 ? 19.823 23.381 -25.711 1.00 33.17 ? 219 GLY D C 1 ATOM 11210 O O . GLY D 1 220 ? 19.451 22.222 -25.469 1.00 31.43 ? 219 GLY D O 1 ATOM 11211 N N . PRO D 1 221 ? 19.059 24.257 -26.386 1.00 32.14 ? 220 PRO D N 1 ATOM 11212 C CA . PRO D 1 221 ? 17.779 23.787 -26.944 1.00 30.64 ? 220 PRO D CA 1 ATOM 11213 C C . PRO D 1 221 ? 17.971 22.678 -27.992 1.00 28.35 ? 220 PRO D C 1 ATOM 11214 O O . PRO D 1 221 ? 17.176 21.754 -28.035 1.00 28.99 ? 220 PRO D O 1 ATOM 11215 C CB . PRO D 1 221 ? 17.167 25.053 -27.554 1.00 31.04 ? 220 PRO D CB 1 ATOM 11216 C CG . PRO D 1 221 ? 18.363 25.916 -27.878 1.00 32.43 ? 220 PRO D CG 1 ATOM 11217 C CD . PRO D 1 221 ? 19.341 25.659 -26.758 1.00 32.80 ? 220 PRO D CD 1 ATOM 11218 N N . LEU D 1 222 ? 19.047 22.720 -28.771 1.00 28.96 ? 221 LEU D N 1 ATOM 11219 C CA . LEU D 1 222 ? 19.289 21.671 -29.781 1.00 29.83 ? 221 LEU D CA 1 ATOM 11220 C C . LEU D 1 222 ? 19.663 20.310 -29.180 1.00 30.08 ? 221 LEU D C 1 ATOM 11221 O O . LEU D 1 222 ? 19.408 19.265 -29.779 1.00 30.31 ? 221 LEU D O 1 ATOM 11222 C CB . LEU D 1 222 ? 20.353 22.104 -30.776 1.00 30.61 ? 221 LEU D CB 1 ATOM 11223 C CG . LEU D 1 222 ? 20.073 23.387 -31.560 1.00 31.38 ? 221 LEU D CG 1 ATOM 11224 C CD1 . LEU D 1 222 ? 21.167 23.588 -32.595 1.00 33.33 ? 221 LEU D CD1 1 ATOM 11225 C CD2 . LEU D 1 222 ? 18.692 23.367 -32.229 1.00 29.59 ? 221 LEU D CD2 1 ATOM 11226 N N . LYS D 1 223 ? 20.250 20.332 -27.991 1.00 31.09 ? 222 LYS D N 1 ATOM 11227 C CA . LYS D 1 223 ? 20.595 19.113 -27.269 1.00 32.60 ? 222 LYS D CA 1 ATOM 11228 C C . LYS D 1 223 ? 19.338 18.448 -26.710 1.00 29.25 ? 222 LYS D C 1 ATOM 11229 O O . LYS D 1 223 ? 19.099 17.260 -26.924 1.00 30.95 ? 222 LYS D O 1 ATOM 11230 C CB . LYS D 1 223 ? 21.585 19.452 -26.144 1.00 34.90 ? 222 LYS D CB 1 ATOM 11231 C CG . LYS D 1 223 ? 22.093 18.248 -25.350 1.00 37.56 ? 222 LYS D CG 1 ATOM 11232 C CD . LYS D 1 223 ? 23.253 18.592 -24.428 1.00 40.93 ? 222 LYS D CD 1 ATOM 11233 C CE . LYS D 1 223 ? 24.651 18.595 -25.075 1.00 42.84 ? 222 LYS D CE 1 ATOM 11234 N NZ . LYS D 1 223 ? 24.758 17.747 -26.294 1.00 44.45 ? 222 LYS D NZ 1 ATOM 11235 N N . ILE D 1 224 ? 18.509 19.213 -26.011 1.00 28.49 ? 223 ILE D N 1 ATOM 11236 C CA . ILE D 1 224 ? 17.281 18.664 -25.448 1.00 27.29 ? 223 ILE D CA 1 ATOM 11237 C C . ILE D 1 224 ? 16.246 18.266 -26.533 1.00 25.47 ? 223 ILE D C 1 ATOM 11238 O O . ILE D 1 224 ? 15.379 17.423 -26.281 1.00 24.87 ? 223 ILE D O 1 ATOM 11239 C CB . ILE D 1 224 ? 16.658 19.622 -24.393 1.00 28.71 ? 223 ILE D CB 1 ATOM 11240 C CG1 . ILE D 1 224 ? 15.606 18.930 -23.535 1.00 30.30 ? 223 ILE D CG1 1 ATOM 11241 C CG2 . ILE D 1 224 ? 16.035 20.849 -25.035 1.00 29.01 ? 223 ILE D CG2 1 ATOM 11242 C CD1 . ILE D 1 224 ? 16.158 17.793 -22.694 1.00 32.82 ? 223 ILE D CD1 1 ATOM 11243 N N . ARG D 1 225 ? 16.333 18.890 -27.710 1.00 23.26 ? 224 ARG D N 1 ATOM 11244 C CA . ARG D 1 225 ? 15.430 18.598 -28.823 1.00 22.98 ? 224 ARG D CA 1 ATOM 11245 C C . ARG D 1 225 ? 15.486 17.110 -29.184 1.00 23.75 ? 224 ARG D C 1 ATOM 11246 O O . ARG D 1 225 ? 14.466 16.526 -29.556 1.00 21.79 ? 224 ARG D O 1 ATOM 11247 C CB . ARG D 1 225 ? 15.797 19.450 -30.032 1.00 22.57 ? 224 ARG D CB 1 ATOM 11248 C CG . ARG D 1 225 ? 14.833 19.343 -31.207 1.00 22.31 ? 224 ARG D CG 1 ATOM 11249 C CD . ARG D 1 225 ? 15.277 20.181 -32.384 1.00 21.74 ? 224 ARG D CD 1 ATOM 11250 N NE . ARG D 1 225 ? 16.553 19.725 -32.940 1.00 22.73 ? 224 ARG D NE 1 ATOM 11251 C CZ . ARG D 1 225 ? 17.217 20.334 -33.910 1.00 23.67 ? 224 ARG D CZ 1 ATOM 11252 N NH1 . ARG D 1 225 ? 16.729 21.416 -34.501 1.00 22.62 ? 224 ARG D NH1 1 ATOM 11253 N NH2 . ARG D 1 225 ? 18.393 19.863 -34.307 1.00 25.22 ? 224 ARG D NH2 1 ATOM 11254 N N . GLU D 1 226 ? 16.661 16.506 -29.013 1.00 25.69 ? 225 GLU D N 1 ATOM 11255 C CA . GLU D 1 226 ? 16.856 15.059 -29.236 1.00 30.48 ? 225 GLU D CA 1 ATOM 11256 C C . GLU D 1 226 ? 15.873 14.212 -28.451 1.00 28.74 ? 225 GLU D C 1 ATOM 11257 O O . GLU D 1 226 ? 15.183 13.343 -29.015 1.00 29.84 ? 225 GLU D O 1 ATOM 11258 C CB . GLU D 1 226 ? 18.274 14.633 -28.821 1.00 35.33 ? 225 GLU D CB 1 ATOM 11259 C CG . GLU D 1 226 ? 19.395 15.318 -29.584 1.00 41.70 ? 225 GLU D CG 1 ATOM 11260 C CD . GLU D 1 226 ? 20.777 15.227 -28.869 1.00 49.59 ? 225 GLU D CD 1 ATOM 11261 O OE1 . GLU D 1 226 ? 20.868 14.663 -27.746 1.00 50.92 ? 225 GLU D OE1 1 ATOM 11262 O OE2 . GLU D 1 226 ? 21.786 15.731 -29.431 1.00 55.38 ? 225 GLU D OE2 1 ATOM 11263 N N . GLN D 1 227 ? 15.730 14.502 -27.164 1.00 28.67 ? 226 GLN D N 1 ATOM 11264 C CA . GLN D 1 227 ? 14.769 13.785 -26.347 1.00 27.75 ? 226 GLN D CA 1 ATOM 11265 C C . GLN D 1 227 ? 13.346 14.132 -26.701 1.00 24.10 ? 226 GLN D C 1 ATOM 11266 O O . GLN D 1 227 ? 12.476 13.268 -26.772 1.00 23.07 ? 226 GLN D O 1 ATOM 11267 C CB . GLN D 1 227 ? 14.977 14.045 -24.842 1.00 29.62 ? 226 GLN D CB 1 ATOM 11268 C CG . GLN D 1 227 ? 14.048 13.241 -23.926 1.00 29.52 ? 226 GLN D CG 1 ATOM 11269 C CD . GLN D 1 227 ? 12.647 13.791 -23.759 1.00 30.28 ? 226 GLN D CD 1 ATOM 11270 O OE1 . GLN D 1 227 ? 11.652 13.044 -23.687 1.00 33.38 ? 226 GLN D OE1 1 ATOM 11271 N NE2 . GLN D 1 227 ? 12.553 15.095 -23.639 1.00 33.91 ? 226 GLN D NE2 1 ATOM 11272 N N . GLN D 1 228 ? 13.084 15.420 -26.880 1.00 22.16 ? 227 GLN D N 1 ATOM 11273 C CA . GLN D 1 228 ? 11.730 15.880 -27.094 1.00 20.75 ? 227 GLN D CA 1 ATOM 11274 C C . GLN D 1 228 ? 11.127 15.296 -28.368 1.00 18.47 ? 227 GLN D C 1 ATOM 11275 O O . GLN D 1 228 ? 9.954 14.894 -28.401 1.00 18.27 ? 227 GLN D O 1 ATOM 11276 C CB . GLN D 1 228 ? 11.699 17.423 -27.095 1.00 21.68 ? 227 GLN D CB 1 ATOM 11277 C CG . GLN D 1 228 ? 12.014 17.995 -25.706 1.00 23.39 ? 227 GLN D CG 1 ATOM 11278 C CD . GLN D 1 228 ? 12.353 19.471 -25.677 1.00 25.00 ? 227 GLN D CD 1 ATOM 11279 O OE1 . GLN D 1 228 ? 12.885 20.045 -26.637 1.00 22.81 ? 227 GLN D OE1 1 ATOM 11280 N NE2 . GLN D 1 228 ? 12.032 20.105 -24.553 1.00 27.89 ? 227 GLN D NE2 1 ATOM 11281 N N . ARG D 1 229 ? 11.934 15.209 -29.414 1.00 19.29 ? 228 ARG D N 1 ATOM 11282 C CA . ARG D 1 229 ? 11.468 14.620 -30.684 1.00 18.70 ? 228 ARG D CA 1 ATOM 11283 C C . ARG D 1 229 ? 11.147 13.147 -30.524 1.00 18.83 ? 228 ARG D C 1 ATOM 11284 O O . ARG D 1 229 ? 10.241 12.630 -31.197 1.00 20.25 ? 228 ARG D O 1 ATOM 11285 C CB . ARG D 1 229 ? 12.529 14.765 -31.777 1.00 19.08 ? 228 ARG D CB 1 ATOM 11286 C CG . ARG D 1 229 ? 12.587 16.156 -32.381 1.00 18.31 ? 228 ARG D CG 1 ATOM 11287 C CD . ARG D 1 229 ? 13.724 16.273 -33.379 1.00 19.27 ? 228 ARG D CD 1 ATOM 11288 N NE . ARG D 1 229 ? 13.681 17.557 -34.077 1.00 18.83 ? 228 ARG D NE 1 ATOM 11289 C CZ . ARG D 1 229 ? 14.521 17.919 -35.049 1.00 20.86 ? 228 ARG D CZ 1 ATOM 11290 N NH1 . ARG D 1 229 ? 15.476 17.098 -35.476 1.00 21.30 ? 228 ARG D NH1 1 ATOM 11291 N NH2 . ARG D 1 229 ? 14.385 19.099 -35.625 1.00 20.52 ? 228 ARG D NH2 1 ATOM 11292 N N . SER D 1 230 ? 11.917 12.473 -29.671 1.00 18.56 ? 229 SER D N 1 ATOM 11293 C CA . SER D 1 230 ? 11.799 11.027 -29.506 1.00 18.56 ? 229 SER D CA 1 ATOM 11294 C C . SER D 1 230 ? 10.485 10.619 -28.813 1.00 18.72 ? 229 SER D C 1 ATOM 11295 O O . SER D 1 230 ? 10.080 9.474 -28.953 1.00 19.79 ? 229 SER D O 1 ATOM 11296 C CB . SER D 1 230 ? 13.021 10.455 -28.746 1.00 18.77 ? 229 SER D CB 1 ATOM 11297 O OG . SER D 1 230 ? 12.937 10.679 -27.351 1.00 19.24 ? 229 SER D OG 1 ATOM 11298 N N . ALA D 1 231 ? 9.882 11.519 -28.040 1.00 18.14 ? 230 ALA D N 1 ATOM 11299 C CA . ALA D 1 231 ? 8.628 11.237 -27.332 1.00 18.31 ? 230 ALA D CA 1 ATOM 11300 C C . ALA D 1 231 ? 7.436 11.355 -28.299 1.00 18.16 ? 230 ALA D C 1 ATOM 11301 O O . ALA D 1 231 ? 7.122 12.430 -28.795 1.00 20.11 ? 230 ALA D O 1 ATOM 11302 C CB . ALA D 1 231 ? 8.452 12.161 -26.140 1.00 18.20 ? 230 ALA D CB 1 ATOM 11303 N N . VAL D 1 232 ? 6.795 10.246 -28.547 1.00 17.71 ? 231 VAL D N 1 ATOM 11304 C CA . VAL D 1 232 ? 5.639 10.160 -29.463 1.00 17.45 ? 231 VAL D CA 1 ATOM 11305 C C . VAL D 1 232 ? 4.548 11.127 -29.047 1.00 17.39 ? 231 VAL D C 1 ATOM 11306 O O . VAL D 1 232 ? 3.872 11.706 -29.908 1.00 17.22 ? 231 VAL D O 1 ATOM 11307 C CB . VAL D 1 232 ? 5.047 8.738 -29.526 1.00 17.63 ? 231 VAL D CB 1 ATOM 11308 C CG1 . VAL D 1 232 ? 3.932 8.658 -30.568 1.00 17.19 ? 231 VAL D CG1 1 ATOM 11309 C CG2 . VAL D 1 232 ? 6.136 7.718 -29.852 1.00 19.07 ? 231 VAL D CG2 1 ATOM 11310 N N . SER D 1 233 ? 4.372 11.323 -27.738 1.00 17.67 ? 232 SER D N 1 ATOM 11311 C CA . SER D 1 233 ? 3.300 12.195 -27.234 1.00 17.20 ? 232 SER D CA 1 ATOM 11312 C C . SER D 1 233 ? 3.441 13.613 -27.762 1.00 17.35 ? 232 SER D C 1 ATOM 11313 O O . SER D 1 233 ? 2.455 14.321 -27.880 1.00 16.53 ? 232 SER D O 1 ATOM 11314 C CB . SER D 1 233 ? 3.249 12.182 -25.673 1.00 17.84 ? 232 SER D CB 1 ATOM 11315 O OG . SER D 1 233 ? 4.536 12.452 -25.131 1.00 17.40 ? 232 SER D OG 1 ATOM 11316 N N . THR D 1 234 ? 4.659 14.064 -28.049 1.00 17.27 ? 233 THR D N 1 ATOM 11317 C CA . THR D 1 234 ? 4.849 15.412 -28.627 1.00 19.07 ? 233 THR D CA 1 ATOM 11318 C C . THR D 1 234 ? 4.191 15.566 -29.999 1.00 18.64 ? 233 THR D C 1 ATOM 11319 O O . THR D 1 234 ? 3.451 16.513 -30.209 1.00 19.38 ? 233 THR D O 1 ATOM 11320 C CB . THR D 1 234 ? 6.345 15.745 -28.729 1.00 21.69 ? 233 THR D CB 1 ATOM 11321 O OG1 . THR D 1 234 ? 6.906 15.572 -27.410 1.00 24.63 ? 233 THR D OG1 1 ATOM 11322 C CG2 . THR D 1 234 ? 6.587 17.167 -29.169 1.00 22.21 ? 233 THR D CG2 1 ATOM 11323 N N . SER D 1 235 ? 4.451 14.625 -30.908 1.00 17.32 ? 234 SER D N 1 ATOM 11324 C CA . SER D 1 235 ? 3.871 14.653 -32.246 1.00 16.80 ? 234 SER D CA 1 ATOM 11325 C C . SER D 1 235 ? 2.358 14.399 -32.203 1.00 15.72 ? 234 SER D C 1 ATOM 11326 O O . SER D 1 235 ? 1.610 14.964 -33.000 1.00 15.45 ? 234 SER D O 1 ATOM 11327 C CB . SER D 1 235 ? 4.549 13.628 -33.166 1.00 17.24 ? 234 SER D CB 1 ATOM 11328 O OG . SER D 1 235 ? 5.904 13.994 -33.437 1.00 17.34 ? 234 SER D OG 1 ATOM 11329 N N . TRP D 1 236 ? 1.904 13.578 -31.248 1.00 14.81 ? 235 TRP D N 1 ATOM 11330 C CA . TRP D 1 236 ? 0.460 13.364 -31.025 1.00 14.73 ? 235 TRP D CA 1 ATOM 11331 C C . TRP D 1 236 ? -0.303 14.667 -30.734 1.00 15.42 ? 235 TRP D C 1 ATOM 11332 O O . TRP D 1 236 ? -1.492 14.802 -31.082 1.00 16.11 ? 235 TRP D O 1 ATOM 11333 C CB . TRP D 1 236 ? 0.278 12.381 -29.865 1.00 14.77 ? 235 TRP D CB 1 ATOM 11334 C CG . TRP D 1 236 ? -1.121 12.017 -29.515 1.00 14.59 ? 235 TRP D CG 1 ATOM 11335 C CD1 . TRP D 1 236 ? -2.140 11.734 -30.374 1.00 15.17 ? 235 TRP D CD1 1 ATOM 11336 C CD2 . TRP D 1 236 ? -1.661 11.877 -28.200 1.00 15.15 ? 235 TRP D CD2 1 ATOM 11337 N NE1 . TRP D 1 236 ? -3.296 11.449 -29.683 1.00 14.88 ? 235 TRP D NE1 1 ATOM 11338 C CE2 . TRP D 1 236 ? -3.036 11.546 -28.343 1.00 15.08 ? 235 TRP D CE2 1 ATOM 11339 C CE3 . TRP D 1 236 ? -1.135 12.024 -26.913 1.00 15.48 ? 235 TRP D CE3 1 ATOM 11340 C CZ2 . TRP D 1 236 ? -3.867 11.329 -27.250 1.00 15.63 ? 235 TRP D CZ2 1 ATOM 11341 C CZ3 . TRP D 1 236 ? -1.978 11.849 -25.825 1.00 15.43 ? 235 TRP D CZ3 1 ATOM 11342 C CH2 . TRP D 1 236 ? -3.326 11.473 -26.002 1.00 16.02 ? 235 TRP D CH2 1 ATOM 11343 N N . LEU D 1 237 ? 0.351 15.617 -30.087 1.00 16.16 ? 236 LEU D N 1 ATOM 11344 C CA . LEU D 1 237 ? -0.315 16.847 -29.693 1.00 17.21 ? 236 LEU D CA 1 ATOM 11345 C C . LEU D 1 237 ? -0.101 18.033 -30.654 1.00 16.13 ? 236 LEU D C 1 ATOM 11346 O O . LEU D 1 237 ? -0.434 19.169 -30.292 1.00 16.42 ? 236 LEU D O 1 ATOM 11347 C CB . LEU D 1 237 ? 0.073 17.203 -28.263 1.00 19.26 ? 236 LEU D CB 1 ATOM 11348 C CG . LEU D 1 237 ? -0.504 16.233 -27.221 1.00 21.96 ? 236 LEU D CG 1 ATOM 11349 C CD1 . LEU D 1 237 ? -0.092 16.715 -25.858 1.00 25.33 ? 236 LEU D CD1 1 ATOM 11350 C CD2 . LEU D 1 237 ? -2.002 16.090 -27.317 1.00 25.03 ? 236 LEU D CD2 1 ATOM 11351 N N . LEU D 1 238 ? 0.416 17.784 -31.866 1.00 15.27 ? 237 LEU D N 1 ATOM 11352 C CA . LEU D 1 238 ? 0.389 18.819 -32.916 1.00 15.42 ? 237 LEU D CA 1 ATOM 11353 C C . LEU D 1 238 ? -1.081 19.205 -33.183 1.00 15.11 ? 237 LEU D C 1 ATOM 11354 O O . LEU D 1 238 ? -1.997 18.371 -33.043 1.00 13.64 ? 237 LEU D O 1 ATOM 11355 C CB . LEU D 1 238 ? 1.034 18.361 -34.220 1.00 15.67 ? 237 LEU D CB 1 ATOM 11356 C CG . LEU D 1 238 ? 2.551 18.211 -34.249 1.00 16.05 ? 237 LEU D CG 1 ATOM 11357 C CD1 . LEU D 1 238 ? 2.966 17.348 -35.429 1.00 17.15 ? 237 LEU D CD1 1 ATOM 11358 C CD2 . LEU D 1 238 ? 3.182 19.587 -34.343 1.00 16.55 ? 237 LEU D CD2 1 ATOM 11359 N N . PRO D 1 239 ? -1.316 20.479 -33.529 1.00 15.23 ? 238 PRO D N 1 ATOM 11360 C CA . PRO D 1 239 ? -2.657 20.976 -33.797 1.00 15.27 ? 238 PRO D CA 1 ATOM 11361 C C . PRO D 1 239 ? -3.483 20.101 -34.730 1.00 16.68 ? 238 PRO D C 1 ATOM 11362 O O . PRO D 1 239 ? -2.969 19.591 -35.749 1.00 15.36 ? 238 PRO D O 1 ATOM 11363 C CB . PRO D 1 239 ? -2.385 22.331 -34.418 1.00 15.85 ? 238 PRO D CB 1 ATOM 11364 C CG . PRO D 1 239 ? -1.168 22.790 -33.706 1.00 15.69 ? 238 PRO D CG 1 ATOM 11365 C CD . PRO D 1 239 ? -0.322 21.564 -33.558 1.00 15.30 ? 238 PRO D CD 1 ATOM 11366 N N . TYR D 1 240 ? -4.770 19.960 -34.390 1.00 16.93 ? 239 TYR D N 1 ATOM 11367 C CA . TYR D 1 240 ? -5.752 19.219 -35.180 1.00 17.67 ? 239 TYR D CA 1 ATOM 11368 C C . TYR D 1 240 ? -6.764 20.123 -35.879 1.00 19.20 ? 239 TYR D C 1 ATOM 11369 O O . TYR D 1 240 ? -7.126 21.185 -35.352 1.00 18.47 ? 239 TYR D O 1 ATOM 11370 C CB . TYR D 1 240 ? -6.541 18.265 -34.278 1.00 17.80 ? 239 TYR D CB 1 ATOM 11371 C CG . TYR D 1 240 ? -5.728 17.063 -33.814 1.00 16.93 ? 239 TYR D CG 1 ATOM 11372 C CD1 . TYR D 1 240 ? -4.853 17.174 -32.729 1.00 17.09 ? 239 TYR D CD1 1 ATOM 11373 C CD2 . TYR D 1 240 ? -5.855 15.824 -34.436 1.00 16.85 ? 239 TYR D CD2 1 ATOM 11374 C CE1 . TYR D 1 240 ? -4.104 16.080 -32.308 1.00 16.43 ? 239 TYR D CE1 1 ATOM 11375 C CE2 . TYR D 1 240 ? -5.120 14.720 -34.022 1.00 17.58 ? 239 TYR D CE2 1 ATOM 11376 C CZ . TYR D 1 240 ? -4.240 14.853 -32.955 1.00 17.46 ? 239 TYR D CZ 1 ATOM 11377 O OH . TYR D 1 240 ? -3.516 13.767 -32.541 1.00 17.37 ? 239 TYR D OH 1 ATOM 11378 N N . ASN D 1 241 ? -7.271 19.661 -37.020 1.00 19.09 ? 240 ASN D N 1 ATOM 11379 C CA . ASN D 1 241 ? -8.265 20.438 -37.783 1.00 21.82 ? 240 ASN D CA 1 ATOM 11380 C C . ASN D 1 241 ? -9.656 20.521 -37.202 1.00 23.69 ? 240 ASN D C 1 ATOM 11381 O O . ASN D 1 241 ? -10.492 21.246 -37.751 1.00 27.10 ? 240 ASN D O 1 ATOM 11382 C CB . ASN D 1 241 ? -8.386 19.982 -39.241 1.00 23.10 ? 240 ASN D CB 1 ATOM 11383 C CG . ASN D 1 241 ? -8.712 18.520 -39.395 1.00 24.88 ? 240 ASN D CG 1 ATOM 11384 O OD1 . ASN D 1 241 ? -9.231 17.868 -38.481 1.00 23.39 ? 240 ASN D OD1 1 ATOM 11385 N ND2 . ASN D 1 241 ? -8.402 17.987 -40.568 1.00 27.64 ? 240 ASN D ND2 1 ATOM 11386 N N . TYR D 1 242 ? -9.954 19.794 -36.131 1.00 22.91 ? 241 TYR D N 1 ATOM 11387 C CA . TYR D 1 242 ? -11.286 19.976 -35.532 1.00 24.93 ? 241 TYR D CA 1 ATOM 11388 C C . TYR D 1 242 ? -11.334 21.168 -34.562 1.00 25.77 ? 241 TYR D C 1 ATOM 11389 O O . TYR D 1 242 ? -12.401 21.566 -34.112 1.00 26.06 ? 241 TYR D O 1 ATOM 11390 C CB . TYR D 1 242 ? -11.783 18.699 -34.879 1.00 25.40 ? 241 TYR D CB 1 ATOM 11391 C CG . TYR D 1 242 ? -10.863 18.054 -33.870 1.00 24.36 ? 241 TYR D CG 1 ATOM 11392 C CD1 . TYR D 1 242 ? -10.783 18.539 -32.581 1.00 26.35 ? 241 TYR D CD1 1 ATOM 11393 C CD2 . TYR D 1 242 ? -10.107 16.934 -34.196 1.00 24.55 ? 241 TYR D CD2 1 ATOM 11394 C CE1 . TYR D 1 242 ? -9.976 17.947 -31.645 1.00 26.78 ? 241 TYR D CE1 1 ATOM 11395 C CE2 . TYR D 1 242 ? -9.268 16.332 -33.262 1.00 26.30 ? 241 TYR D CE2 1 ATOM 11396 C CZ . TYR D 1 242 ? -9.225 16.850 -31.989 1.00 25.93 ? 241 TYR D CZ 1 ATOM 11397 O OH . TYR D 1 242 ? -8.444 16.295 -31.041 1.00 29.62 ? 241 TYR D OH 1 ATOM 11398 N N . THR D 1 243 ? -10.163 21.728 -34.260 1.00 24.71 ? 242 THR D N 1 ATOM 11399 C CA . THR D 1 243 ? -10.021 22.933 -33.450 1.00 26.35 ? 242 THR D CA 1 ATOM 11400 C C . THR D 1 243 ? -9.511 24.118 -34.246 1.00 24.98 ? 242 THR D C 1 ATOM 11401 O O . THR D 1 243 ? -9.991 25.237 -34.099 1.00 26.10 ? 242 THR D O 1 ATOM 11402 C CB . THR D 1 243 ? -9.010 22.655 -32.313 1.00 26.37 ? 242 THR D CB 1 ATOM 11403 O OG1 . THR D 1 243 ? -9.625 21.748 -31.409 1.00 30.17 ? 242 THR D OG1 1 ATOM 11404 C CG2 . THR D 1 243 ? -8.649 23.890 -31.567 1.00 29.54 ? 242 THR D CG2 1 ATOM 11405 N N A TRP D 1 244 ? -8.521 23.880 -35.098 0.50 22.63 ? 243 TRP D N 1 ATOM 11406 N N B TRP D 1 244 ? -8.510 23.878 -35.080 0.50 24.29 ? 243 TRP D N 1 ATOM 11407 C CA A TRP D 1 244 ? -7.822 24.934 -35.796 0.50 21.53 ? 243 TRP D CA 1 ATOM 11408 C CA B TRP D 1 244 ? -7.888 24.947 -35.826 0.50 24.18 ? 243 TRP D CA 1 ATOM 11409 C C A TRP D 1 244 ? -8.194 24.923 -37.281 0.50 21.98 ? 243 TRP D C 1 ATOM 11410 C C B TRP D 1 244 ? -8.270 24.927 -37.285 0.50 23.45 ? 243 TRP D C 1 ATOM 11411 O O A TRP D 1 244 ? -8.423 23.871 -37.863 0.50 21.58 ? 243 TRP D O 1 ATOM 11412 O O B TRP D 1 244 ? -8.571 23.881 -37.848 0.50 22.99 ? 243 TRP D O 1 ATOM 11413 C CB A TRP D 1 244 ? -6.307 24.688 -35.668 0.50 19.99 ? 243 TRP D CB 1 ATOM 11414 C CB B TRP D 1 244 ? -6.382 24.828 -35.747 0.50 24.35 ? 243 TRP D CB 1 ATOM 11415 C CG A TRP D 1 244 ? -5.763 24.594 -34.235 0.50 18.38 ? 243 TRP D CG 1 ATOM 11416 C CG B TRP D 1 244 ? -5.795 25.626 -34.658 0.50 25.01 ? 243 TRP D CG 1 ATOM 11417 C CD1 A TRP D 1 244 ? -5.751 23.492 -33.438 0.50 17.69 ? 243 TRP D CD1 1 ATOM 11418 C CD1 B TRP D 1 244 ? -5.620 26.978 -34.624 0.50 25.22 ? 243 TRP D CD1 1 ATOM 11419 C CD2 A TRP D 1 244 ? -5.138 25.636 -33.476 0.50 17.84 ? 243 TRP D CD2 1 ATOM 11420 C CD2 B TRP D 1 244 ? -5.280 25.119 -33.443 0.50 23.73 ? 243 TRP D CD2 1 ATOM 11421 N NE1 A TRP D 1 244 ? -5.154 23.777 -32.236 0.50 16.95 ? 243 TRP D NE1 1 ATOM 11422 N NE1 B TRP D 1 244 ? -5.015 27.345 -33.448 0.50 25.45 ? 243 TRP D NE1 1 ATOM 11423 C CE2 A TRP D 1 244 ? -4.777 25.092 -32.233 0.50 17.23 ? 243 TRP D CE2 1 ATOM 11424 C CE2 B TRP D 1 244 ? -4.790 26.213 -32.708 0.50 24.31 ? 243 TRP D CE2 1 ATOM 11425 C CE3 A TRP D 1 244 ? -4.839 26.974 -33.734 0.50 18.49 ? 243 TRP D CE3 1 ATOM 11426 C CE3 B TRP D 1 244 ? -5.175 23.840 -32.904 0.50 23.22 ? 243 TRP D CE3 1 ATOM 11427 C CZ2 A TRP D 1 244 ? -4.139 25.836 -31.255 0.50 17.15 ? 243 TRP D CZ2 1 ATOM 11428 C CZ2 B TRP D 1 244 ? -4.218 26.064 -31.464 0.50 23.57 ? 243 TRP D CZ2 1 ATOM 11429 C CZ3 A TRP D 1 244 ? -4.205 27.715 -32.755 0.50 18.02 ? 243 TRP D CZ3 1 ATOM 11430 C CZ3 B TRP D 1 244 ? -4.607 23.696 -31.688 0.50 22.73 ? 243 TRP D CZ3 1 ATOM 11431 C CH2 A TRP D 1 244 ? -3.861 27.138 -31.530 0.50 17.56 ? 243 TRP D CH2 1 ATOM 11432 C CH2 B TRP D 1 244 ? -4.136 24.798 -30.969 0.50 23.55 ? 243 TRP D CH2 1 ATOM 11433 N N . SER D 1 245 ? -8.212 26.099 -37.893 1.00 22.81 ? 244 SER D N 1 ATOM 11434 C CA . SER D 1 245 ? -8.382 26.213 -39.318 1.00 24.17 ? 244 SER D CA 1 ATOM 11435 C C . SER D 1 245 ? -7.225 25.503 -40.041 1.00 23.98 ? 244 SER D C 1 ATOM 11436 O O . SER D 1 245 ? -6.053 25.716 -39.711 1.00 21.99 ? 244 SER D O 1 ATOM 11437 C CB . SER D 1 245 ? -8.377 27.684 -39.724 1.00 25.52 ? 244 SER D CB 1 ATOM 11438 O OG . SER D 1 245 ? -8.354 27.793 -41.124 1.00 26.38 ? 244 SER D OG 1 ATOM 11439 N N . PRO D 1 246 ? -7.544 24.690 -41.058 1.00 26.04 ? 245 PRO D N 1 ATOM 11440 C CA . PRO D 1 246 ? -6.465 24.079 -41.848 1.00 27.04 ? 245 PRO D CA 1 ATOM 11441 C C . PRO D 1 246 ? -5.550 25.075 -42.569 1.00 26.64 ? 245 PRO D C 1 ATOM 11442 O O . PRO D 1 246 ? -4.468 24.711 -42.986 1.00 28.18 ? 245 PRO D O 1 ATOM 11443 C CB . PRO D 1 246 ? -7.223 23.207 -42.862 1.00 28.24 ? 245 PRO D CB 1 ATOM 11444 C CG . PRO D 1 246 ? -8.523 22.904 -42.171 1.00 29.61 ? 245 PRO D CG 1 ATOM 11445 C CD . PRO D 1 246 ? -8.872 24.210 -41.497 1.00 28.27 ? 245 PRO D CD 1 ATOM 11446 N N . GLU D 1 247 ? -5.968 26.327 -42.693 1.00 26.91 ? 246 GLU D N 1 ATOM 11447 C CA . GLU D 1 247 ? -5.139 27.341 -43.325 1.00 28.89 ? 246 GLU D CA 1 ATOM 11448 C C . GLU D 1 247 ? -4.352 28.238 -42.344 1.00 27.25 ? 246 GLU D C 1 ATOM 11449 O O . GLU D 1 247 ? -3.623 29.131 -42.768 1.00 26.76 ? 246 GLU D O 1 ATOM 11450 C CB . GLU D 1 247 ? -6.009 28.208 -44.220 1.00 32.82 ? 246 GLU D CB 1 ATOM 11451 C CG . GLU D 1 247 ? -6.615 27.440 -45.396 1.00 36.24 ? 246 GLU D CG 1 ATOM 11452 C CD . GLU D 1 247 ? -7.731 26.443 -45.046 1.00 40.66 ? 246 GLU D CD 1 ATOM 11453 O OE1 . GLU D 1 247 ? -8.569 26.740 -44.160 1.00 44.46 ? 246 GLU D OE1 1 ATOM 11454 O OE2 . GLU D 1 247 ? -7.815 25.359 -45.680 1.00 46.00 ? 246 GLU D OE2 1 ATOM 11455 N N . LYS D 1 248 ? -4.512 28.036 -41.040 1.00 25.41 ? 247 LYS D N 1 ATOM 11456 C CA . LYS D 1 248 ? -3.732 28.830 -40.078 1.00 25.37 ? 247 LYS D CA 1 ATOM 11457 C C . LYS D 1 248 ? -2.242 28.464 -40.197 1.00 22.72 ? 247 LYS D C 1 ATOM 11458 O O . LYS D 1 248 ? -1.879 27.287 -40.128 1.00 21.46 ? 247 LYS D O 1 ATOM 11459 C CB . LYS D 1 248 ? -4.177 28.592 -38.633 1.00 27.39 ? 247 LYS D CB 1 ATOM 11460 C CG . LYS D 1 248 ? -3.203 29.295 -37.676 1.00 29.63 ? 247 LYS D CG 1 ATOM 11461 C CD . LYS D 1 248 ? -3.648 29.414 -36.262 1.00 32.76 ? 247 LYS D CD 1 ATOM 11462 C CE . LYS D 1 248 ? -2.540 30.064 -35.431 1.00 33.90 ? 247 LYS D CE 1 ATOM 11463 N NZ . LYS D 1 248 ? -2.390 31.506 -35.770 1.00 36.64 ? 247 LYS D NZ 1 ATOM 11464 N N . VAL D 1 249 ? -1.391 29.460 -40.311 1.00 21.54 ? 248 VAL D N 1 ATOM 11465 C CA . VAL D 1 249 ? 0.059 29.238 -40.375 1.00 21.63 ? 248 VAL D CA 1 ATOM 11466 C C . VAL D 1 249 ? 0.622 29.196 -38.965 1.00 20.37 ? 248 VAL D C 1 ATOM 11467 O O . VAL D 1 249 ? 0.496 30.166 -38.223 1.00 20.71 ? 248 VAL D O 1 ATOM 11468 C CB . VAL D 1 249 ? 0.767 30.352 -41.174 1.00 22.90 ? 248 VAL D CB 1 ATOM 11469 C CG1 . VAL D 1 249 ? 2.279 30.158 -41.159 1.00 23.71 ? 248 VAL D CG1 1 ATOM 11470 C CG2 . VAL D 1 249 ? 0.257 30.370 -42.602 1.00 24.37 ? 248 VAL D CG2 1 ATOM 11471 N N . PHE D 1 250 ? 1.241 28.082 -38.588 1.00 19.24 ? 249 PHE D N 1 ATOM 11472 C CA . PHE D 1 250 ? 1.867 27.930 -37.269 1.00 18.90 ? 249 PHE D CA 1 ATOM 11473 C C . PHE D 1 250 ? 3.353 28.277 -37.282 1.00 18.94 ? 249 PHE D C 1 ATOM 11474 O O . PHE D 1 250 ? 3.899 28.696 -36.264 1.00 18.32 ? 249 PHE D O 1 ATOM 11475 C CB . PHE D 1 250 ? 1.714 26.488 -36.764 1.00 18.76 ? 249 PHE D CB 1 ATOM 11476 C CG . PHE D 1 250 ? 0.315 26.159 -36.357 1.00 18.43 ? 249 PHE D CG 1 ATOM 11477 C CD1 . PHE D 1 250 ? -0.191 26.643 -35.161 1.00 19.15 ? 249 PHE D CD1 1 ATOM 11478 C CD2 . PHE D 1 250 ? -0.497 25.377 -37.163 1.00 18.66 ? 249 PHE D CD2 1 ATOM 11479 C CE1 . PHE D 1 250 ? -1.501 26.367 -34.784 1.00 19.26 ? 249 PHE D CE1 1 ATOM 11480 C CE2 . PHE D 1 250 ? -1.798 25.086 -36.789 1.00 18.79 ? 249 PHE D CE2 1 ATOM 11481 C CZ . PHE D 1 250 ? -2.295 25.571 -35.602 1.00 18.79 ? 249 PHE D CZ 1 ATOM 11482 N N . VAL D 1 251 ? 4.002 28.033 -38.414 1.00 17.86 ? 250 VAL D N 1 ATOM 11483 C CA . VAL D 1 251 ? 5.429 28.286 -38.559 1.00 18.29 ? 250 VAL D CA 1 ATOM 11484 C C . VAL D 1 251 ? 5.677 29.018 -39.872 1.00 19.36 ? 250 VAL D C 1 ATOM 11485 O O . VAL D 1 251 ? 5.294 28.515 -40.946 1.00 18.62 ? 250 VAL D O 1 ATOM 11486 C CB . VAL D 1 251 ? 6.248 26.973 -38.534 1.00 17.99 ? 250 VAL D CB 1 ATOM 11487 C CG1 . VAL D 1 251 ? 7.721 27.243 -38.827 1.00 19.17 ? 250 VAL D CG1 1 ATOM 11488 C CG2 . VAL D 1 251 ? 6.134 26.284 -37.182 1.00 17.90 ? 250 VAL D CG2 1 ATOM 11489 N N . GLN D 1 252 ? 6.321 30.178 -39.781 1.00 20.35 ? 251 GLN D N 1 ATOM 11490 C CA . GLN D 1 252 ? 6.777 30.907 -40.948 1.00 22.02 ? 251 GLN D CA 1 ATOM 11491 C C . GLN D 1 252 ? 8.291 30.951 -40.958 1.00 22.38 ? 251 GLN D C 1 ATOM 11492 O O . GLN D 1 252 ? 8.904 31.179 -39.940 1.00 21.68 ? 251 GLN D O 1 ATOM 11493 C CB . GLN D 1 252 ? 6.331 32.380 -40.931 1.00 25.19 ? 251 GLN D CB 1 ATOM 11494 C CG . GLN D 1 252 ? 4.853 32.645 -41.016 1.00 28.34 ? 251 GLN D CG 1 ATOM 11495 C CD . GLN D 1 252 ? 4.536 34.137 -41.042 1.00 31.60 ? 251 GLN D CD 1 ATOM 11496 O OE1 . GLN D 1 252 ? 3.940 34.640 -40.100 1.00 37.65 ? 251 GLN D OE1 1 ATOM 11497 N NE2 . GLN D 1 252 ? 4.979 34.847 -42.053 1.00 30.00 ? 251 GLN D NE2 1 ATOM 11498 N N . THR D 1 253 ? 8.866 30.813 -42.144 1.00 24.03 ? 252 THR D N 1 ATOM 11499 C CA . THR D 1 253 ? 10.305 30.953 -42.349 1.00 26.84 ? 252 THR D CA 1 ATOM 11500 C C . THR D 1 253 ? 10.481 31.873 -43.561 1.00 29.73 ? 252 THR D C 1 ATOM 11501 O O . THR D 1 253 ? 9.487 32.230 -44.208 1.00 30.39 ? 252 THR D O 1 ATOM 11502 C CB . THR D 1 253 ? 10.989 29.600 -42.634 1.00 27.47 ? 252 THR D CB 1 ATOM 11503 O OG1 . THR D 1 253 ? 10.866 29.280 -44.033 1.00 30.00 ? 252 THR D OG1 1 ATOM 11504 C CG2 . THR D 1 253 ? 10.397 28.501 -41.808 1.00 26.96 ? 252 THR D CG2 1 ATOM 11505 N N . PRO D 1 254 ? 11.730 32.253 -43.888 1.00 34.16 ? 253 PRO D N 1 ATOM 11506 C CA . PRO D 1 254 ? 11.907 33.133 -45.073 1.00 38.06 ? 253 PRO D CA 1 ATOM 11507 C C . PRO D 1 254 ? 11.459 32.519 -46.398 1.00 37.69 ? 253 PRO D C 1 ATOM 11508 O O . PRO D 1 254 ? 11.112 33.260 -47.321 1.00 41.28 ? 253 PRO D O 1 ATOM 11509 C CB . PRO D 1 254 ? 13.419 33.403 -45.101 1.00 38.73 ? 253 PRO D CB 1 ATOM 11510 C CG . PRO D 1 254 ? 13.896 33.078 -43.726 1.00 38.79 ? 253 PRO D CG 1 ATOM 11511 C CD . PRO D 1 254 ? 13.018 31.945 -43.260 1.00 35.74 ? 253 PRO D CD 1 ATOM 11512 N N . THR D 1 255 ? 11.422 31.190 -46.492 1.00 36.41 ? 254 THR D N 1 ATOM 11513 C CA . THR D 1 255 ? 11.098 30.526 -47.762 1.00 37.59 ? 254 THR D CA 1 ATOM 11514 C C . THR D 1 255 ? 9.855 29.636 -47.786 1.00 35.76 ? 254 THR D C 1 ATOM 11515 O O . THR D 1 255 ? 9.487 29.131 -48.838 1.00 38.71 ? 254 THR D O 1 ATOM 11516 C CB . THR D 1 255 ? 12.262 29.637 -48.195 1.00 40.31 ? 254 THR D CB 1 ATOM 11517 O OG1 . THR D 1 255 ? 12.571 28.721 -47.146 1.00 43.76 ? 254 THR D OG1 1 ATOM 11518 C CG2 . THR D 1 255 ? 13.490 30.496 -48.516 1.00 43.03 ? 254 THR D CG2 1 ATOM 11519 N N . ILE D 1 256 ? 9.218 29.391 -46.652 1.00 30.64 ? 255 ILE D N 1 ATOM 11520 C CA . ILE D 1 256 ? 8.108 28.450 -46.619 1.00 28.22 ? 255 ILE D CA 1 ATOM 11521 C C . ILE D 1 256 ? 7.274 28.661 -45.345 1.00 24.40 ? 255 ILE D C 1 ATOM 11522 O O . ILE D 1 256 ? 7.799 29.092 -44.310 1.00 25.97 ? 255 ILE D O 1 ATOM 11523 C CB . ILE D 1 256 ? 8.647 26.993 -46.713 1.00 30.43 ? 255 ILE D CB 1 ATOM 11524 C CG1 . ILE D 1 256 ? 7.525 25.986 -46.897 1.00 30.92 ? 255 ILE D CG1 1 ATOM 11525 C CG2 . ILE D 1 256 ? 9.470 26.630 -45.482 1.00 32.40 ? 255 ILE D CG2 1 ATOM 11526 C CD1 . ILE D 1 256 ? 8.037 24.589 -47.191 1.00 30.92 ? 255 ILE D CD1 1 ATOM 11527 N N A ASN D 1 257 ? 5.984 28.421 -45.382 0.50 22.12 ? 256 ASN D N 1 ATOM 11528 N N B ASN D 1 257 ? 5.967 28.405 -45.472 0.50 21.98 ? 256 ASN D N 1 ATOM 11529 C CA A ASN D 1 257 ? 5.292 28.368 -44.110 0.50 21.18 ? 256 ASN D CA 1 ATOM 11530 C CA B ASN D 1 257 ? 4.991 28.418 -44.380 0.50 21.03 ? 256 ASN D CA 1 ATOM 11531 C C A ASN D 1 257 ? 4.577 27.053 -44.013 0.50 20.27 ? 256 ASN D C 1 ATOM 11532 C C B ASN D 1 257 ? 4.542 26.982 -44.053 0.50 20.14 ? 256 ASN D C 1 ATOM 11533 O O A ASN D 1 257 ? 4.455 26.347 -45.003 0.50 19.94 ? 256 ASN D O 1 ATOM 11534 O O B ASN D 1 257 ? 4.490 26.130 -44.950 0.50 20.01 ? 256 ASN D O 1 ATOM 11535 C CB A ASN D 1 257 ? 4.388 29.583 -43.870 0.50 21.30 ? 256 ASN D CB 1 ATOM 11536 C CB B ASN D 1 257 ? 3.745 29.209 -44.802 0.50 20.66 ? 256 ASN D CB 1 ATOM 11537 C CG A ASN D 1 257 ? 3.201 29.636 -44.794 0.50 21.47 ? 256 ASN D CG 1 ATOM 11538 C CG B ASN D 1 257 ? 3.961 30.719 -44.754 0.50 21.02 ? 256 ASN D CG 1 ATOM 11539 O OD1 A ASN D 1 257 ? 2.520 28.642 -44.997 0.50 20.65 ? 256 ASN D OD1 1 ATOM 11540 O OD1 B ASN D 1 257 ? 4.798 31.198 -44.035 0.50 21.01 ? 256 ASN D OD1 1 ATOM 11541 N ND2 A ASN D 1 257 ? 2.931 30.828 -45.344 0.50 22.45 ? 256 ASN D ND2 1 ATOM 11542 N ND2 B ASN D 1 257 ? 3.199 31.459 -45.505 0.50 21.16 ? 256 ASN D ND2 1 ATOM 11543 N N . TYR D 1 258 ? 4.182 26.722 -42.792 1.00 18.79 ? 257 TYR D N 1 ATOM 11544 C CA . TYR D 1 258 ? 3.589 25.429 -42.433 1.00 18.25 ? 257 TYR D CA 1 ATOM 11545 C C . TYR D 1 258 ? 2.295 25.621 -41.661 1.00 18.26 ? 257 TYR D C 1 ATOM 11546 O O . TYR D 1 258 ? 2.275 26.279 -40.599 1.00 18.33 ? 257 TYR D O 1 ATOM 11547 C CB . TYR D 1 258 ? 4.541 24.597 -41.579 1.00 17.81 ? 257 TYR D CB 1 ATOM 11548 C CG . TYR D 1 258 ? 5.895 24.350 -42.219 1.00 17.95 ? 257 TYR D CG 1 ATOM 11549 C CD1 . TYR D 1 258 ? 6.104 23.294 -43.118 1.00 18.18 ? 257 TYR D CD1 1 ATOM 11550 C CD2 . TYR D 1 258 ? 6.966 25.175 -41.931 1.00 19.18 ? 257 TYR D CD2 1 ATOM 11551 C CE1 . TYR D 1 258 ? 7.353 23.070 -43.693 1.00 18.90 ? 257 TYR D CE1 1 ATOM 11552 C CE2 . TYR D 1 258 ? 8.207 24.962 -42.507 1.00 19.51 ? 257 TYR D CE2 1 ATOM 11553 C CZ . TYR D 1 258 ? 8.398 23.901 -43.380 1.00 19.37 ? 257 TYR D CZ 1 ATOM 11554 O OH . TYR D 1 258 ? 9.647 23.706 -43.917 1.00 20.23 ? 257 TYR D OH 1 ATOM 11555 N N . THR D 1 259 ? 1.242 25.012 -42.192 1.00 17.44 ? 258 THR D N 1 ATOM 11556 C CA . THR D 1 259 ? -0.057 24.839 -41.556 1.00 16.71 ? 258 THR D CA 1 ATOM 11557 C C . THR D 1 259 ? -0.209 23.403 -41.077 1.00 16.66 ? 258 THR D C 1 ATOM 11558 O O . THR D 1 259 ? 0.668 22.551 -41.315 1.00 15.24 ? 258 THR D O 1 ATOM 11559 C CB . THR D 1 259 ? -1.204 25.125 -42.565 1.00 17.14 ? 258 THR D CB 1 ATOM 11560 O OG1 . THR D 1 259 ? -1.322 24.047 -43.521 1.00 17.28 ? 258 THR D OG1 1 ATOM 11561 C CG2 . THR D 1 259 ? -0.998 26.436 -43.317 1.00 17.91 ? 258 THR D CG2 1 ATOM 11562 N N . LEU D 1 260 ? -1.358 23.079 -40.460 1.00 16.64 ? 259 LEU D N 1 ATOM 11563 C CA . LEU D 1 260 ? -1.587 21.696 -40.032 1.00 16.74 ? 259 LEU D CA 1 ATOM 11564 C C . LEU D 1 260 ? -1.792 20.705 -41.186 1.00 16.95 ? 259 LEU D C 1 ATOM 11565 O O . LEU D 1 260 ? -1.827 19.480 -40.980 1.00 17.51 ? 259 LEU D O 1 ATOM 11566 C CB . LEU D 1 260 ? -2.764 21.592 -39.050 1.00 17.37 ? 259 LEU D CB 1 ATOM 11567 C CG . LEU D 1 260 ? -4.162 21.951 -39.552 1.00 18.31 ? 259 LEU D CG 1 ATOM 11568 C CD1 . LEU D 1 260 ? -4.819 20.804 -40.285 1.00 18.71 ? 259 LEU D CD1 1 ATOM 11569 C CD2 . LEU D 1 260 ? -5.006 22.349 -38.348 1.00 19.03 ? 259 LEU D CD2 1 ATOM 11570 N N . ARG D 1 261 ? -1.943 21.207 -42.395 1.00 16.59 ? 260 ARG D N 1 ATOM 11571 C CA . ARG D 1 261 ? -1.979 20.342 -43.584 1.00 16.94 ? 260 ARG D CA 1 ATOM 11572 C C . ARG D 1 261 ? -0.587 20.060 -44.155 1.00 17.06 ? 260 ARG D C 1 ATOM 11573 O O . ARG D 1 261 ? -0.462 19.379 -45.199 1.00 16.63 ? 260 ARG D O 1 ATOM 11574 C CB . ARG D 1 261 ? -2.852 20.972 -44.670 1.00 17.05 ? 260 ARG D CB 1 ATOM 11575 C CG . ARG D 1 261 ? -4.310 21.135 -44.243 1.00 17.71 ? 260 ARG D CG 1 ATOM 11576 C CD . ARG D 1 261 ? -5.264 21.273 -45.406 1.00 18.87 ? 260 ARG D CD 1 ATOM 11577 N NE . ARG D 1 261 ? -5.062 22.525 -46.125 1.00 18.62 ? 260 ARG D NE 1 ATOM 11578 C CZ . ARG D 1 261 ? -5.726 22.851 -47.232 1.00 19.53 ? 260 ARG D CZ 1 ATOM 11579 N NH1 . ARG D 1 261 ? -6.637 22.035 -47.758 1.00 19.48 ? 260 ARG D NH1 1 ATOM 11580 N NH2 . ARG D 1 261 ? -5.453 23.995 -47.852 1.00 20.20 ? 260 ARG D NH2 1 ATOM 11581 N N . ASP D 1 262 ? 0.441 20.562 -43.485 1.00 16.38 ? 261 ASP D N 1 ATOM 11582 C CA . ASP D 1 262 ? 1.811 20.511 -44.002 1.00 16.66 ? 261 ASP D CA 1 ATOM 11583 C C . ASP D 1 262 ? 2.785 19.724 -43.145 1.00 16.27 ? 261 ASP D C 1 ATOM 11584 O O . ASP D 1 262 ? 4.010 19.926 -43.249 1.00 16.81 ? 261 ASP D O 1 ATOM 11585 C CB . ASP D 1 262 ? 2.346 21.933 -44.198 1.00 17.10 ? 261 ASP D CB 1 ATOM 11586 C CG . ASP D 1 262 ? 1.537 22.745 -45.163 1.00 17.68 ? 261 ASP D CG 1 ATOM 11587 O OD1 . ASP D 1 262 ? 1.208 22.257 -46.272 1.00 18.77 ? 261 ASP D OD1 1 ATOM 11588 O OD2 . ASP D 1 262 ? 1.253 23.931 -44.828 1.00 18.63 ? 261 ASP D OD2 1 ATOM 11589 N N . TYR D 1 263 ? 2.278 18.833 -42.283 1.00 16.15 ? 262 TYR D N 1 ATOM 11590 C CA . TYR D 1 263 ? 3.162 18.129 -41.375 1.00 16.32 ? 262 TYR D CA 1 ATOM 11591 C C . TYR D 1 263 ? 4.193 17.226 -42.069 1.00 17.16 ? 262 TYR D C 1 ATOM 11592 O O . TYR D 1 263 ? 5.320 17.118 -41.588 1.00 17.19 ? 262 TYR D O 1 ATOM 11593 C CB . TYR D 1 263 ? 2.385 17.346 -40.299 1.00 16.46 ? 262 TYR D CB 1 ATOM 11594 C CG . TYR D 1 263 ? 1.605 18.211 -39.301 1.00 16.01 ? 262 TYR D CG 1 ATOM 11595 C CD1 . TYR D 1 263 ? 2.071 19.456 -38.871 1.00 16.94 ? 262 TYR D CD1 1 ATOM 11596 C CD2 . TYR D 1 263 ? 0.401 17.780 -38.806 1.00 16.21 ? 262 TYR D CD2 1 ATOM 11597 C CE1 . TYR D 1 263 ? 1.336 20.243 -37.985 1.00 16.41 ? 262 TYR D CE1 1 ATOM 11598 C CE2 . TYR D 1 263 ? -0.344 18.553 -37.933 1.00 15.53 ? 262 TYR D CE2 1 ATOM 11599 C CZ . TYR D 1 263 ? 0.122 19.770 -37.516 1.00 16.02 ? 262 TYR D CZ 1 ATOM 11600 O OH . TYR D 1 263 ? -0.613 20.539 -36.623 1.00 15.52 ? 262 TYR D OH 1 ATOM 11601 N N . ARG D 1 264 ? 3.822 16.569 -43.171 1.00 17.29 ? 263 ARG D N 1 ATOM 11602 C CA . ARG D 1 264 ? 4.785 15.724 -43.852 1.00 18.78 ? 263 ARG D CA 1 ATOM 11603 C C . ARG D 1 264 ? 6.000 16.565 -44.333 1.00 18.77 ? 263 ARG D C 1 ATOM 11604 O O . ARG D 1 264 ? 7.139 16.171 -44.069 1.00 18.73 ? 263 ARG D O 1 ATOM 11605 C CB . ARG D 1 264 ? 4.156 14.958 -45.005 1.00 20.46 ? 263 ARG D CB 1 ATOM 11606 C CG . ARG D 1 264 ? 5.030 13.818 -45.536 1.00 22.72 ? 263 ARG D CG 1 ATOM 11607 C CD . ARG D 1 264 ? 4.321 13.104 -46.681 1.00 24.48 ? 263 ARG D CD 1 ATOM 11608 N NE . ARG D 1 264 ? 4.916 11.825 -47.075 1.00 26.73 ? 263 ARG D NE 1 ATOM 11609 C CZ . ARG D 1 264 ? 5.887 11.671 -47.965 1.00 29.21 ? 263 ARG D CZ 1 ATOM 11610 N NH1 . ARG D 1 264 ? 6.450 12.720 -48.570 1.00 30.02 ? 263 ARG D NH1 1 ATOM 11611 N NH2 . ARG D 1 264 ? 6.322 10.444 -48.241 1.00 29.65 ? 263 ARG D NH2 1 ATOM 11612 N N . LYS D 1 265 ? 5.747 17.724 -44.940 1.00 17.89 ? 264 LYS D N 1 ATOM 11613 C CA . LYS D 1 265 ? 6.811 18.657 -45.362 1.00 19.25 ? 264 LYS D CA 1 ATOM 11614 C C . LYS D 1 265 ? 7.618 19.147 -44.171 1.00 18.36 ? 264 LYS D C 1 ATOM 11615 O O . LYS D 1 265 ? 8.829 19.252 -44.253 1.00 18.14 ? 264 LYS D O 1 ATOM 11616 C CB . LYS D 1 265 ? 6.250 19.933 -46.013 1.00 20.45 ? 264 LYS D CB 1 ATOM 11617 C CG . LYS D 1 265 ? 5.463 19.745 -47.266 1.00 21.77 ? 264 LYS D CG 1 ATOM 11618 C CD . LYS D 1 265 ? 5.347 21.043 -48.057 1.00 21.89 ? 264 LYS D CD 1 ATOM 11619 C CE . LYS D 1 265 ? 4.542 22.131 -47.377 1.00 21.74 ? 264 LYS D CE 1 ATOM 11620 N NZ . LYS D 1 265 ? 4.181 23.145 -48.401 1.00 21.47 ? 264 LYS D NZ 1 ATOM 11621 N N . PHE D 1 266 ? 6.926 19.518 -43.100 1.00 18.13 ? 265 PHE D N 1 ATOM 11622 C CA . PHE D 1 266 ? 7.564 20.008 -41.866 1.00 18.47 ? 265 PHE D CA 1 ATOM 11623 C C . PHE D 1 266 ? 8.575 18.995 -41.335 1.00 18.94 ? 265 PHE D C 1 ATOM 11624 O O . PHE D 1 266 ? 9.736 19.333 -41.067 1.00 19.30 ? 265 PHE D O 1 ATOM 11625 C CB . PHE D 1 266 ? 6.486 20.298 -40.829 1.00 19.13 ? 265 PHE D CB 1 ATOM 11626 C CG . PHE D 1 266 ? 7.012 20.725 -39.478 1.00 19.75 ? 265 PHE D CG 1 ATOM 11627 C CD1 . PHE D 1 266 ? 7.505 22.009 -39.285 1.00 19.72 ? 265 PHE D CD1 1 ATOM 11628 C CD2 . PHE D 1 266 ? 7.014 19.844 -38.414 1.00 19.87 ? 265 PHE D CD2 1 ATOM 11629 C CE1 . PHE D 1 266 ? 7.963 22.408 -38.040 1.00 20.26 ? 265 PHE D CE1 1 ATOM 11630 C CE2 . PHE D 1 266 ? 7.476 20.239 -37.165 1.00 20.51 ? 265 PHE D CE2 1 ATOM 11631 C CZ . PHE D 1 266 ? 7.946 21.526 -36.979 1.00 20.37 ? 265 PHE D CZ 1 ATOM 11632 N N . PHE D 1 267 ? 8.154 17.752 -41.217 1.00 18.15 ? 266 PHE D N 1 ATOM 11633 C CA . PHE D 1 267 ? 9.040 16.715 -40.696 1.00 19.44 ? 266 PHE D CA 1 ATOM 11634 C C . PHE D 1 267 ? 10.204 16.414 -41.625 1.00 21.30 ? 266 PHE D C 1 ATOM 11635 O O . PHE D 1 267 ? 11.346 16.231 -41.145 1.00 22.64 ? 266 PHE D O 1 ATOM 11636 C CB . PHE D 1 267 ? 8.246 15.466 -40.341 1.00 19.00 ? 266 PHE D CB 1 ATOM 11637 C CG . PHE D 1 267 ? 7.487 15.587 -39.047 1.00 19.46 ? 266 PHE D CG 1 ATOM 11638 C CD1 . PHE D 1 267 ? 8.161 15.731 -37.838 1.00 19.54 ? 266 PHE D CD1 1 ATOM 11639 C CD2 . PHE D 1 267 ? 6.097 15.502 -39.022 1.00 19.53 ? 266 PHE D CD2 1 ATOM 11640 C CE1 . PHE D 1 267 ? 7.461 15.825 -36.643 1.00 19.53 ? 266 PHE D CE1 1 ATOM 11641 C CE2 . PHE D 1 267 ? 5.398 15.577 -37.834 1.00 18.59 ? 266 PHE D CE2 1 ATOM 11642 C CZ . PHE D 1 267 ? 6.073 15.729 -36.644 1.00 19.01 ? 266 PHE D CZ 1 ATOM 11643 N N . GLN D 1 268 ? 9.959 16.436 -42.942 1.00 21.98 ? 267 GLN D N 1 ATOM 11644 C CA . GLN D 1 268 ? 11.059 16.349 -43.902 1.00 23.76 ? 267 GLN D CA 1 ATOM 11645 C C . GLN D 1 268 ? 12.032 17.507 -43.727 1.00 23.08 ? 267 GLN D C 1 ATOM 11646 O O . GLN D 1 268 ? 13.255 17.299 -43.686 1.00 23.59 ? 267 GLN D O 1 ATOM 11647 C CB . GLN D 1 268 ? 10.568 16.367 -45.356 1.00 25.20 ? 267 GLN D CB 1 ATOM 11648 C CG . GLN D 1 268 ? 9.786 15.147 -45.776 1.00 27.50 ? 267 GLN D CG 1 ATOM 11649 C CD . GLN D 1 268 ? 9.286 15.277 -47.223 1.00 30.97 ? 267 GLN D CD 1 ATOM 11650 O OE1 . GLN D 1 268 ? 8.707 16.295 -47.621 1.00 30.14 ? 267 GLN D OE1 1 ATOM 11651 N NE2 . GLN D 1 268 ? 9.511 14.243 -48.007 1.00 33.43 ? 267 GLN D NE2 1 ATOM 11652 N N . ASP D 1 269 ? 11.503 18.716 -43.614 1.00 21.80 ? 268 ASP D N 1 ATOM 11653 C CA . ASP D 1 269 ? 12.339 19.915 -43.649 1.00 22.94 ? 268 ASP D CA 1 ATOM 11654 C C . ASP D 1 269 ? 13.136 20.169 -42.345 1.00 24.64 ? 268 ASP D C 1 ATOM 11655 O O . ASP D 1 269 ? 14.157 20.863 -42.371 1.00 25.25 ? 268 ASP D O 1 ATOM 11656 C CB . ASP D 1 269 ? 11.507 21.139 -43.985 1.00 22.20 ? 268 ASP D CB 1 ATOM 11657 C CG . ASP D 1 269 ? 10.944 21.105 -45.408 1.00 22.35 ? 268 ASP D CG 1 ATOM 11658 O OD1 . ASP D 1 269 ? 11.362 20.252 -46.211 1.00 20.65 ? 268 ASP D OD1 1 ATOM 11659 O OD2 . ASP D 1 269 ? 10.092 21.948 -45.736 1.00 21.02 ? 268 ASP D OD2 1 ATOM 11660 N N . ILE D 1 270 ? 12.675 19.639 -41.214 1.00 24.74 ? 269 ILE D N 1 ATOM 11661 C CA . ILE D 1 270 ? 13.442 19.723 -39.954 1.00 26.79 ? 269 ILE D CA 1 ATOM 11662 C C . ILE D 1 270 ? 14.409 18.552 -39.777 1.00 28.61 ? 269 ILE D C 1 ATOM 11663 O O . ILE D 1 270 ? 15.156 18.523 -38.788 1.00 31.80 ? 269 ILE D O 1 ATOM 11664 C CB . ILE D 1 270 ? 12.554 19.847 -38.692 1.00 25.68 ? 269 ILE D CB 1 ATOM 11665 C CG1 . ILE D 1 270 ? 11.784 18.553 -38.399 1.00 24.58 ? 269 ILE D CG1 1 ATOM 11666 C CG2 . ILE D 1 270 ? 11.627 21.056 -38.791 1.00 26.58 ? 269 ILE D CG2 1 ATOM 11667 C CD1 . ILE D 1 270 ? 10.887 18.630 -37.184 1.00 23.71 ? 269 ILE D CD1 1 ATOM 11668 N N . GLY D 1 271 ? 14.356 17.584 -40.690 1.00 28.10 ? 270 GLY D N 1 ATOM 11669 C CA . GLY D 1 271 ? 15.222 16.426 -40.654 1.00 30.29 ? 270 GLY D CA 1 ATOM 11670 C C . GLY D 1 271 ? 14.786 15.361 -39.657 1.00 30.17 ? 270 GLY D C 1 ATOM 11671 O O . GLY D 1 271 ? 15.630 14.738 -39.021 1.00 30.38 ? 270 GLY D O 1 ATOM 11672 N N . PHE D 1 272 ? 13.472 15.157 -39.510 1.00 26.49 ? 271 PHE D N 1 ATOM 11673 C CA . PHE D 1 272 ? 12.961 14.204 -38.548 1.00 24.29 ? 271 PHE D CA 1 ATOM 11674 C C . PHE D 1 272 ? 11.778 13.449 -39.126 1.00 24.52 ? 271 PHE D C 1 ATOM 11675 O O . PHE D 1 272 ? 10.635 13.635 -38.711 1.00 21.99 ? 271 PHE D O 1 ATOM 11676 C CB . PHE D 1 272 ? 12.591 14.897 -37.220 1.00 24.80 ? 271 PHE D CB 1 ATOM 11677 C CG . PHE D 1 272 ? 12.156 13.940 -36.133 1.00 25.03 ? 271 PHE D CG 1 ATOM 11678 C CD1 . PHE D 1 272 ? 12.974 12.868 -35.779 1.00 25.11 ? 271 PHE D CD1 1 ATOM 11679 C CD2 . PHE D 1 272 ? 10.950 14.103 -35.468 1.00 24.75 ? 271 PHE D CD2 1 ATOM 11680 C CE1 . PHE D 1 272 ? 12.583 11.984 -34.788 1.00 25.80 ? 271 PHE D CE1 1 ATOM 11681 C CE2 . PHE D 1 272 ? 10.558 13.204 -34.476 1.00 24.52 ? 271 PHE D CE2 1 ATOM 11682 C CZ . PHE D 1 272 ? 11.368 12.144 -34.151 1.00 23.50 ? 271 PHE D CZ 1 ATOM 11683 N N . GLU D 1 273 ? 12.072 12.588 -40.091 1.00 25.63 ? 272 GLU D N 1 ATOM 11684 C CA . GLU D 1 273 ? 11.027 11.871 -40.798 1.00 28.00 ? 272 GLU D CA 1 ATOM 11685 C C . GLU D 1 273 ? 10.236 10.918 -39.894 1.00 25.37 ? 272 GLU D C 1 ATOM 11686 O O . GLU D 1 273 ? 9.058 10.722 -40.134 1.00 23.47 ? 272 GLU D O 1 ATOM 11687 C CB . GLU D 1 273 ? 11.607 11.183 -42.049 1.00 33.87 ? 272 GLU D CB 1 ATOM 11688 C CG . GLU D 1 273 ? 11.981 12.236 -43.117 1.00 40.83 ? 272 GLU D CG 1 ATOM 11689 C CD . GLU D 1 273 ? 12.647 11.665 -44.373 1.00 48.28 ? 272 GLU D CD 1 ATOM 11690 O OE1 . GLU D 1 273 ? 12.866 10.427 -44.459 1.00 52.55 ? 272 GLU D OE1 1 ATOM 11691 O OE2 . GLU D 1 273 ? 12.962 12.478 -45.277 1.00 51.11 ? 272 GLU D OE2 1 ATOM 11692 N N . ASP D 1 274 ? 10.854 10.379 -38.835 1.00 24.91 ? 273 ASP D N 1 ATOM 11693 C CA . ASP D 1 274 ? 10.141 9.514 -37.888 1.00 24.43 ? 273 ASP D CA 1 ATOM 11694 C C . ASP D 1 274 ? 8.952 10.215 -37.233 1.00 22.19 ? 273 ASP D C 1 ATOM 11695 O O . ASP D 1 274 ? 7.968 9.572 -36.904 1.00 20.34 ? 273 ASP D O 1 ATOM 11696 C CB . ASP D 1 274 ? 11.038 9.039 -36.740 1.00 26.56 ? 273 ASP D CB 1 ATOM 11697 C CG . ASP D 1 274 ? 12.017 7.938 -37.137 1.00 28.83 ? 273 ASP D CG 1 ATOM 11698 O OD1 . ASP D 1 274 ? 11.894 7.357 -38.220 1.00 29.95 ? 273 ASP D OD1 1 ATOM 11699 O OD2 . ASP D 1 274 ? 12.935 7.689 -36.323 1.00 31.42 ? 273 ASP D OD2 1 ATOM 11700 N N . GLY D 1 275 ? 9.032 11.538 -37.066 1.00 20.04 ? 274 GLY D N 1 ATOM 11701 C CA . GLY D 1 275 ? 7.919 12.273 -36.521 1.00 19.89 ? 274 GLY D CA 1 ATOM 11702 C C . GLY D 1 275 ? 6.652 12.196 -37.356 1.00 19.84 ? 274 GLY D C 1 ATOM 11703 O O . GLY D 1 275 ? 5.553 12.177 -36.800 1.00 19.54 ? 274 GLY D O 1 ATOM 11704 N N . TRP D 1 276 ? 6.802 12.146 -38.680 1.00 18.82 ? 275 TRP D N 1 ATOM 11705 C CA . TRP D 1 276 ? 5.655 11.982 -39.573 1.00 18.98 ? 275 TRP D CA 1 ATOM 11706 C C . TRP D 1 276 ? 5.028 10.615 -39.360 1.00 18.46 ? 275 TRP D C 1 ATOM 11707 O O . TRP D 1 276 ? 3.801 10.493 -39.307 1.00 18.26 ? 275 TRP D O 1 ATOM 11708 C CB . TRP D 1 276 ? 6.065 12.184 -41.057 1.00 19.75 ? 275 TRP D CB 1 ATOM 11709 C CG . TRP D 1 276 ? 5.030 11.799 -42.035 1.00 20.48 ? 275 TRP D CG 1 ATOM 11710 C CD1 . TRP D 1 276 ? 5.118 10.807 -42.988 1.00 21.93 ? 275 TRP D CD1 1 ATOM 11711 C CD2 . TRP D 1 276 ? 3.738 12.397 -42.192 1.00 20.15 ? 275 TRP D CD2 1 ATOM 11712 N NE1 . TRP D 1 276 ? 3.951 10.775 -43.730 1.00 21.70 ? 275 TRP D NE1 1 ATOM 11713 C CE2 . TRP D 1 276 ? 3.096 11.736 -43.261 1.00 21.78 ? 275 TRP D CE2 1 ATOM 11714 C CE3 . TRP D 1 276 ? 3.069 13.435 -41.545 1.00 19.92 ? 275 TRP D CE3 1 ATOM 11715 C CZ2 . TRP D 1 276 ? 1.798 12.081 -43.686 1.00 23.09 ? 275 TRP D CZ2 1 ATOM 11716 C CZ3 . TRP D 1 276 ? 1.782 13.780 -41.971 1.00 21.22 ? 275 TRP D CZ3 1 ATOM 11717 C CH2 . TRP D 1 276 ? 1.161 13.095 -43.024 1.00 21.91 ? 275 TRP D CH2 1 ATOM 11718 N N . LEU D 1 277 ? 5.870 9.598 -39.220 1.00 18.64 ? 276 LEU D N 1 ATOM 11719 C CA . LEU D 1 277 ? 5.382 8.252 -38.950 1.00 19.49 ? 276 LEU D CA 1 ATOM 11720 C C . LEU D 1 277 ? 4.643 8.214 -37.601 1.00 18.24 ? 276 LEU D C 1 ATOM 11721 O O . LEU D 1 277 ? 3.568 7.620 -37.499 1.00 18.89 ? 276 LEU D O 1 ATOM 11722 C CB . LEU D 1 277 ? 6.521 7.226 -39.018 1.00 20.58 ? 276 LEU D CB 1 ATOM 11723 C CG . LEU D 1 277 ? 7.344 7.185 -40.313 1.00 22.09 ? 276 LEU D CG 1 ATOM 11724 C CD1 . LEU D 1 277 ? 8.471 6.161 -40.220 1.00 23.33 ? 276 LEU D CD1 1 ATOM 11725 C CD2 . LEU D 1 277 ? 6.451 6.890 -41.514 1.00 23.25 ? 276 LEU D CD2 1 ATOM 11726 N N . MET D 1 278 ? 5.184 8.875 -36.590 1.00 18.02 ? 277 MET D N 1 ATOM 11727 C CA . MET D 1 278 ? 4.499 8.994 -35.278 1.00 18.60 ? 277 MET D CA 1 ATOM 11728 C C . MET D 1 278 ? 3.158 9.718 -35.372 1.00 17.99 ? 277 MET D C 1 ATOM 11729 O O . MET D 1 278 ? 2.172 9.293 -34.765 1.00 18.15 ? 277 MET D O 1 ATOM 11730 C CB . MET D 1 278 ? 5.374 9.732 -34.281 1.00 20.13 ? 277 MET D CB 1 ATOM 11731 C CG . MET D 1 278 ? 6.643 8.998 -33.877 1.00 22.09 ? 277 MET D CG 1 ATOM 11732 S SD . MET D 1 278 ? 7.638 10.144 -32.874 1.00 27.03 ? 277 MET D SD 1 ATOM 11733 C CE . MET D 1 278 ? 9.086 9.154 -32.588 1.00 30.55 ? 277 MET D CE 1 ATOM 11734 N N . ARG D 1 279 ? 3.116 10.788 -36.143 1.00 17.42 ? 278 ARG D N 1 ATOM 11735 C CA . ARG D 1 279 ? 1.862 11.513 -36.346 1.00 17.36 ? 278 ARG D CA 1 ATOM 11736 C C . ARG D 1 279 ? 0.836 10.643 -37.057 1.00 18.83 ? 278 ARG D C 1 ATOM 11737 O O . ARG D 1 279 ? -0.337 10.573 -36.619 1.00 18.67 ? 278 ARG D O 1 ATOM 11738 C CB . ARG D 1 279 ? 2.099 12.813 -37.086 1.00 17.15 ? 278 ARG D CB 1 ATOM 11739 C CG . ARG D 1 279 ? 0.826 13.643 -37.320 1.00 17.39 ? 278 ARG D CG 1 ATOM 11740 C CD . ARG D 1 279 ? 0.192 14.087 -36.013 1.00 16.50 ? 278 ARG D CD 1 ATOM 11741 N NE . ARG D 1 279 ? -0.937 14.998 -36.244 1.00 16.64 ? 278 ARG D NE 1 ATOM 11742 C CZ . ARG D 1 279 ? -1.548 15.717 -35.293 1.00 17.01 ? 278 ARG D CZ 1 ATOM 11743 N NH1 . ARG D 1 279 ? -1.147 15.663 -34.026 1.00 16.08 ? 278 ARG D NH1 1 ATOM 11744 N NH2 . ARG D 1 279 ? -2.559 16.525 -35.615 1.00 17.71 ? 278 ARG D NH2 1 ATOM 11745 N N . GLN D 1 280 ? 1.257 9.919 -38.100 1.00 19.93 ? 279 GLN D N 1 ATOM 11746 C CA . GLN D 1 280 ? 0.353 8.972 -38.752 1.00 21.50 ? 279 GLN D CA 1 ATOM 11747 C C . GLN D 1 280 ? -0.141 7.909 -37.789 1.00 21.48 ? 279 GLN D C 1 ATOM 11748 O O . GLN D 1 280 ? -1.309 7.526 -37.872 1.00 21.64 ? 279 GLN D O 1 ATOM 11749 C CB . GLN D 1 280 ? 1.021 8.261 -39.927 1.00 23.53 ? 279 GLN D CB 1 ATOM 11750 C CG . GLN D 1 280 ? 1.296 9.156 -41.093 1.00 25.18 ? 279 GLN D CG 1 ATOM 11751 C CD . GLN D 1 280 ? 1.846 8.365 -42.262 1.00 29.29 ? 279 GLN D CD 1 ATOM 11752 O OE1 . GLN D 1 280 ? 2.815 7.614 -42.119 1.00 33.13 ? 279 GLN D OE1 1 ATOM 11753 N NE2 . GLN D 1 280 ? 1.189 8.472 -43.393 1.00 30.92 ? 279 GLN D NE2 1 ATOM 11754 N N . ASP D 1 281 ? 0.743 7.401 -36.924 1.00 20.36 ? 280 ASP D N 1 ATOM 11755 C CA . ASP D 1 281 ? 0.383 6.359 -35.951 1.00 20.93 ? 280 ASP D CA 1 ATOM 11756 C C . ASP D 1 281 ? -0.684 6.872 -34.952 1.00 21.49 ? 280 ASP D C 1 ATOM 11757 O O . ASP D 1 281 ? -1.458 6.080 -34.413 1.00 21.79 ? 280 ASP D O 1 ATOM 11758 C CB . ASP D 1 281 ? 1.576 5.936 -35.065 1.00 21.82 ? 280 ASP D CB 1 ATOM 11759 C CG . ASP D 1 281 ? 2.707 5.233 -35.804 1.00 24.16 ? 280 ASP D CG 1 ATOM 11760 O OD1 . ASP D 1 281 ? 2.514 4.715 -36.939 1.00 24.35 ? 280 ASP D OD1 1 ATOM 11761 O OD2 . ASP D 1 281 ? 3.830 5.184 -35.190 1.00 23.24 ? 280 ASP D OD2 1 ATOM 11762 N N . THR D 1 282 ? -0.689 8.173 -34.646 1.00 18.81 ? 281 THR D N 1 ATOM 11763 C CA . THR D 1 282 ? -1.443 8.685 -33.504 1.00 18.79 ? 281 THR D CA 1 ATOM 11764 C C . THR D 1 282 ? -2.597 9.665 -33.812 1.00 19.56 ? 281 THR D C 1 ATOM 11765 O O . THR D 1 282 ? -3.486 9.837 -32.965 1.00 18.60 ? 281 THR D O 1 ATOM 11766 C CB . THR D 1 282 ? -0.501 9.371 -32.490 1.00 17.85 ? 281 THR D CB 1 ATOM 11767 O OG1 . THR D 1 282 ? 0.129 10.509 -33.104 1.00 17.23 ? 281 THR D OG1 1 ATOM 11768 C CG2 . THR D 1 282 ? 0.550 8.423 -32.017 1.00 17.78 ? 281 THR D CG2 1 ATOM 11769 N N . GLU D 1 283 ? -2.623 10.243 -35.020 1.00 20.47 ? 282 GLU D N 1 ATOM 11770 C CA . GLU D 1 283 ? -3.593 11.291 -35.360 1.00 20.83 ? 282 GLU D CA 1 ATOM 11771 C C . GLU D 1 283 ? -5.048 10.805 -35.313 1.00 20.38 ? 282 GLU D C 1 ATOM 11772 O O . GLU D 1 283 ? -5.958 11.609 -35.110 1.00 21.17 ? 282 GLU D O 1 ATOM 11773 C CB . GLU D 1 283 ? -3.301 11.905 -36.741 1.00 24.01 ? 282 GLU D CB 1 ATOM 11774 C CG . GLU D 1 283 ? -3.468 10.931 -37.898 1.00 27.97 ? 282 GLU D CG 1 ATOM 11775 C CD . GLU D 1 283 ? -3.108 11.518 -39.256 1.00 33.69 ? 282 GLU D CD 1 ATOM 11776 O OE1 . GLU D 1 283 ? -2.722 12.716 -39.327 1.00 37.93 ? 282 GLU D OE1 1 ATOM 11777 O OE2 . GLU D 1 283 ? -3.199 10.754 -40.246 1.00 37.18 ? 282 GLU D OE2 1 ATOM 11778 N N . GLY D 1 284 ? -5.269 9.511 -35.484 1.00 19.27 ? 283 GLY D N 1 ATOM 11779 C CA . GLY D 1 284 ? -6.620 8.974 -35.489 1.00 20.64 ? 283 GLY D CA 1 ATOM 11780 C C . GLY D 1 284 ? -7.069 8.353 -34.173 1.00 20.49 ? 283 GLY D C 1 ATOM 11781 O O . GLY D 1 284 ? -8.186 7.851 -34.089 1.00 20.81 ? 283 GLY D O 1 ATOM 11782 N N . LEU D 1 285 ? -6.245 8.407 -33.125 1.00 18.99 ? 284 LEU D N 1 ATOM 11783 C CA . LEU D 1 285 ? -6.561 7.690 -31.879 1.00 19.97 ? 284 LEU D CA 1 ATOM 11784 C C . LEU D 1 285 ? -7.788 8.256 -31.170 1.00 20.63 ? 284 LEU D C 1 ATOM 11785 O O . LEU D 1 285 ? -8.647 7.508 -30.720 1.00 20.47 ? 284 LEU D O 1 ATOM 11786 C CB . LEU D 1 285 ? -5.378 7.731 -30.917 1.00 19.66 ? 284 LEU D CB 1 ATOM 11787 C CG . LEU D 1 285 ? -4.131 6.990 -31.374 1.00 20.21 ? 284 LEU D CG 1 ATOM 11788 C CD1 . LEU D 1 285 ? -2.965 7.271 -30.425 1.00 19.68 ? 284 LEU D CD1 1 ATOM 11789 C CD2 . LEU D 1 285 ? -4.423 5.512 -31.511 1.00 21.98 ? 284 LEU D CD2 1 ATOM 11790 N N . VAL D 1 286 ? -7.858 9.573 -31.055 1.00 21.73 ? 285 VAL D N 1 ATOM 11791 C CA . VAL D 1 286 ? -8.993 10.235 -30.412 1.00 24.69 ? 285 VAL D CA 1 ATOM 11792 C C . VAL D 1 286 ? -9.993 10.651 -31.482 1.00 28.60 ? 285 VAL D C 1 ATOM 11793 O O . VAL D 1 286 ? -9.650 11.367 -32.412 1.00 27.61 ? 285 VAL D O 1 ATOM 11794 C CB . VAL D 1 286 ? -8.510 11.427 -29.579 1.00 26.33 ? 285 VAL D CB 1 ATOM 11795 C CG1 . VAL D 1 286 ? -9.656 12.312 -29.107 1.00 29.35 ? 285 VAL D CG1 1 ATOM 11796 C CG2 . VAL D 1 286 ? -7.736 10.912 -28.387 1.00 25.96 ? 285 VAL D CG2 1 ATOM 11797 N N . GLU D 1 287 ? -11.232 10.179 -31.365 1.00 31.66 ? 286 GLU D N 1 ATOM 11798 C CA . GLU D 1 287 ? -12.246 10.487 -32.367 1.00 34.30 ? 286 GLU D CA 1 ATOM 11799 C C . GLU D 1 287 ? -12.609 11.969 -32.279 1.00 34.06 ? 286 GLU D C 1 ATOM 11800 O O . GLU D 1 287 ? -13.025 12.492 -31.235 1.00 32.06 ? 286 GLU D O 1 ATOM 11801 C CB . GLU D 1 287 ? -13.473 9.588 -32.199 1.00 38.49 ? 286 GLU D CB 1 ATOM 11802 C CG . GLU D 1 287 ? -14.132 9.196 -33.515 1.00 44.42 ? 286 GLU D CG 1 ATOM 11803 C CD . GLU D 1 287 ? -14.809 10.363 -34.213 1.00 46.59 ? 286 GLU D CD 1 ATOM 11804 O OE1 . GLU D 1 287 ? -15.434 11.204 -33.524 1.00 48.39 ? 286 GLU D OE1 1 ATOM 11805 O OE2 . GLU D 1 287 ? -14.708 10.450 -35.453 1.00 51.10 ? 286 GLU D OE2 1 ATOM 11806 N N . ALA D 1 288 ? -12.440 12.632 -33.416 1.00 35.21 ? 287 ALA D N 1 ATOM 11807 C CA . ALA D 1 288 ? -12.533 14.086 -33.543 1.00 36.75 ? 287 ALA D CA 1 ATOM 11808 C C . ALA D 1 288 ? -13.773 14.727 -32.914 1.00 38.00 ? 287 ALA D C 1 ATOM 11809 O O . ALA D 1 288 ? -13.673 15.781 -32.258 1.00 40.04 ? 287 ALA D O 1 ATOM 11810 C CB . ALA D 1 288 ? -12.438 14.461 -35.022 1.00 37.58 ? 287 ALA D CB 1 ATOM 11811 N N . THR D 1 289 ? -14.932 14.092 -33.087 1.00 36.71 ? 288 THR D N 1 ATOM 11812 C CA . THR D 1 289 ? -16.186 14.705 -32.667 1.00 38.28 ? 288 THR D CA 1 ATOM 11813 C C . THR D 1 289 ? -16.873 14.041 -31.465 1.00 37.58 ? 288 THR D C 1 ATOM 11814 O O . THR D 1 289 ? -17.743 14.677 -30.844 1.00 38.25 ? 288 THR D O 1 ATOM 11815 C CB . THR D 1 289 ? -17.198 14.727 -33.849 1.00 40.31 ? 288 THR D CB 1 ATOM 11816 O OG1 . THR D 1 289 ? -17.465 13.390 -34.282 1.00 40.11 ? 288 THR D OG1 1 ATOM 11817 C CG2 . THR D 1 289 ? -16.637 15.524 -35.026 1.00 40.70 ? 288 THR D CG2 1 ATOM 11818 N N . MET D 1 290 ? -16.510 12.786 -31.166 1.00 34.09 ? 289 MET D N 1 ATOM 11819 C CA . MET D 1 290 ? -17.209 11.975 -30.175 1.00 33.90 ? 289 MET D CA 1 ATOM 11820 C C . MET D 1 290 ? -16.968 12.493 -28.748 1.00 30.77 ? 289 MET D C 1 ATOM 11821 O O . MET D 1 290 ? -15.822 12.571 -28.309 1.00 27.63 ? 289 MET D O 1 ATOM 11822 C CB . MET D 1 290 ? -16.762 10.521 -30.276 1.00 35.12 ? 289 MET D CB 1 ATOM 11823 C CG . MET D 1 290 ? -17.545 9.551 -29.421 1.00 38.57 ? 289 MET D CG 1 ATOM 11824 S SD . MET D 1 290 ? -16.764 7.920 -29.485 1.00 42.70 ? 289 MET D SD 1 ATOM 11825 C CE . MET D 1 290 ? -17.894 6.957 -28.500 1.00 41.55 ? 289 MET D CE 1 ATOM 11826 N N . PRO D 1 291 ? -18.054 12.839 -28.024 1.00 27.43 ? 290 PRO D N 1 ATOM 11827 C CA . PRO D 1 291 ? -17.941 13.337 -26.666 1.00 25.36 ? 290 PRO D CA 1 ATOM 11828 C C . PRO D 1 291 ? -17.607 12.192 -25.713 1.00 23.82 ? 290 PRO D C 1 ATOM 11829 O O . PRO D 1 291 ? -17.724 11.034 -26.084 1.00 22.77 ? 290 PRO D O 1 ATOM 11830 C CB . PRO D 1 291 ? -19.340 13.908 -26.386 1.00 26.97 ? 290 PRO D CB 1 ATOM 11831 C CG . PRO D 1 291 ? -20.243 13.068 -27.217 1.00 27.83 ? 290 PRO D CG 1 ATOM 11832 C CD . PRO D 1 291 ? -19.467 12.669 -28.439 1.00 28.76 ? 290 PRO D CD 1 ATOM 11833 N N . PRO D 1 292 ? -17.191 12.508 -24.484 1.00 22.56 ? 291 PRO D N 1 ATOM 11834 C CA . PRO D 1 292 ? -16.821 11.426 -23.584 1.00 21.88 ? 291 PRO D CA 1 ATOM 11835 C C . PRO D 1 292 ? -18.010 10.599 -23.082 1.00 21.81 ? 291 PRO D C 1 ATOM 11836 O O . PRO D 1 292 ? -17.824 9.471 -22.698 1.00 21.43 ? 291 PRO D O 1 ATOM 11837 C CB . PRO D 1 292 ? -16.137 12.155 -22.432 1.00 22.23 ? 291 PRO D CB 1 ATOM 11838 C CG . PRO D 1 292 ? -16.708 13.539 -22.475 1.00 23.16 ? 291 PRO D CG 1 ATOM 11839 C CD . PRO D 1 292 ? -16.850 13.831 -23.938 1.00 22.78 ? 291 PRO D CD 1 ATOM 11840 N N . GLY D 1 293 ? -19.218 11.167 -23.092 1.00 21.67 ? 292 GLY D N 1 ATOM 11841 C CA . GLY D 1 293 ? -20.406 10.427 -22.676 1.00 21.76 ? 292 GLY D CA 1 ATOM 11842 C C . GLY D 1 293 ? -20.594 10.323 -21.169 1.00 21.27 ? 292 GLY D C 1 ATOM 11843 O O . GLY D 1 293 ? -21.222 9.368 -20.675 1.00 21.88 ? 292 GLY D O 1 ATOM 11844 N N . VAL D 1 294 ? -20.019 11.280 -20.439 1.00 20.05 ? 293 VAL D N 1 ATOM 11845 C CA . VAL D 1 294 ? -20.137 11.363 -18.988 1.00 20.11 ? 293 VAL D CA 1 ATOM 11846 C C . VAL D 1 294 ? -20.299 12.833 -18.600 1.00 20.12 ? 293 VAL D C 1 ATOM 11847 O O . VAL D 1 294 ? -19.989 13.723 -19.387 1.00 19.42 ? 293 VAL D O 1 ATOM 11848 C CB . VAL D 1 294 ? -18.899 10.783 -18.253 1.00 19.28 ? 293 VAL D CB 1 ATOM 11849 C CG1 . VAL D 1 294 ? -18.656 9.337 -18.651 1.00 19.30 ? 293 VAL D CG1 1 ATOM 11850 C CG2 . VAL D 1 294 ? -17.664 11.620 -18.478 1.00 18.61 ? 293 VAL D CG2 1 ATOM 11851 N N . GLN D 1 295 ? -20.745 13.075 -17.383 1.00 20.61 ? 294 GLN D N 1 ATOM 11852 C CA . GLN D 1 295 ? -20.836 14.448 -16.854 1.00 22.42 ? 294 GLN D CA 1 ATOM 11853 C C . GLN D 1 295 ? -19.440 15.046 -16.863 1.00 21.20 ? 294 GLN D C 1 ATOM 11854 O O . GLN D 1 295 ? -18.524 14.441 -16.326 1.00 20.02 ? 294 GLN D O 1 ATOM 11855 C CB . GLN D 1 295 ? -21.367 14.459 -15.438 1.00 24.72 ? 294 GLN D CB 1 ATOM 11856 C CG . GLN D 1 295 ? -21.506 15.875 -14.893 1.00 27.56 ? 294 GLN D CG 1 ATOM 11857 C CD . GLN D 1 295 ? -21.983 15.897 -13.466 1.00 30.46 ? 294 GLN D CD 1 ATOM 11858 O OE1 . GLN D 1 295 ? -21.208 16.105 -12.533 1.00 31.32 ? 294 GLN D OE1 1 ATOM 11859 N NE2 . GLN D 1 295 ? -23.255 15.622 -13.287 1.00 31.99 ? 294 GLN D NE2 1 ATOM 11860 N N . LEU D 1 296 ? -19.296 16.195 -17.511 1.00 21.26 ? 295 LEU D N 1 ATOM 11861 C CA . LEU D 1 296 ? -17.990 16.788 -17.766 1.00 20.72 ? 295 LEU D CA 1 ATOM 11862 C C . LEU D 1 296 ? -17.930 18.203 -17.210 1.00 21.11 ? 295 LEU D C 1 ATOM 11863 O O . LEU D 1 296 ? -18.835 19.007 -17.455 1.00 22.21 ? 295 LEU D O 1 ATOM 11864 C CB . LEU D 1 296 ? -17.730 16.777 -19.273 1.00 21.53 ? 295 LEU D CB 1 ATOM 11865 C CG . LEU D 1 296 ? -16.469 17.472 -19.762 1.00 21.95 ? 295 LEU D CG 1 ATOM 11866 C CD1 . LEU D 1 296 ? -15.236 16.712 -19.319 1.00 21.46 ? 295 LEU D CD1 1 ATOM 11867 C CD2 . LEU D 1 296 ? -16.523 17.578 -21.273 1.00 23.26 ? 295 LEU D CD2 1 ATOM 11868 N N . HIS D 1 297 ? -16.873 18.500 -16.463 1.00 20.36 ? 296 HIS D N 1 ATOM 11869 C CA . HIS D 1 297 ? -16.579 19.848 -15.975 1.00 20.99 ? 296 HIS D CA 1 ATOM 11870 C C . HIS D 1 297 ? -15.280 20.274 -16.658 1.00 21.41 ? 296 HIS D C 1 ATOM 11871 O O . HIS D 1 297 ? -14.222 19.727 -16.358 1.00 19.84 ? 296 HIS D O 1 ATOM 11872 C CB . HIS D 1 297 ? -16.408 19.845 -14.452 1.00 21.28 ? 296 HIS D CB 1 ATOM 11873 C CG . HIS D 1 297 ? -17.605 19.336 -13.715 1.00 22.34 ? 296 HIS D CG 1 ATOM 11874 N ND1 . HIS D 1 297 ? -18.518 20.171 -13.122 1.00 24.12 ? 296 HIS D ND1 1 ATOM 11875 C CD2 . HIS D 1 297 ? -18.049 18.071 -13.489 1.00 22.48 ? 296 HIS D CD2 1 ATOM 11876 C CE1 . HIS D 1 297 ? -19.473 19.451 -12.557 1.00 24.51 ? 296 HIS D CE1 1 ATOM 11877 N NE2 . HIS D 1 297 ? -19.199 18.174 -12.752 1.00 23.19 ? 296 HIS D NE2 1 ATOM 11878 N N . CYS D 1 298 ? -15.392 21.233 -17.566 1.00 21.42 ? 297 CYS D N 1 ATOM 11879 C CA A CYS D 1 298 ? -14.262 21.698 -18.362 0.50 22.26 ? 297 CYS D CA 1 ATOM 11880 C CA B CYS D 1 298 ? -14.280 21.692 -18.382 0.50 22.47 ? 297 CYS D CA 1 ATOM 11881 C C . CYS D 1 298 ? -13.710 22.982 -17.801 1.00 21.91 ? 297 CYS D C 1 ATOM 11882 O O . CYS D 1 298 ? -14.320 24.042 -17.943 1.00 21.42 ? 297 CYS D O 1 ATOM 11883 C CB A CYS D 1 298 ? -14.712 21.945 -19.794 0.50 24.15 ? 297 CYS D CB 1 ATOM 11884 C CB B CYS D 1 298 ? -14.803 21.932 -19.798 0.50 24.65 ? 297 CYS D CB 1 ATOM 11885 S SG A CYS D 1 298 ? -14.876 20.412 -20.695 0.50 27.86 ? 297 CYS D SG 1 ATOM 11886 S SG B CYS D 1 298 ? -13.615 22.619 -20.953 0.50 29.12 ? 297 CYS D SG 1 ATOM 11887 N N . LEU D 1 299 ? -12.566 22.885 -17.137 1.00 20.36 ? 298 LEU D N 1 ATOM 11888 C CA . LEU D 1 299 ? -11.943 24.032 -16.516 1.00 20.43 ? 298 LEU D CA 1 ATOM 11889 C C . LEU D 1 299 ? -10.759 24.479 -17.376 1.00 20.01 ? 298 LEU D C 1 ATOM 11890 O O . LEU D 1 299 ? -9.853 23.694 -17.647 1.00 18.14 ? 298 LEU D O 1 ATOM 11891 C CB . LEU D 1 299 ? -11.505 23.695 -15.088 1.00 20.39 ? 298 LEU D CB 1 ATOM 11892 C CG . LEU D 1 299 ? -12.592 23.819 -13.993 1.00 22.30 ? 298 LEU D CG 1 ATOM 11893 C CD1 . LEU D 1 299 ? -13.733 22.852 -14.238 1.00 22.73 ? 298 LEU D CD1 1 ATOM 11894 C CD2 . LEU D 1 299 ? -12.010 23.591 -12.613 1.00 22.27 ? 298 LEU D CD2 1 ATOM 11895 N N . TYR D 1 300 ? -10.755 25.741 -17.782 1.00 20.90 ? 299 TYR D N 1 ATOM 11896 C CA . TYR D 1 300 ? -9.740 26.237 -18.723 1.00 21.43 ? 299 TYR D CA 1 ATOM 11897 C C . TYR D 1 300 ? -9.268 27.630 -18.312 1.00 21.87 ? 299 TYR D C 1 ATOM 11898 O O . TYR D 1 300 ? -10.076 28.470 -17.906 1.00 21.85 ? 299 TYR D O 1 ATOM 11899 C CB . TYR D 1 300 ? -10.273 26.222 -20.166 1.00 22.09 ? 299 TYR D CB 1 ATOM 11900 C CG . TYR D 1 300 ? -11.486 27.088 -20.391 1.00 24.33 ? 299 TYR D CG 1 ATOM 11901 C CD1 . TYR D 1 300 ? -12.769 26.617 -20.116 1.00 25.41 ? 299 TYR D CD1 1 ATOM 11902 C CD2 . TYR D 1 300 ? -11.352 28.380 -20.879 1.00 25.17 ? 299 TYR D CD2 1 ATOM 11903 C CE1 . TYR D 1 300 ? -13.878 27.420 -20.314 1.00 27.00 ? 299 TYR D CE1 1 ATOM 11904 C CE2 . TYR D 1 300 ? -12.451 29.192 -21.073 1.00 26.90 ? 299 TYR D CE2 1 ATOM 11905 C CZ . TYR D 1 300 ? -13.711 28.707 -20.786 1.00 28.21 ? 299 TYR D CZ 1 ATOM 11906 O OH . TYR D 1 300 ? -14.805 29.516 -20.987 1.00 30.35 ? 299 TYR D OH 1 ATOM 11907 N N . GLY D 1 301 ? -7.959 27.852 -18.370 1.00 20.86 ? 300 GLY D N 1 ATOM 11908 C CA . GLY D 1 301 ? -7.399 29.146 -18.039 1.00 21.54 ? 300 GLY D CA 1 ATOM 11909 C C . GLY D 1 301 ? -7.428 30.126 -19.206 1.00 22.42 ? 300 GLY D C 1 ATOM 11910 O O . GLY D 1 301 ? -7.293 29.735 -20.377 1.00 22.96 ? 300 GLY D O 1 ATOM 11911 N N . THR D 1 302 ? -7.582 31.407 -18.876 1.00 22.57 ? 301 THR D N 1 ATOM 11912 C CA . THR D 1 302 ? -7.518 32.495 -19.848 1.00 23.60 ? 301 THR D CA 1 ATOM 11913 C C . THR D 1 302 ? -6.674 33.617 -19.287 1.00 23.69 ? 301 THR D C 1 ATOM 11914 O O . THR D 1 302 ? -6.285 33.592 -18.112 1.00 23.04 ? 301 THR D O 1 ATOM 11915 C CB . THR D 1 302 ? -8.899 33.061 -20.191 1.00 24.75 ? 301 THR D CB 1 ATOM 11916 O OG1 . THR D 1 302 ? -9.517 33.593 -19.007 1.00 25.35 ? 301 THR D OG1 1 ATOM 11917 C CG2 . THR D 1 302 ? -9.781 31.989 -20.775 1.00 25.61 ? 301 THR D CG2 1 ATOM 11918 N N . GLY D 1 303 ? -6.375 34.589 -20.141 1.00 24.80 ? 302 GLY D N 1 ATOM 11919 C CA . GLY D 1 303 ? -5.677 35.803 -19.718 1.00 24.89 ? 302 GLY D CA 1 ATOM 11920 C C . GLY D 1 303 ? -4.178 35.638 -19.570 1.00 25.48 ? 302 GLY D C 1 ATOM 11921 O O . GLY D 1 303 ? -3.521 36.519 -19.025 1.00 27.84 ? 302 GLY D O 1 ATOM 11922 N N . VAL D 1 304 ? -3.619 34.527 -20.042 1.00 23.12 ? 303 VAL D N 1 ATOM 11923 C CA . VAL D 1 304 ? -2.174 34.289 -19.973 1.00 22.88 ? 303 VAL D CA 1 ATOM 11924 C C . VAL D 1 304 ? -1.644 34.220 -21.435 1.00 21.91 ? 303 VAL D C 1 ATOM 11925 O O . VAL D 1 304 ? -2.147 33.422 -22.207 1.00 21.72 ? 303 VAL D O 1 ATOM 11926 C CB . VAL D 1 304 ? -1.867 32.971 -19.244 1.00 22.68 ? 303 VAL D CB 1 ATOM 11927 C CG1 . VAL D 1 304 ? -0.369 32.764 -19.129 1.00 23.01 ? 303 VAL D CG1 1 ATOM 11928 C CG2 . VAL D 1 304 ? -2.531 32.925 -17.867 1.00 23.59 ? 303 VAL D CG2 1 ATOM 11929 N N . PRO D 1 305 ? -0.637 35.043 -21.815 1.00 21.92 ? 304 PRO D N 1 ATOM 11930 C CA . PRO D 1 305 ? -0.122 34.945 -23.174 1.00 21.61 ? 304 PRO D CA 1 ATOM 11931 C C . PRO D 1 305 ? 0.326 33.509 -23.498 1.00 20.14 ? 304 PRO D C 1 ATOM 11932 O O . PRO D 1 305 ? 1.090 32.916 -22.746 1.00 19.78 ? 304 PRO D O 1 ATOM 11933 C CB . PRO D 1 305 ? 1.045 35.927 -23.188 1.00 23.01 ? 304 PRO D CB 1 ATOM 11934 C CG . PRO D 1 305 ? 0.711 36.895 -22.081 1.00 24.71 ? 304 PRO D CG 1 ATOM 11935 C CD . PRO D 1 305 ? 0.127 36.018 -21.021 1.00 23.38 ? 304 PRO D CD 1 ATOM 11936 N N . THR D 1 306 ? -0.205 32.965 -24.587 1.00 18.61 ? 305 THR D N 1 ATOM 11937 C CA . THR D 1 306 ? 0.018 31.573 -24.967 1.00 17.82 ? 305 THR D CA 1 ATOM 11938 C C . THR D 1 306 ? 0.552 31.502 -26.395 1.00 18.18 ? 305 THR D C 1 ATOM 11939 O O . THR D 1 306 ? -0.053 32.078 -27.300 1.00 17.58 ? 305 THR D O 1 ATOM 11940 C CB . THR D 1 306 ? -1.318 30.817 -24.878 1.00 17.13 ? 305 THR D CB 1 ATOM 11941 O OG1 . THR D 1 306 ? -1.888 31.034 -23.583 1.00 16.86 ? 305 THR D OG1 1 ATOM 11942 C CG2 . THR D 1 306 ? -1.100 29.338 -25.138 1.00 16.66 ? 305 THR D CG2 1 ATOM 11943 N N . PRO D 1 307 ? 1.689 30.793 -26.616 1.00 19.72 ? 306 PRO D N 1 ATOM 11944 C CA . PRO D 1 307 ? 2.257 30.744 -27.971 1.00 20.00 ? 306 PRO D CA 1 ATOM 11945 C C . PRO D 1 307 ? 1.259 30.239 -28.980 1.00 19.99 ? 306 PRO D C 1 ATOM 11946 O O . PRO D 1 307 ? 0.605 29.218 -28.730 1.00 18.66 ? 306 PRO D O 1 ATOM 11947 C CB . PRO D 1 307 ? 3.432 29.784 -27.828 1.00 19.98 ? 306 PRO D CB 1 ATOM 11948 C CG . PRO D 1 307 ? 3.839 29.930 -26.392 1.00 21.15 ? 306 PRO D CG 1 ATOM 11949 C CD . PRO D 1 307 ? 2.530 30.058 -25.659 1.00 19.99 ? 306 PRO D CD 1 ATOM 11950 N N . ASP D 1 308 ? 1.117 30.985 -30.075 1.00 20.17 ? 307 ASP D N 1 ATOM 11951 C CA . ASP D 1 308 ? 0.154 30.720 -31.138 1.00 22.07 ? 307 ASP D CA 1 ATOM 11952 C C . ASP D 1 308 ? 0.846 30.380 -32.486 1.00 21.28 ? 307 ASP D C 1 ATOM 11953 O O . ASP D 1 308 ? 0.323 29.595 -33.264 1.00 20.95 ? 307 ASP D O 1 ATOM 11954 C CB . ASP D 1 308 ? -0.749 31.953 -31.289 1.00 24.37 ? 307 ASP D CB 1 ATOM 11955 C CG . ASP D 1 308 ? -1.544 31.953 -32.585 1.00 27.36 ? 307 ASP D CG 1 ATOM 11956 O OD1 . ASP D 1 308 ? -2.666 31.423 -32.576 1.00 29.22 ? 307 ASP D OD1 1 ATOM 11957 O OD2 . ASP D 1 308 ? -1.068 32.529 -33.592 1.00 28.37 ? 307 ASP D OD2 1 ATOM 11958 N N . SER D 1 309 ? 1.979 31.016 -32.776 1.00 20.35 ? 308 SER D N 1 ATOM 11959 C CA . SER D 1 309 ? 2.695 30.816 -34.035 1.00 20.58 ? 308 SER D CA 1 ATOM 11960 C C . SER D 1 309 ? 4.115 31.337 -33.883 1.00 20.06 ? 308 SER D C 1 ATOM 11961 O O . SER D 1 309 ? 4.398 32.074 -32.931 1.00 20.04 ? 308 SER D O 1 ATOM 11962 C CB . SER D 1 309 ? 1.984 31.476 -35.220 1.00 21.72 ? 308 SER D CB 1 ATOM 11963 O OG . SER D 1 309 ? 1.703 32.814 -34.936 1.00 23.51 ? 308 SER D OG 1 ATOM 11964 N N . PHE D 1 310 ? 4.981 30.936 -34.811 1.00 18.91 ? 309 PHE D N 1 ATOM 11965 C CA . PHE D 1 310 ? 6.418 31.156 -34.705 1.00 19.04 ? 309 PHE D CA 1 ATOM 11966 C C . PHE D 1 310 ? 6.992 31.665 -36.015 1.00 20.08 ? 309 PHE D C 1 ATOM 11967 O O . PHE D 1 310 ? 6.602 31.197 -37.099 1.00 20.13 ? 309 PHE D O 1 ATOM 11968 C CB . PHE D 1 310 ? 7.082 29.846 -34.323 1.00 18.45 ? 309 PHE D CB 1 ATOM 11969 C CG . PHE D 1 310 ? 6.480 29.223 -33.087 1.00 18.55 ? 309 PHE D CG 1 ATOM 11970 C CD1 . PHE D 1 310 ? 6.835 29.684 -31.838 1.00 19.49 ? 309 PHE D CD1 1 ATOM 11971 C CD2 . PHE D 1 310 ? 5.483 28.270 -33.178 1.00 18.45 ? 309 PHE D CD2 1 ATOM 11972 C CE1 . PHE D 1 310 ? 6.250 29.168 -30.680 1.00 19.20 ? 309 PHE D CE1 1 ATOM 11973 C CE2 . PHE D 1 310 ? 4.901 27.741 -32.032 1.00 18.10 ? 309 PHE D CE2 1 ATOM 11974 C CZ . PHE D 1 310 ? 5.279 28.192 -30.779 1.00 18.38 ? 309 PHE D CZ 1 ATOM 11975 N N . TYR D 1 311 ? 7.910 32.611 -35.918 1.00 21.45 ? 310 TYR D N 1 ATOM 11976 C CA . TYR D 1 311 ? 8.604 33.154 -37.084 1.00 23.81 ? 310 TYR D CA 1 ATOM 11977 C C . TYR D 1 311 ? 10.093 32.884 -36.955 1.00 23.19 ? 310 TYR D C 1 ATOM 11978 O O . TYR D 1 311 ? 10.715 33.336 -35.999 1.00 23.16 ? 310 TYR D O 1 ATOM 11979 C CB . TYR D 1 311 ? 8.395 34.684 -37.224 1.00 27.62 ? 310 TYR D CB 1 ATOM 11980 C CG . TYR D 1 311 ? 9.159 35.183 -38.450 1.00 33.63 ? 310 TYR D CG 1 ATOM 11981 C CD1 . TYR D 1 311 ? 8.685 34.925 -39.731 1.00 37.09 ? 310 TYR D CD1 1 ATOM 11982 C CD2 . TYR D 1 311 ? 10.403 35.824 -38.331 1.00 38.82 ? 310 TYR D CD2 1 ATOM 11983 C CE1 . TYR D 1 311 ? 9.394 35.311 -40.862 1.00 41.05 ? 310 TYR D CE1 1 ATOM 11984 C CE2 . TYR D 1 311 ? 11.123 36.220 -39.462 1.00 42.12 ? 310 TYR D CE2 1 ATOM 11985 C CZ . TYR D 1 311 ? 10.615 35.966 -40.721 1.00 43.59 ? 310 TYR D CZ 1 ATOM 11986 O OH . TYR D 1 311 ? 11.338 36.348 -41.837 1.00 50.24 ? 310 TYR D OH 1 ATOM 11987 N N . TYR D 1 312 ? 10.639 32.135 -37.903 1.00 23.21 ? 311 TYR D N 1 ATOM 11988 C CA . TYR D 1 312 ? 12.035 31.742 -37.881 1.00 24.31 ? 311 TYR D CA 1 ATOM 11989 C C . TYR D 1 312 ? 12.821 32.527 -38.913 1.00 27.94 ? 311 TYR D C 1 ATOM 11990 O O . TYR D 1 312 ? 12.530 32.425 -40.092 1.00 27.89 ? 311 TYR D O 1 ATOM 11991 C CB . TYR D 1 312 ? 12.175 30.243 -38.186 1.00 22.91 ? 311 TYR D CB 1 ATOM 11992 C CG . TYR D 1 312 ? 11.809 29.330 -37.055 1.00 21.78 ? 311 TYR D CG 1 ATOM 11993 C CD1 . TYR D 1 312 ? 10.486 28.917 -36.850 1.00 20.54 ? 311 TYR D CD1 1 ATOM 11994 C CD2 . TYR D 1 312 ? 12.792 28.791 -36.228 1.00 21.91 ? 311 TYR D CD2 1 ATOM 11995 C CE1 . TYR D 1 312 ? 10.154 28.046 -35.830 1.00 19.77 ? 311 TYR D CE1 1 ATOM 11996 C CE2 . TYR D 1 312 ? 12.463 27.929 -35.206 1.00 20.62 ? 311 TYR D CE2 1 ATOM 11997 C CZ . TYR D 1 312 ? 11.141 27.564 -35.008 1.00 19.99 ? 311 TYR D CZ 1 ATOM 11998 O OH . TYR D 1 312 ? 10.806 26.729 -33.984 1.00 19.58 ? 311 TYR D OH 1 ATOM 11999 N N . GLU D 1 313 ? 13.810 33.289 -38.468 1.00 31.89 ? 312 GLU D N 1 ATOM 12000 C CA . GLU D 1 313 ? 14.731 33.956 -39.385 1.00 37.09 ? 312 GLU D CA 1 ATOM 12001 C C . GLU D 1 313 ? 15.750 32.959 -39.919 1.00 36.37 ? 312 GLU D C 1 ATOM 12002 O O . GLU D 1 313 ? 16.217 33.094 -41.036 1.00 37.27 ? 312 GLU D O 1 ATOM 12003 C CB . GLU D 1 313 ? 15.427 35.120 -38.695 1.00 43.66 ? 312 GLU D CB 1 ATOM 12004 C CG . GLU D 1 313 ? 14.424 36.198 -38.298 1.00 52.41 ? 312 GLU D CG 1 ATOM 12005 C CD . GLU D 1 313 ? 14.986 37.257 -37.361 1.00 61.94 ? 312 GLU D CD 1 ATOM 12006 O OE1 . GLU D 1 313 ? 16.237 37.448 -37.339 1.00 63.32 ? 312 GLU D OE1 1 ATOM 12007 O OE2 . GLU D 1 313 ? 14.148 37.898 -36.663 1.00 70.53 ? 312 GLU D OE2 1 ATOM 12008 N N . SER D 1 314 ? 16.063 31.947 -39.118 1.00 33.50 ? 313 SER D N 1 ATOM 12009 C CA . SER D 1 314 ? 16.891 30.826 -39.528 1.00 32.30 ? 313 SER D CA 1 ATOM 12010 C C . SER D 1 314 ? 16.251 29.522 -38.989 1.00 29.54 ? 313 SER D C 1 ATOM 12011 O O . SER D 1 314 ? 16.153 29.338 -37.791 1.00 28.98 ? 313 SER D O 1 ATOM 12012 C CB . SER D 1 314 ? 18.291 31.010 -38.960 1.00 34.41 ? 313 SER D CB 1 ATOM 12013 O OG . SER D 1 314 ? 19.068 29.849 -39.184 1.00 36.69 ? 313 SER D OG 1 ATOM 12014 N N . PHE D 1 315 ? 15.855 28.626 -39.886 1.00 28.50 ? 314 PHE D N 1 ATOM 12015 C CA . PHE D 1 315 ? 15.044 27.445 -39.550 1.00 26.34 ? 314 PHE D CA 1 ATOM 12016 C C . PHE D 1 315 ? 15.816 26.191 -39.920 1.00 26.78 ? 314 PHE D C 1 ATOM 12017 O O . PHE D 1 315 ? 16.363 26.154 -41.017 1.00 27.78 ? 314 PHE D O 1 ATOM 12018 C CB . PHE D 1 315 ? 13.766 27.508 -40.371 1.00 25.06 ? 314 PHE D CB 1 ATOM 12019 C CG . PHE D 1 315 ? 12.815 26.342 -40.164 1.00 23.50 ? 314 PHE D CG 1 ATOM 12020 C CD1 . PHE D 1 315 ? 11.963 26.316 -39.068 1.00 22.38 ? 314 PHE D CD1 1 ATOM 12021 C CD2 . PHE D 1 315 ? 12.708 25.325 -41.113 1.00 23.05 ? 314 PHE D CD2 1 ATOM 12022 C CE1 . PHE D 1 315 ? 11.070 25.283 -38.894 1.00 21.44 ? 314 PHE D CE1 1 ATOM 12023 C CE2 . PHE D 1 315 ? 11.812 24.278 -40.944 1.00 22.30 ? 314 PHE D CE2 1 ATOM 12024 C CZ . PHE D 1 315 ? 10.980 24.272 -39.841 1.00 21.51 ? 314 PHE D CZ 1 ATOM 12025 N N . PRO D 1 316 ? 15.846 25.149 -39.086 1.00 25.97 ? 315 PRO D N 1 ATOM 12026 C CA . PRO D 1 316 ? 15.136 25.052 -37.804 1.00 25.77 ? 315 PRO D CA 1 ATOM 12027 C C . PRO D 1 316 ? 16.060 25.177 -36.582 1.00 27.24 ? 315 PRO D C 1 ATOM 12028 O O . PRO D 1 316 ? 15.604 24.924 -35.477 1.00 27.68 ? 315 PRO D O 1 ATOM 12029 C CB . PRO D 1 316 ? 14.608 23.627 -37.849 1.00 24.83 ? 315 PRO D CB 1 ATOM 12030 C CG . PRO D 1 316 ? 15.721 22.864 -38.521 1.00 25.12 ? 315 PRO D CG 1 ATOM 12031 C CD . PRO D 1 316 ? 16.309 23.819 -39.540 1.00 26.69 ? 315 PRO D CD 1 ATOM 12032 N N . ASP D 1 317 ? 17.314 25.584 -36.758 1.00 28.54 ? 316 ASP D N 1 ATOM 12033 C CA . ASP D 1 317 ? 18.298 25.471 -35.678 1.00 31.36 ? 316 ASP D CA 1 ATOM 12034 C C . ASP D 1 317 ? 18.545 26.731 -34.840 1.00 32.53 ? 316 ASP D C 1 ATOM 12035 O O . ASP D 1 317 ? 19.543 26.812 -34.113 1.00 34.22 ? 316 ASP D O 1 ATOM 12036 C CB . ASP D 1 317 ? 19.637 24.947 -36.226 1.00 34.15 ? 316 ASP D CB 1 ATOM 12037 C CG . ASP D 1 317 ? 19.577 23.482 -36.659 1.00 36.05 ? 316 ASP D CG 1 ATOM 12038 O OD1 . ASP D 1 317 ? 18.699 22.710 -36.199 1.00 32.18 ? 316 ASP D OD1 1 ATOM 12039 O OD2 . ASP D 1 317 ? 20.447 23.098 -37.469 1.00 40.00 ? 316 ASP D OD2 1 ATOM 12040 N N . ARG D 1 318 ? 17.668 27.715 -34.955 1.00 32.23 ? 317 ARG D N 1 ATOM 12041 C CA . ARG D 1 318 ? 17.704 28.915 -34.124 1.00 33.00 ? 317 ARG D CA 1 ATOM 12042 C C . ARG D 1 318 ? 16.325 29.180 -33.538 1.00 30.25 ? 317 ARG D C 1 ATOM 12043 O O . ARG D 1 318 ? 15.327 28.868 -34.168 1.00 28.61 ? 317 ARG D O 1 ATOM 12044 C CB . ARG D 1 318 ? 18.141 30.090 -34.980 1.00 37.67 ? 317 ARG D CB 1 ATOM 12045 C CG . ARG D 1 318 ? 19.642 30.018 -35.292 1.00 44.06 ? 317 ARG D CG 1 ATOM 12046 C CD . ARG D 1 318 ? 20.521 30.565 -34.143 1.00 50.68 ? 317 ARG D CD 1 ATOM 12047 N NE . ARG D 1 318 ? 21.838 31.013 -34.603 1.00 58.24 ? 317 ARG D NE 1 ATOM 12048 C CZ . ARG D 1 318 ? 22.051 32.061 -35.400 1.00 65.53 ? 317 ARG D CZ 1 ATOM 12049 N NH1 . ARG D 1 318 ? 21.037 32.790 -35.877 1.00 68.21 ? 317 ARG D NH1 1 ATOM 12050 N NH2 . ARG D 1 318 ? 23.296 32.377 -35.741 1.00 68.23 ? 317 ARG D NH2 1 ATOM 12051 N N . ASP D 1 319 ? 16.269 29.767 -32.350 1.00 28.73 ? 318 ASP D N 1 ATOM 12052 C CA . ASP D 1 319 ? 14.989 30.048 -31.700 1.00 28.07 ? 318 ASP D CA 1 ATOM 12053 C C . ASP D 1 319 ? 14.151 31.045 -32.520 1.00 26.65 ? 318 ASP D C 1 ATOM 12054 O O . ASP D 1 319 ? 14.680 31.986 -33.095 1.00 26.50 ? 318 ASP D O 1 ATOM 12055 C CB . ASP D 1 319 ? 15.185 30.592 -30.289 1.00 30.09 ? 318 ASP D CB 1 ATOM 12056 C CG . ASP D 1 319 ? 15.700 29.544 -29.303 1.00 32.62 ? 318 ASP D CG 1 ATOM 12057 O OD1 . ASP D 1 319 ? 15.474 28.315 -29.484 1.00 31.73 ? 318 ASP D OD1 1 ATOM 12058 O OD2 . ASP D 1 319 ? 16.347 29.978 -28.318 1.00 35.36 ? 318 ASP D OD2 1 ATOM 12059 N N . PRO D 1 320 ? 12.826 30.858 -32.546 1.00 23.43 ? 319 PRO D N 1 ATOM 12060 C CA . PRO D 1 320 ? 11.978 31.764 -33.309 1.00 23.28 ? 319 PRO D CA 1 ATOM 12061 C C . PRO D 1 320 ? 11.486 32.952 -32.502 1.00 24.53 ? 319 PRO D C 1 ATOM 12062 O O . PRO D 1 320 ? 11.571 32.948 -31.278 1.00 23.25 ? 319 PRO D O 1 ATOM 12063 C CB . PRO D 1 320 ? 10.779 30.876 -33.651 1.00 22.65 ? 319 PRO D CB 1 ATOM 12064 C CG . PRO D 1 320 ? 10.666 29.982 -32.459 1.00 21.80 ? 319 PRO D CG 1 ATOM 12065 C CD . PRO D 1 320 ? 12.077 29.700 -32.042 1.00 22.13 ? 319 PRO D CD 1 ATOM 12066 N N . LYS D 1 321 ? 10.951 33.949 -33.200 1.00 25.47 ? 320 LYS D N 1 ATOM 12067 C CA . LYS D 1 321 ? 10.106 34.952 -32.574 1.00 27.48 ? 320 LYS D CA 1 ATOM 12068 C C . LYS D 1 321 ? 8.745 34.312 -32.339 1.00 23.98 ? 320 LYS D C 1 ATOM 12069 O O . LYS D 1 321 ? 8.290 33.537 -33.160 1.00 22.61 ? 320 LYS D O 1 ATOM 12070 C CB . LYS D 1 321 ? 9.932 36.174 -33.483 1.00 31.30 ? 320 LYS D CB 1 ATOM 12071 C CG . LYS D 1 321 ? 11.227 36.747 -34.041 1.00 38.95 ? 320 LYS D CG 1 ATOM 12072 C CD . LYS D 1 321 ? 12.275 36.999 -32.954 1.00 44.50 ? 320 LYS D CD 1 ATOM 12073 C CE . LYS D 1 321 ? 13.601 37.624 -33.425 1.00 50.11 ? 320 LYS D CE 1 ATOM 12074 N NZ . LYS D 1 321 ? 13.448 39.037 -33.879 1.00 52.91 ? 320 LYS D NZ 1 ATOM 12075 N N . ILE D 1 322 ? 8.071 34.705 -31.272 1.00 22.72 ? 321 ILE D N 1 ATOM 12076 C CA . ILE D 1 322 ? 6.804 34.092 -30.916 1.00 21.57 ? 321 ILE D CA 1 ATOM 12077 C C . ILE D 1 322 ? 5.657 35.092 -30.992 1.00 21.94 ? 321 ILE D C 1 ATOM 12078 O O . ILE D 1 322 ? 5.762 36.246 -30.536 1.00 20.90 ? 321 ILE D O 1 ATOM 12079 C CB . ILE D 1 322 ? 6.877 33.495 -29.504 1.00 21.87 ? 321 ILE D CB 1 ATOM 12080 C CG1 . ILE D 1 322 ? 8.033 32.491 -29.445 1.00 22.51 ? 321 ILE D CG1 1 ATOM 12081 C CG2 . ILE D 1 322 ? 5.565 32.827 -29.153 1.00 21.50 ? 321 ILE D CG2 1 ATOM 12082 C CD1 . ILE D 1 322 ? 8.248 31.883 -28.082 1.00 23.87 ? 321 ILE D CD1 1 ATOM 12083 N N . CYS D 1 323 ? 4.559 34.638 -31.601 1.00 21.57 ? 322 CYS D N 1 ATOM 12084 C CA A CYS D 1 323 ? 3.317 35.365 -31.601 0.50 21.71 ? 322 CYS D CA 1 ATOM 12085 C CA B CYS D 1 323 ? 3.296 35.378 -31.599 0.50 22.72 ? 322 CYS D CA 1 ATOM 12086 C C . CYS D 1 323 ? 2.382 34.697 -30.574 1.00 20.95 ? 322 CYS D C 1 ATOM 12087 O O . CYS D 1 323 ? 2.234 33.479 -30.569 1.00 19.83 ? 322 CYS D O 1 ATOM 12088 C CB A CYS D 1 323 ? 2.741 35.299 -33.003 0.50 22.27 ? 322 CYS D CB 1 ATOM 12089 C CB B CYS D 1 323 ? 2.642 35.401 -32.995 0.50 24.51 ? 322 CYS D CB 1 ATOM 12090 S SG A CYS D 1 323 ? 1.419 36.429 -33.247 0.50 23.73 ? 322 CYS D SG 1 ATOM 12091 S SG B CYS D 1 323 ? 3.192 36.761 -34.071 0.50 29.92 ? 322 CYS D SG 1 ATOM 12092 N N . PHE D 1 324 ? 1.763 35.493 -29.712 1.00 20.26 ? 323 PHE D N 1 ATOM 12093 C CA . PHE D 1 324 ? 0.974 34.973 -28.595 1.00 18.77 ? 323 PHE D CA 1 ATOM 12094 C C . PHE D 1 324 ? -0.510 35.258 -28.759 1.00 18.94 ? 323 PHE D C 1 ATOM 12095 O O . PHE D 1 324 ? -0.907 36.353 -29.187 1.00 18.69 ? 323 PHE D O 1 ATOM 12096 C CB . PHE D 1 324 ? 1.423 35.612 -27.272 1.00 19.41 ? 323 PHE D CB 1 ATOM 12097 C CG . PHE D 1 324 ? 2.802 35.213 -26.836 1.00 18.66 ? 323 PHE D CG 1 ATOM 12098 C CD1 . PHE D 1 324 ? 3.902 35.925 -27.262 1.00 19.42 ? 323 PHE D CD1 1 ATOM 12099 C CD2 . PHE D 1 324 ? 2.991 34.131 -25.985 1.00 18.78 ? 323 PHE D CD2 1 ATOM 12100 C CE1 . PHE D 1 324 ? 5.181 35.564 -26.866 1.00 19.46 ? 323 PHE D CE1 1 ATOM 12101 C CE2 . PHE D 1 324 ? 4.272 33.752 -25.590 1.00 18.97 ? 323 PHE D CE2 1 ATOM 12102 C CZ . PHE D 1 324 ? 5.370 34.481 -26.031 1.00 18.88 ? 323 PHE D CZ 1 ATOM 12103 N N . GLY D 1 325 ? -1.317 34.292 -28.364 1.00 18.43 ? 324 GLY D N 1 ATOM 12104 C CA . GLY D 1 325 ? -2.771 34.471 -28.245 1.00 19.86 ? 324 GLY D CA 1 ATOM 12105 C C . GLY D 1 325 ? -3.228 34.203 -26.820 1.00 20.53 ? 324 GLY D C 1 ATOM 12106 O O . GLY D 1 325 ? -2.429 34.205 -25.897 1.00 20.93 ? 324 GLY D O 1 ATOM 12107 N N . ASP D 1 326 ? -4.523 33.967 -26.640 1.00 20.79 ? 325 ASP D N 1 ATOM 12108 C CA . ASP D 1 326 ? -5.086 33.776 -25.314 1.00 21.64 ? 325 ASP D CA 1 ATOM 12109 C C . ASP D 1 326 ? -5.045 32.292 -24.942 1.00 20.53 ? 325 ASP D C 1 ATOM 12110 O O . ASP D 1 326 ? -4.927 31.409 -25.813 1.00 19.81 ? 325 ASP D O 1 ATOM 12111 C CB . ASP D 1 326 ? -6.528 34.331 -25.278 1.00 23.90 ? 325 ASP D CB 1 ATOM 12112 C CG . ASP D 1 326 ? -7.010 34.694 -23.878 1.00 26.58 ? 325 ASP D CG 1 ATOM 12113 O OD1 . ASP D 1 326 ? -6.357 34.396 -22.861 1.00 27.79 ? 325 ASP D OD1 1 ATOM 12114 O OD2 . ASP D 1 326 ? -8.100 35.290 -23.794 1.00 29.90 ? 325 ASP D OD2 1 ATOM 12115 N N . GLY D 1 327 ? -5.160 32.030 -23.650 1.00 20.26 ? 326 GLY D N 1 ATOM 12116 C CA . GLY D 1 327 ? -5.105 30.659 -23.096 1.00 19.49 ? 326 GLY D CA 1 ATOM 12117 C C . GLY D 1 327 ? -4.497 30.708 -21.699 1.00 19.50 ? 326 GLY D C 1 ATOM 12118 O O . GLY D 1 327 ? -4.594 31.725 -20.995 1.00 19.66 ? 326 GLY D O 1 ATOM 12119 N N . ASP D 1 328 ? -3.869 29.608 -21.299 1.00 18.31 ? 327 ASP D N 1 ATOM 12120 C CA . ASP D 1 328 ? -3.316 29.457 -19.960 1.00 18.28 ? 327 ASP D CA 1 ATOM 12121 C C . ASP D 1 328 ? -1.787 29.437 -19.929 1.00 18.17 ? 327 ASP D C 1 ATOM 12122 O O . ASP D 1 328 ? -1.201 29.116 -18.887 1.00 18.53 ? 327 ASP D O 1 ATOM 12123 C CB . ASP D 1 328 ? -3.887 28.222 -19.263 1.00 18.73 ? 327 ASP D CB 1 ATOM 12124 C CG . ASP D 1 328 ? -3.363 26.907 -19.838 1.00 18.73 ? 327 ASP D CG 1 ATOM 12125 O OD1 . ASP D 1 328 ? -2.435 26.928 -20.680 1.00 19.62 ? 327 ASP D OD1 1 ATOM 12126 O OD2 . ASP D 1 328 ? -3.890 25.825 -19.430 1.00 20.63 ? 327 ASP D OD2 1 ATOM 12127 N N . GLY D 1 329 ? -1.153 29.871 -21.016 1.00 18.35 ? 328 GLY D N 1 ATOM 12128 C CA . GLY D 1 329 ? 0.296 29.844 -21.136 1.00 18.87 ? 328 GLY D CA 1 ATOM 12129 C C . GLY D 1 329 ? 0.797 28.686 -21.968 1.00 18.50 ? 328 GLY D C 1 ATOM 12130 O O . GLY D 1 329 ? 1.859 28.772 -22.577 1.00 18.76 ? 328 GLY D O 1 ATOM 12131 N N . THR D 1 330 ? 0.030 27.605 -22.033 1.00 18.60 ? 329 THR D N 1 ATOM 12132 C CA . THR D 1 330 ? 0.410 26.390 -22.763 1.00 19.04 ? 329 THR D CA 1 ATOM 12133 C C . THR D 1 330 ? -0.709 25.969 -23.714 1.00 18.36 ? 329 THR D C 1 ATOM 12134 O O . THR D 1 330 ? -0.497 25.818 -24.910 1.00 18.52 ? 329 THR D O 1 ATOM 12135 C CB . THR D 1 330 ? 0.696 25.242 -21.771 1.00 21.39 ? 329 THR D CB 1 ATOM 12136 O OG1 . THR D 1 330 ? 1.811 25.612 -20.948 1.00 22.24 ? 329 THR D OG1 1 ATOM 12137 C CG2 . THR D 1 330 ? 1.003 23.920 -22.494 1.00 22.07 ? 329 THR D CG2 1 ATOM 12138 N N . VAL D 1 331 ? -1.913 25.822 -23.174 1.00 17.85 ? 330 VAL D N 1 ATOM 12139 C CA . VAL D 1 331 ? -3.098 25.452 -23.948 1.00 17.78 ? 330 VAL D CA 1 ATOM 12140 C C . VAL D 1 331 ? -3.802 26.677 -24.528 1.00 17.60 ? 330 VAL D C 1 ATOM 12141 O O . VAL D 1 331 ? -4.188 27.574 -23.810 1.00 17.71 ? 330 VAL D O 1 ATOM 12142 C CB . VAL D 1 331 ? -4.079 24.677 -23.061 1.00 18.03 ? 330 VAL D CB 1 ATOM 12143 C CG1 . VAL D 1 331 ? -5.359 24.346 -23.813 1.00 19.01 ? 330 VAL D CG1 1 ATOM 12144 C CG2 . VAL D 1 331 ? -3.404 23.408 -22.559 1.00 18.28 ? 330 VAL D CG2 1 ATOM 12145 N N . ASN D 1 332 ? -3.930 26.691 -25.853 1.00 18.11 ? 331 ASN D N 1 ATOM 12146 C CA . ASN D 1 332 ? -4.548 27.787 -26.552 1.00 18.62 ? 331 ASN D CA 1 ATOM 12147 C C . ASN D 1 332 ? -6.035 27.781 -26.207 1.00 19.65 ? 331 ASN D C 1 ATOM 12148 O O . ASN D 1 332 ? -6.645 26.717 -26.062 1.00 19.40 ? 331 ASN D O 1 ATOM 12149 C CB . ASN D 1 332 ? -4.317 27.625 -28.054 1.00 19.01 ? 331 ASN D CB 1 ATOM 12150 C CG . ASN D 1 332 ? -2.844 27.565 -28.413 1.00 18.49 ? 331 ASN D CG 1 ATOM 12151 O OD1 . ASN D 1 332 ? -2.239 26.495 -28.487 1.00 17.81 ? 331 ASN D OD1 1 ATOM 12152 N ND2 . ASN D 1 332 ? -2.264 28.718 -28.622 1.00 18.73 ? 331 ASN D ND2 1 ATOM 12153 N N . LEU D 1 333 ? -6.598 28.964 -26.046 1.00 20.43 ? 332 LEU D N 1 ATOM 12154 C CA . LEU D 1 333 ? -8.008 29.099 -25.702 1.00 22.32 ? 332 LEU D CA 1 ATOM 12155 C C . LEU D 1 333 ? -8.937 28.309 -26.613 1.00 23.96 ? 332 LEU D C 1 ATOM 12156 O O . LEU D 1 333 ? -9.938 27.713 -26.157 1.00 25.73 ? 332 LEU D O 1 ATOM 12157 C CB . LEU D 1 333 ? -8.430 30.559 -25.729 1.00 23.66 ? 332 LEU D CB 1 ATOM 12158 C CG . LEU D 1 333 ? -9.876 30.849 -25.338 1.00 24.77 ? 332 LEU D CG 1 ATOM 12159 C CD1 . LEU D 1 333 ? -10.208 30.240 -23.980 1.00 26.00 ? 332 LEU D CD1 1 ATOM 12160 C CD2 . LEU D 1 333 ? -10.101 32.360 -25.335 1.00 26.34 ? 332 LEU D CD2 1 ATOM 12161 N N . LYS D 1 334 ? -8.643 28.266 -27.894 1.00 25.00 ? 333 LYS D N 1 ATOM 12162 C CA . LYS D 1 334 ? -9.570 27.541 -28.763 1.00 27.73 ? 333 LYS D CA 1 ATOM 12163 C C . LYS D 1 334 ? -9.678 26.061 -28.511 1.00 25.62 ? 333 LYS D C 1 ATOM 12164 O O . LYS D 1 334 ? -10.647 25.475 -28.892 1.00 25.23 ? 333 LYS D O 1 ATOM 12165 C CB . LYS D 1 334 ? -9.318 27.745 -30.205 1.00 31.97 ? 333 LYS D CB 1 ATOM 12166 C CG . LYS D 1 334 ? -7.933 27.405 -30.683 1.00 34.37 ? 333 LYS D CG 1 ATOM 12167 C CD . LYS D 1 334 ? -7.893 27.702 -32.172 1.00 40.67 ? 333 LYS D CD 1 ATOM 12168 C CE . LYS D 1 334 ? -7.726 29.185 -32.435 1.00 42.56 ? 333 LYS D CE 1 ATOM 12169 N NZ . LYS D 1 334 ? -8.603 29.580 -33.569 1.00 48.96 ? 333 LYS D NZ 1 ATOM 12170 N N A SER D 1 335 ? -8.845 25.480 -27.664 0.80 26.24 ? 334 SER D N 1 ATOM 12171 N N B SER D 1 335 ? -8.518 25.504 -28.148 0.20 22.12 ? 334 SER D N 1 ATOM 12172 C CA A SER D 1 335 ? -9.227 24.151 -27.087 0.80 26.56 ? 334 SER D CA 1 ATOM 12173 C CA B SER D 1 335 ? -8.270 24.080 -28.038 0.20 19.83 ? 334 SER D CA 1 ATOM 12174 C C A SER D 1 335 ? -10.632 24.088 -26.371 0.80 27.94 ? 334 SER D C 1 ATOM 12175 C C B SER D 1 335 ? -8.896 23.608 -26.748 0.20 18.54 ? 334 SER D C 1 ATOM 12176 O O A SER D 1 335 ? -11.347 23.080 -26.492 0.80 27.75 ? 334 SER D O 1 ATOM 12177 O O B SER D 1 335 ? -9.458 22.523 -26.689 0.20 17.84 ? 334 SER D O 1 ATOM 12178 C CB A SER D 1 335 ? -8.120 23.631 -26.190 0.80 26.90 ? 334 SER D CB 1 ATOM 12179 C CB B SER D 1 335 ? -6.754 23.811 -28.060 0.20 18.96 ? 334 SER D CB 1 ATOM 12180 O OG A SER D 1 335 ? -6.962 23.304 -26.965 0.80 27.65 ? 334 SER D OG 1 ATOM 12181 O OG B SER D 1 335 ? -6.437 22.433 -27.888 0.20 17.91 ? 334 SER D OG 1 ATOM 12182 N N A ALA D 1 336 ? -11.030 25.144 -25.653 0.80 25.93 ? 335 ALA D N 1 ATOM 12183 N N B ALA D 1 336 ? -8.806 24.450 -25.724 0.20 17.76 ? 335 ALA D N 1 ATOM 12184 C CA A ALA D 1 336 ? -12.320 25.148 -24.948 0.80 29.25 ? 335 ALA D CA 1 ATOM 12185 C CA B ALA D 1 336 ? -9.495 24.206 -24.472 0.20 17.54 ? 335 ALA D CA 1 ATOM 12186 C C A ALA D 1 336 ? -13.546 25.001 -25.856 0.80 30.51 ? 335 ALA D C 1 ATOM 12187 C C B ALA D 1 336 ? -11.002 24.244 -24.694 0.20 17.83 ? 335 ALA D C 1 ATOM 12188 O O A ALA D 1 336 ? -14.599 24.559 -25.401 0.80 31.85 ? 335 ALA D O 1 ATOM 12189 O O B ALA D 1 336 ? -11.745 23.449 -24.116 0.20 17.64 ? 335 ALA D O 1 ATOM 12190 C CB A ALA D 1 336 ? -12.463 26.407 -24.099 0.80 29.76 ? 335 ALA D CB 1 ATOM 12191 C CB B ALA D 1 336 ? -9.089 25.241 -23.439 0.20 17.72 ? 335 ALA D CB 1 ATOM 12192 N N A LEU D 1 337 ? -13.432 25.384 -27.120 0.80 31.24 ? 336 LEU D N 1 ATOM 12193 N N B LEU D 1 337 ? -11.447 25.164 -25.546 0.20 17.88 ? 336 LEU D N 1 ATOM 12194 C CA A LEU D 1 337 ? -14.568 25.272 -28.038 0.80 33.83 ? 336 LEU D CA 1 ATOM 12195 C CA B LEU D 1 337 ? -12.877 25.427 -25.719 0.20 18.77 ? 336 LEU D CA 1 ATOM 12196 C C A LEU D 1 337 ? -14.939 23.801 -28.231 0.80 33.08 ? 336 LEU D C 1 ATOM 12197 C C B LEU D 1 337 ? -13.616 24.382 -26.555 0.20 19.05 ? 336 LEU D C 1 ATOM 12198 O O A LEU D 1 337 ? -16.089 23.494 -28.562 0.80 30.42 ? 336 LEU D O 1 ATOM 12199 O O B LEU D 1 337 ? -14.815 24.511 -26.795 0.20 19.19 ? 336 LEU D O 1 ATOM 12200 C CB A LEU D 1 337 ? -14.274 25.923 -29.394 0.80 36.90 ? 336 LEU D CB 1 ATOM 12201 C CB B LEU D 1 337 ? -13.091 26.815 -26.324 0.20 19.17 ? 336 LEU D CB 1 ATOM 12202 C CG A LEU D 1 337 ? -14.282 27.464 -29.431 0.80 39.04 ? 336 LEU D CG 1 ATOM 12203 C CG B LEU D 1 337 ? -12.969 27.971 -25.334 0.20 19.50 ? 336 LEU D CG 1 ATOM 12204 C CD1 A LEU D 1 337 ? -13.735 27.979 -30.752 0.80 38.87 ? 336 LEU D CD1 1 ATOM 12205 C CD1 B LEU D 1 337 ? -13.494 29.260 -25.954 0.20 20.09 ? 336 LEU D CD1 1 ATOM 12206 C CD2 A LEU D 1 337 ? -15.681 28.019 -29.178 0.80 40.60 ? 336 LEU D CD2 1 ATOM 12207 C CD2 B LEU D 1 337 ? -13.715 27.639 -24.056 0.20 19.75 ? 336 LEU D CD2 1 ATOM 12208 N N A GLN D 1 338 ? -13.963 22.903 -28.038 0.80 30.12 ? 337 GLN D N 1 ATOM 12209 N N B GLN D 1 338 ? -12.907 23.340 -26.971 0.20 19.04 ? 337 GLN D N 1 ATOM 12210 C CA A GLN D 1 338 ? -14.245 21.488 -28.146 0.80 30.64 ? 337 GLN D CA 1 ATOM 12211 C CA B GLN D 1 338 ? -13.485 22.297 -27.808 0.20 19.94 ? 337 GLN D CA 1 ATOM 12212 C C A GLN D 1 338 ? -15.247 21.075 -27.078 0.80 30.46 ? 337 GLN D C 1 ATOM 12213 C C B GLN D 1 338 ? -14.635 21.551 -27.106 0.20 21.32 ? 337 GLN D C 1 ATOM 12214 O O A GLN D 1 338 ? -16.228 20.436 -27.390 0.80 28.63 ? 337 GLN D O 1 ATOM 12215 O O B GLN D 1 338 ? -15.369 20.807 -27.748 0.20 21.58 ? 337 GLN D O 1 ATOM 12216 C CB A GLN D 1 338 ? -12.974 20.641 -28.092 0.80 30.71 ? 337 GLN D CB 1 ATOM 12217 C CB B GLN D 1 338 ? -12.370 21.331 -28.241 0.20 19.34 ? 337 GLN D CB 1 ATOM 12218 C CG A GLN D 1 338 ? -13.236 19.158 -28.292 0.80 31.80 ? 337 GLN D CG 1 ATOM 12219 C CG B GLN D 1 338 ? -12.770 20.192 -29.163 0.20 19.31 ? 337 GLN D CG 1 ATOM 12220 C CD A GLN D 1 338 ? -13.585 18.767 -29.716 0.80 32.93 ? 337 GLN D CD 1 ATOM 12221 C CD B GLN D 1 338 ? -13.651 20.592 -30.338 0.20 19.78 ? 337 GLN D CD 1 ATOM 12222 O OE1 A GLN D 1 338 ? -13.670 19.603 -30.622 0.80 34.04 ? 337 GLN D OE1 1 ATOM 12223 O OE1 B GLN D 1 338 ? -13.465 21.635 -30.978 0.20 19.48 ? 337 GLN D OE1 1 ATOM 12224 N NE2 A GLN D 1 338 ? -13.733 17.464 -29.925 0.80 34.54 ? 337 GLN D NE2 1 ATOM 12225 N NE2 B GLN D 1 338 ? -14.618 19.732 -30.639 0.20 20.21 ? 337 GLN D NE2 1 ATOM 12226 N N A CYS D 1 339 ? -15.036 21.449 -25.825 0.80 30.90 ? 338 CYS D N 1 ATOM 12227 N N B CYS D 1 339 ? -14.810 21.787 -25.804 0.20 22.62 ? 338 CYS D N 1 ATOM 12228 C CA A CYS D 1 339 ? -16.069 21.126 -24.855 0.80 32.97 ? 338 CYS D CA 1 ATOM 12229 C CA B CYS D 1 339 ? -15.863 21.128 -25.009 0.20 24.14 ? 338 CYS D CA 1 ATOM 12230 C C A CYS D 1 339 ? -17.366 21.709 -25.193 0.80 33.00 ? 338 CYS D C 1 ATOM 12231 C C B CYS D 1 339 ? -17.275 21.716 -25.183 0.20 27.64 ? 338 CYS D C 1 ATOM 12232 O O A CYS D 1 339 ? -18.378 21.090 -24.918 0.80 33.03 ? 338 CYS D O 1 ATOM 12233 O O B CYS D 1 339 ? -18.271 21.080 -24.841 0.20 28.36 ? 338 CYS D O 1 ATOM 12234 C CB A CYS D 1 339 ? -15.798 21.664 -23.479 0.80 35.59 ? 338 CYS D CB 1 ATOM 12235 C CB B CYS D 1 339 ? -15.470 21.124 -23.516 0.20 23.21 ? 338 CYS D CB 1 ATOM 12236 S SG A CYS D 1 339 ? -14.224 21.277 -22.879 0.80 36.28 ? 338 CYS D SG 1 ATOM 12237 S SG B CYS D 1 339 ? -14.438 22.521 -22.996 0.20 20.75 ? 338 CYS D SG 1 ATOM 12238 N N . GLN D 1 340 ? -17.347 22.935 -25.705 1.00 31.62 ? 339 GLN D N 1 ATOM 12239 C CA . GLN D 1 340 ? -18.603 23.585 -26.053 1.00 35.03 ? 339 GLN D CA 1 ATOM 12240 C C . GLN D 1 340 ? -19.343 22.799 -27.141 1.00 33.42 ? 339 GLN D C 1 ATOM 12241 O O . GLN D 1 340 ? -20.553 22.622 -27.055 1.00 33.50 ? 339 GLN D O 1 ATOM 12242 C CB . GLN D 1 340 ? -18.350 25.011 -26.498 1.00 40.63 ? 339 GLN D CB 1 ATOM 12243 C CG . GLN D 1 340 ? -19.624 25.763 -26.828 1.00 47.60 ? 339 GLN D CG 1 ATOM 12244 C CD . GLN D 1 340 ? -19.321 27.173 -27.289 1.00 54.80 ? 339 GLN D CD 1 ATOM 12245 O OE1 . GLN D 1 340 ? -18.601 27.377 -28.278 1.00 59.22 ? 339 GLN D OE1 1 ATOM 12246 N NE2 . GLN D 1 340 ? -19.845 28.155 -26.567 1.00 58.62 ? 339 GLN D NE2 1 ATOM 12247 N N . ALA D 1 341 ? -18.606 22.257 -28.106 1.00 30.86 ? 340 ALA D N 1 ATOM 12248 C CA . ALA D 1 341 ? -19.198 21.421 -29.160 1.00 31.09 ? 340 ALA D CA 1 ATOM 12249 C C . ALA D 1 341 ? -19.838 20.147 -28.601 1.00 30.76 ? 340 ALA D C 1 ATOM 12250 O O . ALA D 1 341 ? -20.836 19.659 -29.132 1.00 29.97 ? 340 ALA D O 1 ATOM 12251 C CB . ALA D 1 341 ? -18.146 21.049 -30.204 1.00 30.78 ? 340 ALA D CB 1 ATOM 12252 N N . TRP D 1 342 ? -19.287 19.615 -27.516 1.00 27.61 ? 341 TRP D N 1 ATOM 12253 C CA . TRP D 1 342 ? -19.827 18.386 -26.931 1.00 27.76 ? 341 TRP D CA 1 ATOM 12254 C C . TRP D 1 342 ? -21.188 18.566 -26.263 1.00 29.13 ? 341 TRP D C 1 ATOM 12255 O O . TRP D 1 342 ? -21.932 17.608 -26.144 1.00 27.84 ? 341 TRP D O 1 ATOM 12256 C CB . TRP D 1 342 ? -18.834 17.780 -25.942 1.00 26.02 ? 341 TRP D CB 1 ATOM 12257 C CG . TRP D 1 342 ? -17.601 17.210 -26.573 1.00 25.04 ? 341 TRP D CG 1 ATOM 12258 C CD1 . TRP D 1 342 ? -17.459 16.680 -27.829 1.00 25.27 ? 341 TRP D CD1 1 ATOM 12259 C CD2 . TRP D 1 342 ? -16.338 17.042 -25.931 1.00 24.21 ? 341 TRP D CD2 1 ATOM 12260 N NE1 . TRP D 1 342 ? -16.170 16.221 -28.008 1.00 25.15 ? 341 TRP D NE1 1 ATOM 12261 C CE2 . TRP D 1 342 ? -15.470 16.429 -26.851 1.00 24.39 ? 341 TRP D CE2 1 ATOM 12262 C CE3 . TRP D 1 342 ? -15.861 17.355 -24.671 1.00 24.69 ? 341 TRP D CE3 1 ATOM 12263 C CZ2 . TRP D 1 342 ? -14.148 16.129 -26.543 1.00 23.41 ? 341 TRP D CZ2 1 ATOM 12264 C CZ3 . TRP D 1 342 ? -14.531 17.056 -24.368 1.00 23.68 ? 341 TRP D CZ3 1 ATOM 12265 C CH2 . TRP D 1 342 ? -13.707 16.461 -25.302 1.00 23.08 ? 341 TRP D CH2 1 ATOM 12266 N N . GLN D 1 343 ? -21.506 19.778 -25.824 1.00 31.84 ? 342 GLN D N 1 ATOM 12267 C CA . GLN D 1 343 ? -22.787 20.048 -25.175 1.00 36.50 ? 342 GLN D CA 1 ATOM 12268 C C . GLN D 1 343 ? -23.985 19.547 -25.984 1.00 36.76 ? 342 GLN D C 1 ATOM 12269 O O . GLN D 1 343 ? -24.931 19.012 -25.418 1.00 37.87 ? 342 GLN D O 1 ATOM 12270 C CB . GLN D 1 343 ? -22.975 21.544 -24.943 1.00 40.90 ? 342 GLN D CB 1 ATOM 12271 C CG . GLN D 1 343 ? -22.035 22.139 -23.924 1.00 43.90 ? 342 GLN D CG 1 ATOM 12272 C CD . GLN D 1 343 ? -22.383 23.587 -23.606 1.00 48.93 ? 342 GLN D CD 1 ATOM 12273 O OE1 . GLN D 1 343 ? -22.466 24.428 -24.507 1.00 53.55 ? 342 GLN D OE1 1 ATOM 12274 N NE2 . GLN D 1 343 ? -22.570 23.888 -22.323 1.00 48.70 ? 342 GLN D NE2 1 ATOM 12275 N N . SER D 1 344 ? -23.945 19.706 -27.298 1.00 36.13 ? 343 SER D N 1 ATOM 12276 C CA . SER D 1 344 ? -25.075 19.307 -28.136 1.00 39.13 ? 343 SER D CA 1 ATOM 12277 C C . SER D 1 344 ? -24.961 17.867 -28.637 1.00 38.14 ? 343 SER D C 1 ATOM 12278 O O . SER D 1 344 ? -25.895 17.367 -29.255 1.00 38.83 ? 343 SER D O 1 ATOM 12279 C CB . SER D 1 344 ? -25.243 20.273 -29.310 1.00 41.01 ? 343 SER D CB 1 ATOM 12280 O OG . SER D 1 344 ? -24.148 20.163 -30.202 1.00 43.30 ? 343 SER D OG 1 ATOM 12281 N N . ARG D 1 345 ? -23.864 17.177 -28.318 1.00 34.17 ? 344 ARG D N 1 ATOM 12282 C CA . ARG D 1 345 ? -23.632 15.809 -28.795 1.00 34.35 ? 344 ARG D CA 1 ATOM 12283 C C . ARG D 1 345 ? -23.776 14.716 -27.734 1.00 32.65 ? 344 ARG D C 1 ATOM 12284 O O . ARG D 1 345 ? -23.679 13.530 -28.048 1.00 32.32 ? 344 ARG D O 1 ATOM 12285 C CB . ARG D 1 345 ? -22.225 15.699 -29.388 1.00 35.30 ? 344 ARG D CB 1 ATOM 12286 C CG . ARG D 1 345 ? -22.067 16.471 -30.684 1.00 37.82 ? 344 ARG D CG 1 ATOM 12287 C CD . ARG D 1 345 ? -20.633 16.395 -31.153 1.00 38.76 ? 344 ARG D CD 1 ATOM 12288 N NE . ARG D 1 345 ? -20.349 17.436 -32.129 1.00 42.09 ? 344 ARG D NE 1 ATOM 12289 C CZ . ARG D 1 345 ? -19.145 17.978 -32.340 1.00 45.30 ? 344 ARG D CZ 1 ATOM 12290 N NH1 . ARG D 1 345 ? -18.066 17.587 -31.641 1.00 43.88 ? 344 ARG D NH1 1 ATOM 12291 N NH2 . ARG D 1 345 ? -19.018 18.935 -33.251 1.00 45.51 ? 344 ARG D NH2 1 ATOM 12292 N N . GLN D 1 346 ? -23.961 15.088 -26.475 1.00 31.17 ? 345 GLN D N 1 ATOM 12293 C CA . GLN D 1 346 ? -24.178 14.085 -25.433 1.00 29.59 ? 345 GLN D CA 1 ATOM 12294 C C . GLN D 1 346 ? -25.301 14.558 -24.539 1.00 30.09 ? 345 GLN D C 1 ATOM 12295 O O . GLN D 1 346 ? -25.576 15.756 -24.447 1.00 30.25 ? 345 GLN D O 1 ATOM 12296 C CB . GLN D 1 346 ? -22.889 13.772 -24.634 1.00 27.51 ? 345 GLN D CB 1 ATOM 12297 C CG . GLN D 1 346 ? -22.311 14.935 -23.855 1.00 26.70 ? 345 GLN D CG 1 ATOM 12298 C CD . GLN D 1 346 ? -21.221 14.515 -22.871 1.00 25.44 ? 345 GLN D CD 1 ATOM 12299 O OE1 . GLN D 1 346 ? -20.287 13.805 -23.231 1.00 24.93 ? 345 GLN D OE1 1 ATOM 12300 N NE2 . GLN D 1 346 ? -21.341 14.946 -21.633 1.00 25.12 ? 345 GLN D NE2 1 ATOM 12301 N N . GLU D 1 347 ? -25.974 13.608 -23.907 1.00 31.49 ? 346 GLU D N 1 ATOM 12302 C CA . GLU D 1 347 ? -27.031 13.923 -22.942 1.00 32.59 ? 346 GLU D CA 1 ATOM 12303 C C . GLU D 1 347 ? -26.515 14.350 -21.593 1.00 30.81 ? 346 GLU D C 1 ATOM 12304 O O . GLU D 1 347 ? -27.150 15.151 -20.925 1.00 29.38 ? 346 GLU D O 1 ATOM 12305 C CB . GLU D 1 347 ? -27.898 12.723 -22.653 1.00 35.12 ? 346 GLU D CB 1 ATOM 12306 C CG . GLU D 1 347 ? -28.524 12.202 -23.902 1.00 37.85 ? 346 GLU D CG 1 ATOM 12307 C CD . GLU D 1 347 ? -29.210 10.862 -23.688 1.00 39.64 ? 346 GLU D CD 1 ATOM 12308 O OE1 . GLU D 1 347 ? -28.838 10.114 -22.737 1.00 37.49 ? 346 GLU D OE1 1 ATOM 12309 O OE2 . GLU D 1 347 ? -30.115 10.569 -24.501 1.00 41.58 ? 346 GLU D OE2 1 ATOM 12310 N N . HIS D 1 348 ? -25.428 13.735 -21.140 1.00 28.14 ? 347 HIS D N 1 ATOM 12311 C CA A HIS D 1 348 ? -24.848 14.137 -19.857 0.70 27.62 ? 347 HIS D CA 1 ATOM 12312 C CA B HIS D 1 348 ? -24.819 14.119 -19.868 0.30 27.65 ? 347 HIS D CA 1 ATOM 12313 C C . HIS D 1 348 ? -24.415 15.595 -19.931 1.00 27.24 ? 347 HIS D C 1 ATOM 12314 O O . HIS D 1 348 ? -24.002 16.079 -20.994 1.00 25.91 ? 347 HIS D O 1 ATOM 12315 C CB A HIS D 1 348 ? -23.649 13.280 -19.491 0.70 26.63 ? 347 HIS D CB 1 ATOM 12316 C CB B HIS D 1 348 ? -23.597 13.249 -19.566 0.30 26.67 ? 347 HIS D CB 1 ATOM 12317 C CG A HIS D 1 348 ? -24.006 11.929 -18.972 0.70 26.66 ? 347 HIS D CG 1 ATOM 12318 C CG B HIS D 1 348 ? -23.911 11.795 -19.384 0.30 26.72 ? 347 HIS D CG 1 ATOM 12319 N ND1 A HIS D 1 348 ? -24.350 10.895 -19.807 0.70 26.85 ? 347 HIS D ND1 1 ATOM 12320 N ND1 B HIS D 1 348 ? -24.066 11.217 -18.143 0.30 27.02 ? 347 HIS D ND1 1 ATOM 12321 C CD2 A HIS D 1 348 ? -24.046 11.427 -17.714 0.70 27.27 ? 347 HIS D CD2 1 ATOM 12322 C CD2 B HIS D 1 348 ? -24.076 10.799 -20.285 0.30 26.88 ? 347 HIS D CD2 1 ATOM 12323 C CE1 A HIS D 1 348 ? -24.611 9.815 -19.088 0.70 27.30 ? 347 HIS D CE1 1 ATOM 12324 C CE1 B HIS D 1 348 ? -24.327 9.930 -18.287 0.30 27.10 ? 347 HIS D CE1 1 ATOM 12325 N NE2 A HIS D 1 348 ? -24.433 10.112 -17.814 0.70 27.53 ? 347 HIS D NE2 1 ATOM 12326 N NE2 B HIS D 1 348 ? -24.340 9.650 -19.577 0.30 27.20 ? 347 HIS D NE2 1 ATOM 12327 N N . GLN D 1 349 ? -24.526 16.295 -18.805 1.00 27.97 ? 348 GLN D N 1 ATOM 12328 C CA . GLN D 1 349 ? -24.206 17.725 -18.774 1.00 30.15 ? 348 GLN D CA 1 ATOM 12329 C C . GLN D 1 349 ? -22.735 17.988 -19.047 1.00 27.23 ? 348 GLN D C 1 ATOM 12330 O O . GLN D 1 349 ? -21.871 17.205 -18.639 1.00 24.29 ? 348 GLN D O 1 ATOM 12331 C CB . GLN D 1 349 ? -24.492 18.338 -17.423 1.00 33.75 ? 348 GLN D CB 1 ATOM 12332 C CG . GLN D 1 349 ? -25.912 18.299 -16.956 1.00 40.61 ? 348 GLN D CG 1 ATOM 12333 C CD . GLN D 1 349 ? -26.005 18.930 -15.583 1.00 44.97 ? 348 GLN D CD 1 ATOM 12334 O OE1 . GLN D 1 349 ? -25.785 20.137 -15.429 1.00 47.37 ? 348 GLN D OE1 1 ATOM 12335 N NE2 . GLN D 1 349 ? -26.286 18.113 -14.574 1.00 50.23 ? 348 GLN D NE2 1 ATOM 12336 N N . VAL D 1 350 ? -22.476 19.095 -19.743 1.00 27.19 ? 349 VAL D N 1 ATOM 12337 C CA . VAL D 1 350 ? -21.127 19.637 -19.932 1.00 26.71 ? 349 VAL D CA 1 ATOM 12338 C C . VAL D 1 350 ? -21.136 21.028 -19.305 1.00 28.06 ? 349 VAL D C 1 ATOM 12339 O O . VAL D 1 350 ? -21.892 21.901 -19.756 1.00 29.53 ? 349 VAL D O 1 ATOM 12340 C CB . VAL D 1 350 ? -20.744 19.736 -21.409 1.00 27.20 ? 349 VAL D CB 1 ATOM 12341 C CG1 . VAL D 1 350 ? -19.361 20.363 -21.572 1.00 27.15 ? 349 VAL D CG1 1 ATOM 12342 C CG2 . VAL D 1 350 ? -20.783 18.352 -22.075 1.00 27.25 ? 349 VAL D CG2 1 ATOM 12343 N N A LEU D 1 351 ? -20.345 21.221 -18.255 0.50 27.56 ? 350 LEU D N 1 ATOM 12344 N N B LEU D 1 351 ? -20.351 21.216 -18.245 0.50 27.40 ? 350 LEU D N 1 ATOM 12345 C CA A LEU D 1 351 ? -20.251 22.515 -17.584 0.50 28.83 ? 350 LEU D CA 1 ATOM 12346 C CA B LEU D 1 351 ? -20.246 22.505 -17.545 0.50 28.54 ? 350 LEU D CA 1 ATOM 12347 C C A LEU D 1 351 ? -18.902 23.137 -17.927 0.50 28.49 ? 350 LEU D C 1 ATOM 12348 C C B LEU D 1 351 ? -18.908 23.140 -17.899 0.50 28.33 ? 350 LEU D C 1 ATOM 12349 O O A LEU D 1 351 ? -17.865 22.503 -17.777 0.50 28.06 ? 350 LEU D O 1 ATOM 12350 O O B LEU D 1 351 ? -17.876 22.510 -17.704 0.50 27.89 ? 350 LEU D O 1 ATOM 12351 C CB A LEU D 1 351 ? -20.355 22.346 -16.072 0.50 29.21 ? 350 LEU D CB 1 ATOM 12352 C CB B LEU D 1 351 ? -20.284 22.297 -16.032 0.50 28.70 ? 350 LEU D CB 1 ATOM 12353 C CG A LEU D 1 351 ? -21.461 21.489 -15.462 0.50 29.94 ? 350 LEU D CG 1 ATOM 12354 C CG B LEU D 1 351 ? -21.542 21.721 -15.372 0.50 29.45 ? 350 LEU D CG 1 ATOM 12355 C CD1 A LEU D 1 351 ? -21.861 21.946 -14.064 0.50 30.47 ? 350 LEU D CD1 1 ATOM 12356 C CD1 B LEU D 1 351 ? -22.774 22.499 -15.813 0.50 30.63 ? 350 LEU D CD1 1 ATOM 12357 C CD2 A LEU D 1 351 ? -22.661 21.495 -16.369 0.50 30.68 ? 350 LEU D CD2 1 ATOM 12358 C CD2 B LEU D 1 351 ? -21.681 20.222 -15.637 0.50 28.71 ? 350 LEU D CD2 1 ATOM 12359 N N . LEU D 1 352 ? -18.921 24.363 -18.425 1.00 29.26 ? 351 LEU D N 1 ATOM 12360 C CA . LEU D 1 352 ? -17.691 25.081 -18.755 1.00 29.81 ? 351 LEU D CA 1 ATOM 12361 C C . LEU D 1 352 ? -17.371 26.026 -17.617 1.00 29.18 ? 351 LEU D C 1 ATOM 12362 O O . LEU D 1 352 ? -18.257 26.720 -17.140 1.00 28.77 ? 351 LEU D O 1 ATOM 12363 C CB . LEU D 1 352 ? -17.824 25.827 -20.084 1.00 33.11 ? 351 LEU D CB 1 ATOM 12364 C CG . LEU D 1 352 ? -17.265 25.034 -21.280 1.00 35.80 ? 351 LEU D CG 1 ATOM 12365 C CD1 . LEU D 1 352 ? -18.161 23.857 -21.618 1.00 36.41 ? 351 LEU D CD1 1 ATOM 12366 C CD2 . LEU D 1 352 ? -17.088 25.931 -22.495 1.00 38.49 ? 351 LEU D CD2 1 ATOM 12367 N N . GLN D 1 353 ? -16.112 26.067 -17.188 1.00 25.64 ? 352 GLN D N 1 ATOM 12368 C CA . GLN D 1 353 ? -15.704 27.010 -16.175 1.00 26.70 ? 352 GLN D CA 1 ATOM 12369 C C . GLN D 1 353 ? -14.407 27.712 -16.551 1.00 26.37 ? 352 GLN D C 1 ATOM 12370 O O . GLN D 1 353 ? -13.332 27.104 -16.553 1.00 24.01 ? 352 GLN D O 1 ATOM 12371 C CB . GLN D 1 353 ? -15.539 26.319 -14.824 1.00 27.35 ? 352 GLN D CB 1 ATOM 12372 C CG . GLN D 1 353 ? -15.067 27.251 -13.719 1.00 28.67 ? 352 GLN D CG 1 ATOM 12373 C CD . GLN D 1 353 ? -16.080 28.337 -13.445 1.00 31.32 ? 352 GLN D CD 1 ATOM 12374 O OE1 . GLN D 1 353 ? -17.180 28.035 -12.993 1.00 33.19 ? 352 GLN D OE1 1 ATOM 12375 N NE2 . GLN D 1 353 ? -15.742 29.590 -13.740 1.00 31.64 ? 352 GLN D NE2 1 ATOM 12376 N N . GLU D 1 354 ? -14.526 28.995 -16.883 1.00 26.45 ? 353 GLU D N 1 ATOM 12377 C CA . GLU D 1 354 ? -13.363 29.822 -17.145 1.00 26.45 ? 353 GLU D CA 1 ATOM 12378 C C . GLU D 1 354 ? -12.611 30.129 -15.854 1.00 25.76 ? 353 GLU D C 1 ATOM 12379 O O . GLU D 1 354 ? -13.230 30.398 -14.816 1.00 25.05 ? 353 GLU D O 1 ATOM 12380 C CB . GLU D 1 354 ? -13.788 31.131 -17.822 1.00 28.45 ? 353 GLU D CB 1 ATOM 12381 C CG . GLU D 1 354 ? -12.614 31.922 -18.392 1.00 29.86 ? 353 GLU D CG 1 ATOM 12382 C CD . GLU D 1 354 ? -13.000 33.308 -18.877 1.00 32.83 ? 353 GLU D CD 1 ATOM 12383 O OE1 . GLU D 1 354 ? -14.215 33.626 -18.870 1.00 35.83 ? 353 GLU D OE1 1 ATOM 12384 O OE2 . GLU D 1 354 ? -12.081 34.074 -19.250 1.00 31.97 ? 353 GLU D OE2 1 ATOM 12385 N N . LEU D 1 355 ? -11.280 30.109 -15.936 1.00 24.59 ? 354 LEU D N 1 ATOM 12386 C CA . LEU D 1 355 ? -10.396 30.462 -14.834 1.00 24.94 ? 354 LEU D CA 1 ATOM 12387 C C . LEU D 1 355 ? -9.503 31.614 -15.311 1.00 25.83 ? 354 LEU D C 1 ATOM 12388 O O . LEU D 1 355 ? -8.371 31.393 -15.757 1.00 23.60 ? 354 LEU D O 1 ATOM 12389 C CB . LEU D 1 355 ? -9.539 29.264 -14.413 1.00 24.43 ? 354 LEU D CB 1 ATOM 12390 C CG . LEU D 1 355 ? -10.336 27.991 -14.034 1.00 25.09 ? 354 LEU D CG 1 ATOM 12391 C CD1 . LEU D 1 355 ? -9.384 26.818 -13.852 1.00 24.46 ? 354 LEU D CD1 1 ATOM 12392 C CD2 . LEU D 1 355 ? -11.182 28.220 -12.786 1.00 26.41 ? 354 LEU D CD2 1 ATOM 12393 N N . PRO D 1 356 ? -10.008 32.855 -15.224 1.00 27.25 ? 355 PRO D N 1 ATOM 12394 C CA . PRO D 1 356 ? -9.203 33.969 -15.715 1.00 27.87 ? 355 PRO D CA 1 ATOM 12395 C C . PRO D 1 356 ? -7.953 34.194 -14.877 1.00 27.64 ? 355 PRO D C 1 ATOM 12396 O O . PRO D 1 356 ? -8.023 34.250 -13.653 1.00 26.88 ? 355 PRO D O 1 ATOM 12397 C CB . PRO D 1 356 ? -10.147 35.184 -15.647 1.00 30.04 ? 355 PRO D CB 1 ATOM 12398 C CG . PRO D 1 356 ? -11.441 34.693 -15.112 1.00 30.88 ? 355 PRO D CG 1 ATOM 12399 C CD . PRO D 1 356 ? -11.267 33.295 -14.599 1.00 29.99 ? 355 PRO D CD 1 ATOM 12400 N N . GLY D 1 357 ? -6.818 34.296 -15.546 1.00 27.34 ? 356 GLY D N 1 ATOM 12401 C CA . GLY D 1 357 ? -5.537 34.527 -14.901 1.00 27.89 ? 356 GLY D CA 1 ATOM 12402 C C . GLY D 1 357 ? -4.907 33.269 -14.343 1.00 27.87 ? 356 GLY D C 1 ATOM 12403 O O . GLY D 1 357 ? -3.939 33.357 -13.594 1.00 29.00 ? 356 GLY D O 1 ATOM 12404 N N . SER D 1 358 ? -5.447 32.094 -14.665 1.00 25.81 ? 357 SER D N 1 ATOM 12405 C CA . SER D 1 358 ? -4.922 30.854 -14.082 1.00 25.83 ? 357 SER D CA 1 ATOM 12406 C C . SER D 1 358 ? -3.963 30.177 -15.054 1.00 24.59 ? 357 SER D C 1 ATOM 12407 O O . SER D 1 358 ? -4.366 29.732 -16.132 1.00 24.84 ? 357 SER D O 1 ATOM 12408 C CB . SER D 1 358 ? -6.082 29.929 -13.697 1.00 25.72 ? 357 SER D CB 1 ATOM 12409 O OG . SER D 1 358 ? -5.619 28.800 -12.998 1.00 26.93 ? 357 SER D OG 1 ATOM 12410 N N . GLU D 1 359 ? -2.687 30.137 -14.693 1.00 23.61 ? 358 GLU D N 1 ATOM 12411 C CA . GLU D 1 359 ? -1.669 29.527 -15.526 1.00 22.96 ? 358 GLU D CA 1 ATOM 12412 C C . GLU D 1 359 ? -1.741 27.995 -15.482 1.00 21.51 ? 358 GLU D C 1 ATOM 12413 O O . GLU D 1 359 ? -2.212 27.372 -14.511 1.00 21.61 ? 358 GLU D O 1 ATOM 12414 C CB . GLU D 1 359 ? -0.272 30.058 -15.116 1.00 24.92 ? 358 GLU D CB 1 ATOM 12415 C CG . GLU D 1 359 ? 0.888 29.621 -16.002 1.00 26.86 ? 358 GLU D CG 1 ATOM 12416 C CD . GLU D 1 359 ? 1.447 28.249 -15.627 1.00 29.72 ? 358 GLU D CD 1 ATOM 12417 O OE1 . GLU D 1 359 ? 1.340 27.858 -14.425 1.00 31.45 ? 358 GLU D OE1 1 ATOM 12418 O OE2 . GLU D 1 359 ? 1.976 27.548 -16.526 1.00 29.83 ? 358 GLU D OE2 1 ATOM 12419 N N . HIS D 1 360 ? -1.287 27.396 -16.571 1.00 20.58 ? 359 HIS D N 1 ATOM 12420 C CA . HIS D 1 360 ? -1.463 25.961 -16.841 1.00 20.14 ? 359 HIS D CA 1 ATOM 12421 C C . HIS D 1 360 ? -1.099 25.025 -15.688 1.00 21.02 ? 359 HIS D C 1 ATOM 12422 O O . HIS D 1 360 ? -1.851 24.115 -15.372 1.00 22.01 ? 359 HIS D O 1 ATOM 12423 C CB . HIS D 1 360 ? -0.622 25.590 -18.046 1.00 19.23 ? 359 HIS D CB 1 ATOM 12424 C CG . HIS D 1 360 ? -0.880 24.208 -18.549 1.00 18.60 ? 359 HIS D CG 1 ATOM 12425 N ND1 . HIS D 1 360 ? -2.096 23.826 -19.072 1.00 18.58 ? 359 HIS D ND1 1 ATOM 12426 C CD2 . HIS D 1 360 ? -0.083 23.120 -18.606 1.00 18.32 ? 359 HIS D CD2 1 ATOM 12427 C CE1 . HIS D 1 360 ? -2.028 22.557 -19.443 1.00 18.29 ? 359 HIS D CE1 1 ATOM 12428 N NE2 . HIS D 1 360 ? -0.830 22.107 -19.153 1.00 17.85 ? 359 HIS D NE2 1 ATOM 12429 N N . ILE D 1 361 ? 0.082 25.195 -15.121 1.00 23.50 ? 360 ILE D N 1 ATOM 12430 C CA . ILE D 1 361 ? 0.508 24.381 -13.987 1.00 26.54 ? 360 ILE D CA 1 ATOM 12431 C C . ILE D 1 361 ? -0.019 24.878 -12.649 1.00 27.95 ? 360 ILE D C 1 ATOM 12432 O O . ILE D 1 361 ? -0.458 24.077 -11.792 1.00 27.33 ? 360 ILE D O 1 ATOM 12433 C CB . ILE D 1 361 ? 2.032 24.311 -13.909 1.00 31.45 ? 360 ILE D CB 1 ATOM 12434 C CG1 . ILE D 1 361 ? 2.563 23.641 -15.169 1.00 32.83 ? 360 ILE D CG1 1 ATOM 12435 C CG2 . ILE D 1 361 ? 2.451 23.523 -12.668 1.00 32.89 ? 360 ILE D CG2 1 ATOM 12436 C CD1 . ILE D 1 361 ? 4.066 23.708 -15.304 1.00 35.87 ? 360 ILE D CD1 1 ATOM 12437 N N . GLU D 1 362 ? -0.015 26.186 -12.456 1.00 27.52 ? 361 GLU D N 1 ATOM 12438 C CA . GLU D 1 362 ? -0.464 26.748 -11.182 1.00 29.79 ? 361 GLU D CA 1 ATOM 12439 C C . GLU D 1 362 ? -1.926 26.391 -10.884 1.00 27.92 ? 361 GLU D C 1 ATOM 12440 O O . GLU D 1 362 ? -2.322 26.365 -9.726 1.00 25.41 ? 361 GLU D O 1 ATOM 12441 C CB . GLU D 1 362 ? -0.259 28.263 -11.170 1.00 34.73 ? 361 GLU D CB 1 ATOM 12442 C CG . GLU D 1 362 ? 1.217 28.626 -11.120 1.00 40.81 ? 361 GLU D CG 1 ATOM 12443 C CD . GLU D 1 362 ? 1.499 30.117 -11.231 1.00 48.07 ? 361 GLU D CD 1 ATOM 12444 O OE1 . GLU D 1 362 ? 0.549 30.942 -11.230 1.00 52.60 ? 361 GLU D OE1 1 ATOM 12445 O OE2 . GLU D 1 362 ? 2.696 30.465 -11.345 1.00 54.40 ? 361 GLU D OE2 1 ATOM 12446 N N . MET D 1 363 ? -2.725 26.100 -11.917 1.00 25.81 ? 362 MET D N 1 ATOM 12447 C CA . MET D 1 363 ? -4.141 25.797 -11.687 1.00 26.07 ? 362 MET D CA 1 ATOM 12448 C C . MET D 1 363 ? -4.355 24.587 -10.777 1.00 25.05 ? 362 MET D C 1 ATOM 12449 O O . MET D 1 363 ? -5.366 24.518 -10.096 1.00 23.22 ? 362 MET D O 1 ATOM 12450 C CB . MET D 1 363 ? -4.938 25.646 -12.995 1.00 27.32 ? 362 MET D CB 1 ATOM 12451 C CG . MET D 1 363 ? -4.780 24.379 -13.773 1.00 29.78 ? 362 MET D CG 1 ATOM 12452 S SD . MET D 1 363 ? -6.089 24.246 -15.071 1.00 34.20 ? 362 MET D SD 1 ATOM 12453 C CE . MET D 1 363 ? -5.760 25.694 -16.098 1.00 34.08 ? 362 MET D CE 1 ATOM 12454 N N . LEU D 1 364 ? -3.388 23.670 -10.743 1.00 24.66 ? 363 LEU D N 1 ATOM 12455 C CA . LEU D 1 364 ? -3.454 22.494 -9.868 1.00 26.49 ? 363 LEU D CA 1 ATOM 12456 C C . LEU D 1 364 ? -3.327 22.755 -8.373 1.00 24.67 ? 363 LEU D C 1 ATOM 12457 O O . LEU D 1 364 ? -3.725 21.906 -7.563 1.00 25.82 ? 363 LEU D O 1 ATOM 12458 C CB . LEU D 1 364 ? -2.359 21.497 -10.227 1.00 27.57 ? 363 LEU D CB 1 ATOM 12459 C CG . LEU D 1 364 ? -2.623 20.607 -11.419 1.00 30.10 ? 363 LEU D CG 1 ATOM 12460 C CD1 . LEU D 1 364 ? -1.494 19.580 -11.446 1.00 31.22 ? 363 LEU D CD1 1 ATOM 12461 C CD2 . LEU D 1 364 ? -3.956 19.872 -11.324 1.00 29.38 ? 363 LEU D CD2 1 ATOM 12462 N N . ALA D 1 365 ? -2.773 23.896 -8.006 1.00 24.12 ? 364 ALA D N 1 ATOM 12463 C CA . ALA D 1 365 ? -2.595 24.269 -6.601 1.00 25.73 ? 364 ALA D CA 1 ATOM 12464 C C . ALA D 1 365 ? -3.383 25.511 -6.261 1.00 26.84 ? 364 ALA D C 1 ATOM 12465 O O . ALA D 1 365 ? -3.227 26.081 -5.195 1.00 30.25 ? 364 ALA D O 1 ATOM 12466 C CB . ALA D 1 365 ? -1.112 24.487 -6.307 1.00 25.74 ? 364 ALA D CB 1 ATOM 12467 N N . ASN D 1 366 ? -4.254 25.934 -7.162 1.00 26.07 ? 365 ASN D N 1 ATOM 12468 C CA . ASN D 1 366 ? -4.964 27.193 -7.010 1.00 26.16 ? 365 ASN D CA 1 ATOM 12469 C C . ASN D 1 366 ? -6.253 26.986 -6.203 1.00 26.03 ? 365 ASN D C 1 ATOM 12470 O O . ASN D 1 366 ? -7.002 26.043 -6.439 1.00 24.26 ? 365 ASN D O 1 ATOM 12471 C CB . ASN D 1 366 ? -5.231 27.740 -8.405 1.00 27.04 ? 365 ASN D CB 1 ATOM 12472 C CG . ASN D 1 366 ? -5.997 29.041 -8.414 1.00 28.52 ? 365 ASN D CG 1 ATOM 12473 O OD1 . ASN D 1 366 ? -7.094 29.142 -7.864 1.00 31.02 ? 365 ASN D OD1 1 ATOM 12474 N ND2 . ASN D 1 366 ? -5.430 30.044 -9.067 1.00 28.43 ? 365 ASN D ND2 1 ATOM 12475 N N . ALA D 1 367 ? -6.471 27.862 -5.221 1.00 26.86 ? 366 ALA D N 1 ATOM 12476 C CA . ALA D 1 367 ? -7.587 27.748 -4.285 1.00 27.38 ? 366 ALA D CA 1 ATOM 12477 C C . ALA D 1 367 ? -8.957 27.731 -4.981 1.00 26.64 ? 366 ALA D C 1 ATOM 12478 O O . ALA D 1 367 ? -9.875 27.067 -4.504 1.00 26.25 ? 366 ALA D O 1 ATOM 12479 C CB . ALA D 1 367 ? -7.522 28.863 -3.243 1.00 29.29 ? 366 ALA D CB 1 ATOM 12480 N N . THR D 1 368 ? -9.099 28.473 -6.074 1.00 26.98 ? 367 THR D N 1 ATOM 12481 C CA A THR D 1 368 ? -10.362 28.491 -6.821 0.50 27.08 ? 367 THR D CA 1 ATOM 12482 C CA B THR D 1 368 ? -10.350 28.497 -6.838 0.50 26.40 ? 367 THR D CA 1 ATOM 12483 C C . THR D 1 368 ? -10.603 27.154 -7.511 1.00 25.73 ? 367 THR D C 1 ATOM 12484 O O . THR D 1 368 ? -11.728 26.656 -7.530 1.00 25.04 ? 367 THR D O 1 ATOM 12485 C CB A THR D 1 368 ? -10.443 29.647 -7.844 0.50 28.51 ? 367 THR D CB 1 ATOM 12486 C CB B THR D 1 368 ? -10.319 29.613 -7.893 0.50 26.94 ? 367 THR D CB 1 ATOM 12487 O OG1 A THR D 1 368 ? -9.331 29.599 -8.757 0.50 29.54 ? 367 THR D OG1 1 ATOM 12488 O OG1 B THR D 1 368 ? -10.047 30.848 -7.237 0.50 27.94 ? 367 THR D OG1 1 ATOM 12489 C CG2 A THR D 1 368 ? -10.462 30.953 -7.109 0.50 29.81 ? 367 THR D CG2 1 ATOM 12490 C CG2 B THR D 1 368 ? -11.640 29.706 -8.674 0.50 27.00 ? 367 THR D CG2 1 ATOM 12491 N N . THR D 1 369 ? -9.549 26.554 -8.051 1.00 23.40 ? 368 THR D N 1 ATOM 12492 C CA . THR D 1 369 ? -9.666 25.217 -8.655 1.00 22.71 ? 368 THR D CA 1 ATOM 12493 C C . THR D 1 369 ? -10.093 24.205 -7.614 1.00 21.93 ? 368 THR D C 1 ATOM 12494 O O . THR D 1 369 ? -10.978 23.368 -7.849 1.00 20.62 ? 368 THR D O 1 ATOM 12495 C CB . THR D 1 369 ? -8.329 24.727 -9.263 1.00 21.88 ? 368 THR D CB 1 ATOM 12496 O OG1 . THR D 1 369 ? -7.825 25.688 -10.203 1.00 21.76 ? 368 THR D OG1 1 ATOM 12497 C CG2 . THR D 1 369 ? -8.514 23.398 -9.957 1.00 22.36 ? 368 THR D CG2 1 ATOM 12498 N N . LEU D 1 370 ? -9.453 24.277 -6.460 1.00 21.90 ? 369 LEU D N 1 ATOM 12499 C CA . LEU D 1 370 ? -9.717 23.327 -5.400 1.00 22.28 ? 369 LEU D CA 1 ATOM 12500 C C . LEU D 1 370 ? -11.141 23.513 -4.826 1.00 22.54 ? 369 LEU D C 1 ATOM 12501 O O . LEU D 1 370 ? -11.811 22.535 -4.493 1.00 21.30 ? 369 LEU D O 1 ATOM 12502 C CB . LEU D 1 370 ? -8.652 23.448 -4.319 1.00 23.38 ? 369 LEU D CB 1 ATOM 12503 C CG . LEU D 1 370 ? -7.242 23.090 -4.812 1.00 23.33 ? 369 LEU D CG 1 ATOM 12504 C CD1 . LEU D 1 370 ? -6.179 23.417 -3.772 1.00 24.70 ? 369 LEU D CD1 1 ATOM 12505 C CD2 . LEU D 1 370 ? -7.170 21.640 -5.217 1.00 23.89 ? 369 LEU D CD2 1 ATOM 12506 N N . ALA D 1 371 ? -11.596 24.755 -4.737 1.00 23.11 ? 370 ALA D N 1 ATOM 12507 C CA . ALA D 1 371 ? -12.970 25.035 -4.264 1.00 24.42 ? 370 ALA D CA 1 ATOM 12508 C C . ALA D 1 371 ? -14.007 24.462 -5.237 1.00 24.22 ? 370 ALA D C 1 ATOM 12509 O O . ALA D 1 371 ? -15.043 23.953 -4.813 1.00 24.78 ? 370 ALA D O 1 ATOM 12510 C CB . ALA D 1 371 ? -13.187 26.534 -4.079 1.00 25.23 ? 370 ALA D CB 1 ATOM 12511 N N . TYR D 1 372 ? -13.724 24.544 -6.534 1.00 23.90 ? 371 TYR D N 1 ATOM 12512 C CA . TYR D 1 372 ? -14.604 23.939 -7.549 1.00 24.19 ? 371 TYR D CA 1 ATOM 12513 C C . TYR D 1 372 ? -14.655 22.407 -7.388 1.00 22.96 ? 371 TYR D C 1 ATOM 12514 O O . TYR D 1 372 ? -15.732 21.799 -7.360 1.00 22.86 ? 371 TYR D O 1 ATOM 12515 C CB . TYR D 1 372 ? -14.157 24.310 -8.967 1.00 23.67 ? 371 TYR D CB 1 ATOM 12516 C CG . TYR D 1 372 ? -15.165 23.938 -10.019 1.00 24.49 ? 371 TYR D CG 1 ATOM 12517 C CD1 . TYR D 1 372 ? -15.286 22.625 -10.475 1.00 24.53 ? 371 TYR D CD1 1 ATOM 12518 C CD2 . TYR D 1 372 ? -16.024 24.897 -10.560 1.00 26.66 ? 371 TYR D CD2 1 ATOM 12519 C CE1 . TYR D 1 372 ? -16.239 22.274 -11.423 1.00 24.99 ? 371 TYR D CE1 1 ATOM 12520 C CE2 . TYR D 1 372 ? -16.972 24.555 -11.517 1.00 27.33 ? 371 TYR D CE2 1 ATOM 12521 C CZ . TYR D 1 372 ? -17.077 23.242 -11.946 1.00 26.94 ? 371 TYR D CZ 1 ATOM 12522 O OH . TYR D 1 372 ? -18.030 22.897 -12.898 1.00 27.14 ? 371 TYR D OH 1 ATOM 12523 N N . LEU D 1 373 ? -13.489 21.785 -7.275 1.00 21.40 ? 372 LEU D N 1 ATOM 12524 C CA . LEU D 1 373 ? -13.429 20.354 -7.065 1.00 21.41 ? 372 LEU D CA 1 ATOM 12525 C C . LEU D 1 373 ? -14.173 19.918 -5.792 1.00 21.47 ? 372 LEU D C 1 ATOM 12526 O O . LEU D 1 373 ? -14.867 18.907 -5.787 1.00 20.97 ? 372 LEU D O 1 ATOM 12527 C CB . LEU D 1 373 ? -11.966 19.896 -7.054 1.00 21.70 ? 372 LEU D CB 1 ATOM 12528 C CG . LEU D 1 373 ? -11.741 18.407 -6.865 1.00 21.98 ? 372 LEU D CG 1 ATOM 12529 C CD1 . LEU D 1 373 ? -12.331 17.585 -8.009 1.00 22.18 ? 372 LEU D CD1 1 ATOM 12530 C CD2 . LEU D 1 373 ? -10.240 18.137 -6.719 1.00 22.31 ? 372 LEU D CD2 1 ATOM 12531 N N . LYS D 1 374 ? -14.030 20.691 -4.718 1.00 22.33 ? 373 LYS D N 1 ATOM 12532 C CA . LYS D 1 374 ? -14.718 20.382 -3.473 1.00 24.12 ? 373 LYS D CA 1 ATOM 12533 C C . LYS D 1 374 ? -16.232 20.308 -3.663 1.00 25.94 ? 373 LYS D C 1 ATOM 12534 O O . LYS D 1 374 ? -16.884 19.406 -3.110 1.00 25.47 ? 373 LYS D O 1 ATOM 12535 C CB . LYS D 1 374 ? -14.393 21.420 -2.400 1.00 25.72 ? 373 LYS D CB 1 ATOM 12536 C CG . LYS D 1 374 ? -14.839 20.973 -1.018 1.00 27.65 ? 373 LYS D CG 1 ATOM 12537 C CD . LYS D 1 374 ? -14.544 22.012 0.035 1.00 29.72 ? 373 LYS D CD 1 ATOM 12538 C CE . LYS D 1 374 ? -14.852 21.459 1.410 1.00 31.43 ? 373 LYS D CE 1 ATOM 12539 N NZ . LYS D 1 374 ? -14.493 22.492 2.418 1.00 32.88 ? 373 LYS D NZ 1 ATOM 12540 N N . ARG D 1 375 ? -16.781 21.260 -4.422 1.00 27.25 ? 374 ARG D N 1 ATOM 12541 C CA A ARG D 1 375 ? -18.211 21.281 -4.707 0.50 29.18 ? 374 ARG D CA 1 ATOM 12542 C CA B ARG D 1 375 ? -18.221 21.285 -4.737 0.50 28.95 ? 374 ARG D CA 1 ATOM 12543 C C . ARG D 1 375 ? -18.631 20.044 -5.521 1.00 28.29 ? 374 ARG D C 1 ATOM 12544 O O . ARG D 1 375 ? -19.673 19.464 -5.260 1.00 27.82 ? 374 ARG D O 1 ATOM 12545 C CB A ARG D 1 375 ? -18.571 22.585 -5.427 0.50 31.53 ? 374 ARG D CB 1 ATOM 12546 C CB B ARG D 1 375 ? -18.613 22.543 -5.539 0.50 31.16 ? 374 ARG D CB 1 ATOM 12547 C CG A ARG D 1 375 ? -20.040 22.721 -5.809 0.50 35.14 ? 374 ARG D CG 1 ATOM 12548 C CG B ARG D 1 375 ? -19.937 22.397 -6.310 0.50 34.11 ? 374 ARG D CG 1 ATOM 12549 C CD A ARG D 1 375 ? -20.957 22.749 -4.600 0.50 37.79 ? 374 ARG D CD 1 ATOM 12550 C CD B ARG D 1 375 ? -20.303 23.598 -7.184 0.50 36.32 ? 374 ARG D CD 1 ATOM 12551 N NE A ARG D 1 375 ? -22.356 22.804 -5.015 0.50 41.33 ? 374 ARG D NE 1 ATOM 12552 N NE B ARG D 1 375 ? -21.217 23.231 -8.279 0.50 37.48 ? 374 ARG D NE 1 ATOM 12553 C CZ A ARG D 1 375 ? -23.027 21.766 -5.504 0.50 43.10 ? 374 ARG D CZ 1 ATOM 12554 C CZ B ARG D 1 375 ? -20.825 22.615 -9.393 0.50 37.87 ? 374 ARG D CZ 1 ATOM 12555 N NH1 A ARG D 1 375 ? -24.289 21.903 -5.867 0.50 45.94 ? 374 ARG D NH1 1 ATOM 12556 N NH1 B ARG D 1 375 ? -21.698 22.310 -10.346 0.50 39.42 ? 374 ARG D NH1 1 ATOM 12557 N NH2 A ARG D 1 375 ? -22.432 20.590 -5.644 0.50 43.67 ? 374 ARG D NH2 1 ATOM 12558 N NH2 B ARG D 1 375 ? -19.553 22.296 -9.552 0.50 36.51 ? 374 ARG D NH2 1 ATOM 12559 N N . VAL D 1 376 ? -17.808 19.640 -6.498 1.00 25.75 ? 375 VAL D N 1 ATOM 12560 C CA . VAL D 1 376 ? -18.089 18.446 -7.306 1.00 25.32 ? 375 VAL D CA 1 ATOM 12561 C C . VAL D 1 376 ? -18.122 17.188 -6.418 1.00 25.83 ? 375 VAL D C 1 ATOM 12562 O O . VAL D 1 376 ? -19.032 16.367 -6.534 1.00 25.59 ? 375 VAL D O 1 ATOM 12563 C CB . VAL D 1 376 ? -17.053 18.246 -8.455 1.00 24.78 ? 375 VAL D CB 1 ATOM 12564 C CG1 . VAL D 1 376 ? -17.264 16.924 -9.179 1.00 24.25 ? 375 VAL D CG1 1 ATOM 12565 C CG2 . VAL D 1 376 ? -17.146 19.376 -9.458 1.00 25.51 ? 375 VAL D CG2 1 ATOM 12566 N N . LEU D 1 377 ? -17.149 17.055 -5.516 1.00 24.59 ? 376 LEU D N 1 ATOM 12567 C CA . LEU D 1 377 ? -17.009 15.851 -4.712 1.00 24.69 ? 376 LEU D CA 1 ATOM 12568 C C . LEU D 1 377 ? -17.932 15.767 -3.488 1.00 27.60 ? 376 LEU D C 1 ATOM 12569 O O . LEU D 1 377 ? -18.529 14.714 -3.226 1.00 27.16 ? 376 LEU D O 1 ATOM 12570 C CB . LEU D 1 377 ? -15.558 15.734 -4.224 1.00 23.90 ? 376 LEU D CB 1 ATOM 12571 C CG . LEU D 1 377 ? -14.517 15.614 -5.327 1.00 22.74 ? 376 LEU D CG 1 ATOM 12572 C CD1 . LEU D 1 377 ? -13.129 15.464 -4.721 1.00 22.43 ? 376 LEU D CD1 1 ATOM 12573 C CD2 . LEU D 1 377 ? -14.814 14.428 -6.251 1.00 22.33 ? 376 LEU D CD2 1 ATOM 12574 N N . LEU D 1 378 ? -18.073 16.883 -2.769 1.00 29.58 ? 377 LEU D N 1 ATOM 12575 C CA . LEU D 1 378 ? -18.762 16.897 -1.481 1.00 32.52 ? 377 LEU D CA 1 ATOM 12576 C C . LEU D 1 378 ? -20.161 17.508 -1.560 1.00 35.21 ? 377 LEU D C 1 ATOM 12577 O O . LEU D 1 378 ? -20.916 17.406 -0.606 1.00 35.33 ? 377 LEU D O 1 ATOM 12578 C CB . LEU D 1 378 ? -17.939 17.664 -0.445 1.00 33.37 ? 377 LEU D CB 1 ATOM 12579 C CG . LEU D 1 378 ? -16.790 16.978 0.316 1.00 34.86 ? 377 LEU D CG 1 ATOM 12580 C CD1 . LEU D 1 378 ? -16.004 15.988 -0.501 1.00 33.88 ? 377 LEU D CD1 1 ATOM 12581 C CD2 . LEU D 1 378 ? -15.873 18.028 0.915 1.00 35.83 ? 377 LEU D CD2 1 ATOM 12582 N N . GLY D 1 379 ? -20.508 18.148 -2.670 1.00 38.49 ? 378 GLY D N 1 ATOM 12583 C CA . GLY D 1 379 ? -21.879 18.608 -2.882 1.00 45.46 ? 378 GLY D CA 1 ATOM 12584 C C . GLY D 1 379 ? -22.088 20.008 -2.361 1.00 52.72 ? 378 GLY D C 1 ATOM 12585 O O . GLY D 1 379 ? -21.133 20.643 -1.902 1.00 55.07 ? 378 GLY D O 1 ATOM 12586 N N . PRO D 1 380 ? -23.346 20.498 -2.415 1.00 63.33 ? 379 PRO D N 1 ATOM 12587 C CA . PRO D 1 380 ? -23.680 21.899 -2.109 1.00 68.46 ? 379 PRO D CA 1 ATOM 12588 C C . PRO D 1 380 ? -23.520 22.257 -0.629 1.00 71.36 ? 379 PRO D C 1 ATOM 12589 O O . PRO D 1 380 ? -23.535 21.370 0.225 1.00 71.93 ? 379 PRO D O 1 ATOM 12590 C CB . PRO D 1 380 ? -25.151 22.018 -2.542 1.00 68.96 ? 379 PRO D CB 1 ATOM 12591 C CG . PRO D 1 380 ? -25.698 20.631 -2.455 1.00 68.15 ? 379 PRO D CG 1 ATOM 12592 C CD . PRO D 1 380 ? -24.549 19.698 -2.731 1.00 66.40 ? 379 PRO D CD 1 HETATM 12593 C C1 . NAG E 2 . ? 14.279 3.253 34.518 1.00 37.63 ? 401 NAG A C1 1 HETATM 12594 C C2 . NAG E 2 . ? 15.469 3.886 33.819 1.00 39.11 ? 401 NAG A C2 1 HETATM 12595 C C3 . NAG E 2 . ? 15.747 5.281 34.376 1.00 41.92 ? 401 NAG A C3 1 HETATM 12596 C C4 . NAG E 2 . ? 14.472 6.112 34.363 1.00 42.77 ? 401 NAG A C4 1 HETATM 12597 C C5 . NAG E 2 . ? 13.352 5.329 35.049 1.00 43.03 ? 401 NAG A C5 1 HETATM 12598 C C6 . NAG E 2 . ? 12.018 6.058 35.071 1.00 42.75 ? 401 NAG A C6 1 HETATM 12599 C C7 . NAG E 2 . ? 17.399 2.678 32.999 1.00 40.75 ? 401 NAG A C7 1 HETATM 12600 C C8 . NAG E 2 . ? 18.576 1.800 33.342 1.00 42.64 ? 401 NAG A C8 1 HETATM 12601 N N2 . NAG E 2 . ? 16.617 3.032 34.006 1.00 39.12 ? 401 NAG A N2 1 HETATM 12602 O O3 . NAG E 2 . ? 16.686 5.946 33.572 1.00 42.87 ? 401 NAG A O3 1 HETATM 12603 O O4 . NAG E 2 . ? 14.746 7.342 34.994 1.00 45.32 ? 401 NAG A O4 1 HETATM 12604 O O5 . NAG E 2 . ? 13.199 4.129 34.303 1.00 39.33 ? 401 NAG A O5 1 HETATM 12605 O O6 . NAG E 2 . ? 11.599 6.277 33.742 1.00 42.74 ? 401 NAG A O6 1 HETATM 12606 O O7 . NAG E 2 . ? 17.192 3.041 31.835 1.00 40.08 ? 401 NAG A O7 1 HETATM 12607 C C1 . NAG F 2 . ? -7.660 -15.749 41.235 1.00 29.83 ? 402 NAG A C1 1 HETATM 12608 C C2 . NAG F 2 . ? -7.699 -15.584 42.761 1.00 33.07 ? 402 NAG A C2 1 HETATM 12609 C C3 . NAG F 2 . ? -7.457 -14.138 43.172 1.00 34.72 ? 402 NAG A C3 1 HETATM 12610 C C4 . NAG F 2 . ? -6.190 -13.620 42.527 1.00 35.60 ? 402 NAG A C4 1 HETATM 12611 C C5 . NAG F 2 . ? -6.249 -13.828 41.011 1.00 36.03 ? 402 NAG A C5 1 HETATM 12612 C C6 . NAG F 2 . ? -4.932 -13.353 40.381 1.00 36.36 ? 402 NAG A C6 1 HETATM 12613 C C7 . NAG F 2 . ? -9.218 -17.078 44.050 1.00 35.05 ? 402 NAG A C7 1 HETATM 12614 C C8 . NAG F 2 . ? -8.161 -18.068 44.374 1.00 32.84 ? 402 NAG A C8 1 HETATM 12615 N N2 . NAG F 2 . ? -8.976 -15.985 43.332 1.00 32.37 ? 402 NAG A N2 1 HETATM 12616 O O3 . NAG F 2 . ? -7.298 -14.126 44.570 1.00 35.47 ? 402 NAG A O3 1 HETATM 12617 O O4 . NAG F 2 . ? -6.047 -12.247 42.848 1.00 38.16 ? 402 NAG A O4 1 HETATM 12618 O O5 . NAG F 2 . ? -6.458 -15.211 40.745 1.00 31.24 ? 402 NAG A O5 1 HETATM 12619 O O6 . NAG F 2 . ? -4.807 -13.804 39.049 1.00 38.97 ? 402 NAG A O6 1 HETATM 12620 O O7 . NAG F 2 . ? -10.352 -17.308 44.481 1.00 45.92 ? 402 NAG A O7 1 HETATM 12621 C C1 A NAG G 2 . ? 3.743 -32.739 45.471 0.50 24.14 ? 403 NAG A C1 1 HETATM 12622 C C1 B NAG G 2 . ? 2.340 -30.915 46.223 0.50 22.86 ? 403 NAG A C1 1 HETATM 12623 C C2 A NAG G 2 . ? 4.516 -33.453 46.582 0.50 24.60 ? 403 NAG A C2 1 HETATM 12624 C C2 B NAG G 2 . ? 2.003 -32.416 46.326 0.50 24.21 ? 403 NAG A C2 1 HETATM 12625 C C3 A NAG G 2 . ? 4.499 -34.977 46.414 0.50 24.54 ? 403 NAG A C3 1 HETATM 12626 C C3 B NAG G 2 . ? 1.179 -32.800 47.559 0.50 24.41 ? 403 NAG A C3 1 HETATM 12627 C C4 A NAG G 2 . ? 3.083 -35.466 46.101 0.50 25.02 ? 403 NAG A C4 1 HETATM 12628 C C4 B NAG G 2 . ? 1.620 -32.049 48.806 0.50 24.00 ? 403 NAG A C4 1 HETATM 12629 C C5 A NAG G 2 . ? 2.487 -34.665 44.956 0.50 24.96 ? 403 NAG A C5 1 HETATM 12630 C C5 B NAG G 2 . ? 1.855 -30.569 48.522 0.50 23.49 ? 403 NAG A C5 1 HETATM 12631 C C6 A NAG G 2 . ? 1.071 -35.138 44.654 0.50 26.08 ? 403 NAG A C6 1 HETATM 12632 C C6 B NAG G 2 . ? 2.466 -29.868 49.732 0.50 23.75 ? 403 NAG A C6 1 HETATM 12633 C C7 A NAG G 2 . ? 6.383 -32.207 47.587 0.50 25.48 ? 403 NAG A C7 1 HETATM 12634 C C7 B NAG G 2 . ? 1.941 -33.472 44.150 0.50 26.55 ? 403 NAG A C7 1 HETATM 12635 C C8 A NAG G 2 . ? 7.822 -31.807 47.464 0.50 25.80 ? 403 NAG A C8 1 HETATM 12636 C C8 B NAG G 2 . ? 1.088 -33.962 43.011 0.50 27.50 ? 403 NAG A C8 1 HETATM 12637 N N2 A NAG G 2 . ? 5.887 -32.981 46.617 0.50 25.07 ? 403 NAG A N2 1 HETATM 12638 N N2 B NAG G 2 . ? 1.295 -32.908 45.164 0.50 25.12 ? 403 NAG A N2 1 HETATM 12639 O O3 A NAG G 2 . ? 5.003 -35.591 47.587 0.50 24.46 ? 403 NAG A O3 1 HETATM 12640 O O3 B NAG G 2 . ? 1.300 -34.191 47.778 0.50 25.20 ? 403 NAG A O3 1 HETATM 12641 O O4 A NAG G 2 . ? 3.038 -36.852 45.783 0.50 25.20 ? 403 NAG A O4 1 HETATM 12642 O O4 B NAG G 2 . ? 0.655 -32.211 49.833 0.50 24.74 ? 403 NAG A O4 1 HETATM 12643 O O5 A NAG G 2 . ? 2.456 -33.306 45.345 0.50 24.81 ? 403 NAG A O5 1 HETATM 12644 O O5 B NAG G 2 . ? 2.773 -30.400 47.470 0.50 22.64 ? 403 NAG A O5 1 HETATM 12645 O O6 A NAG G 2 . ? 0.394 -34.217 43.827 0.50 25.58 ? 403 NAG A O6 1 HETATM 12646 O O6 B NAG G 2 . ? 3.810 -29.524 49.439 0.50 23.61 ? 403 NAG A O6 1 HETATM 12647 O O7 A NAG G 2 . ? 5.747 -31.801 48.550 0.50 25.33 ? 403 NAG A O7 1 HETATM 12648 O O7 B NAG G 2 . ? 3.172 -33.584 44.131 0.50 27.68 ? 403 NAG A O7 1 HETATM 12649 C C1 . NAG H 2 . ? -7.542 -30.439 9.558 1.00 31.56 ? 404 NAG A C1 1 HETATM 12650 C C2 . NAG H 2 . ? -6.738 -31.711 9.748 1.00 33.49 ? 404 NAG A C2 1 HETATM 12651 C C3 . NAG H 2 . ? -7.659 -32.903 9.857 1.00 34.35 ? 404 NAG A C3 1 HETATM 12652 C C4 . NAG H 2 . ? -8.691 -32.623 10.933 1.00 34.07 ? 404 NAG A C4 1 HETATM 12653 C C5 . NAG H 2 . ? -9.435 -31.333 10.594 1.00 33.58 ? 404 NAG A C5 1 HETATM 12654 C C6 . NAG H 2 . ? -10.590 -31.024 11.553 1.00 32.65 ? 404 NAG A C6 1 HETATM 12655 C C7 . NAG H 2 . ? -4.542 -32.070 8.801 1.00 39.52 ? 404 NAG A C7 1 HETATM 12656 C C8 . NAG H 2 . ? -3.663 -32.171 7.579 1.00 41.13 ? 404 NAG A C8 1 HETATM 12657 N N2 . NAG H 2 . ? -5.835 -31.821 8.617 1.00 35.65 ? 404 NAG A N2 1 HETATM 12658 O O3 . NAG H 2 . ? -6.899 -34.022 10.217 1.00 34.84 ? 404 NAG A O3 1 HETATM 12659 O O4 . NAG H 2 . ? -9.598 -33.705 10.984 1.00 36.04 ? 404 NAG A O4 1 HETATM 12660 O O5 . NAG H 2 . ? -8.485 -30.274 10.592 1.00 29.34 ? 404 NAG A O5 1 HETATM 12661 O O6 . NAG H 2 . ? -10.026 -30.972 12.830 1.00 36.27 ? 404 NAG A O6 1 HETATM 12662 O O7 . NAG H 2 . ? -4.059 -32.225 9.925 1.00 41.78 ? 404 NAG A O7 1 HETATM 12663 N N1 . EPE I 3 . ? 23.029 -7.549 10.466 1.00 39.74 ? 405 EPE A N1 1 HETATM 12664 C C2 . EPE I 3 . ? 22.547 -6.166 10.301 1.00 40.57 ? 405 EPE A C2 1 HETATM 12665 C C3 . EPE I 3 . ? 22.098 -5.979 8.861 1.00 41.31 ? 405 EPE A C3 1 HETATM 12666 N N4 . EPE I 3 . ? 23.265 -6.131 7.974 1.00 44.16 ? 405 EPE A N4 1 HETATM 12667 C C5 . EPE I 3 . ? 23.890 -7.462 8.132 1.00 42.32 ? 405 EPE A C5 1 HETATM 12668 C C6 . EPE I 3 . ? 24.209 -7.766 9.596 1.00 41.40 ? 405 EPE A C6 1 HETATM 12669 C C7 . EPE I 3 . ? 22.804 -5.926 6.593 1.00 48.03 ? 405 EPE A C7 1 HETATM 12670 C C8 . EPE I 3 . ? 23.010 -4.464 6.228 1.00 53.14 ? 405 EPE A C8 1 HETATM 12671 O O8 . EPE I 3 . ? 24.309 -4.320 5.624 1.00 59.88 ? 405 EPE A O8 1 HETATM 12672 C C9 . EPE I 3 . ? 23.366 -7.721 11.885 1.00 38.24 ? 405 EPE A C9 1 HETATM 12673 C C10 . EPE I 3 . ? 23.471 -9.180 12.272 1.00 38.61 ? 405 EPE A C10 1 HETATM 12674 S S . EPE I 3 . ? 23.995 -9.305 13.862 1.00 37.98 ? 405 EPE A S 1 HETATM 12675 O O1S . EPE I 3 . ? 25.367 -8.754 13.937 1.00 40.23 ? 405 EPE A O1S 1 HETATM 12676 O O2S . EPE I 3 . ? 24.001 -10.758 14.139 1.00 38.34 ? 405 EPE A O2S 1 HETATM 12677 O O3S . EPE I 3 . ? 23.046 -8.570 14.739 1.00 36.09 ? 405 EPE A O3S 1 HETATM 12678 CL CL . CL J 4 . ? -25.241 -12.415 17.288 1.00 41.44 ? 406 CL A CL 1 HETATM 12679 P P . PO4 K 5 . ? -23.814 -8.507 24.610 0.70 46.01 ? 407 PO4 A P 1 HETATM 12680 O O1 . PO4 K 5 . ? -23.465 -9.581 23.649 0.70 32.71 ? 407 PO4 A O1 1 HETATM 12681 O O2 . PO4 K 5 . ? -24.743 -9.065 25.691 0.70 44.62 ? 407 PO4 A O2 1 HETATM 12682 O O3 . PO4 K 5 . ? -24.634 -7.369 23.999 0.70 43.91 ? 407 PO4 A O3 1 HETATM 12683 O O4 . PO4 K 5 . ? -22.508 -8.017 25.245 0.70 43.14 ? 407 PO4 A O4 1 HETATM 12684 C C1 . MPD L 6 . ? 6.974 -17.868 22.484 1.00 41.92 ? 408 MPD A C1 1 HETATM 12685 C C2 . MPD L 6 . ? 7.868 -19.057 22.832 1.00 43.41 ? 408 MPD A C2 1 HETATM 12686 O O2 . MPD L 6 . ? 9.220 -18.630 22.615 1.00 42.97 ? 408 MPD A O2 1 HETATM 12687 C CM . MPD L 6 . ? 7.746 -19.441 24.299 1.00 43.78 ? 408 MPD A CM 1 HETATM 12688 C C3 . MPD L 6 . ? 7.554 -20.223 21.887 1.00 42.78 ? 408 MPD A C3 1 HETATM 12689 C C4 . MPD L 6 . ? 8.339 -21.507 22.170 1.00 44.92 ? 408 MPD A C4 1 HETATM 12690 O O4 . MPD L 6 . ? 7.715 -22.214 23.249 1.00 44.96 ? 408 MPD A O4 1 HETATM 12691 C C5 . MPD L 6 . ? 8.397 -22.446 20.962 1.00 45.91 ? 408 MPD A C5 1 HETATM 12692 C C1 . MPD M 6 . ? 4.111 -20.678 25.828 1.00 43.03 ? 409 MPD A C1 1 HETATM 12693 C C2 . MPD M 6 . ? 3.561 -19.661 24.830 1.00 43.25 ? 409 MPD A C2 1 HETATM 12694 O O2 . MPD M 6 . ? 3.786 -18.328 25.337 1.00 45.17 ? 409 MPD A O2 1 HETATM 12695 C CM . MPD M 6 . ? 4.285 -19.835 23.497 1.00 40.29 ? 409 MPD A CM 1 HETATM 12696 C C3 . MPD M 6 . ? 2.056 -19.905 24.679 1.00 42.16 ? 409 MPD A C3 1 HETATM 12697 C C4 . MPD M 6 . ? 1.354 -18.945 23.724 1.00 41.92 ? 409 MPD A C4 1 HETATM 12698 O O4 . MPD M 6 . ? 2.059 -18.861 22.477 1.00 43.29 ? 409 MPD A O4 1 HETATM 12699 C C5 . MPD M 6 . ? -0.085 -19.414 23.477 1.00 39.82 ? 409 MPD A C5 1 HETATM 12700 C C1 . MPD N 6 . ? 8.798 -20.597 15.449 1.00 54.09 ? 410 MPD A C1 1 HETATM 12701 C C2 . MPD N 6 . ? 9.151 -20.957 14.014 1.00 55.44 ? 410 MPD A C2 1 HETATM 12702 O O2 . MPD N 6 . ? 8.958 -22.365 13.859 1.00 53.88 ? 410 MPD A O2 1 HETATM 12703 C CM . MPD N 6 . ? 8.222 -20.238 13.045 1.00 55.96 ? 410 MPD A CM 1 HETATM 12704 C C3 . MPD N 6 . ? 10.604 -20.597 13.689 1.00 55.44 ? 410 MPD A C3 1 HETATM 12705 C C4 . MPD N 6 . ? 11.626 -21.366 14.526 1.00 58.42 ? 410 MPD A C4 1 HETATM 12706 O O4 . MPD N 6 . ? 11.595 -22.742 14.149 1.00 57.66 ? 410 MPD A O4 1 HETATM 12707 C C5 . MPD N 6 . ? 13.044 -20.842 14.332 1.00 58.78 ? 410 MPD A C5 1 HETATM 12708 C C1 . MPD O 6 . ? 10.923 -20.362 18.678 1.00 63.56 ? 411 MPD A C1 1 HETATM 12709 C C2 . MPD O 6 . ? 12.350 -20.226 19.175 1.00 63.30 ? 411 MPD A C2 1 HETATM 12710 O O2 . MPD O 6 . ? 12.776 -21.550 19.505 1.00 70.87 ? 411 MPD A O2 1 HETATM 12711 C CM . MPD O 6 . ? 13.266 -19.675 18.090 1.00 63.51 ? 411 MPD A CM 1 HETATM 12712 C C3 . MPD O 6 . ? 12.455 -19.417 20.463 1.00 60.77 ? 411 MPD A C3 1 HETATM 12713 C C4 . MPD O 6 . ? 11.594 -18.159 20.534 1.00 60.21 ? 411 MPD A C4 1 HETATM 12714 O O4 . MPD O 6 . ? 11.707 -17.556 21.825 1.00 58.09 ? 411 MPD A O4 1 HETATM 12715 C C5 . MPD O 6 . ? 11.998 -17.095 19.538 1.00 58.34 ? 411 MPD A C5 1 HETATM 12716 C C1 . MPD P 6 . ? 13.955 3.575 28.633 1.00 48.67 ? 412 MPD A C1 1 HETATM 12717 C C2 . MPD P 6 . ? 14.191 5.016 28.261 1.00 47.39 ? 412 MPD A C2 1 HETATM 12718 O O2 . MPD P 6 . ? 12.985 5.525 27.700 1.00 45.14 ? 412 MPD A O2 1 HETATM 12719 C CM . MPD P 6 . ? 14.522 5.798 29.514 1.00 49.30 ? 412 MPD A CM 1 HETATM 12720 C C3 . MPD P 6 . ? 15.372 5.138 27.302 1.00 47.63 ? 412 MPD A C3 1 HETATM 12721 C C4 . MPD P 6 . ? 15.123 4.718 25.850 1.00 47.72 ? 412 MPD A C4 1 HETATM 12722 O O4 . MPD P 6 . ? 13.955 5.332 25.287 1.00 46.03 ? 412 MPD A O4 1 HETATM 12723 C C5 . MPD P 6 . ? 16.321 5.104 24.991 1.00 47.26 ? 412 MPD A C5 1 HETATM 12724 C C1 . NAG Q 2 . ? -14.387 19.456 44.586 1.00 45.50 ? 401 NAG B C1 1 HETATM 12725 C C2 . NAG Q 2 . ? -15.819 19.004 44.349 1.00 48.05 ? 401 NAG B C2 1 HETATM 12726 C C3 . NAG Q 2 . ? -16.284 18.030 45.428 1.00 51.91 ? 401 NAG B C3 1 HETATM 12727 C C4 . NAG Q 2 . ? -15.247 16.925 45.622 1.00 52.03 ? 401 NAG B C4 1 HETATM 12728 C C5 . NAG Q 2 . ? -13.896 17.576 45.905 1.00 51.34 ? 401 NAG B C5 1 HETATM 12729 C C6 . NAG Q 2 . ? -12.775 16.586 46.216 1.00 51.39 ? 401 NAG B C6 1 HETATM 12730 C C7 . NAG Q 2 . ? -17.434 20.507 43.279 1.00 50.19 ? 401 NAG B C7 1 HETATM 12731 C C8 . NAG Q 2 . ? -18.208 21.786 43.372 1.00 51.95 ? 401 NAG B C8 1 HETATM 12732 N N2 . NAG Q 2 . ? -16.639 20.207 44.310 1.00 49.36 ? 401 NAG B N2 1 HETATM 12733 O O3 . NAG Q 2 . ? -17.547 17.508 45.074 1.00 51.53 ? 401 NAG B O3 1 HETATM 12734 O O4 . NAG Q 2 . ? -15.622 16.160 46.739 1.00 56.87 ? 401 NAG B O4 1 HETATM 12735 O O5 . NAG Q 2 . ? -13.537 18.341 44.779 1.00 46.82 ? 401 NAG B O5 1 HETATM 12736 O O6 . NAG Q 2 . ? -12.654 15.675 45.154 1.00 52.72 ? 401 NAG B O6 1 HETATM 12737 O O7 . NAG Q 2 . ? -17.564 19.794 42.283 1.00 48.25 ? 401 NAG B O7 1 HETATM 12738 C C1 . NAG R 2 . ? 11.707 32.459 44.088 1.00 36.61 ? 402 NAG B C1 1 HETATM 12739 C C2 . NAG R 2 . ? 11.869 32.670 45.605 1.00 39.19 ? 402 NAG B C2 1 HETATM 12740 C C3 . NAG R 2 . ? 11.290 31.483 46.366 1.00 41.01 ? 402 NAG B C3 1 HETATM 12741 C C4 . NAG R 2 . ? 9.863 31.193 45.936 1.00 40.61 ? 402 NAG B C4 1 HETATM 12742 C C5 . NAG R 2 . ? 9.718 31.109 44.417 1.00 38.84 ? 402 NAG B C5 1 HETATM 12743 C C6 . NAG R 2 . ? 8.238 31.032 44.018 1.00 40.11 ? 402 NAG B C6 1 HETATM 12744 C C7 . NAG R 2 . ? 13.786 33.932 46.642 1.00 41.97 ? 402 NAG B C7 1 HETATM 12745 C C8 . NAG R 2 . ? 13.029 35.170 46.995 1.00 39.22 ? 402 NAG B C8 1 HETATM 12746 N N2 . NAG R 2 . ? 13.250 32.855 46.031 1.00 39.40 ? 402 NAG B N2 1 HETATM 12747 O O3 . NAG R 2 . ? 11.293 31.762 47.753 1.00 44.07 ? 402 NAG B O3 1 HETATM 12748 O O4 . NAG R 2 . ? 9.503 29.968 46.518 1.00 40.93 ? 402 NAG B O4 1 HETATM 12749 O O5 . NAG R 2 . ? 10.322 32.237 43.803 1.00 35.08 ? 402 NAG B O5 1 HETATM 12750 O O6 . NAG R 2 . ? 8.058 30.960 42.601 1.00 40.80 ? 402 NAG B O6 1 HETATM 12751 O O7 . NAG R 2 . ? 14.977 33.947 46.967 1.00 51.68 ? 402 NAG B O7 1 HETATM 12752 C C1 A NAG S 2 . ? 7.329 51.707 44.818 0.50 29.18 ? 403 NAG B C1 1 HETATM 12753 C C1 B NAG S 2 . ? 5.888 52.556 45.886 0.50 27.67 ? 403 NAG B C1 1 HETATM 12754 C C2 A NAG S 2 . ? 8.444 51.927 45.854 0.50 30.03 ? 403 NAG B C2 1 HETATM 12755 C C2 B NAG S 2 . ? 5.584 53.458 47.081 0.50 27.07 ? 403 NAG B C2 1 HETATM 12756 C C3 A NAG S 2 . ? 9.445 52.970 45.360 0.50 30.38 ? 403 NAG B C3 1 HETATM 12757 C C3 B NAG S 2 . ? 6.055 54.910 46.912 0.50 28.06 ? 403 NAG B C3 1 HETATM 12758 C C4 A NAG S 2 . ? 9.973 52.634 43.977 0.50 30.04 ? 403 NAG B C4 1 HETATM 12759 C C4 B NAG S 2 . ? 7.491 54.939 46.442 0.50 28.53 ? 403 NAG B C4 1 HETATM 12760 C C5 A NAG S 2 . ? 8.770 52.460 43.070 0.50 28.83 ? 403 NAG B C5 1 HETATM 12761 C C5 B NAG S 2 . ? 7.615 54.103 45.175 0.50 29.10 ? 403 NAG B C5 1 HETATM 12762 C C6 A NAG S 2 . ? 9.185 52.095 41.645 0.50 28.30 ? 403 NAG B C6 1 HETATM 12763 C C6 B NAG S 2 . ? 9.066 54.055 44.720 0.50 29.44 ? 403 NAG B C6 1 HETATM 12764 C C7 A NAG S 2 . ? 8.243 51.654 48.252 0.50 31.83 ? 403 NAG B C7 1 HETATM 12765 C C7 B NAG S 2 . ? 3.537 53.237 48.367 0.50 25.80 ? 403 NAG B C7 1 HETATM 12766 C C8 A NAG S 2 . ? 9.025 50.412 48.030 0.50 31.52 ? 403 NAG B C8 1 HETATM 12767 C C8 B NAG S 2 . ? 4.315 52.561 49.451 0.50 24.95 ? 403 NAG B C8 1 HETATM 12768 N N2 A NAG S 2 . ? 7.969 52.365 47.151 0.50 30.91 ? 403 NAG B N2 1 HETATM 12769 N N2 B NAG S 2 . ? 4.164 53.601 47.275 0.50 26.94 ? 403 NAG B N2 1 HETATM 12770 O O3 A NAG S 2 . ? 10.513 53.112 46.273 0.50 31.79 ? 403 NAG B O3 1 HETATM 12771 O O3 B NAG S 2 . ? 5.912 55.670 48.110 0.50 27.34 ? 403 NAG B O3 1 HETATM 12772 O O4 A NAG S 2 . ? 10.793 53.692 43.514 0.50 31.54 ? 403 NAG B O4 1 HETATM 12773 O O4 B NAG S 2 . ? 7.849 56.287 46.243 0.50 28.80 ? 403 NAG B O4 1 HETATM 12774 O O5 A NAG S 2 . ? 7.980 51.417 43.602 0.50 28.45 ? 403 NAG B O5 1 HETATM 12775 O O5 B NAG S 2 . ? 7.216 52.764 45.434 0.50 28.02 ? 403 NAG B O5 1 HETATM 12776 O O6 A NAG S 2 . ? 9.998 50.943 41.671 0.50 27.21 ? 403 NAG B O6 1 HETATM 12777 O O6 B NAG S 2 . ? 9.832 53.725 45.858 0.50 30.36 ? 403 NAG B O6 1 HETATM 12778 O O7 A NAG S 2 . ? 7.896 51.959 49.392 0.50 32.46 ? 403 NAG B O7 1 HETATM 12779 O O7 B NAG S 2 . ? 2.331 53.417 48.463 0.50 28.60 ? 403 NAG B O7 1 HETATM 12780 C C1 . NAG T 2 . ? 10.525 39.800 9.624 1.00 35.52 ? 404 NAG B C1 1 HETATM 12781 C C2 . NAG T 2 . ? 10.054 41.224 9.751 1.00 37.74 ? 404 NAG B C2 1 HETATM 12782 C C3 . NAG T 2 . ? 11.235 42.147 9.496 1.00 40.11 ? 404 NAG B C3 1 HETATM 12783 C C4 . NAG T 2 . ? 12.376 41.807 10.444 1.00 40.26 ? 404 NAG B C4 1 HETATM 12784 C C5 . NAG T 2 . ? 12.695 40.313 10.496 1.00 39.14 ? 404 NAG B C5 1 HETATM 12785 C C6 . NAG T 2 . ? 13.561 40.062 11.734 1.00 39.03 ? 404 NAG B C6 1 HETATM 12786 C C7 . NAG T 2 . ? 7.989 42.203 8.927 1.00 45.29 ? 404 NAG B C7 1 HETATM 12787 C C8 . NAG T 2 . ? 7.022 42.324 7.779 1.00 47.54 ? 404 NAG B C8 1 HETATM 12788 N N2 . NAG T 2 . ? 9.042 41.418 8.743 1.00 41.23 ? 404 NAG B N2 1 HETATM 12789 O O3 . NAG T 2 . ? 10.854 43.467 9.786 1.00 39.21 ? 404 NAG B O3 1 HETATM 12790 O O4 . NAG T 2 . ? 13.548 42.483 10.057 1.00 41.20 ? 404 NAG B O4 1 HETATM 12791 O O5 . NAG T 2 . ? 11.504 39.555 10.610 1.00 35.44 ? 404 NAG B O5 1 HETATM 12792 O O6 . NAG T 2 . ? 14.288 38.903 11.470 1.00 45.42 ? 404 NAG B O6 1 HETATM 12793 O O7 . NAG T 2 . ? 7.802 42.822 9.968 1.00 48.70 ? 404 NAG B O7 1 HETATM 12794 N N1 . EPE U 3 . ? -24.375 27.055 19.531 1.00 66.87 ? 405 EPE B N1 1 HETATM 12795 C C2 . EPE U 3 . ? -24.262 25.596 19.514 1.00 66.75 ? 405 EPE B C2 1 HETATM 12796 C C3 . EPE U 3 . ? -24.165 25.113 18.077 1.00 69.19 ? 405 EPE B C3 1 HETATM 12797 N N4 . EPE U 3 . ? -25.328 25.537 17.271 1.00 71.01 ? 405 EPE B N4 1 HETATM 12798 C C5 . EPE U 3 . ? -25.563 26.985 17.408 1.00 70.10 ? 405 EPE B C5 1 HETATM 12799 C C6 . EPE U 3 . ? -25.644 27.403 18.869 1.00 69.21 ? 405 EPE B C6 1 HETATM 12800 C C7 . EPE U 3 . ? -25.122 25.260 15.829 1.00 77.22 ? 405 EPE B C7 1 HETATM 12801 C C8 . EPE U 3 . ? -24.607 23.852 15.526 1.00 77.52 ? 405 EPE B C8 1 HETATM 12802 O O8 . EPE U 3 . ? -25.339 22.890 16.293 1.00 81.94 ? 405 EPE B O8 1 HETATM 12803 C C9 . EPE U 3 . ? -24.376 27.495 20.931 1.00 65.07 ? 405 EPE B C9 1 HETATM 12804 C C10 . EPE U 3 . ? -24.049 28.974 21.033 1.00 64.67 ? 405 EPE B C10 1 HETATM 12805 S S . EPE U 3 . ? -24.446 29.534 22.548 1.00 65.19 ? 405 EPE B S 1 HETATM 12806 O O1S . EPE U 3 . ? -25.867 29.271 22.877 1.00 66.54 ? 405 EPE B O1S 1 HETATM 12807 O O2S . EPE U 3 . ? -24.254 30.999 22.572 1.00 63.94 ? 405 EPE B O2S 1 HETATM 12808 O O3S . EPE U 3 . ? -23.618 28.834 23.544 1.00 61.02 ? 405 EPE B O3S 1 HETATM 12809 CL CL . CL V 4 . ? 23.982 19.509 19.552 1.00 40.62 ? 406 CL B CL 1 HETATM 12810 P P . PO4 W 5 . ? 22.991 17.289 27.837 0.70 33.98 ? 407 PO4 B P 1 HETATM 12811 O O1 . PO4 W 5 . ? 22.797 17.927 26.487 0.70 31.51 ? 407 PO4 B O1 1 HETATM 12812 O O2 . PO4 W 5 . ? 24.138 17.908 28.585 0.70 35.48 ? 407 PO4 B O2 1 HETATM 12813 O O3 . PO4 W 5 . ? 23.323 15.819 27.709 0.70 34.88 ? 407 PO4 B O3 1 HETATM 12814 O O4 . PO4 W 5 . ? 21.738 17.506 28.665 0.70 33.35 ? 407 PO4 B O4 1 HETATM 12815 C C1 . MPD X 6 . ? -4.328 34.667 26.305 1.00 41.62 ? 408 MPD B C1 1 HETATM 12816 C C2 . MPD X 6 . ? -4.844 36.076 26.598 1.00 42.99 ? 408 MPD B C2 1 HETATM 12817 O O2 . MPD X 6 . ? -6.279 36.020 26.568 1.00 36.06 ? 408 MPD B O2 1 HETATM 12818 C CM . MPD X 6 . ? -4.411 36.507 27.997 1.00 42.66 ? 408 MPD B CM 1 HETATM 12819 C C3 . MPD X 6 . ? -4.327 36.999 25.486 1.00 45.23 ? 408 MPD B C3 1 HETATM 12820 C C4 . MPD X 6 . ? -4.768 38.451 25.583 1.00 50.36 ? 408 MPD B C4 1 HETATM 12821 O O4 . MPD X 6 . ? -3.609 39.223 25.898 1.00 51.92 ? 408 MPD B O4 1 HETATM 12822 C C5 . MPD X 6 . ? -5.363 38.977 24.276 1.00 53.74 ? 408 MPD B C5 1 HETATM 12823 C C1 . MPD Y 6 . ? -1.017 36.470 27.085 1.00 53.51 ? 409 MPD B C1 1 HETATM 12824 C C2 . MPD Y 6 . ? -0.263 35.891 28.279 1.00 52.70 ? 409 MPD B C2 1 HETATM 12825 O O2 . MPD Y 6 . ? -0.291 36.823 29.367 1.00 54.07 ? 409 MPD B O2 1 HETATM 12826 C CM . MPD Y 6 . ? -0.909 34.605 28.784 1.00 53.17 ? 409 MPD B CM 1 HETATM 12827 C C3 . MPD Y 6 . ? 1.210 35.701 27.931 1.00 54.31 ? 409 MPD B C3 1 HETATM 12828 C C4 . MPD Y 6 . ? 1.520 34.435 27.129 1.00 54.42 ? 409 MPD B C4 1 HETATM 12829 O O4 . MPD Y 6 . ? 0.577 34.218 26.072 1.00 53.00 ? 409 MPD B O4 1 HETATM 12830 C C5 . MPD Y 6 . ? 2.945 34.515 26.580 1.00 52.13 ? 409 MPD B C5 1 HETATM 12831 C C1 . NAG Z 2 . ? -17.465 -18.505 -43.869 1.00 41.93 ? 401 NAG C C1 1 HETATM 12832 C C2 . NAG Z 2 . ? -18.840 -18.000 -43.459 1.00 44.96 ? 401 NAG C C2 1 HETATM 12833 C C3 . NAG Z 2 . ? -19.358 -17.053 -44.530 1.00 48.76 ? 401 NAG C C3 1 HETATM 12834 C C4 . NAG Z 2 . ? -18.379 -15.913 -44.786 1.00 48.93 ? 401 NAG C C4 1 HETATM 12835 C C5 . NAG Z 2 . ? -16.919 -16.341 -44.869 1.00 48.46 ? 401 NAG C C5 1 HETATM 12836 C C6 . NAG Z 2 . ? -16.108 -15.091 -44.531 1.00 49.38 ? 401 NAG C C6 1 HETATM 12837 C C7 . NAG Z 2 . ? -20.524 -19.306 -42.235 1.00 45.08 ? 401 NAG C C7 1 HETATM 12838 C C8 . NAG Z 2 . ? -21.404 -20.521 -42.229 1.00 46.72 ? 401 NAG C C8 1 HETATM 12839 N N2 . NAG Z 2 . ? -19.749 -19.121 -43.310 1.00 44.81 ? 401 NAG C N2 1 HETATM 12840 O O3 . NAG Z 2 . ? -20.597 -16.512 -44.119 1.00 49.22 ? 401 NAG C O3 1 HETATM 12841 O O4 . NAG Z 2 . ? -18.706 -15.305 -46.014 1.00 50.92 ? 401 NAG C O4 1 HETATM 12842 O O5 . NAG Z 2 . ? -16.590 -17.386 -43.956 1.00 44.56 ? 401 NAG C O5 1 HETATM 12843 O O6 . NAG Z 2 . ? -14.804 -15.206 -45.037 1.00 54.93 ? 401 NAG C O6 1 HETATM 12844 O O7 . NAG Z 2 . ? -20.560 -18.540 -41.275 1.00 44.53 ? 401 NAG C O7 1 HETATM 12845 C C1 . NAG AA 2 . ? 8.047 -32.575 -44.458 1.00 34.48 ? 402 NAG C C1 1 HETATM 12846 C C2 . NAG AA 2 . ? 8.101 -32.857 -45.984 1.00 37.49 ? 402 NAG C C2 1 HETATM 12847 C C3 . NAG AA 2 . ? 7.595 -31.622 -46.726 1.00 39.43 ? 402 NAG C C3 1 HETATM 12848 C C4 . NAG AA 2 . ? 6.207 -31.247 -46.231 1.00 39.91 ? 402 NAG C C4 1 HETATM 12849 C C5 . NAG AA 2 . ? 6.165 -31.090 -44.707 1.00 39.71 ? 402 NAG C C5 1 HETATM 12850 C C6 . NAG AA 2 . ? 4.714 -30.901 -44.243 1.00 41.42 ? 402 NAG C C6 1 HETATM 12851 C C7 . NAG AA 2 . ? 9.819 -34.283 -47.098 1.00 40.77 ? 402 NAG C C7 1 HETATM 12852 C C8 . NAG AA 2 . ? 11.254 -34.345 -47.550 1.00 42.00 ? 402 NAG C C8 1 HETATM 12853 N N2 . NAG AA 2 . ? 9.435 -33.150 -46.486 1.00 37.08 ? 402 NAG C N2 1 HETATM 12854 O O3 . NAG AA 2 . ? 7.583 -31.870 -48.128 1.00 40.60 ? 402 NAG C O3 1 HETATM 12855 O O4 . NAG AA 2 . ? 5.824 -30.029 -46.814 1.00 42.82 ? 402 NAG C O4 1 HETATM 12856 O O5 . NAG AA 2 . ? 6.718 -32.246 -44.095 1.00 34.56 ? 402 NAG C O5 1 HETATM 12857 O O6 . NAG AA 2 . ? 4.596 -30.752 -42.826 1.00 43.37 ? 402 NAG C O6 1 HETATM 12858 O O7 . NAG AA 2 . ? 9.098 -35.267 -47.319 1.00 41.16 ? 402 NAG C O7 1 HETATM 12859 C C1 A NAG BA 2 . ? 1.189 -52.412 -46.040 0.50 27.98 ? 403 NAG C C1 1 HETATM 12860 C C1 B NAG BA 2 . ? 2.659 -51.649 -45.107 0.50 28.68 ? 403 NAG C C1 1 HETATM 12861 C C2 A NAG BA 2 . ? 0.790 -53.276 -47.254 0.50 27.56 ? 403 NAG C C2 1 HETATM 12862 C C2 B NAG BA 2 . ? 3.703 -51.962 -46.179 0.50 29.28 ? 403 NAG C C2 1 HETATM 12863 C C3 A NAG BA 2 . ? 1.143 -54.753 -47.086 0.50 28.70 ? 403 NAG C C3 1 HETATM 12864 C C3 B NAG BA 2 . ? 4.625 -53.064 -45.692 0.50 29.90 ? 403 NAG C C3 1 HETATM 12865 C C4 A NAG BA 2 . ? 2.599 -54.859 -46.687 0.50 29.25 ? 403 NAG C C4 1 HETATM 12866 C C4 B NAG BA 2 . ? 5.198 -52.791 -44.310 0.50 29.84 ? 403 NAG C C4 1 HETATM 12867 C C5 A NAG BA 2 . ? 2.885 -54.005 -45.452 0.50 29.70 ? 403 NAG C C5 1 HETATM 12868 C C5 B NAG BA 2 . ? 4.067 -52.502 -43.347 0.50 29.41 ? 403 NAG C C5 1 HETATM 12869 C C6 A NAG BA 2 . ? 4.360 -54.059 -45.080 0.50 30.25 ? 403 NAG C C6 1 HETATM 12870 C C6 B NAG BA 2 . ? 4.577 -52.064 -41.967 0.50 29.15 ? 403 NAG C C6 1 HETATM 12871 C C7 A NAG BA 2 . ? -1.041 -52.694 -48.751 0.50 27.75 ? 403 NAG C C7 1 HETATM 12872 C C7 B NAG BA 2 . ? 3.265 -51.802 -48.572 0.50 30.68 ? 403 NAG C C7 1 HETATM 12873 C C8 A NAG BA 2 . ? -2.513 -52.669 -48.968 0.50 28.11 ? 403 NAG C C8 1 HETATM 12874 C C8 B NAG BA 2 . ? 2.653 -52.433 -49.788 0.50 31.07 ? 403 NAG C C8 1 HETATM 12875 N N2 A NAG BA 2 . ? -0.619 -53.197 -47.589 0.50 27.48 ? 403 NAG C N2 1 HETATM 12876 N N2 B NAG BA 2 . ? 3.136 -52.459 -47.416 0.50 29.58 ? 403 NAG C N2 1 HETATM 12877 O O3 A NAG BA 2 . ? 0.953 -55.477 -48.299 0.50 28.16 ? 403 NAG C O3 1 HETATM 12878 O O3 B NAG BA 2 . ? 5.657 -53.253 -46.635 0.50 31.00 ? 403 NAG C O3 1 HETATM 12879 O O4 A NAG BA 2 . ? 2.869 -56.221 -46.492 0.50 29.68 ? 403 NAG C O4 1 HETATM 12880 O O4 B NAG BA 2 . ? 5.867 -53.943 -43.861 0.50 31.62 ? 403 NAG C O4 1 HETATM 12881 O O5 A NAG BA 2 . ? 2.556 -52.647 -45.723 0.50 29.03 ? 403 NAG C O5 1 HETATM 12882 O O5 B NAG BA 2 . ? 3.326 -51.435 -43.879 0.50 28.74 ? 403 NAG C O5 1 HETATM 12883 O O6 A NAG BA 2 . ? 5.094 -53.851 -46.263 0.50 31.27 ? 403 NAG C O6 1 HETATM 12884 O O6 B NAG BA 2 . ? 5.624 -51.119 -42.090 0.50 28.04 ? 403 NAG C O6 1 HETATM 12885 O O7 A NAG BA 2 . ? -0.312 -52.225 -49.619 0.50 27.43 ? 403 NAG C O7 1 HETATM 12886 O O7 B NAG BA 2 . ? 3.833 -50.719 -48.664 0.50 30.49 ? 403 NAG C O7 1 HETATM 12887 C C1 . NAG CA 2 . ? 8.103 -39.917 -9.993 1.00 30.96 ? 404 NAG C C1 1 HETATM 12888 C C2 . NAG CA 2 . ? 7.594 -41.334 -10.063 1.00 33.06 ? 404 NAG C C2 1 HETATM 12889 C C3 . NAG CA 2 . ? 8.752 -42.310 -9.920 1.00 35.39 ? 404 NAG C C3 1 HETATM 12890 C C4 . NAG CA 2 . ? 9.880 -41.953 -10.887 1.00 34.41 ? 404 NAG C C4 1 HETATM 12891 C C5 . NAG CA 2 . ? 10.242 -40.474 -10.742 1.00 32.60 ? 404 NAG C C5 1 HETATM 12892 C C6 . NAG CA 2 . ? 11.382 -40.007 -11.639 1.00 31.62 ? 404 NAG C C6 1 HETATM 12893 C C7 . NAG CA 2 . ? 5.509 -42.156 -9.129 1.00 39.77 ? 404 NAG C C7 1 HETATM 12894 C C8 . NAG CA 2 . ? 4.611 -42.202 -7.919 1.00 41.76 ? 404 NAG C C8 1 HETATM 12895 N N2 . NAG CA 2 . ? 6.642 -41.473 -8.987 1.00 35.62 ? 404 NAG C N2 1 HETATM 12896 O O3 . NAG CA 2 . ? 8.272 -43.609 -10.184 1.00 34.76 ? 404 NAG C O3 1 HETATM 12897 O O4 . NAG CA 2 . ? 11.013 -42.741 -10.604 1.00 36.04 ? 404 NAG C O4 1 HETATM 12898 O O5 . NAG CA 2 . ? 9.061 -39.745 -11.014 1.00 30.10 ? 404 NAG C O5 1 HETATM 12899 O O6 . NAG CA 2 . ? 11.051 -40.392 -12.935 1.00 33.48 ? 404 NAG C O6 1 HETATM 12900 O O7 . NAG CA 2 . ? 5.197 -42.743 -10.170 1.00 41.10 ? 404 NAG C O7 1 HETATM 12901 N N1 . EPE DA 3 . ? -26.488 -25.831 -18.088 1.00 49.26 ? 405 EPE C N1 1 HETATM 12902 C C2 . EPE DA 3 . ? -26.407 -24.368 -18.175 1.00 49.48 ? 405 EPE C C2 1 HETATM 12903 C C3 . EPE DA 3 . ? -26.192 -23.763 -16.798 1.00 51.25 ? 405 EPE C C3 1 HETATM 12904 N N4 . EPE DA 3 . ? -27.277 -24.117 -15.871 1.00 53.80 ? 405 EPE C N4 1 HETATM 12905 C C5 . EPE DA 3 . ? -27.468 -25.580 -15.827 1.00 52.55 ? 405 EPE C C5 1 HETATM 12906 C C6 . EPE DA 3 . ? -27.656 -26.151 -17.231 1.00 51.54 ? 405 EPE C C6 1 HETATM 12907 C C7 . EPE DA 3 . ? -26.922 -23.591 -14.534 1.00 57.17 ? 405 EPE C C7 1 HETATM 12908 C C8 . EPE DA 3 . ? -28.087 -22.797 -13.964 1.00 60.35 ? 405 EPE C C8 1 HETATM 12909 O O8 . EPE DA 3 . ? -29.153 -23.704 -13.667 1.00 62.28 ? 405 EPE C O8 1 HETATM 12910 C C9 . EPE DA 3 . ? -26.691 -26.331 -19.466 1.00 46.17 ? 405 EPE C C9 1 HETATM 12911 C C10 . EPE DA 3 . ? -26.421 -27.819 -19.603 1.00 45.48 ? 405 EPE C C10 1 HETATM 12912 S S . EPE DA 3 . ? -26.786 -28.369 -21.149 1.00 43.30 ? 405 EPE C S 1 HETATM 12913 O O1S . EPE DA 3 . ? -28.225 -28.198 -21.436 1.00 45.36 ? 405 EPE C O1S 1 HETATM 12914 O O2S . EPE DA 3 . ? -26.030 -27.597 -22.142 1.00 40.83 ? 405 EPE C O2S 1 HETATM 12915 O O3S . EPE DA 3 . ? -26.553 -29.827 -21.188 1.00 43.24 ? 405 EPE C O3S 1 HETATM 12916 CL CL . CL EA 4 . ? 21.884 -20.372 -20.441 1.00 32.55 ? 406 CL C CL 1 HETATM 12917 P P . PO4 FA 5 . ? 20.553 -17.911 -28.758 0.70 29.61 ? 407 PO4 C P 1 HETATM 12918 O O1 . PO4 FA 5 . ? 21.688 -18.478 -29.574 0.70 30.63 ? 407 PO4 C O1 1 HETATM 12919 O O2 . PO4 FA 5 . ? 19.269 -18.008 -29.566 0.70 29.67 ? 407 PO4 C O2 1 HETATM 12920 O O3 . PO4 FA 5 . ? 20.950 -16.465 -28.552 0.70 30.97 ? 407 PO4 C O3 1 HETATM 12921 O O4 . PO4 FA 5 . ? 20.366 -18.570 -27.409 0.70 25.80 ? 407 PO4 C O4 1 HETATM 12922 C C1 . MPD GA 6 . ? -7.224 -34.198 -26.006 1.00 40.30 ? 408 MPD C C1 1 HETATM 12923 C C2 . MPD GA 6 . ? -7.809 -35.584 -26.240 1.00 41.09 ? 408 MPD C C2 1 HETATM 12924 O O2 . MPD GA 6 . ? -9.233 -35.538 -26.041 1.00 34.81 ? 408 MPD C O2 1 HETATM 12925 C CM . MPD GA 6 . ? -7.558 -35.983 -27.690 1.00 42.18 ? 408 MPD C CM 1 HETATM 12926 C C3 . MPD GA 6 . ? -7.179 -36.547 -25.227 1.00 42.54 ? 408 MPD C C3 1 HETATM 12927 C C4 . MPD GA 6 . ? -7.717 -37.969 -25.288 1.00 46.36 ? 408 MPD C C4 1 HETATM 12928 O O4 . MPD GA 6 . ? -6.691 -38.805 -25.824 1.00 47.93 ? 408 MPD C O4 1 HETATM 12929 C C5 . MPD GA 6 . ? -8.093 -38.505 -23.907 1.00 49.04 ? 408 MPD C C5 1 HETATM 12930 C C1 . MPD HA 6 . ? -4.036 -36.040 -27.047 1.00 50.72 ? 409 MPD C C1 1 HETATM 12931 C C2 . MPD HA 6 . ? -3.301 -35.523 -28.272 1.00 49.95 ? 409 MPD C C2 1 HETATM 12932 O O2 . MPD HA 6 . ? -3.341 -36.532 -29.290 1.00 53.20 ? 409 MPD C O2 1 HETATM 12933 C CM . MPD HA 6 . ? -3.970 -34.269 -28.812 1.00 49.14 ? 409 MPD C CM 1 HETATM 12934 C C3 . MPD HA 6 . ? -1.821 -35.319 -27.975 1.00 49.81 ? 409 MPD C C3 1 HETATM 12935 C C4 . MPD HA 6 . ? -1.531 -34.232 -26.952 1.00 50.07 ? 409 MPD C C4 1 HETATM 12936 O O4 . MPD HA 6 . ? -2.292 -34.450 -25.765 1.00 51.75 ? 409 MPD C O4 1 HETATM 12937 C C5 . MPD HA 6 . ? -0.040 -34.211 -26.622 1.00 47.68 ? 409 MPD C C5 1 HETATM 12938 C C1 . MPD IA 6 . ? 12.423 -3.790 -28.819 1.00 50.19 ? 401 MPD D C1 1 HETATM 12939 C C2 . MPD IA 6 . ? 12.586 -5.291 -28.674 1.00 48.85 ? 401 MPD D C2 1 HETATM 12940 O O2 . MPD IA 6 . ? 11.385 -5.826 -28.122 1.00 47.87 ? 401 MPD D O2 1 HETATM 12941 C CM . MPD IA 6 . ? 12.829 -5.904 -30.042 1.00 49.53 ? 401 MPD D CM 1 HETATM 12942 C C3 . MPD IA 6 . ? 13.774 -5.624 -27.776 1.00 47.94 ? 401 MPD D C3 1 HETATM 12943 C C4 . MPD IA 6 . ? 13.650 -5.112 -26.337 1.00 46.18 ? 401 MPD D C4 1 HETATM 12944 O O4 . MPD IA 6 . ? 12.478 -5.622 -25.701 1.00 44.79 ? 401 MPD D O4 1 HETATM 12945 C C5 . MPD IA 6 . ? 14.865 -5.536 -25.520 1.00 44.81 ? 401 MPD D C5 1 HETATM 12946 C C1 . NAG JA 2 . ? 12.476 -3.574 -34.960 1.00 34.50 ? 402 NAG D C1 1 HETATM 12947 C C2 . NAG JA 2 . ? 13.649 -4.305 -34.327 1.00 36.30 ? 402 NAG D C2 1 HETATM 12948 C C3 . NAG JA 2 . ? 13.782 -5.727 -34.883 1.00 40.37 ? 402 NAG D C3 1 HETATM 12949 C C4 . NAG JA 2 . ? 12.441 -6.435 -34.788 1.00 40.30 ? 402 NAG D C4 1 HETATM 12950 C C5 . NAG JA 2 . ? 11.384 -5.584 -35.484 1.00 39.96 ? 402 NAG D C5 1 HETATM 12951 C C6 . NAG JA 2 . ? 9.991 -6.204 -35.485 1.00 40.51 ? 402 NAG D C6 1 HETATM 12952 C C7 . NAG JA 2 . ? 15.677 -3.155 -33.670 1.00 37.54 ? 402 NAG D C7 1 HETATM 12953 C C8 . NAG JA 2 . ? 16.887 -2.364 -34.102 1.00 39.21 ? 402 NAG D C8 1 HETATM 12954 N N2 . NAG JA 2 . ? 14.832 -3.535 -34.618 1.00 36.44 ? 402 NAG D N2 1 HETATM 12955 O O3 . NAG JA 2 . ? 14.709 -6.503 -34.149 1.00 41.74 ? 402 NAG D O3 1 HETATM 12956 O O4 . NAG JA 2 . ? 12.597 -7.689 -35.396 1.00 41.71 ? 402 NAG D O4 1 HETATM 12957 O O5 . NAG JA 2 . ? 11.333 -4.372 -34.758 1.00 36.85 ? 402 NAG D O5 1 HETATM 12958 O O6 . NAG JA 2 . ? 9.659 -6.499 -34.151 1.00 40.52 ? 402 NAG D O6 1 HETATM 12959 O O7 . NAG JA 2 . ? 15.505 -3.435 -32.486 1.00 37.20 ? 402 NAG D O7 1 HETATM 12960 C C1 . NAG KA 2 . ? -8.644 16.593 -40.798 1.00 32.02 ? 403 NAG D C1 1 HETATM 12961 C C2 . NAG KA 2 . ? -8.736 16.421 -42.318 1.00 34.94 ? 403 NAG D C2 1 HETATM 12962 C C3 . NAG KA 2 . ? -8.540 14.960 -42.742 1.00 36.65 ? 403 NAG D C3 1 HETATM 12963 C C4 . NAG KA 2 . ? -7.298 14.375 -42.091 1.00 37.79 ? 403 NAG D C4 1 HETATM 12964 C C5 . NAG KA 2 . ? -7.347 14.574 -40.563 1.00 37.43 ? 403 NAG D C5 1 HETATM 12965 C C6 . NAG KA 2 . ? -6.056 14.074 -39.923 1.00 38.43 ? 403 NAG D C6 1 HETATM 12966 C C7 . NAG KA 2 . ? -10.209 17.935 -43.582 1.00 37.57 ? 403 NAG D C7 1 HETATM 12967 C C8 . NAG KA 2 . ? -11.619 18.202 -44.015 1.00 39.72 ? 403 NAG D C8 1 HETATM 12968 N N2 . NAG KA 2 . ? -10.027 16.851 -42.823 1.00 35.01 ? 403 NAG D N2 1 HETATM 12969 O O3 . NAG KA 2 . ? -8.408 14.933 -44.150 1.00 36.42 ? 403 NAG D O3 1 HETATM 12970 O O4 . NAG KA 2 . ? -7.177 13.001 -42.441 1.00 39.41 ? 403 NAG D O4 1 HETATM 12971 O O5 . NAG KA 2 . ? -7.484 15.965 -40.294 1.00 34.08 ? 403 NAG D O5 1 HETATM 12972 O O6 . NAG KA 2 . ? -5.907 14.532 -38.592 1.00 40.95 ? 403 NAG D O6 1 HETATM 12973 O O7 . NAG KA 2 . ? -9.317 18.713 -43.929 1.00 37.76 ? 403 NAG D O7 1 HETATM 12974 C C1 A NAG LA 2 . ? 1.833 31.035 -46.272 0.50 23.59 ? 404 NAG D C1 1 HETATM 12975 C C1 B NAG LA 2 . ? 3.389 32.901 -45.509 0.50 21.47 ? 404 NAG D C1 1 HETATM 12976 C C2 A NAG LA 2 . ? 1.628 32.564 -46.339 0.50 24.77 ? 404 NAG D C2 1 HETATM 12977 C C2 B NAG LA 2 . ? 4.176 33.576 -46.648 0.50 21.93 ? 404 NAG D C2 1 HETATM 12978 C C3 A NAG LA 2 . ? 0.767 32.987 -47.540 0.50 25.54 ? 404 NAG D C3 1 HETATM 12979 C C3 B NAG LA 2 . ? 4.244 35.106 -46.534 0.50 22.08 ? 404 NAG D C3 1 HETATM 12980 C C4 A NAG LA 2 . ? 1.067 32.179 -48.803 0.50 25.53 ? 404 NAG D C4 1 HETATM 12981 C C4 B NAG LA 2 . ? 2.880 35.670 -46.154 0.50 22.38 ? 404 NAG D C4 1 HETATM 12982 C C5 A NAG LA 2 . ? 1.390 30.719 -48.534 0.50 25.07 ? 404 NAG D C5 1 HETATM 12983 C C5 B NAG LA 2 . ? 2.283 34.885 -44.989 0.50 22.43 ? 404 NAG D C5 1 HETATM 12984 C C6 A NAG LA 2 . ? 1.901 29.969 -49.766 0.50 25.10 ? 404 NAG D C6 1 HETATM 12985 C C6 B NAG LA 2 . ? 0.929 35.447 -44.568 0.50 23.46 ? 404 NAG D C6 1 HETATM 12986 C C7 A NAG LA 2 . ? 1.707 33.688 -44.198 0.50 26.14 ? 404 NAG D C7 1 HETATM 12987 C C7 B NAG LA 2 . ? 5.918 32.354 -47.781 0.50 22.25 ? 404 NAG D C7 1 HETATM 12988 C C8 A NAG LA 2 . ? 0.956 34.148 -42.980 0.50 26.50 ? 404 NAG D C8 1 HETATM 12989 C C8 B NAG LA 2 . ? 7.327 31.829 -47.809 0.50 22.61 ? 404 NAG D C8 1 HETATM 12990 N N2 A NAG LA 2 . ? 0.998 33.052 -45.127 0.50 25.28 ? 404 NAG D N2 1 HETATM 12991 N N2 B NAG LA 2 . ? 5.525 33.049 -46.728 0.50 22.13 ? 404 NAG D N2 1 HETATM 12992 O O3 A NAG LA 2 . ? 0.862 34.383 -47.784 0.50 24.98 ? 404 NAG D O3 1 HETATM 12993 O O3 B NAG LA 2 . ? 4.690 35.668 -47.759 0.50 22.52 ? 404 NAG D O3 1 HETATM 12994 O O4 A NAG LA 2 . ? -0.132 32.154 -49.523 0.50 29.09 ? 404 NAG D O4 1 HETATM 12995 O O4 B NAG LA 2 . ? 2.960 37.057 -45.856 0.50 22.86 ? 404 NAG D O4 1 HETATM 12996 O O5 A NAG LA 2 . ? 2.350 30.636 -47.524 0.50 24.33 ? 404 NAG D O5 1 HETATM 12997 O O5 B NAG LA 2 . ? 2.131 33.537 -45.413 0.50 22.07 ? 404 NAG D O5 1 HETATM 12998 O O6 A NAG LA 2 . ? 3.280 29.688 -49.628 0.50 24.25 ? 404 NAG D O6 1 HETATM 12999 O O6 B NAG LA 2 . ? 0.163 34.482 -43.874 0.50 23.70 ? 404 NAG D O6 1 HETATM 13000 O O7 A NAG LA 2 . ? 2.918 33.902 -44.320 0.50 27.45 ? 404 NAG D O7 1 HETATM 13001 O O7 B NAG LA 2 . ? 5.164 32.141 -48.715 0.50 22.56 ? 404 NAG D O7 1 HETATM 13002 C C1 . NAG MA 2 . ? -6.145 31.280 -9.120 1.00 31.80 ? 405 NAG D C1 1 HETATM 13003 C C2 . NAG MA 2 . ? -5.239 32.473 -9.384 1.00 33.60 ? 405 NAG D C2 1 HETATM 13004 C C3 . NAG MA 2 . ? -6.097 33.721 -9.466 1.00 35.02 ? 405 NAG D C3 1 HETATM 13005 C C4 . NAG MA 2 . ? -7.213 33.521 -10.484 1.00 34.37 ? 405 NAG D C4 1 HETATM 13006 C C5 . NAG MA 2 . ? -8.033 32.287 -10.106 1.00 33.75 ? 405 NAG D C5 1 HETATM 13007 C C6 . NAG MA 2 . ? -9.236 32.016 -11.015 1.00 33.09 ? 405 NAG D C6 1 HETATM 13008 C C7 . NAG MA 2 . ? -2.960 32.728 -8.532 1.00 39.08 ? 405 NAG D C7 1 HETATM 13009 C C8 . NAG MA 2 . ? -2.072 32.881 -7.326 1.00 40.01 ? 405 NAG D C8 1 HETATM 13010 N N2 . NAG MA 2 . ? -4.274 32.614 -8.314 1.00 36.30 ? 405 NAG D N2 1 HETATM 13011 O O3 . NAG MA 2 . ? -5.296 34.799 -9.872 1.00 34.96 ? 405 NAG D O3 1 HETATM 13012 O O4 . NAG MA 2 . ? -7.999 34.687 -10.486 1.00 35.73 ? 405 NAG D O4 1 HETATM 13013 O O5 . NAG MA 2 . ? -7.143 31.174 -10.132 1.00 29.98 ? 405 NAG D O5 1 HETATM 13014 O O6 . NAG MA 2 . ? -8.747 31.975 -12.321 1.00 36.40 ? 405 NAG D O6 1 HETATM 13015 O O7 . NAG MA 2 . ? -2.450 32.720 -9.654 1.00 41.71 ? 405 NAG D O7 1 HETATM 13016 N N1 . EPE NA 3 . ? 22.857 6.520 -11.453 1.00 44.21 ? 406 EPE D N1 1 HETATM 13017 C C2 . EPE NA 3 . ? 22.351 5.165 -11.207 1.00 44.50 ? 406 EPE D C2 1 HETATM 13018 C C3 . EPE NA 3 . ? 21.956 5.080 -9.748 1.00 46.95 ? 406 EPE D C3 1 HETATM 13019 N N4 . EPE NA 3 . ? 23.178 5.175 -8.929 1.00 49.28 ? 406 EPE D N4 1 HETATM 13020 C C5 . EPE NA 3 . ? 23.814 6.485 -9.151 1.00 47.62 ? 406 EPE D C5 1 HETATM 13021 C C6 . EPE NA 3 . ? 24.087 6.705 -10.637 1.00 46.45 ? 406 EPE D C6 1 HETATM 13022 C C7 . EPE NA 3 . ? 22.807 5.002 -7.520 1.00 53.46 ? 406 EPE D C7 1 HETATM 13023 C C8 . EPE NA 3 . ? 22.759 3.508 -7.205 1.00 58.14 ? 406 EPE D C8 1 HETATM 13024 O O8 . EPE NA 3 . ? 23.877 3.177 -6.363 1.00 63.36 ? 406 EPE D O8 1 HETATM 13025 C C9 . EPE NA 3 . ? 23.138 6.607 -12.893 1.00 41.83 ? 406 EPE D C9 1 HETATM 13026 C C10 . EPE NA 3 . ? 23.353 8.041 -13.319 1.00 42.42 ? 406 EPE D C10 1 HETATM 13027 S S . EPE NA 3 . ? 23.884 8.109 -14.899 1.00 41.30 ? 406 EPE D S 1 HETATM 13028 O O1S . EPE NA 3 . ? 24.030 9.553 -15.184 1.00 41.36 ? 406 EPE D O1S 1 HETATM 13029 O O2S . EPE NA 3 . ? 22.903 7.476 -15.816 1.00 40.80 ? 406 EPE D O2S 1 HETATM 13030 O O3S . EPE NA 3 . ? 25.201 7.441 -15.002 1.00 44.21 ? 406 EPE D O3S 1 HETATM 13031 CL CL . CL OA 4 . ? -25.074 14.749 -16.179 1.00 47.00 ? 407 CL D CL 1 HETATM 13032 P P . PO4 PA 5 . ? -24.431 10.352 -23.616 0.70 30.42 ? 408 PO4 D P 1 HETATM 13033 O O1 . PO4 PA 5 . ? -25.215 11.018 -24.727 0.70 31.89 ? 408 PO4 D O1 1 HETATM 13034 O O2 . PO4 PA 5 . ? -23.151 9.790 -24.210 0.70 31.61 ? 408 PO4 D O2 1 HETATM 13035 O O3 . PO4 PA 5 . ? -25.306 9.257 -23.037 0.70 34.09 ? 408 PO4 D O3 1 HETATM 13036 O O4 . PO4 PA 5 . ? -24.119 11.329 -22.522 0.70 27.41 ? 408 PO4 D O4 1 HETATM 13037 C C1 . MPD QA 6 . ? 6.999 17.875 -23.026 1.00 45.66 ? 409 MPD D C1 1 HETATM 13038 C C2 . MPD QA 6 . ? 7.957 19.032 -23.221 1.00 47.71 ? 409 MPD D C2 1 HETATM 13039 O O2 . MPD QA 6 . ? 9.281 18.542 -22.970 1.00 49.31 ? 409 MPD D O2 1 HETATM 13040 C CM . MPD QA 6 . ? 7.851 19.500 -24.658 1.00 46.92 ? 409 MPD D CM 1 HETATM 13041 C C3 . MPD QA 6 . ? 7.637 20.145 -22.222 1.00 47.01 ? 409 MPD D C3 1 HETATM 13042 C C4 . MPD QA 6 . ? 8.496 21.404 -22.397 1.00 51.02 ? 409 MPD D C4 1 HETATM 13043 O O4 . MPD QA 6 . ? 7.952 22.244 -23.433 1.00 49.39 ? 409 MPD D O4 1 HETATM 13044 C C5 . MPD QA 6 . ? 8.581 22.215 -21.100 1.00 50.61 ? 409 MPD D C5 1 HETATM 13045 C C1 . MPD RA 6 . ? 3.796 18.490 -25.410 1.00 41.07 ? 410 MPD D C1 1 HETATM 13046 C C2 . MPD RA 6 . ? 3.624 19.896 -24.837 1.00 41.16 ? 410 MPD D C2 1 HETATM 13047 O O2 . MPD RA 6 . ? 4.279 20.000 -23.556 1.00 39.87 ? 410 MPD D O2 1 HETATM 13048 C CM . MPD RA 6 . ? 4.256 20.916 -25.776 1.00 42.11 ? 410 MPD D CM 1 HETATM 13049 C C3 . MPD RA 6 . ? 2.140 20.247 -24.691 1.00 41.55 ? 410 MPD D C3 1 HETATM 13050 C C4 . MPD RA 6 . ? 1.384 19.332 -23.737 1.00 41.72 ? 410 MPD D C4 1 HETATM 13051 O O4 . MPD RA 6 . ? 2.094 19.246 -22.502 1.00 41.83 ? 410 MPD D O4 1 HETATM 13052 C C5 . MPD RA 6 . ? -0.030 19.839 -23.462 1.00 39.91 ? 410 MPD D C5 1 HETATM 13053 C C1 . MPD SA 6 . ? 9.339 20.633 -15.768 1.00 51.59 ? 411 MPD D C1 1 HETATM 13054 C C2 . MPD SA 6 . ? 9.799 20.821 -14.325 1.00 55.01 ? 411 MPD D C2 1 HETATM 13055 O O2 . MPD SA 6 . ? 9.754 22.221 -14.012 1.00 56.25 ? 411 MPD D O2 1 HETATM 13056 C CM . MPD SA 6 . ? 8.850 20.066 -13.401 1.00 53.11 ? 411 MPD D CM 1 HETATM 13057 C C3 . MPD SA 6 . ? 11.226 20.301 -14.094 1.00 53.82 ? 411 MPD D C3 1 HETATM 13058 C C4 . MPD SA 6 . ? 12.288 20.928 -14.998 1.00 55.10 ? 411 MPD D C4 1 HETATM 13059 O O4 . MPD SA 6 . ? 12.336 22.334 -14.765 1.00 54.25 ? 411 MPD D O4 1 HETATM 13060 C C5 . MPD SA 6 . ? 13.671 20.352 -14.726 1.00 55.63 ? 411 MPD D C5 1 HETATM 13061 C C1 . MPD TA 6 . ? 11.863 20.114 -18.992 1.00 50.99 ? 412 MPD D C1 1 HETATM 13062 C C2 . MPD TA 6 . ? 12.309 19.193 -20.118 1.00 50.40 ? 412 MPD D C2 1 HETATM 13063 O O2 . MPD TA 6 . ? 11.488 19.433 -21.268 1.00 54.01 ? 412 MPD D O2 1 HETATM 13064 C CM . MPD TA 6 . ? 13.738 19.531 -20.459 1.00 51.25 ? 412 MPD D CM 1 HETATM 13065 C C3 . MPD TA 6 . ? 12.207 17.717 -19.741 1.00 50.30 ? 412 MPD D C3 1 HETATM 13066 C C4 . MPD TA 6 . ? 11.519 16.867 -20.807 1.00 49.72 ? 412 MPD D C4 1 HETATM 13067 O O4 . MPD TA 6 . ? 12.038 17.190 -22.103 1.00 51.09 ? 412 MPD D O4 1 HETATM 13068 C C5 . MPD TA 6 . ? 11.637 15.365 -20.537 1.00 47.92 ? 412 MPD D C5 1 HETATM 13069 O O . HOH UA 7 . ? 1.302 -30.462 46.147 0.50 19.04 ? 501 HOH A O 1 HETATM 13070 O O . HOH UA 7 . ? -0.930 -32.185 45.161 1.00 32.17 ? 502 HOH A O 1 HETATM 13071 O O . HOH UA 7 . ? 1.842 -28.206 49.367 0.50 11.16 ? 503 HOH A O 1 HETATM 13072 O O . HOH UA 7 . ? 5.315 -28.183 47.911 1.00 28.73 ? 504 HOH A O 1 HETATM 13073 O O . HOH UA 7 . ? 6.850 -35.122 43.600 0.50 27.99 ? 505 HOH A O 1 HETATM 13074 O O . HOH UA 7 . ? 3.883 -25.287 46.996 1.00 33.22 ? 506 HOH A O 1 HETATM 13075 O O . HOH UA 7 . ? -0.697 -17.182 46.707 1.00 16.25 ? 507 HOH A O 1 HETATM 13076 O O . HOH UA 7 . ? 6.054 -37.799 28.477 1.00 22.64 ? 508 HOH A O 1 HETATM 13077 O O . HOH UA 7 . ? 33.167 -12.922 22.687 1.00 42.79 ? 509 HOH A O 1 HETATM 13078 O O . HOH UA 7 . ? -4.228 -30.535 28.413 1.00 26.86 ? 510 HOH A O 1 HETATM 13079 O O . HOH UA 7 . ? 14.663 -20.203 46.982 1.00 49.15 ? 511 HOH A O 1 HETATM 13080 O O . HOH UA 7 . ? 2.437 -19.809 47.853 1.00 16.61 ? 512 HOH A O 1 HETATM 13081 O O . HOH UA 7 . ? -1.029 -32.105 38.136 1.00 39.70 ? 513 HOH A O 1 HETATM 13082 O O . HOH UA 7 . ? 0.707 -27.893 46.590 0.50 19.61 ? 514 HOH A O 1 HETATM 13083 O O . HOH UA 7 . ? -6.229 -18.829 42.893 1.00 29.28 ? 515 HOH A O 1 HETATM 13084 O O . HOH UA 7 . ? 8.626 -36.522 28.990 1.00 30.73 ? 516 HOH A O 1 HETATM 13085 O O . HOH UA 7 . ? 7.424 -15.625 48.442 1.00 22.99 ? 517 HOH A O 1 HETATM 13086 O O . HOH UA 7 . ? 34.160 -12.206 19.830 1.00 29.12 ? 518 HOH A O 1 HETATM 13087 O O . HOH UA 7 . ? -24.593 -6.801 16.275 0.70 28.78 ? 519 HOH A O 1 HETATM 13088 O O . HOH UA 7 . ? 0.136 -9.643 43.839 1.00 41.57 ? 520 HOH A O 1 HETATM 13089 O O . HOH UA 7 . ? -2.312 -24.431 46.064 1.00 16.25 ? 521 HOH A O 1 HETATM 13090 O O . HOH UA 7 . ? -7.569 -27.916 36.731 1.00 23.57 ? 522 HOH A O 1 HETATM 13091 O O . HOH UA 7 . ? 32.083 -3.675 21.895 1.00 51.33 ? 523 HOH A O 1 HETATM 13092 O O . HOH UA 7 . ? 33.308 -13.101 17.465 1.00 45.15 ? 524 HOH A O 1 HETATM 13093 O O . HOH UA 7 . ? -7.214 -29.733 29.684 1.00 16.61 ? 525 HOH A O 1 HETATM 13094 O O . HOH UA 7 . ? 3.702 -17.896 46.165 1.00 17.44 ? 526 HOH A O 1 HETATM 13095 O O . HOH UA 7 . ? -25.163 -9.515 15.257 1.00 37.01 ? 527 HOH A O 1 HETATM 13096 O O . HOH UA 7 . ? 7.825 -14.908 51.385 1.00 37.85 ? 528 HOH A O 1 HETATM 13097 O O . HOH UA 7 . ? 0.591 -14.866 45.789 1.00 23.14 ? 529 HOH A O 1 HETATM 13098 O O . HOH UA 7 . ? 4.841 -12.803 51.253 1.00 33.24 ? 530 HOH A O 1 HETATM 13099 O O . HOH UA 7 . ? 32.860 -4.274 18.717 1.00 52.57 ? 531 HOH A O 1 HETATM 13100 O O . HOH UA 7 . ? 0.651 -17.333 20.850 1.00 14.47 ? 532 HOH A O 1 HETATM 13101 O O . HOH UA 7 . ? -4.755 -8.442 -3.313 1.00 17.61 ? 533 HOH A O 1 HETATM 13102 O O . HOH UA 7 . ? 0.645 -20.511 5.489 1.00 16.81 ? 534 HOH A O 1 HETATM 13103 O O . HOH UA 7 . ? 2.274 -16.448 44.418 1.00 15.54 ? 535 HOH A O 1 HETATM 13104 O O . HOH UA 7 . ? -3.038 -14.726 -3.915 1.00 16.08 ? 536 HOH A O 1 HETATM 13105 O O . HOH UA 7 . ? 8.272 -13.570 31.049 1.00 18.02 ? 537 HOH A O 1 HETATM 13106 O O . HOH UA 7 . ? 3.754 -0.880 10.631 1.00 22.04 ? 538 HOH A O 1 HETATM 13107 O O . HOH UA 7 . ? 3.259 -2.986 18.836 1.00 17.23 ? 539 HOH A O 1 HETATM 13108 O O . HOH UA 7 . ? -2.573 -19.535 6.840 1.00 17.79 ? 540 HOH A O 1 HETATM 13109 O O . HOH UA 7 . ? -7.185 -24.861 20.253 1.00 21.72 ? 541 HOH A O 1 HETATM 13110 O O . HOH UA 7 . ? 5.054 -9.068 46.269 1.00 34.57 ? 542 HOH A O 1 HETATM 13111 O O . HOH UA 7 . ? -4.664 -10.643 31.950 1.00 18.82 ? 543 HOH A O 1 HETATM 13112 O O . HOH UA 7 . ? -11.877 -6.889 -2.530 1.00 19.94 ? 544 HOH A O 1 HETATM 13113 O O . HOH UA 7 . ? 0.567 -26.296 27.376 1.00 18.43 ? 545 HOH A O 1 HETATM 13114 O O . HOH UA 7 . ? 8.439 -16.718 5.518 1.00 21.70 ? 546 HOH A O 1 HETATM 13115 O O . HOH UA 7 . ? 11.080 -7.121 8.446 1.00 22.62 ? 547 HOH A O 1 HETATM 13116 O O . HOH UA 7 . ? 14.754 -5.411 22.272 1.00 20.29 ? 548 HOH A O 1 HETATM 13117 O O . HOH UA 7 . ? -2.931 -24.541 39.910 1.00 18.15 ? 549 HOH A O 1 HETATM 13118 O O . HOH UA 7 . ? -5.268 -16.341 -4.261 1.00 20.14 ? 550 HOH A O 1 HETATM 13119 O O . HOH UA 7 . ? 4.044 -5.739 28.597 1.00 19.16 ? 551 HOH A O 1 HETATM 13120 O O . HOH UA 7 . ? -9.038 -25.196 23.905 0.80 23.49 ? 552 HOH A O 1 HETATM 13121 O O . HOH UA 7 . ? 20.841 -9.525 15.785 1.00 26.33 ? 553 HOH A O 1 HETATM 13122 O O . HOH UA 7 . ? -3.130 -0.883 26.744 1.00 23.70 ? 554 HOH A O 1 HETATM 13123 O O . HOH UA 7 . ? -20.951 -6.551 17.955 1.00 26.44 ? 555 HOH A O 1 HETATM 13124 O O . HOH UA 7 . ? -21.204 -8.977 16.846 1.00 22.90 ? 556 HOH A O 1 HETATM 13125 O O . HOH UA 7 . ? 0.470 -17.092 42.307 1.00 18.01 ? 557 HOH A O 1 HETATM 13126 O O . HOH UA 7 . ? 15.319 -14.385 13.643 1.00 20.62 ? 558 HOH A O 1 HETATM 13127 O O . HOH UA 7 . ? 14.946 -10.848 37.687 1.00 27.68 ? 559 HOH A O 1 HETATM 13128 O O . HOH UA 7 . ? 16.726 -27.103 30.190 1.00 23.80 ? 560 HOH A O 1 HETATM 13129 O O . HOH UA 7 . ? 12.931 -27.337 29.263 1.00 23.46 ? 561 HOH A O 1 HETATM 13130 O O . HOH UA 7 . ? 22.829 -2.816 23.424 1.00 25.34 ? 562 HOH A O 1 HETATM 13131 O O . HOH UA 7 . ? 1.846 -0.226 20.898 1.00 21.00 ? 563 HOH A O 1 HETATM 13132 O O . HOH UA 7 . ? 0.811 1.275 26.589 1.00 24.55 ? 564 HOH A O 1 HETATM 13133 O O . HOH UA 7 . ? 12.280 -10.796 24.223 1.00 20.86 ? 565 HOH A O 1 HETATM 13134 O O . HOH UA 7 . ? 6.241 -14.564 24.816 1.00 20.41 ? 566 HOH A O 1 HETATM 13135 O O . HOH UA 7 . ? -5.304 -21.433 0.456 1.00 26.05 ? 567 HOH A O 1 HETATM 13136 O O . HOH UA 7 . ? -22.322 -5.662 14.669 1.00 25.76 ? 568 HOH A O 1 HETATM 13137 O O . HOH UA 7 . ? -17.447 -23.497 3.324 1.00 29.46 ? 569 HOH A O 1 HETATM 13138 O O . HOH UA 7 . ? 7.992 -13.823 22.777 1.00 23.74 ? 570 HOH A O 1 HETATM 13139 O O . HOH UA 7 . ? 16.760 2.133 22.789 1.00 28.15 ? 571 HOH A O 1 HETATM 13140 O O . HOH UA 7 . ? -10.279 -20.831 20.283 1.00 26.52 ? 572 HOH A O 1 HETATM 13141 O O . HOH UA 7 . ? 1.350 -7.298 7.765 1.00 21.42 ? 573 HOH A O 1 HETATM 13142 O O . HOH UA 7 . ? -24.888 -16.361 23.715 1.00 32.28 ? 574 HOH A O 1 HETATM 13143 O O . HOH UA 7 . ? 9.798 -15.696 23.310 1.00 30.77 ? 575 HOH A O 1 HETATM 13144 O O . HOH UA 7 . ? -3.663 -0.661 4.382 1.00 26.39 ? 576 HOH A O 1 HETATM 13145 O O . HOH UA 7 . ? -20.775 -0.574 27.134 1.00 31.39 ? 577 HOH A O 1 HETATM 13146 O O . HOH UA 7 . ? 24.054 -7.988 19.373 1.00 25.65 ? 578 HOH A O 1 HETATM 13147 O O . HOH UA 7 . ? 25.761 -7.752 21.476 1.00 25.88 ? 579 HOH A O 1 HETATM 13148 O O . HOH UA 7 . ? -4.761 -28.741 11.148 1.00 34.44 ? 580 HOH A O 1 HETATM 13149 O O . HOH UA 7 . ? 21.084 -2.089 27.909 1.00 35.00 ? 581 HOH A O 1 HETATM 13150 O O . HOH UA 7 . ? 9.903 1.663 28.865 1.00 31.51 ? 582 HOH A O 1 HETATM 13151 O O . HOH UA 7 . ? 1.354 -27.429 19.214 1.00 30.32 ? 583 HOH A O 1 HETATM 13152 O O . HOH UA 7 . ? -22.566 1.363 24.909 1.00 29.51 ? 584 HOH A O 1 HETATM 13153 O O . HOH UA 7 . ? 17.937 -0.192 28.252 1.00 32.09 ? 585 HOH A O 1 HETATM 13154 O O . HOH UA 7 . ? 3.264 -20.687 2.082 1.00 30.97 ? 586 HOH A O 1 HETATM 13155 O O . HOH UA 7 . ? 6.017 -1.121 7.190 1.00 32.67 ? 587 HOH A O 1 HETATM 13156 O O . HOH UA 7 . ? 15.530 -2.014 37.332 1.00 36.98 ? 588 HOH A O 1 HETATM 13157 O O . HOH UA 7 . ? -2.592 -6.576 36.136 1.00 32.37 ? 589 HOH A O 1 HETATM 13158 O O . HOH UA 7 . ? -1.548 -14.587 38.803 1.00 27.82 ? 590 HOH A O 1 HETATM 13159 O O . HOH UA 7 . ? 12.222 -8.143 30.518 1.00 28.30 ? 591 HOH A O 1 HETATM 13160 O O . HOH UA 7 . ? -10.418 -35.247 19.446 1.00 31.35 ? 592 HOH A O 1 HETATM 13161 O O . HOH UA 7 . ? 1.878 -2.470 16.140 1.00 26.47 ? 593 HOH A O 1 HETATM 13162 O O . HOH UA 7 . ? -19.583 -5.222 26.227 1.00 29.39 ? 594 HOH A O 1 HETATM 13163 O O . HOH UA 7 . ? 23.545 -12.421 24.529 1.00 29.01 ? 595 HOH A O 1 HETATM 13164 O O . HOH UA 7 . ? -6.100 -29.339 5.096 1.00 35.49 ? 596 HOH A O 1 HETATM 13165 O O . HOH UA 7 . ? 5.031 -7.005 11.543 1.00 23.93 ? 597 HOH A O 1 HETATM 13166 O O . HOH UA 7 . ? 16.873 -7.449 6.829 1.00 29.72 ? 598 HOH A O 1 HETATM 13167 O O . HOH UA 7 . ? -8.746 -27.387 11.590 1.00 25.56 ? 599 HOH A O 1 HETATM 13168 O O . HOH UA 7 . ? -3.040 -30.822 12.361 1.00 30.18 ? 600 HOH A O 1 HETATM 13169 O O . HOH UA 7 . ? 14.869 -32.290 35.535 1.00 28.95 ? 601 HOH A O 1 HETATM 13170 O O . HOH UA 7 . ? -19.973 -6.092 7.148 1.00 28.01 ? 602 HOH A O 1 HETATM 13171 O O . HOH UA 7 . ? -18.149 -28.784 17.969 1.00 33.72 ? 603 HOH A O 1 HETATM 13172 O O . HOH UA 7 . ? -4.650 0.674 7.977 1.00 35.19 ? 604 HOH A O 1 HETATM 13173 O O . HOH UA 7 . ? -24.375 0.754 17.988 1.00 30.26 ? 605 HOH A O 1 HETATM 13174 O O . HOH UA 7 . ? 21.693 3.725 13.810 1.00 32.33 ? 606 HOH A O 1 HETATM 13175 O O . HOH UA 7 . ? 16.027 -6.864 32.677 1.00 31.26 ? 607 HOH A O 1 HETATM 13176 O O . HOH UA 7 . ? -23.076 -1.626 11.953 1.00 30.35 ? 608 HOH A O 1 HETATM 13177 O O . HOH UA 7 . ? 19.233 -27.897 30.435 1.00 31.85 ? 609 HOH A O 1 HETATM 13178 O O . HOH UA 7 . ? -22.040 -24.044 19.800 1.00 41.22 ? 610 HOH A O 1 HETATM 13179 O O . HOH UA 7 . ? -15.729 -24.310 1.512 1.00 38.47 ? 611 HOH A O 1 HETATM 13180 O O . HOH UA 7 . ? -16.687 4.565 21.801 1.00 36.25 ? 612 HOH A O 1 HETATM 13181 O O . HOH UA 7 . ? -6.255 -15.493 -6.627 1.00 35.38 ? 613 HOH A O 1 HETATM 13182 O O . HOH UA 7 . ? 2.098 -0.111 7.194 1.00 31.14 ? 614 HOH A O 1 HETATM 13183 O O . HOH UA 7 . ? -11.349 -25.147 2.328 1.00 33.30 ? 615 HOH A O 1 HETATM 13184 O O . HOH UA 7 . ? 9.706 -7.240 5.165 1.00 33.49 ? 616 HOH A O 1 HETATM 13185 O O . HOH UA 7 . ? -3.531 -5.736 -2.975 1.00 37.27 ? 617 HOH A O 1 HETATM 13186 O O . HOH UA 7 . ? 11.494 3.077 26.788 1.00 35.59 ? 618 HOH A O 1 HETATM 13187 O O . HOH UA 7 . ? 22.212 -12.156 15.421 1.00 36.57 ? 619 HOH A O 1 HETATM 13188 O O . HOH UA 7 . ? -19.439 -21.939 2.061 1.00 42.45 ? 620 HOH A O 1 HETATM 13189 O O . HOH UA 7 . ? -5.691 -25.668 3.017 1.00 37.29 ? 621 HOH A O 1 HETATM 13190 O O . HOH UA 7 . ? -10.061 -19.183 -2.426 1.00 31.77 ? 622 HOH A O 1 HETATM 13191 O O . HOH UA 7 . ? 12.866 1.323 25.117 1.00 31.97 ? 623 HOH A O 1 HETATM 13192 O O . HOH UA 7 . ? 17.143 -8.384 29.406 1.00 35.19 ? 624 HOH A O 1 HETATM 13193 O O . HOH UA 7 . ? 22.611 -10.477 26.050 1.00 36.17 ? 625 HOH A O 1 HETATM 13194 O O . HOH UA 7 . ? -16.651 4.533 0.735 1.00 42.06 ? 626 HOH A O 1 HETATM 13195 O O . HOH UA 7 . ? 25.752 -20.668 20.903 1.00 38.70 ? 627 HOH A O 1 HETATM 13196 O O . HOH UA 7 . ? -9.473 -10.873 -4.982 1.00 37.48 ? 628 HOH A O 1 HETATM 13197 O O . HOH UA 7 . ? -14.928 -17.024 33.267 1.00 39.76 ? 629 HOH A O 1 HETATM 13198 O O . HOH UA 7 . ? -0.541 -3.086 34.598 1.00 36.71 ? 630 HOH A O 1 HETATM 13199 O O . HOH UA 7 . ? -4.706 -23.565 27.573 0.80 25.01 ? 631 HOH A O 1 HETATM 13200 O O . HOH UA 7 . ? -8.756 -24.961 1.313 1.00 41.45 ? 632 HOH A O 1 HETATM 13201 O O . HOH UA 7 . ? 16.408 1.759 25.411 1.00 38.56 ? 633 HOH A O 1 HETATM 13202 O O . HOH UA 7 . ? 0.135 -21.550 8.060 1.00 35.66 ? 634 HOH A O 1 HETATM 13203 O O . HOH UA 7 . ? 27.522 2.004 17.809 1.00 39.02 ? 635 HOH A O 1 HETATM 13204 O O . HOH UA 7 . ? 31.658 -5.699 16.495 1.00 40.29 ? 636 HOH A O 1 HETATM 13205 O O . HOH UA 7 . ? 23.269 -15.016 25.040 1.00 39.69 ? 637 HOH A O 1 HETATM 13206 O O . HOH UA 7 . ? 16.760 -30.078 41.902 1.00 35.39 ? 638 HOH A O 1 HETATM 13207 O O . HOH UA 7 . ? 18.944 3.785 22.789 1.00 36.06 ? 639 HOH A O 1 HETATM 13208 O O . HOH UA 7 . ? -9.379 -36.029 22.076 1.00 42.31 ? 640 HOH A O 1 HETATM 13209 O O . HOH UA 7 . ? 18.446 -30.872 30.284 1.00 40.97 ? 641 HOH A O 1 HETATM 13210 O O . HOH UA 7 . ? 19.708 -8.317 6.815 1.00 45.59 ? 642 HOH A O 1 HETATM 13211 O O . HOH UA 7 . ? -6.836 -11.920 33.447 1.00 39.56 ? 643 HOH A O 1 HETATM 13212 O O . HOH UA 7 . ? 2.065 -33.002 20.881 1.00 40.90 ? 644 HOH A O 1 HETATM 13213 O O . HOH UA 7 . ? -13.028 -23.491 1.551 1.00 32.84 ? 645 HOH A O 1 HETATM 13214 O O . HOH UA 7 . ? 19.665 4.735 20.303 1.00 44.64 ? 646 HOH A O 1 HETATM 13215 O O . HOH UA 7 . ? -12.439 -22.290 -1.461 1.00 37.60 ? 647 HOH A O 1 HETATM 13216 O O . HOH UA 7 . ? 16.770 9.116 33.946 1.00 48.46 ? 648 HOH A O 1 HETATM 13217 O O . HOH UA 7 . ? -11.057 -13.991 42.317 1.00 44.63 ? 649 HOH A O 1 HETATM 13218 O O . HOH UA 7 . ? -5.337 -2.451 -4.912 0.50 21.16 ? 650 HOH A O 1 HETATM 13219 O O . HOH UA 7 . ? 13.641 -27.481 25.553 1.00 36.83 ? 651 HOH A O 1 HETATM 13220 O O . HOH UA 7 . ? -0.088 -14.661 41.135 1.00 40.87 ? 652 HOH A O 1 HETATM 13221 O O . HOH UA 7 . ? -19.823 -23.639 15.011 1.00 45.86 ? 653 HOH A O 1 HETATM 13222 O O . HOH UA 7 . ? -17.411 -23.567 -0.819 1.00 48.80 ? 654 HOH A O 1 HETATM 13223 O O . HOH UA 7 . ? 11.438 6.704 29.328 1.00 47.51 ? 655 HOH A O 1 HETATM 13224 O O . HOH UA 7 . ? 5.653 1.039 29.048 1.00 45.95 ? 656 HOH A O 1 HETATM 13225 O O . HOH UA 7 . ? -4.000 -1.584 30.750 1.00 47.12 ? 657 HOH A O 1 HETATM 13226 O O . HOH UA 7 . ? 8.260 -2.429 19.095 1.00 38.70 ? 658 HOH A O 1 HETATM 13227 O O . HOH UA 7 . ? -10.280 -10.302 36.286 1.00 44.10 ? 659 HOH A O 1 HETATM 13228 O O . HOH UA 7 . ? 18.922 -3.461 6.417 1.00 50.67 ? 660 HOH A O 1 HETATM 13229 O O . HOH UA 7 . ? 21.796 6.482 16.761 1.00 45.55 ? 661 HOH A O 1 HETATM 13230 O O . HOH UA 7 . ? -1.613 -7.654 40.337 1.00 44.02 ? 662 HOH A O 1 HETATM 13231 O O . HOH UA 7 . ? 9.514 -10.067 1.394 1.00 49.43 ? 663 HOH A O 1 HETATM 13232 O O . HOH UA 7 . ? 20.317 -5.195 30.642 1.00 45.70 ? 664 HOH A O 1 HETATM 13233 O O . HOH UA 7 . ? 16.160 -13.469 30.974 1.00 48.81 ? 665 HOH A O 1 HETATM 13234 O O . HOH UA 7 . ? -23.147 4.900 9.632 1.00 54.01 ? 666 HOH A O 1 HETATM 13235 O O . HOH UA 7 . ? -21.380 -13.153 11.146 1.00 46.66 ? 667 HOH A O 1 HETATM 13236 O O . HOH UA 7 . ? -3.856 -6.649 38.724 1.00 47.96 ? 668 HOH A O 1 HETATM 13237 O O . HOH UA 7 . ? 15.556 -11.222 31.691 1.00 50.00 ? 669 HOH A O 1 HETATM 13238 O O . HOH UA 7 . ? 13.759 -9.396 32.290 1.00 38.46 ? 670 HOH A O 1 HETATM 13239 O O . HOH UA 7 . ? -16.942 -3.391 26.793 1.00 43.98 ? 671 HOH A O 1 HETATM 13240 O O . HOH UA 7 . ? -16.400 5.455 11.319 1.00 46.65 ? 672 HOH A O 1 HETATM 13241 O O . HOH UA 7 . ? 18.989 -27.827 37.886 1.00 40.44 ? 673 HOH A O 1 HETATM 13242 O O . HOH UA 7 . ? -16.567 -12.174 -2.143 1.00 44.03 ? 674 HOH A O 1 HETATM 13243 O O . HOH UA 7 . ? 3.519 -1.198 35.182 1.00 45.95 ? 675 HOH A O 1 HETATM 13244 O O . HOH UA 7 . ? 18.699 -16.554 37.454 1.00 48.76 ? 676 HOH A O 1 HETATM 13245 O O . HOH UA 7 . ? -18.928 6.156 15.879 1.00 56.05 ? 677 HOH A O 1 HETATM 13246 O O . HOH UA 7 . ? 12.680 -35.092 35.237 1.00 44.74 ? 678 HOH A O 1 HETATM 13247 O O . HOH UA 7 . ? 17.643 6.274 31.153 1.00 46.21 ? 679 HOH A O 1 HETATM 13248 O O . HOH UA 7 . ? -8.314 5.226 18.283 1.00 38.90 ? 680 HOH A O 1 HETATM 13249 O O . HOH UA 7 . ? 9.123 -16.375 25.911 1.00 37.99 ? 681 HOH A O 1 HETATM 13250 O O . HOH UA 7 . ? 27.364 -20.541 13.918 1.00 51.37 ? 682 HOH A O 1 HETATM 13251 O O . HOH UA 7 . ? -21.153 6.447 10.501 1.00 46.01 ? 683 HOH A O 1 HETATM 13252 O O . HOH UA 7 . ? 19.624 -21.220 36.647 1.00 44.52 ? 684 HOH A O 1 HETATM 13253 O O . HOH UA 7 . ? 7.180 -1.437 42.235 1.00 42.99 ? 685 HOH A O 1 HETATM 13254 O O . HOH UA 7 . ? -20.117 2.653 6.283 1.00 42.36 ? 686 HOH A O 1 HETATM 13255 O O . HOH UA 7 . ? -10.432 -34.825 26.497 1.00 45.99 ? 687 HOH A O 1 HETATM 13256 O O . HOH UA 7 . ? 9.256 -4.008 5.976 1.00 49.36 ? 688 HOH A O 1 HETATM 13257 O O . HOH UA 7 . ? 15.462 -15.333 43.794 1.00 45.27 ? 689 HOH A O 1 HETATM 13258 O O . HOH UA 7 . ? -5.028 -34.251 11.738 1.00 47.30 ? 690 HOH A O 1 HETATM 13259 O O . HOH UA 7 . ? 18.272 3.058 26.948 1.00 44.92 ? 691 HOH A O 1 HETATM 13260 O O . HOH UA 7 . ? 15.162 -23.855 43.100 1.00 37.44 ? 692 HOH A O 1 HETATM 13261 O O . HOH UA 7 . ? -25.247 -2.390 14.060 1.00 45.22 ? 693 HOH A O 1 HETATM 13262 O O . HOH UA 7 . ? -3.651 -2.495 -0.904 1.00 42.10 ? 694 HOH A O 1 HETATM 13263 O O . HOH UA 7 . ? 5.365 0.165 13.760 1.00 41.06 ? 695 HOH A O 1 HETATM 13264 O O . HOH UA 7 . ? -21.355 -13.903 -0.401 1.00 47.59 ? 696 HOH A O 1 HETATM 13265 O O . HOH UA 7 . ? 1.623 -1.695 33.296 1.00 39.69 ? 697 HOH A O 1 HETATM 13266 O O . HOH UA 7 . ? -9.624 -21.511 -0.866 1.00 49.55 ? 698 HOH A O 1 HETATM 13267 O O . HOH UA 7 . ? -17.896 -27.867 20.546 1.00 47.91 ? 699 HOH A O 1 HETATM 13268 O O . HOH UA 7 . ? -25.196 -0.300 15.750 1.00 47.09 ? 700 HOH A O 1 HETATM 13269 O O . HOH UA 7 . ? -26.242 -4.378 16.033 1.00 42.80 ? 701 HOH A O 1 HETATM 13270 O O . HOH UA 7 . ? -12.205 -19.437 21.402 1.00 44.80 ? 702 HOH A O 1 HETATM 13271 O O . HOH UA 7 . ? -9.490 -22.699 23.031 0.80 27.90 ? 703 HOH A O 1 HETATM 13272 O O . HOH UA 7 . ? 13.957 -4.600 7.003 1.00 49.53 ? 704 HOH A O 1 HETATM 13273 O O . HOH UA 7 . ? -10.290 -26.738 35.921 1.00 48.19 ? 705 HOH A O 1 HETATM 13274 O O . HOH UA 7 . ? 5.674 -5.891 43.742 1.00 45.13 ? 706 HOH A O 1 HETATM 13275 O O . HOH UA 7 . ? 15.415 -5.843 36.033 1.00 47.47 ? 707 HOH A O 1 HETATM 13276 O O . HOH UA 7 . ? 7.886 -25.833 21.325 1.00 53.31 ? 708 HOH A O 1 HETATM 13277 O O . HOH UA 7 . ? -8.185 -14.546 37.715 1.00 46.57 ? 709 HOH A O 1 HETATM 13278 O O . HOH UA 7 . ? 17.424 -15.164 33.230 1.00 33.73 ? 710 HOH A O 1 HETATM 13279 O O . HOH UA 7 . ? 9.454 1.627 23.613 1.00 50.33 ? 711 HOH A O 1 HETATM 13280 O O . HOH UA 7 . ? 15.819 -11.050 6.505 1.00 48.81 ? 712 HOH A O 1 HETATM 13281 O O . HOH UA 7 . ? 14.995 -8.788 5.514 1.00 44.16 ? 713 HOH A O 1 HETATM 13282 O O . HOH UA 7 . ? 12.690 -25.274 44.050 1.00 36.49 ? 714 HOH A O 1 HETATM 13283 O O . HOH UA 7 . ? -2.493 -16.975 40.119 1.00 25.66 ? 715 HOH A O 1 HETATM 13284 O O . HOH UA 7 . ? 15.823 -12.743 40.349 1.00 40.00 ? 716 HOH A O 1 HETATM 13285 O O . HOH UA 7 . ? -24.893 -18.442 22.351 1.00 43.95 ? 717 HOH A O 1 HETATM 13286 O O . HOH UA 7 . ? -5.224 -16.618 38.462 1.00 25.79 ? 718 HOH A O 1 HETATM 13287 O O . HOH UA 7 . ? 24.188 -6.892 16.860 1.00 23.93 ? 719 HOH A O 1 HETATM 13288 O O . HOH UA 7 . ? 11.488 2.250 31.348 1.00 31.52 ? 720 HOH A O 1 HETATM 13289 O O . HOH UA 7 . ? -15.158 -5.201 0.385 1.00 35.03 ? 721 HOH A O 1 HETATM 13290 O O . HOH UA 7 . ? 23.953 -22.882 22.893 1.00 45.28 ? 722 HOH A O 1 HETATM 13291 O O . HOH UA 7 . ? 25.431 -2.309 24.214 1.00 39.53 ? 723 HOH A O 1 HETATM 13292 O O . HOH UA 7 . ? -13.251 -13.212 30.115 1.00 39.02 ? 724 HOH A O 1 HETATM 13293 O O . HOH UA 7 . ? 8.306 -9.348 3.533 1.00 35.99 ? 725 HOH A O 1 HETATM 13294 O O . HOH UA 7 . ? 4.995 -4.973 32.232 1.00 35.60 ? 726 HOH A O 1 HETATM 13295 O O . HOH UA 7 . ? -7.304 -31.395 6.008 1.00 44.12 ? 727 HOH A O 1 HETATM 13296 O O . HOH UA 7 . ? 4.001 0.875 19.752 1.00 40.66 ? 728 HOH A O 1 HETATM 13297 O O . HOH UA 7 . ? 19.595 -19.058 31.256 1.00 42.08 ? 729 HOH A O 1 HETATM 13298 O O . HOH UA 7 . ? 25.773 -5.184 24.456 1.00 44.99 ? 730 HOH A O 1 HETATM 13299 O O . HOH UA 7 . ? 18.370 4.219 29.567 1.00 45.34 ? 731 HOH A O 1 HETATM 13300 O O . HOH UA 7 . ? -18.506 0.871 0.516 1.00 30.92 ? 732 HOH A O 1 HETATM 13301 O O . HOH UA 7 . ? -10.147 6.202 16.527 0.50 26.00 ? 733 HOH A O 1 HETATM 13302 O O . HOH UA 7 . ? 18.028 -10.317 9.043 1.00 36.91 ? 734 HOH A O 1 HETATM 13303 O O . HOH UA 7 . ? 5.107 -1.655 22.232 1.00 30.82 ? 735 HOH A O 1 HETATM 13304 O O . HOH UA 7 . ? -4.653 3.081 12.309 1.00 29.81 ? 736 HOH A O 1 HETATM 13305 O O . HOH UA 7 . ? 29.393 -2.175 13.283 1.00 38.88 ? 737 HOH A O 1 HETATM 13306 O O . HOH UA 7 . ? -6.305 -13.693 31.744 1.00 39.12 ? 738 HOH A O 1 HETATM 13307 O O . HOH UA 7 . ? -23.150 -9.675 13.476 1.00 33.81 ? 739 HOH A O 1 HETATM 13308 O O . HOH UA 7 . ? 17.832 -17.653 31.551 1.00 39.16 ? 740 HOH A O 1 HETATM 13309 O O . HOH UA 7 . ? 16.643 6.337 13.540 1.00 42.50 ? 741 HOH A O 1 HETATM 13310 O O . HOH UA 7 . ? 3.994 -1.120 5.494 1.00 43.33 ? 742 HOH A O 1 HETATM 13311 O O . HOH UA 7 . ? 6.442 -28.404 26.506 1.00 23.66 ? 743 HOH A O 1 HETATM 13312 O O . HOH UA 7 . ? 10.771 -22.906 1.165 1.00 40.73 ? 744 HOH A O 1 HETATM 13313 O O . HOH UA 7 . ? -24.384 -21.499 19.527 0.50 33.59 ? 745 HOH A O 1 HETATM 13314 O O . HOH UA 7 . ? -1.478 4.737 17.721 1.00 40.75 ? 746 HOH A O 1 HETATM 13315 O O . HOH UA 7 . ? 1.259 -9.429 1.320 1.00 40.57 ? 747 HOH A O 1 HETATM 13316 O O . HOH UA 7 . ? -13.998 -5.807 -4.006 1.00 35.59 ? 748 HOH A O 1 HETATM 13317 O O . HOH UA 7 . ? 23.176 -1.125 7.396 1.00 42.14 ? 749 HOH A O 1 HETATM 13318 O O . HOH UA 7 . ? -20.164 -5.568 4.550 1.00 39.60 ? 750 HOH A O 1 HETATM 13319 O O . HOH UA 7 . ? -2.260 1.216 28.221 1.00 38.03 ? 751 HOH A O 1 HETATM 13320 O O . HOH UA 7 . ? 7.496 2.666 29.111 1.00 37.43 ? 752 HOH A O 1 HETATM 13321 O O . HOH UA 7 . ? -5.974 -24.162 1.050 1.00 40.24 ? 753 HOH A O 1 HETATM 13322 O O . HOH UA 7 . ? 21.285 -27.480 28.702 1.00 39.55 ? 754 HOH A O 1 HETATM 13323 O O . HOH UA 7 . ? -19.575 4.190 21.524 1.00 47.61 ? 755 HOH A O 1 HETATM 13324 O O . HOH UA 7 . ? 17.280 -19.938 36.608 1.00 36.82 ? 756 HOH A O 1 HETATM 13325 O O . HOH UA 7 . ? -7.238 -26.691 22.419 1.00 19.58 ? 757 HOH A O 1 HETATM 13326 O O . HOH UA 7 . ? 21.594 -24.939 27.347 1.00 39.47 ? 758 HOH A O 1 HETATM 13327 O O . HOH UA 7 . ? -19.339 -3.761 28.305 1.00 56.90 ? 759 HOH A O 1 HETATM 13328 O O . HOH UA 7 . ? -6.989 -8.715 -5.143 1.00 49.83 ? 760 HOH A O 1 HETATM 13329 O O . HOH UA 7 . ? -9.427 -31.039 6.318 1.00 41.65 ? 761 HOH A O 1 HETATM 13330 O O . HOH UA 7 . ? 16.214 -8.992 39.422 1.00 62.05 ? 762 HOH A O 1 HETATM 13331 O O . HOH UA 7 . ? -23.179 -6.777 12.427 1.00 37.87 ? 763 HOH A O 1 HETATM 13332 O O . HOH UA 7 . ? 7.535 1.032 9.823 1.00 45.12 ? 764 HOH A O 1 HETATM 13333 O O . HOH UA 7 . ? 16.825 -4.520 38.345 1.00 62.20 ? 765 HOH A O 1 HETATM 13334 O O . HOH UA 7 . ? -13.283 -35.885 19.357 1.00 60.25 ? 766 HOH A O 1 HETATM 13335 O O . HOH UA 7 . ? -8.957 -37.001 17.678 1.00 44.01 ? 767 HOH A O 1 HETATM 13336 O O . HOH UA 7 . ? -17.592 -7.090 26.604 1.00 52.82 ? 768 HOH A O 1 HETATM 13337 O O . HOH UA 7 . ? -16.170 -5.327 2.452 1.00 40.73 ? 769 HOH A O 1 HETATM 13338 O O . HOH UA 7 . ? 12.298 -7.216 4.608 1.00 44.29 ? 770 HOH A O 1 HETATM 13339 O O . HOH UA 7 . ? 0.408 -6.627 1.997 1.00 24.64 ? 771 HOH A O 1 HETATM 13340 O O . HOH UA 7 . ? 11.404 5.056 31.770 1.00 51.33 ? 772 HOH A O 1 HETATM 13341 O O . HOH UA 7 . ? 9.659 -12.657 -3.299 1.00 51.11 ? 773 HOH A O 1 HETATM 13342 O O . HOH UA 7 . ? 22.516 4.924 20.429 1.00 49.66 ? 774 HOH A O 1 HETATM 13343 O O . HOH UA 7 . ? -9.312 -7.690 35.944 1.00 44.72 ? 775 HOH A O 1 HETATM 13344 O O . HOH UA 7 . ? -1.388 -2.486 0.425 1.00 49.56 ? 776 HOH A O 1 HETATM 13345 O O . HOH UA 7 . ? 4.598 -1.593 32.193 1.00 47.15 ? 777 HOH A O 1 HETATM 13346 O O . HOH UA 7 . ? -17.858 -31.209 19.631 1.00 55.62 ? 778 HOH A O 1 HETATM 13347 O O . HOH UA 7 . ? -20.205 4.133 18.444 1.00 50.00 ? 779 HOH A O 1 HETATM 13348 O O . HOH UA 7 . ? -10.252 6.208 11.597 0.50 22.97 ? 780 HOH A O 1 HETATM 13349 O O . HOH VA 7 . ? 3.251 53.180 45.594 0.50 27.60 ? 501 HOH B O 1 HETATM 13350 O O . HOH VA 7 . ? 7.175 29.573 47.245 1.00 50.56 ? 502 HOH B O 1 HETATM 13351 O O . HOH VA 7 . ? 11.998 51.308 47.235 1.00 43.16 ? 503 HOH B O 1 HETATM 13352 O O . HOH VA 7 . ? 13.388 30.923 49.063 1.00 46.90 ? 504 HOH B O 1 HETATM 13353 O O . HOH VA 7 . ? 6.280 37.049 49.683 1.00 16.86 ? 505 HOH B O 1 HETATM 13354 O O . HOH VA 7 . ? -1.887 38.177 51.867 1.00 22.80 ? 506 HOH B O 1 HETATM 13355 O O . HOH VA 7 . ? -4.510 58.270 29.148 1.00 33.39 ? 507 HOH B O 1 HETATM 13356 O O . HOH VA 7 . ? 3.345 29.585 48.527 1.00 40.59 ? 508 HOH B O 1 HETATM 13357 O O . HOH VA 7 . ? -0.417 53.479 51.178 1.00 37.88 ? 509 HOH B O 1 HETATM 13358 O O . HOH VA 7 . ? 6.338 45.817 47.244 1.00 45.54 ? 510 HOH B O 1 HETATM 13359 O O . HOH VA 7 . ? -7.874 43.465 49.683 1.00 41.54 ? 511 HOH B O 1 HETATM 13360 O O . HOH VA 7 . ? -0.106 59.433 40.495 1.00 30.88 ? 512 HOH B O 1 HETATM 13361 O O . HOH VA 7 . ? 10.560 47.488 45.063 1.00 39.63 ? 513 HOH B O 1 HETATM 13362 O O . HOH VA 7 . ? 4.300 46.004 48.430 1.00 27.36 ? 514 HOH B O 1 HETATM 13363 O O . HOH VA 7 . ? -3.602 54.353 29.459 1.00 53.55 ? 515 HOH B O 1 HETATM 13364 O O . HOH VA 7 . ? 9.923 42.862 46.868 1.00 29.10 ? 516 HOH B O 1 HETATM 13365 O O . HOH VA 7 . ? -4.830 60.929 38.485 1.00 44.06 ? 517 HOH B O 1 HETATM 13366 O O . HOH VA 7 . ? 11.449 36.137 45.144 1.00 30.81 ? 518 HOH B O 1 HETATM 13367 O O . HOH VA 7 . ? 2.013 38.825 49.083 1.00 18.04 ? 519 HOH B O 1 HETATM 13368 O O . HOH VA 7 . ? -2.475 50.025 50.721 1.00 45.22 ? 520 HOH B O 1 HETATM 13369 O O . HOH VA 7 . ? 8.294 47.840 46.255 1.00 27.84 ? 521 HOH B O 1 HETATM 13370 O O . HOH VA 7 . ? -2.217 37.996 55.088 1.00 34.53 ? 522 HOH B O 1 HETATM 13371 O O . HOH VA 7 . ? 1.345 32.957 52.522 1.00 46.82 ? 523 HOH B O 1 HETATM 13372 O O . HOH VA 7 . ? -0.186 35.628 54.918 1.00 40.26 ? 524 HOH B O 1 HETATM 13373 O O . HOH VA 7 . ? -3.024 52.479 52.159 1.00 45.08 ? 525 HOH B O 1 HETATM 13374 O O . HOH VA 7 . ? 4.301 35.085 49.457 1.00 25.60 ? 526 HOH B O 1 HETATM 13375 O O . HOH VA 7 . ? -2.851 59.293 39.925 1.00 51.83 ? 527 HOH B O 1 HETATM 13376 O O . HOH VA 7 . ? 1.231 32.074 24.628 1.00 15.05 ? 528 HOH B O 1 HETATM 13377 O O . HOH VA 7 . ? 3.030 36.722 47.683 1.00 15.47 ? 529 HOH B O 1 HETATM 13378 O O . HOH VA 7 . ? 6.419 26.526 36.298 1.00 19.27 ? 530 HOH B O 1 HETATM 13379 O O . HOH VA 7 . ? -5.310 32.737 36.049 1.00 19.50 ? 531 HOH B O 1 HETATM 13380 O O . HOH VA 7 . ? 2.420 30.522 10.328 1.00 20.14 ? 532 HOH B O 1 HETATM 13381 O O . HOH VA 7 . ? -15.096 24.786 30.393 1.00 23.61 ? 533 HOH B O 1 HETATM 13382 O O . HOH VA 7 . ? -5.211 18.835 26.233 1.00 21.47 ? 534 HOH B O 1 HETATM 13383 O O . HOH VA 7 . ? 5.984 14.174 2.889 1.00 19.91 ? 535 HOH B O 1 HETATM 13384 O O . HOH VA 7 . ? -4.388 31.761 29.673 1.00 19.56 ? 536 HOH B O 1 HETATM 13385 O O . HOH VA 7 . ? -2.124 10.742 4.194 1.00 21.31 ? 537 HOH B O 1 HETATM 13386 O O . HOH VA 7 . ? 9.477 41.735 41.040 1.00 22.70 ? 538 HOH B O 1 HETATM 13387 O O . HOH VA 7 . ? 4.665 36.282 45.370 1.00 17.43 ? 539 HOH B O 1 HETATM 13388 O O . HOH VA 7 . ? 10.816 3.511 19.452 1.00 22.64 ? 540 HOH B O 1 HETATM 13389 O O . HOH VA 7 . ? -10.975 29.497 30.545 1.00 22.35 ? 541 HOH B O 1 HETATM 13390 O O . HOH VA 7 . ? 1.585 16.664 33.757 1.00 26.12 ? 542 HOH B O 1 HETATM 13391 O O . HOH VA 7 . ? 10.896 48.791 39.718 1.00 26.14 ? 543 HOH B O 1 HETATM 13392 O O . HOH VA 7 . ? -9.347 16.617 24.369 1.00 26.65 ? 544 HOH B O 1 HETATM 13393 O O . HOH VA 7 . ? 10.442 36.856 21.335 1.00 22.09 ? 545 HOH B O 1 HETATM 13394 O O . HOH VA 7 . ? 6.527 -0.345 15.993 1.00 20.26 ? 546 HOH B O 1 HETATM 13395 O O . HOH VA 7 . ? -4.320 16.331 28.701 1.00 21.36 ? 547 HOH B O 1 HETATM 13396 O O . HOH VA 7 . ? 18.797 15.130 21.341 1.00 27.98 ? 548 HOH B O 1 HETATM 13397 O O . HOH VA 7 . ? -10.991 23.551 1.974 1.00 35.45 ? 549 HOH B O 1 HETATM 13398 O O . HOH VA 7 . ? 4.750 41.930 28.601 1.00 20.79 ? 550 HOH B O 1 HETATM 13399 O O . HOH VA 7 . ? 11.108 36.951 12.222 1.00 28.99 ? 551 HOH B O 1 HETATM 13400 O O . HOH VA 7 . ? -3.750 23.561 35.198 1.00 21.92 ? 552 HOH B O 1 HETATM 13401 O O . HOH VA 7 . ? 14.379 42.859 36.572 0.50 8.61 ? 553 HOH B O 1 HETATM 13402 O O . HOH VA 7 . ? 11.497 38.793 23.028 1.00 23.89 ? 554 HOH B O 1 HETATM 13403 O O . HOH VA 7 . ? -6.548 31.197 27.995 1.00 23.05 ? 555 HOH B O 1 HETATM 13404 O O . HOH VA 7 . ? -2.959 15.642 34.406 1.00 33.30 ? 556 HOH B O 1 HETATM 13405 O O . HOH VA 7 . ? -0.484 32.131 9.094 1.00 22.55 ? 557 HOH B O 1 HETATM 13406 O O . HOH VA 7 . ? 7.210 34.984 43.121 1.00 24.03 ? 558 HOH B O 1 HETATM 13407 O O . HOH VA 7 . ? 18.409 8.752 17.255 1.00 29.36 ? 559 HOH B O 1 HETATM 13408 O O . HOH VA 7 . ? 19.603 6.960 23.764 1.00 32.10 ? 560 HOH B O 1 HETATM 13409 O O . HOH VA 7 . ? 19.243 17.361 20.025 1.00 28.13 ? 561 HOH B O 1 HETATM 13410 O O . HOH VA 7 . ? -7.653 15.459 18.854 1.00 25.84 ? 562 HOH B O 1 HETATM 13411 O O . HOH VA 7 . ? 18.989 8.635 30.670 1.00 26.93 ? 563 HOH B O 1 HETATM 13412 O O . HOH VA 7 . ? 5.438 -1.221 18.386 1.00 26.81 ? 564 HOH B O 1 HETATM 13413 O O . HOH VA 7 . ? -4.330 20.276 14.400 1.00 27.80 ? 565 HOH B O 1 HETATM 13414 O O . HOH VA 7 . ? -11.306 33.690 43.497 1.00 31.38 ? 566 HOH B O 1 HETATM 13415 O O . HOH VA 7 . ? -7.017 18.984 30.265 1.00 29.61 ? 567 HOH B O 1 HETATM 13416 O O . HOH VA 7 . ? -1.389 22.459 0.932 1.00 27.36 ? 568 HOH B O 1 HETATM 13417 O O . HOH VA 7 . ? 6.959 41.931 12.793 1.00 28.37 ? 569 HOH B O 1 HETATM 13418 O O . HOH VA 7 . ? 12.399 31.887 22.014 1.00 23.67 ? 570 HOH B O 1 HETATM 13419 O O . HOH VA 7 . ? -0.465 11.053 15.610 1.00 33.15 ? 571 HOH B O 1 HETATM 13420 O O . HOH VA 7 . ? 3.662 5.148 20.032 1.00 35.82 ? 572 HOH B O 1 HETATM 13421 O O . HOH VA 7 . ? -13.453 23.031 16.121 1.00 31.62 ? 573 HOH B O 1 HETATM 13422 O O . HOH VA 7 . ? 15.733 12.940 11.820 1.00 25.55 ? 574 HOH B O 1 HETATM 13423 O O . HOH VA 7 . ? 4.153 24.200 41.585 1.00 35.73 ? 575 HOH B O 1 HETATM 13424 O O . HOH VA 7 . ? -4.583 50.776 44.815 1.00 31.27 ? 576 HOH B O 1 HETATM 13425 O O . HOH VA 7 . ? -7.840 17.723 26.531 1.00 32.90 ? 577 HOH B O 1 HETATM 13426 O O . HOH VA 7 . ? -2.987 10.069 26.522 1.00 31.22 ? 578 HOH B O 1 HETATM 13427 O O . HOH VA 7 . ? -2.288 12.333 6.638 1.00 27.93 ? 579 HOH B O 1 HETATM 13428 O O . HOH VA 7 . ? 10.816 44.440 28.452 1.00 31.09 ? 580 HOH B O 1 HETATM 13429 O O . HOH VA 7 . ? -14.958 31.822 20.027 1.00 26.02 ? 581 HOH B O 1 HETATM 13430 O O . HOH VA 7 . ? 18.322 6.505 15.935 1.00 38.42 ? 582 HOH B O 1 HETATM 13431 O O . HOH VA 7 . ? 3.054 41.530 20.724 1.00 34.84 ? 583 HOH B O 1 HETATM 13432 O O . HOH VA 7 . ? -10.634 28.563 37.286 1.00 30.20 ? 584 HOH B O 1 HETATM 13433 O O . HOH VA 7 . ? -20.883 29.171 23.861 1.00 32.24 ? 585 HOH B O 1 HETATM 13434 O O . HOH VA 7 . ? -7.476 33.863 27.786 1.00 33.70 ? 586 HOH B O 1 HETATM 13435 O O . HOH VA 7 . ? 7.535 20.127 -2.439 1.00 31.92 ? 587 HOH B O 1 HETATM 13436 O O . HOH VA 7 . ? -10.399 47.456 32.368 1.00 38.68 ? 588 HOH B O 1 HETATM 13437 O O . HOH VA 7 . ? 18.163 11.352 32.748 1.00 39.17 ? 589 HOH B O 1 HETATM 13438 O O . HOH VA 7 . ? -21.172 34.350 32.025 1.00 37.31 ? 590 HOH B O 1 HETATM 13439 O O . HOH VA 7 . ? 17.035 29.013 4.405 1.00 32.92 ? 591 HOH B O 1 HETATM 13440 O O . HOH VA 7 . ? -13.984 25.222 45.782 1.00 40.40 ? 592 HOH B O 1 HETATM 13441 O O . HOH VA 7 . ? -11.838 18.675 41.181 1.00 37.95 ? 593 HOH B O 1 HETATM 13442 O O . HOH VA 7 . ? -9.281 31.073 10.994 1.00 34.10 ? 594 HOH B O 1 HETATM 13443 O O . HOH VA 7 . ? 18.937 13.019 18.724 1.00 40.39 ? 595 HOH B O 1 HETATM 13444 O O . HOH VA 7 . ? 9.566 20.034 34.618 1.00 36.32 ? 596 HOH B O 1 HETATM 13445 O O . HOH VA 7 . ? 13.425 3.343 23.268 1.00 32.51 ? 597 HOH B O 1 HETATM 13446 O O . HOH VA 7 . ? -4.188 23.724 39.028 1.00 39.99 ? 598 HOH B O 1 HETATM 13447 O O . HOH VA 7 . ? -1.609 5.054 24.858 1.00 45.73 ? 599 HOH B O 1 HETATM 13448 O O . HOH VA 7 . ? 14.018 46.097 28.235 1.00 40.64 ? 600 HOH B O 1 HETATM 13449 O O . HOH VA 7 . ? -4.423 13.358 7.867 1.00 39.45 ? 601 HOH B O 1 HETATM 13450 O O . HOH VA 7 . ? -10.198 39.448 47.548 1.00 36.81 ? 602 HOH B O 1 HETATM 13451 O O . HOH VA 7 . ? -3.834 8.990 28.992 1.00 47.35 ? 603 HOH B O 1 HETATM 13452 O O . HOH VA 7 . ? 11.562 32.383 3.580 1.00 35.21 ? 604 HOH B O 1 HETATM 13453 O O . HOH VA 7 . ? 8.326 38.287 5.675 1.00 35.55 ? 605 HOH B O 1 HETATM 13454 O O . HOH VA 7 . ? 21.377 36.770 17.124 1.00 34.92 ? 606 HOH B O 1 HETATM 13455 O O . HOH VA 7 . ? 9.489 48.670 37.284 1.00 31.67 ? 607 HOH B O 1 HETATM 13456 O O . HOH VA 7 . ? 16.177 46.777 20.316 1.00 39.89 ? 608 HOH B O 1 HETATM 13457 O O . HOH VA 7 . ? 7.270 26.522 0.580 1.00 36.57 ? 609 HOH B O 1 HETATM 13458 O O . HOH VA 7 . ? -4.128 54.722 35.355 1.00 41.51 ? 610 HOH B O 1 HETATM 13459 O O . HOH VA 7 . ? 15.228 30.163 2.462 1.00 36.52 ? 611 HOH B O 1 HETATM 13460 O O . HOH VA 7 . ? -23.088 24.817 33.186 1.00 31.27 ? 612 HOH B O 1 HETATM 13461 O O . HOH VA 7 . ? -7.243 21.735 18.536 1.00 30.76 ? 613 HOH B O 1 HETATM 13462 O O . HOH VA 7 . ? -19.259 24.728 15.248 1.00 40.97 ? 614 HOH B O 1 HETATM 13463 O O . HOH VA 7 . ? -11.251 36.804 45.777 1.00 40.61 ? 615 HOH B O 1 HETATM 13464 O O . HOH VA 7 . ? 24.300 31.656 19.599 1.00 41.64 ? 616 HOH B O 1 HETATM 13465 O O . HOH VA 7 . ? 21.314 30.870 15.135 1.00 49.26 ? 617 HOH B O 1 HETATM 13466 O O . HOH VA 7 . ? 15.271 15.188 31.947 1.00 39.60 ? 618 HOH B O 1 HETATM 13467 O O . HOH VA 7 . ? 20.581 16.622 16.643 1.00 40.47 ? 619 HOH B O 1 HETATM 13468 O O . HOH VA 7 . ? 13.313 43.109 29.317 1.00 24.26 ? 620 HOH B O 1 HETATM 13469 O O . HOH VA 7 . ? 12.559 29.935 3.095 1.00 39.71 ? 621 HOH B O 1 HETATM 13470 O O . HOH VA 7 . ? 26.009 25.996 22.880 1.00 48.89 ? 622 HOH B O 1 HETATM 13471 O O . HOH VA 7 . ? -2.450 7.956 24.632 1.00 49.90 ? 623 HOH B O 1 HETATM 13472 O O . HOH VA 7 . ? -10.868 50.840 39.558 1.00 46.71 ? 624 HOH B O 1 HETATM 13473 O O . HOH VA 7 . ? -4.470 48.155 45.759 1.00 38.06 ? 625 HOH B O 1 HETATM 13474 O O . HOH VA 7 . ? -0.273 3.670 26.474 1.00 47.34 ? 626 HOH B O 1 HETATM 13475 O O . HOH VA 7 . ? -0.128 31.777 21.157 1.00 36.95 ? 627 HOH B O 1 HETATM 13476 O O . HOH VA 7 . ? -11.619 30.418 39.025 1.00 42.51 ? 628 HOH B O 1 HETATM 13477 O O . HOH VA 7 . ? -20.224 36.881 31.921 1.00 41.90 ? 629 HOH B O 1 HETATM 13478 O O . HOH VA 7 . ? 5.591 2.998 16.277 1.00 38.62 ? 630 HOH B O 1 HETATM 13479 O O . HOH VA 7 . ? 21.582 13.909 20.515 0.70 31.44 ? 631 HOH B O 1 HETATM 13480 O O . HOH VA 7 . ? 0.379 38.642 21.885 1.00 47.26 ? 632 HOH B O 1 HETATM 13481 O O . HOH VA 7 . ? -10.718 17.030 32.102 1.00 43.55 ? 633 HOH B O 1 HETATM 13482 O O . HOH VA 7 . ? -22.673 41.740 27.069 1.00 51.40 ? 634 HOH B O 1 HETATM 13483 O O . HOH VA 7 . ? -10.730 18.231 38.567 1.00 43.69 ? 635 HOH B O 1 HETATM 13484 O O . HOH VA 7 . ? -3.626 50.251 29.453 1.00 42.87 ? 636 HOH B O 1 HETATM 13485 O O . HOH VA 7 . ? -2.640 29.167 1.273 1.00 58.60 ? 637 HOH B O 1 HETATM 13486 O O . HOH VA 7 . ? 3.186 9.679 0.948 1.00 59.76 ? 638 HOH B O 1 HETATM 13487 O O . HOH VA 7 . ? -4.587 18.491 8.885 1.00 16.86 ? 639 HOH B O 1 HETATM 13488 O O . HOH VA 7 . ? -21.709 31.803 23.166 1.00 38.46 ? 640 HOH B O 1 HETATM 13489 O O . HOH VA 7 . ? 19.131 14.928 23.669 1.00 35.41 ? 641 HOH B O 1 HETATM 13490 O O . HOH VA 7 . ? -5.979 52.990 36.358 1.00 43.06 ? 642 HOH B O 1 HETATM 13491 O O . HOH VA 7 . ? -14.670 18.541 34.565 1.00 43.08 ? 643 HOH B O 1 HETATM 13492 O O . HOH VA 7 . ? -8.100 24.579 9.505 1.00 43.88 ? 644 HOH B O 1 HETATM 13493 O O . HOH VA 7 . ? 17.466 46.240 24.702 1.00 47.77 ? 645 HOH B O 1 HETATM 13494 O O . HOH VA 7 . ? 6.854 9.929 29.840 1.00 51.39 ? 646 HOH B O 1 HETATM 13495 O O . HOH VA 7 . ? 9.625 44.783 11.378 1.00 49.80 ? 647 HOH B O 1 HETATM 13496 O O . HOH VA 7 . ? -17.807 42.047 25.986 1.00 51.52 ? 648 HOH B O 1 HETATM 13497 O O . HOH VA 7 . ? -6.673 46.569 31.184 1.00 43.02 ? 649 HOH B O 1 HETATM 13498 O O . HOH VA 7 . ? -12.397 22.445 12.472 1.00 39.78 ? 650 HOH B O 1 HETATM 13499 O O . HOH VA 7 . ? 11.425 28.624 0.918 1.00 42.87 ? 651 HOH B O 1 HETATM 13500 O O . HOH VA 7 . ? -6.572 23.566 6.803 1.00 58.13 ? 652 HOH B O 1 HETATM 13501 O O . HOH VA 7 . ? -17.947 22.034 37.937 1.00 39.67 ? 653 HOH B O 1 HETATM 13502 O O . HOH VA 7 . ? 14.465 30.384 44.877 1.00 54.66 ? 654 HOH B O 1 HETATM 13503 O O . HOH VA 7 . ? 19.355 44.785 19.748 1.00 61.47 ? 655 HOH B O 1 HETATM 13504 O O . HOH VA 7 . ? -12.101 15.395 18.874 1.00 52.67 ? 656 HOH B O 1 HETATM 13505 O O . HOH VA 7 . ? 9.469 12.223 5.608 1.00 40.64 ? 657 HOH B O 1 HETATM 13506 O O . HOH VA 7 . ? 0.952 21.312 41.375 1.00 43.84 ? 658 HOH B O 1 HETATM 13507 O O . HOH VA 7 . ? -18.585 18.952 33.156 1.00 48.93 ? 659 HOH B O 1 HETATM 13508 O O . HOH VA 7 . ? 2.376 24.852 0.048 1.00 34.14 ? 660 HOH B O 1 HETATM 13509 O O . HOH VA 7 . ? -6.857 13.594 15.372 1.00 40.28 ? 661 HOH B O 1 HETATM 13510 O O . HOH VA 7 . ? -7.726 46.845 45.550 1.00 43.02 ? 662 HOH B O 1 HETATM 13511 O O . HOH VA 7 . ? -3.438 32.799 5.843 1.00 45.77 ? 663 HOH B O 1 HETATM 13512 O O . HOH VA 7 . ? -11.906 18.264 34.047 1.00 42.77 ? 664 HOH B O 1 HETATM 13513 O O . HOH VA 7 . ? 8.420 2.539 20.191 1.00 38.76 ? 665 HOH B O 1 HETATM 13514 O O . HOH VA 7 . ? 21.457 36.544 19.762 1.00 50.20 ? 666 HOH B O 1 HETATM 13515 O O . HOH VA 7 . ? 1.350 35.681 11.916 1.00 42.88 ? 667 HOH B O 1 HETATM 13516 O O . HOH VA 7 . ? -20.429 32.465 33.924 1.00 43.11 ? 668 HOH B O 1 HETATM 13517 O O . HOH VA 7 . ? 8.587 3.057 7.657 1.00 50.69 ? 669 HOH B O 1 HETATM 13518 O O . HOH VA 7 . ? -10.621 23.771 10.346 1.00 41.91 ? 670 HOH B O 1 HETATM 13519 O O . HOH VA 7 . ? 6.593 1.962 12.270 1.00 42.59 ? 671 HOH B O 1 HETATM 13520 O O . HOH VA 7 . ? 0.368 33.642 11.145 1.00 37.40 ? 672 HOH B O 1 HETATM 13521 O O . HOH VA 7 . ? -10.396 15.817 15.474 1.00 40.94 ? 673 HOH B O 1 HETATM 13522 O O . HOH VA 7 . ? 9.038 33.564 41.108 1.00 30.58 ? 674 HOH B O 1 HETATM 13523 O O . HOH VA 7 . ? 5.493 32.746 42.286 1.00 29.63 ? 675 HOH B O 1 HETATM 13524 O O . HOH VA 7 . ? -20.975 24.727 37.369 1.00 40.11 ? 676 HOH B O 1 HETATM 13525 O O . HOH VA 7 . ? -12.857 34.431 36.583 1.00 40.36 ? 677 HOH B O 1 HETATM 13526 O O . HOH VA 7 . ? -31.014 24.333 24.466 1.00 52.97 ? 678 HOH B O 1 HETATM 13527 O O . HOH VA 7 . ? -0.462 45.605 27.879 1.00 25.01 ? 679 HOH B O 1 HETATM 13528 O O . HOH VA 7 . ? -1.120 31.070 51.009 1.00 38.33 ? 680 HOH B O 1 HETATM 13529 O O . HOH VA 7 . ? 25.604 24.547 24.884 1.00 40.14 ? 681 HOH B O 1 HETATM 13530 O O . HOH VA 7 . ? 18.345 8.354 12.130 1.00 47.68 ? 682 HOH B O 1 HETATM 13531 O O . HOH VA 7 . ? -18.940 41.424 23.351 1.00 40.88 ? 683 HOH B O 1 HETATM 13532 O O . HOH VA 7 . ? -1.685 11.859 11.897 1.00 31.20 ? 684 HOH B O 1 HETATM 13533 O O . HOH VA 7 . ? -10.124 19.818 27.053 1.00 42.21 ? 685 HOH B O 1 HETATM 13534 O O . HOH VA 7 . ? -13.427 39.412 35.949 1.00 29.80 ? 686 HOH B O 1 HETATM 13535 O O . HOH VA 7 . ? 3.055 8.427 7.150 1.00 42.13 ? 687 HOH B O 1 HETATM 13536 O O . HOH VA 7 . ? -12.603 41.480 40.529 1.00 38.00 ? 688 HOH B O 1 HETATM 13537 O O . HOH VA 7 . ? -13.165 37.161 38.400 1.00 30.79 ? 689 HOH B O 1 HETATM 13538 O O . HOH VA 7 . ? -13.924 29.030 39.908 1.00 35.20 ? 690 HOH B O 1 HETATM 13539 O O . HOH VA 7 . ? 7.652 39.363 11.926 1.00 34.12 ? 691 HOH B O 1 HETATM 13540 O O . HOH VA 7 . ? 16.175 45.332 17.881 1.00 34.17 ? 692 HOH B O 1 HETATM 13541 O O . HOH VA 7 . ? -15.293 29.806 36.764 1.00 33.15 ? 693 HOH B O 1 HETATM 13542 O O . HOH VA 7 . ? -24.632 27.823 26.041 1.00 36.48 ? 694 HOH B O 1 HETATM 13543 O O . HOH VA 7 . ? -25.178 29.957 30.431 1.00 38.42 ? 695 HOH B O 1 HETATM 13544 O O . HOH VA 7 . ? -23.767 29.395 28.319 1.00 35.52 ? 696 HOH B O 1 HETATM 13545 O O . HOH VA 7 . ? 9.319 37.795 29.102 0.80 29.03 ? 697 HOH B O 1 HETATM 13546 O O . HOH VA 7 . ? 14.068 5.317 13.338 1.00 24.23 ? 698 HOH B O 1 HETATM 13547 O O . HOH VA 7 . ? -4.556 17.468 23.431 1.00 26.83 ? 699 HOH B O 1 HETATM 13548 O O . HOH VA 7 . ? 5.102 11.129 4.228 1.00 50.67 ? 700 HOH B O 1 HETATM 13549 O O . HOH VA 7 . ? -19.141 27.614 39.283 1.00 56.03 ? 701 HOH B O 1 HETATM 13550 O O . HOH VA 7 . ? -14.864 41.143 35.733 1.00 48.50 ? 702 HOH B O 1 HETATM 13551 O O . HOH VA 7 . ? 8.916 27.692 36.981 1.00 43.86 ? 703 HOH B O 1 HETATM 13552 O O . HOH VA 7 . ? -7.051 15.664 28.636 1.00 45.63 ? 704 HOH B O 1 HETATM 13553 O O . HOH VA 7 . ? 19.932 14.031 16.188 1.00 44.52 ? 705 HOH B O 1 HETATM 13554 O O . HOH VA 7 . ? 5.837 5.289 25.422 1.00 49.07 ? 706 HOH B O 1 HETATM 13555 O O . HOH VA 7 . ? -8.473 14.922 13.633 1.00 53.65 ? 707 HOH B O 1 HETATM 13556 O O . HOH VA 7 . ? 14.656 11.582 9.522 1.00 40.70 ? 708 HOH B O 1 HETATM 13557 O O . HOH VA 7 . ? -15.715 46.174 30.214 1.00 46.26 ? 709 HOH B O 1 HETATM 13558 O O . HOH VA 7 . ? 4.453 33.681 44.684 1.00 42.59 ? 710 HOH B O 1 HETATM 13559 O O . HOH VA 7 . ? 17.609 14.379 32.807 1.00 54.28 ? 711 HOH B O 1 HETATM 13560 O O . HOH VA 7 . ? -13.269 32.330 37.735 1.00 42.11 ? 712 HOH B O 1 HETATM 13561 O O . HOH VA 7 . ? 1.015 8.467 2.464 1.00 52.61 ? 713 HOH B O 1 HETATM 13562 O O . HOH VA 7 . ? 5.441 4.144 13.932 1.00 40.97 ? 714 HOH B O 1 HETATM 13563 O O . HOH VA 7 . ? 6.733 3.562 18.346 1.00 51.86 ? 715 HOH B O 1 HETATM 13564 O O . HOH VA 7 . ? 3.750 2.565 24.789 1.00 58.63 ? 716 HOH B O 1 HETATM 13565 O O . HOH VA 7 . ? 19.987 4.436 15.829 1.00 39.47 ? 717 HOH B O 1 HETATM 13566 O O . HOH VA 7 . ? 22.034 8.472 25.742 1.00 57.99 ? 718 HOH B O 1 HETATM 13567 O O . HOH VA 7 . ? 8.518 26.414 -1.791 1.00 51.18 ? 719 HOH B O 1 HETATM 13568 O O . HOH VA 7 . ? 9.025 28.915 1.646 1.00 48.70 ? 720 HOH B O 1 HETATM 13569 O O . HOH VA 7 . ? 8.734 32.804 3.206 1.00 51.73 ? 721 HOH B O 1 HETATM 13570 O O . HOH VA 7 . ? 13.368 23.736 -1.735 1.00 51.75 ? 722 HOH B O 1 HETATM 13571 O O . HOH VA 7 . ? 17.682 26.483 3.065 1.00 52.98 ? 723 HOH B O 1 HETATM 13572 O O . HOH VA 7 . ? 10.801 4.601 24.393 1.00 45.69 ? 724 HOH B O 1 HETATM 13573 O O . HOH VA 7 . ? -11.245 44.393 43.542 1.00 56.36 ? 725 HOH B O 1 HETATM 13574 O O . HOH VA 7 . ? 15.043 46.991 15.852 1.00 43.61 ? 726 HOH B O 1 HETATM 13575 O O . HOH VA 7 . ? -19.238 27.702 16.875 1.00 47.95 ? 727 HOH B O 1 HETATM 13576 O O . HOH VA 7 . ? -21.875 26.119 15.711 1.00 59.90 ? 728 HOH B O 1 HETATM 13577 O O . HOH VA 7 . ? -6.582 11.952 7.387 1.00 45.86 ? 729 HOH B O 1 HETATM 13578 O O . HOH VA 7 . ? 0.331 40.103 19.107 1.00 53.84 ? 730 HOH B O 1 HETATM 13579 O O . HOH VA 7 . ? -1.913 39.692 20.149 1.00 55.46 ? 731 HOH B O 1 HETATM 13580 O O . HOH VA 7 . ? 21.760 8.780 29.455 1.00 55.10 ? 732 HOH B O 1 HETATM 13581 O O . HOH VA 7 . ? -3.394 42.655 23.603 1.00 59.17 ? 733 HOH B O 1 HETATM 13582 O O . HOH VA 7 . ? 13.092 37.202 24.641 0.80 31.83 ? 734 HOH B O 1 HETATM 13583 O O . HOH VA 7 . ? 12.502 34.676 24.508 0.80 35.83 ? 735 HOH B O 1 HETATM 13584 O O . HOH WA 7 . ? -1.510 -52.670 -45.588 0.50 23.36 ? 501 HOH C O 1 HETATM 13585 O O . HOH WA 7 . ? 9.499 -30.958 -49.390 1.00 51.36 ? 502 HOH C O 1 HETATM 13586 O O . HOH WA 7 . ? 7.677 -36.313 -45.580 1.00 30.53 ? 503 HOH C O 1 HETATM 13587 O O . HOH WA 7 . ? -8.236 -60.229 -34.221 1.00 46.25 ? 504 HOH C O 1 HETATM 13588 O O . HOH WA 7 . ? -37.335 -24.305 -28.781 1.00 35.74 ? 505 HOH C O 1 HETATM 13589 O O . HOH WA 7 . ? 2.134 -36.904 -49.832 1.00 15.52 ? 506 HOH C O 1 HETATM 13590 O O . HOH WA 7 . ? -3.836 -55.631 -49.054 1.00 36.83 ? 507 HOH C O 1 HETATM 13591 O O . HOH WA 7 . ? -6.117 -37.636 -51.632 1.00 23.13 ? 508 HOH C O 1 HETATM 13592 O O . HOH WA 7 . ? -5.475 -52.988 -50.977 1.00 36.71 ? 509 HOH C O 1 HETATM 13593 O O . HOH WA 7 . ? 6.198 -47.502 -45.364 1.00 38.95 ? 510 HOH C O 1 HETATM 13594 O O . HOH WA 7 . ? -12.258 -42.726 -49.095 1.00 43.49 ? 511 HOH C O 1 HETATM 13595 O O . HOH WA 7 . ? -8.652 -57.497 -28.760 1.00 34.36 ? 512 HOH C O 1 HETATM 13596 O O . HOH WA 7 . ? -35.621 -34.397 -27.388 1.00 38.07 ? 513 HOH C O 1 HETATM 13597 O O . HOH WA 7 . ? 23.122 -24.932 -26.140 1.00 27.48 ? 514 HOH C O 1 HETATM 13598 O O . HOH WA 7 . ? 27.035 -24.842 -32.410 1.00 39.29 ? 515 HOH C O 1 HETATM 13599 O O . HOH WA 7 . ? -0.153 -45.693 -48.495 1.00 26.35 ? 516 HOH C O 1 HETATM 13600 O O . HOH WA 7 . ? -32.276 -19.399 -27.918 1.00 42.23 ? 517 HOH C O 1 HETATM 13601 O O . HOH WA 7 . ? -4.887 -58.982 -40.291 1.00 31.47 ? 518 HOH C O 1 HETATM 13602 O O . HOH WA 7 . ? -7.435 -53.494 -28.964 1.00 44.29 ? 519 HOH C O 1 HETATM 13603 O O . HOH WA 7 . ? -12.013 -35.281 -51.107 1.00 50.19 ? 520 HOH C O 1 HETATM 13604 O O . HOH WA 7 . ? -0.316 -29.365 -48.467 1.00 39.50 ? 521 HOH C O 1 HETATM 13605 O O . HOH WA 7 . ? 5.639 -42.966 -47.212 1.00 26.36 ? 522 HOH C O 1 HETATM 13606 O O . HOH WA 7 . ? -34.528 -27.005 -31.484 1.00 35.18 ? 523 HOH C O 1 HETATM 13607 O O . HOH WA 7 . ? -9.512 -60.217 -38.209 1.00 51.27 ? 524 HOH C O 1 HETATM 13608 O O . HOH WA 7 . ? 25.876 -23.573 -25.892 1.00 55.49 ? 525 HOH C O 1 HETATM 13609 O O . HOH WA 7 . ? 24.446 -31.581 -29.296 1.00 35.27 ? 526 HOH C O 1 HETATM 13610 O O . HOH WA 7 . ? -2.106 -38.483 -49.027 1.00 17.95 ? 527 HOH C O 1 HETATM 13611 O O . HOH WA 7 . ? 3.756 -47.813 -46.470 1.00 25.45 ? 528 HOH C O 1 HETATM 13612 O O . HOH WA 7 . ? -7.350 -49.357 -50.426 1.00 41.77 ? 529 HOH C O 1 HETATM 13613 O O . HOH WA 7 . ? -34.954 -29.308 -32.916 1.00 48.79 ? 530 HOH C O 1 HETATM 13614 O O . HOH WA 7 . ? 27.974 -19.330 -27.378 1.00 40.02 ? 531 HOH C O 1 HETATM 13615 O O . HOH WA 7 . ? -6.657 -37.395 -54.731 1.00 33.26 ? 532 HOH C O 1 HETATM 13616 O O . HOH WA 7 . ? 26.665 -27.599 -29.430 1.00 40.48 ? 533 HOH C O 1 HETATM 13617 O O . HOH WA 7 . ? 4.146 -33.928 -45.849 1.00 43.57 ? 534 HOH C O 1 HETATM 13618 O O . HOH WA 7 . ? -4.580 -35.112 -54.825 1.00 38.11 ? 535 HOH C O 1 HETATM 13619 O O . HOH WA 7 . ? -35.878 -25.296 -23.450 1.00 42.83 ? 536 HOH C O 1 HETATM 13620 O O . HOH WA 7 . ? -36.315 -29.649 -29.126 1.00 37.17 ? 537 HOH C O 1 HETATM 13621 O O . HOH WA 7 . ? -37.031 -33.663 -22.744 1.00 54.75 ? 538 HOH C O 1 HETATM 13622 O O . HOH WA 7 . ? -9.435 -51.452 -21.395 1.00 59.24 ? 539 HOH C O 1 HETATM 13623 O O . HOH WA 7 . ? 27.297 -26.078 -27.293 1.00 42.01 ? 540 HOH C O 1 HETATM 13624 O O . HOH WA 7 . ? -2.480 -31.243 -51.575 1.00 59.86 ? 541 HOH C O 1 HETATM 13625 O O . HOH WA 7 . ? 0.329 -34.837 -49.410 1.00 25.64 ? 542 HOH C O 1 HETATM 13626 O O . HOH WA 7 . ? -7.619 -58.813 -39.695 1.00 54.99 ? 543 HOH C O 1 HETATM 13627 O O . HOH WA 7 . ? 9.843 -48.515 -30.522 1.00 55.55 ? 544 HOH C O 1 HETATM 13628 O O . HOH WA 7 . ? -1.567 -31.777 -24.556 1.00 12.69 ? 545 HOH C O 1 HETATM 13629 O O . HOH WA 7 . ? 9.834 -43.314 -29.856 1.00 18.61 ? 546 HOH C O 1 HETATM 13630 O O . HOH WA 7 . ? -0.955 -36.421 -47.670 1.00 14.91 ? 547 HOH C O 1 HETATM 13631 O O . HOH WA 7 . ? -8.614 -32.121 -35.644 1.00 17.32 ? 548 HOH C O 1 HETATM 13632 O O . HOH WA 7 . ? 0.412 -30.287 -10.327 1.00 17.47 ? 549 HOH C O 1 HETATM 13633 O O . HOH WA 7 . ? -7.293 -31.224 -29.318 1.00 16.63 ? 550 HOH C O 1 HETATM 13634 O O . HOH WA 7 . ? -13.808 -28.799 -29.782 1.00 20.43 ? 551 HOH C O 1 HETATM 13635 O O . HOH WA 7 . ? -7.464 -18.243 -25.883 1.00 18.91 ? 552 HOH C O 1 HETATM 13636 O O . HOH WA 7 . ? 5.756 0.403 -16.167 1.00 19.35 ? 553 HOH C O 1 HETATM 13637 O O . HOH WA 7 . ? 0.805 -36.117 -45.463 1.00 16.95 ? 554 HOH C O 1 HETATM 13638 O O . HOH WA 7 . ? 5.035 -14.070 -3.072 1.00 17.76 ? 555 HOH C O 1 HETATM 13639 O O . HOH WA 7 . ? 10.690 -43.126 -37.173 0.50 10.53 ? 556 HOH C O 1 HETATM 13640 O O . HOH WA 7 . ? 1.354 -41.777 -28.698 1.00 18.64 ? 557 HOH C O 1 HETATM 13641 O O . HOH WA 7 . ? 3.367 -26.407 -36.397 1.00 19.16 ? 558 HOH C O 1 HETATM 13642 O O . HOH WA 7 . ? 9.605 -3.678 -19.717 1.00 20.92 ? 559 HOH C O 1 HETATM 13643 O O . HOH WA 7 . ? -1.000 -16.310 -33.658 1.00 25.49 ? 560 HOH C O 1 HETATM 13644 O O . HOH WA 7 . ? -9.378 -30.659 -27.492 1.00 20.81 ? 561 HOH C O 1 HETATM 13645 O O . HOH WA 7 . ? -2.872 -10.244 -4.037 1.00 20.89 ? 562 HOH C O 1 HETATM 13646 O O . HOH WA 7 . ? -6.643 -15.824 -28.343 1.00 18.90 ? 563 HOH C O 1 HETATM 13647 O O . HOH WA 7 . ? -6.645 -23.041 -34.874 1.00 21.18 ? 564 HOH C O 1 HETATM 13648 O O . HOH WA 7 . ? 7.661 -36.960 -21.768 1.00 20.67 ? 565 HOH C O 1 HETATM 13649 O O . HOH WA 7 . ? 16.940 -15.576 -22.026 1.00 25.67 ? 566 HOH C O 1 HETATM 13650 O O . HOH WA 7 . ? -9.463 -14.781 -18.414 1.00 22.33 ? 567 HOH C O 1 HETATM 13651 O O . HOH WA 7 . ? -11.487 -15.901 -23.755 1.00 25.11 ? 568 HOH C O 1 HETATM 13652 O O . HOH WA 7 . ? 17.261 -17.883 -20.824 1.00 22.77 ? 569 HOH C O 1 HETATM 13653 O O . HOH WA 7 . ? -17.789 -23.877 -29.496 1.00 20.67 ? 570 HOH C O 1 HETATM 13654 O O . HOH WA 7 . ? 8.773 -37.139 -12.606 1.00 25.55 ? 571 HOH C O 1 HETATM 13655 O O . HOH WA 7 . ? 5.609 -41.792 -41.346 1.00 20.99 ? 572 HOH C O 1 HETATM 13656 O O . HOH WA 7 . ? -23.978 -23.617 -36.185 1.00 36.65 ? 573 HOH C O 1 HETATM 13657 O O . HOH WA 7 . ? -15.378 -22.176 -15.345 1.00 26.62 ? 574 HOH C O 1 HETATM 13658 O O . HOH WA 7 . ? 16.972 -9.166 -31.375 1.00 24.98 ? 575 HOH C O 1 HETATM 13659 O O . HOH WA 7 . ? 17.019 -9.325 -17.960 1.00 26.20 ? 576 HOH C O 1 HETATM 13660 O O . HOH WA 7 . ? -6.105 -19.711 -14.100 1.00 24.21 ? 577 HOH C O 1 HETATM 13661 O O . HOH WA 7 . ? 13.035 -5.699 -13.782 1.00 21.52 ? 578 HOH C O 1 HETATM 13662 O O . HOH WA 7 . ? -17.382 -30.943 -19.167 1.00 23.58 ? 579 HOH C O 1 HETATM 13663 O O . HOH WA 7 . ? -5.471 -15.153 -34.196 1.00 30.01 ? 580 HOH C O 1 HETATM 13664 O O . HOH WA 7 . ? -27.115 -26.712 -24.662 1.00 25.22 ? 581 HOH C O 1 HETATM 13665 O O . HOH WA 7 . ? -3.362 -11.818 -6.429 1.00 22.39 ? 582 HOH C O 1 HETATM 13666 O O . HOH WA 7 . ? -2.562 -31.738 -8.954 1.00 20.15 ? 583 HOH C O 1 HETATM 13667 O O . HOH WA 7 . ? 6.697 -48.876 -40.035 1.00 29.50 ? 584 HOH C O 1 HETATM 13668 O O . HOH WA 7 . ? 13.009 -45.712 -18.387 1.00 28.32 ? 585 HOH C O 1 HETATM 13669 O O . HOH WA 7 . ? -14.929 -32.859 -42.798 1.00 29.96 ? 586 HOH C O 1 HETATM 13670 O O . HOH WA 7 . ? 15.291 -29.466 -5.027 1.00 27.29 ? 587 HOH C O 1 HETATM 13671 O O . HOH WA 7 . ? -4.861 -9.569 -26.286 1.00 28.30 ? 588 HOH C O 1 HETATM 13672 O O . HOH WA 7 . ? -24.237 -33.428 -30.826 1.00 27.83 ? 589 HOH C O 1 HETATM 13673 O O . HOH WA 7 . ? -12.078 -15.005 -15.165 1.00 40.23 ? 590 HOH C O 1 HETATM 13674 O O . HOH WA 7 . ? 4.592 1.365 -18.480 1.00 26.17 ? 591 HOH C O 1 HETATM 13675 O O . HOH WA 7 . ? 14.383 -13.330 -12.425 1.00 23.90 ? 592 HOH C O 1 HETATM 13676 O O . HOH WA 7 . ? 4.251 -41.941 -12.973 1.00 27.64 ? 593 HOH C O 1 HETATM 13677 O O . HOH WA 7 . ? -3.011 -11.430 -11.699 1.00 28.85 ? 594 HOH C O 1 HETATM 13678 O O . HOH WA 7 . ? -26.401 -28.237 -26.943 1.00 26.09 ? 595 HOH C O 1 HETATM 13679 O O . HOH WA 7 . ? 17.900 -7.492 -24.506 1.00 29.95 ? 596 HOH C O 1 HETATM 13680 O O . HOH WA 7 . ? 10.552 -46.488 -28.650 1.00 35.94 ? 597 HOH C O 1 HETATM 13681 O O . HOH WA 7 . ? -13.824 -27.925 -36.614 1.00 27.49 ? 598 HOH C O 1 HETATM 13682 O O . HOH WA 7 . ? -11.260 -30.404 -10.357 1.00 27.72 ? 599 HOH C O 1 HETATM 13683 O O . HOH WA 7 . ? 7.328 -44.544 -28.772 1.00 25.76 ? 600 HOH C O 1 HETATM 13684 O O . HOH WA 7 . ? -2.762 -22.018 -0.749 1.00 29.18 ? 601 HOH C O 1 HETATM 13685 O O . HOH WA 7 . ? -10.067 -17.071 -26.064 1.00 32.12 ? 602 HOH C O 1 HETATM 13686 O O . HOH WA 7 . ? 18.738 -37.297 -18.089 1.00 32.41 ? 603 HOH C O 1 HETATM 13687 O O . HOH WA 7 . ? 1.750 -32.566 -42.416 1.00 30.30 ? 604 HOH C O 1 HETATM 13688 O O . HOH WA 7 . ? -9.471 -18.357 -29.830 1.00 31.11 ? 605 HOH C O 1 HETATM 13689 O O . HOH WA 7 . ? 9.823 -32.594 -3.972 1.00 31.22 ? 606 HOH C O 1 HETATM 13690 O O . HOH WA 7 . ? -23.280 -28.099 -22.748 1.00 29.95 ? 607 HOH C O 1 HETATM 13691 O O . HOH WA 7 . ? 15.793 -11.840 -33.412 1.00 33.33 ? 608 HOH C O 1 HETATM 13692 O O . HOH WA 7 . ? -27.880 -28.843 -29.085 1.00 27.28 ? 609 HOH C O 1 HETATM 13693 O O . HOH WA 7 . ? 2.562 -4.930 -19.909 0.50 18.26 ? 610 HOH C O 1 HETATM 13694 O O . HOH WA 7 . ? -17.201 -28.047 -39.259 1.00 35.33 ? 611 HOH C O 1 HETATM 13695 O O . HOH WA 7 . ? 5.416 -48.665 -37.599 1.00 29.90 ? 612 HOH C O 1 HETATM 13696 O O . HOH WA 7 . ? -17.475 -24.477 -44.903 1.00 34.46 ? 613 HOH C O 1 HETATM 13697 O O . HOH WA 7 . ? 17.301 -13.542 -19.389 1.00 36.87 ? 614 HOH C O 1 HETATM 13698 O O . HOH WA 7 . ? -20.997 -20.867 -36.917 1.00 37.08 ? 615 HOH C O 1 HETATM 13699 O O . HOH WA 7 . ? -1.976 -10.730 -15.563 1.00 33.98 ? 616 HOH C O 1 HETATM 13700 O O . HOH WA 7 . ? -25.845 -23.780 -31.887 1.00 27.68 ? 617 HOH C O 1 HETATM 13701 O O . HOH WA 7 . ? 0.054 -41.360 -20.653 1.00 32.68 ? 618 HOH C O 1 HETATM 13702 O O . HOH WA 7 . ? -18.502 -28.879 -35.851 1.00 31.02 ? 619 HOH C O 1 HETATM 13703 O O . HOH WA 7 . ? -14.751 -17.873 -40.311 1.00 34.38 ? 620 HOH C O 1 HETATM 13704 O O . HOH WA 7 . ? -15.182 -35.768 -45.071 1.00 34.78 ? 621 HOH C O 1 HETATM 13705 O O . HOH WA 7 . ? -34.490 -27.058 -24.970 1.00 32.86 ? 622 HOH C O 1 HETATM 13706 O O . HOH WA 7 . ? -33.506 -23.179 -22.869 1.00 40.71 ? 623 HOH C O 1 HETATM 13707 O O . HOH WA 7 . ? -8.506 -13.067 -15.008 1.00 34.95 ? 624 HOH C O 1 HETATM 13708 O O . HOH WA 7 . ? -9.280 -21.027 -18.052 1.00 27.71 ? 625 HOH C O 1 HETATM 13709 O O . HOH WA 7 . ? -5.572 -12.675 -7.602 1.00 36.41 ? 626 HOH C O 1 HETATM 13710 O O . HOH WA 7 . ? -21.192 -23.560 -14.092 1.00 36.87 ? 627 HOH C O 1 HETATM 13711 O O . HOH WA 7 . ? 22.539 -30.437 -31.134 1.00 36.60 ? 628 HOH C O 1 HETATM 13712 O O . HOH WA 7 . ? 12.946 -47.083 -20.930 1.00 37.36 ? 629 HOH C O 1 HETATM 13713 O O . HOH WA 7 . ? 0.887 -24.593 -0.067 1.00 32.62 ? 630 HOH C O 1 HETATM 13714 O O . HOH WA 7 . ? -21.242 -18.105 -32.344 1.00 42.99 ? 631 HOH C O 1 HETATM 13715 O O . HOH WA 7 . ? -15.088 -49.854 -39.240 1.00 40.03 ? 632 HOH C O 1 HETATM 13716 O O . HOH WA 7 . ? 16.970 -7.071 -16.564 1.00 40.28 ? 633 HOH C O 1 HETATM 13717 O O . HOH WA 7 . ? 6.382 -20.122 2.140 1.00 30.14 ? 634 HOH C O 1 HETATM 13718 O O . HOH WA 7 . ? -2.157 -20.875 -41.338 1.00 40.08 ? 635 HOH C O 1 HETATM 13719 O O . HOH WA 7 . ? -17.401 -17.707 -33.741 1.00 37.45 ? 636 HOH C O 1 HETATM 13720 O O . HOH WA 7 . ? 8.452 -12.237 -5.878 1.00 38.51 ? 637 HOH C O 1 HETATM 13721 O O . HOH WA 7 . ? -5.246 -32.464 -5.537 1.00 40.63 ? 638 HOH C O 1 HETATM 13722 O O . HOH WA 7 . ? 13.563 -11.938 -9.931 1.00 39.19 ? 639 HOH C O 1 HETATM 13723 O O . HOH WA 7 . ? -14.253 -21.418 -11.964 1.00 36.19 ? 640 HOH C O 1 HETATM 13724 O O . HOH WA 7 . ? 13.548 -30.428 -2.932 1.00 36.01 ? 641 HOH C O 1 HETATM 13725 O O . HOH WA 7 . ? -12.014 -46.200 -45.016 1.00 39.93 ? 642 HOH C O 1 HETATM 13726 O O . HOH WA 7 . ? 18.787 -17.282 -17.341 1.00 33.64 ? 643 HOH C O 1 HETATM 13727 O O . HOH WA 7 . ? 1.022 -23.787 -41.467 1.00 35.45 ? 644 HOH C O 1 HETATM 13728 O O . HOH WA 7 . ? -10.161 -52.349 -36.011 1.00 40.00 ? 645 HOH C O 1 HETATM 13729 O O . HOH WA 7 . ? -21.748 -40.532 -22.387 1.00 39.20 ? 646 HOH C O 1 HETATM 13730 O O . HOH WA 7 . ? 18.918 -5.225 -16.621 1.00 34.38 ? 647 HOH C O 1 HETATM 13731 O O . HOH WA 7 . ? -23.394 -35.959 -30.878 1.00 35.73 ? 648 HOH C O 1 HETATM 13732 O O . HOH WA 7 . ? -23.540 -31.520 -32.590 1.00 38.02 ? 649 HOH C O 1 HETATM 13733 O O . HOH WA 7 . ? -14.289 -38.511 -46.880 1.00 38.23 ? 650 HOH C O 1 HETATM 13734 O O . HOH WA 7 . ? -2.476 -38.231 -21.665 1.00 41.71 ? 651 HOH C O 1 HETATM 13735 O O . HOH WA 7 . ? -16.306 -33.638 -35.839 1.00 35.71 ? 652 HOH C O 1 HETATM 13736 O O . HOH WA 7 . ? -16.748 -36.202 -37.595 1.00 27.89 ? 653 HOH C O 1 HETATM 13737 O O . HOH WA 7 . ? 10.839 -30.176 -3.527 1.00 38.67 ? 654 HOH C O 1 HETATM 13738 O O . HOH WA 7 . ? 9.867 -28.855 -1.212 1.00 38.93 ? 655 HOH C O 1 HETATM 13739 O O . HOH WA 7 . ? -1.683 -3.287 -26.428 1.00 49.91 ? 656 HOH C O 1 HETATM 13740 O O . HOH WA 7 . ? 5.854 -26.305 -0.755 1.00 37.25 ? 657 HOH C O 1 HETATM 13741 O O . HOH WA 7 . ? -17.116 -12.519 -21.224 1.00 48.88 ? 658 HOH C O 1 HETATM 13742 O O . HOH WA 7 . ? -7.334 -49.665 -29.146 1.00 39.85 ? 659 HOH C O 1 HETATM 13743 O O . HOH WA 7 . ? -16.196 -48.016 -31.932 1.00 45.79 ? 660 HOH C O 1 HETATM 13744 O O . HOH WA 7 . ? 13.988 -46.887 -25.424 1.00 46.02 ? 661 HOH C O 1 HETATM 13745 O O . HOH WA 7 . ? -17.379 -43.423 -38.862 1.00 45.06 ? 662 HOH C O 1 HETATM 13746 O O . HOH WA 7 . ? -9.879 -23.910 -9.094 1.00 40.62 ? 663 HOH C O 1 HETATM 13747 O O . HOH WA 7 . ? -5.413 -25.202 -1.454 1.00 48.82 ? 664 HOH C O 1 HETATM 13748 O O . HOH WA 7 . ? -13.882 -14.235 -18.146 1.00 52.32 ? 665 HOH C O 1 HETATM 13749 O O . HOH WA 7 . ? 0.694 -26.224 -45.390 1.00 43.30 ? 666 HOH C O 1 HETATM 13750 O O . HOH WA 7 . ? -19.233 -24.285 -12.244 1.00 43.27 ? 667 HOH C O 1 HETATM 13751 O O . HOH WA 7 . ? -3.892 -45.246 -27.770 1.00 25.76 ? 668 HOH C O 1 HETATM 13752 O O . HOH WA 7 . ? -4.190 -21.750 -44.368 1.00 53.42 ? 669 HOH C O 1 HETATM 13753 O O . HOH WA 7 . ? 7.967 -30.454 -41.224 1.00 51.00 ? 670 HOH C O 1 HETATM 13754 O O . HOH WA 7 . ? 18.890 -37.200 -20.764 1.00 45.79 ? 671 HOH C O 1 HETATM 13755 O O . HOH WA 7 . ? 11.904 -42.061 -7.730 1.00 53.90 ? 672 HOH C O 1 HETATM 13756 O O . HOH WA 7 . ? 9.216 -4.736 -24.797 1.00 43.06 ? 673 HOH C O 1 HETATM 13757 O O . HOH WA 7 . ? -26.972 -40.059 -27.852 1.00 48.18 ? 674 HOH C O 1 HETATM 13758 O O . HOH WA 7 . ? 14.388 -28.625 -0.739 1.00 49.55 ? 675 HOH C O 1 HETATM 13759 O O . HOH WA 7 . ? 5.720 -1.971 -12.496 1.00 47.07 ? 676 HOH C O 1 HETATM 13760 O O . HOH WA 7 . ? -11.086 -45.434 -26.832 1.00 47.14 ? 677 HOH C O 1 HETATM 13761 O O . HOH WA 7 . ? 4.647 -2.962 -16.514 1.00 38.11 ? 678 HOH C O 1 HETATM 13762 O O . HOH WA 7 . ? -14.381 -51.380 -31.343 1.00 53.82 ? 679 HOH C O 1 HETATM 13763 O O . HOH WA 7 . ? 9.615 -39.394 -6.471 1.00 44.82 ? 680 HOH C O 1 HETATM 13764 O O . HOH WA 7 . ? -24.193 -30.870 -21.924 1.00 33.97 ? 681 HOH C O 1 HETATM 13765 O O . HOH WA 7 . ? 17.008 -15.390 -24.401 1.00 35.73 ? 682 HOH C O 1 HETATM 13766 O O . HOH WA 7 . ? -12.338 -21.068 -4.007 1.00 55.85 ? 683 HOH C O 1 HETATM 13767 O O . HOH WA 7 . ? 12.377 -35.298 -32.666 1.00 43.54 ? 684 HOH C O 1 HETATM 13768 O O . HOH WA 7 . ? -8.236 -54.196 -35.024 1.00 43.75 ? 685 HOH C O 1 HETATM 13769 O O . HOH WA 7 . ? 12.881 -15.431 -32.604 1.00 41.11 ? 686 HOH C O 1 HETATM 13770 O O . HOH WA 7 . ? -34.814 -34.429 -24.639 1.00 40.29 ? 687 HOH C O 1 HETATM 13771 O O . HOH WA 7 . ? -12.510 -35.550 -5.004 1.00 55.66 ? 688 HOH C O 1 HETATM 13772 O O . HOH WA 7 . ? -8.986 -47.376 -45.374 1.00 37.76 ? 689 HOH C O 1 HETATM 13773 O O . HOH WA 7 . ? -2.745 -31.485 -20.964 1.00 35.50 ? 690 HOH C O 1 HETATM 13774 O O . HOH WA 7 . ? 18.914 -31.309 -15.945 1.00 42.82 ? 691 HOH C O 1 HETATM 13775 O O . HOH WA 7 . ? 4.341 -3.973 -14.232 1.00 36.39 ? 692 HOH C O 1 HETATM 13776 O O . HOH WA 7 . ? -0.777 -35.485 -11.821 1.00 36.82 ? 693 HOH C O 1 HETATM 13777 O O . HOH WA 7 . ? -3.990 -7.652 -24.411 1.00 47.24 ? 694 HOH C O 1 HETATM 13778 O O . HOH WA 7 . ? -13.592 -17.452 -37.816 1.00 39.15 ? 695 HOH C O 1 HETATM 13779 O O . HOH WA 7 . ? -34.125 -31.273 -30.072 1.00 40.55 ? 696 HOH C O 1 HETATM 13780 O O . HOH WA 7 . ? -34.022 -35.924 -29.286 1.00 42.95 ? 697 HOH C O 1 HETATM 13781 O O . HOH WA 7 . ? -27.979 -15.646 -23.911 1.00 43.59 ? 698 HOH C O 1 HETATM 13782 O O . HOH WA 7 . ? -1.565 -33.591 -22.130 1.00 49.28 ? 699 HOH C O 1 HETATM 13783 O O . HOH WA 7 . ? -1.688 -33.252 -10.981 1.00 39.42 ? 700 HOH C O 1 HETATM 13784 O O . HOH WA 7 . ? -24.426 -26.891 -16.389 1.00 43.82 ? 701 HOH C O 1 HETATM 13785 O O . HOH WA 7 . ? 0.245 -7.758 -2.443 1.00 51.13 ? 702 HOH C O 1 HETATM 13786 O O . HOH WA 7 . ? 19.369 -37.908 -13.997 1.00 45.98 ? 703 HOH C O 1 HETATM 13787 O O . HOH WA 7 . ? -23.755 -16.886 -33.569 1.00 49.60 ? 704 HOH C O 1 HETATM 13788 O O . HOH WA 7 . ? -3.553 -35.637 -21.535 1.00 50.35 ? 705 HOH C O 1 HETATM 13789 O O . HOH WA 7 . ? -34.754 -33.739 -31.389 1.00 47.35 ? 706 HOH C O 1 HETATM 13790 O O . HOH WA 7 . ? -4.577 -28.718 -1.274 1.00 52.58 ? 707 HOH C O 1 HETATM 13791 O O . HOH WA 7 . ? -12.435 -19.107 -26.614 1.00 40.51 ? 708 HOH C O 1 HETATM 13792 O O . HOH WA 7 . ? 3.515 -34.858 -43.300 1.00 20.94 ? 709 HOH C O 1 HETATM 13793 O O . HOH WA 7 . ? -25.465 -40.895 -25.544 1.00 43.44 ? 710 HOH C O 1 HETATM 13794 O O . HOH WA 7 . ? 8.758 -44.818 -32.695 1.00 41.92 ? 711 HOH C O 1 HETATM 13795 O O . HOH WA 7 . ? -4.974 -30.550 -50.907 1.00 33.32 ? 712 HOH C O 1 HETATM 13796 O O . HOH WA 7 . ? 17.724 -20.379 -14.673 1.00 43.08 ? 713 HOH C O 1 HETATM 13797 O O . HOH WA 7 . ? 15.355 -14.656 -33.618 1.00 49.28 ? 714 HOH C O 1 HETATM 13798 O O . HOH WA 7 . ? 4.097 -34.596 -4.712 1.00 46.34 ? 715 HOH C O 1 HETATM 13799 O O . HOH WA 7 . ? -6.061 -18.024 -8.578 1.00 13.14 ? 716 HOH C O 1 HETATM 13800 O O . HOH WA 7 . ? -16.891 -38.567 -35.145 1.00 28.54 ? 717 HOH C O 1 HETATM 13801 O O . HOH WA 7 . ? 5.457 -33.522 -41.332 1.00 32.18 ? 718 HOH C O 1 HETATM 13802 O O . HOH WA 7 . ? 6.171 -38.439 -6.057 1.00 38.92 ? 719 HOH C O 1 HETATM 13803 O O . HOH WA 7 . ? -9.099 -50.106 -44.462 1.00 33.57 ? 720 HOH C O 1 HETATM 13804 O O . HOH WA 7 . ? 5.059 -39.383 -12.069 1.00 33.11 ? 721 HOH C O 1 HETATM 13805 O O . HOH WA 7 . ? -20.866 -41.230 -24.907 1.00 44.57 ? 722 HOH C O 1 HETATM 13806 O O . HOH WA 7 . ? -13.928 -46.714 -31.793 1.00 35.16 ? 723 HOH C O 1 HETATM 13807 O O . HOH WA 7 . ? 1.975 -8.195 -7.099 1.00 39.85 ? 724 HOH C O 1 HETATM 13808 O O . HOH WA 7 . ? -14.592 -17.361 -33.302 1.00 45.90 ? 725 HOH C O 1 HETATM 13809 O O . HOH WA 7 . ? -10.325 -33.274 -27.315 1.00 33.16 ? 726 HOH C O 1 HETATM 13810 O O . HOH WA 7 . ? -10.204 -45.925 -30.780 1.00 36.39 ? 727 HOH C O 1 HETATM 13811 O O . HOH WA 7 . ? 2.254 -20.260 -24.697 1.00 34.95 ? 728 HOH C O 1 HETATM 13812 O O . HOH WA 7 . ? -16.408 -40.663 -39.812 1.00 36.11 ? 729 HOH C O 1 HETATM 13813 O O . HOH WA 7 . ? -7.147 -23.090 -38.716 1.00 37.19 ? 730 HOH C O 1 HETATM 13814 O O . HOH WA 7 . ? -21.404 -26.977 -15.847 1.00 36.55 ? 731 HOH C O 1 HETATM 13815 O O . HOH WA 7 . ? 6.710 -20.044 -34.931 1.00 38.05 ? 732 HOH C O 1 HETATM 13816 O O . HOH WA 7 . ? 6.951 -44.692 -11.681 1.00 48.75 ? 733 HOH C O 1 HETATM 13817 O O . HOH WA 7 . ? 19.663 -14.400 -21.239 0.70 32.80 ? 734 HOH C O 1 HETATM 13818 O O . HOH WA 7 . ? -6.653 -16.893 -23.112 1.00 28.36 ? 735 HOH C O 1 HETATM 13819 O O . HOH WA 7 . ? 18.301 -14.523 -17.038 1.00 41.15 ? 736 HOH C O 1 HETATM 13820 O O . HOH WA 7 . ? 11.341 -30.719 -23.751 1.00 38.81 ? 737 HOH C O 1 HETATM 13821 O O . HOH WA 7 . ? 11.194 -20.832 -0.235 1.00 42.15 ? 738 HOH C O 1 HETATM 13822 O O . HOH WA 7 . ? 5.647 -28.598 -35.696 1.00 40.56 ? 739 HOH C O 1 HETATM 13823 O O . HOH WA 7 . ? -13.313 -16.306 -31.552 1.00 42.43 ? 740 HOH C O 1 HETATM 13824 O O . HOH WA 7 . ? 17.207 -8.975 -12.757 1.00 50.09 ? 741 HOH C O 1 HETATM 13825 O O . HOH WA 7 . ? 7.471 -44.837 -7.391 1.00 49.42 ? 742 HOH C O 1 HETATM 13826 O O . HOH WA 7 . ? 9.675 -32.090 -22.450 1.00 23.07 ? 743 HOH C O 1 HETATM 13827 O O . HOH WA 7 . ? 8.526 -38.942 -23.444 1.00 22.55 ? 744 HOH C O 1 HETATM 13828 O O . HOH WA 7 . ? -12.439 -22.974 -9.652 1.00 41.19 ? 745 HOH C O 1 HETATM 13829 O O . HOH WA 7 . ? -18.404 -40.161 -34.880 1.00 45.66 ? 746 HOH C O 1 HETATM 13830 O O . HOH WA 7 . ? -16.713 -31.353 -36.882 1.00 42.84 ? 747 HOH C O 1 HETATM 13831 O O . HOH WA 7 . ? -7.626 -11.047 -6.943 1.00 38.52 ? 748 HOH C O 1 HETATM 13832 O O . HOH WA 7 . ? -10.253 -14.261 -13.180 1.00 50.15 ? 749 HOH C O 1 HETATM 13833 O O . HOH WA 7 . ? -9.214 -14.961 -28.298 1.00 44.77 ? 750 HOH C O 1 HETATM 13834 O O . HOH WA 7 . ? -19.165 -45.331 -29.457 1.00 40.41 ? 751 HOH C O 1 HETATM 13835 O O . HOH WA 7 . ? 0.770 -33.526 -44.816 1.00 38.37 ? 752 HOH C O 1 HETATM 13836 O O . HOH WA 7 . ? -29.121 -19.885 -17.051 1.00 56.83 ? 753 HOH C O 1 HETATM 13837 O O . HOH WA 7 . ? -3.194 -3.974 -24.505 1.00 55.28 ? 754 HOH C O 1 HETATM 13838 O O . HOH WA 7 . ? 7.206 -2.410 -20.409 1.00 37.89 ? 755 HOH C O 1 HETATM 13839 O O . HOH WA 7 . ? 2.554 -21.200 -41.300 1.00 55.01 ? 756 HOH C O 1 HETATM 13840 O O . HOH WA 7 . ? -1.470 -21.261 -44.330 1.00 58.23 ? 757 HOH C O 1 HETATM 13841 O O . HOH WA 7 . ? -22.418 -26.339 -38.096 1.00 52.38 ? 758 HOH C O 1 HETATM 13842 O O . HOH WA 7 . ? -18.878 -23.359 -42.141 1.00 52.45 ? 759 HOH C O 1 HETATM 13843 O O . HOH WA 7 . ? 11.981 -47.222 -16.221 1.00 44.74 ? 760 HOH C O 1 HETATM 13844 O O . HOH WA 7 . ? -17.670 -38.886 -41.100 1.00 57.08 ? 761 HOH C O 1 HETATM 13845 O O . HOH WA 7 . ? -5.860 -8.391 -28.694 1.00 50.07 ? 762 HOH C O 1 HETATM 13846 O O . HOH WA 7 . ? 16.744 -4.017 -20.098 1.00 49.40 ? 763 HOH C O 1 HETATM 13847 O O . HOH WA 7 . ? -14.945 -29.759 -38.192 1.00 45.55 ? 764 HOH C O 1 HETATM 13848 O O . HOH WA 7 . ? -28.484 -23.958 -33.060 1.00 42.88 ? 765 HOH C O 1 HETATM 13849 O O . HOH WA 7 . ? -2.422 -39.696 -19.121 1.00 52.21 ? 766 HOH C O 1 HETATM 13850 O O . HOH WA 7 . ? -4.158 -38.463 -25.284 1.00 50.70 ? 767 HOH C O 1 HETATM 13851 O O . HOH WA 7 . ? 3.956 -10.489 -3.378 1.00 58.42 ? 768 HOH C O 1 HETATM 13852 O O . HOH WA 7 . ? 2.296 -9.815 -1.202 1.00 64.24 ? 769 HOH C O 1 HETATM 13853 O O . HOH WA 7 . ? -20.973 -33.109 -34.208 1.00 53.38 ? 770 HOH C O 1 HETATM 13854 O O . HOH WA 7 . ? -13.703 -14.338 -24.998 1.00 50.76 ? 771 HOH C O 1 HETATM 13855 O O . HOH WA 7 . ? 9.969 -37.388 -25.097 0.80 30.25 ? 772 HOH C O 1 HETATM 13856 O O . HOH WA 7 . ? 9.724 -34.672 -24.896 0.80 37.99 ? 773 HOH C O 1 HETATM 13857 O O . HOH WA 7 . ? 6.098 -37.931 -29.443 0.80 32.76 ? 774 HOH C O 1 HETATM 13858 O O . HOH XA 7 . ? -1.199 32.435 -44.963 0.50 16.38 ? 501 HOH D O 1 HETATM 13859 O O . HOH XA 7 . ? 1.106 28.490 -49.366 0.50 13.18 ? 502 HOH D O 1 HETATM 13860 O O . HOH XA 7 . ? 4.712 28.239 -48.142 1.00 26.72 ? 503 HOH D O 1 HETATM 13861 O O . HOH XA 7 . ? -27.341 3.353 -18.608 1.00 50.17 ? 504 HOH D O 1 HETATM 13862 O O . HOH XA 7 . ? -26.939 5.812 -21.718 1.00 34.11 ? 505 HOH D O 1 HETATM 13863 O O . HOH XA 7 . ? -1.827 17.602 -46.564 1.00 16.20 ? 506 HOH D O 1 HETATM 13864 O O . HOH XA 7 . ? -7.238 19.579 -42.567 1.00 27.94 ? 507 HOH D O 1 HETATM 13865 O O . HOH XA 7 . ? 3.158 25.349 -47.112 1.00 34.40 ? 508 HOH D O 1 HETATM 13866 O O . HOH XA 7 . ? 6.961 37.799 -28.742 1.00 20.49 ? 509 HOH D O 1 HETATM 13867 O O . HOH XA 7 . ? -24.700 8.499 -15.707 0.70 21.32 ? 510 HOH D O 1 HETATM 13868 O O . HOH XA 7 . ? -3.746 31.142 -28.204 1.00 27.45 ? 511 HOH D O 1 HETATM 13869 O O . HOH XA 7 . ? -9.750 23.469 -45.702 1.00 47.74 ? 512 HOH D O 1 HETATM 13870 O O . HOH XA 7 . ? 1.402 20.082 -47.896 1.00 16.71 ? 513 HOH D O 1 HETATM 13871 O O . HOH XA 7 . ? 11.181 11.946 -47.270 1.00 43.96 ? 514 HOH D O 1 HETATM 13872 O O . HOH XA 7 . ? -0.934 32.477 -37.995 1.00 37.22 ? 515 HOH D O 1 HETATM 13873 O O . HOH XA 7 . ? 31.961 6.297 -23.906 1.00 44.31 ? 516 HOH D O 1 HETATM 13874 O O . HOH XA 7 . ? 9.410 36.379 -29.344 1.00 28.27 ? 517 HOH D O 1 HETATM 13875 O O . HOH XA 7 . ? 6.104 15.619 -48.695 1.00 24.23 ? 518 HOH D O 1 HETATM 13876 O O . HOH XA 7 . ? 1.303 26.422 -46.408 1.00 35.56 ? 519 HOH D O 1 HETATM 13877 O O . HOH XA 7 . ? -1.278 10.025 -43.780 1.00 43.14 ? 520 HOH D O 1 HETATM 13878 O O . HOH XA 7 . ? 34.640 5.197 -16.560 1.00 49.77 ? 521 HOH D O 1 HETATM 13879 O O . HOH XA 7 . ? -3.029 24.915 -45.908 1.00 16.07 ? 522 HOH D O 1 HETATM 13880 O O . HOH XA 7 . ? -0.038 28.119 -46.625 1.00 36.53 ? 523 HOH D O 1 HETATM 13881 O O . HOH XA 7 . ? -7.631 28.768 -36.388 1.00 24.23 ? 524 HOH D O 1 HETATM 13882 O O . HOH XA 7 . ? -3.019 28.167 -45.836 1.00 50.44 ? 525 HOH D O 1 HETATM 13883 O O . HOH XA 7 . ? -6.764 30.552 -29.302 1.00 15.45 ? 526 HOH D O 1 HETATM 13884 O O . HOH XA 7 . ? -26.476 6.391 -14.930 1.00 41.21 ? 527 HOH D O 1 HETATM 13885 O O . HOH XA 7 . ? 2.612 18.065 -46.277 1.00 17.22 ? 528 HOH D O 1 HETATM 13886 O O . HOH XA 7 . ? 6.142 14.763 -51.693 1.00 37.71 ? 529 HOH D O 1 HETATM 13887 O O . HOH XA 7 . ? 8.326 11.441 -45.146 1.00 47.23 ? 530 HOH D O 1 HETATM 13888 O O . HOH XA 7 . ? -0.675 15.250 -45.708 1.00 25.56 ? 531 HOH D O 1 HETATM 13889 O O . HOH XA 7 . ? 3.328 12.938 -51.429 1.00 36.54 ? 532 HOH D O 1 HETATM 13890 O O . HOH XA 7 . ? 32.860 3.891 -20.333 1.00 52.36 ? 533 HOH D O 1 HETATM 13891 O O . HOH XA 7 . ? 0.645 17.707 -20.792 1.00 15.08 ? 534 HOH D O 1 HETATM 13892 O O . HOH XA 7 . ? 2.548 3.203 -18.863 1.00 17.18 ? 535 HOH D O 1 HETATM 13893 O O . HOH XA 7 . ? 1.604 20.792 -5.513 1.00 17.22 ? 536 HOH D O 1 HETATM 13894 O O . HOH XA 7 . ? 1.207 16.724 -44.430 1.00 17.48 ? 537 HOH D O 1 HETATM 13895 O O . HOH XA 7 . ? -6.607 25.710 -19.855 1.00 20.53 ? 538 HOH D O 1 HETATM 13896 O O . HOH XA 7 . ? 0.791 0.584 -20.872 1.00 21.13 ? 539 HOH D O 1 HETATM 13897 O O . HOH XA 7 . ? 7.585 13.534 -31.286 1.00 17.29 ? 540 HOH D O 1 HETATM 13898 O O . HOH XA 7 . ? 13.965 4.979 -22.834 1.00 18.57 ? 541 HOH D O 1 HETATM 13899 O O . HOH XA 7 . ? -4.177 9.086 3.537 1.00 20.22 ? 542 HOH D O 1 HETATM 13900 O O . HOH XA 7 . ? -3.364 25.128 -39.696 1.00 18.36 ? 543 HOH D O 1 HETATM 13901 O O . HOH XA 7 . ? 3.577 8.972 -46.249 1.00 35.12 ? 544 HOH D O 1 HETATM 13902 O O . HOH XA 7 . ? -4.147 16.948 4.506 1.00 19.58 ? 545 HOH D O 1 HETATM 13903 O O . HOH XA 7 . ? 5.905 14.633 -24.983 1.00 18.99 ? 546 HOH D O 1 HETATM 13904 O O . HOH XA 7 . ? 9.122 16.600 -5.860 1.00 21.39 ? 547 HOH D O 1 HETATM 13905 O O . HOH XA 7 . ? -6.694 27.519 -22.077 1.00 19.25 ? 548 HOH D O 1 HETATM 13906 O O . HOH XA 7 . ? -0.456 17.477 -42.207 1.00 17.53 ? 549 HOH D O 1 HETATM 13907 O O . HOH XA 7 . ? -1.722 20.051 -6.703 1.00 19.74 ? 550 HOH D O 1 HETATM 13908 O O . HOH XA 7 . ? 0.861 26.545 -27.315 1.00 18.40 ? 551 HOH D O 1 HETATM 13909 O O . HOH XA 7 . ? -6.983 14.388 -31.293 1.00 36.96 ? 552 HOH D O 1 HETATM 13910 O O . HOH XA 7 . ? -11.418 8.014 3.073 1.00 20.85 ? 553 HOH D O 1 HETATM 13911 O O . HOH XA 7 . ? 3.210 1.099 -10.703 1.00 22.49 ? 554 HOH D O 1 HETATM 13912 O O . HOH XA 7 . ? 11.844 10.520 -24.672 1.00 19.23 ? 555 HOH D O 1 HETATM 13913 O O . HOH XA 7 . ? 13.818 10.333 -38.305 1.00 28.54 ? 556 HOH D O 1 HETATM 13914 O O . HOH XA 7 . ? 3.070 5.964 -28.645 1.00 18.83 ? 557 HOH D O 1 HETATM 13915 O O . HOH XA 7 . ? 16.872 26.467 -30.923 1.00 26.52 ? 558 HOH D O 1 HETATM 13916 O O . HOH XA 7 . ? 13.181 26.941 -29.847 1.00 23.32 ? 559 HOH D O 1 HETATM 13917 O O . HOH XA 7 . ? -21.631 10.954 -15.582 1.00 26.12 ? 560 HOH D O 1 HETATM 13918 O O . HOH XA 7 . ? -9.991 21.818 -19.787 1.00 24.90 ? 561 HOH D O 1 HETATM 13919 O O . HOH XA 7 . ? 7.696 13.765 -23.121 1.00 21.16 ? 562 HOH D O 1 HETATM 13920 O O . HOH XA 7 . ? 1.359 7.699 -7.748 1.00 23.36 ? 563 HOH D O 1 HETATM 13921 O O . HOH XA 7 . ? 15.508 13.817 -14.246 1.00 22.31 ? 564 HOH D O 1 HETATM 13922 O O . HOH XA 7 . ? 23.829 5.730 -17.888 1.00 27.81 ? 565 HOH D O 1 HETATM 13923 O O . HOH XA 7 . ? -3.840 1.320 -4.151 1.00 24.13 ? 566 HOH D O 1 HETATM 13924 O O . HOH XA 7 . ? 15.148 31.816 -36.104 1.00 28.92 ? 567 HOH D O 1 HETATM 13925 O O . HOH XA 7 . ? 5.744 1.209 -7.387 1.00 31.18 ? 568 HOH D O 1 HETATM 13926 O O . HOH XA 7 . ? -21.791 8.377 -16.263 1.00 27.70 ? 569 HOH D O 1 HETATM 13927 O O . HOH XA 7 . ? -4.359 1.559 -26.552 1.00 25.78 ? 570 HOH D O 1 HETATM 13928 O O . HOH XA 7 . ? 11.086 6.862 -8.868 1.00 24.60 ? 571 HOH D O 1 HETATM 13929 O O . HOH XA 7 . ? -4.088 22.121 -0.223 1.00 27.98 ? 572 HOH D O 1 HETATM 13930 O O . HOH XA 7 . ? -23.611 3.541 -10.941 1.00 29.95 ? 573 HOH D O 1 HETATM 13931 O O . HOH XA 7 . ? 20.565 8.638 -16.635 1.00 29.59 ? 574 HOH D O 1 HETATM 13932 O O . HOH XA 7 . ? 23.094 11.372 -25.535 1.00 28.90 ? 575 HOH D O 1 HETATM 13933 O O . HOH XA 7 . ? -0.467 -0.860 -26.527 1.00 25.64 ? 576 HOH D O 1 HETATM 13934 O O . HOH XA 7 . ? 21.867 1.764 -24.389 1.00 29.21 ? 577 HOH D O 1 HETATM 13935 O O . HOH XA 7 . ? 19.745 1.270 -28.851 1.00 34.30 ? 578 HOH D O 1 HETATM 13936 O O . HOH XA 7 . ? -23.607 0.285 -23.975 1.00 30.20 ? 579 HOH D O 1 HETATM 13937 O O . HOH XA 7 . ? -19.948 7.739 -6.191 1.00 28.93 ? 580 HOH D O 1 HETATM 13938 O O . HOH XA 7 . ? 15.457 -2.660 -23.347 1.00 26.57 ? 581 HOH D O 1 HETATM 13939 O O . HOH XA 7 . ? 8.396 -1.851 -29.221 1.00 30.52 ? 582 HOH D O 1 HETATM 13940 O O . HOH XA 7 . ? 11.197 7.796 -31.014 1.00 26.67 ? 583 HOH D O 1 HETATM 13941 O O . HOH XA 7 . ? 16.850 6.806 -7.389 1.00 31.71 ? 584 HOH D O 1 HETATM 13942 O O . HOH XA 7 . ? 3.771 5.055 -32.344 1.00 32.25 ? 585 HOH D O 1 HETATM 13943 O O . HOH XA 7 . ? -21.906 7.749 -18.608 1.00 28.63 ? 586 HOH D O 1 HETATM 13944 O O . HOH XA 7 . ? 19.464 27.177 -31.329 1.00 30.04 ? 587 HOH D O 1 HETATM 13945 O O . HOH XA 7 . ? 25.193 6.444 -22.592 1.00 27.85 ? 588 HOH D O 1 HETATM 13946 O O . HOH XA 7 . ? -7.593 28.265 -11.150 1.00 26.67 ? 589 HOH D O 1 HETATM 13947 O O . HOH XA 7 . ? 2.120 27.690 -19.235 1.00 31.13 ? 590 HOH D O 1 HETATM 13948 O O . HOH XA 7 . ? -5.160 0.027 -7.756 1.00 34.09 ? 591 HOH D O 1 HETATM 13949 O O . HOH XA 7 . ? 4.857 7.101 -11.731 1.00 24.67 ? 592 HOH D O 1 HETATM 13950 O O . HOH XA 7 . ? 20.753 -4.659 -14.695 1.00 33.27 ? 593 HOH D O 1 HETATM 13951 O O . HOH XA 7 . ? -4.458 30.041 -4.741 1.00 32.98 ? 594 HOH D O 1 HETATM 13952 O O . HOH XA 7 . ? 18.879 26.997 -38.758 1.00 36.48 ? 595 HOH D O 1 HETATM 13953 O O . HOH XA 7 . ? 11.432 -1.630 -25.491 1.00 32.16 ? 596 HOH D O 1 HETATM 13954 O O . HOH XA 7 . ? 9.820 -2.525 -31.813 1.00 31.39 ? 597 HOH D O 1 HETATM 13955 O O . HOH XA 7 . ? -16.150 24.927 -2.542 1.00 32.00 ? 598 HOH D O 1 HETATM 13956 O O . HOH XA 7 . ? 23.492 6.760 -20.417 1.00 28.08 ? 599 HOH D O 1 HETATM 13957 O O . HOH XA 7 . ? -25.238 0.869 -16.863 1.00 32.54 ? 600 HOH D O 1 HETATM 13958 O O . HOH XA 7 . ? 13.751 1.384 -37.928 1.00 36.78 ? 601 HOH D O 1 HETATM 13959 O O . HOH XA 7 . ? 16.424 -0.461 -28.910 1.00 33.12 ? 602 HOH D O 1 HETATM 13960 O O . HOH XA 7 . ? -21.789 2.014 -26.325 1.00 36.38 ? 603 HOH D O 1 HETATM 13961 O O . HOH XA 7 . ? -3.932 7.115 -35.871 1.00 33.77 ? 604 HOH D O 1 HETATM 13962 O O . HOH XA 7 . ? 21.715 26.574 -29.704 1.00 39.11 ? 605 HOH D O 1 HETATM 13963 O O . HOH XA 7 . ? -8.806 20.105 2.801 1.00 33.23 ? 606 HOH D O 1 HETATM 13964 O O . HOH XA 7 . ? 22.223 10.973 -16.387 1.00 31.93 ? 607 HOH D O 1 HETATM 13965 O O . HOH XA 7 . ? -24.644 20.286 -21.142 1.00 38.57 ? 608 HOH D O 1 HETATM 13966 O O . HOH XA 7 . ? 12.188 24.854 -44.600 1.00 35.16 ? 609 HOH D O 1 HETATM 13967 O O . HOH XA 7 . ? -5.521 -2.431 -12.069 1.00 30.22 ? 610 HOH D O 1 HETATM 13968 O O . HOH XA 7 . ? -10.066 26.382 -1.738 1.00 33.70 ? 611 HOH D O 1 HETATM 13969 O O . HOH XA 7 . ? -17.125 30.415 -17.170 1.00 32.71 ? 612 HOH D O 1 HETATM 13970 O O . HOH XA 7 . ? -22.707 7.256 -12.985 1.00 39.32 ? 613 HOH D O 1 HETATM 13971 O O . HOH XA 7 . ? 11.988 -3.766 -23.790 1.00 35.61 ? 614 HOH D O 1 HETATM 13972 O O . HOH XA 7 . ? -11.851 24.573 -1.004 1.00 36.90 ? 615 HOH D O 1 HETATM 13973 O O . HOH XA 7 . ? 16.288 7.912 -30.008 1.00 32.72 ? 616 HOH D O 1 HETATM 13974 O O . HOH XA 7 . ? -10.845 6.697 -29.285 1.00 36.55 ? 617 HOH D O 1 HETATM 13975 O O . HOH XA 7 . ? -18.166 -3.282 -20.800 1.00 36.29 ? 618 HOH D O 1 HETATM 13976 O O . HOH XA 7 . ? -21.512 25.727 -18.610 1.00 41.64 ? 619 HOH D O 1 HETATM 13977 O O . HOH XA 7 . ? -3.166 6.251 3.188 1.00 37.57 ? 620 HOH D O 1 HETATM 13978 O O . HOH XA 7 . ? -8.978 36.262 -18.981 1.00 31.71 ? 621 HOH D O 1 HETATM 13979 O O . HOH XA 7 . ? 7.505 2.516 -19.352 1.00 39.40 ? 622 HOH D O 1 HETATM 13980 O O . HOH XA 7 . ? -1.175 15.108 -41.212 1.00 36.53 ? 623 HOH D O 1 HETATM 13981 O O . HOH XA 7 . ? -14.820 6.463 0.472 1.00 36.95 ? 624 HOH D O 1 HETATM 13982 O O . HOH XA 7 . ? -15.353 18.234 -32.587 1.00 41.15 ? 625 HOH D O 1 HETATM 13983 O O . HOH XA 7 . ? 25.993 19.453 -22.112 1.00 44.51 ? 626 HOH D O 1 HETATM 13984 O O . HOH XA 7 . ? -25.033 18.394 -22.630 1.00 37.88 ? 627 HOH D O 1 HETATM 13985 O O . HOH XA 7 . ? -1.863 3.518 -34.421 1.00 38.03 ? 628 HOH D O 1 HETATM 13986 O O . HOH XA 7 . ? 31.024 2.012 -24.022 1.00 39.48 ? 629 HOH D O 1 HETATM 13987 O O . HOH XA 7 . ? 14.811 6.399 -33.341 1.00 32.26 ? 630 HOH D O 1 HETATM 13988 O O . HOH XA 7 . ? 18.721 30.121 -31.096 1.00 39.15 ? 631 HOH D O 1 HETATM 13989 O O . HOH XA 7 . ? 1.703 0.473 -7.190 1.00 31.68 ? 632 HOH D O 1 HETATM 13990 O O . HOH XA 7 . ? 12.716 9.149 -32.809 1.00 39.38 ? 633 HOH D O 1 HETATM 13991 O O . HOH XA 7 . ? 14.565 23.321 -43.767 1.00 36.93 ? 634 HOH D O 1 HETATM 13992 O O . HOH XA 7 . ? 21.960 9.515 -26.980 1.00 37.88 ? 635 HOH D O 1 HETATM 13993 O O . HOH XA 7 . ? 31.100 4.160 -17.710 1.00 43.93 ? 636 HOH D O 1 HETATM 13994 O O . HOH XA 7 . ? -4.567 24.224 -27.302 0.80 27.34 ? 637 HOH D O 1 HETATM 13995 O O . HOH XA 7 . ? -26.234 1.989 -14.582 1.00 42.74 ? 638 HOH D O 1 HETATM 13996 O O . HOH XA 7 . ? -14.328 25.743 -0.795 1.00 36.99 ? 639 HOH D O 1 HETATM 13997 O O . HOH XA 7 . ? -8.627 11.789 5.498 1.00 38.51 ? 640 HOH D O 1 HETATM 13998 O O . HOH XA 7 . ? 9.190 23.092 -11.496 1.00 44.01 ? 641 HOH D O 1 HETATM 13999 O O . HOH XA 7 . ? 28.819 0.790 -14.554 1.00 37.11 ? 642 HOH D O 1 HETATM 14000 O O . HOH XA 7 . ? -20.214 -4.588 -14.792 1.00 52.71 ? 643 HOH D O 1 HETATM 14001 O O . HOH XA 7 . ? -15.948 13.580 2.746 1.00 42.76 ? 644 HOH D O 1 HETATM 14002 O O . HOH XA 7 . ? -19.140 25.135 -13.903 1.00 45.85 ? 645 HOH D O 1 HETATM 14003 O O . HOH XA 7 . ? 16.617 14.453 -34.056 1.00 35.25 ? 646 HOH D O 1 HETATM 14004 O O . HOH XA 7 . ? -3.007 8.035 -40.013 1.00 47.02 ? 647 HOH D O 1 HETATM 14005 O O . HOH XA 7 . ? -15.265 25.154 1.892 1.00 46.71 ? 648 HOH D O 1 HETATM 14006 O O . HOH XA 7 . ? 17.536 16.518 -37.769 1.00 44.80 ? 649 HOH D O 1 HETATM 14007 O O . HOH XA 7 . ? -20.645 15.437 1.276 1.00 46.02 ? 650 HOH D O 1 HETATM 14008 O O . HOH XA 7 . ? -20.365 6.628 -25.396 1.00 37.86 ? 651 HOH D O 1 HETATM 14009 O O . HOH XA 7 . ? -8.392 22.650 1.208 1.00 53.42 ? 652 HOH D O 1 HETATM 14010 O O . HOH XA 7 . ? -10.504 8.699 -35.500 1.00 48.40 ? 653 HOH D O 1 HETATM 14011 O O . HOH XA 7 . ? -5.247 20.593 3.753 1.00 49.52 ? 654 HOH D O 1 HETATM 14012 O O . HOH XA 7 . ? -5.424 7.526 -38.522 1.00 51.87 ? 655 HOH D O 1 HETATM 14013 O O . HOH XA 7 . ? -2.006 15.254 4.115 1.00 18.50 ? 656 HOH D O 1 HETATM 14014 O O . HOH XA 7 . ? -12.326 20.798 -20.850 0.50 27.41 ? 657 HOH D O 1 HETATM 14015 O O . HOH XA 7 . ? -22.030 -4.677 -9.532 1.00 44.21 ? 658 HOH D O 1 HETATM 14016 O O . HOH XA 7 . ? 1.906 1.438 -35.288 1.00 47.96 ? 659 HOH D O 1 HETATM 14017 O O . HOH XA 7 . ? -18.180 4.804 -25.807 1.00 40.15 ? 660 HOH D O 1 HETATM 14018 O O . HOH XA 7 . ? -8.304 37.032 -21.629 1.00 41.63 ? 661 HOH D O 1 HETATM 14019 O O . HOH XA 7 . ? -1.282 2.576 -0.235 1.00 49.77 ? 662 HOH D O 1 HETATM 14020 O O . HOH XA 7 . ? -7.651 12.776 -33.088 1.00 39.27 ? 663 HOH D O 1 HETATM 14021 O O . HOH XA 7 . ? -12.071 15.324 -41.695 1.00 46.24 ? 664 HOH D O 1 HETATM 14022 O O . HOH XA 7 . ? 17.500 -4.419 -23.426 1.00 39.17 ? 665 HOH D O 1 HETATM 14023 O O . HOH XA 7 . ? 13.028 27.546 -44.249 1.00 44.61 ? 666 HOH D O 1 HETATM 14024 O O . HOH XA 7 . ? 12.227 22.897 -21.251 1.00 39.82 ? 667 HOH D O 1 HETATM 14025 O O . HOH XA 7 . ? 8.870 16.192 -26.223 1.00 33.83 ? 668 HOH D O 1 HETATM 14026 O O . HOH XA 7 . ? 9.801 7.031 -5.522 1.00 35.17 ? 669 HOH D O 1 HETATM 14027 O O . HOH XA 7 . ? 15.268 8.013 -39.661 1.00 52.64 ? 670 HOH D O 1 HETATM 14028 O O . HOH XA 7 . ? -3.545 2.972 1.091 0.50 20.45 ? 671 HOH D O 1 HETATM 14029 O O . HOH XA 7 . ? 22.397 27.182 -34.665 1.00 45.59 ? 672 HOH D O 1 HETATM 14030 O O . HOH XA 7 . ? 14.373 -9.652 -34.641 1.00 47.48 ? 673 HOH D O 1 HETATM 14031 O O . HOH XA 7 . ? 3.713 1.349 -5.701 1.00 45.67 ? 674 HOH D O 1 HETATM 14032 O O . HOH XA 7 . ? 5.440 1.618 -42.485 1.00 42.09 ? 675 HOH D O 1 HETATM 14033 O O . HOH XA 7 . ? 22.995 13.919 -26.096 1.00 41.24 ? 676 HOH D O 1 HETATM 14034 O O . HOH XA 7 . ? 0.287 2.089 -33.311 1.00 40.03 ? 677 HOH D O 1 HETATM 14035 O O . HOH XA 7 . ? -4.312 26.398 -2.642 1.00 43.90 ? 678 HOH D O 1 HETATM 14036 O O . HOH XA 7 . ? -25.972 4.251 -13.107 1.00 48.13 ? 679 HOH D O 1 HETATM 14037 O O . HOH XA 7 . ? -20.576 4.577 -27.099 1.00 55.44 ? 680 HOH D O 1 HETATM 14038 O O . HOH XA 7 . ? -7.317 16.666 8.502 1.00 48.16 ? 681 HOH D O 1 HETATM 14039 O O . HOH XA 7 . ? -20.690 -1.075 -5.199 1.00 43.72 ? 682 HOH D O 1 HETATM 14040 O O . HOH XA 7 . ? 14.143 5.325 -36.408 1.00 44.74 ? 683 HOH D O 1 HETATM 14041 O O . HOH XA 7 . ? -2.662 -4.144 -17.646 1.00 34.63 ? 684 HOH D O 1 HETATM 14042 O O . HOH XA 7 . ? 15.686 -6.791 -31.733 1.00 43.22 ? 685 HOH D O 1 HETATM 14043 O O . HOH XA 7 . ? 14.399 14.811 -44.176 1.00 46.49 ? 686 HOH D O 1 HETATM 14044 O O . HOH XA 7 . ? 0.833 2.965 -37.662 1.00 51.17 ? 687 HOH D O 1 HETATM 14045 O O . HOH XA 7 . ? 19.168 4.018 -31.403 1.00 42.91 ? 688 HOH D O 1 HETATM 14046 O O . HOH XA 7 . ? -17.239 29.493 -19.368 1.00 47.03 ? 689 HOH D O 1 HETATM 14047 O O . HOH XA 7 . ? 18.338 -5.729 -20.961 1.00 45.23 ? 690 HOH D O 1 HETATM 14048 O O . HOH XA 7 . ? -7.291 25.840 -0.791 1.00 43.61 ? 691 HOH D O 1 HETATM 14049 O O . HOH XA 7 . ? 13.236 34.528 -35.820 1.00 44.77 ? 692 HOH D O 1 HETATM 14050 O O . HOH XA 7 . ? 15.334 12.732 -31.658 1.00 43.47 ? 693 HOH D O 1 HETATM 14051 O O . HOH XA 7 . ? 16.833 -3.663 -27.677 1.00 41.37 ? 694 HOH D O 1 HETATM 14052 O O . HOH XA 7 . ? -6.241 -2.256 -9.267 1.00 50.61 ? 695 HOH D O 1 HETATM 14053 O O . HOH XA 7 . ? -9.194 15.430 -37.433 1.00 46.56 ? 696 HOH D O 1 HETATM 14054 O O . HOH XA 7 . ? 14.030 27.081 -26.024 1.00 36.79 ? 697 HOH D O 1 HETATM 14055 O O . HOH XA 7 . ? 16.282 29.394 -42.756 1.00 43.16 ? 698 HOH D O 1 HETATM 14056 O O . HOH XA 7 . ? 19.142 20.424 -37.475 1.00 41.72 ? 699 HOH D O 1 HETATM 14057 O O . HOH XA 7 . ? 6.774 -0.929 -10.005 1.00 42.86 ? 700 HOH D O 1 HETATM 14058 O O . HOH XA 7 . ? -18.498 5.726 -2.695 1.00 46.45 ? 701 HOH D O 1 HETATM 14059 O O . HOH XA 7 . ? 16.609 24.738 -43.322 1.00 44.85 ? 702 HOH D O 1 HETATM 14060 O O . HOH XA 7 . ? 12.785 -7.543 -37.954 1.00 50.58 ? 703 HOH D O 1 HETATM 14061 O O . HOH XA 7 . ? -3.398 17.524 -39.919 1.00 26.53 ? 704 HOH D O 1 HETATM 14062 O O . HOH XA 7 . ? -5.982 17.377 -38.143 1.00 26.76 ? 705 HOH D O 1 HETATM 14063 O O . HOH XA 7 . ? 4.213 -0.823 -28.987 1.00 49.82 ? 706 HOH D O 1 HETATM 14064 O O . HOH XA 7 . ? 0.871 21.949 -7.878 1.00 39.94 ? 707 HOH D O 1 HETATM 14065 O O . HOH XA 7 . ? 5.999 -2.671 -29.334 1.00 40.96 ? 708 HOH D O 1 HETATM 14066 O O . HOH XA 7 . ? -4.097 0.400 -1.063 1.00 43.81 ? 709 HOH D O 1 HETATM 14067 O O . HOH XA 7 . ? 2.979 33.242 -20.888 1.00 46.71 ? 710 HOH D O 1 HETATM 14068 O O . HOH XA 7 . ? 4.190 1.872 -22.359 1.00 29.77 ? 711 HOH D O 1 HETATM 14069 O O . HOH XA 7 . ? 9.634 15.391 -23.731 1.00 29.49 ? 712 HOH D O 1 HETATM 14070 O O . HOH XA 7 . ? -2.339 14.966 -38.710 1.00 28.49 ? 713 HOH D O 1 HETATM 14071 O O . HOH XA 7 . ? 17.498 17.017 -32.233 1.00 35.47 ? 714 HOH D O 1 HETATM 14072 O O . HOH XA 7 . ? 16.819 15.980 -7.570 1.00 47.12 ? 715 HOH D O 1 HETATM 14073 O O . HOH XA 7 . ? 9.928 -3.183 -27.230 1.00 38.45 ? 716 HOH D O 1 HETATM 14074 O O . HOH XA 7 . ? -9.293 23.636 -22.587 0.80 31.49 ? 717 HOH D O 1 HETATM 14075 O O . HOH XA 7 . ? -1.904 31.413 -12.148 1.00 26.71 ? 718 HOH D O 1 HETATM 14076 O O . HOH XA 7 . ? 8.553 9.228 -3.725 1.00 34.39 ? 719 HOH D O 1 HETATM 14077 O O . HOH XA 7 . ? -13.533 7.071 4.666 1.00 32.61 ? 720 HOH D O 1 HETATM 14078 O O . HOH XA 7 . ? -3.475 29.386 -10.886 1.00 35.09 ? 721 HOH D O 1 HETATM 14079 O O . HOH XA 7 . ? 4.362 20.820 -2.173 1.00 31.41 ? 722 HOH D O 1 HETATM 14080 O O . HOH XA 7 . ? -3.684 -0.578 -28.010 1.00 38.29 ? 723 HOH D O 1 HETATM 14081 O O . HOH XA 7 . ? -5.079 3.148 5.045 0.50 21.56 ? 724 HOH D O 1 HETATM 14082 O O . HOH XA 7 . ? 16.580 19.436 -37.320 1.00 38.27 ? 725 HOH D O 1 HETATM 14083 O O . HOH XA 7 . ? 0.689 7.004 -2.031 1.00 25.24 ? 726 HOH D O 1 HETATM 14084 O O . HOH XA 7 . ? 1.270 2.776 -16.174 1.00 25.15 ? 727 HOH D O 1 HETATM 14085 O O . HOH XA 7 . ? 15.507 -6.902 -14.101 1.00 38.09 ? 728 HOH D O 1 HETATM 14086 O O . HOH XA 7 . ? 19.335 18.287 -32.247 1.00 42.39 ? 729 HOH D O 1 HETATM 14087 O O . HOH XA 7 . ? 6.846 28.309 -26.812 1.00 23.47 ? 730 HOH D O 1 HETATM 14088 O O . HOH XA 7 . ? 9.571 -6.694 -29.676 1.00 39.99 ? 731 HOH D O 1 HETATM 14089 O O . HOH XA 7 . ? 14.793 12.204 -40.931 1.00 49.64 ? 732 HOH D O 1 HETATM 14090 O O . HOH XA 7 . ? 8.623 -1.325 -24.670 1.00 52.42 ? 733 HOH D O 1 HETATM 14091 O O . HOH XA 7 . ? 6.269 2.339 -21.628 1.00 41.74 ? 734 HOH D O 1 HETATM 14092 O O . HOH XA 7 . ? 3.942 5.893 -43.940 1.00 45.63 ? 735 HOH D O 1 HETATM 14093 O O . HOH XA 7 . ? 24.348 0.917 -25.320 1.00 42.02 ? 736 HOH D O 1 HETATM 14094 O O . HOH XA 7 . ? -5.498 11.357 -31.682 1.00 20.31 ? 737 HOH D O 1 HETATM 14095 O O . HOH XA 7 . ? -13.979 14.403 -29.470 1.00 40.85 ? 738 HOH D O 1 HETATM 14096 O O . HOH XA 7 . ? -11.475 -4.939 -15.903 0.50 33.98 ? 739 HOH D O 1 HETATM 14097 O O . HOH XA 7 . ? -10.411 -0.195 -23.647 1.00 39.80 ? 740 HOH D O 1 HETATM 14098 O O . HOH XA 7 . ? -7.698 31.939 -5.744 1.00 42.73 ? 741 HOH D O 1 HETATM 14099 O O . HOH XA 7 . ? -5.017 16.279 6.986 1.00 37.11 ? 742 HOH D O 1 HETATM 14100 O O . HOH XA 7 . ? -8.701 26.251 -23.425 0.80 26.35 ? 743 HOH D O 1 HETATM 14101 O O . HOH XA 7 . ? 3.082 -0.635 -19.857 1.00 40.67 ? 744 HOH D O 1 HETATM 14102 O O . HOH XA 7 . ? -20.863 -2.517 -20.812 1.00 46.82 ? 745 HOH D O 1 HETATM 14103 O O . HOH XA 7 . ? -20.087 7.217 -3.595 1.00 47.76 ? 746 HOH D O 1 HETATM 14104 O O . HOH XA 7 . ? 9.267 -5.100 -32.106 1.00 42.65 ? 747 HOH D O 1 HETATM 14105 O O . HOH XA 7 . ? -9.523 -4.382 -17.643 0.50 22.85 ? 748 HOH D O 1 HETATM 14106 O O . HOH XA 7 . ? 21.792 24.072 -28.352 1.00 36.14 ? 749 HOH D O 1 HETATM 14107 O O . HOH XA 7 . ? 24.890 4.111 -25.487 1.00 49.81 ? 750 HOH D O 1 HETATM 14108 O O . HOH XA 7 . ? 23.191 -0.024 -8.564 1.00 46.31 ? 751 HOH D O 1 HETATM 14109 O O . HOH XA 7 . ? 24.258 21.820 -23.754 1.00 48.85 ? 752 HOH D O 1 HETATM 14110 O O . HOH XA 7 . ? 14.777 10.601 -31.877 1.00 44.87 ? 753 HOH D O 1 HETATM 14111 O O . HOH XA 7 . ? 14.898 -2.249 -25.875 1.00 41.55 ? 754 HOH D O 1 HETATM 14112 O O . HOH XA 7 . ? 1.631 9.603 -1.234 1.00 48.81 ? 755 HOH D O 1 HETATM 14113 O O . HOH XA 7 . ? -6.336 9.640 5.630 1.00 49.06 ? 756 HOH D O 1 HETATM 14114 O O . HOH XA 7 . ? 11.933 22.251 -1.376 1.00 46.01 ? 757 HOH D O 1 HETATM 14115 O O . HOH XA 7 . ? -5.446 32.072 -5.605 1.00 45.00 ? 758 HOH D O 1 HETATM 14116 O O . HOH XA 7 . ? -4.540 24.897 -0.679 1.00 45.81 ? 759 HOH D O 1 HETATM 14117 O O . HOH XA 7 . ? 15.448 12.270 -7.741 1.00 54.19 ? 760 HOH D O 1 HETATM 14118 O O . HOH XA 7 . ? 3.139 1.735 -32.245 1.00 52.42 ? 761 HOH D O 1 HETATM 14119 O O . HOH XA 7 . ? -3.968 2.553 -33.235 1.00 57.24 ? 762 HOH D O 1 HETATM 14120 O O . HOH XA 7 . ? 3.283 23.583 -19.390 1.00 47.68 ? 763 HOH D O 1 HETATM 14121 O O . HOH XA 7 . ? -4.417 2.183 -30.657 1.00 57.00 ? 764 HOH D O 1 HETATM 14122 O O . HOH XA 7 . ? 20.462 -7.295 -17.446 1.00 54.79 ? 765 HOH D O 1 HETATM 14123 O O . HOH XA 7 . ? -16.161 6.663 -1.648 1.00 48.24 ? 766 HOH D O 1 HETATM 14124 O O . HOH XA 7 . ? -11.763 23.503 -30.267 1.00 42.54 ? 767 HOH D O 1 HETATM 14125 O O . HOH XA 7 . ? 17.879 -3.226 -17.991 1.00 34.08 ? 768 HOH D O 1 HETATM 14126 O O . HOH XA 7 . ? 21.672 28.589 -27.672 1.00 52.97 ? 769 HOH D O 1 HETATM 14127 O O . HOH XA 7 . ? 9.302 3.923 -6.304 1.00 53.56 ? 770 HOH D O 1 HETATM 14128 O O . HOH XA 7 . ? -17.465 -4.052 -10.583 1.00 53.50 ? 771 HOH D O 1 HETATM 14129 O O . HOH XA 7 . ? -17.114 -3.017 0.030 1.00 45.92 ? 772 HOH D O 1 HETATM 14130 O O . HOH XA 7 . ? -20.737 9.593 -2.868 1.00 56.61 ? 773 HOH D O 1 HETATM 14131 O O . HOH XA 7 . ? -21.701 11.895 -2.952 1.00 55.71 ? 774 HOH D O 1 HETATM 14132 O O . HOH XA 7 . ? 11.888 3.187 -4.925 1.00 55.05 ? 775 HOH D O 1 HETATM 14133 O O . HOH XA 7 . ? 13.077 1.813 -6.957 1.00 59.76 ? 776 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 . HIS A 5 ? 0.3257 0.4581 0.3619 -0.0329 -0.0355 0.0265 4 HIS A N 2 C CA . HIS A 5 ? 0.3072 0.4306 0.3434 -0.0343 -0.0331 0.0241 4 HIS A CA 3 C C . HIS A 5 ? 0.2770 0.3989 0.3166 -0.0257 -0.0271 0.0236 4 HIS A C 4 O O . HIS A 5 ? 0.2957 0.4143 0.3337 -0.0189 -0.0244 0.0227 4 HIS A O 5 C CB . HIS A 5 ? 0.3246 0.4288 0.3513 -0.0379 -0.0343 0.0189 4 HIS A CB 6 C CG . HIS A 5 ? 0.3346 0.4274 0.3553 -0.0322 -0.0321 0.0154 4 HIS A CG 7 N ND1 . HIS A 5 ? 0.3637 0.4486 0.3763 -0.0346 -0.0351 0.0133 4 HIS A ND1 8 C CD2 . HIS A 5 ? 0.3482 0.4357 0.3695 -0.0247 -0.0271 0.0138 4 HIS A CD2 9 C CE1 . HIS A 5 ? 0.3741 0.4500 0.3829 -0.0286 -0.0319 0.0107 4 HIS A CE1 10 N NE2 . HIS A 5 ? 0.3481 0.4256 0.3622 -0.0229 -0.0271 0.0110 4 HIS A NE2 11 N N . PRO A 6 ? 0.2362 0.3585 0.2793 -0.0265 -0.0252 0.0239 5 PRO A N 12 C CA . PRO A 6 ? 0.2205 0.3419 0.2662 -0.0185 -0.0198 0.0238 5 PRO A CA 13 C C . PRO A 6 ? 0.2008 0.3047 0.2408 -0.0157 -0.0171 0.0187 5 PRO A C 14 O O . PRO A 6 ? 0.2024 0.2953 0.2376 -0.0204 -0.0187 0.0154 5 PRO A O 15 C CB . PRO A 6 ? 0.2243 0.3527 0.2752 -0.0211 -0.0192 0.0260 5 PRO A CB 16 C CG . PRO A 6 ? 0.2406 0.3634 0.2885 -0.0305 -0.0232 0.0246 5 PRO A CG 17 C CD . PRO A 6 ? 0.2460 0.3697 0.2902 -0.0345 -0.0277 0.0247 5 PRO A CD 18 N N . PRO A 7 ? 0.1857 0.2869 0.2258 -0.0083 -0.0130 0.0183 6 PRO A N 19 C CA . PRO A 7 ? 0.1798 0.2661 0.2156 -0.0064 -0.0104 0.0141 6 PRO A CA 20 C C . PRO A 7 ? 0.1799 0.2610 0.2163 -0.0097 -0.0099 0.0123 6 PRO A C 21 O O . PRO A 7 ? 0.1626 0.2514 0.2033 -0.0110 -0.0098 0.0146 6 PRO A O 22 C CB . PRO A 7 ? 0.1840 0.2698 0.2197 0.0013 -0.0065 0.0149 6 PRO A CB 23 C CG . PRO A 7 ? 0.1944 0.2945 0.2341 0.0046 -0.0067 0.0194 6 PRO A CG 24 C CD . PRO A 7 ? 0.1852 0.2966 0.2289 -0.0016 -0.0106 0.0219 6 PRO A CD 25 N N . VAL A 8 ? 0.1689 0.2375 0.2009 -0.0105 -0.0093 0.0086 7 VAL A N 26 C CA . VAL A 8 ? 0.1624 0.2247 0.1937 -0.0135 -0.0090 0.0067 7 VAL A CA 27 C C . VAL A 8 ? 0.1571 0.2109 0.1870 -0.0096 -0.0057 0.0043 7 VAL A C 28 O O . VAL A 8 ? 0.1487 0.1967 0.1754 -0.0074 -0.0048 0.0027 7 VAL A O 29 C CB . VAL A 8 ? 0.1695 0.2248 0.1957 -0.0189 -0.0121 0.0047 7 VAL A CB 30 C CG1 . VAL A 8 ? 0.1785 0.2251 0.2026 -0.0206 -0.0115 0.0025 7 VAL A CG1 31 C CG2 . VAL A 8 ? 0.1807 0.2439 0.2079 -0.0245 -0.0161 0.0073 7 VAL A CG2 32 N N . VAL A 9 ? 0.1505 0.2037 0.1824 -0.0093 -0.0042 0.0042 8 VAL A N 33 C CA . VAL A 9 ? 0.1663 0.2115 0.1967 -0.0069 -0.0018 0.0020 8 VAL A CA 34 C C . VAL A 9 ? 0.1693 0.2095 0.1987 -0.0103 -0.0025 0.0004 8 VAL A C 35 O O . VAL A 9 ? 0.1650 0.2089 0.1963 -0.0130 -0.0034 0.0017 8 VAL A O 36 C CB . VAL A 9 ? 0.1695 0.2171 0.2019 -0.0027 0.0008 0.0032 8 VAL A CB 37 C CG1 . VAL A 9 ? 0.1718 0.2115 0.2025 -0.0017 0.0025 0.0009 8 VAL A CG1 38 C CG2 . VAL A 9 ? 0.1809 0.2311 0.2125 0.0014 0.0018 0.0046 8 VAL A CG2 39 N N . LEU A 10 ? 0.1644 0.1965 0.1904 -0.0100 -0.0020 -0.0020 9 LEU A N 40 C CA . LEU A 10 ? 0.1671 0.1933 0.1909 -0.0120 -0.0024 -0.0036 9 LEU A CA 41 C C . LEU A 10 ? 0.1655 0.1895 0.1907 -0.0098 -0.0002 -0.0044 9 LEU A C 42 O O . LEU A 10 ? 0.1595 0.1820 0.1848 -0.0071 0.0013 -0.0050 9 LEU A O 43 C CB . LEU A 10 ? 0.1778 0.1970 0.1964 -0.0123 -0.0032 -0.0055 9 LEU A CB 44 C CG . LEU A 10 ? 0.1848 0.2044 0.2003 -0.0143 -0.0056 -0.0053 9 LEU A CG 45 C CD1 . LEU A 10 ? 0.2011 0.2130 0.2104 -0.0133 -0.0056 -0.0073 9 LEU A CD1 46 C CD2 . LEU A 10 ? 0.1932 0.2140 0.2076 -0.0193 -0.0085 -0.0042 9 LEU A CD2 47 N N . VAL A 11 ? 0.1575 0.1810 0.1833 -0.0113 -0.0004 -0.0042 10 VAL A N 48 C CA . VAL A 11 ? 0.1497 0.1714 0.1765 -0.0095 0.0012 -0.0047 10 VAL A CA 49 C C . VAL A 11 ? 0.1548 0.1707 0.1789 -0.0106 0.0007 -0.0060 10 VAL A C 50 O O . VAL A 11 ? 0.1501 0.1647 0.1727 -0.0133 -0.0005 -0.0056 10 VAL A O 51 C CB . VAL A 11 ? 0.1462 0.1730 0.1760 -0.0091 0.0019 -0.0030 10 VAL A CB 52 C CG1 . VAL A 11 ? 0.1448 0.1688 0.1745 -0.0071 0.0035 -0.0038 10 VAL A CG1 53 C CG2 . VAL A 11 ? 0.1548 0.1876 0.1866 -0.0072 0.0025 -0.0012 10 VAL A CG2 54 N N . PRO A 12 ? 0.1514 0.1639 0.1744 -0.0085 0.0018 -0.0074 11 PRO A N 55 C CA . PRO A 12 ? 0.1569 0.1641 0.1766 -0.0084 0.0016 -0.0084 11 PRO A CA 56 C C . PRO A 12 ? 0.1623 0.1690 0.1829 -0.0082 0.0021 -0.0082 11 PRO A C 57 O O . PRO A 12 ? 0.1570 0.1672 0.1807 -0.0079 0.0027 -0.0075 11 PRO A O 58 C CB . PRO A 12 ? 0.1556 0.1620 0.1749 -0.0058 0.0028 -0.0092 11 PRO A CB 59 C CG . PRO A 12 ? 0.1540 0.1646 0.1770 -0.0051 0.0037 -0.0086 11 PRO A CG 60 C CD . PRO A 12 ? 0.1530 0.1665 0.1773 -0.0063 0.0031 -0.0076 11 PRO A CD 61 N N . GLY A 13 ? 0.1757 0.1772 0.1927 -0.0078 0.0018 -0.0088 12 GLY A N 62 C CA . GLY A 13 ? 0.1842 0.1849 0.2015 -0.0071 0.0022 -0.0086 12 GLY A CA 63 C C . GLY A 13 ? 0.1929 0.1946 0.2111 -0.0042 0.0033 -0.0090 12 GLY A C 64 O O . GLY A 13 ? 0.1923 0.1965 0.2121 -0.0030 0.0040 -0.0093 12 GLY A O 65 N N . ASP A 14 ? 0.1974 0.1977 0.2149 -0.0033 0.0034 -0.0088 13 ASP A N 66 C CA . ASP A 14 ? 0.2120 0.2142 0.2304 -0.0006 0.0041 -0.0088 13 ASP A CA 67 C C . ASP A 14 ? 0.2103 0.2111 0.2261 0.0019 0.0047 -0.0091 13 ASP A C 68 O O . ASP A 14 ? 0.2197 0.2144 0.2303 0.0025 0.0045 -0.0096 13 ASP A O 69 C CB . ASP A 14 ? 0.2281 0.2283 0.2450 0.0000 0.0039 -0.0084 13 ASP A CB 70 C CG . ASP A 14 ? 0.2540 0.2586 0.2733 0.0018 0.0041 -0.0079 13 ASP A CG 71 O OD1 . ASP A 14 ? 0.2391 0.2486 0.2615 0.0021 0.0043 -0.0077 13 ASP A OD1 72 O OD2 . ASP A 14 ? 0.2780 0.2813 0.2961 0.0024 0.0039 -0.0075 13 ASP A OD2 73 N N . LEU A 15 ? 0.2056 0.2118 0.2245 0.0034 0.0055 -0.0086 14 LEU A N 74 C CA . LEU A 15 ? 0.2158 0.2227 0.2330 0.0064 0.0066 -0.0084 14 LEU A CA 75 C C . LEU A 15 ? 0.1988 0.2034 0.2141 0.0056 0.0066 -0.0091 14 LEU A C 76 O O . LEU A 15 ? 0.1960 0.1996 0.2083 0.0084 0.0076 -0.0090 14 LEU A O 77 C CB . LEU A 15 ? 0.2371 0.2392 0.2489 0.0103 0.0071 -0.0083 14 LEU A CB 78 C CG . LEU A 15 ? 0.2746 0.2776 0.2866 0.0118 0.0069 -0.0076 14 LEU A CG 79 C CD1 . LEU A 15 ? 0.2845 0.2813 0.2895 0.0166 0.0077 -0.0074 14 LEU A CD1 80 C CD2 . LEU A 15 ? 0.2773 0.2902 0.2955 0.0121 0.0071 -0.0061 14 LEU A CD2 81 N N . GLY A 16 ? 0.1796 0.1837 0.1963 0.0023 0.0057 -0.0095 15 GLY A N 82 C CA . GLY A 16 ? 0.1783 0.1792 0.1921 0.0012 0.0052 -0.0101 15 GLY A CA 83 C C . GLY A 16 ? 0.1777 0.1824 0.1938 0.0010 0.0058 -0.0099 15 GLY A C 84 O O . GLY A 16 ? 0.1730 0.1759 0.1873 0.0000 0.0051 -0.0102 15 GLY A O 85 N N . ASN A 17 ? 0.1622 0.1720 0.1820 0.0018 0.0068 -0.0090 16 ASN A N 86 C CA . ASN A 17 ? 0.1612 0.1739 0.1822 0.0019 0.0076 -0.0084 16 ASN A CA 87 C C . ASN A 17 ? 0.1670 0.1850 0.1905 0.0032 0.0089 -0.0071 16 ASN A C 88 O O . ASN A 17 ? 0.1555 0.1762 0.1810 0.0035 0.0088 -0.0065 16 ASN A O 89 C CB . ASN A 17 ? 0.1605 0.1741 0.1836 -0.0005 0.0070 -0.0083 16 ASN A CB 90 C CG . ASN A 17 ? 0.1620 0.1770 0.1879 -0.0020 0.0066 -0.0080 16 ASN A CG 91 O OD1 . ASN A 17 ? 0.1688 0.1823 0.1947 -0.0029 0.0059 -0.0083 16 ASN A OD1 92 N ND2 . ASN A 17 ? 0.1602 0.1781 0.1881 -0.0024 0.0070 -0.0072 16 ASN A ND2 93 N N . GLN A 18 ? 0.1730 0.1933 0.1964 0.0039 0.0100 -0.0063 17 GLN A N 94 C CA . GLN A 18 ? 0.1729 0.2000 0.1993 0.0046 0.0112 -0.0043 17 GLN A CA 95 C C . GLN A 18 ? 0.1724 0.2029 0.2031 0.0010 0.0103 -0.0034 17 GLN A C 96 O O . GLN A 18 ? 0.1554 0.1825 0.1859 -0.0014 0.0093 -0.0042 17 GLN A O 97 C CB . GLN A 18 ? 0.1873 0.2162 0.2130 0.0052 0.0126 -0.0033 17 GLN A CB 98 C CG . GLN A 18 ? 0.2005 0.2257 0.2207 0.0091 0.0136 -0.0041 17 GLN A CG 99 C CD . GLN A 18 ? 0.2243 0.2513 0.2433 0.0098 0.0151 -0.0031 17 GLN A CD 100 O OE1 . GLN A 18 ? 0.2078 0.2404 0.2306 0.0078 0.0158 -0.0011 17 GLN A OE1 101 N NE2 . GLN A 18 ? 0.2159 0.2373 0.2288 0.0123 0.0153 -0.0043 17 GLN A NE2 102 N N . LEU A 19 ? 0.1741 0.2115 0.2080 0.0009 0.0106 -0.0015 18 LEU A N 103 C CA . LEU A 19 ? 0.1702 0.2112 0.2072 -0.0031 0.0095 -0.0002 18 LEU A CA 104 C C . LEU A 19 ? 0.1817 0.2314 0.2218 -0.0038 0.0105 0.0027 18 LEU A C 105 O O . LEU A 19 ? 0.1735 0.2287 0.2144 -0.0001 0.0122 0.0040 18 LEU A O 106 C CB . LEU A 19 ? 0.1773 0.2193 0.2156 -0.0037 0.0081 -0.0004 18 LEU A CB 107 C CG . LEU A 19 ? 0.1880 0.2228 0.2239 -0.0035 0.0070 -0.0028 18 LEU A CG 108 C CD1 . LEU A 19 ? 0.1954 0.2322 0.2324 -0.0037 0.0058 -0.0025 18 LEU A CD1 109 C CD2 . LEU A 19 ? 0.1912 0.2204 0.2253 -0.0062 0.0063 -0.0038 18 LEU A CD2 110 N N . GLU A 20 ? 0.1821 0.2326 0.2233 -0.0086 0.0097 0.0039 19 GLU A N 111 C CA . GLU A 20 ? 0.1998 0.2591 0.2442 -0.0107 0.0104 0.0073 19 GLU A CA 112 C C . GLU A 20 ? 0.1943 0.2577 0.2412 -0.0161 0.0081 0.0090 19 GLU A C 113 O O . GLU A 20 ? 0.1980 0.2540 0.2424 -0.0190 0.0061 0.0072 19 GLU A O 114 C CB . GLU A 20 ? 0.2228 0.2783 0.2650 -0.0126 0.0112 0.0077 19 GLU A CB 115 C CG . GLU A 20 ? 0.2518 0.3052 0.2916 -0.0076 0.0134 0.0067 19 GLU A CG 116 C CD . GLU A 20 ? 0.2751 0.3241 0.3120 -0.0089 0.0140 0.0069 19 GLU A CD 117 O OE1 . GLU A 20 ? 0.2863 0.3315 0.3222 -0.0134 0.0128 0.0073 19 GLU A OE1 118 O OE2 . GLU A 20 ? 0.3014 0.3496 0.3361 -0.0051 0.0157 0.0064 19 GLU A OE2 119 N N . ALA A 21 ? 0.1771 0.2523 0.2286 -0.0176 0.0084 0.0126 20 ALA A N 120 C CA . ALA A 21 ? 0.1776 0.2578 0.2315 -0.0236 0.0057 0.0147 20 ALA A CA 121 C C . ALA A 21 ? 0.1912 0.2796 0.2479 -0.0287 0.0058 0.0188 20 ALA A C 122 O O . ALA A 21 ? 0.1849 0.2800 0.2438 -0.0259 0.0085 0.0209 20 ALA A O 123 C CB . ALA A 21 ? 0.1783 0.2675 0.2361 -0.0211 0.0051 0.0157 20 ALA A CB 124 N N . LYS A 22 ? 0.2004 0.2876 0.2564 -0.0363 0.0028 0.0200 21 LYS A N 125 C CA . LYS A 22 ? 0.2154 0.3113 0.2742 -0.0429 0.0020 0.0245 21 LYS A CA 126 C C . LYS A 22 ? 0.2154 0.3188 0.2770 -0.0487 -0.0014 0.0267 21 LYS A C 127 O O . LYS A 22 ? 0.2078 0.3027 0.2656 -0.0503 -0.0041 0.0239 21 LYS A O 128 C CB . LYS A 22 ? 0.2463 0.3299 0.2989 -0.0481 0.0014 0.0238 21 LYS A CB 129 C CG . LYS A 22 ? 0.2800 0.3708 0.3344 -0.0560 0.0004 0.0287 21 LYS A CG 130 C CD . LYS A 22 ? 0.3337 0.4101 0.3804 -0.0602 0.0001 0.0279 21 LYS A CD 131 C CE . LYS A 22 ? 0.4086 0.4922 0.4569 -0.0684 -0.0005 0.0331 21 LYS A CE 132 N NZ . LYS A 22 ? 0.4590 0.5289 0.4996 -0.0708 0.0000 0.0327 21 LYS A NZ 133 N N . LEU A 23 ? 0.2110 0.3314 0.2795 -0.0516 -0.0015 0.0319 22 LEU A N 134 C CA . LEU A 23 ? 0.2075 0.3389 0.2803 -0.0559 -0.0047 0.0346 22 LEU A CA 135 C C . LEU A 23 ? 0.2182 0.3561 0.2923 -0.0669 -0.0078 0.0391 22 LEU A C 136 O O . LEU A 23 ? 0.2100 0.3539 0.2863 -0.0693 -0.0060 0.0426 22 LEU A O 137 C CB . LEU A 23 ? 0.2049 0.3547 0.2858 -0.0487 -0.0023 0.0376 22 LEU A CB 138 C CG . LEU A 23 ? 0.2031 0.3483 0.2826 -0.0376 0.0010 0.0341 22 LEU A CG 139 C CD1 . LEU A 23 ? 0.2048 0.3679 0.2909 -0.0308 0.0035 0.0379 22 LEU A CD1 140 C CD2 . LEU A 23 ? 0.2065 0.3379 0.2807 -0.0363 -0.0009 0.0291 22 LEU A CD2 141 N N . ASP A 24 ? 0.2382 0.3748 0.3106 -0.0738 -0.0125 0.0393 23 ASP A N 142 C CA . ASP A 24 ? 0.2611 0.4084 0.3363 -0.0850 -0.0164 0.0446 23 ASP A CA 143 C C . ASP A 24 ? 0.2611 0.4133 0.3373 -0.0876 -0.0207 0.0446 23 ASP A C 144 O O . ASP A 24 ? 0.2609 0.4010 0.3297 -0.0951 -0.0252 0.0428 23 ASP A O 145 C CB . ASP A 24 ? 0.3040 0.4349 0.3700 -0.0943 -0.0188 0.0439 23 ASP A CB 146 C CG . ASP A 24 ? 0.3578 0.4994 0.4263 -0.1067 -0.0226 0.0499 23 ASP A CG 147 O OD1 . ASP A 24 ? 0.3628 0.5273 0.4416 -0.1080 -0.0230 0.0552 23 ASP A OD1 148 O OD2 . ASP A 24 ? 0.4338 0.5608 0.4935 -0.1154 -0.0251 0.0495 23 ASP A OD2 149 N N . LYS A 25 ? 0.2396 0.4084 0.3240 -0.0807 -0.0191 0.0466 24 LYS A N 150 C CA . LYS A 25 ? 0.2496 0.4220 0.3348 -0.0801 -0.0222 0.0458 24 LYS A CA 151 C C . LYS A 25 ? 0.2615 0.4518 0.3525 -0.0895 -0.0267 0.0518 24 LYS A C 152 O O . LYS A 25 ? 0.2443 0.4528 0.3432 -0.0916 -0.0255 0.0577 24 LYS A O 153 C CB . LYS A 25 ? 0.2423 0.4236 0.3328 -0.0676 -0.0183 0.0453 24 LYS A CB 154 C CG . LYS A 25 ? 0.2451 0.4099 0.3301 -0.0585 -0.0142 0.0396 24 LYS A CG 155 C CD . LYS A 25 ? 0.2483 0.4231 0.3383 -0.0468 -0.0096 0.0404 24 LYS A CD 156 C CE . LYS A 25 ? 0.2390 0.4200 0.3309 -0.0420 -0.0108 0.0404 24 LYS A CE 157 N NZ . LYS A 25 ? 0.2384 0.4013 0.3229 -0.0395 -0.0117 0.0345 24 LYS A NZ 158 N N . PRO A 26 ? 0.2923 0.4780 0.3791 -0.0951 -0.0320 0.0506 25 PRO A N 159 C CA . PRO A 26 ? 0.3124 0.5164 0.4049 -0.1045 -0.0369 0.0566 25 PRO A CA 160 C C . PRO A 26 ? 0.3018 0.5323 0.4065 -0.0975 -0.0351 0.0615 25 PRO A C 161 O O . PRO A 26 ? 0.2993 0.5516 0.4124 -0.1033 -0.0370 0.0684 25 PRO A O 162 C CB . PRO A 26 ? 0.3241 0.5132 0.4071 -0.1108 -0.0428 0.0530 25 PRO A CB 163 C CG . PRO A 26 ? 0.3297 0.4988 0.4052 -0.1015 -0.0400 0.0459 25 PRO A CG 164 C CD . PRO A 26 ? 0.3110 0.4741 0.3870 -0.0944 -0.0340 0.0441 25 PRO A CD 165 N N . THR A 27 ? 0.2871 0.5153 0.3921 -0.0852 -0.0317 0.0582 26 THR A N 166 C CA . THR A 27 ? 0.3040 0.5541 0.4184 -0.0766 -0.0296 0.0623 26 THR A CA 167 C C . THR A 27 ? 0.2844 0.5282 0.3979 -0.0623 -0.0232 0.0588 26 THR A C 168 O O . THR A 27 ? 0.2557 0.4776 0.3611 -0.0595 -0.0216 0.0526 26 THR A O 169 C CB . THR A 27 ? 0.3339 0.5884 0.4481 -0.0775 -0.0342 0.0623 26 THR A CB 170 O OG1 . THR A 27 ? 0.3853 0.6168 0.4898 -0.0733 -0.0342 0.0550 26 THR A OG1 171 C CG2 . THR A 27 ? 0.3689 0.6286 0.4827 -0.0921 -0.0413 0.0655 26 THR A CG2 172 N N . VAL A 28 ? 0.2612 0.5242 0.3825 -0.0533 -0.0197 0.0630 27 VAL A N 173 C CA . VAL A 28 ? 0.2525 0.5091 0.3716 -0.0393 -0.0141 0.0599 27 VAL A CA 174 C C . VAL A 28 ? 0.2327 0.5012 0.3550 -0.0310 -0.0139 0.0619 27 VAL A C 175 O O . VAL A 28 ? 0.2109 0.4987 0.3398 -0.0346 -0.0170 0.0672 27 VAL A O 176 C CB . VAL A 28 ? 0.2559 0.5201 0.3784 -0.0335 -0.0085 0.0626 27 VAL A CB 177 C CG1 . VAL A 28 ? 0.2678 0.5151 0.3849 -0.0388 -0.0077 0.0591 27 VAL A CG1 178 C CG2 . VAL A 28 ? 0.2565 0.5494 0.3898 -0.0358 -0.0084 0.0713 27 VAL A CG2 179 N N . VAL A 29 ? 0.2143 0.4711 0.3314 -0.0201 -0.0105 0.0578 28 VAL A N 180 C CA . VAL A 29 ? 0.2264 0.4912 0.3446 -0.0115 -0.0102 0.0591 28 VAL A CA 181 C C . VAL A 29 ? 0.2163 0.5026 0.3412 -0.0017 -0.0060 0.0653 28 VAL A C 182 O O . VAL A 29 ? 0.2147 0.5146 0.3429 0.0035 -0.0066 0.0687 28 VAL A O 183 C CB . VAL A 29 ? 0.2321 0.4748 0.3410 -0.0041 -0.0086 0.0526 28 VAL A CB 184 C CG1 . VAL A 29 ? 0.2460 0.4701 0.3487 -0.0129 -0.0127 0.0473 28 VAL A CG1 185 C CG2 . VAL A 29 ? 0.2372 0.4689 0.3417 0.0040 -0.0030 0.0498 28 VAL A CG2 186 N N . HIS A 30 ? 0.2189 0.5080 0.3451 0.0012 -0.0016 0.0667 29 HIS A N 187 C CA . HIS A 30 ? 0.2294 0.5401 0.3619 0.0101 0.0026 0.0732 29 HIS A CA 188 C C . HIS A 30 ? 0.2152 0.5359 0.3530 0.0037 0.0038 0.0769 29 HIS A C 189 O O . HIS A 30 ? 0.1923 0.4969 0.3258 -0.0027 0.0034 0.0728 29 HIS A O 190 C CB . HIS A 30 ? 0.2391 0.5396 0.3645 0.0250 0.0086 0.0706 29 HIS A CB 191 C CG . HIS A 30 ? 0.2444 0.5319 0.3628 0.0320 0.0082 0.0667 29 HIS A CG 192 N ND1 . HIS A 30 ? 0.2472 0.5471 0.3689 0.0343 0.0059 0.0698 29 HIS A ND1 193 C CD2 . HIS A 30 ? 0.2621 0.5252 0.3701 0.0368 0.0097 0.0600 29 HIS A CD2 194 C CE1 . HIS A 30 ? 0.2597 0.5427 0.3731 0.0404 0.0061 0.0652 29 HIS A CE1 195 N NE2 . HIS A 30 ? 0.2783 0.5389 0.3834 0.0417 0.0083 0.0593 29 HIS A NE2 196 N N . TYR A 31 ? 0.2063 0.5535 0.3531 0.0064 0.0056 0.0848 30 TYR A N 197 C CA . TYR A 31 ? 0.2130 0.5720 0.3653 0.0013 0.0075 0.0892 30 TYR A CA 198 C C . TYR A 31 ? 0.2335 0.5779 0.3792 0.0080 0.0130 0.0858 30 TYR A C 199 O O . TYR A 31 ? 0.2462 0.5900 0.3930 0.0013 0.0136 0.0867 30 TYR A O 200 C CB . TYR A 31 ? 0.2058 0.5985 0.3696 0.0036 0.0087 0.0991 30 TYR A CB 201 C CG . TYR A 31 ? 0.2005 0.6075 0.3716 -0.0095 0.0018 0.1030 30 TYR A CG 202 C CD1 . TYR A 31 ? 0.2027 0.6136 0.3776 -0.0248 -0.0019 0.1054 30 TYR A CD1 203 C CD2 . TYR A 31 ? 0.2086 0.6235 0.3816 -0.0070 -0.0013 0.1041 30 TYR A CD2 204 C CE1 . TYR A 31 ? 0.2177 0.6406 0.3980 -0.0377 -0.0088 0.1090 30 TYR A CE1 205 C CE2 . TYR A 31 ? 0.2188 0.6468 0.3978 -0.0194 -0.0081 0.1078 30 TYR A CE2 206 C CZ . TYR A 31 ? 0.2241 0.6556 0.4064 -0.0351 -0.0120 0.1101 30 TYR A CZ 207 O OH . TYR A 31 ? 0.2424 0.6865 0.4298 -0.0479 -0.0191 0.1139 30 TYR A OH 208 N N . LEU A 32 ? 0.2489 0.5800 0.3867 0.0207 0.0169 0.0817 31 LEU A N 209 C CA . LEU A 32 ? 0.2940 0.6095 0.4243 0.0266 0.0216 0.0779 31 LEU A CA 210 C C . LEU A 32 ? 0.2848 0.5734 0.4076 0.0189 0.0191 0.0701 31 LEU A C 211 O O . LEU A 32 ? 0.2900 0.5659 0.4070 0.0218 0.0222 0.0671 31 LEU A O 212 C CB . LEU A 32 ? 0.3485 0.6591 0.4718 0.0429 0.0266 0.0767 31 LEU A CB 213 C CG . LEU A 32 ? 0.3978 0.6962 0.5150 0.0488 0.0252 0.0727 31 LEU A CG 214 C CD1 . LEU A 32 ? 0.4272 0.6972 0.5355 0.0441 0.0229 0.0642 31 LEU A CD1 215 C CD2 . LEU A 32 ? 0.4424 0.7420 0.5537 0.0652 0.0305 0.0740 31 LEU A CD2 216 N N . CYS A 33 ? 0.2683 0.5490 0.3909 0.0095 0.0137 0.0673 32 CYS A N 217 C CA . CYS A 33 ? 0.2696 0.5266 0.3853 0.0021 0.0114 0.0607 32 CYS A CA 218 C C . CYS A 33 ? 0.2637 0.5240 0.3827 -0.0091 0.0098 0.0629 32 CYS A C 219 O O . CYS A 33 ? 0.2514 0.5288 0.3779 -0.0169 0.0070 0.0683 32 CYS A O 220 C CB . CYS A 33 ? 0.2736 0.5203 0.3867 -0.0029 0.0064 0.0569 32 CYS A CB 221 S SG . CYS A 33 ? 0.3018 0.5448 0.4112 0.0077 0.0068 0.0547 32 CYS A SG 222 N N . SER A 34 ? 0.2427 0.4866 0.3559 -0.0106 0.0112 0.0589 33 SER A N 223 C CA . SER A 34 ? 0.2647 0.5081 0.3793 -0.0217 0.0094 0.0605 33 SER A CA 224 C C . SER A 34 ? 0.2566 0.4907 0.3691 -0.0332 0.0034 0.0582 33 SER A C 225 O O . SER A 34 ? 0.2341 0.4510 0.3403 -0.0323 0.0017 0.0524 33 SER A O 226 C CB . SER A 34 ? 0.2946 0.5215 0.4025 -0.0198 0.0123 0.0566 33 SER A CB 227 O OG . SER A 34 ? 0.3339 0.5687 0.4425 -0.0103 0.0177 0.0589 33 SER A OG 228 N N . LYS A 35 ? 0.2409 0.4857 0.3580 -0.0441 0.0003 0.0629 34 LYS A N 229 C CA . LYS A 35 ? 0.2684 0.5026 0.3817 -0.0559 -0.0054 0.0610 34 LYS A CA 230 C C . LYS A 35 ? 0.2637 0.4771 0.3689 -0.0612 -0.0057 0.0570 34 LYS A C 231 O O . LYS A 35 ? 0.2595 0.4550 0.3574 -0.0659 -0.0090 0.0524 34 LYS A O 232 C CB . LYS A 35 ? 0.2998 0.5531 0.4202 -0.0667 -0.0091 0.0679 34 LYS A CB 233 C CG . LYS A 35 ? 0.3357 0.6000 0.4599 -0.0688 -0.0133 0.0698 34 LYS A CG 234 C CD . LYS A 35 ? 0.3706 0.6525 0.5010 -0.0815 -0.0178 0.0767 34 LYS A CD 235 C CE . LYS A 35 ? 0.4241 0.7070 0.5536 -0.0873 -0.0239 0.0763 34 LYS A CE 236 N NZ . LYS A 35 ? 0.4532 0.7563 0.5896 -0.0997 -0.0287 0.0838 34 LYS A NZ 237 N N . LYS A 36 ? 0.2676 0.4834 0.3738 -0.0598 -0.0020 0.0589 35 LYS A N 238 C CA . LYS A 36 ? 0.3004 0.4996 0.3997 -0.0658 -0.0024 0.0567 35 LYS A CA 239 C C . LYS A 36 ? 0.2935 0.4884 0.3910 -0.0574 0.0030 0.0553 35 LYS A C 240 O O . LYS A 36 ? 0.3020 0.5125 0.4053 -0.0512 0.0068 0.0591 35 LYS A O 241 C CB . LYS A 36 ? 0.3460 0.5552 0.4484 -0.0781 -0.0051 0.0626 35 LYS A CB 242 C CG . LYS A 36 ? 0.3957 0.5862 0.4895 -0.0861 -0.0067 0.0606 35 LYS A CG 243 C CD . LYS A 36 ? 0.4572 0.6582 0.5538 -0.0989 -0.0097 0.0671 35 LYS A CD 244 C CE . LYS A 36 ? 0.5138 0.6973 0.6017 -0.1061 -0.0103 0.0661 35 LYS A CE 245 N NZ . LYS A 36 ? 0.5540 0.7115 0.6299 -0.1088 -0.0137 0.0597 35 LYS A NZ 246 N N . THR A 37 ? 0.2834 0.4573 0.3725 -0.0568 0.0033 0.0500 36 THR A N 247 C CA . THR A 37 ? 0.2908 0.4593 0.3773 -0.0508 0.0077 0.0488 36 THR A CA 248 C C . THR A 37 ? 0.3188 0.4733 0.3989 -0.0584 0.0064 0.0479 36 THR A C 249 O O . THR A 37 ? 0.3170 0.4579 0.3914 -0.0647 0.0027 0.0453 36 THR A O 250 C CB . THR A 37 ? 0.2799 0.4363 0.3618 -0.0406 0.0098 0.0429 36 THR A CB 251 O OG1 . THR A 37 ? 0.2517 0.3897 0.3268 -0.0434 0.0068 0.0376 36 THR A OG1 252 C CG2 . THR A 37 ? 0.2747 0.4425 0.3612 -0.0330 0.0109 0.0436 36 THR A CG2 253 N N . GLU A 38 ? 0.3493 0.5060 0.4293 -0.0572 0.0097 0.0502 37 GLU A N 254 C CA . GLU A 38 ? 0.3992 0.5422 0.4725 -0.0635 0.0089 0.0496 37 GLU A CA 255 C C . GLU A 38 ? 0.3695 0.4920 0.4344 -0.0583 0.0096 0.0432 37 GLU A C 256 O O . GLU A 38 ? 0.3724 0.4800 0.4301 -0.0631 0.0081 0.0416 37 GLU A O 257 C CB . GLU A 38 ? 0.4545 0.6084 0.5309 -0.0645 0.0122 0.0550 37 GLU A CB 258 C CG . GLU A 38 ? 0.5427 0.7190 0.6280 -0.0705 0.0115 0.0623 37 GLU A CG 259 C CD . GLU A 38 ? 0.6455 0.8194 0.7297 -0.0833 0.0058 0.0640 37 GLU A CD 260 O OE1 . GLU A 38 ? 0.7558 0.9110 0.8312 -0.0896 0.0034 0.0615 37 GLU A OE1 261 O OE2 . GLU A 38 ? 0.7234 0.9138 0.8149 -0.0868 0.0037 0.0678 37 GLU A OE2 262 N N . SER A 39 ? 0.3282 0.4497 0.3934 -0.0486 0.0119 0.0398 38 SER A N 263 C CA . SER A 39 ? 0.3224 0.4268 0.3807 -0.0439 0.0123 0.0342 38 SER A CA 264 C C . SER A 39 ? 0.2773 0.3799 0.3361 -0.0376 0.0120 0.0303 38 SER A C 265 O O . SER A 39 ? 0.2644 0.3784 0.3285 -0.0364 0.0116 0.0320 38 SER A O 266 C CB . SER A 39 ? 0.3613 0.4644 0.4175 -0.0385 0.0161 0.0342 38 SER A CB 267 O OG . SER A 39 ? 0.4240 0.5403 0.4850 -0.0317 0.0192 0.0361 38 SER A OG 268 N N . TYR A 40 ? 0.2444 0.3333 0.2977 -0.0336 0.0122 0.0256 39 TYR A N 269 C CA . TYR A 40 ? 0.2347 0.3207 0.2878 -0.0277 0.0121 0.0220 39 TYR A CA 270 C C . TYR A 40 ? 0.2440 0.3377 0.2992 -0.0197 0.0154 0.0225 39 TYR A C 271 O O . TYR A 40 ? 0.2540 0.3502 0.3086 -0.0175 0.0180 0.0241 39 TYR A O 272 C CB . TYR A 40 ? 0.2337 0.3038 0.2804 -0.0263 0.0113 0.0174 39 TYR A CB 273 C CG . TYR A 40 ? 0.2252 0.2862 0.2684 -0.0322 0.0081 0.0162 39 TYR A CG 274 C CD1 . TYR A 40 ? 0.2551 0.3096 0.2942 -0.0378 0.0072 0.0173 39 TYR A CD1 275 C CD2 . TYR A 40 ? 0.2179 0.2759 0.2607 -0.0318 0.0062 0.0139 39 TYR A CD2 276 C CE1 . TYR A 40 ? 0.2494 0.2936 0.2833 -0.0427 0.0043 0.0161 39 TYR A CE1 277 C CE2 . TYR A 40 ? 0.2272 0.2762 0.2656 -0.0365 0.0034 0.0127 39 TYR A CE2 278 C CZ . TYR A 40 ? 0.2438 0.2855 0.2773 -0.0419 0.0025 0.0137 39 TYR A CZ 279 O OH . TYR A 40 ? 0.2515 0.2825 0.2787 -0.0463 -0.0002 0.0125 39 TYR A OH 280 N N . PHE A 41 ? 0.2188 0.3159 0.2758 -0.0154 0.0153 0.0215 40 PHE A N 281 C CA . PHE A 41 ? 0.2239 0.3247 0.2805 -0.0070 0.0182 0.0213 40 PHE A CA 282 C C . PHE A 41 ? 0.2227 0.3134 0.2756 -0.0034 0.0172 0.0169 40 PHE A C 283 O O . PHE A 41 ? 0.2070 0.2924 0.2596 -0.0069 0.0145 0.0151 40 PHE A O 284 C CB . PHE A 41 ? 0.2282 0.3455 0.2906 -0.0046 0.0196 0.0257 40 PHE A CB 285 C CG . PHE A 41 ? 0.2375 0.3597 0.3034 -0.0063 0.0171 0.0261 40 PHE A CG 286 C CD1 . PHE A 41 ? 0.2489 0.3756 0.3184 -0.0146 0.0140 0.0281 40 PHE A CD1 287 C CD2 . PHE A 41 ? 0.2499 0.3716 0.3147 0.0003 0.0177 0.0246 40 PHE A CD2 288 C CE1 . PHE A 41 ? 0.2502 0.3814 0.3225 -0.0162 0.0114 0.0285 40 PHE A CE1 289 C CE2 . PHE A 41 ? 0.2545 0.3807 0.3222 -0.0009 0.0154 0.0251 40 PHE A CE2 290 C CZ . PHE A 41 ? 0.2608 0.3920 0.3324 -0.0091 0.0122 0.0270 40 PHE A CZ 291 N N . THR A 42 ? 0.2038 0.2910 0.2529 0.0034 0.0192 0.0153 41 THR A N 292 C CA . THR A 42 ? 0.2069 0.2841 0.2519 0.0064 0.0182 0.0114 41 THR A CA 293 C C . THR A 42 ? 0.2047 0.2873 0.2521 0.0085 0.0176 0.0122 41 THR A C 294 O O . THR A 42 ? 0.2082 0.2994 0.2568 0.0134 0.0196 0.0147 41 THR A O 295 C CB . THR A 42 ? 0.2216 0.2919 0.2602 0.0124 0.0203 0.0096 41 THR A CB 296 O OG1 . THR A 42 ? 0.2261 0.2918 0.2626 0.0102 0.0205 0.0089 41 THR A OG1 297 C CG2 . THR A 42 ? 0.2244 0.2841 0.2583 0.0145 0.0189 0.0059 41 THR A CG2 298 N N . ILE A 43 ? 0.1958 0.2735 0.2435 0.0052 0.0150 0.0103 42 ILE A N 299 C CA . ILE A 43 ? 0.2048 0.2863 0.2541 0.0069 0.0140 0.0107 42 ILE A CA 300 C C . ILE A 43 ? 0.2019 0.2732 0.2457 0.0115 0.0142 0.0076 42 ILE A C 301 O O . ILE A 43 ? 0.2157 0.2892 0.2590 0.0154 0.0144 0.0081 42 ILE A O 302 C CB . ILE A 43 ? 0.2175 0.3015 0.2704 0.0003 0.0110 0.0113 42 ILE A CB 303 C CG1 . ILE A 43 ? 0.2376 0.3301 0.2936 0.0021 0.0102 0.0132 42 ILE A CG1 304 C CG2 . ILE A 43 ? 0.2096 0.2810 0.2589 -0.0029 0.0091 0.0077 42 ILE A CG2 305 C CD1 . ILE A 43 ? 0.2670 0.3645 0.3266 -0.0046 0.0070 0.0146 42 ILE A CD1 306 N N . TRP A 44 ? 0.1941 0.2544 0.2333 0.0110 0.0140 0.0046 43 TRP A N 307 C CA . TRP A 44 ? 0.1871 0.2374 0.2202 0.0147 0.0141 0.0019 43 TRP A CA 308 C C . TRP A 44 ? 0.1901 0.2333 0.2187 0.0152 0.0149 0.0003 43 TRP A C 309 O O . TRP A 44 ? 0.1662 0.2077 0.1961 0.0110 0.0140 -0.0002 43 TRP A O 310 C CB . TRP A 44 ? 0.1874 0.2313 0.2201 0.0115 0.0118 -0.0001 43 TRP A CB 311 C CG . TRP A 44 ? 0.1829 0.2170 0.2096 0.0141 0.0117 -0.0023 43 TRP A CG 312 C CD1 . TRP A 44 ? 0.1951 0.2205 0.2181 0.0123 0.0110 -0.0045 43 TRP A CD1 313 C CD2 . TRP A 44 ? 0.1917 0.2235 0.2147 0.0186 0.0123 -0.0022 43 TRP A CD2 314 N NE1 . TRP A 44 ? 0.1969 0.2146 0.2142 0.0147 0.0107 -0.0058 43 TRP A NE1 315 C CE2 . TRP A 44 ? 0.1942 0.2147 0.2108 0.0187 0.0116 -0.0045 43 TRP A CE2 316 C CE3 . TRP A 44 ? 0.1992 0.2377 0.2235 0.0227 0.0132 -0.0001 43 TRP A CE3 317 C CZ2 . TRP A 44 ? 0.2075 0.2213 0.2180 0.0225 0.0118 -0.0050 43 TRP A CZ2 318 C CZ3 . TRP A 44 ? 0.2075 0.2398 0.2259 0.0274 0.0136 -0.0005 43 TRP A CZ3 319 C CH2 . TRP A 44 ? 0.2203 0.2395 0.2314 0.0271 0.0130 -0.0031 43 TRP A CH2 320 N N . LEU A 45 ? 0.1970 0.2352 0.2194 0.0202 0.0164 -0.0003 44 LEU A N 321 C CA . LEU A 45 ? 0.2285 0.2666 0.2471 0.0263 0.0178 0.0003 44 LEU A CA 322 C C . LEU A 45 ? 0.2425 0.2883 0.2611 0.0312 0.0207 0.0029 44 LEU A C 323 O O . LEU A 45 ? 0.2472 0.2904 0.2624 0.0322 0.0219 0.0026 44 LEU A O 324 C CB . LEU A 45 ? 0.2428 0.2671 0.2521 0.0285 0.0173 -0.0024 44 LEU A CB 325 C CG . LEU A 45 ? 0.2632 0.2829 0.2649 0.0359 0.0190 -0.0021 44 LEU A CG 326 C CD1 . LEU A 45 ? 0.2750 0.3001 0.2803 0.0374 0.0187 -0.0007 44 LEU A CD1 327 C CD2 . LEU A 45 ? 0.2982 0.3020 0.2895 0.0360 0.0177 -0.0051 44 LEU A CD2 328 N N . ASN A 46 ? 0.2676 0.3242 0.2903 0.0343 0.0219 0.0060 45 ASN A N 329 C CA . ASN A 46 ? 0.3116 0.3771 0.3341 0.0402 0.0251 0.0091 45 ASN A CA 330 C C . ASN A 46 ? 0.3378 0.4062 0.3582 0.0471 0.0264 0.0107 45 ASN A C 331 O O . ASN A 46 ? 0.2992 0.3764 0.3259 0.0457 0.0253 0.0125 45 ASN A O 332 C CB . ASN A 46 ? 0.3481 0.4287 0.3800 0.0362 0.0256 0.0128 45 ASN A CB 333 C CG . ASN A 46 ? 0.3680 0.4605 0.4006 0.0428 0.0293 0.0169 45 ASN A CG 334 O OD1 . ASN A 46 ? 0.3961 0.4863 0.4225 0.0512 0.0316 0.0172 45 ASN A OD1 335 N ND2 . ASN A 46 ? 0.3930 0.4977 0.4326 0.0390 0.0299 0.0203 45 ASN A ND2 336 N N . LEU A 47 ? 0.3863 0.4460 0.3967 0.0548 0.0286 0.0098 46 LEU A N 337 C CA . LEU A 47 ? 0.4348 0.4926 0.4397 0.0626 0.0299 0.0106 46 LEU A CA 338 C C . LEU A 47 ? 0.3992 0.4758 0.4113 0.0673 0.0321 0.0157 46 LEU A C 339 O O . LEU A 47 ? 0.4083 0.4883 0.4206 0.0712 0.0321 0.0172 46 LEU A O 340 C CB . LEU A 47 ? 0.4946 0.5376 0.4854 0.0701 0.0320 0.0087 46 LEU A CB 341 C CG . LEU A 47 ? 0.5279 0.5517 0.5101 0.0658 0.0294 0.0039 46 LEU A CG 342 C CD1 . LEU A 47 ? 0.5718 0.5817 0.5392 0.0730 0.0314 0.0024 46 LEU A CD1 343 C CD2 . LEU A 47 ? 0.5480 0.5646 0.5295 0.0628 0.0267 0.0021 46 LEU A CD2 344 N N . GLU A 48 ? 0.4101 0.4998 0.4284 0.0665 0.0339 0.0188 47 GLU A N 345 C CA . GLU A 48 ? 0.4346 0.5445 0.4603 0.0706 0.0361 0.0245 47 GLU A CA 346 C C . GLU A 48 ? 0.4013 0.5236 0.4381 0.0639 0.0330 0.0265 47 GLU A C 347 O O . GLU A 48 ? 0.3580 0.4963 0.4004 0.0675 0.0340 0.0311 47 GLU A O 348 C CB . GLU A 48 ? 0.4848 0.6057 0.5144 0.0705 0.0387 0.0276 47 GLU A CB 349 C CG . GLU A 48 ? 0.5631 0.6736 0.5807 0.0792 0.0423 0.0264 47 GLU A CG 350 C CD . GLU A 48 ? 0.6473 0.7685 0.6679 0.0798 0.0452 0.0297 47 GLU A CD 351 O OE1 . GLU A 48 ? 0.7172 0.8477 0.7474 0.0710 0.0437 0.0312 47 GLU A OE1 352 O OE2 . GLU A 48 ? 0.7549 0.8745 0.7674 0.0894 0.0492 0.0307 47 GLU A OE2 353 N N . LEU A 49 ? 0.3504 0.4653 0.3896 0.0547 0.0292 0.0233 48 LEU A N 354 C CA . LEU A 49 ? 0.3270 0.4510 0.3749 0.0481 0.0260 0.0247 48 LEU A CA 355 C C . LEU A 49 ? 0.3154 0.4343 0.3601 0.0514 0.0247 0.0235 48 LEU A C 356 O O . LEU A 49 ? 0.2841 0.4112 0.3350 0.0474 0.0221 0.0250 48 LEU A O 357 C CB . LEU A 49 ? 0.3076 0.4252 0.3582 0.0375 0.0228 0.0219 48 LEU A CB 358 C CG . LEU A 49 ? 0.3051 0.4251 0.3579 0.0333 0.0236 0.0227 48 LEU A CG 359 C CD1 . LEU A 49 ? 0.3029 0.4149 0.3570 0.0239 0.0204 0.0198 48 LEU A CD1 360 C CD2 . LEU A 49 ? 0.3208 0.4607 0.3816 0.0327 0.0250 0.0285 48 LEU A CD2 361 N N . LEU A 50 ? 0.3301 0.4347 0.3644 0.0583 0.0262 0.0209 49 LEU A N 362 C CA . LEU A 50 ? 0.3545 0.4507 0.3838 0.0613 0.0250 0.0193 49 LEU A CA 363 C C . LEU A 50 ? 0.3725 0.4744 0.3981 0.0723 0.0278 0.0226 49 LEU A C 364 O O . LEU A 50 ? 0.4104 0.5053 0.4310 0.0759 0.0272 0.0217 49 LEU A O 365 C CB . LEU A 50 ? 0.3777 0.4522 0.3970 0.0603 0.0242 0.0142 49 LEU A CB 366 C CG . LEU A 50 ? 0.3790 0.4478 0.4011 0.0507 0.0219 0.0112 49 LEU A CG 367 C CD1 . LEU A 50 ? 0.3888 0.4383 0.4013 0.0500 0.0212 0.0069 49 LEU A CD1 368 C CD2 . LEU A 50 ? 0.3621 0.4372 0.3924 0.0432 0.0188 0.0115 49 LEU A CD2 369 N N . LEU A 51 ? 0.3951 0.5104 0.4233 0.0779 0.0310 0.0266 50 LEU A N 370 C CA . LEU A 51 ? 0.4012 0.5238 0.4260 0.0896 0.0341 0.0303 50 LEU A CA 371 C C . LEU A 51 ? 0.3952 0.5336 0.4287 0.0889 0.0322 0.0340 50 LEU A C 372 O O . LEU A 51 ? 0.3470 0.4949 0.3906 0.0791 0.0289 0.0346 50 LEU A O 373 C CB . LEU A 51 ? 0.4421 0.5774 0.4686 0.0952 0.0381 0.0342 50 LEU A CB 374 C CG . LEU A 51 ? 0.4770 0.5973 0.4936 0.0976 0.0405 0.0311 50 LEU A CG 375 C CD1 . LEU A 51 ? 0.4805 0.6164 0.5020 0.0999 0.0438 0.0353 50 LEU A CD1 376 C CD2 . LEU A 51 ? 0.5130 0.6145 0.5133 0.1081 0.0427 0.0287 50 LEU A CD2 377 N N . PRO A 52 ? 0.3792 0.5203 0.4080 0.0993 0.0342 0.0365 51 PRO A N 378 C CA . PRO A 52 ? 0.3816 0.5394 0.4189 0.0992 0.0323 0.0404 51 PRO A CA 379 C C . PRO A 52 ? 0.3442 0.5276 0.3965 0.0927 0.0312 0.0455 51 PRO A C 380 O O . PRO A 52 ? 0.3247 0.5173 0.3797 0.0941 0.0339 0.0480 51 PRO A O 381 C CB . PRO A 52 ? 0.4049 0.5648 0.4346 0.1139 0.0361 0.0436 51 PRO A CB 382 C CG . PRO A 52 ? 0.4143 0.5490 0.4280 0.1198 0.0385 0.0390 51 PRO A CG 383 C CD . PRO A 52 ? 0.4131 0.5413 0.4279 0.1119 0.0381 0.0359 51 PRO A CD 384 N N . VAL A 53 ? 0.3321 0.5255 0.3928 0.0853 0.0270 0.0468 52 VAL A N 385 C CA . VAL A 53 ? 0.3200 0.5361 0.3943 0.0768 0.0247 0.0514 52 VAL A CA 386 C C . VAL A 53 ? 0.3005 0.5115 0.3782 0.0649 0.0227 0.0487 52 VAL A C 387 O O . VAL A 53 ? 0.2739 0.4870 0.3571 0.0543 0.0184 0.0480 52 VAL A O 388 C CB . VAL A 53 ? 0.3387 0.5790 0.4193 0.0842 0.0282 0.0587 52 VAL A CB 389 C CG1 . VAL A 53 ? 0.3345 0.5989 0.4292 0.0742 0.0249 0.0639 52 VAL A CG1 390 C CG2 . VAL A 53 ? 0.3546 0.5995 0.4308 0.0973 0.0304 0.0615 52 VAL A CG2 391 N N . ILE A 54 ? 0.2967 0.5002 0.3701 0.0671 0.0259 0.0471 53 ILE A N 392 C CA . ILE A 54 ? 0.3095 0.5057 0.3844 0.0572 0.0245 0.0443 53 ILE A CA 393 C C . ILE A 54 ? 0.2941 0.4711 0.3647 0.0501 0.0208 0.0383 53 ILE A C 394 O O . ILE A 54 ? 0.2733 0.4483 0.3475 0.0399 0.0179 0.0368 53 ILE A O 395 C CB . ILE A 54 ? 0.3457 0.5345 0.4144 0.0626 0.0288 0.0432 53 ILE A CB 396 C CG1 . ILE A 54 ? 0.3867 0.5963 0.4601 0.0698 0.0328 0.0498 53 ILE A CG1 397 C CG2 . ILE A 54 ? 0.3526 0.5337 0.4224 0.0530 0.0274 0.0404 53 ILE A CG2 398 C CD1 . ILE A 54 ? 0.4244 0.6265 0.4890 0.0793 0.0378 0.0492 53 ILE A CD1 399 N N . ILE A 55 ? 0.2853 0.4483 0.3478 0.0557 0.0210 0.0351 54 ILE A N 400 C CA . ILE A 55 ? 0.2834 0.4294 0.3418 0.0498 0.0180 0.0299 54 ILE A CA 401 C C . ILE A 55 ? 0.2578 0.4112 0.3232 0.0410 0.0136 0.0307 54 ILE A C 402 O O . ILE A 55 ? 0.2243 0.3666 0.2884 0.0338 0.0110 0.0270 54 ILE A O 403 C CB . ILE A 55 ? 0.3158 0.4462 0.3642 0.0570 0.0189 0.0270 54 ILE A CB 404 C CG1 . ILE A 55 ? 0.3476 0.4602 0.3918 0.0504 0.0163 0.0217 54 ILE A CG1 405 C CG2 . ILE A 55 ? 0.3296 0.4693 0.3793 0.0624 0.0184 0.0301 54 ILE A CG2 406 C CD1 . ILE A 55 ? 0.3840 0.4777 0.4169 0.0557 0.0177 0.0182 54 ILE A CD1 407 N N . ASP A 56 ? 0.2411 0.4134 0.3136 0.0416 0.0126 0.0356 55 ASP A N 408 C CA . ASP A 56 ? 0.2417 0.4207 0.3199 0.0324 0.0080 0.0365 55 ASP A CA 409 C C . ASP A 56 ? 0.2125 0.3922 0.2947 0.0217 0.0060 0.0361 55 ASP A C 410 O O . ASP A 56 ? 0.2005 0.3742 0.2826 0.0133 0.0022 0.0339 55 ASP A O 411 C CB . ASP A 56 ? 0.2678 0.4689 0.3532 0.0346 0.0070 0.0425 55 ASP A CB 412 C CG . ASP A 56 ? 0.2983 0.4987 0.3793 0.0452 0.0085 0.0432 55 ASP A CG 413 O OD1 . ASP A 56 ? 0.3185 0.5016 0.3921 0.0467 0.0079 0.0388 55 ASP A OD1 414 O OD2 . ASP A 56 ? 0.3015 0.5196 0.3868 0.0518 0.0101 0.0486 55 ASP A OD2 415 N N . CYS A 57 ? 0.2087 0.3958 0.2938 0.0223 0.0086 0.0385 56 CYS A N 416 C CA . CYS A 57 ? 0.2238 0.4097 0.3113 0.0129 0.0073 0.0382 56 CYS A CA 417 C C . CYS A 57 ? 0.2158 0.3795 0.2960 0.0100 0.0068 0.0319 56 CYS A C 418 O O . CYS A 57 ? 0.2094 0.3670 0.2894 0.0014 0.0039 0.0302 56 CYS A O 419 C CB . CYS A 57 ? 0.2409 0.4367 0.3313 0.0156 0.0109 0.0416 56 CYS A CB 420 S SG . CYS A 57 ? 0.3004 0.5238 0.3991 0.0217 0.0131 0.0496 56 CYS A SG 421 N N . TRP A 58 ? 0.2024 0.3543 0.2762 0.0175 0.0097 0.0289 57 TRP A N 422 C CA . TRP A 58 ? 0.2113 0.3439 0.2785 0.0156 0.0095 0.0235 57 TRP A CA 423 C C . TRP A 58 ? 0.2120 0.3361 0.2773 0.0112 0.0061 0.0207 57 TRP A C 424 O O . TRP A 58 ? 0.2065 0.3217 0.2702 0.0048 0.0043 0.0181 57 TRP A O 425 C CB . TRP A 58 ? 0.2159 0.3387 0.2762 0.0243 0.0128 0.0213 57 TRP A CB 426 C CG . TRP A 58 ? 0.2127 0.3175 0.2666 0.0226 0.0125 0.0164 57 TRP A CG 427 C CD1 . TRP A 58 ? 0.2167 0.3154 0.2691 0.0199 0.0133 0.0148 57 TRP A CD1 428 C CD2 . TRP A 58 ? 0.2272 0.3189 0.2755 0.0238 0.0116 0.0129 57 TRP A CD2 429 N NE1 . TRP A 58 ? 0.2134 0.2970 0.2602 0.0191 0.0126 0.0106 57 TRP A NE1 430 C CE2 . TRP A 58 ? 0.2224 0.3016 0.2666 0.0213 0.0117 0.0095 57 TRP A CE2 431 C CE3 . TRP A 58 ? 0.2305 0.3204 0.2768 0.0266 0.0106 0.0127 57 TRP A CE3 432 C CZ2 . TRP A 58 ? 0.2516 0.3175 0.2905 0.0211 0.0108 0.0061 57 TRP A CZ2 433 C CZ3 . TRP A 58 ? 0.2597 0.3354 0.3002 0.0264 0.0099 0.0092 57 TRP A CZ3 434 C CH2 . TRP A 58 ? 0.2645 0.3287 0.3015 0.0235 0.0100 0.0061 57 TRP A CH2 435 N N . ILE A 59 ? 0.2156 0.3424 0.2804 0.0150 0.0054 0.0213 58 ILE A N 436 C CA . ILE A 59 ? 0.2234 0.3431 0.2862 0.0114 0.0023 0.0191 58 ILE A CA 437 C C . ILE A 59 ? 0.2251 0.3495 0.2916 0.0019 -0.0013 0.0200 58 ILE A C 438 O O . ILE A 59 ? 0.2177 0.3309 0.2807 -0.0029 -0.0033 0.0169 58 ILE A O 439 C CB . ILE A 59 ? 0.2331 0.3576 0.2954 0.0172 0.0020 0.0206 58 ILE A CB 440 C CG1 . ILE A 59 ? 0.2486 0.3629 0.3042 0.0259 0.0052 0.0188 58 ILE A CG1 441 C CG2 . ILE A 59 ? 0.2340 0.3541 0.2950 0.0125 -0.0015 0.0191 58 ILE A CG2 442 C CD1 . ILE A 59 ? 0.2654 0.3830 0.3190 0.0332 0.0058 0.0206 58 ILE A CD1 443 N N . ASP A 60 ? 0.2142 0.3547 0.2871 -0.0005 -0.0021 0.0244 59 ASP A N 444 C CA . ASP A 60 ? 0.2170 0.3615 0.2924 -0.0104 -0.0060 0.0257 59 ASP A CA 445 C C . ASP A 60 ? 0.2129 0.3461 0.2852 -0.0164 -0.0063 0.0231 59 ASP A C 446 O O . ASP A 60 ? 0.2255 0.3533 0.2956 -0.0240 -0.0097 0.0221 59 ASP A O 447 C CB . ASP A 60 ? 0.2226 0.3882 0.3060 -0.0127 -0.0069 0.0317 59 ASP A CB 448 C CG . ASP A 60 ? 0.2410 0.4109 0.3259 -0.0231 -0.0121 0.0332 59 ASP A CG 449 O OD1 . ASP A 60 ? 0.2575 0.4210 0.3388 -0.0246 -0.0150 0.0311 59 ASP A OD1 450 O OD2 . ASP A 60 ? 0.2561 0.4348 0.3449 -0.0301 -0.0135 0.0365 59 ASP A OD2 451 N N . ASN A 61 ? 0.1876 0.3161 0.2587 -0.0128 -0.0028 0.0220 60 ASN A N 452 C CA . ASN A 61 ? 0.1928 0.3108 0.2608 -0.0174 -0.0027 0.0198 60 ASN A CA 453 C C . ASN A 61 ? 0.1924 0.2928 0.2537 -0.0157 -0.0022 0.0148 60 ASN A C 454 O O . ASN A 61 ? 0.1856 0.2763 0.2433 -0.0205 -0.0035 0.0128 60 ASN A O 455 C CB . ASN A 61 ? 0.1917 0.3148 0.2619 -0.0149 0.0006 0.0217 60 ASN A CB 456 C CG . ASN A 61 ? 0.1946 0.3349 0.2715 -0.0187 0.0001 0.0272 60 ASN A CG 457 O OD1 . ASN A 61 ? 0.1985 0.3430 0.2771 -0.0265 -0.0034 0.0289 60 ASN A OD1 458 N ND2 . ASN A 61 ? 0.1927 0.3430 0.2729 -0.0135 0.0036 0.0300 60 ASN A ND2 459 N N . ILE A 62 ? 0.1862 0.2828 0.2455 -0.0088 -0.0003 0.0131 61 ILE A N 460 C CA . ILE A 62 ? 0.2063 0.2879 0.2599 -0.0072 0.0003 0.0089 61 ILE A CA 461 C C . ILE A 62 ? 0.2056 0.2806 0.2561 -0.0080 -0.0017 0.0069 61 ILE A C 462 O O . ILE A 62 ? 0.1986 0.2624 0.2449 -0.0080 -0.0015 0.0039 61 ILE A O 463 C CB . ILE A 62 ? 0.2166 0.2951 0.2682 -0.0001 0.0034 0.0080 61 ILE A CB 464 C CG1 . ILE A 62 ? 0.2383 0.3038 0.2853 -0.0005 0.0041 0.0045 61 ILE A CG1 465 C CG2 . ILE A 62 ? 0.2211 0.3008 0.2715 0.0051 0.0037 0.0082 61 ILE A CG2 466 C CD1 . ILE A 62 ? 0.2636 0.3252 0.3077 0.0047 0.0067 0.0037 61 ILE A CD1 467 N N . ARG A 63 ? 0.2119 0.2946 0.2646 -0.0087 -0.0037 0.0088 62 ARG A N 468 C CA . ARG A 63 ? 0.2244 0.3013 0.2738 -0.0101 -0.0059 0.0071 62 ARG A CA 469 C C . ARG A 63 ? 0.2225 0.2910 0.2683 -0.0164 -0.0079 0.0054 62 ARG A C 470 O O . ARG A 63 ? 0.2179 0.2882 0.2647 -0.0210 -0.0087 0.0064 62 ARG A O 471 C CB . ARG A 63 ? 0.2447 0.3324 0.2970 -0.0102 -0.0081 0.0099 62 ARG A CB 472 C CG . ARG A 63 ? 0.2585 0.3553 0.3142 -0.0172 -0.0111 0.0126 62 ARG A CG 473 C CD . ARG A 63 ? 0.2897 0.4010 0.3499 -0.0166 -0.0129 0.0162 62 ARG A CD 474 N NE . ARG A 63 ? 0.3133 0.4350 0.3774 -0.0240 -0.0158 0.0195 62 ARG A NE 475 C CZ . ARG A 63 ? 0.3432 0.4624 0.4046 -0.0316 -0.0201 0.0193 62 ARG A CZ 476 N NH1 . ARG A 63 ? 0.3512 0.4585 0.4060 -0.0322 -0.0218 0.0161 62 ARG A NH1 477 N NH2 . ARG A 63 ? 0.3667 0.4957 0.4315 -0.0389 -0.0228 0.0227 62 ARG A NH2 478 N N . LEU A 64 ? 0.2258 0.2843 0.2666 -0.0162 -0.0086 0.0028 63 LEU A N 479 C CA . LEU A 64 ? 0.2230 0.2729 0.2587 -0.0210 -0.0107 0.0012 63 LEU A CA 480 C C . LEU A 64 ? 0.2262 0.2784 0.2602 -0.0239 -0.0141 0.0019 63 LEU A C 481 O O . LEU A 64 ? 0.2252 0.2821 0.2607 -0.0207 -0.0143 0.0026 63 LEU A O 482 C CB . LEU A 64 ? 0.2352 0.2733 0.2659 -0.0185 -0.0090 -0.0017 63 LEU A CB 483 C CG . LEU A 64 ? 0.2385 0.2727 0.2696 -0.0164 -0.0063 -0.0027 63 LEU A CG 484 C CD1 . LEU A 64 ? 0.2424 0.2675 0.2692 -0.0141 -0.0050 -0.0049 63 LEU A CD1 485 C CD2 . LEU A 64 ? 0.2574 0.2901 0.2877 -0.0205 -0.0067 -0.0022 63 LEU A CD2 486 N N . VAL A 65 ? 0.2366 0.2853 0.2669 -0.0300 -0.0170 0.0019 64 VAL A N 487 C CA . VAL A 65 ? 0.2521 0.3004 0.2788 -0.0337 -0.0208 0.0022 64 VAL A CA 488 C C . VAL A 65 ? 0.2561 0.2896 0.2738 -0.0331 -0.0209 -0.0010 64 VAL A C 489 O O . VAL A 65 ? 0.2595 0.2829 0.2722 -0.0343 -0.0201 -0.0026 64 VAL A O 490 C CB . VAL A 65 ? 0.2728 0.3245 0.2992 -0.0418 -0.0243 0.0042 64 VAL A CB 491 C CG1 . VAL A 65 ? 0.2958 0.3454 0.3168 -0.0466 -0.0289 0.0043 64 VAL A CG1 492 C CG2 . VAL A 65 ? 0.2840 0.3523 0.3198 -0.0424 -0.0239 0.0081 64 VAL A CG2 493 N N . TYR A 66 ? 0.2554 0.2875 0.2705 -0.0307 -0.0217 -0.0017 65 TYR A N 494 C CA . TYR A 66 ? 0.2678 0.2867 0.2741 -0.0296 -0.0216 -0.0044 65 TYR A CA 495 C C . TYR A 66 ? 0.2936 0.3068 0.2920 -0.0355 -0.0260 -0.0047 65 TYR A C 496 O O . TYR A 66 ? 0.2823 0.3025 0.2819 -0.0379 -0.0291 -0.0032 65 TYR A O 497 C CB . TYR A 66 ? 0.2651 0.2841 0.2716 -0.0238 -0.0198 -0.0050 65 TYR A CB 498 C CG . TYR A 66 ? 0.2668 0.2734 0.2650 -0.0218 -0.0186 -0.0074 65 TYR A CG 499 C CD1 . TYR A 66 ? 0.2692 0.2705 0.2670 -0.0186 -0.0151 -0.0086 65 TYR A CD1 500 C CD2 . TYR A 66 ? 0.2770 0.2774 0.2673 -0.0230 -0.0210 -0.0083 65 TYR A CD2 501 C CE1 . TYR A 66 ? 0.2739 0.2655 0.2645 -0.0162 -0.0137 -0.0102 65 TYR A CE1 502 C CE2 . TYR A 66 ? 0.2892 0.2784 0.2713 -0.0203 -0.0194 -0.0102 65 TYR A CE2 503 C CZ . TYR A 66 ? 0.2862 0.2718 0.2689 -0.0167 -0.0156 -0.0110 65 TYR A CZ 504 O OH . TYR A 66 ? 0.3196 0.2957 0.2945 -0.0135 -0.0138 -0.0123 65 TYR A OH 505 N N . ASN A 67 ? 0.3042 0.3043 0.2938 -0.0375 -0.0263 -0.0066 66 ASN A N 506 C CA . ASN A 67 ? 0.3442 0.3352 0.3236 -0.0432 -0.0305 -0.0073 66 ASN A CA 507 C C . ASN A 67 ? 0.3564 0.3357 0.3259 -0.0393 -0.0300 -0.0098 66 ASN A C 508 O O . ASN A 67 ? 0.3577 0.3276 0.3225 -0.0350 -0.0268 -0.0116 66 ASN A O 509 C CB . ASN A 67 ? 0.3605 0.3429 0.3349 -0.0475 -0.0310 -0.0077 66 ASN A CB 510 C CG . ASN A 67 ? 0.4069 0.3773 0.3688 -0.0542 -0.0357 -0.0085 66 ASN A CG 511 O OD1 . ASN A 67 ? 0.4104 0.3730 0.3636 -0.0536 -0.0374 -0.0100 66 ASN A OD1 512 N ND2 . ASN A 67 ? 0.4458 0.4139 0.4060 -0.0609 -0.0377 -0.0073 66 ASN A ND2 513 N N . LYS A 68 ? 0.3865 0.3678 0.3536 -0.0403 -0.0328 -0.0095 67 LYS A N 514 C CA . LYS A 68 ? 0.4150 0.3868 0.3733 -0.0360 -0.0321 -0.0115 67 LYS A CA 515 C C . LYS A 68 ? 0.4430 0.3967 0.3861 -0.0376 -0.0333 -0.0139 67 LYS A C 516 O O . LYS A 68 ? 0.4384 0.3830 0.3740 -0.0324 -0.0309 -0.0156 67 LYS A O 517 C CB . LYS A 68 ? 0.4393 0.4176 0.3979 -0.0370 -0.0353 -0.0105 67 LYS A CB 518 C CG . LYS A 68 ? 0.4570 0.4509 0.4280 -0.0335 -0.0337 -0.0083 67 LYS A CG 519 C CD . LYS A 68 ? 0.5027 0.5023 0.4728 -0.0346 -0.0373 -0.0071 67 LYS A CD 520 C CE . LYS A 68 ? 0.5233 0.5355 0.5031 -0.0294 -0.0353 -0.0051 67 LYS A CE 521 N NZ . LYS A 68 ? 0.5429 0.5696 0.5338 -0.0307 -0.0354 -0.0023 67 LYS A NZ 522 N N . THR A 69 ? 0.4798 0.4282 0.4179 -0.0446 -0.0368 -0.0138 68 THR A N 523 C CA . THR A 69 ? 0.5355 0.4642 0.4571 -0.0464 -0.0381 -0.0161 68 THR A CA 524 C C . THR A 69 ? 0.5236 0.4441 0.4428 -0.0408 -0.0333 -0.0173 68 THR A C 525 O O . THR A 69 ? 0.5720 0.4798 0.4804 -0.0356 -0.0311 -0.0192 68 THR A O 526 C CB . THR A 69 ? 0.5490 0.4739 0.4658 -0.0564 -0.0435 -0.0152 68 THR A CB 527 O OG1 . THR A 69 ? 0.5674 0.5027 0.4879 -0.0620 -0.0483 -0.0135 68 THR A OG1 528 C CG2 . THR A 69 ? 0.5971 0.4989 0.4942 -0.0583 -0.0453 -0.0178 68 THR A CG2 529 N N . SER A 70 ? 0.5101 0.4387 0.4394 -0.0413 -0.0313 -0.0159 69 SER A N 530 C CA . SER A 70 ? 0.4649 0.3878 0.3932 -0.0361 -0.0268 -0.0166 69 SER A CA 531 C C . SER A 70 ? 0.4296 0.3608 0.3663 -0.0281 -0.0220 -0.0165 69 SER A C 532 O O . SER A 70 ? 0.4133 0.3402 0.3484 -0.0231 -0.0183 -0.0170 69 SER A O 533 C CB . SER A 70 ? 0.4818 0.4093 0.4165 -0.0402 -0.0269 -0.0152 69 SER A CB 534 O OG . SER A 70 ? 0.4833 0.4290 0.4334 -0.0409 -0.0264 -0.0131 69 SER A OG 535 N N . ARG A 71 ? 0.4009 0.3437 0.3460 -0.0271 -0.0221 -0.0156 70 ARG A N 536 C CA . ARG A 71 ? 0.3839 0.3352 0.3377 -0.0209 -0.0179 -0.0150 70 ARG A CA 537 C C . ARG A 71 ? 0.3646 0.3214 0.3267 -0.0198 -0.0151 -0.0142 70 ARG A C 538 O O . ARG A 71 ? 0.3556 0.3119 0.3190 -0.0148 -0.0115 -0.0143 70 ARG A O 539 C CB . ARG A 71 ? 0.4023 0.3458 0.3484 -0.0146 -0.0150 -0.0161 70 ARG A CB 540 C CG . ARG A 71 ? 0.4215 0.3591 0.3586 -0.0149 -0.0174 -0.0170 70 ARG A CG 541 C CD . ARG A 71 ? 0.4039 0.3530 0.3492 -0.0152 -0.0184 -0.0157 70 ARG A CD 542 N NE . ARG A 71 ? 0.3985 0.3542 0.3506 -0.0097 -0.0143 -0.0148 70 ARG A NE 543 C CZ . ARG A 71 ? 0.4047 0.3586 0.3532 -0.0054 -0.0124 -0.0148 70 ARG A CZ 544 N NH1 . ARG A 71 ? 0.4059 0.3515 0.3436 -0.0052 -0.0142 -0.0158 70 ARG A NH1 545 N NH2 . ARG A 71 ? 0.4041 0.3645 0.3594 -0.0015 -0.0088 -0.0136 70 ARG A NH2 546 N N . ALA A 72 ? 0.3568 0.3201 0.3250 -0.0245 -0.0170 -0.0130 71 ALA A N 547 C CA . ALA A 72 ? 0.3358 0.3039 0.3110 -0.0239 -0.0147 -0.0122 71 ALA A CA 548 C C . ALA A 72 ? 0.3277 0.3088 0.3130 -0.0273 -0.0162 -0.0103 71 ALA A C 549 O O . ALA A 72 ? 0.3222 0.3071 0.3077 -0.0315 -0.0195 -0.0094 71 ALA A O 550 C CB . ALA A 72 ? 0.3567 0.3141 0.3241 -0.0261 -0.0151 -0.0129 71 ALA A CB 551 N N . THR A 73 ? 0.3099 0.2980 0.3033 -0.0254 -0.0137 -0.0094 72 THR A N 552 C CA . THR A 73 ? 0.2952 0.2951 0.2973 -0.0278 -0.0145 -0.0074 72 THR A CA 553 C C . THR A 73 ? 0.2940 0.2929 0.2954 -0.0327 -0.0156 -0.0064 72 THR A C 554 O O . THR A 73 ? 0.2862 0.2755 0.2818 -0.0330 -0.0149 -0.0075 72 THR A O 555 C CB . THR A 73 ? 0.2804 0.2880 0.2905 -0.0231 -0.0113 -0.0069 72 THR A CB 556 O OG1 . THR A 73 ? 0.2837 0.2861 0.2927 -0.0207 -0.0087 -0.0078 72 THR A OG1 557 C CG2 . THR A 73 ? 0.2797 0.2891 0.2906 -0.0194 -0.0107 -0.0072 72 THR A CG2 558 N N . GLN A 74 ? 0.2816 0.2911 0.2891 -0.0364 -0.0174 -0.0041 73 GLN A N 559 C CA . GLN A 74 ? 0.2735 0.2847 0.2820 -0.0414 -0.0182 -0.0024 73 GLN A CA 560 C C . GLN A 74 ? 0.2544 0.2814 0.2736 -0.0408 -0.0173 0.0003 73 GLN A C 561 O O . GLN A 74 ? 0.2248 0.2604 0.2490 -0.0374 -0.0168 0.0010 73 GLN A O 562 C CB . GLN A 74 ? 0.3108 0.3165 0.3122 -0.0489 -0.0226 -0.0019 73 GLN A CB 563 C CG . GLN A 74 ? 0.3302 0.3413 0.3319 -0.0510 -0.0259 -0.0012 73 GLN A CG 564 C CD . GLN A 74 ? 0.3499 0.3525 0.3421 -0.0587 -0.0307 -0.0012 73 GLN A CD 565 O OE1 . GLN A 74 ? 0.3650 0.3520 0.3459 -0.0585 -0.0314 -0.0039 73 GLN A OE1 566 N NE2 . GLN A 74 ? 0.3604 0.3734 0.3569 -0.0655 -0.0340 0.0018 73 GLN A NE2 567 N N . PHE A 75 ? 0.2524 0.2826 0.2742 -0.0435 -0.0166 0.0020 74 PHE A N 568 C CA . PHE A 75 ? 0.2417 0.2869 0.2727 -0.0426 -0.0154 0.0050 74 PHE A CA 569 C C . PHE A 75 ? 0.2457 0.3018 0.2799 -0.0482 -0.0190 0.0082 74 PHE A C 570 O O . PHE A 75 ? 0.2482 0.2986 0.2768 -0.0546 -0.0226 0.0081 74 PHE A O 571 C CB . PHE A 75 ? 0.2632 0.3086 0.2957 -0.0435 -0.0134 0.0060 74 PHE A CB 572 C CG . PHE A 75 ? 0.2743 0.3089 0.3030 -0.0391 -0.0106 0.0032 74 PHE A CG 573 C CD1 . PHE A 75 ? 0.2829 0.3146 0.3114 -0.0329 -0.0087 0.0009 74 PHE A CD1 574 C CD2 . PHE A 75 ? 0.2958 0.3235 0.3207 -0.0415 -0.0100 0.0033 74 PHE A CD2 575 C CE1 . PHE A 75 ? 0.2974 0.3207 0.3228 -0.0294 -0.0064 -0.0011 74 PHE A CE1 576 C CE2 . PHE A 75 ? 0.2925 0.3117 0.3142 -0.0372 -0.0076 0.0011 74 PHE A CE2 577 C CZ . PHE A 75 ? 0.3018 0.3195 0.3241 -0.0314 -0.0058 -0.0009 74 PHE A CZ 578 N N . PRO A 76 ? 0.2444 0.3163 0.2873 -0.0458 -0.0180 0.0111 75 PRO A N 579 C CA . PRO A 76 ? 0.2413 0.3265 0.2885 -0.0514 -0.0214 0.0150 75 PRO A CA 580 C C . PRO A 76 ? 0.2471 0.3322 0.2929 -0.0603 -0.0235 0.0173 75 PRO A C 581 O O . PRO A 76 ? 0.2213 0.2998 0.2652 -0.0605 -0.0214 0.0166 75 PRO A O 582 C CB . PRO A 76 ? 0.2396 0.3415 0.2961 -0.0454 -0.0186 0.0180 75 PRO A CB 583 C CG . PRO A 76 ? 0.2367 0.3312 0.2915 -0.0368 -0.0151 0.0148 75 PRO A CG 584 C CD . PRO A 76 ? 0.2326 0.3110 0.2809 -0.0377 -0.0141 0.0113 75 PRO A CD 585 N N . ASP A 77 ? 0.2702 0.3631 0.3170 -0.0679 -0.0279 0.0203 76 ASP A N 586 C CA . ASP A 77 ? 0.2885 0.3815 0.3336 -0.0777 -0.0306 0.0230 76 ASP A CA 587 C C . ASP A 77 ? 0.2642 0.3675 0.3164 -0.0763 -0.0271 0.0260 76 ASP A C 588 O O . ASP A 77 ? 0.2579 0.3784 0.3196 -0.0715 -0.0248 0.0290 76 ASP A O 589 C CB . ASP A 77 ? 0.3535 0.4586 0.4011 -0.0861 -0.0359 0.0269 76 ASP A CB 590 C CG . ASP A 77 ? 0.4483 0.5420 0.4871 -0.0889 -0.0401 0.0240 76 ASP A CG 591 O OD1 . ASP A 77 ? 0.5411 0.6152 0.5701 -0.0861 -0.0393 0.0192 76 ASP A OD1 592 O OD2 . ASP A 77 ? 0.5174 0.6224 0.5589 -0.0935 -0.0443 0.0268 76 ASP A OD2 593 N N . GLY A 78 ? 0.2510 0.3436 0.2980 -0.0805 -0.0267 0.0255 77 GLY A N 594 C CA . GLY A 78 ? 0.2457 0.3463 0.2981 -0.0803 -0.0235 0.0285 77 GLY A CA 595 C C . GLY A 78 ? 0.2379 0.3386 0.2933 -0.0697 -0.0180 0.0266 77 GLY A C 596 O O . GLY A 78 ? 0.2350 0.3450 0.2958 -0.0681 -0.0151 0.0294 77 GLY A O 597 N N . VAL A 79 ? 0.2263 0.3162 0.2778 -0.0630 -0.0167 0.0220 78 VAL A N 598 C CA . VAL A 79 ? 0.2216 0.3098 0.2747 -0.0539 -0.0121 0.0200 78 VAL A CA 599 C C . VAL A 79 ? 0.2259 0.2953 0.2705 -0.0528 -0.0113 0.0157 78 VAL A C 600 O O . VAL A 79 ? 0.2425 0.3000 0.2804 -0.0543 -0.0134 0.0130 78 VAL A O 601 C CB . VAL A 79 ? 0.2171 0.3101 0.2733 -0.0463 -0.0109 0.0186 78 VAL A CB 602 C CG1 . VAL A 79 ? 0.2223 0.3113 0.2785 -0.0380 -0.0067 0.0163 78 VAL A CG1 603 C CG2 . VAL A 79 ? 0.2239 0.3360 0.2882 -0.0460 -0.0115 0.0230 78 VAL A CG2 604 N N . ASP A 80 ? 0.2091 0.2762 0.2538 -0.0498 -0.0081 0.0155 79 ASP A N 605 C CA . ASP A 80 ? 0.2099 0.2618 0.2480 -0.0465 -0.0067 0.0117 79 ASP A CA 606 C C . ASP A 80 ? 0.2047 0.2591 0.2460 -0.0383 -0.0031 0.0102 79 ASP A C 607 O O . ASP A 80 ? 0.2065 0.2709 0.2530 -0.0359 -0.0010 0.0124 79 ASP A O 608 C CB . ASP A 80 ? 0.2246 0.2681 0.2577 -0.0504 -0.0065 0.0122 79 ASP A CB 609 C CG . ASP A 80 ? 0.2365 0.2642 0.2620 -0.0469 -0.0055 0.0085 79 ASP A CG 610 O OD1 . ASP A 80 ? 0.2577 0.2767 0.2779 -0.0470 -0.0072 0.0061 79 ASP A OD1 611 O OD2 . ASP A 80 ? 0.2466 0.2716 0.2715 -0.0437 -0.0030 0.0081 79 ASP A OD2 612 N N . VAL A 81 ? 0.1951 0.2399 0.2326 -0.0341 -0.0025 0.0067 80 VAL A N 613 C CA . VAL A 81 ? 0.1847 0.2297 0.2237 -0.0274 0.0001 0.0052 80 VAL A CA 614 C C . VAL A 81 ? 0.1943 0.2279 0.2281 -0.0260 0.0011 0.0028 80 VAL A C 615 O O . VAL A 81 ? 0.1933 0.2177 0.2219 -0.0271 0.0000 0.0011 80 VAL A O 616 C CB . VAL A 81 ? 0.1867 0.2330 0.2269 -0.0235 0.0000 0.0037 80 VAL A CB 617 C CG1 . VAL A 81 ? 0.1826 0.2274 0.2230 -0.0174 0.0025 0.0021 80 VAL A CG1 618 C CG2 . VAL A 81 ? 0.1900 0.2484 0.2353 -0.0239 -0.0007 0.0063 80 VAL A CG2 619 N N . ARG A 82 ? 0.1908 0.2253 0.2254 -0.0233 0.0033 0.0030 81 ARG A N 620 C CA . ARG A 82 ? 0.2065 0.2319 0.2366 -0.0215 0.0042 0.0012 81 ARG A CA 621 C C . ARG A 82 ? 0.1953 0.2218 0.2267 -0.0163 0.0059 0.0000 81 ARG A C 622 O O . ARG A 82 ? 0.2092 0.2422 0.2438 -0.0139 0.0069 0.0005 81 ARG A O 623 C CB . ARG A 82 ? 0.2338 0.2565 0.2615 -0.0243 0.0046 0.0028 81 ARG A CB 624 C CG . ARG A 82 ? 0.2475 0.2770 0.2783 -0.0229 0.0066 0.0045 81 ARG A CG 625 C CD . ARG A 82 ? 0.2829 0.3082 0.3104 -0.0253 0.0071 0.0059 81 ARG A CD 626 N NE . ARG A 82 ? 0.2902 0.3231 0.3208 -0.0235 0.0092 0.0078 81 ARG A NE 627 C CZ . ARG A 82 ? 0.3351 0.3688 0.3647 -0.0260 0.0101 0.0102 81 ARG A CZ 628 N NH1 . ARG A 82 ? 0.3279 0.3541 0.3529 -0.0307 0.0089 0.0110 81 ARG A NH1 629 N NH2 . ARG A 82 ? 0.3370 0.3784 0.3695 -0.0235 0.0123 0.0119 81 ARG A NH2 630 N N . VAL A 83 ? 0.1880 0.2077 0.2162 -0.0145 0.0062 -0.0017 82 VAL A N 631 C CA . VAL A 83 ? 0.1863 0.2059 0.2148 -0.0106 0.0072 -0.0029 82 VAL A CA 632 C C . VAL A 83 ? 0.1839 0.2022 0.2107 -0.0099 0.0083 -0.0024 82 VAL A C 633 O O . VAL A 83 ? 0.1966 0.2098 0.2203 -0.0105 0.0082 -0.0025 82 VAL A O 634 C CB . VAL A 83 ? 0.1790 0.1937 0.2054 -0.0094 0.0066 -0.0046 82 VAL A CB 635 C CG1 . VAL A 83 ? 0.1877 0.2026 0.2143 -0.0066 0.0072 -0.0055 82 VAL A CG1 636 C CG2 . VAL A 83 ? 0.1893 0.2044 0.2165 -0.0101 0.0056 -0.0051 82 VAL A CG2 637 N N . PRO A 84 ? 0.1908 0.2133 0.2190 -0.0082 0.0095 -0.0018 83 PRO A N 638 C CA . PRO A 84 ? 0.1955 0.2167 0.2216 -0.0073 0.0105 -0.0013 83 PRO A CA 639 C C . PRO A 84 ? 0.1977 0.2155 0.2217 -0.0049 0.0102 -0.0029 83 PRO A C 640 O O . PRO A 84 ? 0.1871 0.2046 0.2116 -0.0039 0.0095 -0.0042 83 PRO A O 641 C CB . PRO A 84 ? 0.1977 0.2248 0.2254 -0.0059 0.0119 0.0000 83 PRO A CB 642 C CG . PRO A 84 ? 0.2012 0.2308 0.2306 -0.0040 0.0117 -0.0009 83 PRO A CG 643 C CD . PRO A 84 ? 0.1912 0.2196 0.2220 -0.0065 0.0101 -0.0013 83 PRO A CD 644 N N . GLY A 85 ? 0.2169 0.2327 0.2386 -0.0042 0.0106 -0.0026 84 GLY A N 645 C CA . GLY A 85 ? 0.2074 0.2219 0.2273 -0.0022 0.0102 -0.0036 84 GLY A CA 646 C C . GLY A 85 ? 0.2048 0.2174 0.2244 -0.0019 0.0091 -0.0043 84 GLY A C 647 O O . GLY A 85 ? 0.1971 0.2103 0.2162 -0.0010 0.0082 -0.0050 84 GLY A O 648 N N . PHE A 86 ? 0.2064 0.2166 0.2256 -0.0026 0.0090 -0.0040 85 PHE A N 649 C CA . PHE A 86 ? 0.2067 0.2158 0.2252 -0.0013 0.0085 -0.0042 85 PHE A CA 650 C C . PHE A 86 ? 0.2185 0.2277 0.2351 0.0004 0.0085 -0.0034 85 PHE A C 651 O O . PHE A 86 ? 0.2024 0.2091 0.2164 0.0007 0.0092 -0.0025 85 PHE A O 652 C CB . PHE A 86 ? 0.2139 0.2189 0.2305 -0.0017 0.0086 -0.0040 85 PHE A CB 653 C CG . PHE A 86 ? 0.2173 0.2223 0.2334 0.0004 0.0085 -0.0040 85 PHE A CG 654 C CD1 . PHE A 86 ? 0.2220 0.2291 0.2403 0.0002 0.0080 -0.0047 85 PHE A CD1 655 C CD2 . PHE A 86 ? 0.2394 0.2427 0.2525 0.0031 0.0090 -0.0030 85 PHE A CD2 656 C CE1 . PHE A 86 ? 0.2259 0.2343 0.2440 0.0024 0.0082 -0.0042 85 PHE A CE1 657 C CE2 . PHE A 86 ? 0.2459 0.2509 0.2587 0.0058 0.0093 -0.0024 85 PHE A CE2 658 C CZ . PHE A 86 ? 0.2388 0.2468 0.2544 0.0053 0.0089 -0.0029 85 PHE A CZ 659 N N . GLY A 87 ? 0.1938 0.2062 0.2114 0.0014 0.0076 -0.0034 86 GLY A N 660 C CA . GLY A 87 ? 0.2115 0.2257 0.2278 0.0031 0.0073 -0.0025 86 GLY A CA 661 C C . GLY A 87 ? 0.2033 0.2188 0.2189 0.0024 0.0065 -0.0029 86 GLY A C 662 O O . GLY A 87 ? 0.2129 0.2305 0.2273 0.0033 0.0057 -0.0022 86 GLY A O 663 N N . LYS A 88 ? 0.2065 0.2208 0.2223 0.0011 0.0069 -0.0040 87 LYS A N 664 C CA . LYS A 88 ? 0.2385 0.2525 0.2520 0.0011 0.0065 -0.0046 87 LYS A CA 665 C C . LYS A 88 ? 0.2268 0.2406 0.2406 0.0000 0.0052 -0.0059 87 LYS A C 666 O O . LYS A 88 ? 0.2377 0.2523 0.2539 -0.0009 0.0048 -0.0061 87 LYS A O 667 C CB . LYS A 88 ? 0.2610 0.2738 0.2736 0.0014 0.0083 -0.0042 87 LYS A CB 668 C CG . LYS A 88 ? 0.2955 0.3072 0.3074 0.0016 0.0095 -0.0027 87 LYS A CG 669 C CD . LYS A 88 ? 0.3562 0.3675 0.3653 0.0031 0.0091 -0.0019 87 LYS A CD 670 C CE . LYS A 88 ? 0.4261 0.4345 0.4332 0.0035 0.0104 -0.0002 87 LYS A CE 671 N NZ . LYS A 88 ? 0.4482 0.4561 0.4527 0.0057 0.0099 0.0007 87 LYS A NZ 672 N N . THR A 89 ? 0.2169 0.2285 0.2272 0.0001 0.0048 -0.0068 88 THR A N 673 C CA . THR A 89 ? 0.2188 0.2280 0.2274 -0.0008 0.0036 -0.0081 88 THR A CA 674 C C . THR A 89 ? 0.2160 0.2223 0.2222 0.0008 0.0051 -0.0089 88 THR A C 675 O O . THR A 89 ? 0.1949 0.1984 0.1995 0.0006 0.0046 -0.0098 88 THR A O 676 C CB . THR A 89 ? 0.2396 0.2468 0.2439 -0.0024 0.0010 -0.0087 88 THR A CB 677 O OG1 . THR A 89 ? 0.2658 0.2704 0.2651 -0.0009 0.0012 -0.0090 88 THR A OG1 678 C CG2 . THR A 89 ? 0.2606 0.2729 0.2682 -0.0040 -0.0004 -0.0073 88 THR A CG2 679 N N . PHE A 90 ? 0.2101 0.2176 0.2160 0.0027 0.0071 -0.0081 89 PHE A N 680 C CA . PHE A 90 ? 0.2255 0.2317 0.2288 0.0053 0.0088 -0.0083 89 PHE A CA 681 C C . PHE A 90 ? 0.2173 0.2248 0.2236 0.0055 0.0094 -0.0083 89 PHE A C 682 O O . PHE A 90 ? 0.2252 0.2300 0.2279 0.0078 0.0099 -0.0089 89 PHE A O 683 C CB . PHE A 90 ? 0.2460 0.2553 0.2496 0.0070 0.0111 -0.0067 89 PHE A CB 684 C CG . PHE A 90 ? 0.2487 0.2630 0.2582 0.0055 0.0123 -0.0050 89 PHE A CG 685 C CD1 . PHE A 90 ? 0.2664 0.2845 0.2791 0.0059 0.0136 -0.0041 89 PHE A CD1 686 C CD2 . PHE A 90 ? 0.2595 0.2742 0.2704 0.0037 0.0119 -0.0042 89 PHE A CD2 687 C CE1 . PHE A 90 ? 0.2701 0.2921 0.2874 0.0035 0.0141 -0.0024 89 PHE A CE1 688 C CE2 . PHE A 90 ? 0.2783 0.2953 0.2928 0.0019 0.0127 -0.0027 89 PHE A CE2 689 C CZ . PHE A 90 ? 0.2700 0.2906 0.2876 0.0013 0.0136 -0.0019 89 PHE A CZ 690 N N . SER A 91 ? 0.2111 0.2220 0.2229 0.0036 0.0093 -0.0076 90 SER A N 691 C CA . SER A 91 ? 0.2099 0.2230 0.2247 0.0038 0.0099 -0.0074 90 SER A CA 692 C C . SER A 91 ? 0.2076 0.2172 0.2212 0.0032 0.0084 -0.0086 90 SER A C 693 O O . SER A 91 ? 0.2029 0.2133 0.2176 0.0041 0.0088 -0.0085 90 SER A O 694 C CB . SER A 91 ? 0.2137 0.2306 0.2335 0.0017 0.0101 -0.0062 90 SER A CB 695 O OG . SER A 91 ? 0.2378 0.2531 0.2587 -0.0001 0.0088 -0.0067 90 SER A OG 696 N N A LEU A 92 ? 0.1959 0.2023 0.2074 0.0016 0.0067 -0.0095 91 LEU A N 697 N N B LEU A 92 ? 0.2066 0.2129 0.2179 0.0016 0.0067 -0.0095 91 LEU A N 698 C CA A LEU A 92 ? 0.2001 0.2024 0.2091 0.0006 0.0052 -0.0105 91 LEU A CA 699 C CA B LEU A 92 ? 0.2176 0.2198 0.2265 0.0005 0.0051 -0.0105 91 LEU A CA 700 C C A LEU A 92 ? 0.2048 0.2001 0.2061 0.0012 0.0042 -0.0116 91 LEU A C 701 C C B LEU A 92 ? 0.2150 0.2104 0.2163 0.0013 0.0043 -0.0116 91 LEU A C 702 O O A LEU A 92 ? 0.2119 0.2020 0.2094 0.0009 0.0033 -0.0123 91 LEU A O 703 O O B LEU A 92 ? 0.2212 0.2113 0.2187 0.0009 0.0033 -0.0123 91 LEU A O 704 C CB A LEU A 92 ? 0.1966 0.2007 0.2089 -0.0023 0.0037 -0.0101 91 LEU A CB 705 C CB B LEU A 92 ? 0.2320 0.2356 0.2429 -0.0025 0.0033 -0.0102 91 LEU A CB 706 C CG A LEU A 92 ? 0.1950 0.2025 0.2095 -0.0036 0.0031 -0.0094 91 LEU A CG 707 C CG B LEU A 92 ? 0.2354 0.2433 0.2516 -0.0036 0.0035 -0.0093 91 LEU A CG 708 C CD1 A LEU A 92 ? 0.2050 0.2097 0.2148 -0.0047 0.0013 -0.0098 91 LEU A CD1 709 C CD1 B LEU A 92 ? 0.2426 0.2536 0.2617 -0.0026 0.0049 -0.0086 91 LEU A CD1 710 C CD2 A LEU A 92 ? 0.1971 0.2075 0.2151 -0.0052 0.0025 -0.0086 91 LEU A CD2 711 C CD2 B LEU A 92 ? 0.2535 0.2631 0.2702 -0.0058 0.0018 -0.0088 91 LEU A CD2 712 N N . GLU A 93 ? 0.2058 0.2000 0.2036 0.0023 0.0044 -0.0118 92 GLU A N 713 C CA . GLU A 93 ? 0.2150 0.2009 0.2035 0.0034 0.0035 -0.0131 92 GLU A CA 714 C C . GLU A 93 ? 0.2224 0.2049 0.2069 0.0079 0.0056 -0.0133 92 GLU A C 715 O O . GLU A 93 ? 0.2315 0.2053 0.2082 0.0088 0.0049 -0.0145 92 GLU A O 716 C CB . GLU A 93 ? 0.2130 0.1983 0.1980 0.0039 0.0033 -0.0131 92 GLU A CB 717 C CG . GLU A 93 ? 0.2202 0.2078 0.2070 0.0000 0.0007 -0.0128 92 GLU A CG 718 C CD . GLU A 93 ? 0.2297 0.2159 0.2118 0.0006 0.0002 -0.0130 92 GLU A CD 719 O OE1 . GLU A 93 ? 0.2445 0.2227 0.2175 0.0013 -0.0007 -0.0143 92 GLU A OE1 720 O OE2 . GLU A 93 ? 0.2391 0.2313 0.2258 0.0006 0.0007 -0.0118 92 GLU A OE2 721 N N . PHE A 94 ? 0.2260 0.2152 0.2152 0.0108 0.0083 -0.0120 93 PHE A N 722 C CA . PHE A 94 ? 0.2400 0.2293 0.2267 0.0158 0.0107 -0.0114 93 PHE A CA 723 C C . PHE A 94 ? 0.2383 0.2364 0.2337 0.0157 0.0119 -0.0098 93 PHE A C 724 O O . PHE A 94 ? 0.2297 0.2352 0.2318 0.0139 0.0125 -0.0084 93 PHE A O 725 C CB . PHE A 94 ? 0.2673 0.2584 0.2513 0.0194 0.0129 -0.0106 93 PHE A CB 726 C CG . PHE A 94 ? 0.2931 0.2747 0.2667 0.0204 0.0119 -0.0123 93 PHE A CG 727 C CD1 . PHE A 94 ? 0.3178 0.2889 0.2810 0.0235 0.0117 -0.0137 93 PHE A CD1 728 C CD2 . PHE A 94 ? 0.3246 0.3068 0.2979 0.0183 0.0110 -0.0124 93 PHE A CD2 729 C CE1 . PHE A 94 ? 0.3502 0.3108 0.3022 0.0240 0.0104 -0.0154 93 PHE A CE1 730 C CE2 . PHE A 94 ? 0.3301 0.3031 0.2930 0.0189 0.0096 -0.0139 93 PHE A CE2 731 C CZ . PHE A 94 ? 0.3469 0.3089 0.2990 0.0215 0.0092 -0.0155 93 PHE A CZ 732 N N . LEU A 95 ? 0.2294 0.2262 0.2242 0.0174 0.0121 -0.0098 94 LEU A N 733 C CA . LEU A 95 ? 0.2296 0.2347 0.2319 0.0173 0.0129 -0.0082 94 LEU A CA 734 C C . LEU A 95 ? 0.2400 0.2531 0.2445 0.0212 0.0156 -0.0059 94 LEU A C 735 O O . LEU A 95 ? 0.2311 0.2535 0.2429 0.0196 0.0160 -0.0040 94 LEU A O 736 C CB . LEU A 95 ? 0.2321 0.2333 0.2326 0.0181 0.0121 -0.0087 94 LEU A CB 737 C CG . LEU A 95 ? 0.2422 0.2365 0.2407 0.0139 0.0096 -0.0104 94 LEU A CG 738 C CD1 . LEU A 95 ? 0.2608 0.2507 0.2567 0.0149 0.0091 -0.0106 94 LEU A CD1 739 C CD2 . LEU A 95 ? 0.2386 0.2383 0.2444 0.0092 0.0085 -0.0101 94 LEU A CD2 740 N N . ASP A 96 ? 0.2487 0.2581 0.2461 0.0263 0.0173 -0.0059 95 ASP A N 741 C CA . ASP A 96 ? 0.2769 0.2946 0.2756 0.0309 0.0203 -0.0034 95 ASP A CA 742 C C . ASP A 96 ? 0.2841 0.3022 0.2813 0.0305 0.0212 -0.0031 95 ASP A C 743 O O . ASP A 96 ? 0.2889 0.2975 0.2777 0.0319 0.0208 -0.0051 95 ASP A O 744 C CB . ASP A 96 ? 0.3001 0.3130 0.2905 0.0384 0.0222 -0.0033 95 ASP A CB 745 C CG . ASP A 96 ? 0.3338 0.3579 0.3267 0.0440 0.0256 0.0000 95 ASP A CG 746 O OD1 . ASP A 96 ? 0.3496 0.3824 0.3476 0.0426 0.0268 0.0020 95 ASP A OD1 747 O OD2 . ASP A 96 ? 0.4188 0.4434 0.4084 0.0502 0.0273 0.0011 95 ASP A OD2 748 N N . PRO A 97 ? 0.3013 0.3298 0.3061 0.0282 0.0222 -0.0007 96 PRO A N 749 C CA . PRO A 97 ? 0.3306 0.3594 0.3338 0.0277 0.0231 -0.0002 96 PRO A CA 750 C C . PRO A 97 ? 0.3490 0.3763 0.3447 0.0344 0.0259 0.0003 96 PRO A C 751 O O . PRO A 97 ? 0.3540 0.3789 0.3463 0.0344 0.0264 0.0001 96 PRO A O 752 C CB . PRO A 97 ? 0.3403 0.3806 0.3527 0.0239 0.0237 0.0027 96 PRO A CB 753 C CG . PRO A 97 ? 0.3278 0.3735 0.3463 0.0220 0.0228 0.0035 96 PRO A CG 754 C CD . PRO A 97 ? 0.3183 0.3582 0.3323 0.0259 0.0224 0.0018 96 PRO A CD 755 N N . SER A 98 ? 0.3367 0.3647 0.3290 0.0405 0.0278 0.0011 97 SER A N 756 C CA . SER A 98 ? 0.3897 0.4127 0.3718 0.0479 0.0305 0.0011 97 SER A CA 757 C C . SER A 98 ? 0.3914 0.3973 0.3617 0.0478 0.0282 -0.0028 97 SER A C 758 O O . SER A 98 ? 0.3846 0.3834 0.3445 0.0529 0.0297 -0.0035 97 SER A O 759 C CB . SER A 98 ? 0.4050 0.4308 0.3847 0.0552 0.0329 0.0028 97 SER A CB 760 O OG . SER A 98 ? 0.4501 0.4644 0.4239 0.0555 0.0307 0.0000 97 SER A OG 761 N N . LYS A 99 ? 0.3769 0.3767 0.3485 0.0420 0.0246 -0.0052 98 LYS A N 762 C CA . LYS A 99 ? 0.3868 0.3722 0.3489 0.0400 0.0217 -0.0086 98 LYS A CA 763 C C . LYS A 99 ? 0.3968 0.3699 0.3467 0.0453 0.0219 -0.0101 98 LYS A C 764 O O . LYS A 99 ? 0.4129 0.3724 0.3514 0.0449 0.0200 -0.0127 98 LYS A O 765 C CB . LYS A 99 ? 0.3991 0.3815 0.3570 0.0389 0.0212 -0.0093 98 LYS A CB 766 C CG . LYS A 99 ? 0.4216 0.4140 0.3902 0.0337 0.0207 -0.0079 98 LYS A CG 767 C CD . LYS A 99 ? 0.4717 0.4602 0.4354 0.0326 0.0199 -0.0086 98 LYS A CD 768 C CE . LYS A 99 ? 0.4942 0.4909 0.4674 0.0277 0.0193 -0.0072 98 LYS A CE 769 N NZ . LYS A 99 ? 0.5520 0.5450 0.5202 0.0268 0.0183 -0.0079 98 LYS A NZ 770 N N . SER A 100 ? 0.3848 0.3625 0.3369 0.0497 0.0240 -0.0085 99 SER A N 771 C CA . SER A 100 ? 0.4194 0.3856 0.3604 0.0550 0.0243 -0.0096 99 SER A CA 772 C C . SER A 100 ? 0.3968 0.3508 0.3335 0.0494 0.0203 -0.0124 99 SER A C 773 O O . SER A 100 ? 0.3697 0.3290 0.3161 0.0424 0.0179 -0.0126 99 SER A O 774 C CB . SER A 100 ? 0.4317 0.4083 0.3788 0.0599 0.0270 -0.0068 99 SER A CB 775 O OG . SER A 100 ? 0.5016 0.4663 0.4383 0.0646 0.0269 -0.0079 99 SER A OG 776 N N . SER A 101 ? 0.3990 0.3365 0.3208 0.0526 0.0196 -0.0144 100 SER A N 777 C CA . SER A 101 ? 0.4032 0.3279 0.3193 0.0467 0.0156 -0.0167 100 SER A CA 778 C C . SER A 101 ? 0.3917 0.3219 0.3164 0.0444 0.0150 -0.0158 100 SER A C 779 O O . SER A 101 ? 0.3672 0.2937 0.2937 0.0374 0.0118 -0.0168 100 SER A O 780 C CB . SER A 101 ? 0.4457 0.3498 0.3421 0.0508 0.0151 -0.0188 100 SER A CB 781 O OG . SER A 101 ? 0.4763 0.3784 0.3674 0.0599 0.0185 -0.0176 100 SER A OG 782 N N . VAL A 102 ? 0.3817 0.3211 0.3114 0.0504 0.0182 -0.0135 101 VAL A N 783 C CA . VAL A 102 ? 0.3922 0.3382 0.3303 0.0488 0.0177 -0.0123 101 VAL A CA 784 C C . VAL A 102 ? 0.3503 0.3065 0.3021 0.0401 0.0155 -0.0122 101 VAL A C 785 O O . VAL A 102 ? 0.3526 0.3084 0.3079 0.0362 0.0137 -0.0124 101 VAL A O 786 C CB . VAL A 102 ? 0.4415 0.3995 0.3848 0.0563 0.0213 -0.0093 101 VAL A CB 787 C CG1 . VAL A 102 ? 0.4621 0.4382 0.4186 0.0550 0.0229 -0.0069 101 VAL A CG1 788 C CG2 . VAL A 102 ? 0.4684 0.4287 0.4159 0.0557 0.0206 -0.0085 101 VAL A CG2 789 N N . GLY A 103 ? 0.3046 0.2690 0.2628 0.0376 0.0157 -0.0118 102 GLY A N 790 C CA . GLY A 103 ? 0.2862 0.2588 0.2555 0.0305 0.0138 -0.0116 102 GLY A CA 791 C C . GLY A 103 ? 0.2856 0.2525 0.2527 0.0247 0.0111 -0.0133 102 GLY A C 792 O O . GLY A 103 ? 0.2760 0.2502 0.2517 0.0199 0.0100 -0.0130 102 GLY A O 793 N N . SER A 104 ? 0.2765 0.2303 0.2317 0.0250 0.0097 -0.0151 103 SER A N 794 C CA . SER A 104 ? 0.2806 0.2305 0.2340 0.0191 0.0067 -0.0164 103 SER A CA 795 C C . SER A 104 ? 0.2771 0.2268 0.2346 0.0129 0.0040 -0.0165 103 SER A C 796 O O . SER A 104 ? 0.2891 0.2300 0.2403 0.0126 0.0030 -0.0171 103 SER A O 797 C CB . SER A 104 ? 0.2970 0.2324 0.2355 0.0206 0.0056 -0.0182 103 SER A CB 798 O OG . SER A 104 ? 0.3043 0.2370 0.2413 0.0142 0.0022 -0.0192 103 SER A OG 799 N N . TYR A 105 ? 0.2519 0.2107 0.2190 0.0083 0.0030 -0.0158 104 TYR A N 800 C CA . TYR A 105 ? 0.2306 0.1920 0.2032 0.0035 0.0012 -0.0153 104 TYR A CA 801 C C . TYR A 105 ? 0.2314 0.1935 0.2046 -0.0023 -0.0016 -0.0154 104 TYR A C 802 O O . TYR A 105 ? 0.2513 0.2053 0.2176 -0.0058 -0.0042 -0.0160 104 TYR A O 803 C CB . TYR A 105 ? 0.2209 0.1935 0.2044 0.0044 0.0031 -0.0139 104 TYR A CB 804 C CG . TYR A 105 ? 0.2047 0.1808 0.1940 0.0005 0.0019 -0.0133 104 TYR A CG 805 C CD1 . TYR A 105 ? 0.2204 0.1896 0.2051 -0.0013 0.0005 -0.0135 104 TYR A CD1 806 C CD2 . TYR A 105 ? 0.1917 0.1772 0.1900 -0.0009 0.0023 -0.0123 104 TYR A CD2 807 C CE1 . TYR A 105 ? 0.2146 0.1877 0.2046 -0.0047 -0.0002 -0.0126 104 TYR A CE1 808 C CE2 . TYR A 105 ? 0.1984 0.1869 0.2011 -0.0037 0.0016 -0.0116 104 TYR A CE2 809 C CZ . TYR A 105 ? 0.2049 0.1880 0.2039 -0.0056 0.0003 -0.0116 104 TYR A CZ 810 O OH . TYR A 105 ? 0.2056 0.1925 0.2091 -0.0081 0.0000 -0.0106 104 TYR A OH 811 N N . PHE A 106 ? 0.2218 0.1934 0.2028 -0.0034 -0.0014 -0.0145 105 PHE A N 812 C CA . PHE A 106 ? 0.2165 0.1902 0.1982 -0.0079 -0.0040 -0.0141 105 PHE A CA 813 C C . PHE A 106 ? 0.2231 0.1919 0.1974 -0.0074 -0.0050 -0.0151 105 PHE A C 814 O O . PHE A 106 ? 0.2139 0.1847 0.1882 -0.0110 -0.0074 -0.0146 105 PHE A O 815 C CB . PHE A 106 ? 0.2143 0.1994 0.2062 -0.0088 -0.0033 -0.0126 105 PHE A CB 816 C CG . PHE A 106 ? 0.2174 0.2070 0.2149 -0.0115 -0.0038 -0.0114 105 PHE A CG 817 C CD1 . PHE A 106 ? 0.2245 0.2165 0.2264 -0.0097 -0.0019 -0.0111 105 PHE A CD1 818 C CD2 . PHE A 106 ? 0.2287 0.2213 0.2275 -0.0160 -0.0063 -0.0103 105 PHE A CD2 819 C CE1 . PHE A 106 ? 0.2322 0.2282 0.2387 -0.0118 -0.0023 -0.0100 105 PHE A CE1 820 C CE2 . PHE A 106 ? 0.2206 0.2185 0.2247 -0.0181 -0.0064 -0.0087 105 PHE A CE2 821 C CZ . PHE A 106 ? 0.2184 0.2175 0.2260 -0.0158 -0.0043 -0.0087 105 PHE A CZ 822 N N . HIS A 107 ? 0.2224 0.1854 0.1903 -0.0026 -0.0031 -0.0161 106 HIS A N 823 C CA . HIS A 107 ? 0.2274 0.1859 0.1879 -0.0013 -0.0036 -0.0169 106 HIS A CA 824 C C . HIS A 107 ? 0.2347 0.1844 0.1861 -0.0060 -0.0077 -0.0180 106 HIS A C 825 O O . HIS A 107 ? 0.2329 0.1847 0.1835 -0.0081 -0.0095 -0.0178 106 HIS A O 826 C CB . HIS A 107 ? 0.2325 0.1858 0.1865 0.0051 -0.0006 -0.0176 106 HIS A CB 827 C CG . HIS A 107 ? 0.2500 0.2002 0.1973 0.0073 -0.0004 -0.0182 106 HIS A CG 828 N ND1 . HIS A 107 ? 0.2447 0.2032 0.1978 0.0065 -0.0001 -0.0172 106 HIS A ND1 829 C CD2 . HIS A 107 ? 0.2672 0.2063 0.2016 0.0108 -0.0001 -0.0196 106 HIS A CD2 830 C CE1 . HIS A 107 ? 0.2556 0.2090 0.2003 0.0091 0.0001 -0.0179 106 HIS A CE1 831 N NE2 . HIS A 107 ? 0.2709 0.2124 0.2040 0.0119 0.0001 -0.0195 106 HIS A NE2 832 N N . THR A 108 ? 0.2431 0.1829 0.1872 -0.0081 -0.0094 -0.0188 107 THR A N 833 C CA . THR A 108 ? 0.2659 0.1962 0.2002 -0.0137 -0.0138 -0.0196 107 THR A CA 834 C C . THR A 108 ? 0.2535 0.1942 0.1960 -0.0204 -0.0169 -0.0178 107 THR A C 835 O O . THR A 108 ? 0.2496 0.1891 0.1878 -0.0242 -0.0201 -0.0179 107 THR A O 836 C CB . THR A 108 ? 0.2827 0.1998 0.2076 -0.0155 -0.0152 -0.0205 107 THR A CB 837 O OG1 . THR A 108 ? 0.2953 0.2026 0.2114 -0.0081 -0.0122 -0.0220 107 THR A OG1 838 C CG2 . THR A 108 ? 0.3038 0.2099 0.2173 -0.0223 -0.0202 -0.0212 107 THR A CG2 839 N N . MET A 109 ? 0.2427 0.1940 0.1968 -0.0216 -0.0158 -0.0161 108 MET A N 840 C CA . MET A 109 ? 0.2448 0.2074 0.2072 -0.0268 -0.0181 -0.0139 108 MET A CA 841 C C . MET A 109 ? 0.2358 0.2075 0.2032 -0.0250 -0.0176 -0.0131 108 MET A C 842 O O . MET A 109 ? 0.2369 0.2137 0.2052 -0.0291 -0.0206 -0.0118 108 MET A O 843 C CB . MET A 109 ? 0.2424 0.2139 0.2152 -0.0272 -0.0164 -0.0121 108 MET A CB 844 C CG . MET A 109 ? 0.2518 0.2366 0.2338 -0.0311 -0.0179 -0.0094 108 MET A CG 845 S SD . MET A 109 ? 0.2628 0.2567 0.2551 -0.0310 -0.0158 -0.0074 108 MET A SD 846 C CE . MET A 109 ? 0.2760 0.2595 0.2609 -0.0361 -0.0181 -0.0076 108 MET A CE 847 N N . VAL A 110 ? 0.2191 0.1935 0.1899 -0.0191 -0.0139 -0.0136 109 VAL A N 848 C CA . VAL A 110 ? 0.2177 0.1995 0.1925 -0.0171 -0.0131 -0.0127 109 VAL A CA 849 C C . VAL A 110 ? 0.2334 0.2084 0.1983 -0.0176 -0.0153 -0.0139 109 VAL A C 850 O O . VAL A 110 ? 0.2435 0.2244 0.2102 -0.0192 -0.0171 -0.0127 109 VAL A O 851 C CB . VAL A 110 ? 0.2128 0.1988 0.1932 -0.0116 -0.0088 -0.0126 109 VAL A CB 852 C CG1 . VAL A 110 ? 0.2134 0.2051 0.1963 -0.0096 -0.0080 -0.0116 109 VAL A CG1 853 C CG2 . VAL A 110 ? 0.2096 0.2023 0.1990 -0.0117 -0.0073 -0.0114 109 VAL A CG2 854 N N . GLU A 111 ? 0.2375 0.1998 0.1914 -0.0160 -0.0153 -0.0160 110 GLU A N 855 C CA . GLU A 111 ? 0.2510 0.2042 0.1929 -0.0169 -0.0179 -0.0174 110 GLU A CA 856 C C . GLU A 111 ? 0.2495 0.2041 0.1898 -0.0245 -0.0233 -0.0165 110 GLU A C 857 O O . GLU A 111 ? 0.2399 0.1969 0.1780 -0.0260 -0.0256 -0.0161 110 GLU A O 858 C CB . GLU A 111 ? 0.2709 0.2085 0.1995 -0.0142 -0.0174 -0.0198 110 GLU A CB 859 C CG . GLU A 111 ? 0.2795 0.2160 0.2075 -0.0062 -0.0124 -0.0204 110 GLU A CG 860 C CD . GLU A 111 ? 0.2798 0.2173 0.2046 -0.0027 -0.0113 -0.0205 110 GLU A CD 861 O OE1 . GLU A 111 ? 0.2936 0.2195 0.2049 -0.0018 -0.0127 -0.0222 110 GLU A OE1 862 O OE2 . GLU A 111 ? 0.2858 0.2349 0.2209 -0.0009 -0.0089 -0.0188 110 GLU A OE2 863 N N . SER A 112 ? 0.2524 0.2065 0.1942 -0.0296 -0.0253 -0.0158 111 SER A N 864 C CA . SER A 112 ? 0.2653 0.2237 0.2076 -0.0377 -0.0304 -0.0141 111 SER A CA 865 C C . SER A 112 ? 0.2514 0.2273 0.2059 -0.0385 -0.0308 -0.0111 111 SER A C 866 O O . SER A 112 ? 0.2564 0.2361 0.2090 -0.0424 -0.0345 -0.0100 111 SER A O 867 C CB . SER A 112 ? 0.2909 0.2467 0.2337 -0.0427 -0.0318 -0.0134 111 SER A CB 868 O OG . SER A 112 ? 0.3304 0.2678 0.2587 -0.0435 -0.0331 -0.0159 111 SER A OG 869 N N . LEU A 113 ? 0.2338 0.2200 0.1999 -0.0346 -0.0269 -0.0098 112 LEU A N 870 C CA . LEU A 113 ? 0.2291 0.2305 0.2056 -0.0338 -0.0265 -0.0070 112 LEU A CA 871 C C . LEU A 113 ? 0.2268 0.2294 0.2006 -0.0310 -0.0267 -0.0072 112 LEU A C 872 O O . LEU A 113 ? 0.2220 0.2337 0.1986 -0.0331 -0.0293 -0.0050 112 LEU A O 873 C CB . LEU A 113 ? 0.2360 0.2443 0.2224 -0.0291 -0.0220 -0.0061 112 LEU A CB 874 C CG . LEU A 113 ? 0.2501 0.2613 0.2414 -0.0318 -0.0218 -0.0050 112 LEU A CG 875 C CD1 . LEU A 113 ? 0.2578 0.2710 0.2553 -0.0266 -0.0173 -0.0053 112 LEU A CD1 876 C CD2 . LEU A 113 ? 0.2546 0.2791 0.2527 -0.0359 -0.0242 -0.0014 112 LEU A CD2 877 N N . VAL A 114 ? 0.2205 0.2147 0.1890 -0.0259 -0.0239 -0.0095 113 VAL A N 878 C CA . VAL A 114 ? 0.2288 0.2232 0.1940 -0.0229 -0.0236 -0.0096 113 VAL A CA 879 C C . VAL A 114 ? 0.2500 0.2394 0.2055 -0.0275 -0.0288 -0.0101 113 VAL A C 880 O O . VAL A 114 ? 0.2323 0.2281 0.1884 -0.0278 -0.0306 -0.0087 113 VAL A O 881 C CB . VAL A 114 ? 0.2354 0.2229 0.1974 -0.0167 -0.0192 -0.0115 113 VAL A CB 882 C CG1 . VAL A 114 ? 0.2568 0.2418 0.2126 -0.0139 -0.0191 -0.0119 113 VAL A CG1 883 C CG2 . VAL A 114 ? 0.2208 0.2157 0.1932 -0.0130 -0.0150 -0.0103 113 VAL A CG2 884 N N . GLY A 115 ? 0.2550 0.2326 0.2009 -0.0314 -0.0313 -0.0120 114 GLY A N 885 C CA . GLY A 115 ? 0.2887 0.2602 0.2242 -0.0371 -0.0368 -0.0125 114 GLY A CA 886 C C . GLY A 115 ? 0.2948 0.2798 0.2374 -0.0437 -0.0413 -0.0092 114 GLY A C 887 O O . GLY A 115 ? 0.3090 0.2942 0.2460 -0.0476 -0.0457 -0.0087 114 GLY A O 888 N N . TRP A 116 ? 0.2871 0.2837 0.2417 -0.0447 -0.0400 -0.0067 115 TRP A N 889 C CA . TRP A 116 ? 0.2833 0.2956 0.2465 -0.0498 -0.0432 -0.0028 115 TRP A CA 890 C C . TRP A 116 ? 0.2881 0.3147 0.2602 -0.0448 -0.0414 -0.0003 115 TRP A C 891 O O . TRP A 116 ? 0.3093 0.3504 0.2885 -0.0476 -0.0437 0.0033 115 TRP A O 892 C CB . TRP A 116 ? 0.2709 0.2893 0.2423 -0.0524 -0.0423 -0.0009 115 TRP A CB 893 C CG . TRP A 116 ? 0.2749 0.2798 0.2380 -0.0576 -0.0441 -0.0028 115 TRP A CG 894 C CD1 . TRP A 116 ? 0.3033 0.2929 0.2522 -0.0623 -0.0482 -0.0051 115 TRP A CD1 895 C CD2 . TRP A 116 ? 0.2758 0.2798 0.2430 -0.0582 -0.0420 -0.0026 115 TRP A CD2 896 N NE1 . TRP A 116 ? 0.3115 0.2900 0.2549 -0.0658 -0.0486 -0.0063 115 TRP A NE1 897 C CE2 . TRP A 116 ? 0.2983 0.2859 0.2533 -0.0632 -0.0448 -0.0047 115 TRP A CE2 898 C CE3 . TRP A 116 ? 0.2689 0.2831 0.2476 -0.0547 -0.0381 -0.0008 115 TRP A CE3 899 C CZ2 . TRP A 116 ? 0.2927 0.2750 0.2476 -0.0648 -0.0436 -0.0049 115 TRP A CZ2 900 C CZ3 . TRP A 116 ? 0.2751 0.2844 0.2540 -0.0564 -0.0370 -0.0011 115 TRP A CZ3 901 C CH2 . TRP A 116 ? 0.2892 0.2829 0.2565 -0.0614 -0.0397 -0.0031 115 TRP A CH2 902 N N . GLY A 117 ? 0.2821 0.3050 0.2536 -0.0374 -0.0371 -0.0019 116 GLY A N 903 C CA . GLY A 117 ? 0.2766 0.3103 0.2543 -0.0324 -0.0353 0.0002 116 GLY A CA 904 C C . GLY A 117 ? 0.2576 0.2960 0.2438 -0.0259 -0.0298 0.0009 116 GLY A C 905 O O . GLY A 117 ? 0.2524 0.2983 0.2426 -0.0215 -0.0282 0.0028 116 GLY A O 906 N N . TYR A 118 ? 0.2307 0.2639 0.2187 -0.0252 -0.0270 -0.0005 117 TYR A N 907 C CA . TYR A 118 ? 0.2244 0.2600 0.2190 -0.0197 -0.0221 -0.0002 117 TYR A CA 908 C C . TYR A 118 ? 0.2301 0.2581 0.2206 -0.0146 -0.0188 -0.0021 117 TYR A C 909 O O . TYR A 118 ? 0.2417 0.2607 0.2239 -0.0150 -0.0197 -0.0043 117 TYR A O 910 C CB . TYR A 118 ? 0.2053 0.2382 0.2029 -0.0209 -0.0205 -0.0010 117 TYR A CB 911 C CG . TYR A 118 ? 0.2043 0.2479 0.2086 -0.0243 -0.0222 0.0017 117 TYR A CG 912 C CD1 . TYR A 118 ? 0.2158 0.2603 0.2178 -0.0312 -0.0266 0.0025 117 TYR A CD1 913 C CD2 . TYR A 118 ? 0.1996 0.2523 0.2121 -0.0207 -0.0194 0.0040 117 TYR A CD2 914 C CE1 . TYR A 118 ? 0.2135 0.2698 0.2224 -0.0347 -0.0281 0.0058 117 TYR A CE1 915 C CE2 . TYR A 118 ? 0.1959 0.2598 0.2147 -0.0230 -0.0206 0.0071 117 TYR A CE2 916 C CZ . TYR A 118 ? 0.2059 0.2725 0.2235 -0.0301 -0.0248 0.0082 117 TYR A CZ 917 O OH . TYR A 118 ? 0.2090 0.2882 0.2333 -0.0328 -0.0259 0.0120 117 TYR A OH 918 N N . THR A 119 ? 0.2233 0.2546 0.2190 -0.0100 -0.0151 -0.0012 118 THR A N 919 C CA . THR A 119 ? 0.2269 0.2526 0.2200 -0.0056 -0.0117 -0.0022 118 THR A CA 920 C C . THR A 119 ? 0.2128 0.2362 0.2098 -0.0037 -0.0081 -0.0029 118 THR A C 921 O O . THR A 119 ? 0.2012 0.2298 0.2041 -0.0027 -0.0069 -0.0014 118 THR A O 922 C CB . THR A 119 ? 0.2419 0.2728 0.2361 -0.0021 -0.0110 0.0000 118 THR A CB 923 O OG1 . THR A 119 ? 0.2713 0.3050 0.2618 -0.0039 -0.0146 0.0007 118 THR A OG1 924 C CG2 . THR A 119 ? 0.2441 0.2693 0.2355 0.0016 -0.0075 -0.0006 118 THR A CG2 925 N N . ARG A 120 ? 0.2101 0.2261 0.2036 -0.0030 -0.0064 -0.0049 119 ARG A N 926 C CA . ARG A 120 ? 0.2045 0.2189 0.2015 -0.0016 -0.0034 -0.0054 119 ARG A CA 927 C C . ARG A 120 ? 0.2143 0.2317 0.2152 0.0010 -0.0008 -0.0038 119 ARG A C 928 O O . ARG A 120 ? 0.2152 0.2320 0.2138 0.0029 0.0000 -0.0030 119 ARG A O 929 C CB . ARG A 120 ? 0.2049 0.2128 0.1974 -0.0002 -0.0016 -0.0071 119 ARG A CB 930 C CG . ARG A 120 ? 0.2055 0.2076 0.1930 -0.0020 -0.0033 -0.0089 119 ARG A CG 931 C CD . ARG A 120 ? 0.2068 0.2029 0.1887 0.0008 -0.0012 -0.0102 119 ARG A CD 932 N NE . ARG A 120 ? 0.2077 0.1967 0.1842 0.0001 -0.0022 -0.0119 119 ARG A NE 933 C CZ . ARG A 120 ? 0.2179 0.1993 0.1851 -0.0008 -0.0046 -0.0134 119 ARG A CZ 934 N NH1 . ARG A 120 ? 0.2327 0.2131 0.1949 -0.0011 -0.0063 -0.0134 119 ARG A NH1 935 N NH2 . ARG A 120 ? 0.2258 0.1997 0.1876 -0.0013 -0.0053 -0.0149 119 ARG A NH2 936 N N . GLY A 121 ? 0.2078 0.2273 0.2135 0.0010 0.0001 -0.0033 120 GLY A N 937 C CA . GLY A 121 ? 0.2072 0.2270 0.2149 0.0033 0.0024 -0.0021 120 GLY A CA 938 C C . GLY A 121 ? 0.2142 0.2382 0.2226 0.0051 0.0019 0.0000 120 GLY A C 939 O O . GLY A 121 ? 0.2301 0.2529 0.2387 0.0074 0.0037 0.0010 120 GLY A O 940 N N . GLU A 122 ? 0.2103 0.2391 0.2187 0.0042 -0.0006 0.0005 121 GLU A N 941 C CA A GLU A 122 ? 0.2106 0.2456 0.2202 0.0063 -0.0012 0.0030 121 GLU A CA 942 C CA B GLU A 122 ? 0.2098 0.2448 0.2194 0.0064 -0.0012 0.0030 121 GLU A CA 943 C C . GLU A 122 ? 0.1920 0.2343 0.2061 0.0047 -0.0028 0.0041 121 GLU A C 944 O O . GLU A 122 ? 0.1850 0.2283 0.2019 0.0061 -0.0012 0.0046 121 GLU A O 945 C CB A GLU A 122 ? 0.2289 0.2651 0.2347 0.0069 -0.0029 0.0037 121 GLU A CB 946 C CB B GLU A 122 ? 0.2254 0.2619 0.2314 0.0068 -0.0030 0.0038 121 GLU A CB 947 C CG A GLU A 122 ? 0.2537 0.2827 0.2554 0.0089 -0.0004 0.0031 121 GLU A CG 948 C CG B GLU A 122 ? 0.2479 0.2786 0.2497 0.0093 -0.0009 0.0037 121 GLU A CG 949 C CD A GLU A 122 ? 0.2676 0.2961 0.2647 0.0104 -0.0011 0.0039 121 GLU A CD 950 C CD B GLU A 122 ? 0.2535 0.2852 0.2547 0.0136 0.0006 0.0061 121 GLU A CD 951 O OE1 A GLU A 122 ? 0.2873 0.3213 0.2841 0.0101 -0.0037 0.0050 121 GLU A OE1 952 O OE1 B GLU A 122 ? 0.2432 0.2809 0.2472 0.0154 0.0001 0.0078 121 GLU A OE1 953 O OE2 A GLU A 122 ? 0.2865 0.3093 0.2804 0.0115 0.0010 0.0035 121 GLU A OE2 954 O OE2 B GLU A 122 ? 0.2599 0.2859 0.2573 0.0153 0.0025 0.0063 121 GLU A OE2 955 N N . ASP A 123 ? 0.1823 0.2294 0.1966 0.0014 -0.0060 0.0045 122 ASP A N 956 C CA . ASP A 123 ? 0.1766 0.2320 0.1955 -0.0007 -0.0077 0.0062 122 ASP A CA 957 C C . ASP A 123 ? 0.1688 0.2204 0.1883 -0.0050 -0.0084 0.0043 122 ASP A C 958 O O . ASP A 123 ? 0.1459 0.2038 0.1690 -0.0074 -0.0096 0.0057 122 ASP A O 959 C CB . ASP A 123 ? 0.1842 0.2490 0.2039 -0.0025 -0.0111 0.0086 122 ASP A CB 960 C CG . ASP A 123 ? 0.2023 0.2626 0.2167 -0.0064 -0.0142 0.0070 122 ASP A CG 961 O OD1 . ASP A 123 ? 0.2098 0.2597 0.2195 -0.0071 -0.0134 0.0039 122 ASP A OD1 962 O OD2 . ASP A 123 ? 0.2069 0.2745 0.2213 -0.0088 -0.0176 0.0089 122 ASP A OD2 963 N N . VAL A 124 ? 0.1620 0.2040 0.1777 -0.0055 -0.0074 0.0014 123 VAL A N 964 C CA . VAL A 124 ? 0.1687 0.2060 0.1848 -0.0076 -0.0069 -0.0002 123 VAL A CA 965 C C . VAL A 124 ? 0.1701 0.2017 0.1861 -0.0045 -0.0036 -0.0016 123 VAL A C 966 O O . VAL A 124 ? 0.1702 0.1974 0.1829 -0.0029 -0.0026 -0.0025 123 VAL A O 967 C CB . VAL A 124 ? 0.1855 0.2170 0.1966 -0.0117 -0.0095 -0.0020 123 VAL A CB 968 C CG1 . VAL A 124 ? 0.1908 0.2152 0.1956 -0.0104 -0.0093 -0.0038 123 VAL A CG1 969 C CG2 . VAL A 124 ? 0.1931 0.2199 0.2046 -0.0130 -0.0086 -0.0034 123 VAL A CG2 970 N N . ARG A 125 ? 0.1570 0.1895 0.1764 -0.0037 -0.0020 -0.0013 124 ARG A N 971 C CA . ARG A 125 ? 0.1597 0.1873 0.1790 -0.0016 0.0005 -0.0024 124 ARG A CA 972 C C . ARG A 125 ? 0.1648 0.1904 0.1856 -0.0031 0.0009 -0.0034 124 ARG A C 973 O O . ARG A 125 ? 0.1712 0.2002 0.1942 -0.0047 0.0000 -0.0027 124 ARG A O 974 C CB . ARG A 125 ? 0.1549 0.1842 0.1753 0.0015 0.0023 -0.0008 124 ARG A CB 975 C CG . ARG A 125 ? 0.1666 0.1975 0.1850 0.0037 0.0021 0.0004 124 ARG A CG 976 C CD . ARG A 125 ? 0.1719 0.2014 0.1893 0.0076 0.0042 0.0017 124 ARG A CD 977 N NE . ARG A 125 ? 0.1819 0.2140 0.1974 0.0103 0.0040 0.0036 124 ARG A NE 978 C CZ . ARG A 125 ? 0.2049 0.2344 0.2176 0.0142 0.0057 0.0049 124 ARG A CZ 979 N NH1 . ARG A 125 ? 0.2240 0.2472 0.2348 0.0154 0.0075 0.0044 124 ARG A NH1 980 N NH2 . ARG A 125 ? 0.2073 0.2397 0.2182 0.0170 0.0054 0.0068 124 ARG A NH2 981 N N . GLY A 126 ? 0.1557 0.1766 0.1755 -0.0025 0.0023 -0.0048 125 GLY A N 982 C CA . GLY A 126 ? 0.1651 0.1844 0.1863 -0.0033 0.0028 -0.0055 125 GLY A CA 983 C C . GLY A 126 ? 0.1658 0.1854 0.1889 -0.0019 0.0043 -0.0050 125 GLY A C 984 O O . GLY A 126 ? 0.1797 0.1982 0.2019 -0.0003 0.0054 -0.0044 125 GLY A O 985 N N . ALA A 127 ? 0.1661 0.1860 0.1907 -0.0026 0.0043 -0.0052 126 ALA A N 986 C CA . ALA A 127 ? 0.1592 0.1780 0.1844 -0.0015 0.0054 -0.0050 126 ALA A CA 987 C C . ALA A 127 ? 0.1597 0.1760 0.1852 -0.0026 0.0056 -0.0062 126 ALA A C 988 O O . ALA A 127 ? 0.1667 0.1833 0.1931 -0.0030 0.0054 -0.0063 126 ALA A O 989 C CB . ALA A 127 ? 0.1613 0.1837 0.1879 -0.0006 0.0055 -0.0037 126 ALA A CB 990 N N . PRO A 128 ? 0.1521 0.1666 0.1769 -0.0028 0.0059 -0.0068 127 PRO A N 991 C CA . PRO A 128 ? 0.1461 0.1599 0.1716 -0.0034 0.0061 -0.0073 127 PRO A CA 992 C C . PRO A 128 ? 0.1632 0.1758 0.1888 -0.0037 0.0064 -0.0072 127 PRO A C 993 O O . PRO A 128 ? 0.1459 0.1567 0.1700 -0.0033 0.0067 -0.0067 127 PRO A O 994 C CB . PRO A 128 ? 0.1521 0.1662 0.1771 -0.0031 0.0067 -0.0072 127 PRO A CB 995 C CG . PRO A 128 ? 0.1473 0.1610 0.1712 -0.0028 0.0071 -0.0066 127 PRO A CG 996 C CD . PRO A 128 ? 0.1502 0.1644 0.1738 -0.0024 0.0064 -0.0065 127 PRO A CD 997 N N . TYR A 129 ? 0.1634 0.1763 0.1900 -0.0042 0.0061 -0.0075 128 TYR A N 998 C CA . TYR A 129 ? 0.1598 0.1711 0.1856 -0.0049 0.0059 -0.0075 128 TYR A CA 999 C C . TYR A 129 ? 0.1584 0.1715 0.1856 -0.0057 0.0054 -0.0075 128 TYR A C 1000 O O . TYR A 129 ? 0.1503 0.1656 0.1787 -0.0049 0.0055 -0.0075 128 TYR A O 1001 C CB . TYR A 129 ? 0.1667 0.1769 0.1916 -0.0039 0.0059 -0.0076 128 TYR A CB 1002 C CG . TYR A 129 ? 0.1592 0.1713 0.1856 -0.0039 0.0056 -0.0077 128 TYR A CG 1003 C CD1 . TYR A 129 ? 0.1690 0.1826 0.1960 -0.0039 0.0054 -0.0074 128 TYR A CD1 1004 C CD2 . TYR A 129 ? 0.1692 0.1809 0.1956 -0.0041 0.0052 -0.0080 128 TYR A CD2 1005 C CE1 . TYR A 129 ? 0.1663 0.1802 0.1935 -0.0046 0.0049 -0.0074 128 TYR A CE1 1006 C CE2 . TYR A 129 ? 0.1668 0.1789 0.1936 -0.0042 0.0050 -0.0079 128 TYR A CE2 1007 C CZ . TYR A 129 ? 0.1683 0.1810 0.1952 -0.0047 0.0048 -0.0076 128 TYR A CZ 1008 O OH . TYR A 129 ? 0.1682 0.1799 0.1943 -0.0055 0.0043 -0.0075 128 TYR A OH 1009 N N . ASP A 130 ? 0.1708 0.1826 0.1970 -0.0070 0.0047 -0.0074 129 ASP A N 1010 C CA . ASP A 130 ? 0.1725 0.1874 0.2004 -0.0079 0.0040 -0.0071 129 ASP A CA 1011 C C . ASP A 130 ? 0.1762 0.1907 0.2040 -0.0065 0.0038 -0.0077 129 ASP A C 1012 O O . ASP A 130 ? 0.1699 0.1818 0.1958 -0.0068 0.0033 -0.0080 129 ASP A O 1013 C CB . ASP A 130 ? 0.1931 0.2066 0.2194 -0.0107 0.0027 -0.0067 129 ASP A CB 1014 C CG . ASP A 130 ? 0.2056 0.2243 0.2343 -0.0119 0.0016 -0.0057 129 ASP A CG 1015 O OD1 . ASP A 130 ? 0.2008 0.2231 0.2317 -0.0097 0.0020 -0.0056 129 ASP A OD1 1016 O OD2 . ASP A 130 ? 0.2325 0.2518 0.2606 -0.0153 0.0003 -0.0049 129 ASP A OD2 1017 N N . TRP A 131 ? 0.1694 0.1855 0.1983 -0.0049 0.0042 -0.0077 130 TRP A N 1018 C CA . TRP A 131 ? 0.1748 0.1894 0.2029 -0.0039 0.0041 -0.0080 130 TRP A CA 1019 C C . TRP A 131 ? 0.1822 0.1980 0.2104 -0.0036 0.0034 -0.0077 130 TRP A C 1020 O O . TRP A 131 ? 0.1841 0.1982 0.2111 -0.0027 0.0034 -0.0079 130 TRP A O 1021 C CB . TRP A 131 ? 0.1807 0.1944 0.2081 -0.0026 0.0046 -0.0082 130 TRP A CB 1022 C CG . TRP A 131 ? 0.1848 0.2007 0.2126 -0.0013 0.0052 -0.0079 130 TRP A CG 1023 C CD1 . TRP A 131 ? 0.1894 0.2054 0.2170 -0.0013 0.0057 -0.0079 130 TRP A CD1 1024 C CD2 . TRP A 131 ? 0.1872 0.2065 0.2158 0.0003 0.0054 -0.0071 130 TRP A CD2 1025 N NE1 . TRP A 131 ? 0.1958 0.2147 0.2237 0.0004 0.0065 -0.0072 130 TRP A NE1 1026 C CE2 . TRP A 131 ? 0.2006 0.2222 0.2295 0.0015 0.0064 -0.0065 130 TRP A CE2 1027 C CE3 . TRP A 131 ? 0.1900 0.2113 0.2192 0.0013 0.0050 -0.0065 130 TRP A CE3 1028 C CZ2 . TRP A 131 ? 0.1995 0.2260 0.2294 0.0040 0.0072 -0.0052 130 TRP A CZ2 1029 C CZ3 . TRP A 131 ? 0.2005 0.2270 0.2309 0.0037 0.0055 -0.0051 130 TRP A CZ3 1030 C CH2 . TRP A 131 ? 0.2028 0.2322 0.2337 0.0051 0.0068 -0.0044 130 TRP A CH2 1031 N N . ARG A 132 ? 0.1735 0.1926 0.2030 -0.0046 0.0027 -0.0071 131 ARG A N 1032 C CA . ARG A 132 ? 0.1886 0.2097 0.2182 -0.0048 0.0016 -0.0066 131 ARG A CA 1033 C C . ARG A 132 ? 0.2003 0.2172 0.2271 -0.0060 0.0008 -0.0073 131 ARG A C 1034 O O . ARG A 132 ? 0.2160 0.2330 0.2418 -0.0057 0.0000 -0.0072 131 ARG A O 1035 C CB . ARG A 132 ? 0.1866 0.2136 0.2186 -0.0064 0.0006 -0.0053 131 ARG A CB 1036 C CG . ARG A 132 ? 0.1881 0.2203 0.2227 -0.0043 0.0018 -0.0041 131 ARG A CG 1037 C CD . ARG A 132 ? 0.1888 0.2285 0.2265 -0.0065 0.0012 -0.0022 131 ARG A CD 1038 N NE . ARG A 132 ? 0.1904 0.2273 0.2272 -0.0104 0.0005 -0.0024 131 ARG A NE 1039 C CZ . ARG A 132 ? 0.2110 0.2519 0.2491 -0.0143 -0.0007 -0.0008 131 ARG A CZ 1040 N NH1 . ARG A 132 ? 0.2228 0.2728 0.2645 -0.0150 -0.0016 0.0013 131 ARG A NH1 1041 N NH2 . ARG A 132 ? 0.2087 0.2442 0.2440 -0.0178 -0.0013 -0.0012 131 ARG A NH2 1042 N N . ARG A 133 ? 0.1966 0.2098 0.2216 -0.0069 0.0012 -0.0079 132 ARG A N 1043 C CA . ARG A 133 ? 0.2196 0.2280 0.2405 -0.0072 0.0009 -0.0085 132 ARG A CA 1044 C C . ARG A 133 ? 0.2120 0.2187 0.2322 -0.0051 0.0023 -0.0087 132 ARG A C 1045 O O . ARG A 133 ? 0.2099 0.2182 0.2323 -0.0044 0.0033 -0.0085 132 ARG A O 1046 C CB . ARG A 133 ? 0.2510 0.2558 0.2691 -0.0090 0.0005 -0.0087 132 ARG A CB 1047 C CG . ARG A 133 ? 0.3071 0.3132 0.3250 -0.0123 -0.0015 -0.0082 132 ARG A CG 1048 C CD . ARG A 133 ? 0.3524 0.3548 0.3674 -0.0149 -0.0021 -0.0081 132 ARG A CD 1049 N NE . ARG A 133 ? 0.4051 0.4064 0.4174 -0.0190 -0.0047 -0.0076 132 ARG A NE 1050 C CZ . ARG A 133 ? 0.4558 0.4539 0.4653 -0.0229 -0.0060 -0.0071 132 ARG A CZ 1051 N NH1 . ARG A 133 ? 0.4707 0.4664 0.4796 -0.0228 -0.0046 -0.0069 132 ARG A NH1 1052 N NH2 . ARG A 133 ? 0.4822 0.4794 0.4889 -0.0274 -0.0088 -0.0066 132 ARG A NH2 1053 N N . ALA A 134 ? 0.2047 0.2083 0.2215 -0.0043 0.0024 -0.0089 133 ALA A N 1054 C CA . ALA A 134 ? 0.1905 0.1936 0.2065 -0.0023 0.0040 -0.0084 133 ALA A CA 1055 C C . ALA A 134 ? 0.1942 0.1943 0.2071 -0.0012 0.0049 -0.0085 133 ALA A C 1056 O O . ALA A 134 ? 0.2052 0.2019 0.2156 -0.0022 0.0041 -0.0091 133 ALA A O 1057 C CB . ALA A 134 ? 0.1941 0.1959 0.2075 -0.0014 0.0040 -0.0082 133 ALA A CB 1058 N N . PRO A 135 ? 0.1915 0.1930 0.2043 0.0009 0.0066 -0.0075 134 PRO A N 1059 C CA . PRO A 135 ? 0.1948 0.1942 0.2048 0.0030 0.0077 -0.0072 134 PRO A CA 1060 C C . PRO A 135 ? 0.2151 0.2066 0.2174 0.0043 0.0076 -0.0081 134 PRO A C 1061 O O . PRO A 135 ? 0.2358 0.2233 0.2347 0.0054 0.0080 -0.0082 134 PRO A O 1062 C CB . PRO A 135 ? 0.1913 0.1958 0.2031 0.0054 0.0095 -0.0054 134 PRO A CB 1063 C CG . PRO A 135 ? 0.1861 0.1954 0.2032 0.0028 0.0088 -0.0050 134 PRO A CG 1064 C CD . PRO A 135 ? 0.1906 0.1969 0.2068 0.0012 0.0074 -0.0063 134 PRO A CD 1065 N N . ASN A 136 ? 0.2243 0.2125 0.2230 0.0041 0.0068 -0.0087 135 ASN A N 1066 C CA . ASN A 136 ? 0.2528 0.2318 0.2426 0.0048 0.0062 -0.0097 135 ASN A CA 1067 C C . ASN A 136 ? 0.2668 0.2409 0.2543 0.0012 0.0041 -0.0107 135 ASN A C 1068 O O . ASN A 136 ? 0.2815 0.2461 0.2602 0.0016 0.0037 -0.0114 135 ASN A O 1069 C CB . ASN A 136 ? 0.2566 0.2332 0.2428 0.0047 0.0053 -0.0102 135 ASN A CB 1070 C CG . ASN A 136 ? 0.2594 0.2400 0.2504 0.0007 0.0030 -0.0106 135 ASN A CG 1071 O OD1 . ASN A 136 ? 0.2585 0.2458 0.2568 -0.0004 0.0030 -0.0100 135 ASN A OD1 1072 N ND2 . ASN A 136 ? 0.2848 0.2609 0.2708 -0.0010 0.0009 -0.0114 135 ASN A ND2 1073 N N . GLU A 137 ? 0.2570 0.2367 0.2512 -0.0020 0.0029 -0.0105 136 GLU A N 1074 C CA . GLU A 137 ? 0.2710 0.2482 0.2642 -0.0058 0.0012 -0.0108 136 GLU A CA 1075 C C . GLU A 137 ? 0.2640 0.2446 0.2616 -0.0058 0.0022 -0.0101 136 GLU A C 1076 O O . GLU A 137 ? 0.2754 0.2573 0.2750 -0.0091 0.0011 -0.0098 136 GLU A O 1077 C CB . GLU A 137 ? 0.2825 0.2641 0.2793 -0.0096 -0.0010 -0.0107 136 GLU A CB 1078 C CG . GLU A 137 ? 0.3292 0.3062 0.3203 -0.0102 -0.0026 -0.0114 136 GLU A CG 1079 C CD . GLU A 137 ? 0.3705 0.3526 0.3647 -0.0142 -0.0054 -0.0110 136 GLU A CD 1080 O OE1 . GLU A 137 ? 0.4731 0.4501 0.4619 -0.0179 -0.0079 -0.0112 136 GLU A OE1 1081 O OE2 . GLU A 137 ? 0.3430 0.3336 0.3443 -0.0136 -0.0051 -0.0102 136 GLU A OE2 1082 N N . ASN A 138 ? 0.2434 0.2258 0.2422 -0.0021 0.0043 -0.0096 137 ASN A N 1083 C CA . ASN A 138 ? 0.2355 0.2206 0.2373 -0.0017 0.0052 -0.0090 137 ASN A CA 1084 C C . ASN A 138 ? 0.2457 0.2268 0.2427 0.0022 0.0070 -0.0084 137 ASN A C 1085 O O . ASN A 138 ? 0.2386 0.2244 0.2391 0.0040 0.0081 -0.0075 137 ASN A O 1086 C CB . ASN A 138 ? 0.2257 0.2198 0.2356 -0.0018 0.0056 -0.0085 137 ASN A CB 1087 C CG . ASN A 138 ? 0.2383 0.2357 0.2522 -0.0049 0.0045 -0.0086 137 ASN A CG 1088 O OD1 . ASN A 138 ? 0.2805 0.2760 0.2933 -0.0066 0.0040 -0.0084 137 ASN A OD1 1089 N ND2 . ASN A 138 ? 0.2196 0.2219 0.2377 -0.0053 0.0042 -0.0085 137 ASN A ND2 1090 N N . GLY A 139 ? 0.2547 0.2266 0.2430 0.0037 0.0070 -0.0089 138 GLY A N 1091 C CA . GLY A 139 ? 0.2576 0.2241 0.2394 0.0086 0.0089 -0.0083 138 GLY A CA 1092 C C . GLY A 139 ? 0.2582 0.2246 0.2406 0.0088 0.0094 -0.0076 138 GLY A C 1093 O O . GLY A 139 ? 0.2455 0.2159 0.2293 0.0130 0.0111 -0.0063 138 GLY A O 1094 N N . PRO A 140 ? 0.2685 0.2306 0.2497 0.0044 0.0077 -0.0081 139 PRO A N 1095 C CA . PRO A 140 ? 0.2664 0.2277 0.2474 0.0046 0.0082 -0.0073 139 PRO A CA 1096 C C . PRO A 140 ? 0.2561 0.2291 0.2466 0.0054 0.0090 -0.0063 139 PRO A C 1097 O O . PRO A 140 ? 0.2585 0.2323 0.2483 0.0084 0.0102 -0.0053 139 PRO A O 1098 C CB . PRO A 140 ? 0.2937 0.2508 0.2733 -0.0014 0.0061 -0.0076 139 PRO A CB 1099 C CG . PRO A 140 ? 0.2920 0.2420 0.2656 -0.0034 0.0046 -0.0087 139 PRO A CG 1100 C CD . PRO A 140 ? 0.2922 0.2489 0.2702 -0.0006 0.0053 -0.0091 139 PRO A CD 1101 N N . TYR A 141 ? 0.2163 0.1974 0.2143 0.0031 0.0083 -0.0067 140 TYR A N 1102 C CA . TYR A 141 ? 0.2071 0.1975 0.2123 0.0037 0.0087 -0.0060 140 TYR A CA 1103 C C . TYR A 141 ? 0.1990 0.1932 0.2045 0.0081 0.0102 -0.0047 140 TYR A C 1104 O O . TYR A 141 ? 0.1994 0.1981 0.2073 0.0093 0.0106 -0.0037 140 TYR A O 1105 C CB . TYR A 141 ? 0.2009 0.1970 0.2119 0.0011 0.0078 -0.0066 140 TYR A CB 1106 C CG . TYR A 141 ? 0.1879 0.1915 0.2044 0.0015 0.0080 -0.0060 140 TYR A CG 1107 C CD1 . TYR A 141 ? 0.1864 0.1927 0.2056 0.0002 0.0076 -0.0060 140 TYR A CD1 1108 C CD2 . TYR A 141 ? 0.1925 0.2000 0.2108 0.0028 0.0084 -0.0054 140 TYR A CD2 1109 C CE1 . TYR A 141 ? 0.1829 0.1945 0.2056 0.0000 0.0073 -0.0056 140 TYR A CE1 1110 C CE2 . TYR A 141 ? 0.1832 0.1968 0.2058 0.0019 0.0080 -0.0048 140 TYR A CE2 1111 C CZ . TYR A 141 ? 0.1818 0.1967 0.2061 0.0004 0.0073 -0.0050 140 TYR A CZ 1112 O OH . TYR A 141 ? 0.1918 0.2111 0.2187 -0.0008 0.0065 -0.0046 140 TYR A OH 1113 N N . PHE A 142 ? 0.2105 0.2038 0.2135 0.0105 0.0110 -0.0045 141 PHE A N 1114 C CA . PHE A 142 ? 0.2090 0.2081 0.2131 0.0149 0.0126 -0.0026 141 PHE A CA 1115 C C . PHE A 142 ? 0.2282 0.2238 0.2269 0.0195 0.0140 -0.0014 141 PHE A C 1116 O O . PHE A 142 ? 0.2280 0.2311 0.2296 0.0224 0.0149 0.0005 141 PHE A O 1117 C CB . PHE A 142 ? 0.2149 0.2145 0.2176 0.0168 0.0135 -0.0023 141 PHE A CB 1118 C CG . PHE A 142 ? 0.2062 0.2103 0.2144 0.0129 0.0123 -0.0030 141 PHE A CG 1119 C CD1 . PHE A 142 ? 0.1975 0.2106 0.2127 0.0110 0.0118 -0.0019 141 PHE A CD1 1120 C CD2 . PHE A 142 ? 0.2174 0.2161 0.2230 0.0110 0.0114 -0.0046 141 PHE A CD2 1121 C CE1 . PHE A 142 ? 0.1909 0.2062 0.2096 0.0077 0.0108 -0.0025 141 PHE A CE1 1122 C CE2 . PHE A 142 ? 0.2067 0.2092 0.2168 0.0079 0.0104 -0.0050 141 PHE A CE2 1123 C CZ . PHE A 142 ? 0.1949 0.2052 0.2112 0.0065 0.0103 -0.0040 141 PHE A CZ 1124 N N . LEU A 143 ? 0.2487 0.2327 0.2391 0.0201 0.0140 -0.0025 142 LEU A N 1125 C CA . LEU A 143 ? 0.2728 0.2512 0.2566 0.0244 0.0152 -0.0014 142 LEU A CA 1126 C C . LEU A 143 ? 0.2400 0.2234 0.2286 0.0229 0.0147 -0.0007 142 LEU A C 1127 O O . LEU A 143 ? 0.2491 0.2365 0.2376 0.0271 0.0158 0.0011 142 LEU A O 1128 C CB . LEU A 143 ? 0.3074 0.2700 0.2798 0.0243 0.0150 -0.0028 142 LEU A CB 1129 C CG . LEU A 143 ? 0.3628 0.3178 0.3277 0.0263 0.0154 -0.0037 142 LEU A CG 1130 C CD1 . LEU A 143 ? 0.3964 0.3353 0.3504 0.0234 0.0139 -0.0054 142 LEU A CD1 1131 C CD2 . LEU A 143 ? 0.3882 0.3437 0.3483 0.0347 0.0183 -0.0018 142 LEU A CD2 1132 N N . ALA A 144 ? 0.2280 0.2118 0.2205 0.0172 0.0130 -0.0020 143 ALA A N 1133 C CA . ALA A 144 ? 0.2243 0.2124 0.2207 0.0156 0.0124 -0.0014 143 ALA A CA 1134 C C . ALA A 144 ? 0.2082 0.2083 0.2119 0.0165 0.0123 -0.0002 143 ALA A C 1135 O O . ALA A 144 ? 0.2069 0.2109 0.2118 0.0178 0.0123 0.0009 143 ALA A O 1136 C CB . ALA A 144 ? 0.2325 0.2196 0.2316 0.0099 0.0110 -0.0028 143 ALA A CB 1137 N N . LEU A 145 ? 0.2014 0.2072 0.2097 0.0151 0.0119 -0.0005 144 LEU A N 1138 C CA . LEU A 145 ? 0.1928 0.2095 0.2075 0.0147 0.0114 0.0008 144 LEU A CA 1139 C C . LEU A 145 ? 0.1973 0.2194 0.2114 0.0199 0.0127 0.0034 144 LEU A C 1140 O O . LEU A 145 ? 0.1802 0.2099 0.1976 0.0202 0.0121 0.0050 144 LEU A O 1141 C CB . LEU A 145 ? 0.1918 0.2119 0.2103 0.0122 0.0108 0.0002 144 LEU A CB 1142 C CG . LEU A 145 ? 0.1926 0.2228 0.2169 0.0106 0.0100 0.0017 144 LEU A CG 1143 C CD1 . LEU A 145 ? 0.1966 0.2292 0.2233 0.0075 0.0082 0.0014 144 LEU A CD1 1144 C CD2 . LEU A 145 ? 0.2015 0.2324 0.2278 0.0081 0.0096 0.0012 144 LEU A CD2 1145 N N . ARG A 146 ? 0.2087 0.2272 0.2180 0.0243 0.0145 0.0041 145 ARG A N 1146 C CA . ARG A 146 ? 0.2214 0.2452 0.2292 0.0306 0.0163 0.0070 145 ARG A CA 1147 C C . ARG A 146 ? 0.2193 0.2409 0.2239 0.0333 0.0165 0.0079 145 ARG A C 1148 O O . ARG A 146 ? 0.2071 0.2384 0.2149 0.0358 0.0166 0.0104 145 ARG A O 1149 C CB . ARG A 146 ? 0.2553 0.2726 0.2560 0.0358 0.0186 0.0072 145 ARG A CB 1150 C CG . ARG A 146 ? 0.2895 0.3120 0.2876 0.0437 0.0210 0.0105 145 ARG A CG 1151 C CD . ARG A 146 ? 0.3431 0.3577 0.3326 0.0494 0.0235 0.0105 145 ARG A CD 1152 N NE . ARG A 146 ? 0.3737 0.3894 0.3575 0.0586 0.0262 0.0135 145 ARG A NE 1153 C CZ . ARG A 146 ? 0.4132 0.4384 0.3977 0.0649 0.0287 0.0167 145 ARG A CZ 1154 N NH1 . ARG A 146 ? 0.4219 0.4569 0.4130 0.0628 0.0289 0.0177 145 ARG A NH1 1155 N NH2 . ARG A 146 ? 0.4168 0.4421 0.3953 0.0740 0.0313 0.0195 145 ARG A NH2 1156 N N A GLU A 147 ? 0.2277 0.2369 0.2259 0.0325 0.0164 0.0060 146 GLU A N 1157 N N B GLU A 147 ? 0.2321 0.2412 0.2302 0.0325 0.0164 0.0059 146 GLU A N 1158 C CA A GLU A 147 ? 0.2432 0.2485 0.2374 0.0347 0.0166 0.0067 146 GLU A CA 1159 C CA B GLU A 147 ? 0.2482 0.2536 0.2424 0.0347 0.0166 0.0067 146 GLU A CA 1160 C C A GLU A 147 ? 0.2269 0.2409 0.2279 0.0313 0.0148 0.0072 146 GLU A C 1161 C C B GLU A 147 ? 0.2300 0.2441 0.2310 0.0313 0.0148 0.0072 146 GLU A C 1162 O O A GLU A 147 ? 0.2189 0.2371 0.2195 0.0346 0.0150 0.0092 146 GLU A O 1163 O O B GLU A 147 ? 0.2214 0.2397 0.2220 0.0346 0.0150 0.0092 146 GLU A O 1164 C CB A GLU A 147 ? 0.2679 0.2579 0.2538 0.0330 0.0166 0.0047 146 GLU A CB 1165 C CB B GLU A 147 ? 0.2801 0.2700 0.2658 0.0332 0.0167 0.0048 146 GLU A CB 1166 C CG A GLU A 147 ? 0.3027 0.2869 0.2834 0.0348 0.0169 0.0056 146 GLU A CG 1167 C CG B GLU A 147 ? 0.3241 0.3029 0.3000 0.0376 0.0183 0.0046 146 GLU A CG 1168 C CD A GLU A 147 ? 0.3333 0.3147 0.3068 0.0431 0.0190 0.0079 146 GLU A CD 1169 C CD B GLU A 147 ? 0.3813 0.3440 0.3483 0.0343 0.0176 0.0026 146 GLU A CD 1170 O OE1 A GLU A 147 ? 0.3625 0.3461 0.3344 0.0479 0.0205 0.0089 146 GLU A OE1 1171 O OE1 B GLU A 147 ? 0.4268 0.3890 0.3973 0.0278 0.0159 0.0013 146 GLU A OE1 1172 O OE2 A GLU A 147 ? 0.3796 0.3568 0.3485 0.0453 0.0193 0.0090 146 GLU A OE2 1173 O OE2 B GLU A 147 ? 0.4376 0.3881 0.3935 0.0383 0.0188 0.0026 146 GLU A OE2 1174 N N . MET A 148 ? 0.2110 0.2273 0.2173 0.0251 0.0131 0.0053 147 MET A N 1175 C CA . MET A 148 ? 0.2075 0.2301 0.2186 0.0219 0.0113 0.0054 147 MET A CA 1176 C C . MET A 148 ? 0.1901 0.2256 0.2065 0.0230 0.0106 0.0078 147 MET A C 1177 O O . MET A 148 ? 0.1795 0.2200 0.1969 0.0234 0.0095 0.0091 147 MET A O 1178 C CB . MET A 148 ? 0.2077 0.2291 0.2221 0.0160 0.0099 0.0030 147 MET A CB 1179 C CG . MET A 148 ? 0.2255 0.2514 0.2429 0.0130 0.0082 0.0028 147 MET A CG 1180 S SD . MET A 148 ? 0.2500 0.2720 0.2687 0.0079 0.0073 0.0001 147 MET A SD 1181 C CE . MET A 148 ? 0.2297 0.2558 0.2524 0.0058 0.0065 -0.0002 147 MET A CE 1182 N N . ILE A 149 ? 0.1852 0.2263 0.2047 0.0232 0.0109 0.0087 148 ILE A N 1183 C CA . ILE A 149 ? 0.1758 0.2305 0.2006 0.0237 0.0101 0.0117 148 ILE A CA 1184 C C . ILE A 149 ? 0.1851 0.2448 0.2081 0.0302 0.0114 0.0148 148 ILE A C 1185 O O . ILE A 149 ? 0.1746 0.2442 0.2011 0.0299 0.0099 0.0171 148 ILE A O 1186 C CB . ILE A 149 ? 0.1824 0.2418 0.2104 0.0229 0.0108 0.0124 148 ILE A CB 1187 C CG1 . ILE A 149 ? 0.1797 0.2368 0.2105 0.0161 0.0088 0.0099 148 ILE A CG1 1188 C CG2 . ILE A 149 ? 0.1873 0.2620 0.2205 0.0244 0.0106 0.0165 148 ILE A CG2 1189 C CD1 . ILE A 149 ? 0.1802 0.2381 0.2124 0.0153 0.0096 0.0099 148 ILE A CD1 1190 N N . GLU A 150 ? 0.2012 0.2535 0.2178 0.0362 0.0141 0.0151 149 GLU A N 1191 C CA . GLU A 150 ? 0.2209 0.2760 0.2339 0.0437 0.0157 0.0181 149 GLU A CA 1192 C C . GLU A 150 ? 0.2121 0.2651 0.2232 0.0434 0.0145 0.0181 149 GLU A C 1193 O O . GLU A 150 ? 0.2154 0.2780 0.2282 0.0468 0.0142 0.0212 149 GLU A O 1194 C CB . GLU A 150 ? 0.2488 0.2924 0.2526 0.0502 0.0188 0.0178 149 GLU A CB 1195 C CG . GLU A 150 ? 0.2684 0.3158 0.2734 0.0521 0.0203 0.0186 149 GLU A CG 1196 C CD . GLU A 150 ? 0.3261 0.3611 0.3202 0.0592 0.0233 0.0184 149 GLU A CD 1197 O OE1 . GLU A 150 ? 0.3163 0.3539 0.3096 0.0627 0.0252 0.0194 149 GLU A OE1 1198 O OE2 . GLU A 150 ? 0.3782 0.3997 0.3635 0.0614 0.0238 0.0171 149 GLU A OE2 1199 N N A GLU A 151 ? 0.2167 0.2580 0.2245 0.0394 0.0138 0.0149 150 GLU A N 1200 N N B GLU A 151 ? 0.2048 0.2462 0.2127 0.0394 0.0138 0.0149 150 GLU A N 1201 C CA A GLU A 151 ? 0.2285 0.2671 0.2343 0.0387 0.0128 0.0147 150 GLU A CA 1202 C CA B GLU A 151 ? 0.2088 0.2473 0.2146 0.0387 0.0128 0.0147 150 GLU A CA 1203 C C A GLU A 151 ? 0.2098 0.2605 0.2225 0.0348 0.0100 0.0157 150 GLU A C 1204 C C B GLU A 151 ? 0.1990 0.2498 0.2117 0.0348 0.0100 0.0157 150 GLU A C 1205 O O A GLU A 151 ? 0.2084 0.2640 0.2206 0.0371 0.0092 0.0176 150 GLU A O 1206 O O B GLU A 151 ? 0.1987 0.2544 0.2110 0.0371 0.0092 0.0176 150 GLU A O 1207 C CB A GLU A 151 ? 0.2497 0.2750 0.2514 0.0346 0.0127 0.0116 150 GLU A CB 1208 C CB B GLU A 151 ? 0.2126 0.2380 0.2145 0.0344 0.0127 0.0115 150 GLU A CB 1209 C CG A GLU A 151 ? 0.2763 0.2881 0.2694 0.0377 0.0148 0.0109 150 GLU A CG 1210 C CG B GLU A 151 ? 0.2128 0.2364 0.2135 0.0326 0.0116 0.0112 150 GLU A CG 1211 C CD A GLU A 151 ? 0.3046 0.3055 0.2951 0.0324 0.0144 0.0082 150 GLU A CD 1212 C CD B GLU A 151 ? 0.2179 0.2305 0.2155 0.0284 0.0117 0.0088 150 GLU A CD 1213 O OE1 A GLU A 151 ? 0.3150 0.3194 0.3109 0.0269 0.0129 0.0066 150 GLU A OE1 1214 O OE1 B GLU A 151 ? 0.2391 0.2413 0.2309 0.0293 0.0132 0.0082 150 GLU A OE1 1215 O OE2 A GLU A 151 ? 0.3622 0.3508 0.3445 0.0339 0.0156 0.0078 150 GLU A OE2 1216 O OE2 B GLU A 151 ? 0.1836 0.1976 0.1835 0.0243 0.0104 0.0077 150 GLU A OE2 1217 N N . MET A 152 ? 0.1934 0.2486 0.2116 0.0291 0.0083 0.0144 151 MET A N 1218 C CA . MET A 152 ? 0.1871 0.2517 0.2103 0.0244 0.0052 0.0149 151 MET A CA 1219 C C . MET A 152 ? 0.1876 0.2669 0.2148 0.0272 0.0045 0.0191 151 MET A C 1220 O O . MET A 152 ? 0.1767 0.2633 0.2054 0.0260 0.0021 0.0207 151 MET A O 1221 C CB . MET A 152 ? 0.1834 0.2475 0.2100 0.0180 0.0037 0.0128 151 MET A CB 1222 C CG . MET A 152 ? 0.1922 0.2442 0.2156 0.0153 0.0040 0.0091 151 MET A CG 1223 S SD . MET A 152 ? 0.1972 0.2475 0.2235 0.0093 0.0028 0.0067 151 MET A SD 1224 C CE . MET A 152 ? 0.1889 0.2436 0.2161 0.0044 -0.0007 0.0066 151 MET A CE 1225 N N . TYR A 153 ? 0.1875 0.2718 0.2162 0.0311 0.0065 0.0212 152 TYR A N 1226 C CA . TYR A 153 ? 0.1956 0.2960 0.2287 0.0346 0.0063 0.0259 152 TYR A CA 1227 C C . TYR A 153 ? 0.2063 0.3081 0.2356 0.0411 0.0070 0.0282 152 TYR A C 1228 O O . TYR A 153 ? 0.2038 0.3187 0.2369 0.0411 0.0049 0.0314 152 TYR A O 1229 C CB . TYR A 153 ? 0.1998 0.3033 0.2336 0.0390 0.0093 0.0277 152 TYR A CB 1230 C CG . TYR A 153 ? 0.2112 0.3309 0.2483 0.0451 0.0103 0.0331 152 TYR A CG 1231 C CD1 . TYR A 153 ? 0.2286 0.3468 0.2602 0.0546 0.0131 0.0353 152 TYR A CD1 1232 C CD2 . TYR A 153 ? 0.2244 0.3613 0.2700 0.0413 0.0086 0.0366 152 TYR A CD2 1233 C CE1 . TYR A 153 ? 0.2471 0.3815 0.2819 0.0612 0.0144 0.0408 152 TYR A CE1 1234 C CE2 . TYR A 153 ? 0.2328 0.3871 0.2824 0.0470 0.0097 0.0423 152 TYR A CE2 1235 C CZ . TYR A 153 ? 0.2485 0.4019 0.2929 0.0573 0.0127 0.0444 152 TYR A CZ 1236 O OH . TYR A 153 ? 0.2738 0.4454 0.3221 0.0638 0.0140 0.0504 152 TYR A OH 1237 N N . GLN A 154 ? 0.2286 0.3168 0.2500 0.0463 0.0097 0.0268 153 GLN A N 1238 C CA . GLN A 154 ? 0.2607 0.3475 0.2768 0.0531 0.0107 0.0289 153 GLN A CA 1239 C C . GLN A 154 ? 0.2373 0.3234 0.2531 0.0493 0.0080 0.0280 153 GLN A C 1240 O O . GLN A 154 ? 0.2215 0.3165 0.2378 0.0526 0.0071 0.0311 153 GLN A O 1241 C CB . GLN A 154 ? 0.3255 0.3950 0.3316 0.0586 0.0141 0.0273 153 GLN A CB 1242 C CG . GLN A 154 ? 0.4255 0.4934 0.4288 0.0643 0.0171 0.0283 153 GLN A CG 1243 C CD . GLN A 154 ? 0.5625 0.6106 0.5540 0.0686 0.0199 0.0263 153 GLN A CD 1244 O OE1 . GLN A 154 ? 0.6373 0.6719 0.6254 0.0634 0.0193 0.0226 153 GLN A OE1 1245 N NE2 . GLN A 154 ? 0.6582 0.7044 0.6428 0.0783 0.0228 0.0290 153 GLN A NE2 1246 N N . LEU A 155 ? 0.2067 0.2830 0.2217 0.0427 0.0068 0.0240 154 LEU A N 1247 C CA . LEU A 155 ? 0.2138 0.2885 0.2276 0.0392 0.0045 0.0230 154 LEU A CA 1248 C C . LEU A 155 ? 0.2045 0.2934 0.2244 0.0349 0.0007 0.0246 154 LEU A C 1249 O O . LEU A 155 ? 0.2121 0.3059 0.2311 0.0359 -0.0010 0.0263 154 LEU A O 1250 C CB . LEU A 155 ? 0.2028 0.2650 0.2145 0.0336 0.0043 0.0186 154 LEU A CB 1251 C CG . LEU A 155 ? 0.2171 0.2644 0.2218 0.0362 0.0072 0.0171 154 LEU A CG 1252 C CD1 . LEU A 155 ? 0.2209 0.2598 0.2256 0.0302 0.0070 0.0135 154 LEU A CD1 1253 C CD2 . LEU A 155 ? 0.2349 0.2780 0.2337 0.0401 0.0077 0.0185 154 LEU A CD2 1254 N N . TYR A 156 ? 0.1954 0.2901 0.2209 0.0295 -0.0008 0.0241 155 TYR A N 1255 C CA . TYR A 156 ? 0.2003 0.3049 0.2300 0.0230 -0.0051 0.0249 155 TYR A CA 1256 C C . TYR A 156 ? 0.2146 0.3374 0.2507 0.0240 -0.0064 0.0297 155 TYR A C 1257 O O . TYR A 156 ? 0.2299 0.3620 0.2692 0.0183 -0.0103 0.0310 155 TYR A O 1258 C CB . TYR A 156 ? 0.1881 0.2860 0.2185 0.0154 -0.0066 0.0212 155 TYR A CB 1259 C CG . TYR A 156 ? 0.1754 0.2572 0.2001 0.0154 -0.0047 0.0171 155 TYR A CG 1260 C CD1 . TYR A 156 ? 0.1813 0.2575 0.2012 0.0161 -0.0053 0.0162 155 TYR A CD1 1261 C CD2 . TYR A 156 ? 0.1656 0.2391 0.1901 0.0148 -0.0026 0.0147 155 TYR A CD2 1262 C CE1 . TYR A 156 ? 0.1822 0.2454 0.1975 0.0161 -0.0034 0.0131 155 TYR A CE1 1263 C CE2 . TYR A 156 ? 0.1736 0.2346 0.1937 0.0146 -0.0010 0.0117 155 TYR A CE2 1264 C CZ . TYR A 156 ? 0.1778 0.2342 0.1936 0.0153 -0.0013 0.0111 155 TYR A CZ 1265 O OH . TYR A 156 ? 0.1765 0.2221 0.1886 0.0149 0.0003 0.0087 155 TYR A OH 1266 N N . GLY A 157 ? 0.2146 0.3423 0.2518 0.0310 -0.0031 0.0325 156 GLY A N 1267 C CA . GLY A 157 ? 0.2204 0.3674 0.2635 0.0339 -0.0037 0.0380 156 GLY A CA 1268 C C . GLY A 157 ? 0.2256 0.3845 0.2761 0.0289 -0.0049 0.0400 156 GLY A C 1269 O O . GLY A 157 ? 0.2249 0.4022 0.2816 0.0285 -0.0066 0.0449 156 GLY A O 1270 N N . GLY A 158 ? 0.2078 0.3574 0.2581 0.0252 -0.0038 0.0368 157 GLY A N 1271 C CA . GLY A 158 ? 0.2128 0.3727 0.2694 0.0212 -0.0042 0.0389 157 GLY A CA 1272 C C . GLY A 158 ? 0.2026 0.3498 0.2575 0.0187 -0.0025 0.0349 157 GLY A C 1273 O O . GLY A 158 ? 0.1923 0.3228 0.2413 0.0191 -0.0014 0.0304 157 GLY A O 1274 N N . PRO A 159 ? 0.1874 0.3429 0.2473 0.0161 -0.0022 0.0370 158 PRO A N 1275 C CA . PRO A 159 ? 0.1830 0.3277 0.2412 0.0143 -0.0004 0.0338 158 PRO A CA 1276 C C . PRO A 159 ? 0.1843 0.3172 0.2403 0.0058 -0.0033 0.0293 158 PRO A C 1277 O O . PRO A 159 ? 0.1766 0.3122 0.2332 -0.0001 -0.0072 0.0294 158 PRO A O 1278 C CB . PRO A 159 ? 0.1860 0.3452 0.2505 0.0136 0.0002 0.0381 158 PRO A CB 1279 C CG . PRO A 159 ? 0.1864 0.3645 0.2569 0.0111 -0.0026 0.0433 158 PRO A CG 1280 C CD . PRO A 159 ? 0.1916 0.3683 0.2589 0.0159 -0.0030 0.0431 158 PRO A CD 1281 N N . VAL A 160 ? 0.1866 0.3066 0.2394 0.0060 -0.0014 0.0257 159 VAL A N 1282 C CA . VAL A 160 ? 0.1960 0.3028 0.2454 0.0003 -0.0031 0.0211 159 VAL A CA 1283 C C . VAL A 160 ? 0.1810 0.2889 0.2326 -0.0063 -0.0047 0.0211 159 VAL A C 1284 O O . VAL A 160 ? 0.1793 0.2940 0.2344 -0.0056 -0.0032 0.0235 159 VAL A O 1285 C CB . VAL A 160 ? 0.2177 0.3096 0.2621 0.0040 -0.0003 0.0172 159 VAL A CB 1286 C CG1 . VAL A 160 ? 0.2430 0.3326 0.2841 0.0106 0.0015 0.0175 159 VAL A CG1 1287 C CG2 . VAL A 160 ? 0.2546 0.3440 0.2994 0.0055 0.0021 0.0168 159 VAL A CG2 1288 N N . VAL A 161 ? 0.1721 0.2719 0.2207 -0.0124 -0.0076 0.0184 160 VAL A N 1289 C CA . VAL A 161 ? 0.1727 0.2688 0.2210 -0.0185 -0.0090 0.0176 160 VAL A CA 1290 C C . VAL A 161 ? 0.1752 0.2567 0.2192 -0.0169 -0.0071 0.0132 160 VAL A C 1291 O O . VAL A 161 ? 0.1745 0.2470 0.2143 -0.0158 -0.0072 0.0102 160 VAL A O 1292 C CB . VAL A 161 ? 0.1717 0.2674 0.2178 -0.0264 -0.0137 0.0176 160 VAL A CB 1293 C CG1 . VAL A 161 ? 0.1773 0.2653 0.2208 -0.0323 -0.0150 0.0162 160 VAL A CG1 1294 C CG2 . VAL A 161 ? 0.1777 0.2899 0.2289 -0.0289 -0.0160 0.0225 160 VAL A CG2 1295 N N . LEU A 162 ? 0.1707 0.2509 0.2158 -0.0165 -0.0052 0.0132 161 LEU A N 1296 C CA . LEU A 162 ? 0.1817 0.2498 0.2233 -0.0155 -0.0038 0.0097 161 LEU A CA 1297 C C . LEU A 162 ? 0.1810 0.2427 0.2197 -0.0216 -0.0062 0.0083 161 LEU A C 1298 O O . LEU A 162 ? 0.1767 0.2436 0.2172 -0.0261 -0.0077 0.0107 161 LEU A O 1299 C CB . LEU A 162 ? 0.1957 0.2653 0.2392 -0.0119 -0.0007 0.0104 161 LEU A CB 1300 C CG . LEU A 162 ? 0.2107 0.2848 0.2552 -0.0052 0.0019 0.0119 161 LEU A CG 1301 C CD1 . LEU A 162 ? 0.2237 0.2993 0.2689 -0.0017 0.0046 0.0130 161 LEU A CD1 1302 C CD2 . LEU A 162 ? 0.2417 0.3064 0.2823 -0.0021 0.0027 0.0089 161 LEU A CD2 1303 N N . VAL A 163 ? 0.1720 0.2224 0.2058 -0.0217 -0.0065 0.0049 162 VAL A N 1304 C CA . VAL A 163 ? 0.1735 0.2154 0.2025 -0.0262 -0.0085 0.0033 162 VAL A CA 1305 C C . VAL A 163 ? 0.1707 0.2040 0.1977 -0.0231 -0.0062 0.0008 162 VAL A C 1306 O O . VAL A 163 ? 0.1835 0.2127 0.2091 -0.0195 -0.0048 -0.0011 162 VAL A O 1307 C CB . VAL A 163 ? 0.1867 0.2227 0.2102 -0.0286 -0.0111 0.0018 162 VAL A CB 1308 C CG1 . VAL A 163 ? 0.1955 0.2204 0.2120 -0.0328 -0.0130 0.0001 162 VAL A CG1 1309 C CG2 . VAL A 163 ? 0.1937 0.2390 0.2193 -0.0317 -0.0137 0.0044 162 VAL A CG2 1310 N N . ALA A 164 ? 0.1703 0.2018 0.1973 -0.0245 -0.0058 0.0011 163 ALA A N 1311 C CA . ALA A 164 ? 0.1695 0.1946 0.1951 -0.0215 -0.0038 -0.0007 163 ALA A CA 1312 C C . ALA A 164 ? 0.1777 0.1939 0.1981 -0.0242 -0.0050 -0.0018 163 ALA A C 1313 O O . ALA A 164 ? 0.1745 0.1904 0.1932 -0.0289 -0.0069 -0.0003 163 ALA A O 1314 C CB . ALA A 164 ? 0.1693 0.2000 0.1993 -0.0190 -0.0016 0.0006 163 ALA A CB 1315 N N . HIS A 165 ? 0.1784 0.1875 0.1958 -0.0211 -0.0038 -0.0040 164 HIS A N 1316 C CA . HIS A 165 ? 0.1890 0.1887 0.2004 -0.0221 -0.0045 -0.0051 164 HIS A CA 1317 C C . HIS A 165 ? 0.1868 0.1858 0.1997 -0.0192 -0.0025 -0.0053 164 HIS A C 1318 O O . HIS A 165 ? 0.1629 0.1652 0.1793 -0.0155 -0.0008 -0.0059 164 HIS A O 1319 C CB . HIS A 165 ? 0.2066 0.1982 0.2120 -0.0202 -0.0048 -0.0073 164 HIS A CB 1320 C CG . HIS A 165 ? 0.2171 0.1979 0.2148 -0.0200 -0.0052 -0.0083 164 HIS A CG 1321 N ND1 . HIS A 165 ? 0.2371 0.2136 0.2325 -0.0151 -0.0034 -0.0097 164 HIS A ND1 1322 C CD2 . HIS A 165 ? 0.2300 0.2030 0.2213 -0.0239 -0.0072 -0.0079 164 HIS A CD2 1323 C CE1 . HIS A 165 ? 0.2437 0.2101 0.2312 -0.0152 -0.0040 -0.0102 164 HIS A CE1 1324 N NE2 . HIS A 165 ? 0.2456 0.2087 0.2299 -0.0207 -0.0064 -0.0093 164 HIS A NE2 1325 N N . SER A 166 ? 0.1903 0.1851 0.2002 -0.0213 -0.0031 -0.0046 165 SER A N 1326 C CA . SER A 166 ? 0.2000 0.1926 0.2098 -0.0187 -0.0016 -0.0049 165 SER A CA 1327 C C . SER A 166 ? 0.1881 0.1889 0.2043 -0.0164 0.0000 -0.0042 165 SER A C 1328 O O . SER A 166 ? 0.1842 0.1917 0.2041 -0.0180 0.0001 -0.0024 165 SER A O 1329 C CB . SER A 166 ? 0.2170 0.2025 0.2222 -0.0149 -0.0011 -0.0069 165 SER A CB 1330 O OG . SER A 166 ? 0.2621 0.2438 0.2651 -0.0131 -0.0004 -0.0068 165 SER A OG 1331 N N . MET A 167 ? 0.1833 0.1838 0.2004 -0.0127 0.0013 -0.0053 166 MET A N 1332 C CA . MET A 167 ? 0.1947 0.2007 0.2158 -0.0108 0.0026 -0.0049 166 MET A CA 1333 C C . MET A 167 ? 0.1736 0.1853 0.1981 -0.0106 0.0030 -0.0044 166 MET A C 1334 O O . MET A 167 ? 0.1724 0.1880 0.1990 -0.0093 0.0041 -0.0036 166 MET A O 1335 C CB . MET A 167 ? 0.2169 0.2214 0.2378 -0.0077 0.0032 -0.0062 166 MET A CB 1336 C CG . MET A 167 ? 0.2423 0.2502 0.2656 -0.0063 0.0041 -0.0061 166 MET A CG 1337 S SD . MET A 167 ? 0.2413 0.2481 0.2641 -0.0041 0.0040 -0.0071 166 MET A SD 1338 C CE . MET A 167 ? 0.2278 0.2367 0.2524 -0.0038 0.0041 -0.0078 166 MET A CE 1339 N N . GLY A 168 ? 0.1636 0.1752 0.1878 -0.0113 0.0023 -0.0049 167 GLY A N 1340 C CA . GLY A 168 ? 0.1618 0.1787 0.1887 -0.0108 0.0026 -0.0042 167 GLY A CA 1341 C C . GLY A 168 ? 0.1585 0.1816 0.1879 -0.0121 0.0027 -0.0018 167 GLY A C 1342 O O . GLY A 168 ? 0.1691 0.1972 0.2006 -0.0102 0.0036 -0.0008 167 GLY A O 1343 N N . ASN A 169 ? 0.1664 0.1892 0.1950 -0.0152 0.0018 -0.0006 168 ASN A N 1344 C CA . ASN A 169 ? 0.1678 0.1981 0.1992 -0.0168 0.0020 0.0022 168 ASN A CA 1345 C C . ASN A 169 ? 0.1745 0.2079 0.2074 -0.0135 0.0042 0.0031 168 ASN A C 1346 O O . ASN A 169 ? 0.1642 0.2052 0.1999 -0.0121 0.0054 0.0054 168 ASN A O 1347 C CB . ASN A 169 ? 0.1725 0.2009 0.2021 -0.0217 0.0003 0.0035 168 ASN A CB 1348 C CG . ASN A 169 ? 0.1840 0.2099 0.2112 -0.0256 -0.0021 0.0032 168 ASN A CG 1349 O OD1 . ASN A 169 ? 0.1842 0.2174 0.2141 -0.0276 -0.0031 0.0051 168 ASN A OD1 1350 N ND2 . ASN A 169 ? 0.1818 0.1974 0.2033 -0.0265 -0.0033 0.0010 168 ASN A ND2 1351 N N . MET A 170 ? 0.1852 0.2127 0.2158 -0.0118 0.0049 0.0014 169 MET A N 1352 C CA . MET A 170 ? 0.1935 0.2220 0.2240 -0.0087 0.0067 0.0018 169 MET A CA 1353 C C . MET A 170 ? 0.1773 0.2060 0.2075 -0.0049 0.0078 0.0008 169 MET A C 1354 O O . MET A 170 ? 0.1715 0.2031 0.2014 -0.0019 0.0094 0.0020 169 MET A O 1355 C CB . MET A 170 ? 0.2150 0.2373 0.2427 -0.0085 0.0065 0.0004 169 MET A CB 1356 C CG . MET A 170 ? 0.2518 0.2733 0.2785 -0.0117 0.0059 0.0020 169 MET A CG 1357 S SD . MET A 170 ? 0.3195 0.3478 0.3477 -0.0109 0.0079 0.0051 169 MET A SD 1358 C CE . MET A 170 ? 0.3411 0.3639 0.3658 -0.0072 0.0089 0.0034 169 MET A CE 1359 N N . TYR A 171 ? 0.1718 0.1970 0.2014 -0.0048 0.0070 -0.0010 170 TYR A N 1360 C CA . TYR A 171 ? 0.1679 0.1927 0.1967 -0.0020 0.0078 -0.0016 170 TYR A CA 1361 C C . TYR A 171 ? 0.1733 0.2047 0.2039 -0.0006 0.0086 0.0006 170 TYR A C 1362 O O . TYR A 171 ? 0.1740 0.2059 0.2029 0.0030 0.0101 0.0012 170 TYR A O 1363 C CB . TYR A 171 ? 0.1661 0.1873 0.1945 -0.0028 0.0068 -0.0034 170 TYR A CB 1364 C CG . TYR A 171 ? 0.1746 0.1909 0.2010 -0.0021 0.0067 -0.0051 170 TYR A CG 1365 C CD1 . TYR A 171 ? 0.1766 0.1908 0.2024 -0.0030 0.0062 -0.0057 170 TYR A CD1 1366 C CD2 . TYR A 171 ? 0.1891 0.2027 0.2135 -0.0008 0.0071 -0.0057 170 TYR A CD2 1367 C CE1 . TYR A 171 ? 0.1859 0.1971 0.2102 -0.0027 0.0058 -0.0069 170 TYR A CE1 1368 C CE2 . TYR A 171 ? 0.2030 0.2127 0.2254 -0.0012 0.0066 -0.0069 170 TYR A CE2 1369 C CZ . TYR A 171 ? 0.1930 0.2023 0.2157 -0.0022 0.0059 -0.0073 170 TYR A CZ 1370 O OH . TYR A 171 ? 0.1969 0.2037 0.2180 -0.0030 0.0051 -0.0081 170 TYR A OH 1371 N N . THR A 172 ? 0.1692 0.2054 0.2026 -0.0034 0.0074 0.0018 171 THR A N 1372 C CA . THR A 172 ? 0.1706 0.2151 0.2065 -0.0026 0.0077 0.0044 171 THR A CA 1373 C C . THR A 172 ? 0.1793 0.2306 0.2166 -0.0006 0.0095 0.0074 171 THR A C 1374 O O . THR A 172 ? 0.1789 0.2353 0.2164 0.0035 0.0111 0.0092 171 THR A O 1375 C CB . THR A 172 ? 0.1823 0.2300 0.2202 -0.0071 0.0054 0.0052 171 THR A CB 1376 O OG1 . THR A 172 ? 0.1718 0.2130 0.2076 -0.0078 0.0042 0.0025 171 THR A OG1 1377 C CG2 . THR A 172 ? 0.1882 0.2461 0.2292 -0.0064 0.0053 0.0082 171 THR A CG2 1378 N N . LEU A 173 ? 0.1748 0.2261 0.2124 -0.0030 0.0094 0.0080 172 LEU A N 1379 C CA . LEU A 173 ? 0.1928 0.2508 0.2315 -0.0010 0.0114 0.0109 172 LEU A CA 1380 C C . LEU A 173 ? 0.1860 0.2402 0.2206 0.0051 0.0139 0.0101 172 LEU A C 1381 O O . LEU A 173 ? 0.1746 0.2349 0.2092 0.0095 0.0161 0.0127 172 LEU A O 1382 C CB . LEU A 173 ? 0.2055 0.2625 0.2444 -0.0049 0.0108 0.0115 172 LEU A CB 1383 C CG . LEU A 173 ? 0.2173 0.2814 0.2572 -0.0032 0.0130 0.0149 172 LEU A CG 1384 C CD1 . LEU A 173 ? 0.2098 0.2876 0.2546 -0.0033 0.0136 0.0194 172 LEU A CD1 1385 C CD2 . LEU A 173 ? 0.2279 0.2887 0.2669 -0.0073 0.0123 0.0151 172 LEU A CD2 1386 N N . TYR A 174 ? 0.1789 0.2228 0.2095 0.0056 0.0134 0.0067 173 TYR A N 1387 C CA . TYR A 174 ? 0.1956 0.2335 0.2207 0.0105 0.0151 0.0056 173 TYR A CA 1388 C C . TYR A 174 ? 0.2010 0.2403 0.2246 0.0147 0.0163 0.0064 173 TYR A C 1389 O O . TYR A 174 ? 0.2191 0.2590 0.2391 0.0201 0.0186 0.0078 173 TYR A O 1390 C CB . TYR A 174 ? 0.1956 0.2233 0.2172 0.0090 0.0136 0.0021 173 TYR A CB 1391 C CG . TYR A 174 ? 0.2194 0.2390 0.2343 0.0126 0.0144 0.0005 173 TYR A CG 1392 C CD1 . TYR A 174 ? 0.2432 0.2588 0.2534 0.0144 0.0152 0.0002 173 TYR A CD1 1393 C CD2 . TYR A 174 ? 0.2294 0.2445 0.2414 0.0140 0.0143 -0.0004 173 TYR A CD2 1394 C CE1 . TYR A 174 ? 0.2625 0.2691 0.2650 0.0172 0.0155 -0.0013 173 TYR A CE1 1395 C CE2 . TYR A 174 ? 0.2465 0.2523 0.2507 0.0166 0.0147 -0.0018 173 TYR A CE2 1396 C CZ . TYR A 174 ? 0.2822 0.2836 0.2815 0.0180 0.0152 -0.0023 173 TYR A CZ 1397 O OH . TYR A 174 ? 0.3202 0.3107 0.3102 0.0201 0.0151 -0.0039 173 TYR A OH 1398 N N . PHE A 175 ? 0.1955 0.2347 0.2210 0.0128 0.0148 0.0056 174 PHE A N 1399 C CA . PHE A 175 ? 0.1993 0.2393 0.2231 0.0167 0.0157 0.0064 174 PHE A CA 1400 C C . PHE A 175 ? 0.2024 0.2539 0.2290 0.0203 0.0176 0.0104 174 PHE A C 1401 O O . PHE A 175 ? 0.2014 0.2525 0.2237 0.0266 0.0199 0.0117 174 PHE A O 1402 C CB . PHE A 175 ? 0.1976 0.2371 0.2238 0.0134 0.0137 0.0052 174 PHE A CB 1403 C CG . PHE A 175 ? 0.2025 0.2439 0.2276 0.0171 0.0144 0.0065 174 PHE A CG 1404 C CD1 . PHE A 175 ? 0.2130 0.2454 0.2314 0.0210 0.0155 0.0052 174 PHE A CD1 1405 C CD2 . PHE A 175 ? 0.1961 0.2476 0.2261 0.0163 0.0137 0.0089 174 PHE A CD2 1406 C CE1 . PHE A 175 ? 0.2185 0.2513 0.2348 0.0246 0.0162 0.0064 174 PHE A CE1 1407 C CE2 . PHE A 175 ? 0.2070 0.2605 0.2357 0.0200 0.0143 0.0102 174 PHE A CE2 1408 C CZ . PHE A 175 ? 0.2173 0.2612 0.2391 0.0245 0.0157 0.0089 174 PHE A CZ 1409 N N . LEU A 176 ? 0.1898 0.2515 0.2228 0.0163 0.0165 0.0127 175 LEU A N 1410 C CA . LEU A 176 ? 0.1979 0.2734 0.2351 0.0187 0.0178 0.0173 175 LEU A CA 1411 C C . LEU A 176 ? 0.2111 0.2901 0.2463 0.0236 0.0209 0.0196 175 LEU A C 1412 O O . LEU A 176 ? 0.2137 0.3010 0.2490 0.0295 0.0233 0.0231 175 LEU A O 1413 C CB . LEU A 176 ? 0.1867 0.2717 0.2307 0.0117 0.0153 0.0193 175 LEU A CB 1414 C CG . LEU A 176 ? 0.1859 0.2693 0.2313 0.0079 0.0124 0.0178 175 LEU A CG 1415 C CD1 . LEU A 176 ? 0.1845 0.2742 0.2345 0.0003 0.0097 0.0193 175 LEU A CD1 1416 C CD2 . LEU A 176 ? 0.1850 0.2740 0.2307 0.0124 0.0131 0.0195 175 LEU A CD2 1417 N N . GLN A 177 ? 0.2105 0.2836 0.2437 0.0218 0.0211 0.0181 176 GLN A N 1418 C CA . GLN A 177 ? 0.2344 0.3091 0.2644 0.0268 0.0241 0.0199 176 GLN A CA 1419 C C . GLN A 177 ? 0.2539 0.3211 0.2755 0.0351 0.0266 0.0191 176 GLN A C 1420 O O . GLN A 177 ? 0.2587 0.3302 0.2774 0.0416 0.0299 0.0218 176 GLN A O 1421 C CB . GLN A 177 ? 0.2391 0.3067 0.2671 0.0235 0.0235 0.0178 176 GLN A CB 1422 C CG . GLN A 177 ? 0.2387 0.3139 0.2731 0.0167 0.0220 0.0198 176 GLN A CG 1423 C CD . GLN A 177 ? 0.2463 0.3143 0.2781 0.0143 0.0216 0.0181 176 GLN A CD 1424 O OE1 . GLN A 177 ? 0.2510 0.3078 0.2769 0.0164 0.0216 0.0148 176 GLN A OE1 1425 N NE2 . GLN A 177 ? 0.2392 0.3134 0.2749 0.0098 0.0211 0.0206 176 GLN A NE2 1426 N N . ARG A 178 ? 0.2613 0.3171 0.2783 0.0351 0.0253 0.0156 177 ARG A N 1427 C CA . ARG A 178 ? 0.2954 0.3410 0.3026 0.0420 0.0272 0.0144 177 ARG A CA 1428 C C . ARG A 178 ? 0.2983 0.3475 0.3047 0.0471 0.0284 0.0164 177 ARG A C 1429 O O . ARG A 178 ? 0.3144 0.3533 0.3114 0.0529 0.0298 0.0153 177 ARG A O 1430 C CB . ARG A 178 ? 0.3201 0.3498 0.3212 0.0390 0.0251 0.0097 177 ARG A CB 1431 C CG . ARG A 178 ? 0.3592 0.3847 0.3581 0.0371 0.0249 0.0084 177 ARG A CG 1432 C CD . ARG A 178 ? 0.3861 0.4001 0.3821 0.0322 0.0222 0.0043 177 ARG A CD 1433 N NE . ARG A 178 ? 0.4592 0.4697 0.4526 0.0311 0.0220 0.0034 177 ARG A NE 1434 C CZ . ARG A 178 ? 0.5096 0.5276 0.5087 0.0285 0.0220 0.0047 177 ARG A CZ 1435 N NH1 . ARG A 178 ? 0.5318 0.5615 0.5397 0.0259 0.0219 0.0072 177 ARG A NH1 1436 N NH2 . ARG A 178 ? 0.5192 0.5322 0.5144 0.0281 0.0218 0.0037 177 ARG A NH2 1437 N N . GLN A 179 ? 0.2679 0.3307 0.2831 0.0450 0.0275 0.0192 178 GLN A N 1438 C CA . GLN A 179 ? 0.2677 0.3352 0.2821 0.0503 0.0286 0.0215 178 GLN A CA 1439 C C . GLN A 179 ? 0.2671 0.3507 0.2851 0.0559 0.0315 0.0269 178 GLN A C 1440 O O . GLN A 179 ? 0.2479 0.3431 0.2734 0.0520 0.0312 0.0293 178 GLN A O 1441 C CB . GLN A 179 ? 0.2604 0.3331 0.2816 0.0447 0.0256 0.0213 178 GLN A CB 1442 C CG . GLN A 179 ? 0.2745 0.3346 0.2941 0.0385 0.0227 0.0166 178 GLN A CG 1443 C CD . GLN A 179 ? 0.2993 0.3425 0.3085 0.0417 0.0236 0.0133 178 GLN A CD 1444 O OE1 . GLN A 179 ? 0.3117 0.3498 0.3143 0.0477 0.0251 0.0139 178 GLN A OE1 1445 N NE2 . GLN A 179 ? 0.3144 0.3487 0.3215 0.0376 0.0224 0.0102 178 GLN A NE2 1446 N N . PRO A 180 ? 0.2660 0.3503 0.2785 0.0653 0.0345 0.0292 179 PRO A N 1447 C CA . PRO A 180 ? 0.2794 0.3813 0.2958 0.0716 0.0376 0.0352 179 PRO A CA 1448 C C . PRO A 180 ? 0.2626 0.3846 0.2921 0.0657 0.0353 0.0391 179 PRO A C 1449 O O . PRO A 180 ? 0.2380 0.3592 0.2710 0.0603 0.0321 0.0375 179 PRO A O 1450 C CB . PRO A 180 ? 0.2907 0.3875 0.2979 0.0825 0.0404 0.0363 179 PRO A CB 1451 C CG . PRO A 180 ? 0.3102 0.3829 0.3056 0.0824 0.0396 0.0306 179 PRO A CG 1452 C CD . PRO A 180 ? 0.2848 0.3532 0.2861 0.0708 0.0352 0.0266 179 PRO A CD 1453 N N . GLN A 181 ? 0.2465 0.3863 0.2827 0.0666 0.0370 0.0443 180 GLN A N 1454 C CA . GLN A 181 ? 0.2478 0.4075 0.2961 0.0602 0.0346 0.0486 180 GLN A CA 1455 C C . GLN A 181 ? 0.2477 0.4147 0.2980 0.0632 0.0337 0.0507 180 GLN A C 1456 O O . GLN A 181 ? 0.2246 0.3981 0.2817 0.0554 0.0298 0.0509 180 GLN A O 1457 C CB . GLN A 181 ? 0.2606 0.4398 0.3152 0.0619 0.0372 0.0550 180 GLN A CB 1458 C CG . GLN A 181 ? 0.2494 0.4486 0.3165 0.0529 0.0340 0.0595 180 GLN A CG 1459 C CD . GLN A 181 ? 0.2582 0.4490 0.3278 0.0404 0.0295 0.0556 180 GLN A CD 1460 O OE1 . GLN A 181 ? 0.2838 0.4648 0.3502 0.0381 0.0301 0.0530 180 GLN A OE1 1461 N NE2 . GLN A 181 ? 0.2401 0.4337 0.3143 0.0327 0.0251 0.0550 180 GLN A NE2 1462 N N . ALA A 182 ? 0.2445 0.4095 0.2878 0.0746 0.0372 0.0521 181 ALA A N 1463 C CA . ALA A 182 ? 0.2484 0.4198 0.2927 0.0785 0.0366 0.0543 181 ALA A CA 1464 C C . ALA A 182 ? 0.2383 0.3947 0.2798 0.0727 0.0329 0.0488 181 ALA A C 1465 O O . ALA A 182 ? 0.2306 0.3954 0.2771 0.0702 0.0303 0.0504 181 ALA A O 1466 C CB . ALA A 182 ? 0.2595 0.4282 0.2944 0.0929 0.0415 0.0565 181 ALA A CB 1467 N N . TRP A 183 ? 0.2225 0.3577 0.2562 0.0707 0.0325 0.0429 182 TRP A N 1468 C CA . TRP A 183 ? 0.2207 0.3418 0.2519 0.0650 0.0293 0.0379 182 TRP A CA 1469 C C . TRP A 183 ? 0.2031 0.3322 0.2441 0.0536 0.0250 0.0375 182 TRP A C 1470 O O . TRP A 183 ? 0.1985 0.3290 0.2418 0.0500 0.0222 0.0370 182 TRP A O 1471 C CB . TRP A 183 ? 0.2278 0.3269 0.2496 0.0644 0.0297 0.0323 182 TRP A CB 1472 C CG . TRP A 183 ? 0.2299 0.3159 0.2489 0.0596 0.0270 0.0280 182 TRP A CG 1473 C CD1 . TRP A 183 ? 0.2374 0.3114 0.2480 0.0641 0.0276 0.0265 182 TRP A CD1 1474 C CD2 . TRP A 183 ? 0.2205 0.3039 0.2445 0.0496 0.0234 0.0249 182 TRP A CD2 1475 N NE1 . TRP A 183 ? 0.2421 0.3075 0.2531 0.0571 0.0246 0.0228 182 TRP A NE1 1476 C CE2 . TRP A 183 ? 0.2263 0.2972 0.2453 0.0486 0.0221 0.0217 182 TRP A CE2 1477 C CE3 . TRP A 183 ? 0.2179 0.3076 0.2493 0.0416 0.0212 0.0246 182 TRP A CE3 1478 C CZ2 . TRP A 183 ? 0.2110 0.2772 0.2328 0.0406 0.0191 0.0186 182 TRP A CZ2 1479 C CZ3 . TRP A 183 ? 0.2105 0.2938 0.2436 0.0340 0.0181 0.0211 182 TRP A CZ3 1480 C CH2 . TRP A 183 ? 0.2034 0.2757 0.2319 0.0338 0.0172 0.0182 182 TRP A CH2 1481 N N . LYS A 184 ? 0.1970 0.3306 0.2427 0.0481 0.0244 0.0379 183 LYS A N 1482 C CA . LYS A 184 ? 0.1851 0.3238 0.2380 0.0372 0.0203 0.0373 183 LYS A CA 1483 C C . LYS A 184 ? 0.1887 0.3463 0.2496 0.0350 0.0183 0.0422 183 LYS A C 1484 O O . LYS A 184 ? 0.1781 0.3361 0.2418 0.0277 0.0144 0.0411 183 LYS A O 1485 C CB . LYS A 184 ? 0.1835 0.3225 0.2387 0.0325 0.0205 0.0372 183 LYS A CB 1486 C CG . LYS A 184 ? 0.1870 0.3069 0.2348 0.0328 0.0212 0.0318 183 LYS A CG 1487 C CD . LYS A 184 ? 0.1891 0.3083 0.2384 0.0283 0.0213 0.0315 183 LYS A CD 1488 C CE . LYS A 184 ? 0.1932 0.3218 0.2429 0.0339 0.0249 0.0356 183 LYS A CE 1489 N NZ . LYS A 184 ? 0.1995 0.3226 0.2478 0.0311 0.0254 0.0342 183 LYS A NZ 1490 N N . ASP A 185 ? 0.1976 0.3712 0.2616 0.0412 0.0209 0.0479 184 ASP A N 1491 C CA . ASP A 185 ? 0.2188 0.4134 0.2912 0.0391 0.0188 0.0535 184 ASP A CA 1492 C C . ASP A 185 ? 0.2196 0.4123 0.2900 0.0413 0.0172 0.0527 184 ASP A C 1493 O O . ASP A 185 ? 0.2161 0.4195 0.2922 0.0354 0.0134 0.0548 184 ASP A O 1494 C CB . ASP A 185 ? 0.2465 0.4599 0.3226 0.0467 0.0226 0.0603 184 ASP A CB 1495 C CG . ASP A 185 ? 0.2849 0.5051 0.3651 0.0429 0.0237 0.0624 184 ASP A CG 1496 O OD1 . ASP A 185 ? 0.2965 0.5088 0.3776 0.0332 0.0210 0.0593 184 ASP A OD1 1497 O OD2 . ASP A 185 ? 0.3342 0.5674 0.4160 0.0504 0.0277 0.0675 184 ASP A OD2 1498 N N . LYS A 186 ? 0.2217 0.4000 0.2834 0.0494 0.0197 0.0498 185 LYS A N 1499 C CA . LYS A 186 ? 0.2266 0.4009 0.2852 0.0517 0.0184 0.0488 185 LYS A CA 1500 C C . LYS A 186 ? 0.2005 0.3608 0.2574 0.0431 0.0146 0.0433 185 LYS A C 1501 O O . LYS A 186 ? 0.1832 0.3482 0.2426 0.0394 0.0114 0.0438 185 LYS A O 1502 C CB . LYS A 186 ? 0.2563 0.4183 0.3048 0.0630 0.0225 0.0478 185 LYS A CB 1503 C CG . LYS A 186 ? 0.2825 0.4381 0.3266 0.0657 0.0214 0.0467 185 LYS A CG 1504 C CD . LYS A 186 ? 0.3259 0.4716 0.3595 0.0778 0.0257 0.0470 185 LYS A CD 1505 C CE . LYS A 186 ? 0.3630 0.5019 0.3916 0.0805 0.0247 0.0463 185 LYS A CE 1506 N NZ . LYS A 186 ? 0.4171 0.5418 0.4332 0.0916 0.0288 0.0460 185 LYS A NZ 1507 N N . TYR A 187 ? 0.1894 0.3335 0.2420 0.0400 0.0150 0.0384 186 TYR A N 1508 C CA . TYR A 187 ? 0.1835 0.3127 0.2327 0.0344 0.0125 0.0331 186 TYR A CA 1509 C C . TYR A 187 ? 0.1822 0.3104 0.2353 0.0240 0.0089 0.0310 186 TYR A C 1510 O O . TYR A 187 ? 0.1685 0.2879 0.2195 0.0196 0.0066 0.0277 186 TYR A O 1511 C CB . TYR A 187 ? 0.1908 0.3012 0.2314 0.0382 0.0149 0.0289 186 TYR A CB 1512 C CG . TYR A 187 ? 0.2059 0.3113 0.2396 0.0476 0.0177 0.0299 186 TYR A CG 1513 C CD1 . TYR A 187 ? 0.2247 0.3264 0.2557 0.0487 0.0166 0.0293 186 TYR A CD1 1514 C CD2 . TYR A 187 ? 0.2294 0.3322 0.2578 0.0557 0.0215 0.0312 186 TYR A CD2 1515 C CE1 . TYR A 187 ? 0.2367 0.3320 0.2599 0.0573 0.0191 0.0302 186 TYR A CE1 1516 C CE2 . TYR A 187 ? 0.2469 0.3427 0.2669 0.0648 0.0240 0.0320 186 TYR A CE2 1517 C CZ . TYR A 187 ? 0.2617 0.3538 0.2793 0.0654 0.0228 0.0316 186 TYR A CZ 1518 O OH . TYR A 187 ? 0.3006 0.3845 0.3088 0.0743 0.0253 0.0324 186 TYR A OH 1519 N N . ILE A 188 ? 0.1734 0.3098 0.2312 0.0202 0.0087 0.0330 187 ILE A N 1520 C CA . ILE A 188 ? 0.1832 0.3164 0.2431 0.0106 0.0055 0.0310 187 ILE A CA 1521 C C . ILE A 188 ? 0.1923 0.3416 0.2588 0.0046 0.0024 0.0353 187 ILE A C 1522 O O . ILE A 188 ? 0.1966 0.3608 0.2681 0.0060 0.0036 0.0402 187 ILE A O 1523 C CB . ILE A 188 ? 0.1908 0.3178 0.2497 0.0097 0.0073 0.0295 187 ILE A CB 1524 C CG1 . ILE A 188 ? 0.1964 0.3084 0.2485 0.0154 0.0101 0.0257 187 ILE A CG1 1525 C CG2 . ILE A 188 ? 0.1933 0.3152 0.2529 0.0004 0.0041 0.0274 187 ILE A CG2 1526 C CD1 . ILE A 188 ? 0.1950 0.2931 0.2427 0.0135 0.0087 0.0211 187 ILE A CD1 1527 N N . ARG A 189 ? 0.1929 0.3394 0.2589 -0.0023 -0.0016 0.0337 188 ARG A N 1528 C CA . ARG A 189 ? 0.1948 0.3540 0.2656 -0.0100 -0.0056 0.0372 188 ARG A CA 1529 C C . ARG A 189 ? 0.1900 0.3468 0.2616 -0.0177 -0.0069 0.0370 188 ARG A C 1530 O O . ARG A 189 ? 0.1714 0.3419 0.2484 -0.0219 -0.0080 0.0416 188 ARG A O 1531 C CB . ARG A 189 ? 0.2215 0.3767 0.2896 -0.0144 -0.0097 0.0354 188 ARG A CB 1532 C CG . ARG A 189 ? 0.2649 0.4328 0.3369 -0.0230 -0.0145 0.0392 188 ARG A CG 1533 C CD . ARG A 189 ? 0.3145 0.4812 0.3837 -0.0270 -0.0188 0.0383 188 ARG A CD 1534 N NE . ARG A 189 ? 0.3780 0.5552 0.4496 -0.0198 -0.0176 0.0411 188 ARG A NE 1535 C CZ . ARG A 189 ? 0.4108 0.6084 0.4888 -0.0197 -0.0190 0.0471 188 ARG A CZ 1536 N NH1 . ARG A 189 ? 0.4217 0.6328 0.5051 -0.0277 -0.0220 0.0513 188 ARG A NH1 1537 N NH2 . ARG A 189 ? 0.4325 0.6370 0.5113 -0.0116 -0.0173 0.0490 188 ARG A NH2 1538 N N . ALA A 190 ? 0.1734 0.3130 0.2395 -0.0199 -0.0071 0.0319 189 ALA A N 1539 C CA . ALA A 190 ? 0.1746 0.3090 0.2398 -0.0270 -0.0086 0.0312 189 ALA A CA 1540 C C . ALA A 190 ? 0.1660 0.2821 0.2252 -0.0253 -0.0071 0.0257 189 ALA A C 1541 O O . ALA A 190 ? 0.1638 0.2713 0.2196 -0.0207 -0.0059 0.0224 189 ALA A O 1542 C CB . ALA A 190 ? 0.1814 0.3166 0.2455 -0.0367 -0.0138 0.0319 189 ALA A CB 1543 N N . PHE A 191 ? 0.1667 0.2776 0.2247 -0.0290 -0.0070 0.0251 190 PHE A N 1544 C CA . PHE A 191 ? 0.1650 0.2599 0.2177 -0.0280 -0.0059 0.0205 190 PHE A CA 1545 C C . PHE A 191 ? 0.1783 0.2660 0.2272 -0.0363 -0.0094 0.0196 190 PHE A C 1546 O O . PHE A 191 ? 0.1797 0.2729 0.2306 -0.0413 -0.0103 0.0227 190 PHE A O 1547 C CB . PHE A 191 ? 0.1673 0.2635 0.2216 -0.0232 -0.0021 0.0212 190 PHE A CB 1548 C CG . PHE A 191 ? 0.1719 0.2543 0.2217 -0.0226 -0.0010 0.0173 190 PHE A CG 1549 C CD1 . PHE A 191 ? 0.1816 0.2513 0.2264 -0.0241 -0.0025 0.0133 190 PHE A CD1 1550 C CD2 . PHE A 191 ? 0.1801 0.2633 0.2306 -0.0197 0.0016 0.0181 190 PHE A CD2 1551 C CE1 . PHE A 191 ? 0.1870 0.2461 0.2283 -0.0230 -0.0014 0.0105 190 PHE A CE1 1552 C CE2 . PHE A 191 ? 0.1925 0.2644 0.2392 -0.0190 0.0024 0.0151 190 PHE A CE2 1553 C CZ . PHE A 191 ? 0.1931 0.2535 0.2355 -0.0205 0.0009 0.0113 190 PHE A CZ 1554 N N . VAL A 192 ? 0.1790 0.2541 0.2219 -0.0376 -0.0111 0.0158 191 VAL A N 1555 C CA . VAL A 192 ? 0.1853 0.2497 0.2219 -0.0441 -0.0141 0.0142 191 VAL A CA 1556 C C . VAL A 192 ? 0.1872 0.2390 0.2198 -0.0409 -0.0118 0.0108 191 VAL A C 1557 O O . VAL A 192 ? 0.1782 0.2236 0.2089 -0.0357 -0.0101 0.0077 191 VAL A O 1558 C CB . VAL A 192 ? 0.1960 0.2542 0.2273 -0.0467 -0.0173 0.0123 191 VAL A CB 1559 C CG1 . VAL A 192 ? 0.2169 0.2610 0.2393 -0.0526 -0.0201 0.0104 191 VAL A CG1 1560 C CG2 . VAL A 192 ? 0.2019 0.2733 0.2372 -0.0499 -0.0198 0.0158 191 VAL A CG2 1561 N N . SER A 193 ? 0.1936 0.2431 0.2252 -0.0440 -0.0118 0.0119 192 SER A N 1562 C CA . SER A 193 ? 0.2075 0.2480 0.2364 -0.0408 -0.0096 0.0097 192 SER A CA 1563 C C . SER A 193 ? 0.2093 0.2354 0.2296 -0.0448 -0.0118 0.0076 192 SER A C 1564 O O . SER A 193 ? 0.2218 0.2463 0.2393 -0.0514 -0.0142 0.0095 192 SER A O 1565 C CB . SER A 193 ? 0.2266 0.2752 0.2601 -0.0410 -0.0078 0.0129 192 SER A CB 1566 O OG . SER A 193 ? 0.2567 0.2979 0.2880 -0.0380 -0.0057 0.0111 192 SER A OG 1567 N N . LEU A 194 ? 0.2018 0.2172 0.2171 -0.0409 -0.0110 0.0039 193 LEU A N 1568 C CA . LEU A 194 ? 0.2154 0.2161 0.2210 -0.0430 -0.0127 0.0017 193 LEU A CA 1569 C C . LEU A 194 ? 0.2097 0.2029 0.2127 -0.0392 -0.0105 0.0003 193 LEU A C 1570 O O . LEU A 194 ? 0.1881 0.1810 0.1929 -0.0331 -0.0082 -0.0015 193 LEU A O 1571 C CB . LEU A 194 ? 0.2290 0.2235 0.2299 -0.0409 -0.0136 -0.0009 193 LEU A CB 1572 C CG . LEU A 194 ? 0.2533 0.2546 0.2561 -0.0435 -0.0157 0.0000 193 LEU A CG 1573 C CD1 . LEU A 194 ? 0.2794 0.2740 0.2773 -0.0401 -0.0157 -0.0028 193 LEU A CD1 1574 C CD2 . LEU A 194 ? 0.2612 0.2618 0.2604 -0.0518 -0.0197 0.0021 193 LEU A CD2 1575 N N . GLY A 195 ? 0.2183 0.2057 0.2171 -0.0429 -0.0114 0.0014 194 GLY A N 1576 C CA . GLY A 195 ? 0.2129 0.1924 0.2082 -0.0392 -0.0096 0.0002 194 GLY A CA 1577 C C . GLY A 195 ? 0.2055 0.1935 0.2083 -0.0346 -0.0066 0.0008 194 GLY A C 1578 O O . GLY A 195 ? 0.1948 0.1795 0.1969 -0.0293 -0.0049 -0.0010 194 GLY A O 1579 N N . ALA A 196 ? 0.1903 0.1897 0.1999 -0.0364 -0.0061 0.0035 195 ALA A N 1580 C CA . ALA A 196 ? 0.1892 0.1962 0.2048 -0.0319 -0.0033 0.0040 195 ALA A CA 1581 C C . ALA A 196 ? 0.2032 0.2059 0.2166 -0.0310 -0.0021 0.0045 195 ALA A C 1582 O O . ALA A 196 ? 0.2036 0.2048 0.2147 -0.0356 -0.0030 0.0068 195 ALA A O 1583 C CB . ALA A 196 ? 0.1862 0.2067 0.2088 -0.0332 -0.0027 0.0072 195 ALA A CB 1584 N N . PRO A 197 ? 0.2019 0.2028 0.2156 -0.0257 -0.0003 0.0026 196 PRO A N 1585 C CA . PRO A 197 ? 0.2101 0.2078 0.2218 -0.0242 0.0006 0.0031 196 PRO A CA 1586 C C . PRO A 197 ? 0.2030 0.2098 0.2196 -0.0230 0.0025 0.0051 196 PRO A C 1587 O O . PRO A 197 ? 0.2097 0.2170 0.2270 -0.0189 0.0039 0.0042 196 PRO A O 1588 C CB . PRO A 197 ? 0.2074 0.2004 0.2174 -0.0191 0.0013 0.0002 196 PRO A CB 1589 C CG . PRO A 197 ? 0.2077 0.2066 0.2222 -0.0172 0.0017 -0.0008 196 PRO A CG 1590 C CD . PRO A 197 ? 0.2080 0.2092 0.2232 -0.0211 0.0003 0.0001 196 PRO A CD 1591 N N A TRP A 198 ? 0.2064 0.2202 0.2258 -0.0268 0.0023 0.0082 197 TRP A N 1592 N N B TRP A 198 ? 0.2026 0.2165 0.2221 -0.0267 0.0024 0.0082 197 TRP A N 1593 C CA A TRP A 198 ? 0.2170 0.2400 0.2405 -0.0254 0.0044 0.0107 197 TRP A CA 1594 C CA B TRP A 198 ? 0.1989 0.2232 0.2232 -0.0248 0.0045 0.0106 197 TRP A CA 1595 C C A TRP A 198 ? 0.2180 0.2357 0.2379 -0.0246 0.0052 0.0111 197 TRP A C 1596 C C B TRP A 198 ? 0.1960 0.2193 0.2192 -0.0210 0.0066 0.0106 197 TRP A C 1597 O O A TRP A 198 ? 0.2167 0.2276 0.2322 -0.0282 0.0040 0.0118 197 TRP A O 1598 O O B TRP A 198 ? 0.1875 0.2149 0.2125 -0.0166 0.0083 0.0101 197 TRP A O 1599 C CB A TRP A 198 ? 0.2234 0.2556 0.2503 -0.0302 0.0039 0.0147 197 TRP A CB 1600 C CB B TRP A 198 ? 0.2035 0.2358 0.2305 -0.0301 0.0040 0.0147 197 TRP A CB 1601 C CG A TRP A 198 ? 0.2203 0.2574 0.2499 -0.0327 0.0023 0.0151 197 TRP A CG 1602 C CG B TRP A 198 ? 0.2027 0.2403 0.2326 -0.0327 0.0023 0.0152 197 TRP A CG 1603 C CD1 A TRP A 198 ? 0.2291 0.2671 0.2581 -0.0395 -0.0002 0.0171 197 TRP A CD1 1604 C CD1 B TRP A 198 ? 0.2089 0.2470 0.2380 -0.0395 -0.0002 0.0171 197 TRP A CD1 1605 C CD2 A TRP A 198 ? 0.2254 0.2679 0.2586 -0.0289 0.0029 0.0140 197 TRP A CD2 1606 C CD2 B TRP A 198 ? 0.2001 0.2426 0.2333 -0.0289 0.0029 0.0140 197 TRP A CD2 1607 N NE1 A TRP A 198 ? 0.2264 0.2704 0.2585 -0.0400 -0.0014 0.0171 197 TRP A NE1 1608 N NE1 B TRP A 198 ? 0.2065 0.2505 0.2386 -0.0400 -0.0014 0.0172 197 TRP A NE1 1609 C CE2 A TRP A 198 ? 0.2179 0.2646 0.2526 -0.0332 0.0007 0.0153 197 TRP A CE2 1610 C CE2 B TRP A 198 ? 0.1995 0.2463 0.2342 -0.0333 0.0007 0.0153 197 TRP A CE2 1611 C CE3 A TRP A 198 ? 0.2196 0.2625 0.2538 -0.0225 0.0049 0.0120 197 TRP A CE3 1612 C CE3 B TRP A 198 ? 0.1953 0.2384 0.2296 -0.0225 0.0049 0.0120 197 TRP A CE3 1613 C CZ2 A TRP A 198 ? 0.2235 0.2756 0.2612 -0.0308 0.0006 0.0147 197 TRP A CZ2 1614 C CZ2 B TRP A 198 ? 0.1978 0.2499 0.2355 -0.0309 0.0006 0.0147 197 TRP A CZ2 1615 C CZ3 A TRP A 198 ? 0.2254 0.2728 0.2621 -0.0204 0.0049 0.0115 197 TRP A CZ3 1616 C CZ3 B TRP A 198 ? 0.1940 0.2414 0.2307 -0.0204 0.0049 0.0115 197 TRP A CZ3 1617 C CH2 A TRP A 198 ? 0.2085 0.2607 0.2472 -0.0242 0.0029 0.0129 197 TRP A CH2 1618 C CH2 B TRP A 198 ? 0.1909 0.2430 0.2295 -0.0243 0.0029 0.0129 197 TRP A CH2 1619 N N A GLY A 199 ? 0.2249 0.2448 0.2456 -0.0200 0.0072 0.0106 198 GLY A N 1620 N N B GLY A 199 ? 0.2010 0.2180 0.2201 -0.0225 0.0063 0.0110 198 GLY A N 1621 C CA A GLY A 199 ? 0.2227 0.2384 0.2400 -0.0188 0.0080 0.0110 198 GLY A CA 1622 C CA B GLY A 199 ? 0.2042 0.2196 0.2214 -0.0191 0.0079 0.0110 198 GLY A CA 1623 C C A GLY A 199 ? 0.2197 0.2255 0.2324 -0.0168 0.0070 0.0082 198 GLY A C 1624 C C B GLY A 199 ? 0.2074 0.2130 0.2200 -0.0169 0.0070 0.0082 198 GLY A C 1625 O O A GLY A 199 ? 0.2221 0.2238 0.2314 -0.0160 0.0074 0.0087 198 GLY A O 1626 O O B GLY A 199 ? 0.2112 0.2128 0.2204 -0.0161 0.0074 0.0087 198 GLY A O 1627 N N . GLY A 200 ? 0.2048 0.2076 0.2175 -0.0156 0.0059 0.0055 199 GLY A N 1628 C CA . GLY A 200 ? 0.2062 0.2019 0.2154 -0.0128 0.0052 0.0031 199 GLY A CA 1629 C C . GLY A 200 ? 0.2210 0.2077 0.2246 -0.0149 0.0040 0.0032 199 GLY A C 1630 O O . GLY A 200 ? 0.2331 0.2180 0.2350 -0.0194 0.0033 0.0050 199 GLY A O 1631 N N . VAL A 201 ? 0.2196 0.2005 0.2199 -0.0116 0.0035 0.0014 200 VAL A N 1632 C CA . VAL A 201 ? 0.2322 0.2028 0.2254 -0.0122 0.0026 0.0013 200 VAL A CA 1633 C C . VAL A 201 ? 0.2383 0.2041 0.2273 -0.0080 0.0030 0.0011 200 VAL A C 1634 O O . VAL A 201 ? 0.2208 0.1913 0.2128 -0.0042 0.0034 0.0003 200 VAL A O 1635 C CB . VAL A 201 ? 0.2629 0.2298 0.2543 -0.0115 0.0017 -0.0005 200 VAL A CB 1636 C CG1 . VAL A 201 ? 0.2688 0.2403 0.2638 -0.0157 0.0010 -0.0003 200 VAL A CG1 1637 C CG2 . VAL A 201 ? 0.2672 0.2377 0.2613 -0.0065 0.0023 -0.0023 200 VAL A CG2 1638 N N . ALA A 202 ? 0.2456 0.2015 0.2270 -0.0089 0.0026 0.0022 201 ALA A N 1639 C CA . ALA A 202 ? 0.2517 0.2031 0.2286 -0.0048 0.0030 0.0026 201 ALA A CA 1640 C C . ALA A 202 ? 0.2563 0.2074 0.2325 0.0010 0.0031 0.0009 201 ALA A C 1641 O O . ALA A 202 ? 0.2586 0.2123 0.2353 0.0051 0.0034 0.0011 201 ALA A O 1642 C CB . ALA A 202 ? 0.2649 0.2039 0.2324 -0.0070 0.0025 0.0041 201 ALA A CB 1643 N N . LYS A 203 ? 0.2786 0.2273 0.2537 0.0015 0.0027 -0.0004 202 LYS A N 1644 C CA . LYS A 203 ? 0.3081 0.2568 0.2818 0.0077 0.0031 -0.0013 202 LYS A CA 1645 C C . LYS A 203 ? 0.2696 0.2308 0.2517 0.0103 0.0034 -0.0018 202 LYS A C 1646 O O . LYS A 203 ? 0.2472 0.2107 0.2290 0.0154 0.0037 -0.0017 202 LYS A O 1647 C CB . LYS A 203 ? 0.3765 0.3191 0.3458 0.0084 0.0030 -0.0026 202 LYS A CB 1648 C CG . LYS A 203 ? 0.4264 0.3763 0.4023 0.0061 0.0028 -0.0038 202 LYS A CG 1649 C CD . LYS A 203 ? 0.5279 0.4703 0.4977 0.0074 0.0026 -0.0050 202 LYS A CD 1650 C CE . LYS A 203 ? 0.5999 0.5398 0.5652 0.0149 0.0038 -0.0050 202 LYS A CE 1651 N NZ . LYS A 203 ? 0.6495 0.5871 0.6119 0.0172 0.0042 -0.0063 202 LYS A NZ 1652 N N . THR A 204 ? 0.2507 0.2196 0.2397 0.0069 0.0033 -0.0019 203 THR A N 1653 C CA . THR A 204 ? 0.2469 0.2256 0.2422 0.0083 0.0032 -0.0023 203 THR A CA 1654 C C . THR A 204 ? 0.2323 0.2124 0.2262 0.0117 0.0029 -0.0013 203 THR A C 1655 O O . THR A 204 ? 0.2151 0.2019 0.2123 0.0141 0.0024 -0.0013 203 THR A O 1656 C CB . THR A 204 ? 0.2530 0.2372 0.2534 0.0046 0.0032 -0.0025 203 THR A CB 1657 O OG1 . THR A 204 ? 0.3109 0.2922 0.3090 0.0027 0.0035 -0.0013 203 THR A OG1 1658 C CG2 . THR A 204 ? 0.2585 0.2434 0.2612 0.0018 0.0033 -0.0033 203 THR A CG2 1659 N N . LEU A 205 ? 0.2310 0.2049 0.2199 0.0116 0.0031 -0.0002 204 LEU A N 1660 C CA . LEU A 205 ? 0.2382 0.2131 0.2251 0.0151 0.0028 0.0008 204 LEU A CA 1661 C C . LEU A 205 ? 0.2316 0.2065 0.2163 0.0206 0.0027 0.0012 204 LEU A C 1662 O O . LEU A 205 ? 0.2349 0.2168 0.2219 0.0235 0.0021 0.0019 204 LEU A O 1663 C CB . LEU A 205 ? 0.2647 0.2317 0.2455 0.0143 0.0032 0.0023 204 LEU A CB 1664 C CG . LEU A 205 ? 0.2741 0.2423 0.2559 0.0107 0.0035 0.0030 204 LEU A CG 1665 C CD1 . LEU A 205 ? 0.2761 0.2519 0.2615 0.0117 0.0030 0.0028 204 LEU A CD1 1666 C CD2 . LEU A 205 ? 0.2768 0.2458 0.2616 0.0059 0.0040 0.0027 204 LEU A CD2 1667 N N . ARG A 206 ? 0.2498 0.2167 0.2291 0.0222 0.0035 0.0011 205 ARG A N 1668 C CA . ARG A 206 ? 0.2659 0.2324 0.2419 0.0287 0.0039 0.0017 205 ARG A CA 1669 C C . ARG A 206 ? 0.2493 0.2276 0.2329 0.0299 0.0038 0.0013 205 ARG A C 1670 O O . ARG A 206 ? 0.2360 0.2217 0.2214 0.0345 0.0037 0.0027 205 ARG A O 1671 C CB . ARG A 206 ? 0.2985 0.2519 0.2654 0.0301 0.0048 0.0014 205 ARG A CB 1672 C CG . ARG A 206 ? 0.3419 0.2944 0.3045 0.0378 0.0058 0.0021 205 ARG A CG 1673 C CD . ARG A 206 ? 0.4106 0.3483 0.3631 0.0382 0.0064 0.0012 205 ARG A CD 1674 N NE . ARG A 206 ? 0.4938 0.4316 0.4425 0.0460 0.0078 0.0017 205 ARG A NE 1675 C CZ . ARG A 206 ? 0.5130 0.4517 0.4618 0.0474 0.0085 0.0007 205 ARG A CZ 1676 N NH1 . ARG A 206 ? 0.5283 0.4650 0.4790 0.0414 0.0079 -0.0010 205 ARG A NH1 1677 N NH2 . ARG A 206 ? 0.5880 0.5283 0.5334 0.0557 0.0102 0.0018 205 ARG A NH2 1678 N N . VAL A 207 ? 0.2476 0.2282 0.2356 0.0257 0.0038 0.0000 206 VAL A N 1679 C CA . VAL A 207 ? 0.2478 0.2391 0.2429 0.0259 0.0037 -0.0002 206 VAL A CA 1680 C C . VAL A 207 ? 0.2426 0.2448 0.2435 0.0257 0.0023 0.0007 206 VAL A C 1681 O O . VAL A 207 ? 0.2323 0.2433 0.2363 0.0289 0.0021 0.0020 206 VAL A O 1682 C CB . VAL A 207 ? 0.2504 0.2420 0.2491 0.0209 0.0036 -0.0019 206 VAL A CB 1683 C CG1 . VAL A 207 ? 0.2540 0.2564 0.2597 0.0205 0.0034 -0.0019 206 VAL A CG1 1684 C CG2 . VAL A 207 ? 0.2593 0.2412 0.2522 0.0209 0.0044 -0.0027 206 VAL A CG2 1685 N N . LEU A 208 ? 0.2357 0.2373 0.2374 0.0220 0.0014 0.0002 207 LEU A N 1686 C CA . LEU A 208 ? 0.2321 0.2422 0.2378 0.0209 -0.0002 0.0008 207 LEU A CA 1687 C C . LEU A 208 ? 0.2306 0.2435 0.2342 0.0253 -0.0009 0.0027 207 LEU A C 1688 O O . LEU A 208 ? 0.2223 0.2450 0.2298 0.0260 -0.0023 0.0039 207 LEU A O 1689 C CB . LEU A 208 ? 0.2337 0.2411 0.2393 0.0166 -0.0007 -0.0001 207 LEU A CB 1690 C CG . LEU A 208 ? 0.2403 0.2472 0.2488 0.0126 -0.0003 -0.0017 207 LEU A CG 1691 C CD1 . LEU A 208 ? 0.2514 0.2543 0.2581 0.0099 0.0000 -0.0022 207 LEU A CD1 1692 C CD2 . LEU A 208 ? 0.2417 0.2563 0.2549 0.0108 -0.0015 -0.0020 207 LEU A CD2 1693 N N . ALA A 209 ? 0.2365 0.2408 0.2336 0.0283 0.0000 0.0033 208 ALA A N 1694 C CA . ALA A 209 ? 0.2426 0.2487 0.2367 0.0332 -0.0005 0.0054 208 ALA A CA 1695 C C . ALA A 209 ? 0.2447 0.2575 0.2399 0.0390 0.0000 0.0071 208 ALA A C 1696 O O . ALA A 209 ? 0.2475 0.2714 0.2465 0.0410 -0.0013 0.0089 208 ALA A O 1697 C CB . ALA A 209 ? 0.2449 0.2388 0.2307 0.0350 0.0005 0.0058 208 ALA A CB 1698 N N . SER A 210 ? 0.2596 0.2657 0.2510 0.0418 0.0019 0.0067 209 SER A N 1699 C CA . SER A 210 ? 0.2708 0.2804 0.2603 0.0493 0.0032 0.0086 209 SER A CA 1700 C C . SER A 210 ? 0.2717 0.2839 0.2634 0.0502 0.0046 0.0082 209 SER A C 1701 O O . SER A 210 ? 0.2981 0.3134 0.2877 0.0572 0.0061 0.0099 209 SER A O 1702 C CB . SER A 210 ? 0.2880 0.2844 0.2665 0.0550 0.0045 0.0094 209 SER A CB 1703 O OG . SER A 210 ? 0.2956 0.2769 0.2677 0.0515 0.0052 0.0073 209 SER A OG 1704 N N . GLY A 211 ? 0.2705 0.2821 0.2661 0.0439 0.0043 0.0060 210 GLY A N 1705 C CA . GLY A 211 ? 0.2799 0.2944 0.2780 0.0441 0.0055 0.0055 210 GLY A CA 1706 C C . GLY A 211 ? 0.3106 0.3105 0.2997 0.0461 0.0071 0.0041 210 GLY A C 1707 O O . GLY A 211 ? 0.3094 0.2979 0.2897 0.0491 0.0076 0.0042 210 GLY A O 1708 N N . ASP A 212 ? 0.3127 0.3124 0.3031 0.0444 0.0079 0.0028 211 ASP A N 1709 C CA . ASP A 212 ? 0.3589 0.3448 0.3402 0.0461 0.0091 0.0014 211 ASP A CA 1710 C C . ASP A 212 ? 0.3598 0.3508 0.3420 0.0500 0.0108 0.0018 211 ASP A C 1711 O O . ASP A 212 ? 0.3550 0.3525 0.3438 0.0457 0.0106 0.0011 211 ASP A O 1712 C CB . ASP A 212 ? 0.3820 0.3601 0.3629 0.0385 0.0080 -0.0008 211 ASP A CB 1713 C CG . ASP A 212 ? 0.4319 0.3948 0.4024 0.0388 0.0085 -0.0022 211 ASP A CG 1714 O OD1 . ASP A 212 ? 0.4025 0.3589 0.3647 0.0454 0.0099 -0.0018 211 ASP A OD1 1715 O OD2 . ASP A 212 ? 0.4921 0.4495 0.4623 0.0324 0.0074 -0.0037 211 ASP A OD2 1716 N N . ASN A 213 ? 0.4032 0.3912 0.3783 0.0584 0.0128 0.0033 212 ASN A N 1717 C CA . ASN A 213 ? 0.4349 0.4272 0.4093 0.0637 0.0149 0.0041 212 ASN A CA 1718 C C . ASN A 213 ? 0.5322 0.5064 0.4934 0.0663 0.0161 0.0021 212 ASN A C 1719 O O . ASN A 213 ? 0.5872 0.5611 0.5437 0.0727 0.0183 0.0028 212 ASN A O 1720 C CB . ASN A 213 ? 0.4288 0.4318 0.4040 0.0726 0.0167 0.0076 212 ASN A CB 1721 C CG . ASN A 213 ? 0.4819 0.4716 0.4440 0.0808 0.0181 0.0081 212 ASN A CG 1722 O OD1 . ASN A 213 ? 0.5021 0.4749 0.4553 0.0784 0.0171 0.0061 212 ASN A OD1 1723 N ND2 . ASN A 213 ? 0.4916 0.4888 0.4521 0.0906 0.0203 0.0113 212 ASN A ND2 1724 N N . ASN A 214 ? 0.5652 0.5245 0.5197 0.0611 0.0145 -0.0001 213 ASN A N 1725 C CA . ASN A 214 ? 0.6155 0.5554 0.5555 0.0628 0.0149 -0.0019 213 ASN A CA 1726 C C . ASN A 214 ? 0.6390 0.5792 0.5782 0.0630 0.0158 -0.0031 213 ASN A C 1727 O O . ASN A 214 ? 0.6615 0.5877 0.5879 0.0671 0.0168 -0.0041 213 ASN A O 1728 C CB . ASN A 214 ? 0.6340 0.5604 0.5691 0.0549 0.0124 -0.0038 213 ASN A CB 1729 C CG . ASN A 214 ? 0.6437 0.5634 0.5738 0.0560 0.0119 -0.0027 213 ASN A CG 1730 O OD1 . ASN A 214 ? 0.6764 0.6012 0.6065 0.0631 0.0132 -0.0007 213 ASN A OD1 1731 N ND2 . ASN A 214 ? 0.6607 0.5697 0.5868 0.0490 0.0100 -0.0038 213 ASN A ND2 1732 N N . ARG A 215 ? 0.6551 0.6102 0.6070 0.0586 0.0155 -0.0029 214 ARG A N 1733 C CA . ARG A 215 ? 0.6770 0.6336 0.6293 0.0583 0.0163 -0.0038 214 ARG A CA 1734 C C . ARG A 215 ? 0.7077 0.6803 0.6668 0.0642 0.0188 -0.0013 214 ARG A C 1735 O O . ARG A 215 ? 0.6912 0.6704 0.6548 0.0627 0.0195 -0.0013 214 ARG A O 1736 C CB . ARG A 215 ? 0.6845 0.6438 0.6443 0.0485 0.0141 -0.0055 214 ARG A CB 1737 C CG . ARG A 215 ? 0.7278 0.6713 0.6794 0.0432 0.0119 -0.0076 214 ARG A CG 1738 C CD . ARG A 215 ? 0.7777 0.7239 0.7355 0.0347 0.0099 -0.0090 214 ARG A CD 1739 N NE . ARG A 215 ? 0.8603 0.7991 0.8162 0.0285 0.0077 -0.0097 214 ARG A NE 1740 C CZ . ARG A 215 ? 0.9277 0.8699 0.8896 0.0212 0.0060 -0.0103 214 ARG A CZ 1741 N NH1 . ARG A 215 ? 0.9211 0.8726 0.8905 0.0192 0.0061 -0.0106 214 ARG A NH1 1742 N NH2 . ARG A 215 ? 0.9234 0.8600 0.8835 0.0160 0.0042 -0.0103 214 ARG A NH2 1743 N N . ILE A 216 ? 0.7077 0.6871 0.6677 0.0708 0.0201 0.0013 215 ILE A N 1744 C CA . ILE A 216 ? 0.6604 0.6575 0.6279 0.0762 0.0224 0.0046 215 ILE A CA 1745 C C . ILE A 216 ? 0.6296 0.6290 0.5935 0.0847 0.0237 0.0073 215 ILE A C 1746 O O . ILE A 216 ? 0.5972 0.6121 0.5710 0.0845 0.0231 0.0100 215 ILE A O 1747 C CB . ILE A 216 ? 0.6634 0.6783 0.6467 0.0686 0.0208 0.0057 215 ILE A CB 1748 C CG1 . ILE A 216 ? 0.6531 0.6879 0.6449 0.0730 0.0226 0.0098 215 ILE A CG1 1749 C CG2 . ILE A 216 ? 0.6901 0.7057 0.6784 0.0624 0.0179 0.0050 215 ILE A CG2 1750 C CD1 . ILE A 216 ? 0.6624 0.7108 0.6662 0.0656 0.0216 0.0105 215 ILE A CD1 1751 N N . PRO A 217 ? 0.6091 0.5915 0.5577 0.0920 0.0252 0.0066 216 PRO A N 1752 C CA . PRO A 217 ? 0.5894 0.5691 0.5314 0.1006 0.0263 0.0087 216 PRO A CA 1753 C C . PRO A 217 ? 0.6109 0.6094 0.5583 0.1100 0.0292 0.0133 216 PRO A C 1754 O O . PRO A 217 ? 0.6140 0.6157 0.5599 0.1161 0.0297 0.0158 216 PRO A O 1755 C CB . PRO A 217 ? 0.6202 0.5753 0.5425 0.1061 0.0275 0.0065 216 PRO A CB 1756 C CG . PRO A 217 ? 0.6198 0.5709 0.5398 0.1038 0.0281 0.0045 216 PRO A CG 1757 C CD . PRO A 217 ? 0.6088 0.5719 0.5441 0.0922 0.0255 0.0035 216 PRO A CD 1758 N N . VAL A 218 ? 0.5992 0.6105 0.5529 0.1113 0.0310 0.0148 217 VAL A N 1759 C CA . VAL A 218 ? 0.6114 0.6443 0.5728 0.1189 0.0335 0.0199 217 VAL A CA 1760 C C . VAL A 218 ? 0.5983 0.6525 0.5767 0.1117 0.0309 0.0224 217 VAL A C 1761 O O . VAL A 218 ? 0.6236 0.6974 0.6096 0.1166 0.0321 0.0271 217 VAL A O 1762 C CB . VAL A 218 ? 0.6091 0.6492 0.5710 0.1227 0.0367 0.0213 217 VAL A CB 1763 C CG1 . VAL A 218 ? 0.6002 0.6521 0.5758 0.1116 0.0348 0.0206 217 VAL A CG1 1764 C CG2 . VAL A 218 ? 0.6356 0.6934 0.5998 0.1344 0.0404 0.0269 217 VAL A CG2 1765 N N . ILE A 219 ? 0.5398 0.5905 0.5239 0.1002 0.0272 0.0194 218 ILE A N 1766 C CA . ILE A 219 ? 0.4765 0.5431 0.4737 0.0932 0.0243 0.0211 218 ILE A CA 1767 C C . ILE A 219 ? 0.4517 0.5094 0.4456 0.0914 0.0219 0.0198 218 ILE A C 1768 O O . ILE A 219 ? 0.4221 0.4606 0.4069 0.0895 0.0212 0.0162 218 ILE A O 1769 C CB . ILE A 219 ? 0.4590 0.5309 0.4661 0.0817 0.0220 0.0193 218 ILE A CB 1770 C CG1 . ILE A 219 ? 0.4533 0.5335 0.4637 0.0827 0.0244 0.0207 218 ILE A CG1 1771 C CG2 . ILE A 219 ? 0.4455 0.5319 0.4639 0.0751 0.0188 0.0211 218 ILE A CG2 1772 C CD1 . ILE A 219 ? 0.4196 0.5215 0.4371 0.0885 0.0265 0.0262 218 ILE A CD1 1773 N N . GLY A 220 ? 0.4307 0.5036 0.4325 0.0914 0.0204 0.0229 219 GLY A N 1774 C CA . GLY A 220 ? 0.4347 0.5020 0.4341 0.0905 0.0182 0.0224 219 GLY A CA 1775 C C . GLY A 220 ? 0.4067 0.4639 0.4074 0.0797 0.0153 0.0184 219 GLY A C 1776 O O . GLY A 220 ? 0.3847 0.4482 0.3935 0.0715 0.0137 0.0173 219 GLY A O 1777 N N . PRO A 221 ? 0.3991 0.4404 0.3911 0.0798 0.0146 0.0164 220 PRO A N 1778 C CA . PRO A 221 ? 0.3759 0.4096 0.3697 0.0701 0.0120 0.0132 220 PRO A CA 1779 C C . PRO A 221 ? 0.3347 0.3827 0.3391 0.0640 0.0092 0.0143 220 PRO A C 1780 O O . PRO A 221 ? 0.3211 0.3688 0.3302 0.0557 0.0075 0.0122 220 PRO A O 1781 C CB . PRO A 221 ? 0.3847 0.4008 0.3671 0.0726 0.0121 0.0120 220 PRO A CB 1782 C CG . PRO A 221 ? 0.4139 0.4335 0.3916 0.0831 0.0137 0.0152 220 PRO A CG 1783 C CD . PRO A 221 ? 0.4156 0.4457 0.3960 0.0887 0.0161 0.0172 220 PRO A CD 1784 N N . LEU A 222 ? 0.3420 0.4027 0.3499 0.0682 0.0086 0.0177 221 LEU A N 1785 C CA . LEU A 222 ? 0.3505 0.4242 0.3673 0.0620 0.0053 0.0188 221 LEU A CA 1786 C C . LEU A 222 ? 0.3434 0.4309 0.3701 0.0562 0.0043 0.0197 221 LEU A C 1787 O O . LEU A 222 ? 0.3473 0.4395 0.3794 0.0483 0.0014 0.0190 221 LEU A O 1788 C CB . LEU A 222 ? 0.3700 0.4543 0.3877 0.0677 0.0045 0.0226 221 LEU A CB 1789 C CG . LEU A 222 ? 0.3833 0.4545 0.3909 0.0734 0.0051 0.0223 221 LEU A CG 1790 C CD1 . LEU A 222 ? 0.3931 0.4776 0.4032 0.0783 0.0038 0.0263 221 LEU A CD1 1791 C CD2 . LEU A 222 ? 0.3719 0.4286 0.3759 0.0665 0.0036 0.0186 221 LEU A CD2 1792 N N . LYS A 223 ? 0.3600 0.4529 0.3880 0.0601 0.0068 0.0211 222 LYS A N 1793 C CA . LYS A 223 ? 0.3612 0.4663 0.3978 0.0548 0.0064 0.0222 222 LYS A CA 1794 C C . LYS A 223 ? 0.3253 0.4189 0.3611 0.0473 0.0059 0.0180 222 LYS A C 1795 O O . LYS A 223 ? 0.3397 0.4376 0.3809 0.0393 0.0035 0.0175 222 LYS A O 1796 C CB . LYS A 223 ? 0.3796 0.4935 0.4168 0.0624 0.0097 0.0252 222 LYS A CB 1797 C CG . LYS A 223 ? 0.3787 0.5070 0.4250 0.0575 0.0096 0.0272 222 LYS A CG 1798 C CD . LYS A 223 ? 0.4005 0.5413 0.4483 0.0659 0.0130 0.0314 222 LYS A CD 1799 C CE . LYS A 223 ? 0.4110 0.5733 0.4655 0.0700 0.0125 0.0373 222 LYS A CE 1800 N NZ . LYS A 223 ? 0.4233 0.5948 0.4849 0.0615 0.0078 0.0382 222 LYS A NZ 1801 N N . ILE A 224 ? 0.3186 0.3967 0.3466 0.0498 0.0080 0.0152 223 ILE A N 1802 C CA . ILE A 224 ? 0.3077 0.3758 0.3349 0.0434 0.0076 0.0117 223 ILE A CA 1803 C C . ILE A 224 ? 0.3068 0.3681 0.3339 0.0368 0.0050 0.0093 223 ILE A C 1804 O O . ILE A 224 ? 0.2827 0.3405 0.3116 0.0305 0.0041 0.0072 223 ILE A O 1805 C CB . ILE A 224 ? 0.3385 0.3922 0.3570 0.0472 0.0100 0.0095 223 ILE A CB 1806 C CG1 . ILE A 224 ? 0.3419 0.3895 0.3612 0.0411 0.0098 0.0068 223 ILE A CG1 1807 C CG2 . ILE A 224 ? 0.3521 0.3914 0.3616 0.0500 0.0101 0.0081 223 ILE A CG2 1808 C CD1 . ILE A 224 ? 0.3699 0.4291 0.3963 0.0387 0.0102 0.0082 223 ILE A CD1 1809 N N . ARG A 225 ? 0.2801 0.3396 0.3045 0.0388 0.0040 0.0099 224 ARG A N 1810 C CA . ARG A 225 ? 0.2739 0.3277 0.2975 0.0336 0.0018 0.0081 224 ARG A CA 1811 C C . ARG A 225 ? 0.2888 0.3509 0.3190 0.0265 -0.0006 0.0081 224 ARG A C 1812 O O . ARG A 225 ? 0.2674 0.3230 0.2969 0.0214 -0.0017 0.0059 224 ARG A O 1813 C CB . ARG A 225 ? 0.2574 0.3106 0.2775 0.0377 0.0012 0.0095 224 ARG A CB 1814 C CG . ARG A 225 ? 0.2603 0.3061 0.2781 0.0334 -0.0005 0.0077 224 ARG A CG 1815 C CD . ARG A 225 ? 0.2513 0.2970 0.2655 0.0376 -0.0011 0.0094 224 ARG A CD 1816 N NE . ARG A 225 ? 0.2674 0.3281 0.2869 0.0389 -0.0029 0.0123 224 ARG A NE 1817 C CZ . ARG A 225 ? 0.2635 0.3279 0.2811 0.0432 -0.0038 0.0145 224 ARG A CZ 1818 N NH1 . ARG A 225 ? 0.2622 0.3152 0.2722 0.0466 -0.0029 0.0140 224 ARG A NH1 1819 N NH2 . ARG A 225 ? 0.2721 0.3521 0.2953 0.0438 -0.0057 0.0175 224 ARG A NH2 1820 N N . GLU A 226 ? 0.3085 0.3848 0.3448 0.0264 -0.0013 0.0109 225 GLU A N 1821 C CA . GLU A 226 ? 0.3429 0.4267 0.3846 0.0192 -0.0040 0.0113 225 GLU A CA 1822 C C . GLU A 226 ? 0.3147 0.3912 0.3562 0.0141 -0.0036 0.0087 225 GLU A C 1823 O O . GLU A 226 ? 0.3109 0.3829 0.3517 0.0085 -0.0055 0.0070 225 GLU A O 1824 C CB . GLU A 226 ? 0.3939 0.4947 0.4423 0.0198 -0.0043 0.0153 225 GLU A CB 1825 C CG . GLU A 226 ? 0.4560 0.5676 0.5058 0.0249 -0.0050 0.0187 225 GLU A CG 1826 C CD . GLU A 226 ? 0.5450 0.6742 0.6012 0.0281 -0.0039 0.0233 225 GLU A CD 1827 O OE1 . GLU A 226 ? 0.5464 0.6788 0.6056 0.0262 -0.0025 0.0237 225 GLU A OE1 1828 O OE2 . GLU A 226 ? 0.6157 0.7566 0.6740 0.0327 -0.0044 0.0269 225 GLU A OE2 1829 N N . GLN A 227 ? 0.3139 0.3880 0.3550 0.0166 -0.0010 0.0083 226 GLN A N 1830 C CA . GLN A 227 ? 0.3197 0.3871 0.3604 0.0125 -0.0005 0.0060 226 GLN A CA 1831 C C . GLN A 227 ? 0.2724 0.3266 0.3080 0.0115 -0.0003 0.0029 226 GLN A C 1832 O O . GLN A 227 ? 0.2620 0.3116 0.2973 0.0069 -0.0011 0.0012 226 GLN A O 1833 C CB . GLN A 227 ? 0.3341 0.4023 0.3750 0.0156 0.0021 0.0064 226 GLN A CB 1834 C CG . GLN A 227 ? 0.3471 0.4094 0.3878 0.0115 0.0025 0.0043 226 GLN A CG 1835 C CD . GLN A 227 ? 0.3668 0.4160 0.4023 0.0117 0.0033 0.0013 226 GLN A CD 1836 O OE1 . GLN A 227 ? 0.4137 0.4579 0.4489 0.0075 0.0026 -0.0003 226 GLN A OE1 1837 N NE2 . GLN A 227 ? 0.3973 0.4409 0.4283 0.0165 0.0046 0.0009 226 GLN A NE2 1838 N N . GLN A 228 ? 0.2582 0.3062 0.2894 0.0161 0.0008 0.0025 227 GLN A N 1839 C CA . GLN A 228 ? 0.2432 0.2794 0.2697 0.0150 0.0012 0.0001 227 GLN A CA 1840 C C . GLN A 228 ? 0.2142 0.2487 0.2404 0.0113 -0.0005 -0.0005 227 GLN A C 1841 O O . GLN A 228 ? 0.2043 0.2328 0.2293 0.0083 -0.0005 -0.0022 227 GLN A O 1842 C CB . GLN A 228 ? 0.2597 0.2891 0.2805 0.0202 0.0026 0.0003 227 GLN A CB 1843 C CG . GLN A 228 ? 0.2776 0.3049 0.2961 0.0238 0.0046 0.0003 227 GLN A CG 1844 C CD . GLN A 228 ? 0.3029 0.3234 0.3143 0.0300 0.0059 0.0009 227 GLN A CD 1845 O OE1 . GLN A 228 ? 0.2708 0.2924 0.2805 0.0332 0.0056 0.0022 227 GLN A OE1 1846 N NE2 . GLN A 228 ? 0.3446 0.3571 0.3508 0.0318 0.0073 -0.0001 227 GLN A NE2 1847 N N . ARG A 229 ? 0.2128 0.2530 0.2400 0.0117 -0.0022 0.0008 228 ARG A N 1848 C CA . ARG A 229 ? 0.1970 0.2351 0.2228 0.0084 -0.0041 0.0001 228 ARG A CA 1849 C C . ARG A 229 ? 0.1961 0.2347 0.2236 0.0032 -0.0053 -0.0008 228 ARG A C 1850 O O . ARG A 229 ? 0.2125 0.2452 0.2370 0.0008 -0.0059 -0.0023 228 ARG A O 1851 C CB . ARG A 229 ? 0.2058 0.2509 0.2323 0.0097 -0.0060 0.0020 228 ARG A CB 1852 C CG . ARG A 229 ? 0.2049 0.2465 0.2275 0.0148 -0.0051 0.0027 228 ARG A CG 1853 C CD . ARG A 229 ? 0.2203 0.2704 0.2440 0.0166 -0.0071 0.0050 228 ARG A CD 1854 N NE . ARG A 229 ? 0.2151 0.2604 0.2339 0.0216 -0.0063 0.0057 228 ARG A NE 1855 C CZ . ARG A 229 ? 0.2297 0.2804 0.2480 0.0243 -0.0077 0.0077 228 ARG A CZ 1856 N NH1 . ARG A 229 ? 0.2352 0.2975 0.2579 0.0221 -0.0104 0.0094 228 ARG A NH1 1857 N NH2 . ARG A 229 ? 0.2282 0.2727 0.2410 0.0289 -0.0067 0.0083 228 ARG A NH2 1858 N N . SER A 230 ? 0.1827 0.2282 0.2143 0.0017 -0.0056 0.0002 229 SER A N 1859 C CA . SER A 230 ? 0.1950 0.2405 0.2273 -0.0035 -0.0071 -0.0003 229 SER A CA 1860 C C . SER A 230 ? 0.2041 0.2411 0.2342 -0.0046 -0.0055 -0.0024 229 SER A C 1861 O O . SER A 230 ? 0.2064 0.2399 0.2346 -0.0083 -0.0066 -0.0033 229 SER A O 1862 C CB . SER A 230 ? 0.1951 0.2511 0.2324 -0.0053 -0.0077 0.0019 229 SER A CB 1863 O OG . SER A 230 ? 0.2078 0.2643 0.2470 -0.0033 -0.0053 0.0019 229 SER A OG 1864 N N . ALA A 231 ? 0.1965 0.2303 0.2264 -0.0015 -0.0032 -0.0030 230 ALA A N 1865 C CA . ALA A 231 ? 0.2078 0.2351 0.2362 -0.0024 -0.0018 -0.0047 230 ALA A CA 1866 C C . ALA A 231 ? 0.2137 0.2345 0.2384 -0.0024 -0.0017 -0.0058 230 ALA A C 1867 O O . ALA A 231 ? 0.2389 0.2575 0.2620 -0.0003 -0.0011 -0.0057 230 ALA A O 1868 C CB . ALA A 231 ? 0.2094 0.2360 0.2384 0.0002 0.0000 -0.0047 230 ALA A CB 1869 N N . VAL A 232 ? 0.2114 0.2288 0.2341 -0.0047 -0.0022 -0.0067 231 VAL A N 1870 C CA . VAL A 232 ? 0.2254 0.2373 0.2442 -0.0043 -0.0017 -0.0075 231 VAL A CA 1871 C C . VAL A 232 ? 0.2188 0.2287 0.2379 -0.0025 0.0001 -0.0075 231 VAL A C 1872 O O . VAL A 232 ? 0.2141 0.2217 0.2311 -0.0015 0.0007 -0.0073 231 VAL A O 1873 C CB . VAL A 232 ? 0.2392 0.2467 0.2547 -0.0061 -0.0020 -0.0083 231 VAL A CB 1874 C CG1 . VAL A 232 ? 0.2381 0.2407 0.2491 -0.0046 -0.0012 -0.0088 231 VAL A CG1 1875 C CG2 . VAL A 232 ? 0.2543 0.2625 0.2686 -0.0092 -0.0045 -0.0082 231 VAL A CG2 1876 N N . SER A 233 ? 0.2108 0.2216 0.2322 -0.0025 0.0011 -0.0075 232 SER A N 1877 C CA . SER A 233 ? 0.2099 0.2188 0.2312 -0.0019 0.0024 -0.0074 232 SER A CA 1878 C C . SER A 233 ? 0.2117 0.2192 0.2317 -0.0006 0.0025 -0.0068 232 SER A C 1879 O O . SER A 233 ? 0.2069 0.2121 0.2257 -0.0009 0.0032 -0.0064 232 SER A O 1880 C CB . SER A 233 ? 0.2087 0.2185 0.2319 -0.0022 0.0029 -0.0076 232 SER A CB 1881 O OG . SER A 233 ? 0.1982 0.2105 0.2228 -0.0013 0.0026 -0.0074 232 SER A OG 1882 N N . THR A 234 ? 0.2150 0.2240 0.2349 0.0007 0.0018 -0.0065 233 THR A N 1883 C CA . THR A 234 ? 0.2307 0.2371 0.2480 0.0026 0.0019 -0.0058 233 THR A CA 1884 C C . THR A 234 ? 0.2167 0.2210 0.2317 0.0023 0.0019 -0.0054 233 THR A C 1885 O O . THR A 234 ? 0.2328 0.2334 0.2455 0.0022 0.0026 -0.0048 233 THR A O 1886 C CB . THR A 234 ? 0.2527 0.2624 0.2704 0.0051 0.0013 -0.0051 233 THR A CB 1887 O OG1 . THR A 234 ? 0.2903 0.3026 0.3101 0.0057 0.0017 -0.0052 233 THR A OG1 1888 C CG2 . THR A 234 ? 0.2559 0.2617 0.2698 0.0079 0.0016 -0.0043 233 THR A CG2 1889 N N . SER A 235 ? 0.2021 0.2083 0.2171 0.0019 0.0010 -0.0056 234 SER A N 1890 C CA . SER A 235 ? 0.2011 0.2052 0.2130 0.0020 0.0011 -0.0052 234 SER A CA 1891 C C . SER A 235 ? 0.1965 0.1988 0.2078 0.0011 0.0026 -0.0051 234 SER A C 1892 O O . SER A 235 ? 0.1836 0.1844 0.1928 0.0014 0.0034 -0.0041 234 SER A O 1893 C CB . SER A 235 ? 0.2124 0.2179 0.2230 0.0017 -0.0005 -0.0057 234 SER A CB 1894 O OG . SER A 235 ? 0.2162 0.2250 0.2276 0.0026 -0.0020 -0.0050 234 SER A OG 1895 N N . TRP A 236 ? 0.1827 0.1862 0.1961 0.0001 0.0030 -0.0057 235 TRP A N 1896 C CA . TRP A 236 ? 0.1836 0.1873 0.1972 -0.0002 0.0045 -0.0051 235 TRP A CA 1897 C C . TRP A 236 ? 0.1902 0.1937 0.2044 -0.0012 0.0053 -0.0038 235 TRP A C 1898 O O . TRP A 236 ? 0.2022 0.2070 0.2163 -0.0016 0.0065 -0.0024 235 TRP A O 1899 C CB . TRP A 236 ? 0.1831 0.1880 0.1987 -0.0008 0.0046 -0.0059 235 TRP A CB 1900 C CG . TRP A 236 ? 0.1819 0.1884 0.1982 -0.0006 0.0061 -0.0051 235 TRP A CG 1901 C CD1 . TRP A 236 ? 0.1890 0.1960 0.2033 0.0007 0.0075 -0.0040 235 TRP A CD1 1902 C CD2 . TRP A 236 ? 0.1891 0.1978 0.2081 -0.0014 0.0064 -0.0049 235 TRP A CD2 1903 N NE1 . TRP A 236 ? 0.1913 0.2017 0.2075 0.0010 0.0087 -0.0029 235 TRP A NE1 1904 C CE2 . TRP A 236 ? 0.1941 0.2054 0.2132 -0.0005 0.0079 -0.0035 235 TRP A CE2 1905 C CE3 . TRP A 236 ? 0.1852 0.1942 0.2063 -0.0025 0.0057 -0.0056 235 TRP A CE3 1906 C CZ2 . TRP A 236 ? 0.1936 0.2084 0.2151 -0.0008 0.0084 -0.0027 235 TRP A CZ2 1907 C CZ3 . TRP A 236 ? 0.1832 0.1945 0.2061 -0.0031 0.0061 -0.0051 235 TRP A CZ3 1908 C CH2 . TRP A 236 ? 0.1927 0.2071 0.2160 -0.0024 0.0073 -0.0037 235 TRP A CH2 1909 N N . LEU A 237 ? 0.1996 0.2015 0.2140 -0.0016 0.0046 -0.0040 236 LEU A N 1910 C CA . LEU A 237 ? 0.2101 0.2097 0.2235 -0.0033 0.0049 -0.0028 236 LEU A CA 1911 C C . LEU A 237 ? 0.2007 0.1961 0.2103 -0.0029 0.0048 -0.0018 236 LEU A C 1912 O O . LEU A 237 ? 0.2045 0.1959 0.2117 -0.0046 0.0046 -0.0009 236 LEU A O 1913 C CB . LEU A 237 ? 0.2433 0.2413 0.2571 -0.0039 0.0042 -0.0037 236 LEU A CB 1914 C CG . LEU A 237 ? 0.2835 0.2853 0.3006 -0.0049 0.0044 -0.0042 236 LEU A CG 1915 C CD1 . LEU A 237 ? 0.3244 0.3238 0.3408 -0.0054 0.0038 -0.0049 236 LEU A CD1 1916 C CD2 . LEU A 237 ? 0.3231 0.3280 0.3416 -0.0067 0.0051 -0.0026 236 LEU A CD2 1917 N N . LEU A 238 ? 0.1883 0.1840 0.1965 -0.0010 0.0048 -0.0017 237 LEU A N 1918 C CA . LEU A 238 ? 0.1884 0.1806 0.1928 -0.0006 0.0050 -0.0003 237 LEU A CA 1919 C C . LEU A 238 ? 0.1885 0.1813 0.1928 -0.0032 0.0062 0.0016 237 LEU A C 1920 O O . LEU A 238 ? 0.1674 0.1650 0.1745 -0.0039 0.0071 0.0019 237 LEU A O 1921 C CB . LEU A 238 ? 0.1975 0.1905 0.2003 0.0017 0.0046 -0.0005 237 LEU A CB 1922 C CG . LEU A 238 ? 0.2035 0.1971 0.2063 0.0040 0.0032 -0.0015 237 LEU A CG 1923 C CD1 . LEU A 238 ? 0.2173 0.2131 0.2190 0.0051 0.0024 -0.0019 237 LEU A CD1 1924 C CD2 . LEU A 238 ? 0.2234 0.2126 0.2227 0.0057 0.0030 -0.0007 237 LEU A CD2 1925 N N . PRO A 239 ? 0.1907 0.1788 0.1913 -0.0046 0.0062 0.0032 238 PRO A N 1926 C CA . PRO A 239 ? 0.1969 0.1865 0.1975 -0.0079 0.0072 0.0057 238 PRO A CA 1927 C C . PRO A 239 ? 0.2068 0.2029 0.2095 -0.0068 0.0089 0.0069 238 PRO A C 1928 O O . PRO A 239 ? 0.1973 0.1931 0.1981 -0.0036 0.0092 0.0063 238 PRO A O 1929 C CB . PRO A 239 ? 0.2027 0.1848 0.1976 -0.0085 0.0069 0.0071 238 PRO A CB 1930 C CG . PRO A 239 ? 0.2105 0.1863 0.2025 -0.0066 0.0056 0.0051 238 PRO A CG 1931 C CD . PRO A 239 ? 0.1980 0.1790 0.1939 -0.0032 0.0054 0.0029 238 PRO A CD 1932 N N . TYR A 240 ? 0.2134 0.2152 0.2192 -0.0092 0.0099 0.0089 239 TYR A N 1933 C CA . TYR A 240 ? 0.2156 0.2241 0.2228 -0.0078 0.0120 0.0108 239 TYR A CA 1934 C C . TYR A 240 ? 0.2300 0.2409 0.2365 -0.0105 0.0133 0.0147 239 TYR A C 1935 O O . TYR A 240 ? 0.2166 0.2259 0.2229 -0.0153 0.0123 0.0164 239 TYR A O 1936 C CB . TYR A 240 ? 0.2111 0.2265 0.2230 -0.0077 0.0126 0.0109 239 TYR A CB 1937 C CG . TYR A 240 ? 0.2114 0.2253 0.2237 -0.0046 0.0119 0.0076 239 TYR A CG 1938 C CD1 . TYR A 240 ? 0.2133 0.2237 0.2264 -0.0057 0.0100 0.0053 239 TYR A CD1 1939 C CD2 . TYR A 240 ? 0.2099 0.2254 0.2209 -0.0007 0.0132 0.0069 239 TYR A CD2 1940 C CE1 . TYR A 240 ? 0.2073 0.2168 0.2208 -0.0035 0.0094 0.0028 239 TYR A CE1 1941 C CE2 . TYR A 240 ? 0.2208 0.2339 0.2313 0.0012 0.0123 0.0041 239 TYR A CE2 1942 C CZ . TYR A 240 ? 0.2151 0.2259 0.2275 -0.0005 0.0104 0.0022 239 TYR A CZ 1943 O OH . TYR A 240 ? 0.2206 0.2296 0.2326 0.0008 0.0096 0.0000 239 TYR A OH 1944 N N . ASN A 241 ? 0.2280 0.2429 0.2336 -0.0077 0.0155 0.0163 240 ASN A N 1945 C CA . ASN A 241 ? 0.2555 0.2741 0.2606 -0.0100 0.0171 0.0206 240 ASN A CA 1946 C C . ASN A 241 ? 0.2617 0.2907 0.2721 -0.0135 0.0182 0.0243 240 ASN A C 1947 O O . ASN A 241 ? 0.2917 0.3248 0.3022 -0.0164 0.0194 0.0284 240 ASN A O 1948 C CB . ASN A 241 ? 0.2855 0.3051 0.2871 -0.0055 0.0194 0.0215 240 ASN A CB 1949 C CG . ASN A 241 ? 0.3031 0.3275 0.3055 -0.0004 0.0211 0.0205 240 ASN A CG 1950 O OD1 . ASN A 241 ? 0.2899 0.3198 0.2964 -0.0004 0.0214 0.0205 240 ASN A OD1 1951 N ND2 . ASN A 241 ? 0.3315 0.3529 0.3287 0.0040 0.0222 0.0196 240 ASN A ND2 1952 N N . TYR A 242 ? 0.2446 0.2784 0.2593 -0.0134 0.0177 0.0234 241 TYR A N 1953 C CA . TYR A 242 ? 0.2697 0.3144 0.2898 -0.0171 0.0183 0.0274 241 TYR A CA 1954 C C . TYR A 242 ? 0.2869 0.3282 0.3073 -0.0247 0.0153 0.0280 241 TYR A C 1955 O O . TYR A 242 ? 0.2859 0.3356 0.3101 -0.0296 0.0151 0.0319 241 TYR A O 1956 C CB . TYR A 242 ? 0.2784 0.3309 0.3026 -0.0134 0.0193 0.0269 241 TYR A CB 1957 C CG . TYR A 242 ? 0.2878 0.3341 0.3117 -0.0120 0.0173 0.0223 241 TYR A CG 1958 C CD1 . TYR A 242 ? 0.3027 0.3479 0.3287 -0.0166 0.0147 0.0216 241 TYR A CD1 1959 C CD2 . TYR A 242 ? 0.2928 0.3343 0.3138 -0.0062 0.0179 0.0189 241 TYR A CD2 1960 C CE1 . TYR A 242 ? 0.3167 0.3571 0.3426 -0.0151 0.0133 0.0178 241 TYR A CE1 1961 C CE2 . TYR A 242 ? 0.3178 0.3545 0.3389 -0.0054 0.0162 0.0152 241 TYR A CE2 1962 C CZ . TYR A 242 ? 0.3169 0.3536 0.3408 -0.0097 0.0141 0.0148 241 TYR A CZ 1963 O OH . TYR A 242 ? 0.3580 0.3906 0.3820 -0.0088 0.0126 0.0116 241 TYR A OH 1964 N N . THR A 243 ? 0.2739 0.3029 0.2897 -0.0254 0.0131 0.0246 242 THR A N 1965 C CA . THR A 243 ? 0.3060 0.3276 0.3189 -0.0318 0.0103 0.0248 242 THR A CA 1966 C C . THR A 243 ? 0.2984 0.3095 0.3045 -0.0336 0.0099 0.0254 242 THR A C 1967 O O . THR A 243 ? 0.3233 0.3312 0.3266 -0.0400 0.0086 0.0280 242 THR A O 1968 C CB . THR A 243 ? 0.3140 0.3286 0.3258 -0.0303 0.0083 0.0203 242 THR A CB 1969 O OG1 . THR A 243 ? 0.3420 0.3658 0.3597 -0.0300 0.0084 0.0203 242 THR A OG1 1970 C CG2 . THR A 243 ? 0.3567 0.3607 0.3631 -0.0352 0.0056 0.0197 242 THR A CG2 1971 N N A TRP A 244 ? 0.2702 0.2756 0.2729 -0.0281 0.0108 0.0231 243 TRP A N 1972 N N B TRP A 244 ? 0.2942 0.2996 0.2969 -0.0281 0.0108 0.0231 243 TRP A N 1973 C CA A TRP A 244 ? 0.2627 0.2571 0.2582 -0.0284 0.0103 0.0231 243 TRP A CA 1974 C CA B TRP A 244 ? 0.3007 0.2952 0.2962 -0.0285 0.0103 0.0232 243 TRP A CA 1975 C C A TRP A 244 ? 0.2730 0.2709 0.2676 -0.0266 0.0127 0.0258 243 TRP A C 1976 C C B TRP A 244 ? 0.2944 0.2924 0.2890 -0.0266 0.0127 0.0258 243 TRP A C 1977 O O A TRP A 244 ? 0.2630 0.2688 0.2609 -0.0222 0.0147 0.0257 243 TRP A O 1978 O O B TRP A 244 ? 0.2821 0.2879 0.2800 -0.0222 0.0147 0.0257 243 TRP A O 1979 C CB A TRP A 244 ? 0.2483 0.2345 0.2406 -0.0232 0.0093 0.0187 243 TRP A CB 1980 C CB B TRP A 244 ? 0.3121 0.2980 0.3042 -0.0235 0.0093 0.0189 243 TRP A CB 1981 C CG A TRP A 244 ? 0.2319 0.2146 0.2247 -0.0237 0.0073 0.0158 243 TRP A CG 1982 C CG B TRP A 244 ? 0.3337 0.3103 0.3219 -0.0256 0.0070 0.0171 243 TRP A CG 1983 C CD1 A TRP A 244 ? 0.2186 0.2077 0.2169 -0.0219 0.0073 0.0138 243 TRP A CD1 1984 C CD1 B TRP A 244 ? 0.3490 0.3139 0.3294 -0.0288 0.0057 0.0180 243 TRP A CD1 1985 C CD2 A TRP A 244 ? 0.2292 0.2004 0.2158 -0.0254 0.0054 0.0146 243 TRP A CD2 1986 C CD2 B TRP A 244 ? 0.3229 0.2992 0.3131 -0.0243 0.0058 0.0140 243 TRP A CD2 1987 N NE1 A TRP A 244 ? 0.2122 0.1953 0.2086 -0.0226 0.0055 0.0116 243 TRP A NE1 1988 N NE1 B TRP A 244 ? 0.3575 0.3146 0.3344 -0.0291 0.0038 0.0156 243 TRP A NE1 1989 C CE2 A TRP A 244 ? 0.2224 0.1944 0.2114 -0.0246 0.0043 0.0120 243 TRP A CE2 1990 C CE2 B TRP A 244 ? 0.3420 0.3066 0.3254 -0.0265 0.0039 0.0132 243 TRP A CE2 1991 C CE3 A TRP A 244 ? 0.2444 0.2036 0.2224 -0.0274 0.0045 0.0156 243 TRP A CE3 1992 C CE3 B TRP A 244 ? 0.3137 0.2978 0.3101 -0.0216 0.0062 0.0121 243 TRP A CE3 1993 C CZ2 A TRP A 244 ? 0.2281 0.1899 0.2113 -0.0253 0.0026 0.0103 243 TRP A CZ2 1994 C CZ2 B TRP A 244 ? 0.3361 0.2976 0.3190 -0.0255 0.0026 0.0105 243 TRP A CZ2 1995 C CZ3 A TRP A 244 ? 0.2493 0.1971 0.2208 -0.0279 0.0027 0.0138 243 TRP A CZ3 1996 C CZ3 B TRP A 244 ? 0.3110 0.2923 0.3074 -0.0212 0.0048 0.0096 243 TRP A CZ3 1997 C CH2 A TRP A 244 ? 0.2380 0.1875 0.2122 -0.0267 0.0018 0.0111 243 TRP A CH2 1998 C CH2 B TRP A 244 ? 0.3289 0.2995 0.3189 -0.0230 0.0031 0.0088 243 TRP A CH2 1999 N N . SER A 245 ? 0.2868 0.2776 0.2757 -0.0296 0.0125 0.0281 244 SER A N 2000 C CA . SER A 245 ? 0.3027 0.2948 0.2892 -0.0274 0.0146 0.0305 244 SER A CA 2001 C C . SER A 245 ? 0.2976 0.2864 0.2819 -0.0199 0.0150 0.0269 244 SER A C 2002 O O . SER A 245 ? 0.2901 0.2703 0.2710 -0.0177 0.0133 0.0238 244 SER A O 2003 C CB . SER A 245 ? 0.3200 0.3020 0.2992 -0.0320 0.0139 0.0331 244 SER A CB 2004 O OG . SER A 245 ? 0.3354 0.3173 0.3115 -0.0290 0.0159 0.0349 244 SER A OG 2005 N N . PRO A 246 ? 0.3152 0.3107 0.3007 -0.0159 0.0173 0.0278 245 PRO A N 2006 C CA . PRO A 246 ? 0.3284 0.3201 0.3106 -0.0097 0.0172 0.0248 245 PRO A CA 2007 C C . PRO A 246 ? 0.3372 0.3188 0.3124 -0.0087 0.0163 0.0247 245 PRO A C 2008 O O . PRO A 246 ? 0.3625 0.3406 0.3352 -0.0042 0.0152 0.0220 245 PRO A O 2009 C CB . PRO A 246 ? 0.3365 0.3362 0.3196 -0.0064 0.0200 0.0264 245 PRO A CB 2010 C CG . PRO A 246 ? 0.3476 0.3575 0.3369 -0.0093 0.0215 0.0290 245 PRO A CG 2011 C CD . PRO A 246 ? 0.3404 0.3476 0.3300 -0.0164 0.0201 0.0314 245 PRO A CD 2012 N N . GLU A 247 ? 0.3389 0.3156 0.3104 -0.0130 0.0164 0.0279 246 GLU A N 2013 C CA . GLU A 247 ? 0.3733 0.3392 0.3371 -0.0118 0.0155 0.0281 246 GLU A CA 2014 C C . GLU A 247 ? 0.3630 0.3180 0.3227 -0.0132 0.0132 0.0265 246 GLU A C 2015 O O . GLU A 247 ? 0.3762 0.3211 0.3286 -0.0115 0.0125 0.0267 246 GLU A O 2016 C CB . GLU A 247 ? 0.4182 0.3830 0.3782 -0.0152 0.0173 0.0329 246 GLU A CB 2017 C CG . GLU A 247 ? 0.4663 0.4401 0.4279 -0.0122 0.0200 0.0347 246 GLU A CG 2018 C CD . GLU A 247 ? 0.5045 0.4914 0.4738 -0.0129 0.0218 0.0357 246 GLU A CD 2019 O OE1 . GLU A 247 ? 0.5551 0.5464 0.5287 -0.0185 0.0216 0.0377 246 GLU A OE1 2020 O OE2 . GLU A 247 ? 0.5694 0.5622 0.5398 -0.0079 0.0234 0.0347 246 GLU A OE2 2021 N N . LYS A 248 ? 0.3362 0.2926 0.2998 -0.0159 0.0120 0.0249 247 LYS A N 2022 C CA . LYS A 248 ? 0.3446 0.2901 0.3034 -0.0164 0.0099 0.0231 247 LYS A CA 2023 C C . LYS A 248 ? 0.3139 0.2569 0.2713 -0.0092 0.0091 0.0198 247 LYS A C 2024 O O . LYS A 248 ? 0.2968 0.2480 0.2601 -0.0060 0.0092 0.0175 247 LYS A O 2025 C CB . LYS A 248 ? 0.3677 0.3158 0.3308 -0.0203 0.0088 0.0220 247 LYS A CB 2026 C CG . LYS A 248 ? 0.4084 0.3447 0.3655 -0.0191 0.0069 0.0196 247 LYS A CG 2027 C CD . LYS A 248 ? 0.4495 0.3844 0.4075 -0.0238 0.0054 0.0188 247 LYS A CD 2028 C CE . LYS A 248 ? 0.4593 0.3815 0.4097 -0.0209 0.0039 0.0163 247 LYS A CE 2029 N NZ . LYS A 248 ? 0.5067 0.4132 0.4451 -0.0223 0.0033 0.0180 247 LYS A NZ 2030 N N . VAL A 249 ? 0.3082 0.2399 0.2575 -0.0069 0.0083 0.0198 248 VAL A N 2031 C CA . VAL A 249 ? 0.3108 0.2411 0.2588 0.0000 0.0076 0.0173 248 VAL A CA 2032 C C . VAL A 249 ? 0.3053 0.2332 0.2540 0.0006 0.0064 0.0149 248 VAL A C 2033 O O . VAL A 249 ? 0.3270 0.2445 0.2694 -0.0017 0.0058 0.0152 248 VAL A O 2034 C CB . VAL A 249 ? 0.3343 0.2538 0.2725 0.0034 0.0075 0.0188 248 VAL A CB 2035 C CG1 . VAL A 249 ? 0.3387 0.2584 0.2759 0.0108 0.0067 0.0169 248 VAL A CG1 2036 C CG2 . VAL A 249 ? 0.3549 0.2770 0.2920 0.0030 0.0088 0.0214 248 VAL A CG2 2037 N N . PHE A 250 ? 0.2788 0.2156 0.2344 0.0036 0.0060 0.0124 249 PHE A N 2038 C CA . PHE A 250 ? 0.2842 0.2202 0.2410 0.0049 0.0052 0.0102 249 PHE A CA 2039 C C . PHE A 250 ? 0.2851 0.2176 0.2379 0.0117 0.0048 0.0094 249 PHE A C 2040 O O . PHE A 250 ? 0.2888 0.2160 0.2384 0.0135 0.0044 0.0084 249 PHE A O 2041 C CB . PHE A 250 ? 0.2670 0.2148 0.2335 0.0041 0.0051 0.0083 249 PHE A CB 2042 C CG . PHE A 250 ? 0.2626 0.2142 0.2332 -0.0017 0.0056 0.0090 249 PHE A CG 2043 C CD1 . PHE A 250 ? 0.2658 0.2131 0.2352 -0.0055 0.0049 0.0089 249 PHE A CD1 2044 C CD2 . PHE A 250 ? 0.2560 0.2156 0.2312 -0.0030 0.0066 0.0100 249 PHE A CD2 2045 C CE1 . PHE A 250 ? 0.2696 0.2218 0.2431 -0.0109 0.0051 0.0100 249 PHE A CE1 2046 C CE2 . PHE A 250 ? 0.2507 0.2152 0.2298 -0.0076 0.0072 0.0112 249 PHE A CE2 2047 C CZ . PHE A 250 ? 0.2558 0.2174 0.2347 -0.0117 0.0064 0.0113 249 PHE A CZ 2048 N N . VAL A 251 ? 0.2708 0.2072 0.2237 0.0156 0.0048 0.0101 250 VAL A N 2049 C CA . VAL A 251 ? 0.2703 0.2066 0.2207 0.0224 0.0043 0.0100 250 VAL A CA 2050 C C . VAL A 251 ? 0.2907 0.2223 0.2346 0.0253 0.0045 0.0121 250 VAL A C 2051 O O . VAL A 251 ? 0.2724 0.2093 0.2188 0.0240 0.0044 0.0128 250 VAL A O 2052 C CB . VAL A 251 ? 0.2603 0.2101 0.2194 0.0245 0.0034 0.0085 250 VAL A CB 2053 C CG1 . VAL A 251 ? 0.2667 0.2190 0.2240 0.0315 0.0028 0.0092 250 VAL A CG1 2054 C CG2 . VAL A 251 ? 0.2560 0.2099 0.2208 0.0224 0.0033 0.0066 250 VAL A CG2 2055 N N . GLN A 252 ? 0.3088 0.2299 0.2436 0.0297 0.0047 0.0131 251 GLN A N 2056 C CA . GLN A 252 ? 0.3401 0.2566 0.2681 0.0340 0.0048 0.0153 251 GLN A CA 2057 C C . GLN A 252 ? 0.3423 0.2630 0.2697 0.0422 0.0043 0.0155 251 GLN A C 2058 O O . GLN A 252 ? 0.3409 0.2594 0.2668 0.0455 0.0046 0.0147 251 GLN A O 2059 C CB . GLN A 252 ? 0.3879 0.2869 0.3036 0.0333 0.0056 0.0170 251 GLN A CB 2060 C CG . GLN A 252 ? 0.4411 0.3347 0.3554 0.0250 0.0060 0.0179 251 GLN A CG 2061 C CD . GLN A 252 ? 0.4927 0.3678 0.3932 0.0244 0.0064 0.0200 251 GLN A CD 2062 O OE1 . GLN A 252 ? 0.4915 0.3601 0.3844 0.0287 0.0067 0.0219 251 GLN A OE1 2063 N NE2 . GLN A 252 ? 0.5394 0.4052 0.4358 0.0191 0.0061 0.0197 251 GLN A NE2 2064 N N . THR A 253 ? 0.3637 0.2900 0.2913 0.0458 0.0037 0.0168 252 THR A N 2065 C CA . THR A 253 ? 0.3983 0.3298 0.3250 0.0539 0.0031 0.0179 252 THR A CA 2066 C C . THR A 253 ? 0.4434 0.3677 0.3612 0.0578 0.0032 0.0205 252 THR A C 2067 O O . THR A 253 ? 0.4723 0.3889 0.3859 0.0536 0.0038 0.0212 252 THR A O 2068 C CB . THR A 253 ? 0.3972 0.3468 0.3349 0.0540 0.0013 0.0172 252 THR A CB 2069 O OG1 . THR A 253 ? 0.4230 0.3766 0.3608 0.0532 0.0001 0.0182 252 THR A OG1 2070 C CG2 . THR A 253 ? 0.3819 0.3378 0.3283 0.0478 0.0010 0.0147 252 THR A CG2 2071 N N . PRO A 254 ? 0.5140 0.4415 0.4290 0.0661 0.0028 0.0222 253 PRO A N 2072 C CA . PRO A 254 ? 0.5643 0.4845 0.4701 0.0704 0.0030 0.0249 253 PRO A CA 2073 C C . PRO A 254 ? 0.5637 0.4903 0.4727 0.0668 0.0018 0.0253 253 PRO A C 2074 O O . PRO A 254 ? 0.6208 0.5384 0.5216 0.0675 0.0024 0.0272 253 PRO A O 2075 C CB . PRO A 254 ? 0.5654 0.4921 0.4699 0.0803 0.0026 0.0268 253 PRO A CB 2076 C CG . PRO A 254 ? 0.5633 0.4947 0.4726 0.0816 0.0031 0.0253 253 PRO A CG 2077 C CD . PRO A 254 ? 0.5155 0.4535 0.4349 0.0723 0.0024 0.0225 253 PRO A CD 2078 N N . THR A 255 ? 0.5327 0.4734 0.4524 0.0627 0.0002 0.0236 254 THR A N 2079 C CA . THR A 255 ? 0.5341 0.4806 0.4557 0.0600 -0.0009 0.0239 254 THR A CA 2080 C C . THR A 255 ? 0.5027 0.4509 0.4294 0.0520 -0.0006 0.0219 254 THR A C 2081 O O . THR A 255 ? 0.5482 0.4992 0.4748 0.0502 -0.0012 0.0220 254 THR A O 2082 C CB . THR A 255 ? 0.5413 0.5035 0.4693 0.0629 -0.0038 0.0240 254 THR A CB 2083 O OG1 . THR A 255 ? 0.5784 0.5500 0.5155 0.0605 -0.0045 0.0220 254 THR A OG1 2084 C CG2 . THR A 255 ? 0.5697 0.5328 0.4926 0.0717 -0.0042 0.0269 254 THR A CG2 2085 N N . ILE A 256 ? 0.4285 0.3751 0.3591 0.0478 0.0003 0.0200 255 ILE A N 2086 C CA . ILE A 256 ? 0.3973 0.3471 0.3332 0.0412 0.0007 0.0184 255 ILE A CA 2087 C C . ILE A 256 ? 0.3593 0.3037 0.2967 0.0370 0.0023 0.0173 255 ILE A C 2088 O O . ILE A 256 ? 0.3855 0.3271 0.3224 0.0390 0.0024 0.0168 255 ILE A O 2089 C CB . ILE A 256 ? 0.4156 0.3786 0.3596 0.0403 -0.0014 0.0165 255 ILE A CB 2090 C CG1 . ILE A 256 ? 0.4150 0.3803 0.3625 0.0347 -0.0009 0.0150 255 ILE A CG1 2091 C CG2 . ILE A 256 ? 0.4481 0.4172 0.3980 0.0414 -0.0022 0.0153 255 ILE A CG2 2092 C CD1 . ILE A 256 ? 0.4046 0.3799 0.3570 0.0338 -0.0033 0.0133 255 ILE A CD1 2093 N N A ASN A 257 ? 0.3346 0.2776 0.2732 0.0314 0.0035 0.0172 256 ASN A N 2094 N N B ASN A 257 ? 0.3263 0.2695 0.2652 0.0314 0.0035 0.0171 256 ASN A N 2095 C CA A ASN A 257 ? 0.3263 0.2667 0.2676 0.0262 0.0046 0.0164 256 ASN A CA 2096 C CA B ASN A 257 ? 0.3104 0.2520 0.2527 0.0271 0.0043 0.0159 256 ASN A CA 2097 C C A ASN A 257 ? 0.2968 0.2474 0.2469 0.0230 0.0043 0.0143 256 ASN A C 2098 C C B ASN A 257 ? 0.2893 0.2400 0.2395 0.0231 0.0043 0.0142 256 ASN A C 2099 O O A ASN A 257 ? 0.2967 0.2532 0.2485 0.0232 0.0039 0.0140 256 ASN A O 2100 O O B ASN A 257 ? 0.2891 0.2455 0.2408 0.0232 0.0039 0.0141 256 ASN A O 2101 C CB A ASN A 257 ? 0.3277 0.2602 0.2639 0.0221 0.0063 0.0187 256 ASN A CB 2102 C CB B ASN A 257 ? 0.3117 0.2413 0.2474 0.0239 0.0057 0.0176 256 ASN A CB 2103 C CG A ASN A 257 ? 0.3428 0.2619 0.2690 0.0238 0.0067 0.0207 256 ASN A CG 2104 C CG B ASN A 257 ? 0.3112 0.2394 0.2450 0.0200 0.0070 0.0197 256 ASN A CG 2105 O OD1 A ASN A 257 ? 0.3494 0.2637 0.2728 0.0271 0.0061 0.0199 256 ASN A OD1 2106 O OD1 B ASN A 257 ? 0.2871 0.2233 0.2267 0.0171 0.0076 0.0193 256 ASN A OD1 2107 N ND2 A ASN A 257 ? 0.3560 0.2685 0.2761 0.0218 0.0078 0.0233 256 ASN A ND2 2108 N ND2 B ASN A 257 ? 0.3229 0.2406 0.2477 0.0203 0.0077 0.0223 256 ASN A ND2 2109 N N . TYR A 258 ? 0.2746 0.2260 0.2289 0.0201 0.0046 0.0129 257 TYR A N 2110 C CA . TYR A 258 ? 0.2559 0.2155 0.2176 0.0170 0.0046 0.0112 257 TYR A CA 2111 C C . TYR A 258 ? 0.2553 0.2129 0.2187 0.0119 0.0060 0.0116 257 TYR A C 2112 O O . TYR A 258 ? 0.2614 0.2139 0.2235 0.0106 0.0059 0.0115 257 TYR A O 2113 C CB . TYR A 258 ? 0.2434 0.2092 0.2105 0.0186 0.0032 0.0090 257 TYR A CB 2114 C CG . TYR A 258 ? 0.2447 0.2148 0.2114 0.0229 0.0014 0.0089 257 TYR A CG 2115 C CD1 . TYR A 258 ? 0.2433 0.2199 0.2118 0.0229 0.0000 0.0083 257 TYR A CD1 2116 C CD2 . TYR A 258 ? 0.2611 0.2291 0.2251 0.0272 0.0009 0.0097 257 TYR A CD2 2117 C CE1 . TYR A 258 ? 0.2485 0.2301 0.2169 0.0261 -0.0020 0.0085 257 TYR A CE1 2118 C CE2 . TYR A 258 ? 0.2673 0.2414 0.2318 0.0313 -0.0007 0.0102 257 TYR A CE2 2119 C CZ . TYR A 258 ? 0.2658 0.2472 0.2329 0.0303 -0.0025 0.0097 257 TYR A CZ 2120 O OH . TYR A 258 ? 0.2822 0.2707 0.2501 0.0336 -0.0047 0.0105 257 TYR A OH 2121 N N . THR A 259 ? 0.2423 0.2043 0.2079 0.0095 0.0072 0.0123 258 THR A N 2122 C CA . THR A 259 ? 0.2356 0.1999 0.2046 0.0049 0.0085 0.0130 258 THR A CA 2123 C C . THR A 259 ? 0.2280 0.2004 0.2035 0.0049 0.0083 0.0109 258 THR A C 2124 O O . THR A 259 ? 0.2105 0.1858 0.1872 0.0077 0.0071 0.0089 258 THR A O 2125 C CB . THR A 259 ? 0.2387 0.2037 0.2056 0.0029 0.0104 0.0160 258 THR A CB 2126 O OG1 . THR A 259 ? 0.2334 0.2042 0.2013 0.0054 0.0111 0.0155 258 THR A OG1 2127 C CG2 . THR A 259 ? 0.2557 0.2122 0.2151 0.0033 0.0106 0.0184 258 THR A CG2 2128 N N . LEU A 260 ? 0.2178 0.1940 0.1972 0.0015 0.0095 0.0115 259 LEU A N 2129 C CA . LEU A 260 ? 0.2186 0.2014 0.2030 0.0020 0.0096 0.0097 259 LEU A CA 2130 C C . LEU A 260 ? 0.2154 0.2016 0.1985 0.0046 0.0104 0.0096 259 LEU A C 2131 O O . LEU A 260 ? 0.2347 0.2243 0.2199 0.0057 0.0103 0.0079 259 LEU A O 2132 C CB . LEU A 260 ? 0.2202 0.2070 0.2089 -0.0016 0.0106 0.0107 259 LEU A CB 2133 C CG . LEU A 260 ? 0.2330 0.2233 0.2219 -0.0040 0.0127 0.0142 259 LEU A CG 2134 C CD1 . LEU A 260 ? 0.2356 0.2323 0.2256 -0.0013 0.0146 0.0147 259 LEU A CD1 2135 C CD2 . LEU A 260 ? 0.2449 0.2376 0.2374 -0.0088 0.0125 0.0155 259 LEU A CD2 2136 N N . ARG A 261 ? 0.2105 0.1946 0.1891 0.0058 0.0113 0.0114 260 ARG A N 2137 C CA . ARG A 261 ? 0.2177 0.2032 0.1931 0.0088 0.0118 0.0111 260 ARG A CA 2138 C C . ARG A 261 ? 0.2231 0.2060 0.1954 0.0115 0.0093 0.0090 260 ARG A C 2139 O O . ARG A 261 ? 0.2263 0.2089 0.1945 0.0137 0.0091 0.0085 260 ARG A O 2140 C CB . ARG A 261 ? 0.2215 0.2066 0.1930 0.0089 0.0142 0.0144 260 ARG A CB 2141 C CG . ARG A 261 ? 0.2236 0.2139 0.1987 0.0062 0.0167 0.0172 260 ARG A CG 2142 C CD . ARG A 261 ? 0.2337 0.2265 0.2056 0.0073 0.0196 0.0205 260 ARG A CD 2143 N NE . ARG A 261 ? 0.2425 0.2303 0.2100 0.0061 0.0196 0.0228 260 ARG A NE 2144 C CZ . ARG A 261 ? 0.2536 0.2424 0.2174 0.0069 0.0219 0.0260 260 ARG A CZ 2145 N NH1 . ARG A 261 ? 0.2657 0.2608 0.2295 0.0092 0.0246 0.0274 260 ARG A NH1 2146 N NH2 . ARG A 261 ? 0.2666 0.2496 0.2257 0.0059 0.0217 0.0280 260 ARG A NH2 2147 N N . ASP A 262 ? 0.2110 0.1922 0.1848 0.0113 0.0074 0.0081 261 ASP A N 2148 C CA . ASP A 262 ? 0.2179 0.1984 0.1894 0.0138 0.0049 0.0070 261 ASP A CA 2149 C C . ASP A 262 ? 0.2076 0.1914 0.1832 0.0136 0.0028 0.0047 261 ASP A C 2150 O O . ASP A 262 ? 0.2068 0.1916 0.1822 0.0153 0.0007 0.0044 261 ASP A O 2151 C CB . ASP A 262 ? 0.2297 0.2057 0.1981 0.0150 0.0047 0.0087 261 ASP A CB 2152 C CG . ASP A 262 ? 0.2368 0.2090 0.2002 0.0149 0.0066 0.0113 261 ASP A CG 2153 O OD1 . ASP A 262 ? 0.2419 0.2151 0.2023 0.0161 0.0072 0.0118 261 ASP A OD1 2154 O OD2 . ASP A 262 ? 0.2603 0.2277 0.2220 0.0136 0.0076 0.0131 261 ASP A OD2 2155 N N . TYR A 263 ? 0.2067 0.1929 0.1863 0.0117 0.0033 0.0033 262 TYR A N 2156 C CA . TYR A 263 ? 0.2069 0.1962 0.1904 0.0111 0.0014 0.0015 262 TYR A CA 2157 C C . TYR A 263 ? 0.2183 0.2096 0.2001 0.0118 -0.0012 0.0003 262 TYR A C 2158 O O . TYR A 263 ? 0.2140 0.2088 0.1987 0.0118 -0.0032 0.0000 262 TYR A O 2159 C CB . TYR A 263 ? 0.2058 0.1967 0.1932 0.0091 0.0024 0.0004 262 TYR A CB 2160 C CG . TYR A 263 ? 0.1963 0.1866 0.1865 0.0075 0.0042 0.0014 262 TYR A CG 2161 C CD1 . TYR A 263 ? 0.2123 0.1999 0.2021 0.0078 0.0040 0.0023 262 TYR A CD1 2162 C CD2 . TYR A 263 ? 0.2005 0.1923 0.1927 0.0060 0.0059 0.0017 262 TYR A CD2 2163 C CE1 . TYR A 263 ? 0.2144 0.1998 0.2051 0.0056 0.0051 0.0032 262 TYR A CE1 2164 C CE2 . TYR A 263 ? 0.1960 0.1877 0.1905 0.0038 0.0069 0.0029 262 TYR A CE2 2165 C CZ . TYR A 263 ? 0.2027 0.1907 0.1961 0.0032 0.0064 0.0035 262 TYR A CZ 2166 O OH . TYR A 263 ? 0.2020 0.1885 0.1963 0.0003 0.0070 0.0045 262 TYR A OH 2167 N N . ARG A 264 ? 0.2184 0.2078 0.1954 0.0122 -0.0014 0.0000 263 ARG A N 2168 C CA . ARG A 264 ? 0.2389 0.2292 0.2131 0.0120 -0.0046 -0.0010 263 ARG A CA 2169 C C . ARG A 264 ? 0.2367 0.2299 0.2109 0.0136 -0.0066 0.0002 263 ARG A C 2170 O O . ARG A 264 ? 0.2294 0.2273 0.2061 0.0127 -0.0094 -0.0001 263 ARG A O 2171 C CB . ARG A 264 ? 0.2570 0.2430 0.2240 0.0126 -0.0044 -0.0016 263 ARG A CB 2172 C CG . ARG A 264 ? 0.2862 0.2715 0.2492 0.0110 -0.0082 -0.0033 263 ARG A CG 2173 C CD . ARG A 264 ? 0.3181 0.2968 0.2719 0.0122 -0.0078 -0.0041 263 ARG A CD 2174 N NE . ARG A 264 ? 0.3647 0.3398 0.3125 0.0100 -0.0113 -0.0061 263 ARG A NE 2175 C CZ . ARG A 264 ? 0.4028 0.3778 0.3461 0.0089 -0.0152 -0.0062 263 ARG A CZ 2176 N NH1 . ARG A 264 ? 0.4135 0.3927 0.3582 0.0104 -0.0160 -0.0045 263 ARG A NH1 2177 N NH2 . ARG A 264 ? 0.3959 0.3663 0.3327 0.0060 -0.0186 -0.0081 263 ARG A NH2 2178 N N . LYS A 265 ? 0.2317 0.2224 0.2032 0.0159 -0.0052 0.0019 264 LYS A N 2179 C CA . LYS A 265 ? 0.2524 0.2450 0.2231 0.0185 -0.0067 0.0035 264 LYS A CA 2180 C C . LYS A 265 ? 0.2387 0.2351 0.2148 0.0192 -0.0069 0.0038 264 LYS A C 2181 O O . LYS A 265 ? 0.2389 0.2405 0.2163 0.0208 -0.0091 0.0046 264 LYS A O 2182 C CB . LYS A 265 ? 0.2663 0.2536 0.2324 0.0208 -0.0045 0.0055 264 LYS A CB 2183 C CG . LYS A 265 ? 0.2947 0.2784 0.2548 0.0212 -0.0037 0.0059 264 LYS A CG 2184 C CD . LYS A 265 ? 0.2877 0.2672 0.2429 0.0237 -0.0024 0.0084 264 LYS A CD 2185 C CE . LYS A 265 ? 0.2879 0.2632 0.2440 0.0230 0.0004 0.0099 264 LYS A CE 2186 N NZ . LYS A 265 ? 0.2823 0.2524 0.2321 0.0246 0.0018 0.0125 264 LYS A NZ 2187 N N . PHE A 266 ? 0.2349 0.2288 0.2137 0.0183 -0.0046 0.0036 265 PHE A N 2188 C CA . PHE A 266 ? 0.2342 0.2302 0.2169 0.0192 -0.0044 0.0038 265 PHE A CA 2189 C C . PHE A 266 ? 0.2354 0.2393 0.2231 0.0182 -0.0066 0.0029 265 PHE A C 2190 O O . PHE A 266 ? 0.2346 0.2436 0.2242 0.0206 -0.0077 0.0040 265 PHE A O 2191 C CB . PHE A 266 ? 0.2426 0.2343 0.2268 0.0173 -0.0019 0.0033 265 PHE A CB 2192 C CG . PHE A 266 ? 0.2395 0.2319 0.2266 0.0182 -0.0016 0.0031 265 PHE A CG 2193 C CD1 . PHE A 266 ? 0.2498 0.2380 0.2335 0.0215 -0.0009 0.0044 265 PHE A CD1 2194 C CD2 . PHE A 266 ? 0.2431 0.2392 0.2352 0.0160 -0.0017 0.0017 265 PHE A CD2 2195 C CE1 . PHE A 266 ? 0.2594 0.2469 0.2442 0.0229 -0.0004 0.0042 265 PHE A CE1 2196 C CE2 . PHE A 266 ? 0.2422 0.2387 0.2363 0.0170 -0.0012 0.0016 265 PHE A CE2 2197 C CZ . PHE A 266 ? 0.2459 0.2381 0.2362 0.0207 -0.0005 0.0028 265 PHE A CZ 2198 N N . PHE A 267 ? 0.2223 0.2271 0.2115 0.0147 -0.0072 0.0013 266 PHE A N 2199 C CA . PHE A 267 ? 0.2314 0.2430 0.2248 0.0126 -0.0095 0.0006 266 PHE A CA 2200 C C . PHE A 267 ? 0.2537 0.2711 0.2462 0.0128 -0.0128 0.0016 266 PHE A C 2201 O O . PHE A 267 ? 0.2604 0.2862 0.2574 0.0127 -0.0145 0.0027 266 PHE A O 2202 C CB . PHE A 267 ? 0.2288 0.2380 0.2224 0.0089 -0.0093 -0.0012 266 PHE A CB 2203 C CG . PHE A 267 ? 0.2344 0.2417 0.2313 0.0084 -0.0068 -0.0019 266 PHE A CG 2204 C CD1 . PHE A 267 ? 0.2386 0.2503 0.2404 0.0086 -0.0067 -0.0016 266 PHE A CD1 2205 C CD2 . PHE A 267 ? 0.2292 0.2312 0.2242 0.0078 -0.0046 -0.0025 266 PHE A CD2 2206 C CE1 . PHE A 267 ? 0.2477 0.2573 0.2518 0.0079 -0.0046 -0.0022 266 PHE A CE1 2207 C CE2 . PHE A 267 ? 0.2328 0.2341 0.2309 0.0069 -0.0027 -0.0029 266 PHE A CE2 2208 C CZ . PHE A 267 ? 0.2412 0.2457 0.2436 0.0068 -0.0029 -0.0029 266 PHE A CZ 2209 N N . GLN A 268 ? 0.2608 0.2748 0.2477 0.0133 -0.0138 0.0017 267 GLN A N 2210 C CA . GLN A 268 ? 0.2778 0.2974 0.2632 0.0138 -0.0172 0.0030 267 GLN A CA 2211 C C . GLN A 268 ? 0.2726 0.2981 0.2604 0.0183 -0.0171 0.0055 267 GLN A C 2212 O O . GLN A 268 ? 0.2699 0.3052 0.2614 0.0184 -0.0196 0.0070 267 GLN A O 2213 C CB . GLN A 268 ? 0.2916 0.3054 0.2693 0.0144 -0.0178 0.0028 267 GLN A CB 2214 C CG . GLN A 268 ? 0.3211 0.3290 0.2941 0.0109 -0.0185 0.0005 267 GLN A CG 2215 C CD . GLN A 268 ? 0.3650 0.3669 0.3297 0.0124 -0.0186 0.0005 267 GLN A CD 2216 O OE1 . GLN A 268 ? 0.3601 0.3587 0.3226 0.0157 -0.0160 0.0016 267 GLN A OE1 2217 N NE2 . GLN A 268 ? 0.3972 0.3972 0.3563 0.0098 -0.0218 -0.0006 267 GLN A NE2 2218 N N . ASP A 269 ? 0.2621 0.2816 0.2478 0.0220 -0.0140 0.0062 268 ASP A N 2219 C CA . ASP A 269 ? 0.2753 0.2974 0.2605 0.0274 -0.0136 0.0086 268 ASP A CA 2220 C C . ASP A 269 ? 0.2941 0.3222 0.2848 0.0295 -0.0128 0.0095 268 ASP A C 2221 O O . ASP A 269 ? 0.2986 0.3323 0.2898 0.0344 -0.0131 0.0118 268 ASP A O 2222 C CB . ASP A 269 ? 0.2714 0.2831 0.2507 0.0304 -0.0108 0.0091 268 ASP A CB 2223 C CG . ASP A 269 ? 0.2810 0.2881 0.2543 0.0298 -0.0114 0.0092 268 ASP A CG 2224 O OD1 . ASP A 269 ? 0.2604 0.2722 0.2333 0.0281 -0.0143 0.0089 268 ASP A OD1 2225 O OD2 . ASP A 269 ? 0.2661 0.2645 0.2345 0.0310 -0.0090 0.0097 268 ASP A OD2 2226 N N . ILE A 270 ? 0.3076 0.3347 0.3020 0.0266 -0.0115 0.0078 269 ILE A N 2227 C CA . ILE A 270 ? 0.3274 0.3608 0.3269 0.0284 -0.0108 0.0086 269 ILE A CA 2228 C C . ILE A 270 ? 0.3476 0.3936 0.3533 0.0253 -0.0136 0.0093 269 ILE A C 2229 O O . ILE A 270 ? 0.3737 0.4269 0.3841 0.0267 -0.0130 0.0104 269 ILE A O 2230 C CB . ILE A 270 ? 0.3087 0.3352 0.3088 0.0271 -0.0080 0.0068 269 ILE A CB 2231 C CG1 . ILE A 270 ? 0.2890 0.3150 0.2918 0.0210 -0.0086 0.0046 269 ILE A CG1 2232 C CG2 . ILE A 270 ? 0.3308 0.3452 0.3246 0.0292 -0.0056 0.0066 269 ILE A CG2 2233 C CD1 . ILE A 270 ? 0.2858 0.3060 0.2894 0.0197 -0.0062 0.0031 269 ILE A CD1 2234 N N . GLY A 271 ? 0.3438 0.3914 0.3488 0.0209 -0.0165 0.0086 270 GLY A N 2235 C CA . GLY A 271 ? 0.3614 0.4195 0.3710 0.0165 -0.0198 0.0093 270 GLY A CA 2236 C C . GLY A 271 ? 0.3529 0.4095 0.3655 0.0114 -0.0194 0.0074 270 GLY A C 2237 O O . GLY A 271 ? 0.3429 0.4091 0.3609 0.0091 -0.0208 0.0087 270 GLY A O 2238 N N . PHE A 272 ? 0.3074 0.3528 0.3166 0.0098 -0.0175 0.0047 271 PHE A N 2239 C CA . PHE A 272 ? 0.2851 0.3283 0.2964 0.0058 -0.0169 0.0030 271 PHE A CA 2240 C C . PHE A 272 ? 0.2916 0.3247 0.2973 0.0027 -0.0169 0.0005 271 PHE A C 2241 O O . PHE A 272 ? 0.2559 0.2816 0.2602 0.0035 -0.0141 -0.0008 271 PHE A O 2242 C CB . PHE A 272 ? 0.2871 0.3282 0.3011 0.0086 -0.0133 0.0028 271 PHE A CB 2243 C CG . PHE A 272 ? 0.2829 0.3228 0.2994 0.0049 -0.0127 0.0013 271 PHE A CG 2244 C CD1 . PHE A 272 ? 0.2919 0.3392 0.3121 0.0010 -0.0149 0.0021 271 PHE A CD1 2245 C CD2 . PHE A 272 ? 0.2687 0.3006 0.2839 0.0051 -0.0100 -0.0003 271 PHE A CD2 2246 C CE1 . PHE A 272 ? 0.2878 0.3331 0.3096 -0.0022 -0.0142 0.0009 271 PHE A CE1 2247 C CE2 . PHE A 272 ? 0.2783 0.3092 0.2956 0.0021 -0.0094 -0.0015 271 PHE A CE2 2248 C CZ . PHE A 272 ? 0.2712 0.3082 0.2914 -0.0013 -0.0114 -0.0009 271 PHE A CZ 2249 N N . GLU A 273 ? 0.3098 0.3429 0.3120 -0.0005 -0.0202 0.0002 272 GLU A N 2250 C CA . GLU A 273 ? 0.3361 0.3590 0.3311 -0.0023 -0.0203 -0.0019 272 GLU A CA 2251 C C . GLU A 273 ? 0.3038 0.3214 0.2987 -0.0049 -0.0190 -0.0037 272 GLU A C 2252 O O . GLU A 273 ? 0.2903 0.2994 0.2806 -0.0040 -0.0170 -0.0052 272 GLU A O 2253 C CB . GLU A 273 ? 0.4127 0.4357 0.4024 -0.0052 -0.0245 -0.0018 272 GLU A CB 2254 C CG . GLU A 273 ? 0.5069 0.5323 0.4947 -0.0014 -0.0251 -0.0003 272 GLU A CG 2255 C CD . GLU A 273 ? 0.6265 0.6531 0.6089 -0.0041 -0.0297 0.0000 272 GLU A CD 2256 O OE1 . GLU A 273 ? 0.6840 0.7087 0.6633 -0.0095 -0.0329 -0.0010 272 GLU A OE1 2257 O OE2 . GLU A 273 ? 0.7128 0.7416 0.6934 -0.0009 -0.0304 0.0013 272 GLU A OE2 2258 N N . ASP A 274 ? 0.2994 0.3223 0.2994 -0.0076 -0.0196 -0.0033 273 ASP A N 2259 C CA . ASP A 274 ? 0.2927 0.3105 0.2927 -0.0096 -0.0181 -0.0048 273 ASP A CA 2260 C C . ASP A 274 ? 0.2732 0.2868 0.2743 -0.0060 -0.0140 -0.0055 273 ASP A C 2261 O O . ASP A 274 ? 0.2596 0.2670 0.2582 -0.0065 -0.0125 -0.0069 273 ASP A O 2262 C CB . ASP A 274 ? 0.3182 0.3436 0.3244 -0.0125 -0.0190 -0.0036 273 ASP A CB 2263 C CG . ASP A 274 ? 0.3545 0.3831 0.3592 -0.0183 -0.0234 -0.0029 273 ASP A CG 2264 O OD1 . ASP A 274 ? 0.3893 0.4116 0.3867 -0.0205 -0.0259 -0.0039 273 ASP A OD1 2265 O OD2 . ASP A 274 ? 0.3893 0.4264 0.3998 -0.0207 -0.0243 -0.0012 273 ASP A OD2 2266 N N . GLY A 275 ? 0.2480 0.2649 0.2523 -0.0024 -0.0122 -0.0044 274 GLY A N 2267 C CA . GLY A 275 ? 0.2430 0.2558 0.2478 0.0000 -0.0089 -0.0048 274 GLY A CA 2268 C C . GLY A 275 ? 0.2385 0.2442 0.2380 0.0008 -0.0075 -0.0056 274 GLY A C 2269 O O . GLY A 275 ? 0.2346 0.2372 0.2342 0.0012 -0.0052 -0.0061 274 GLY A O 2270 N N . TRP A 276 ? 0.2308 0.2345 0.2253 0.0011 -0.0090 -0.0055 275 TRP A N 2271 C CA . TRP A 276 ? 0.2443 0.2416 0.2328 0.0024 -0.0076 -0.0061 275 TRP A CA 2272 C C . TRP A 276 ? 0.2380 0.2304 0.2230 0.0008 -0.0074 -0.0077 275 TRP A C 2273 O O . TRP A 276 ? 0.2262 0.2151 0.2092 0.0025 -0.0048 -0.0078 275 TRP A O 2274 C CB . TRP A 276 ? 0.2531 0.2491 0.2361 0.0033 -0.0094 -0.0057 275 TRP A CB 2275 C CG . TRP A 276 ? 0.2707 0.2599 0.2464 0.0047 -0.0082 -0.0063 275 TRP A CG 2276 C CD1 . TRP A 276 ? 0.2903 0.2744 0.2581 0.0039 -0.0102 -0.0075 275 TRP A CD1 2277 C CD2 . TRP A 276 ? 0.2651 0.2521 0.2399 0.0072 -0.0045 -0.0055 275 TRP A CD2 2278 N NE1 . TRP A 276 ? 0.2874 0.2660 0.2492 0.0067 -0.0076 -0.0075 275 TRP A NE1 2279 C CE2 . TRP A 276 ? 0.2916 0.2729 0.2582 0.0086 -0.0041 -0.0061 275 TRP A CE2 2280 C CE3 . TRP A 276 ? 0.2718 0.2610 0.2513 0.0081 -0.0018 -0.0041 275 TRP A CE3 2281 C CZ2 . TRP A 276 ? 0.3027 0.2821 0.2669 0.0114 -0.0005 -0.0049 275 TRP A CZ2 2282 C CZ3 . TRP A 276 ? 0.2867 0.2740 0.2640 0.0099 0.0012 -0.0030 275 TRP A CZ3 2283 C CH2 . TRP A 276 ? 0.2902 0.2736 0.2605 0.0117 0.0019 -0.0032 275 TRP A CH2 2284 N N . LEU A 277 ? 0.2415 0.2340 0.2255 -0.0022 -0.0103 -0.0084 276 LEU A N 2285 C CA . LEU A 277 ? 0.2523 0.2384 0.2316 -0.0038 -0.0104 -0.0099 276 LEU A CA 2286 C C . LEU A 277 ? 0.2456 0.2328 0.2298 -0.0032 -0.0077 -0.0099 276 LEU A C 2287 O O . LEU A 277 ? 0.2519 0.2339 0.2323 -0.0016 -0.0057 -0.0106 276 LEU A O 2288 C CB . LEU A 277 ? 0.2657 0.2514 0.2428 -0.0084 -0.0145 -0.0104 276 LEU A CB 2289 C CG . LEU A 277 ? 0.2792 0.2647 0.2514 -0.0100 -0.0180 -0.0103 276 LEU A CG 2290 C CD1 . LEU A 277 ? 0.2927 0.2790 0.2635 -0.0159 -0.0224 -0.0103 276 LEU A CD1 2291 C CD2 . LEU A 277 ? 0.2967 0.2725 0.2585 -0.0076 -0.0174 -0.0115 276 LEU A CD2 2292 N N . MET A 278 ? 0.2426 0.2367 0.2347 -0.0038 -0.0074 -0.0091 277 MET A N 2293 C CA . MET A 278 ? 0.2424 0.2378 0.2390 -0.0031 -0.0050 -0.0090 277 MET A CA 2294 C C . MET A 278 ? 0.2386 0.2329 0.2352 -0.0002 -0.0019 -0.0084 277 MET A C 2295 O O . MET A 278 ? 0.2349 0.2277 0.2315 0.0005 -0.0001 -0.0086 277 MET A O 2296 C CB . MET A 278 ? 0.2593 0.2616 0.2630 -0.0036 -0.0052 -0.0081 277 MET A CB 2297 C CG . MET A 278 ? 0.2804 0.2865 0.2861 -0.0068 -0.0077 -0.0079 277 MET A CG 2298 S SD . MET A 278 ? 0.3333 0.3482 0.3466 -0.0054 -0.0072 -0.0063 277 MET A SD 2299 C CE . MET A 278 ? 0.3490 0.3703 0.3648 -0.0094 -0.0101 -0.0054 277 MET A CE 2300 N N . ARG A 279 ? 0.2228 0.2182 0.2192 0.0012 -0.0015 -0.0075 278 ARG A N 2301 C CA . ARG A 279 ? 0.2257 0.2205 0.2218 0.0032 0.0011 -0.0065 278 ARG A CA 2302 C C . ARG A 279 ? 0.2434 0.2341 0.2338 0.0049 0.0025 -0.0067 278 ARG A C 2303 O O . ARG A 279 ? 0.2390 0.2307 0.2304 0.0061 0.0049 -0.0059 278 ARG A O 2304 C CB . ARG A 279 ? 0.2275 0.2232 0.2235 0.0042 0.0012 -0.0052 278 ARG A CB 2305 C CG . ARG A 279 ? 0.2267 0.2222 0.2225 0.0052 0.0038 -0.0036 278 ARG A CG 2306 C CD . ARG A 279 ? 0.2178 0.2157 0.2184 0.0040 0.0050 -0.0030 278 ARG A CD 2307 N NE . ARG A 279 ? 0.2201 0.2188 0.2208 0.0039 0.0070 -0.0009 278 ARG A NE 2308 C CZ . ARG A 279 ? 0.2338 0.2342 0.2378 0.0020 0.0078 0.0000 278 ARG A CZ 2309 N NH1 . ARG A 279 ? 0.2346 0.2356 0.2417 0.0008 0.0069 -0.0009 278 ARG A NH1 2310 N NH2 . ARG A 279 ? 0.2313 0.2329 0.2352 0.0010 0.0092 0.0024 278 ARG A NH2 2311 N N . GLN A 280 ? 0.2594 0.2457 0.2433 0.0052 0.0009 -0.0077 279 GLN A N 2312 C CA . GLN A 280 ? 0.2826 0.2632 0.2591 0.0076 0.0023 -0.0081 279 GLN A CA 2313 C C . GLN A 280 ? 0.2907 0.2692 0.2668 0.0077 0.0031 -0.0088 279 GLN A C 2314 O O . GLN A 280 ? 0.2929 0.2699 0.2659 0.0109 0.0057 -0.0082 279 GLN A O 2315 C CB . GLN A 280 ? 0.3153 0.2896 0.2833 0.0072 -0.0002 -0.0094 279 GLN A CB 2316 C CG . GLN A 280 ? 0.3348 0.3100 0.3010 0.0081 -0.0007 -0.0086 279 GLN A CG 2317 C CD . GLN A 280 ? 0.3952 0.3636 0.3518 0.0078 -0.0033 -0.0100 279 GLN A CD 2318 O OE1 . GLN A 280 ? 0.4420 0.4082 0.3969 0.0044 -0.0068 -0.0113 279 GLN A OE1 2319 N NE2 . GLN A 280 ? 0.4064 0.3708 0.3560 0.0110 -0.0018 -0.0096 279 GLN A NE2 2320 N N . ASP A 281 ? 0.2864 0.2651 0.2651 0.0046 0.0010 -0.0099 280 ASP A N 2321 C CA . ASP A 281 ? 0.2965 0.2725 0.2743 0.0045 0.0015 -0.0105 280 ASP A CA 2322 C C . ASP A 281 ? 0.2955 0.2771 0.2795 0.0063 0.0045 -0.0091 280 ASP A C 2323 O O . ASP A 281 ? 0.2910 0.2704 0.2729 0.0081 0.0059 -0.0091 280 ASP A O 2324 C CB . ASP A 281 ? 0.3065 0.2836 0.2876 0.0003 -0.0010 -0.0113 280 ASP A CB 2325 C CG . ASP A 281 ? 0.3367 0.3091 0.3122 -0.0029 -0.0046 -0.0123 280 ASP A CG 2326 O OD1 . ASP A 281 ? 0.3486 0.3138 0.3152 -0.0019 -0.0053 -0.0131 280 ASP A OD1 2327 O OD2 . ASP A 281 ? 0.3300 0.3067 0.3101 -0.0066 -0.0068 -0.0121 280 ASP A OD2 2328 N N . THR A 282 ? 0.2461 0.2343 0.2370 0.0055 0.0050 -0.0079 281 THR A N 2329 C CA . THR A 282 ? 0.2443 0.2378 0.2413 0.0056 0.0066 -0.0068 281 THR A CA 2330 C C . THR A 282 ? 0.2495 0.2475 0.2487 0.0070 0.0089 -0.0046 281 THR A C 2331 O O . THR A 282 ? 0.2441 0.2464 0.2471 0.0072 0.0103 -0.0034 281 THR A O 2332 C CB . THR A 282 ? 0.2303 0.2272 0.2334 0.0027 0.0052 -0.0071 281 THR A CB 2333 O OG1 . THR A 282 ? 0.2304 0.2287 0.2346 0.0021 0.0043 -0.0066 281 THR A OG1 2334 C CG2 . THR A 282 ? 0.2351 0.2300 0.2376 0.0008 0.0032 -0.0085 281 THR A CG2 2335 N N . GLU A 283 ? 0.2604 0.2576 0.2569 0.0079 0.0092 -0.0040 282 GLU A N 2336 C CA . GLU A 283 ? 0.2662 0.2679 0.2649 0.0084 0.0112 -0.0015 282 GLU A CA 2337 C C . GLU A 283 ? 0.2627 0.2681 0.2611 0.0111 0.0140 0.0004 282 GLU A C 2338 O O . GLU A 283 ? 0.2690 0.2806 0.2714 0.0103 0.0155 0.0029 282 GLU A O 2339 C CB . GLU A 283 ? 0.2969 0.2965 0.2919 0.0090 0.0111 -0.0010 282 GLU A CB 2340 C CG . GLU A 283 ? 0.3567 0.3516 0.3439 0.0123 0.0117 -0.0016 282 GLU A CG 2341 C CD . GLU A 283 ? 0.4358 0.4284 0.4187 0.0130 0.0113 -0.0012 282 GLU A CD 2342 O OE1 . GLU A 283 ? 0.5035 0.4981 0.4896 0.0111 0.0107 -0.0002 282 GLU A OE1 2343 O OE2 . GLU A 283 ? 0.4876 0.4755 0.4631 0.0157 0.0116 -0.0018 282 GLU A OE2 2344 N N . GLY A 284 ? 0.2445 0.2461 0.2376 0.0143 0.0148 -0.0005 283 GLY A N 2345 C CA . GLY A 284 ? 0.2619 0.2671 0.2539 0.0182 0.0178 0.0015 283 GLY A CA 2346 C C . GLY A 284 ? 0.2568 0.2648 0.2520 0.0186 0.0181 0.0016 283 GLY A C 2347 O O . GLY A 284 ? 0.2665 0.2783 0.2609 0.0225 0.0206 0.0036 283 GLY A O 2348 N N . LEU A 285 ? 0.2438 0.2506 0.2426 0.0150 0.0158 0.0000 284 LEU A N 2349 C CA . LEU A 285 ? 0.2491 0.2572 0.2498 0.0155 0.0159 -0.0001 284 LEU A CA 2350 C C . LEU A 285 ? 0.2559 0.2742 0.2629 0.0156 0.0175 0.0028 284 LEU A C 2351 O O . LEU A 285 ? 0.2638 0.2849 0.2702 0.0190 0.0191 0.0041 284 LEU A O 2352 C CB . LEU A 285 ? 0.2403 0.2458 0.2438 0.0115 0.0133 -0.0023 284 LEU A CB 2353 C CG . LEU A 285 ? 0.2517 0.2488 0.2500 0.0106 0.0113 -0.0049 284 LEU A CG 2354 C CD1 . LEU A 285 ? 0.2425 0.2401 0.2452 0.0066 0.0090 -0.0061 284 LEU A CD1 2355 C CD2 . LEU A 285 ? 0.2881 0.2782 0.2788 0.0137 0.0120 -0.0056 284 LEU A CD2 2356 N N . VAL A 286 ? 0.2599 0.2834 0.2723 0.0118 0.0168 0.0041 285 VAL A N 2357 C CA . VAL A 286 ? 0.2831 0.3165 0.3013 0.0104 0.0176 0.0073 285 VAL A CA 2358 C C . VAL A 286 ? 0.3277 0.3671 0.3457 0.0122 0.0200 0.0105 285 VAL A C 2359 O O . VAL A 286 ? 0.3295 0.3666 0.3461 0.0109 0.0198 0.0106 285 VAL A O 2360 C CB . VAL A 286 ? 0.2993 0.3334 0.3220 0.0047 0.0152 0.0068 285 VAL A CB 2361 C CG1 . VAL A 286 ? 0.3281 0.3716 0.3559 0.0017 0.0154 0.0103 285 VAL A CG1 2362 C CG2 . VAL A 286 ? 0.2964 0.3267 0.3197 0.0038 0.0135 0.0043 285 VAL A CG2 2363 N N . GLU A 287 ? 0.3574 0.4051 0.3769 0.0156 0.0223 0.0136 286 GLU A N 2364 C CA . GLU A 287 ? 0.3889 0.4440 0.4085 0.0180 0.0251 0.0173 286 GLU A CA 2365 C C . GLU A 287 ? 0.3834 0.4456 0.4089 0.0116 0.0240 0.0200 286 GLU A C 2366 O O . GLU A 287 ? 0.3424 0.4112 0.3737 0.0074 0.0226 0.0216 286 GLU A O 2367 C CB . GLU A 287 ? 0.4198 0.4833 0.4395 0.0239 0.0280 0.0204 286 GLU A CB 2368 C CG . GLU A 287 ? 0.4925 0.5578 0.5071 0.0303 0.0317 0.0226 286 GLU A CG 2369 C CD . GLU A 287 ? 0.5214 0.5968 0.5405 0.0275 0.0329 0.0268 286 GLU A CD 2370 O OE1 . GLU A 287 ? 0.4986 0.5849 0.5257 0.0224 0.0320 0.0300 286 GLU A OE1 2371 O OE2 . GLU A 287 ? 0.5834 0.6551 0.5973 0.0300 0.0346 0.0270 286 GLU A OE2 2372 N N . ALA A 288 ? 0.3857 0.4459 0.4090 0.0109 0.0247 0.0208 287 ALA A N 2373 C CA . ALA A 288 ? 0.4070 0.4700 0.4335 0.0047 0.0235 0.0229 287 ALA A CA 2374 C C . ALA A 288 ? 0.4013 0.4776 0.4346 0.0008 0.0237 0.0277 287 ALA A C 2375 O O . ALA A 288 ? 0.4274 0.5035 0.4634 -0.0060 0.0211 0.0281 287 ALA A O 2376 C CB . ALA A 288 ? 0.4211 0.4816 0.4434 0.0062 0.0252 0.0239 287 ALA A CB 2377 N N . THR A 289 ? 0.4053 0.4930 0.4408 0.0051 0.0266 0.0314 288 THR A N 2378 C CA . THR A 289 ? 0.4197 0.5227 0.4623 0.0012 0.0269 0.0369 288 THR A CA 2379 C C . THR A 289 ? 0.4049 0.5169 0.4522 0.0025 0.0265 0.0382 288 THR A C 2380 O O . THR A 289 ? 0.4009 0.5250 0.4545 -0.0026 0.0254 0.0423 288 THR A O 2381 C CB . THR A 289 ? 0.4537 0.5674 0.4968 0.0048 0.0309 0.0421 288 THR A CB 2382 O OG1 . THR A 289 ? 0.4671 0.5814 0.5062 0.0146 0.0343 0.0417 288 THR A OG1 2383 C CG2 . THR A 289 ? 0.4567 0.5627 0.4955 0.0028 0.0311 0.0415 288 THR A CG2 2384 N N . MET A 290 ? 0.3663 0.4726 0.4099 0.0090 0.0274 0.0350 289 MET A N 2385 C CA . MET A 290 ? 0.3555 0.4702 0.4024 0.0121 0.0278 0.0365 289 MET A CA 2386 C C . MET A 290 ? 0.3064 0.4210 0.3575 0.0051 0.0238 0.0353 289 MET A C 2387 O O . MET A 290 ? 0.2715 0.3733 0.3195 0.0028 0.0213 0.0305 289 MET A O 2388 C CB . MET A 290 ? 0.3680 0.4734 0.4080 0.0205 0.0296 0.0331 289 MET A CB 2389 C CG . MET A 290 ? 0.4131 0.5262 0.4547 0.0257 0.0308 0.0350 289 MET A CG 2390 S SD . MET A 290 ? 0.4607 0.5578 0.4920 0.0338 0.0320 0.0301 289 MET A SD 2391 C CE . MET A 290 ? 0.4591 0.5672 0.4926 0.0401 0.0337 0.0336 289 MET A CE 2392 N N . PRO A 291 ? 0.2736 0.4031 0.3315 0.0020 0.0230 0.0399 290 PRO A N 2393 C CA . PRO A 291 ? 0.2584 0.3880 0.3193 -0.0044 0.0190 0.0389 290 PRO A CA 2394 C C . PRO A 291 ? 0.2434 0.3682 0.3024 0.0004 0.0188 0.0358 290 PRO A C 2395 O O . PRO A 291 ? 0.2344 0.3589 0.2905 0.0087 0.0218 0.0357 290 PRO A O 2396 C CB . PRO A 291 ? 0.2646 0.4134 0.3331 -0.0085 0.0186 0.0455 290 PRO A CB 2397 C CG . PRO A 291 ? 0.2690 0.4295 0.3388 0.0000 0.0233 0.0496 290 PRO A CG 2398 C CD . PRO A 291 ? 0.2830 0.4307 0.3456 0.0054 0.0260 0.0463 290 PRO A CD 2399 N N . PRO A 292 ? 0.2255 0.3463 0.2852 -0.0044 0.0153 0.0336 291 PRO A N 2400 C CA . PRO A 292 ? 0.2175 0.3339 0.2753 0.0000 0.0152 0.0310 291 PRO A CA 2401 C C . PRO A 292 ? 0.2146 0.3450 0.2759 0.0050 0.0168 0.0351 291 PRO A C 2402 O O . PRO A 292 ? 0.2019 0.3284 0.2602 0.0111 0.0180 0.0334 291 PRO A O 2403 C CB . PRO A 292 ? 0.2244 0.3344 0.2822 -0.0070 0.0111 0.0282 291 PRO A CB 2404 C CG . PRO A 292 ? 0.2245 0.3411 0.2857 -0.0151 0.0089 0.0314 291 PRO A CG 2405 C CD . PRO A 292 ? 0.2246 0.3422 0.2853 -0.0139 0.0114 0.0330 291 PRO A CD 2406 N N . GLY A 293 ? 0.2082 0.3554 0.2759 0.0024 0.0167 0.0407 292 GLY A N 2407 C CA . GLY A 293 ? 0.2037 0.3666 0.2755 0.0076 0.0183 0.0453 292 GLY A CA 2408 C C . GLY A 293 ? 0.1969 0.3627 0.2708 0.0051 0.0151 0.0450 292 GLY A C 2409 O O . GLY A 293 ? 0.2207 0.3953 0.2960 0.0112 0.0165 0.0475 292 GLY A O 2410 N N . VAL A 294 ? 0.1793 0.3389 0.2535 -0.0038 0.0108 0.0426 293 VAL A N 2411 C CA . VAL A 294 ? 0.1724 0.3353 0.2484 -0.0077 0.0073 0.0427 293 VAL A CA 2412 C C . VAL A 294 ? 0.1687 0.3344 0.2472 -0.0191 0.0028 0.0440 293 VAL A C 2413 O O . VAL A 294 ? 0.1596 0.3206 0.2371 -0.0238 0.0025 0.0437 293 VAL A O 2414 C CB . VAL A 294 ? 0.1698 0.3157 0.2397 -0.0058 0.0064 0.0366 293 VAL A CB 2415 C CG1 . VAL A 294 ? 0.1737 0.3144 0.2396 0.0043 0.0104 0.0352 293 VAL A CG1 2416 C CG2 . VAL A 294 ? 0.1690 0.2992 0.2346 -0.0112 0.0047 0.0320 293 VAL A CG2 2417 N N . GLN A 295 ? 0.1691 0.3421 0.2501 -0.0235 -0.0006 0.0457 294 GLN A N 2418 C CA . GLN A 295 ? 0.1868 0.3594 0.2680 -0.0350 -0.0056 0.0463 294 GLN A CA 2419 C C . GLN A 295 ? 0.1891 0.3401 0.2626 -0.0383 -0.0069 0.0402 294 GLN A C 2420 O O . GLN A 295 ? 0.1803 0.3193 0.2493 -0.0342 -0.0065 0.0355 294 GLN A O 2421 C CB . GLN A 295 ? 0.2073 0.3876 0.2902 -0.0387 -0.0095 0.0479 294 GLN A CB 2422 C CG . GLN A 295 ? 0.2379 0.4165 0.3194 -0.0510 -0.0150 0.0486 294 GLN A CG 2423 C CD . GLN A 295 ? 0.2751 0.4603 0.3573 -0.0547 -0.0193 0.0498 294 GLN A CD 2424 O OE1 . GLN A 295 ? 0.3094 0.4805 0.3850 -0.0575 -0.0222 0.0454 294 GLN A OE1 2425 N NE2 . GLN A 295 ? 0.2971 0.5041 0.3872 -0.0545 -0.0197 0.0561 294 GLN A NE2 2426 N N . LEU A 296 ? 0.1925 0.3389 0.2644 -0.0450 -0.0082 0.0405 295 LEU A N 2427 C CA . LEU A 296 ? 0.1976 0.3239 0.2620 -0.0466 -0.0086 0.0352 295 LEU A CA 2428 C C . LEU A 296 ? 0.2071 0.3262 0.2670 -0.0572 -0.0135 0.0349 295 LEU A C 2429 O O . LEU A 296 ? 0.2172 0.3454 0.2798 -0.0644 -0.0154 0.0395 295 LEU A O 2430 C CB . LEU A 296 ? 0.2090 0.3327 0.2732 -0.0431 -0.0049 0.0352 295 LEU A CB 2431 C CG . LEU A 296 ? 0.2244 0.3297 0.2815 -0.0446 -0.0052 0.0307 295 LEU A CG 2432 C CD1 . LEU A 296 ? 0.2281 0.3209 0.2810 -0.0387 -0.0042 0.0252 295 LEU A CD1 2433 C CD2 . LEU A 296 ? 0.2460 0.3526 0.3040 -0.0423 -0.0020 0.0322 295 LEU A CD2 2434 N N . HIS A 297 ? 0.2068 0.3094 0.2592 -0.0581 -0.0153 0.0299 296 HIS A N 2435 C CA . HIS A 297 ? 0.2200 0.3108 0.2650 -0.0667 -0.0196 0.0286 296 HIS A CA 2436 C C . HIS A 297 ? 0.2374 0.3105 0.2755 -0.0643 -0.0179 0.0242 296 HIS A C 2437 O O . HIS A 297 ? 0.2198 0.2834 0.2547 -0.0584 -0.0164 0.0199 296 HIS A O 2438 C CB . HIS A 297 ? 0.2369 0.3228 0.2776 -0.0688 -0.0230 0.0264 296 HIS A CB 2439 C CG . HIS A 297 ? 0.2451 0.3487 0.2925 -0.0703 -0.0248 0.0305 296 HIS A CG 2440 N ND1 . HIS A 297 ? 0.2635 0.3735 0.3108 -0.0800 -0.0296 0.0340 296 HIS A ND1 2441 C CD2 . HIS A 297 ? 0.2428 0.3591 0.2969 -0.0634 -0.0225 0.0320 296 HIS A CD2 2442 C CE1 . HIS A 297 ? 0.2603 0.3877 0.3147 -0.0788 -0.0303 0.0376 296 HIS A CE1 2443 N NE2 . HIS A 297 ? 0.2481 0.3790 0.3064 -0.0684 -0.0258 0.0363 296 HIS A NE2 2444 N N . CYS A 298 ? 0.2387 0.3084 0.2747 -0.0689 -0.0182 0.0259 297 CYS A N 2445 C CA A CYS A 298 ? 0.2553 0.3097 0.2850 -0.0664 -0.0165 0.0226 297 CYS A CA 2446 C CA B CYS A 298 ? 0.2646 0.3192 0.2945 -0.0663 -0.0164 0.0226 297 CYS A CA 2447 C C . CYS A 298 ? 0.2668 0.3041 0.2857 -0.0725 -0.0200 0.0203 297 CYS A C 2448 O O . CYS A 298 ? 0.2597 0.2952 0.2753 -0.0808 -0.0228 0.0230 297 CYS A O 2449 C CB A CYS A 298 ? 0.2738 0.3343 0.3071 -0.0669 -0.0142 0.0259 297 CYS A CB 2450 C CB B CYS A 298 ? 0.2943 0.3559 0.3283 -0.0663 -0.0139 0.0259 297 CYS A CB 2451 S SG A CYS A 298 ? 0.2966 0.3699 0.3385 -0.0568 -0.0089 0.0267 297 CYS A SG 2452 S SG B CYS A 298 ? 0.3719 0.4168 0.3985 -0.0641 -0.0122 0.0230 297 CYS A SG 2453 N N . LEU A 299 ? 0.2485 0.2727 0.2610 -0.0683 -0.0200 0.0156 298 LEU A N 2454 C CA . LEU A 299 ? 0.2620 0.2682 0.2624 -0.0723 -0.0229 0.0130 298 LEU A CA 2455 C C . LEU A 299 ? 0.2641 0.2568 0.2586 -0.0678 -0.0206 0.0103 298 LEU A C 2456 O O . LEU A 299 ? 0.2473 0.2398 0.2443 -0.0598 -0.0174 0.0079 298 LEU A O 2457 C CB . LEU A 299 ? 0.2698 0.2711 0.2662 -0.0704 -0.0245 0.0099 298 LEU A CB 2458 C CG . LEU A 299 ? 0.2930 0.3011 0.2899 -0.0775 -0.0287 0.0122 298 LEU A CG 2459 C CD1 . LEU A 299 ? 0.2944 0.3246 0.3043 -0.0772 -0.0277 0.0163 298 LEU A CD1 2460 C CD2 . LEU A 299 ? 0.2988 0.2992 0.2897 -0.0751 -0.0301 0.0086 298 LEU A CD2 2461 N N . TYR A 300 ? 0.2733 0.2546 0.2595 -0.0731 -0.0223 0.0111 299 TYR A N 2462 C CA . TYR A 300 ? 0.2825 0.2520 0.2631 -0.0689 -0.0201 0.0093 299 TYR A CA 2463 C C . TYR A 300 ? 0.2985 0.2472 0.2640 -0.0727 -0.0230 0.0077 299 TYR A C 2464 O O . TYR A 300 ? 0.3093 0.2539 0.2693 -0.0817 -0.0267 0.0097 299 TYR A O 2465 C CB . TYR A 300 ? 0.2859 0.2642 0.2729 -0.0696 -0.0180 0.0127 299 TYR A CB 2466 C CG . TYR A 300 ? 0.3100 0.2916 0.2964 -0.0795 -0.0207 0.0172 299 TYR A CG 2467 C CD1 . TYR A 300 ? 0.3212 0.3204 0.3167 -0.0841 -0.0218 0.0210 299 TYR A CD1 2468 C CD2 . TYR A 300 ? 0.3344 0.3018 0.3107 -0.0845 -0.0222 0.0179 299 TYR A CD2 2469 C CE1 . TYR A 300 ? 0.3295 0.3332 0.3249 -0.0940 -0.0245 0.0257 299 TYR A CE1 2470 C CE2 . TYR A 300 ? 0.3494 0.3194 0.3247 -0.0946 -0.0250 0.0223 299 TYR A CE2 2471 C CZ . TYR A 300 ? 0.3569 0.3458 0.3422 -0.0996 -0.0262 0.0263 299 TYR A CZ 2472 O OH . TYR A 300 ? 0.3785 0.3717 0.3634 -0.1104 -0.0290 0.0313 299 TYR A OH 2473 N N . GLY A 301 ? 0.2912 0.2268 0.2493 -0.0659 -0.0212 0.0043 300 GLY A N 2474 C CA . GLY A 301 ? 0.3207 0.2349 0.2630 -0.0676 -0.0232 0.0026 300 GLY A CA 2475 C C . GLY A 301 ? 0.3411 0.2469 0.2778 -0.0703 -0.0230 0.0045 300 GLY A C 2476 O O . GLY A 301 ? 0.3386 0.2526 0.2829 -0.0667 -0.0200 0.0058 300 GLY A O 2477 N N . THR A 302 ? 0.3554 0.2435 0.2777 -0.0764 -0.0263 0.0046 301 THR A N 2478 C CA . THR A 302 ? 0.3825 0.2582 0.2962 -0.0790 -0.0264 0.0062 301 THR A CA 2479 C C . THR A 302 ? 0.3949 0.2446 0.2890 -0.0774 -0.0279 0.0034 301 THR A C 2480 O O . THR A 302 ? 0.3847 0.2267 0.2720 -0.0756 -0.0292 0.0005 301 THR A O 2481 C CB . THR A 302 ? 0.4020 0.2821 0.3169 -0.0912 -0.0295 0.0108 301 THR A CB 2482 O OG1 . THR A 302 ? 0.4135 0.2860 0.3201 -0.0998 -0.0343 0.0108 301 THR A OG1 2483 C CG2 . THR A 302 ? 0.4017 0.3075 0.3350 -0.0920 -0.0276 0.0140 301 THR A CG2 2484 N N . GLY A 303 ? 0.4179 0.2536 0.3021 -0.0774 -0.0275 0.0042 302 GLY A N 2485 C CA . GLY A 303 ? 0.4318 0.2402 0.2949 -0.0764 -0.0290 0.0021 302 GLY A CA 2486 C C . GLY A 303 ? 0.4436 0.2446 0.3018 -0.0632 -0.0256 -0.0014 302 GLY A C 2487 O O . GLY A 303 ? 0.4730 0.2522 0.3135 -0.0603 -0.0264 -0.0035 302 GLY A O 2488 N N . VAL A 304 ? 0.4032 0.2220 0.2763 -0.0551 -0.0217 -0.0018 303 VAL A N 2489 C CA . VAL A 304 ? 0.4066 0.2220 0.2773 -0.0428 -0.0183 -0.0045 303 VAL A CA 2490 C C . VAL A 304 ? 0.3989 0.2197 0.2750 -0.0374 -0.0152 -0.0030 303 VAL A C 2491 O O . VAL A 304 ? 0.3786 0.2172 0.2694 -0.0393 -0.0142 -0.0011 303 VAL A O 2492 C CB . VAL A 304 ? 0.3979 0.2301 0.2813 -0.0381 -0.0168 -0.0062 303 VAL A CB 2493 C CG1 . VAL A 304 ? 0.3932 0.2230 0.2741 -0.0260 -0.0134 -0.0084 303 VAL A CG1 2494 C CG2 . VAL A 304 ? 0.4110 0.2407 0.2908 -0.0440 -0.0200 -0.0073 303 VAL A CG2 2495 N N . PRO A 305 ? 0.4091 0.2141 0.2725 -0.0305 -0.0138 -0.0036 304 PRO A N 2496 C CA . PRO A 305 ? 0.3986 0.2097 0.2675 -0.0253 -0.0111 -0.0021 304 PRO A CA 2497 C C . PRO A 305 ? 0.3626 0.1966 0.2496 -0.0196 -0.0084 -0.0025 304 PRO A C 2498 O O . PRO A 305 ? 0.3535 0.1919 0.2430 -0.0135 -0.0071 -0.0046 304 PRO A O 2499 C CB . PRO A 305 ? 0.4290 0.2204 0.2812 -0.0167 -0.0098 -0.0032 304 PRO A CB 2500 C CG . PRO A 305 ? 0.4610 0.2308 0.2955 -0.0213 -0.0128 -0.0046 304 PRO A CG 2501 C CD . PRO A 305 ? 0.4433 0.2254 0.2873 -0.0258 -0.0143 -0.0058 304 PRO A CD 2502 N N . THR A 306 ? 0.3319 0.1796 0.2305 -0.0223 -0.0076 -0.0004 305 THR A N 2503 C CA . THR A 306 ? 0.3065 0.1748 0.2214 -0.0187 -0.0056 -0.0006 305 THR A CA 2504 C C . THR A 306 ? 0.3066 0.1793 0.2247 -0.0141 -0.0036 0.0006 305 THR A C 2505 O O . THR A 306 ? 0.2966 0.1659 0.2123 -0.0182 -0.0040 0.0028 305 THR A O 2506 C CB . THR A 306 ? 0.2933 0.1755 0.2195 -0.0267 -0.0068 0.0006 305 THR A CB 2507 O OG1 . THR A 306 ? 0.2985 0.1757 0.2204 -0.0319 -0.0092 -0.0002 305 THR A OG1 2508 C CG2 . THR A 306 ? 0.2783 0.1794 0.2193 -0.0229 -0.0048 0.0001 305 THR A CG2 2509 N N . PRO A 307 ? 0.3081 0.1889 0.2317 -0.0058 -0.0016 -0.0004 306 PRO A N 2510 C CA . PRO A 307 ? 0.3119 0.1968 0.2379 -0.0014 -0.0001 0.0008 306 PRO A CA 2511 C C . PRO A 307 ? 0.3111 0.2063 0.2458 -0.0068 -0.0001 0.0028 306 PRO A C 2512 O O . PRO A 307 ? 0.2938 0.2018 0.2390 -0.0100 -0.0001 0.0025 306 PRO A O 2513 C CB . PRO A 307 ? 0.3026 0.1988 0.2360 0.0059 0.0014 -0.0004 306 PRO A CB 2514 C CG . PRO A 307 ? 0.3184 0.2088 0.2469 0.0080 0.0012 -0.0022 306 PRO A CG 2515 C CD . PRO A 307 ? 0.3104 0.1974 0.2380 -0.0005 -0.0007 -0.0024 306 PRO A CD 2516 N N . ASP A 308 ? 0.3208 0.2100 0.2504 -0.0074 0.0001 0.0048 307 ASP A N 2517 C CA . ASP A 308 ? 0.3402 0.2373 0.2759 -0.0121 0.0004 0.0071 307 ASP A CA 2518 C C . ASP A 308 ? 0.3302 0.2332 0.2689 -0.0064 0.0019 0.0077 307 ASP A C 2519 O O . ASP A 308 ? 0.3114 0.2259 0.2585 -0.0078 0.0026 0.0087 307 ASP A O 2520 C CB . ASP A 308 ? 0.3711 0.2557 0.2973 -0.0190 -0.0008 0.0094 307 ASP A CB 2521 C CG . ASP A 308 ? 0.4040 0.2946 0.3340 -0.0224 0.0000 0.0125 307 ASP A CG 2522 O OD1 . ASP A 308 ? 0.4039 0.3051 0.3418 -0.0282 -0.0001 0.0139 307 ASP A OD1 2523 O OD2 . ASP A 308 ? 0.4178 0.3021 0.3420 -0.0191 0.0008 0.0136 307 ASP A OD2 2524 N N . SER A 309 ? 0.3211 0.2156 0.2521 0.0000 0.0023 0.0075 308 SER A N 2525 C CA . SER A 309 ? 0.3259 0.2254 0.2587 0.0054 0.0034 0.0083 308 SER A CA 2526 C C . SER A 309 ? 0.3232 0.2162 0.2492 0.0137 0.0038 0.0077 308 SER A C 2527 O O . SER A 309 ? 0.3258 0.2073 0.2432 0.0152 0.0035 0.0069 308 SER A O 2528 C CB . SER A 309 ? 0.3374 0.2324 0.2662 0.0022 0.0036 0.0110 308 SER A CB 2529 O OG . SER A 309 ? 0.3772 0.2552 0.2935 -0.0004 0.0030 0.0122 308 SER A OG 2530 N N . PHE A 310 ? 0.3039 0.2047 0.2334 0.0193 0.0044 0.0082 309 PHE A N 2531 C CA . PHE A 310 ? 0.3070 0.2073 0.2332 0.0281 0.0049 0.0080 309 PHE A CA 2532 C C . PHE A 310 ? 0.3254 0.2239 0.2472 0.0329 0.0052 0.0100 309 PHE A C 2533 O O . PHE A 310 ? 0.3149 0.2206 0.2417 0.0306 0.0050 0.0109 309 PHE A O 2534 C CB . PHE A 310 ? 0.2923 0.2087 0.2300 0.0302 0.0048 0.0066 309 PHE A CB 2535 C CG . PHE A 310 ? 0.2940 0.2134 0.2368 0.0256 0.0045 0.0047 309 PHE A CG 2536 C CD1 . PHE A 310 ? 0.3070 0.2190 0.2442 0.0278 0.0048 0.0036 309 PHE A CD1 2537 C CD2 . PHE A 310 ? 0.2848 0.2129 0.2364 0.0193 0.0041 0.0042 309 PHE A CD2 2538 C CE1 . PHE A 310 ? 0.3069 0.2208 0.2478 0.0235 0.0044 0.0020 309 PHE A CE1 2539 C CE2 . PHE A 310 ? 0.2882 0.2184 0.2436 0.0153 0.0038 0.0027 309 PHE A CE2 2540 C CZ . PHE A 310 ? 0.2976 0.2211 0.2480 0.0172 0.0038 0.0016 309 PHE A CZ 2541 N N . TYR A 311 ? 0.3416 0.2302 0.2533 0.0399 0.0058 0.0108 310 TYR A N 2542 C CA . TYR A 311 ? 0.3795 0.2662 0.2862 0.0459 0.0062 0.0129 310 TYR A CA 2543 C C . TYR A 311 ? 0.3713 0.2673 0.2806 0.0550 0.0066 0.0132 310 TYR A C 2544 O O . TYR A 311 ? 0.3641 0.2544 0.2677 0.0602 0.0075 0.0128 310 TYR A O 2545 C CB . TYR A 311 ? 0.4348 0.3005 0.3253 0.0471 0.0067 0.0144 310 TYR A CB 2546 C CG . TYR A 311 ? 0.5127 0.3775 0.3983 0.0540 0.0071 0.0167 310 TYR A CG 2547 C CD1 . TYR A 311 ? 0.5423 0.4125 0.4317 0.0509 0.0067 0.0181 310 TYR A CD1 2548 C CD2 . TYR A 311 ? 0.5669 0.4270 0.4446 0.0644 0.0080 0.0177 310 TYR A CD2 2549 C CE1 . TYR A 311 ? 0.5955 0.4659 0.4807 0.0571 0.0069 0.0203 310 TYR A CE1 2550 C CE2 . TYR A 311 ? 0.6194 0.4802 0.4931 0.0710 0.0083 0.0202 310 TYR A CE2 2551 C CZ . TYR A 311 ? 0.6384 0.5043 0.5160 0.0671 0.0076 0.0214 310 TYR A CZ 2552 O OH . TYR A 311 ? 0.7397 0.6067 0.6133 0.0738 0.0076 0.0239 310 TYR A OH 2553 N N . TYR A 312 ? 0.3636 0.2742 0.2811 0.0569 0.0060 0.0141 311 TYR A N 2554 C CA . TYR A 312 ? 0.3689 0.2920 0.2909 0.0647 0.0060 0.0151 311 TYR A CA 2555 C C . TYR A 312 ? 0.4110 0.3315 0.3259 0.0722 0.0062 0.0178 311 TYR A C 2556 O O . TYR A 312 ? 0.4193 0.3418 0.3350 0.0703 0.0053 0.0188 311 TYR A O 2557 C CB . TYR A 312 ? 0.3421 0.2845 0.2784 0.0609 0.0045 0.0143 311 TYR A CB 2558 C CG . TYR A 312 ? 0.3149 0.2630 0.2589 0.0561 0.0044 0.0121 311 TYR A CG 2559 C CD1 . TYR A 312 ? 0.3051 0.2500 0.2518 0.0478 0.0042 0.0103 311 TYR A CD1 2560 C CD2 . TYR A 312 ? 0.3139 0.2724 0.2635 0.0597 0.0046 0.0121 311 TYR A CD2 2561 C CE1 . TYR A 312 ? 0.2849 0.2354 0.2386 0.0437 0.0040 0.0084 311 TYR A CE1 2562 C CE2 . TYR A 312 ? 0.2923 0.2562 0.2489 0.0552 0.0045 0.0101 311 TYR A CE2 2563 C CZ . TYR A 312 ? 0.2782 0.2376 0.2367 0.0473 0.0042 0.0082 311 TYR A CZ 2564 O OH . TYR A 312 ? 0.2600 0.2239 0.2245 0.0434 0.0042 0.0064 311 TYR A OH 2565 N N . GLU A 313 ? 0.4606 0.3765 0.3681 0.0813 0.0075 0.0191 312 GLU A N 2566 C CA . GLU A 313 ? 0.5313 0.4470 0.4326 0.0901 0.0077 0.0221 312 GLU A CA 2567 C C . GLU A 313 ? 0.5036 0.4421 0.4170 0.0929 0.0064 0.0236 312 GLU A C 2568 O O . GLU A 313 ? 0.5474 0.4906 0.4600 0.0965 0.0055 0.0258 312 GLU A O 2569 C CB . GLU A 313 ? 0.6267 0.5287 0.5145 0.0997 0.0099 0.0232 312 GLU A CB 2570 C CG . GLU A 313 ? 0.7415 0.6185 0.6150 0.0960 0.0106 0.0220 312 GLU A CG 2571 C CD . GLU A 313 ? 0.8880 0.7482 0.7465 0.1042 0.0126 0.0222 312 GLU A CD 2572 O OE1 . GLU A 313 ? 0.9282 0.7950 0.7853 0.1151 0.0140 0.0240 312 GLU A OE1 2573 O OE2 . GLU A 313 ? 0.9974 0.8374 0.8447 0.0997 0.0128 0.0207 312 GLU A OE2 2574 N N . SER A 314 ? 0.4536 0.4060 0.3779 0.0908 0.0060 0.0224 313 SER A N 2575 C CA . SER A 314 ? 0.4348 0.4094 0.3717 0.0906 0.0041 0.0236 313 SER A CA 2576 C C . SER A 314 ? 0.3974 0.3801 0.3453 0.0811 0.0029 0.0209 313 SER A C 2577 O O . SER A 314 ? 0.3911 0.3727 0.3407 0.0800 0.0040 0.0194 313 SER A O 2578 C CB . SER A 314 ? 0.4633 0.4484 0.4013 0.1002 0.0052 0.0263 313 SER A CB 2579 O OG . SER A 314 ? 0.4732 0.4807 0.4243 0.0985 0.0031 0.0275 313 SER A OG 2580 N N . PHE A 315 ? 0.3776 0.3677 0.3320 0.0747 0.0006 0.0202 314 PHE A N 2581 C CA . PHE A 315 ? 0.3507 0.3451 0.3132 0.0657 -0.0003 0.0175 314 PHE A CA 2582 C C . PHE A 315 ? 0.3403 0.3532 0.3131 0.0636 -0.0029 0.0182 314 PHE A C 2583 O O . PHE A 315 ? 0.3283 0.3474 0.3011 0.0655 -0.0047 0.0201 314 PHE A O 2584 C CB . PHE A 315 ? 0.3327 0.3173 0.2918 0.0598 -0.0006 0.0162 314 PHE A CB 2585 C CG . PHE A 315 ? 0.3119 0.2997 0.2779 0.0513 -0.0014 0.0136 314 PHE A CG 2586 C CD1 . PHE A 315 ? 0.3056 0.2868 0.2719 0.0475 0.0000 0.0117 314 PHE A CD1 2587 C CD2 . PHE A 315 ? 0.3041 0.3000 0.2748 0.0474 -0.0035 0.0132 314 PHE A CD2 2588 C CE1 . PHE A 315 ? 0.2909 0.2750 0.2630 0.0407 -0.0005 0.0096 314 PHE A CE1 2589 C CE2 . PHE A 315 ? 0.2875 0.2847 0.2629 0.0406 -0.0039 0.0110 314 PHE A CE2 2590 C CZ . PHE A 315 ? 0.2866 0.2782 0.2628 0.0375 -0.0023 0.0093 314 PHE A CZ 2591 N N . PRO A 316 ? 0.3324 0.3535 0.3133 0.0591 -0.0034 0.0169 315 PRO A N 2592 C CA . PRO A 316 ? 0.3343 0.3487 0.3156 0.0562 -0.0016 0.0146 315 PRO A CA 2593 C C . PRO A 316 ? 0.3469 0.3672 0.3303 0.0611 -0.0001 0.0157 315 PRO A C 2594 O O . PRO A 316 ? 0.3639 0.3808 0.3486 0.0585 0.0010 0.0138 315 PRO A O 2595 C CB . PRO A 316 ? 0.3300 0.3508 0.3189 0.0480 -0.0034 0.0126 315 PRO A CB 2596 C CG . PRO A 316 ? 0.3221 0.3583 0.3169 0.0483 -0.0061 0.0146 315 PRO A CG 2597 C CD . PRO A 316 ? 0.3358 0.3716 0.3253 0.0544 -0.0064 0.0171 315 PRO A CD 2598 N N . ASP A 317 ? 0.3566 0.3857 0.3400 0.0685 0.0000 0.0188 316 ASP A N 2599 C CA . ASP A 317 ? 0.4013 0.4400 0.3884 0.0732 0.0013 0.0204 316 ASP A CA 2600 C C . ASP A 317 ? 0.4198 0.4474 0.3973 0.0818 0.0046 0.0210 316 ASP A C 2601 O O . ASP A 317 ? 0.4366 0.4729 0.4158 0.0880 0.0061 0.0231 316 ASP A O 2602 C CB . ASP A 317 ? 0.4253 0.4845 0.4201 0.0759 -0.0004 0.0241 316 ASP A CB 2603 C CG . ASP A 317 ? 0.4594 0.5305 0.4639 0.0667 -0.0038 0.0234 316 ASP A CG 2604 O OD1 . ASP A 317 ? 0.4072 0.4735 0.4141 0.0592 -0.0041 0.0204 316 ASP A OD1 2605 O OD2 . ASP A 317 ? 0.5132 0.5982 0.5223 0.0670 -0.0064 0.0262 316 ASP A OD2 2606 N N . ARG A 318 ? 0.4281 0.4365 0.3948 0.0823 0.0057 0.0194 317 ARG A N 2607 C CA . ARG A 318 ? 0.4546 0.4481 0.4098 0.0890 0.0085 0.0192 317 ARG A CA 2608 C C . ARG A 318 ? 0.4314 0.4073 0.3808 0.0825 0.0088 0.0157 317 ARG A C 2609 O O . ARG A 318 ? 0.3964 0.3689 0.3478 0.0748 0.0073 0.0142 317 ARG A O 2610 C CB . ARG A 318 ? 0.5124 0.4980 0.4574 0.0971 0.0092 0.0215 317 ARG A CB 2611 C CG . ARG A 318 ? 0.5952 0.5983 0.5445 0.1059 0.0094 0.0256 317 ARG A CG 2612 C CD . ARG A 318 ? 0.6761 0.6792 0.6205 0.1158 0.0126 0.0272 317 ARG A CD 2613 N NE . ARG A 318 ? 0.7906 0.8031 0.7327 0.1274 0.0137 0.0317 317 ARG A NE 2614 C CZ . ARG A 318 ? 0.8478 0.8848 0.8017 0.1295 0.0126 0.0352 317 ARG A CZ 2615 N NH1 . ARG A 318 ? 0.8725 0.9258 0.8404 0.1205 0.0103 0.0347 317 ARG A NH1 2616 N NH2 . ARG A 318 ? 0.8886 0.9340 0.8397 0.1406 0.0137 0.0396 317 ARG A NH2 2617 N N . ASP A 319 ? 0.4084 0.3737 0.3505 0.0855 0.0108 0.0147 318 ASP A N 2618 C CA . ASP A 319 ? 0.4090 0.3584 0.3454 0.0789 0.0107 0.0117 318 ASP A CA 2619 C C . ASP A 319 ? 0.3941 0.3265 0.3202 0.0769 0.0102 0.0115 318 ASP A C 2620 O O . ASP A 319 ? 0.3951 0.3202 0.3120 0.0838 0.0110 0.0134 318 ASP A O 2621 C CB . ASP A 319 ? 0.4292 0.3690 0.3576 0.0832 0.0127 0.0107 318 ASP A CB 2622 C CG . ASP A 319 ? 0.4619 0.4168 0.4006 0.0829 0.0132 0.0105 318 ASP A CG 2623 O OD1 . ASP A 319 ? 0.4393 0.4081 0.3908 0.0760 0.0117 0.0100 318 ASP A OD1 2624 O OD2 . ASP A 319 ? 0.5087 0.4604 0.4415 0.0897 0.0154 0.0109 318 ASP A OD2 2625 N N . PRO A 320 ? 0.3595 0.2859 0.2868 0.0675 0.0090 0.0095 319 PRO A N 2626 C CA . PRO A 320 ? 0.3638 0.2747 0.2817 0.0646 0.0085 0.0098 319 PRO A CA 2627 C C . PRO A 320 ? 0.3955 0.2849 0.2987 0.0647 0.0092 0.0089 319 PRO A C 2628 O O . PRO A 320 ? 0.3700 0.2559 0.2709 0.0655 0.0098 0.0074 319 PRO A O 2629 C CB . PRO A 320 ? 0.3436 0.2604 0.2708 0.0543 0.0071 0.0084 319 PRO A CB 2630 C CG . PRO A 320 ? 0.3339 0.2582 0.2687 0.0514 0.0070 0.0065 319 PRO A CG 2631 C CD . PRO A 320 ? 0.3371 0.2716 0.2748 0.0593 0.0080 0.0075 319 PRO A CD 2632 N N . LYS A 321 ? 0.4120 0.2863 0.3046 0.0634 0.0089 0.0098 320 LYS A N 2633 C CA . LYS A 321 ? 0.4530 0.3061 0.3323 0.0593 0.0086 0.0088 320 LYS A CA 2634 C C . LYS A 321 ? 0.4049 0.2618 0.2922 0.0476 0.0070 0.0074 320 LYS A C 2635 O O . LYS A 321 ? 0.3763 0.2457 0.2745 0.0432 0.0064 0.0079 320 LYS A O 2636 C CB . LYS A 321 ? 0.5183 0.3547 0.3841 0.0606 0.0086 0.0107 320 LYS A CB 2637 C CG . LYS A 321 ? 0.6196 0.4546 0.4788 0.0723 0.0101 0.0128 320 LYS A CG 2638 C CD . LYS A 321 ? 0.6984 0.5312 0.5519 0.0819 0.0118 0.0123 320 LYS A CD 2639 C CE . LYS A 321 ? 0.7819 0.6193 0.6324 0.0940 0.0133 0.0151 320 LYS A CE 2640 N NZ . LYS A 321 ? 0.8349 0.6702 0.6789 0.1043 0.0154 0.0152 320 LYS A NZ 2641 N N . ILE A 322 ? 0.3954 0.2405 0.2761 0.0429 0.0063 0.0059 321 ILE A N 2642 C CA . ILE A 322 ? 0.3741 0.2242 0.2627 0.0325 0.0049 0.0049 321 ILE A CA 2643 C C . ILE A 322 ? 0.3864 0.2199 0.2646 0.0246 0.0034 0.0056 321 ILE A C 2644 O O . ILE A 322 ? 0.3940 0.2074 0.2561 0.0260 0.0031 0.0055 321 ILE A O 2645 C CB . ILE A 322 ? 0.3668 0.2212 0.2592 0.0321 0.0047 0.0026 321 ILE A CB 2646 C CG1 . ILE A 322 ? 0.3637 0.2351 0.2665 0.0392 0.0061 0.0024 321 ILE A CG1 2647 C CG2 . ILE A 322 ? 0.3593 0.2201 0.2602 0.0218 0.0032 0.0019 321 ILE A CG2 2648 C CD1 . ILE A 322 ? 0.3890 0.2651 0.2954 0.0398 0.0064 0.0006 321 ILE A CD1 2649 N N . CYS A 323 ? 0.3722 0.2139 0.2589 0.0164 0.0026 0.0066 322 CYS A N 2650 C CA A CYS A 323 ? 0.3789 0.2096 0.2592 0.0070 0.0010 0.0078 322 CYS A CA 2651 C CA B CYS A 323 ? 0.3920 0.2227 0.2723 0.0069 0.0010 0.0078 322 CYS A CA 2652 C C . CYS A 323 ? 0.3644 0.2025 0.2524 -0.0005 -0.0003 0.0065 322 CYS A C 2653 O O . CYS A 323 ? 0.3390 0.1951 0.2413 -0.0010 0.0001 0.0059 322 CYS A O 2654 C CB A CYS A 323 ? 0.3844 0.2210 0.2693 0.0036 0.0014 0.0104 322 CYS A CB 2655 C CB B CYS A 323 ? 0.4139 0.2500 0.2985 0.0032 0.0013 0.0105 322 CYS A CB 2656 S SG A CYS A 323 ? 0.4185 0.2406 0.2936 -0.0070 -0.0002 0.0130 322 CYS A SG 2657 S SG B CYS A 323 ? 0.5052 0.3230 0.3738 0.0076 0.0019 0.0128 322 CYS A SG 2658 N N . PHE A 324 ? 0.3604 0.1840 0.2381 -0.0064 -0.0022 0.0063 323 PHE A N 2659 C CA . PHE A 324 ? 0.3453 0.1745 0.2286 -0.0129 -0.0038 0.0051 323 PHE A CA 2660 C C . PHE A 324 ? 0.3581 0.1874 0.2424 -0.0245 -0.0059 0.0074 323 PHE A C 2661 O O . PHE A 324 ? 0.3583 0.1735 0.2318 -0.0289 -0.0069 0.0094 323 PHE A O 2662 C CB . PHE A 324 ? 0.3639 0.1769 0.2340 -0.0110 -0.0049 0.0028 323 PHE A CB 2663 C CG . PHE A 324 ? 0.3527 0.1683 0.2231 0.0001 -0.0028 0.0007 323 PHE A CG 2664 C CD1 . PHE A 324 ? 0.3700 0.1753 0.2303 0.0091 -0.0012 0.0010 323 PHE A CD1 2665 C CD2 . PHE A 324 ? 0.3424 0.1718 0.2234 0.0016 -0.0024 -0.0010 323 PHE A CD2 2666 C CE1 . PHE A 324 ? 0.3648 0.1745 0.2259 0.0196 0.0008 -0.0002 323 PHE A CE1 2667 C CE2 . PHE A 324 ? 0.3433 0.1766 0.2252 0.0115 -0.0003 -0.0023 323 PHE A CE2 2668 C CZ . PHE A 324 ? 0.3546 0.1786 0.2267 0.0205 0.0012 -0.0018 323 PHE A CZ 2669 N N . GLY A 325 ? 0.3438 0.1891 0.2410 -0.0295 -0.0064 0.0074 324 GLY A N 2670 C CA . GLY A 325 ? 0.3577 0.2057 0.2571 -0.0407 -0.0086 0.0098 324 GLY A CA 2671 C C . GLY A 325 ? 0.3662 0.2152 0.2663 -0.0451 -0.0108 0.0083 324 GLY A C 2672 O O . GLY A 325 ? 0.3638 0.2059 0.2587 -0.0400 -0.0109 0.0053 324 GLY A O 2673 N N . ASP A 326 ? 0.3622 0.2212 0.2694 -0.0542 -0.0125 0.0106 325 ASP A N 2674 C CA . ASP A 326 ? 0.3722 0.2327 0.2800 -0.0594 -0.0150 0.0096 325 ASP A CA 2675 C C . ASP A 326 ? 0.3424 0.2224 0.2653 -0.0551 -0.0134 0.0082 325 ASP A C 2676 O O . ASP A 326 ? 0.3260 0.2202 0.2600 -0.0507 -0.0107 0.0087 325 ASP A O 2677 C CB . ASP A 326 ? 0.3957 0.2575 0.3029 -0.0718 -0.0181 0.0133 325 ASP A CB 2678 C CG . ASP A 326 ? 0.4293 0.2836 0.3297 -0.0787 -0.0220 0.0124 325 ASP A CG 2679 O OD1 . ASP A 326 ? 0.4311 0.2811 0.3285 -0.0737 -0.0222 0.0088 325 ASP A OD1 2680 O OD2 . ASP A 326 ? 0.4501 0.3038 0.3483 -0.0896 -0.0251 0.0156 325 ASP A OD2 2681 N N . GLY A 327 ? 0.3438 0.2236 0.2660 -0.0565 -0.0152 0.0063 326 GLY A N 2682 C CA . GLY A 327 ? 0.3146 0.2108 0.2494 -0.0527 -0.0139 0.0048 326 GLY A CA 2683 C C . GLY A 327 ? 0.3187 0.2061 0.2466 -0.0503 -0.0151 0.0016 326 GLY A C 2684 O O . GLY A 327 ? 0.3238 0.1952 0.2386 -0.0544 -0.0179 0.0010 326 GLY A O 2685 N N . ASP A 328 ? 0.2986 0.1958 0.2345 -0.0436 -0.0131 -0.0003 327 ASP A N 2686 C CA . ASP A 328 ? 0.3078 0.1995 0.2388 -0.0407 -0.0138 -0.0032 327 ASP A CA 2687 C C . ASP A 328 ? 0.3049 0.1903 0.2314 -0.0306 -0.0112 -0.0056 327 ASP A C 2688 O O . ASP A 328 ? 0.3154 0.1996 0.2400 -0.0267 -0.0109 -0.0077 327 ASP A O 2689 C CB . ASP A 328 ? 0.2991 0.2071 0.2420 -0.0418 -0.0139 -0.0032 327 ASP A CB 2690 C CG . ASP A 328 ? 0.2923 0.2151 0.2477 -0.0353 -0.0106 -0.0036 327 ASP A CG 2691 O OD1 . ASP A 328 ? 0.2997 0.2208 0.2548 -0.0296 -0.0084 -0.0040 327 ASP A OD1 2692 O OD2 . ASP A 328 ? 0.3082 0.2443 0.2733 -0.0360 -0.0104 -0.0033 327 ASP A OD2 2693 N N . GLY A 329 ? 0.3093 0.1908 0.2334 -0.0265 -0.0094 -0.0050 328 GLY A N 2694 C CA . GLY A 329 ? 0.3137 0.1921 0.2349 -0.0167 -0.0069 -0.0064 328 GLY A CA 2695 C C . GLY A 329 ? 0.3052 0.2003 0.2399 -0.0121 -0.0044 -0.0060 328 GLY A C 2696 O O . GLY A 329 ? 0.3199 0.2141 0.2533 -0.0053 -0.0025 -0.0061 328 GLY A O 2697 N N . THR A 330 ? 0.2956 0.2055 0.2426 -0.0157 -0.0045 -0.0053 329 THR A N 2698 C CA . THR A 330 ? 0.2999 0.2246 0.2588 -0.0122 -0.0025 -0.0051 329 THR A CA 2699 C C . THR A 330 ? 0.2776 0.2116 0.2442 -0.0171 -0.0027 -0.0030 329 THR A C 2700 O O . THR A 330 ? 0.2768 0.2146 0.2464 -0.0152 -0.0015 -0.0020 329 THR A O 2701 C CB . THR A 330 ? 0.3100 0.2437 0.2756 -0.0101 -0.0020 -0.0065 329 THR A CB 2702 O OG1 . THR A 330 ? 0.3333 0.2595 0.2918 -0.0047 -0.0013 -0.0081 329 THR A OG1 2703 C CG2 . THR A 330 ? 0.3161 0.2638 0.2929 -0.0075 -0.0004 -0.0062 329 THR A CG2 2704 N N . VAL A 331 ? 0.2707 0.2085 0.2401 -0.0233 -0.0042 -0.0021 330 VAL A N 2705 C CA . VAL A 331 ? 0.2681 0.2158 0.2447 -0.0278 -0.0041 0.0002 330 VAL A CA 2706 C C . VAL A 331 ? 0.2765 0.2162 0.2465 -0.0333 -0.0054 0.0025 330 VAL A C 2707 O O . VAL A 331 ? 0.2839 0.2143 0.2462 -0.0382 -0.0077 0.0027 330 VAL A O 2708 C CB . VAL A 331 ? 0.2684 0.2258 0.2515 -0.0314 -0.0051 0.0007 330 VAL A CB 2709 C CG1 . VAL A 331 ? 0.2784 0.2467 0.2684 -0.0356 -0.0048 0.0038 330 VAL A CG1 2710 C CG2 . VAL A 331 ? 0.2613 0.2257 0.2503 -0.0262 -0.0037 -0.0012 330 VAL A CG2 2711 N N . ASN A 332 ? 0.2714 0.2147 0.2439 -0.0327 -0.0040 0.0043 331 ASN A N 2712 C CA . ASN A 332 ? 0.2866 0.2233 0.2535 -0.0378 -0.0049 0.0069 331 ASN A CA 2713 C C . ASN A 332 ? 0.2883 0.2328 0.2594 -0.0460 -0.0064 0.0097 331 ASN A C 2714 O O . ASN A 332 ? 0.2736 0.2325 0.2546 -0.0458 -0.0057 0.0104 331 ASN A O 2715 C CB . ASN A 332 ? 0.2829 0.2236 0.2525 -0.0345 -0.0027 0.0083 331 ASN A CB 2716 C CG . ASN A 332 ? 0.2733 0.2086 0.2397 -0.0266 -0.0014 0.0059 331 ASN A CG 2717 O OD1 . ASN A 332 ? 0.2609 0.2045 0.2338 -0.0215 -0.0002 0.0043 331 ASN A OD1 2718 N ND2 . ASN A 332 ? 0.2895 0.2109 0.2454 -0.0255 -0.0019 0.0059 331 ASN A ND2 2719 N N . LEU A 333 ? 0.3000 0.2350 0.2632 -0.0530 -0.0087 0.0116 332 LEU A N 2720 C CA . LEU A 333 ? 0.3266 0.2695 0.2934 -0.0618 -0.0107 0.0148 332 LEU A CA 2721 C C . LEU A 333 ? 0.3295 0.2906 0.3079 -0.0622 -0.0086 0.0182 332 LEU A C 2722 O O . LEU A 333 ? 0.3401 0.3148 0.3265 -0.0654 -0.0091 0.0202 332 LEU A O 2723 C CB . LEU A 333 ? 0.3478 0.2769 0.3035 -0.0699 -0.0134 0.0170 332 LEU A CB 2724 C CG . LEU A 333 ? 0.3701 0.3071 0.3287 -0.0805 -0.0161 0.0210 332 LEU A CG 2725 C CD1 . LEU A 333 ? 0.3747 0.3183 0.3373 -0.0820 -0.0181 0.0196 332 LEU A CD1 2726 C CD2 . LEU A 333 ? 0.4036 0.3234 0.3487 -0.0888 -0.0192 0.0227 332 LEU A CD2 2727 N N . LYS A 334 ? 0.3334 0.2955 0.3128 -0.0584 -0.0061 0.0191 333 LYS A N 2728 C CA . LYS A 334 ? 0.3667 0.3454 0.3559 -0.0584 -0.0038 0.0224 333 LYS A CA 2729 C C . LYS A 334 ? 0.3325 0.3251 0.3315 -0.0531 -0.0021 0.0212 333 LYS A C 2730 O O . LYS A 334 ? 0.3207 0.3271 0.3270 -0.0537 -0.0006 0.0242 333 LYS A O 2731 C CB . LYS A 334 ? 0.4078 0.3851 0.3956 -0.0555 -0.0015 0.0237 333 LYS A CB 2732 C CG . LYS A 334 ? 0.4326 0.4028 0.4175 -0.0471 0.0000 0.0200 333 LYS A CG 2733 C CD . LYS A 334 ? 0.5086 0.4782 0.4918 -0.0454 0.0019 0.0220 333 LYS A CD 2734 C CE . LYS A 334 ? 0.5419 0.4966 0.5145 -0.0495 0.0005 0.0234 333 LYS A CE 2735 N NZ . LYS A 334 ? 0.6253 0.5849 0.5987 -0.0531 0.0018 0.0279 333 LYS A NZ 2736 N N A SER A 335 ? 0.3386 0.3277 0.3373 -0.0487 -0.0024 0.0173 334 SER A N 2737 N N B SER A 335 ? 0.3092 0.2974 0.3075 -0.0472 -0.0018 0.0170 334 SER A N 2738 C CA A SER A 335 ? 0.3218 0.3235 0.3289 -0.0458 -0.0016 0.0167 334 SER A CA 2739 C CA B SER A 335 ? 0.2848 0.2826 0.2903 -0.0409 0.0001 0.0154 334 SER A CA 2740 C C A SER A 335 ? 0.3274 0.3405 0.3397 -0.0520 -0.0030 0.0201 334 SER A C 2741 C C B SER A 335 ? 0.2693 0.2734 0.2787 -0.0431 -0.0012 0.0153 334 SER A C 2742 O O A SER A 335 ? 0.3135 0.3404 0.3336 -0.0496 -0.0013 0.0218 334 SER A O 2743 O O B SER A 335 ? 0.2598 0.2742 0.2758 -0.0399 0.0001 0.0152 334 SER A O 2744 C CB A SER A 335 ? 0.3192 0.3149 0.3246 -0.0412 -0.0020 0.0123 334 SER A CB 2745 C CB B SER A 335 ? 0.2786 0.2686 0.2810 -0.0342 0.0009 0.0115 334 SER A CB 2746 O OG A SER A 335 ? 0.3189 0.3102 0.3229 -0.0349 -0.0002 0.0100 334 SER A OG 2747 O OG B SER A 335 ? 0.2591 0.2546 0.2664 -0.0298 0.0017 0.0092 334 SER A OG 2748 N N A ALA A 336 ? 0.3087 0.3160 0.3161 -0.0595 -0.0062 0.0213 335 ALA A N 2749 N N B ALA A 336 ? 0.2715 0.2688 0.2759 -0.0491 -0.0041 0.0155 335 ALA A N 2750 C CA A ALA A 336 ? 0.3510 0.3696 0.3632 -0.0661 -0.0082 0.0248 335 ALA A CA 2751 C CA B ALA A 336 ? 0.2657 0.2691 0.2730 -0.0531 -0.0062 0.0162 335 ALA A CA 2752 C C A ALA A 336 ? 0.3663 0.4008 0.3859 -0.0684 -0.0065 0.0303 335 ALA A C 2753 C C B ALA A 336 ? 0.2600 0.2783 0.2743 -0.0577 -0.0060 0.0212 335 ALA A C 2754 O O A ALA A 336 ? 0.3943 0.4435 0.4209 -0.0709 -0.0070 0.0335 335 ALA A O 2755 O O B ALA A 336 ? 0.2504 0.2804 0.2710 -0.0578 -0.0062 0.0224 335 ALA A O 2756 C CB A ALA A 336 ? 0.3692 0.3765 0.3729 -0.0747 -0.0125 0.0251 335 ALA A CB 2757 C CB B ALA A 336 ? 0.2787 0.2688 0.2769 -0.0586 -0.0097 0.0150 335 ALA A CB 2758 N N A LEU A 337 ? 0.3807 0.4130 0.3987 -0.0674 -0.0044 0.0317 336 LEU A N 2759 N N B LEU A 337 ? 0.2628 0.2813 0.2758 -0.0614 -0.0056 0.0244 336 LEU A N 2760 C CA A LEU A 337 ? 0.4121 0.4596 0.4366 -0.0691 -0.0023 0.0372 336 LEU A CA 2761 C CA B LEU A 337 ? 0.2618 0.2948 0.2807 -0.0673 -0.0058 0.0301 336 LEU A CA 2762 C C A LEU A 337 ? 0.3784 0.4408 0.4115 -0.0612 0.0009 0.0376 336 LEU A C 2763 C C B LEU A 337 ? 0.2505 0.3013 0.2790 -0.0624 -0.0022 0.0330 336 LEU A C 2764 O O A LEU A 337 ? 0.3294 0.4081 0.3693 -0.0621 0.0024 0.0425 336 LEU A O 2765 O O B LEU A 337 ? 0.2491 0.3138 0.2831 -0.0667 -0.0022 0.0382 336 LEU A O 2766 C CB A LEU A 337 ? 0.4477 0.4888 0.4679 -0.0687 -0.0005 0.0384 336 LEU A CB 2767 C CB B LEU A 337 ? 0.2746 0.3001 0.2874 -0.0743 -0.0071 0.0329 336 LEU A CB 2768 C CG A LEU A 337 ? 0.4913 0.5199 0.5030 -0.0776 -0.0034 0.0401 336 LEU A CG 2769 C CG B LEU A 337 ? 0.2862 0.2940 0.2882 -0.0804 -0.0111 0.0309 336 LEU A CG 2770 C CD1 A LEU A 337 ? 0.4979 0.5177 0.5041 -0.0751 -0.0013 0.0403 336 LEU A CD1 2771 C CD1 B LEU A 337 ? 0.2998 0.2997 0.2948 -0.0887 -0.0127 0.0343 336 LEU A CD1 2772 C CD2 A LEU A 337 ? 0.5056 0.5460 0.5211 -0.0876 -0.0054 0.0462 336 LEU A CD2 2773 C CD2 B LEU A 337 ? 0.2887 0.3005 0.2921 -0.0850 -0.0144 0.0308 336 LEU A CD2 2774 N N A GLN A 338 ? 0.3666 0.4231 0.3987 -0.0537 0.0020 0.0327 337 GLN A N 2775 N N B GLN A 338 ? 0.2388 0.2893 0.2688 -0.0535 0.0007 0.0301 337 GLN A N 2776 C CA A GLN A 338 ? 0.3762 0.4436 0.4143 -0.0464 0.0048 0.0326 337 GLN A CA 2777 C CA B GLN A 338 ? 0.2339 0.2987 0.2709 -0.0473 0.0041 0.0320 337 GLN A CA 2778 C C A GLN A 338 ? 0.3568 0.4370 0.4009 -0.0488 0.0035 0.0351 337 GLN A C 2779 C C B GLN A 338 ? 0.2406 0.3199 0.2844 -0.0492 0.0032 0.0348 337 GLN A C 2780 O O A GLN A 338 ? 0.3312 0.4265 0.3815 -0.0462 0.0058 0.0388 337 GLN A O 2781 O O B GLN A 338 ? 0.2348 0.3292 0.2847 -0.0463 0.0057 0.0386 337 GLN A O 2782 C CB A GLN A 338 ? 0.4111 0.4690 0.4464 -0.0391 0.0057 0.0271 337 GLN A CB 2783 C CB B GLN A 338 ? 0.2236 0.2814 0.2589 -0.0390 0.0057 0.0270 337 GLN A CB 2784 C CG A GLN A 338 ? 0.4599 0.5272 0.4996 -0.0317 0.0087 0.0272 337 GLN A CG 2785 C CG B GLN A 338 ? 0.2127 0.2797 0.2524 -0.0316 0.0086 0.0270 337 GLN A CG 2786 C CD A GLN A 338 ? 0.5079 0.5832 0.5491 -0.0292 0.0120 0.0310 337 GLN A CD 2787 C CD B GLN A 338 ? 0.2058 0.2774 0.2458 -0.0268 0.0121 0.0289 337 GLN A CD 2788 O OE1 A GLN A 338 ? 0.5364 0.6052 0.5739 -0.0302 0.0124 0.0309 337 GLN A OE1 2789 O OE1 B GLN A 338 ? 0.2109 0.2811 0.2490 -0.0294 0.0126 0.0309 337 GLN A OE1 2790 N NE2 A GLN A 338 ? 0.5705 0.6605 0.6170 -0.0265 0.0142 0.0348 337 GLN A NE2 2791 N NE2 B GLN A 338 ? 0.1958 0.2718 0.2371 -0.0197 0.0146 0.0283 337 GLN A NE2 2792 N N A CYS A 339 ? 0.3458 0.4208 0.3879 -0.0533 0.0000 0.0333 338 CYS A N 2793 N N B CYS A 339 ? 0.2552 0.3299 0.2972 -0.0536 -0.0001 0.0332 338 CYS A N 2794 C CA A CYS A 339 ? 0.3601 0.4485 0.4081 -0.0559 -0.0014 0.0362 338 CYS A CA 2795 C CA B CYS A 339 ? 0.2680 0.3563 0.3159 -0.0561 -0.0015 0.0362 338 CYS A CA 2796 C C A CYS A 339 ? 0.3534 0.4560 0.4061 -0.0623 -0.0018 0.0427 338 CYS A C 2797 C C B CYS A 339 ? 0.2990 0.4016 0.3517 -0.0622 -0.0018 0.0427 338 CYS A C 2798 O O A CYS A 339 ? 0.3509 0.4701 0.4107 -0.0612 -0.0011 0.0464 338 CYS A O 2799 O O B CYS A 339 ? 0.2984 0.4177 0.3583 -0.0612 -0.0011 0.0464 338 CYS A O 2800 C CB A CYS A 339 ? 0.4082 0.4888 0.4523 -0.0614 -0.0056 0.0340 338 CYS A CB 2801 C CB B CYS A 339 ? 0.2696 0.3510 0.3138 -0.0626 -0.0060 0.0345 338 CYS A CB 2802 S SG A CYS A 339 ? 0.4159 0.4794 0.4536 -0.0558 -0.0058 0.0269 338 CYS A SG 2803 S SG B CYS A 339 ? 0.2514 0.3087 0.2843 -0.0639 -0.0083 0.0286 338 CYS A SG 2804 N N . GLN A 340 ? 0.3459 0.4419 0.3943 -0.0692 -0.0032 0.0443 339 GLN A N 2805 C CA . GLN A 340 ? 0.3722 0.4818 0.4250 -0.0766 -0.0039 0.0511 339 GLN A CA 2806 C C . GLN A 340 ? 0.3435 0.4697 0.4035 -0.0701 0.0009 0.0552 339 GLN A C 2807 O O . GLN A 340 ? 0.3266 0.4721 0.3943 -0.0722 0.0013 0.0610 339 GLN A O 2808 C CB . GLN A 340 ? 0.4387 0.5355 0.4841 -0.0848 -0.0061 0.0517 339 GLN A CB 2809 C CG . GLN A 340 ? 0.5147 0.6250 0.5641 -0.0940 -0.0072 0.0591 339 GLN A CG 2810 C CD . GLN A 340 ? 0.6188 0.7139 0.6592 -0.1022 -0.0093 0.0596 339 GLN A CD 2811 O OE1 . GLN A 340 ? 0.7020 0.7863 0.7375 -0.0981 -0.0069 0.0577 339 GLN A OE1 2812 N NE2 . GLN A 340 ? 0.6784 0.7716 0.7156 -0.1140 -0.0142 0.0623 339 GLN A NE2 2813 N N . ALA A 341 ? 0.3129 0.4321 0.3704 -0.0618 0.0045 0.0521 340 ALA A N 2814 C CA . ALA A 341 ? 0.3119 0.4440 0.3740 -0.0542 0.0094 0.0553 340 ALA A CA 2815 C C . ALA A 341 ? 0.2994 0.4456 0.3677 -0.0476 0.0111 0.0564 340 ALA A C 2816 O O . ALA A 341 ? 0.2839 0.4468 0.3578 -0.0439 0.0143 0.0615 340 ALA A O 2817 C CB . ALA A 341 ? 0.3152 0.4343 0.3715 -0.0468 0.0122 0.0510 340 ALA A CB 2818 N N . TRP A 342 ? 0.2722 0.4118 0.3392 -0.0458 0.0092 0.0520 341 TRP A N 2819 C CA . TRP A 342 ? 0.2635 0.4145 0.3353 -0.0392 0.0107 0.0528 341 TRP A CA 2820 C C . TRP A 342 ? 0.2759 0.4470 0.3555 -0.0440 0.0092 0.0591 341 TRP A C 2821 O O . TRP A 342 ? 0.2523 0.4374 0.3367 -0.0375 0.0117 0.0620 341 TRP A O 2822 C CB . TRP A 342 ? 0.2516 0.3898 0.3196 -0.0363 0.0090 0.0466 341 TRP A CB 2823 C CG . TRP A 342 ? 0.2557 0.3786 0.3176 -0.0296 0.0110 0.0410 341 TRP A CG 2824 C CD1 . TRP A 342 ? 0.2505 0.3722 0.3104 -0.0230 0.0148 0.0410 341 TRP A CD1 2825 C CD2 . TRP A 342 ? 0.2389 0.3462 0.2958 -0.0289 0.0092 0.0350 341 TRP A CD2 2826 N NE1 . TRP A 342 ? 0.2616 0.3679 0.3157 -0.0190 0.0150 0.0352 341 TRP A NE1 2827 C CE2 . TRP A 342 ? 0.2537 0.3517 0.3063 -0.0224 0.0117 0.0317 341 TRP A CE2 2828 C CE3 . TRP A 342 ? 0.2557 0.3562 0.3110 -0.0329 0.0057 0.0323 341 TRP A CE3 2829 C CZ2 . TRP A 342 ? 0.2543 0.3381 0.3022 -0.0205 0.0107 0.0262 341 TRP A CZ2 2830 C CZ3 . TRP A 342 ? 0.2424 0.3284 0.2926 -0.0302 0.0052 0.0267 341 TRP A CZ3 2831 C CH2 . TRP A 342 ? 0.2538 0.3325 0.3009 -0.0243 0.0077 0.0239 341 TRP A CH2 2832 N N . GLN A 343 ? 0.3094 0.4816 0.3896 -0.0553 0.0051 0.0615 342 GLN A N 2833 C CA . GLN A 343 ? 0.3621 0.5541 0.4498 -0.0615 0.0029 0.0680 342 GLN A CA 2834 C C . GLN A 343 ? 0.3592 0.5740 0.4548 -0.0567 0.0072 0.0752 342 GLN A C 2835 O O . GLN A 343 ? 0.3778 0.6108 0.4803 -0.0549 0.0074 0.0794 342 GLN A O 2836 C CB . GLN A 343 ? 0.4234 0.6120 0.5091 -0.0752 -0.0017 0.0703 342 GLN A CB 2837 C CG . GLN A 343 ? 0.4559 0.6246 0.5336 -0.0809 -0.0065 0.0644 342 GLN A CG 2838 C CD . GLN A 343 ? 0.5147 0.6802 0.5892 -0.0948 -0.0116 0.0672 342 GLN A CD 2839 O OE1 . GLN A 343 ? 0.5945 0.7569 0.6667 -0.0997 -0.0112 0.0696 342 GLN A OE1 2840 N NE2 . GLN A 343 ? 0.5179 0.6826 0.5910 -0.1016 -0.0166 0.0668 342 GLN A NE2 2841 N N . SER A 344 ? 0.3354 0.5495 0.4297 -0.0540 0.0109 0.0766 343 SER A N 2842 C CA . SER A 344 ? 0.3667 0.6023 0.4678 -0.0491 0.0154 0.0837 343 SER A CA 2843 C C . SER A 344 ? 0.3553 0.5915 0.4549 -0.0342 0.0208 0.0818 343 SER A C 2844 O O . SER A 344 ? 0.3459 0.5996 0.4501 -0.0279 0.0251 0.0874 343 SER A O 2845 C CB . SER A 344 ? 0.3866 0.6230 0.4868 -0.0542 0.0168 0.0874 343 SER A CB 2846 O OG . SER A 344 ? 0.4233 0.6404 0.5154 -0.0489 0.0190 0.0817 343 SER A OG 2847 N N . ARG A 345 ? 0.3103 0.5278 0.4032 -0.0287 0.0206 0.0742 344 ARG A N 2848 C CA . ARG A 345 ? 0.3091 0.5231 0.3984 -0.0155 0.0252 0.0716 344 ARG A CA 2849 C C . ARG A 345 ? 0.3081 0.5250 0.3985 -0.0095 0.0249 0.0702 344 ARG A C 2850 O O . ARG A 345 ? 0.3242 0.5380 0.4108 0.0014 0.0286 0.0685 344 ARG A O 2851 C CB . ARG A 345 ? 0.3317 0.5222 0.4119 -0.0130 0.0255 0.0643 344 ARG A CB 2852 C CG . ARG A 345 ? 0.3603 0.5472 0.4379 -0.0152 0.0271 0.0656 344 ARG A CG 2853 C CD . ARG A 345 ? 0.3994 0.5637 0.4683 -0.0132 0.0266 0.0584 344 ARG A CD 2854 N NE . ARG A 345 ? 0.4138 0.5725 0.4800 -0.0180 0.0266 0.0592 344 ARG A NE 2855 C CZ . ARG A 345 ? 0.4622 0.6029 0.5223 -0.0208 0.0246 0.0541 344 ARG A CZ 2856 N NH1 . ARG A 345 ? 0.4466 0.5734 0.5029 -0.0195 0.0224 0.0479 344 ARG A NH1 2857 N NH2 . ARG A 345 ? 0.4664 0.6034 0.5241 -0.0247 0.0248 0.0557 344 ARG A NH2 2858 N N . GLN A 346 ? 0.2697 0.4908 0.3640 -0.0165 0.0205 0.0706 345 GLN A N 2859 C CA . GLN A 346 ? 0.2506 0.4760 0.3462 -0.0109 0.0203 0.0700 345 GLN A CA 2860 C C . GLN A 346 ? 0.2451 0.4912 0.3494 -0.0173 0.0174 0.0762 345 GLN A C 2861 O O . GLN A 346 ? 0.2465 0.4977 0.3541 -0.0284 0.0141 0.0791 345 GLN A O 2862 C CB . GLN A 346 ? 0.2445 0.4487 0.3334 -0.0110 0.0177 0.0620 345 GLN A CB 2863 C CG . GLN A 346 ? 0.2345 0.4295 0.3226 -0.0227 0.0122 0.0594 345 GLN A CG 2864 C CD . GLN A 346 ? 0.2264 0.4047 0.3091 -0.0218 0.0099 0.0527 345 GLN A CD 2865 O OE1 . GLN A 346 ? 0.2239 0.3884 0.3010 -0.0155 0.0120 0.0478 345 GLN A OE1 2866 N NE2 . GLN A 346 ? 0.2139 0.3940 0.2982 -0.0282 0.0057 0.0527 345 GLN A NE2 2867 N N . GLU A 347 ? 0.2518 0.5103 0.3593 -0.0101 0.0188 0.0788 346 GLU A N 2868 C CA . GLU A 347 ? 0.2539 0.5339 0.3700 -0.0148 0.0160 0.0849 346 GLU A CA 2869 C C . GLU A 347 ? 0.2381 0.5088 0.3528 -0.0234 0.0098 0.0810 346 GLU A C 2870 O O . GLU A 347 ? 0.2188 0.5008 0.3385 -0.0335 0.0054 0.0848 346 GLU A O 2871 C CB . GLU A 347 ? 0.2867 0.5820 0.4056 -0.0021 0.0201 0.0888 346 GLU A CB 2872 C CG . GLU A 347 ? 0.3307 0.6487 0.4581 -0.0043 0.0176 0.0949 346 GLU A CG 2873 C CD . GLU A 347 ? 0.4017 0.7373 0.5318 0.0095 0.0228 0.1003 346 GLU A CD 2874 O OE1 . GLU A 347 ? 0.4393 0.7746 0.5663 0.0194 0.0286 0.1013 346 GLU A OE1 2875 O OE2 . GLU A 347 ? 0.4166 0.7663 0.5514 0.0109 0.0211 0.1036 346 GLU A OE2 2876 N N . HIS A 348 ? 0.2174 0.4674 0.3246 -0.0196 0.0095 0.0735 347 HIS A N 2877 C CA A HIS A 348 ? 0.2173 0.4570 0.3219 -0.0269 0.0041 0.0694 347 HIS A CA 2878 C CA B HIS A 348 ? 0.2183 0.4579 0.3229 -0.0271 0.0040 0.0695 347 HIS A CA 2879 C C . HIS A 348 ? 0.2191 0.4500 0.3217 -0.0397 0.0000 0.0683 347 HIS A C 2880 O O . HIS A 348 ? 0.2127 0.4352 0.3125 -0.0407 0.0017 0.0671 347 HIS A O 2881 C CB A HIS A 348 ? 0.2169 0.4350 0.3135 -0.0207 0.0049 0.0616 347 HIS A CB 2882 C CB B HIS A 348 ? 0.2168 0.4357 0.3136 -0.0208 0.0049 0.0619 347 HIS A CB 2883 C CG A HIS A 348 ? 0.2184 0.4399 0.3146 -0.0109 0.0069 0.0615 347 HIS A CG 2884 C CG B HIS A 348 ? 0.2172 0.4415 0.3144 -0.0116 0.0066 0.0624 347 HIS A CG 2885 N ND1 A HIS A 348 ? 0.2313 0.4470 0.3233 0.0006 0.0119 0.0598 347 HIS A ND1 2886 N ND1 B HIS A 348 ? 0.2174 0.4456 0.3161 -0.0143 0.0030 0.0625 347 HIS A ND1 2887 C CD2 A HIS A 348 ? 0.2229 0.4497 0.3206 -0.0111 0.0043 0.0620 347 HIS A CD2 2888 C CD2 B HIS A 348 ? 0.2225 0.4481 0.3179 0.0003 0.0115 0.0628 347 HIS A CD2 2889 C CE1 A HIS A 348 ? 0.2233 0.4412 0.3145 0.0070 0.0124 0.0598 347 HIS A CE1 2890 C CE1 B HIS A 348 ? 0.2221 0.4542 0.3202 -0.0042 0.0057 0.0631 347 HIS A CE1 2891 N NE2 A HIS A 348 ? 0.2302 0.4554 0.3252 0.0003 0.0080 0.0612 347 HIS A NE2 2892 N NE2 B HIS A 348 ? 0.2219 0.4520 0.3177 0.0048 0.0109 0.0633 347 HIS A NE2 2893 N N . GLN A 349 ? 0.2301 0.4617 0.3331 -0.0491 -0.0055 0.0685 348 GLN A N 2894 C CA . GLN A 349 ? 0.2631 0.4847 0.3623 -0.0614 -0.0098 0.0675 348 GLN A CA 2895 C C . GLN A 349 ? 0.2419 0.4372 0.3315 -0.0607 -0.0096 0.0599 348 GLN A C 2896 O O . GLN A 349 ? 0.2245 0.4075 0.3098 -0.0540 -0.0085 0.0544 348 GLN A O 2897 C CB . GLN A 349 ? 0.3113 0.5346 0.4100 -0.0709 -0.0162 0.0681 348 GLN A CB 2898 C CG . GLN A 349 ? 0.3929 0.6423 0.5008 -0.0744 -0.0181 0.0758 348 GLN A CG 2899 C CD . GLN A 349 ? 0.4684 0.7157 0.5737 -0.0843 -0.0249 0.0753 348 GLN A CD 2900 O OE1 . GLN A 349 ? 0.5207 0.7574 0.6205 -0.0957 -0.0295 0.0744 348 GLN A OE1 2901 N NE2 . GLN A 349 ? 0.4898 0.7449 0.5974 -0.0796 -0.0258 0.0755 348 GLN A NE2 2902 N N . VAL A 350 ? 0.2387 0.4259 0.3250 -0.0677 -0.0107 0.0599 349 VAL A N 2903 C CA . VAL A 350 ? 0.2439 0.4068 0.3207 -0.0689 -0.0113 0.0534 349 VAL A CA 2904 C C . VAL A 350 ? 0.2684 0.4232 0.3401 -0.0815 -0.0170 0.0535 349 VAL A C 2905 O O . VAL A 350 ? 0.2774 0.4397 0.3510 -0.0896 -0.0185 0.0585 349 VAL A O 2906 C CB . VAL A 350 ? 0.2462 0.4038 0.3216 -0.0651 -0.0073 0.0530 349 VAL A CB 2907 C CG1 . VAL A 350 ? 0.2513 0.3851 0.3172 -0.0664 -0.0082 0.0468 349 VAL A CG1 2908 C CG2 . VAL A 350 ? 0.2451 0.4092 0.3239 -0.0529 -0.0018 0.0529 349 VAL A CG2 2909 N N A LEU A 351 ? 0.2662 0.4057 0.3307 -0.0832 -0.0202 0.0484 350 LEU A N 2910 N N B LEU A 351 ? 0.2661 0.4056 0.3306 -0.0832 -0.0202 0.0484 350 LEU A N 2911 C CA A LEU A 351 ? 0.2893 0.4171 0.3460 -0.0944 -0.0257 0.0477 350 LEU A CA 2912 C CA B LEU A 351 ? 0.2888 0.4167 0.3455 -0.0944 -0.0257 0.0478 350 LEU A CA 2913 C C A LEU A 351 ? 0.3016 0.4052 0.3477 -0.0934 -0.0252 0.0420 350 LEU A C 2914 C C B LEU A 351 ? 0.3015 0.4050 0.3476 -0.0934 -0.0252 0.0420 350 LEU A C 2915 O O A LEU A 351 ? 0.3030 0.3961 0.3461 -0.0854 -0.0230 0.0368 350 LEU A O 2916 O O B LEU A 351 ? 0.3028 0.3959 0.3459 -0.0854 -0.0230 0.0368 350 LEU A O 2917 C CB A LEU A 351 ? 0.3031 0.4304 0.3577 -0.0971 -0.0298 0.0463 350 LEU A CB 2918 C CB B LEU A 351 ? 0.3030 0.4311 0.3580 -0.0969 -0.0298 0.0464 350 LEU A CB 2919 C CG A LEU A 351 ? 0.3077 0.4585 0.3721 -0.0972 -0.0308 0.0515 350 LEU A CG 2920 C CG B LEU A 351 ? 0.3074 0.4597 0.3726 -0.0967 -0.0305 0.0518 350 LEU A CG 2921 C CD1 A LEU A 351 ? 0.3081 0.4782 0.3800 -0.1043 -0.0316 0.0592 350 LEU A CD1 2922 C CD1 B LEU A 351 ? 0.3082 0.4673 0.3787 -0.0838 -0.0257 0.0504 350 LEU A CD1 2923 C CD2 A LEU A 351 ? 0.3082 0.4665 0.3784 -0.0842 -0.0257 0.0504 350 LEU A CD2 2924 C CD2 B LEU A 351 ? 0.3157 0.4678 0.3774 -0.1048 -0.0367 0.0520 350 LEU A CD2 2925 N N . LEU A 352 ? 0.3103 0.4053 0.3507 -0.1014 -0.0272 0.0433 351 LEU A N 2926 C CA . LEU A 352 ? 0.3321 0.4038 0.3615 -0.1006 -0.0270 0.0384 351 LEU A CA 2927 C C . LEU A 352 ? 0.3437 0.3989 0.3617 -0.1080 -0.0323 0.0358 351 LEU A C 2928 O O . LEU A 352 ? 0.3678 0.4273 0.3846 -0.1183 -0.0368 0.0394 351 LEU A O 2929 C CB . LEU A 352 ? 0.3796 0.4495 0.4081 -0.1036 -0.0254 0.0411 351 LEU A CB 2930 C CG . LEU A 352 ? 0.4077 0.4794 0.4402 -0.0930 -0.0196 0.0397 351 LEU A CG 2931 C CD1 . LEU A 352 ? 0.4049 0.4993 0.4497 -0.0877 -0.0164 0.0435 351 LEU A CD1 2932 C CD2 . LEU A 352 ? 0.4382 0.5023 0.4665 -0.0957 -0.0185 0.0411 351 LEU A CD2 2933 N N . GLN A 353 ? 0.3179 0.3547 0.3271 -0.1029 -0.0319 0.0298 352 GLN A N 2934 C CA . GLN A 353 ? 0.3471 0.3656 0.3432 -0.1087 -0.0364 0.0270 352 GLN A CA 2935 C C . GLN A 353 ? 0.3476 0.3432 0.3318 -0.1051 -0.0352 0.0225 352 GLN A C 2936 O O . GLN A 353 ? 0.3214 0.3111 0.3049 -0.0955 -0.0319 0.0183 352 GLN A O 2937 C CB . GLN A 353 ? 0.3594 0.3793 0.3555 -0.1057 -0.0378 0.0243 352 GLN A CB 2938 C CG . GLN A 353 ? 0.3824 0.3819 0.3634 -0.1107 -0.0423 0.0210 352 GLN A CG 2939 C CD . GLN A 353 ? 0.4123 0.4109 0.3882 -0.1241 -0.0481 0.0247 352 GLN A CD 2940 O OE1 . GLN A 353 ? 0.4269 0.4429 0.4106 -0.1295 -0.0507 0.0287 352 GLN A OE1 2941 N NE2 . GLN A 353 ? 0.4171 0.3961 0.3798 -0.1297 -0.0502 0.0238 352 GLN A NE2 2942 N N . GLU A 354 ? 0.3469 0.3297 0.3214 -0.1130 -0.0378 0.0238 353 GLU A N 2943 C CA . GLU A 354 ? 0.3635 0.3227 0.3244 -0.1102 -0.0372 0.0199 353 GLU A CA 2944 C C . GLU A 354 ? 0.3645 0.3064 0.3130 -0.1089 -0.0397 0.0152 353 GLU A C 2945 O O . GLU A 354 ? 0.3573 0.2983 0.3017 -0.1161 -0.0442 0.0159 353 GLU A O 2946 C CB . GLU A 354 ? 0.4005 0.3497 0.3531 -0.1194 -0.0396 0.0229 353 GLU A CB 2947 C CG . GLU A 354 ? 0.4273 0.3541 0.3671 -0.1150 -0.0379 0.0197 353 GLU A CG 2948 C CD . GLU A 354 ? 0.4841 0.3972 0.4128 -0.1248 -0.0409 0.0224 353 GLU A CD 2949 O OE1 . GLU A 354 ? 0.5033 0.4266 0.4358 -0.1357 -0.0441 0.0273 353 GLU A OE1 2950 O OE2 . GLU A 354 ? 0.4890 0.3814 0.4049 -0.1215 -0.0401 0.0199 353 GLU A OE2 2951 N N . LEU A 355 ? 0.3601 0.2885 0.3022 -0.0997 -0.0367 0.0108 354 LEU A N 2952 C CA . LEU A 355 ? 0.3766 0.2867 0.3053 -0.0967 -0.0382 0.0063 354 LEU A CA 2953 C C . LEU A 355 ? 0.4032 0.2902 0.3166 -0.0951 -0.0378 0.0044 354 LEU A C 2954 O O . LEU A 355 ? 0.3786 0.2605 0.2910 -0.0854 -0.0339 0.0019 354 LEU A O 2955 C CB . LEU A 355 ? 0.3652 0.2818 0.3005 -0.0859 -0.0345 0.0032 354 LEU A CB 2956 C CG . LEU A 355 ? 0.3615 0.3007 0.3120 -0.0855 -0.0340 0.0050 354 LEU A CG 2957 C CD1 . LEU A 355 ? 0.3545 0.2987 0.3110 -0.0748 -0.0299 0.0021 354 LEU A CD1 2958 C CD2 . LEU A 355 ? 0.3746 0.3146 0.3214 -0.0934 -0.0390 0.0058 354 LEU A CD2 2959 N N . PRO A 356 ? 0.4356 0.3081 0.3363 -0.1049 -0.0420 0.0059 355 PRO A N 2960 C CA . PRO A 356 ? 0.4604 0.3095 0.3452 -0.1030 -0.0416 0.0043 355 PRO A CA 2961 C C . PRO A 356 ? 0.4649 0.2952 0.3360 -0.0944 -0.0407 -0.0006 355 PRO A C 2962 O O . PRO A 356 ? 0.4557 0.2796 0.3195 -0.0964 -0.0436 -0.0025 355 PRO A O 2963 C CB . PRO A 356 ? 0.4933 0.3307 0.3668 -0.1166 -0.0470 0.0071 355 PRO A CB 2964 C CG . PRO A 356 ? 0.4963 0.3528 0.3807 -0.1257 -0.0504 0.0104 355 PRO A CG 2965 C CD . PRO A 356 ? 0.4714 0.3467 0.3701 -0.1177 -0.0476 0.0088 355 PRO A CD 2966 N N . GLY A 357 ? 0.4558 0.2784 0.3236 -0.0847 -0.0366 -0.0024 356 GLY A N 2967 C CA . GLY A 357 ? 0.4752 0.2812 0.3303 -0.0751 -0.0350 -0.0065 356 GLY A CA 2968 C C . GLY A 357 ? 0.4696 0.2901 0.3359 -0.0661 -0.0318 -0.0086 356 GLY A C 2969 O O . GLY A 357 ? 0.4863 0.2959 0.3433 -0.0586 -0.0305 -0.0116 356 GLY A O 2970 N N . SER A 358 ? 0.4376 0.2821 0.3232 -0.0667 -0.0304 -0.0068 357 SER A N 2971 C CA . SER A 358 ? 0.4207 0.2783 0.3164 -0.0592 -0.0277 -0.0085 357 SER A CA 2972 C C . SER A 358 ? 0.3962 0.2624 0.3011 -0.0498 -0.0228 -0.0088 357 SER A C 2973 O O . SER A 358 ? 0.3825 0.2618 0.2990 -0.0509 -0.0214 -0.0065 357 SER A O 2974 C CB . SER A 358 ? 0.4172 0.2942 0.3265 -0.0650 -0.0294 -0.0065 357 SER A CB 2975 O OG . SER A 358 ? 0.4266 0.3138 0.3435 -0.0585 -0.0272 -0.0082 357 SER A OG 2976 N N . GLU A 359 ? 0.3812 0.2403 0.2805 -0.0405 -0.0202 -0.0113 358 GLU A N 2977 C CA . GLU A 359 ? 0.3680 0.2353 0.2753 -0.0317 -0.0159 -0.0115 358 GLU A CA 2978 C C . GLU A 359 ? 0.3324 0.2208 0.2567 -0.0296 -0.0140 -0.0111 358 GLU A C 2979 O O . GLU A 359 ? 0.3218 0.2164 0.2497 -0.0317 -0.0152 -0.0116 358 GLU A O 2980 C CB . GLU A 359 ? 0.4053 0.2588 0.3006 -0.0225 -0.0139 -0.0137 358 GLU A CB 2981 C CG . GLU A 359 ? 0.4247 0.2854 0.3264 -0.0135 -0.0099 -0.0135 358 GLU A CG 2982 C CD . GLU A 359 ? 0.4450 0.3223 0.3592 -0.0085 -0.0074 -0.0140 358 GLU A CD 2983 O OE1 . GLU A 359 ? 0.4667 0.3448 0.3801 -0.0088 -0.0081 -0.0152 358 GLU A OE1 2984 O OE2 . GLU A 359 ? 0.4312 0.3204 0.3558 -0.0046 -0.0050 -0.0131 358 GLU A OE2 2985 N N . HIS A 360 ? 0.3149 0.2134 0.2487 -0.0254 -0.0112 -0.0103 359 HIS A N 2986 C CA . HIS A 360 ? 0.2988 0.2160 0.2479 -0.0241 -0.0095 -0.0096 359 HIS A CA 2987 C C . HIS A 360 ? 0.3112 0.2342 0.2638 -0.0209 -0.0088 -0.0111 359 HIS A C 2988 O O . HIS A 360 ? 0.2977 0.2319 0.2589 -0.0237 -0.0093 -0.0104 359 HIS A O 2989 C CB . HIS A 360 ? 0.2847 0.2072 0.2393 -0.0184 -0.0067 -0.0092 359 HIS A CB 2990 C CG . HIS A 360 ? 0.2668 0.2060 0.2353 -0.0179 -0.0052 -0.0083 359 HIS A CG 2991 N ND1 . HIS A 360 ? 0.2677 0.2157 0.2432 -0.0232 -0.0060 -0.0064 359 HIS A ND1 2992 C CD2 . HIS A 360 ? 0.2625 0.2106 0.2380 -0.0129 -0.0031 -0.0090 359 HIS A CD2 2993 C CE1 . HIS A 360 ? 0.2588 0.2189 0.2442 -0.0207 -0.0043 -0.0062 359 HIS A CE1 2994 N NE2 . HIS A 360 ? 0.2509 0.2109 0.2363 -0.0150 -0.0028 -0.0078 359 HIS A NE2 2995 N N . ILE A 361 ? 0.3462 0.2624 0.2925 -0.0145 -0.0073 -0.0128 360 ILE A N 2996 C CA . ILE A 361 ? 0.3936 0.3146 0.3422 -0.0113 -0.0064 -0.0139 360 ILE A CA 2997 C C . ILE A 361 ? 0.4023 0.3142 0.3415 -0.0147 -0.0090 -0.0151 360 ILE A C 2998 O O . ILE A 361 ? 0.3892 0.3085 0.3333 -0.0163 -0.0096 -0.0152 360 ILE A O 2999 C CB . ILE A 361 ? 0.4550 0.3747 0.4013 -0.0026 -0.0034 -0.0147 360 ILE A CB 3000 C CG1 . ILE A 361 ? 0.4758 0.4064 0.4323 0.0000 -0.0012 -0.0135 360 ILE A CG1 3001 C CG2 . ILE A 361 ? 0.4698 0.3941 0.4177 0.0002 -0.0023 -0.0156 360 ILE A CG2 3002 C CD1 . ILE A 361 ? 0.5222 0.4528 0.4768 0.0081 0.0014 -0.0135 360 ILE A CD1 3003 N N . GLU A 362 ? 0.3983 0.2935 0.3235 -0.0160 -0.0107 -0.0159 361 GLU A N 3004 C CA . GLU A 362 ? 0.4315 0.3157 0.3456 -0.0195 -0.0136 -0.0172 361 GLU A CA 3005 C C . GLU A 362 ? 0.4112 0.3037 0.3316 -0.0285 -0.0170 -0.0158 361 GLU A C 3006 O O . GLU A 362 ? 0.3824 0.2719 0.2979 -0.0311 -0.0193 -0.0167 361 GLU A O 3007 C CB . GLU A 362 ? 0.5031 0.3658 0.3994 -0.0200 -0.0152 -0.0181 361 GLU A CB 3008 C CG . GLU A 362 ? 0.5827 0.4366 0.4707 -0.0096 -0.0118 -0.0194 361 GLU A CG 3009 C CD . GLU A 362 ? 0.6857 0.5170 0.5549 -0.0086 -0.0128 -0.0202 361 GLU A CD 3010 O OE1 . GLU A 362 ? 0.7518 0.5717 0.6125 -0.0169 -0.0167 -0.0201 361 GLU A OE1 3011 O OE2 . GLU A 362 ? 0.7928 0.6176 0.6554 0.0007 -0.0097 -0.0208 361 GLU A OE2 3012 N N . MET A 363 ? 0.3744 0.2778 0.3052 -0.0329 -0.0173 -0.0136 362 MET A N 3013 C CA . MET A 363 ? 0.3700 0.2827 0.3070 -0.0411 -0.0204 -0.0116 362 MET A CA 3014 C C . MET A 363 ? 0.3558 0.2807 0.3008 -0.0396 -0.0200 -0.0118 362 MET A C 3015 O O . MET A 363 ? 0.3438 0.2727 0.2895 -0.0454 -0.0230 -0.0108 362 MET A O 3016 C CB . MET A 363 ? 0.3786 0.3021 0.3255 -0.0450 -0.0201 -0.0087 362 MET A CB 3017 C CG . MET A 363 ? 0.4010 0.3404 0.3620 -0.0403 -0.0166 -0.0078 362 MET A CG 3018 S SD . MET A 363 ? 0.4446 0.3969 0.4157 -0.0461 -0.0170 -0.0040 362 MET A SD 3019 C CE . MET A 363 ? 0.4456 0.3834 0.4070 -0.0480 -0.0174 -0.0036 362 MET A CE 3020 N N . LEU A 364 ? 0.3505 0.2809 0.3009 -0.0320 -0.0164 -0.0129 363 LEU A N 3021 C CA . LEU A 364 ? 0.3578 0.2983 0.3148 -0.0299 -0.0156 -0.0131 363 LEU A CA 3022 C C . LEU A 364 ? 0.3520 0.2841 0.2993 -0.0299 -0.0174 -0.0148 363 LEU A C 3023 O O . LEU A 364 ? 0.3429 0.2831 0.2948 -0.0301 -0.0178 -0.0145 363 LEU A O 3024 C CB . LEU A 364 ? 0.3670 0.3142 0.3310 -0.0225 -0.0115 -0.0136 363 LEU A CB 3025 C CG . LEU A 364 ? 0.3759 0.3358 0.3521 -0.0221 -0.0097 -0.0119 363 LEU A CG 3026 C CD1 . LEU A 364 ? 0.3897 0.3549 0.3709 -0.0157 -0.0064 -0.0125 363 LEU A CD1 3027 C CD2 . LEU A 364 ? 0.3624 0.3337 0.3465 -0.0264 -0.0111 -0.0099 363 LEU A CD2 3028 N N . ALA A 365 ? 0.3533 0.2687 0.2865 -0.0290 -0.0183 -0.0165 364 ALA A N 3029 C CA . ALA A 365 ? 0.3814 0.2861 0.3027 -0.0285 -0.0200 -0.0185 364 ALA A CA 3030 C C . ALA A 365 ? 0.3988 0.2899 0.3075 -0.0362 -0.0248 -0.0187 364 ALA A C 3031 O O . ALA A 365 ? 0.4509 0.3289 0.3462 -0.0363 -0.0267 -0.0206 364 ALA A O 3032 C CB . ALA A 365 ? 0.3830 0.2785 0.2964 -0.0195 -0.0166 -0.0204 364 ALA A CB 3033 N N . ASN A 366 ? 0.3790 0.2729 0.2914 -0.0430 -0.0269 -0.0167 365 ASN A N 3034 C CA . ASN A 366 ? 0.3957 0.2759 0.2957 -0.0513 -0.0316 -0.0165 365 ASN A CA 3035 C C . ASN A 366 ? 0.3883 0.2759 0.2907 -0.0597 -0.0362 -0.0150 365 ASN A C 3036 O O . ASN A 366 ? 0.3499 0.2564 0.2670 -0.0615 -0.0359 -0.0126 365 ASN A O 3037 C CB . ASN A 366 ? 0.4070 0.2873 0.3100 -0.0544 -0.0313 -0.0146 365 ASN A CB 3038 C CG . ASN A 366 ? 0.4392 0.3058 0.3301 -0.0640 -0.0361 -0.0138 365 ASN A CG 3039 O OD1 . ASN A 366 ? 0.4673 0.3374 0.3581 -0.0728 -0.0406 -0.0122 365 ASN A OD1 3040 N ND2 . ASN A 366 ? 0.4572 0.3080 0.3375 -0.0626 -0.0354 -0.0144 365 ASN A ND2 3041 N N . ALA A 367 ? 0.4066 0.2788 0.2935 -0.0645 -0.0404 -0.0164 366 ALA A N 3042 C CA . ALA A 367 ? 0.4116 0.2893 0.2986 -0.0726 -0.0454 -0.0152 366 ALA A CA 3043 C C . ALA A 367 ? 0.3945 0.2870 0.2924 -0.0821 -0.0483 -0.0110 366 ALA A C 3044 O O . ALA A 367 ? 0.3938 0.3016 0.3005 -0.0860 -0.0505 -0.0088 366 ALA A O 3045 C CB . ALA A 367 ? 0.4450 0.2999 0.3104 -0.0766 -0.0499 -0.0176 366 ALA A CB 3046 N N . THR A 368 ? 0.4080 0.2961 0.3049 -0.0859 -0.0484 -0.0096 367 THR A N 3047 C CA A THR A 368 ? 0.3992 0.3023 0.3068 -0.0946 -0.0507 -0.0051 367 THR A CA 3048 C CA B THR A 368 ? 0.3877 0.2907 0.2952 -0.0946 -0.0507 -0.0051 367 THR A CA 3049 C C . THR A 368 ? 0.3652 0.2923 0.2930 -0.0894 -0.0464 -0.0028 367 THR A C 3050 O O . THR A 368 ? 0.3371 0.2821 0.2758 -0.0942 -0.0480 0.0007 367 THR A O 3051 C CB A THR A 368 ? 0.4311 0.3228 0.3317 -0.1000 -0.0517 -0.0038 367 THR A CB 3052 C CB B THR A 368 ? 0.4051 0.2956 0.3050 -0.0994 -0.0515 -0.0042 367 THR A CB 3053 O OG1 A THR A 368 ? 0.4464 0.3324 0.3474 -0.0909 -0.0464 -0.0056 367 THR A OG1 3054 O OG1 B THR A 368 ? 0.4271 0.2932 0.3062 -0.1040 -0.0556 -0.0064 367 THR A OG1 3055 C CG2 A THR A 368 ? 0.4596 0.3277 0.3396 -0.1070 -0.0568 -0.0055 367 THR A CG2 3056 C CG2 B THR A 368 ? 0.3923 0.2989 0.3031 -0.1087 -0.0536 0.0009 367 THR A CG2 3057 N N . THR A 369 ? 0.3403 0.2676 0.2723 -0.0794 -0.0410 -0.0047 368 THR A N 3058 C CA . THR A 369 ? 0.3184 0.2656 0.2674 -0.0739 -0.0370 -0.0031 368 THR A CA 3059 C C . THR A 369 ? 0.3016 0.2605 0.2565 -0.0725 -0.0376 -0.0028 368 THR A C 3060 O O . THR A 369 ? 0.2771 0.2543 0.2444 -0.0733 -0.0372 0.0002 368 THR A O 3061 C CB . THR A 369 ? 0.3171 0.2610 0.2679 -0.0637 -0.0316 -0.0056 368 THR A CB 3062 O OG1 . THR A 369 ? 0.3355 0.2674 0.2796 -0.0638 -0.0308 -0.0061 368 THR A OG1 3063 C CG2 . THR A 369 ? 0.3106 0.2730 0.2770 -0.0590 -0.0280 -0.0039 368 THR A CG2 3064 N N . LEU A 370 ? 0.3092 0.2572 0.2544 -0.0700 -0.0385 -0.0059 369 LEU A N 3065 C CA . LEU A 370 ? 0.3093 0.2666 0.2587 -0.0679 -0.0389 -0.0059 369 LEU A CA 3066 C C . LEU A 370 ? 0.3114 0.2776 0.2623 -0.0771 -0.0442 -0.0028 369 LEU A C 3067 O O . LEU A 370 ? 0.2944 0.2768 0.2553 -0.0762 -0.0441 -0.0006 369 LEU A O 3068 C CB . LEU A 370 ? 0.3295 0.2722 0.2672 -0.0627 -0.0383 -0.0097 369 LEU A CB 3069 C CG . LEU A 370 ? 0.3347 0.2727 0.2730 -0.0531 -0.0328 -0.0120 369 LEU A CG 3070 C CD1 . LEU A 370 ? 0.3687 0.2914 0.2937 -0.0481 -0.0321 -0.0154 369 LEU A CD1 3071 C CD2 . LEU A 370 ? 0.3275 0.2822 0.2806 -0.0477 -0.0289 -0.0108 369 LEU A CD2 3072 N N . ALA A 371 ? 0.3194 0.2751 0.2603 -0.0860 -0.0489 -0.0023 370 ALA A N 3073 C CA . ALA A 371 ? 0.3312 0.2964 0.2737 -0.0961 -0.0545 0.0011 370 ALA A CA 3074 C C . ALA A 371 ? 0.3133 0.3013 0.2725 -0.0982 -0.0534 0.0062 370 ALA A C 3075 O O . ALA A 371 ? 0.3201 0.3249 0.2873 -0.1015 -0.0557 0.0096 370 ALA A O 3076 C CB . ALA A 371 ? 0.3537 0.3013 0.2809 -0.1061 -0.0599 0.0008 370 ALA A CB 3077 N N . TYR A 372 ? 0.3054 0.2940 0.2694 -0.0958 -0.0498 0.0068 371 TYR A N 3078 C CA . TYR A 372 ? 0.2957 0.3053 0.2749 -0.0961 -0.0478 0.0114 371 TYR A CA 3079 C C . TYR A 372 ? 0.2604 0.2858 0.2513 -0.0874 -0.0440 0.0119 371 TYR A C 3080 O O . TYR A 372 ? 0.2416 0.2858 0.2426 -0.0887 -0.0446 0.0160 371 TYR A O 3081 C CB . TYR A 372 ? 0.2999 0.3049 0.2804 -0.0943 -0.0443 0.0114 371 TYR A CB 3082 C CG . TYR A 372 ? 0.3041 0.3289 0.2978 -0.0960 -0.0428 0.0165 371 TYR A CG 3083 C CD1 . TYR A 372 ? 0.2947 0.3351 0.3007 -0.0879 -0.0384 0.0177 371 TYR A CD1 3084 C CD2 . TYR A 372 ? 0.3324 0.3600 0.3257 -0.1057 -0.0459 0.0204 371 TYR A CD2 3085 C CE1 . TYR A 372 ? 0.2920 0.3502 0.3091 -0.0885 -0.0367 0.0225 371 TYR A CE1 3086 C CE2 . TYR A 372 ? 0.3274 0.3742 0.3329 -0.1068 -0.0441 0.0256 371 TYR A CE2 3087 C CZ . TYR A 372 ? 0.3128 0.3752 0.3302 -0.0978 -0.0394 0.0266 371 TYR A CZ 3088 O OH . TYR A 372 ? 0.2949 0.3762 0.3234 -0.0979 -0.0374 0.0318 371 TYR A OH 3089 N N . LEU A 373 ? 0.2565 0.2739 0.2456 -0.0784 -0.0401 0.0080 372 LEU A N 3090 C CA . LEU A 373 ? 0.2483 0.2773 0.2462 -0.0705 -0.0367 0.0081 372 LEU A CA 3091 C C . LEU A 373 ? 0.2477 0.2851 0.2464 -0.0724 -0.0399 0.0095 372 LEU A C 3092 O O . LEU A 373 ? 0.2331 0.2868 0.2416 -0.0693 -0.0386 0.0123 372 LEU A O 3093 C CB . LEU A 373 ? 0.2536 0.2711 0.2478 -0.0620 -0.0326 0.0037 372 LEU A CB 3094 C CG . LEU A 373 ? 0.2518 0.2783 0.2535 -0.0540 -0.0289 0.0036 372 LEU A CG 3095 C CD1 . LEU A 373 ? 0.2457 0.2866 0.2588 -0.0511 -0.0259 0.0066 372 LEU A CD1 3096 C CD2 . LEU A 373 ? 0.2611 0.2755 0.2578 -0.0473 -0.0257 -0.0004 372 LEU A CD2 3097 N N . LYS A 374 ? 0.2684 0.2941 0.2560 -0.0771 -0.0441 0.0075 373 LYS A N 3098 C CA . LYS A 374 ? 0.2810 0.3136 0.2681 -0.0796 -0.0477 0.0088 373 LYS A CA 3099 C C . LYS A 374 ? 0.2968 0.3495 0.2933 -0.0859 -0.0507 0.0145 373 LYS A C 3100 O O . LYS A 374 ? 0.2764 0.3439 0.2799 -0.0834 -0.0509 0.0169 373 LYS A O 3101 C CB . LYS A 374 ? 0.3076 0.3226 0.2792 -0.0850 -0.0524 0.0059 373 LYS A CB 3102 C CG . LYS A 374 ? 0.3207 0.3407 0.2904 -0.0857 -0.0556 0.0062 373 LYS A CG 3103 C CD . LYS A 374 ? 0.3519 0.3535 0.3049 -0.0912 -0.0605 0.0033 373 LYS A CD 3104 C CE . LYS A 374 ? 0.3706 0.3766 0.3214 -0.0906 -0.0632 0.0033 373 LYS A CE 3105 N NZ . LYS A 374 ? 0.4025 0.3881 0.3350 -0.0955 -0.0678 0.0001 373 LYS A NZ 3106 N N . ARG A 375 ? 0.3092 0.3628 0.3058 -0.0937 -0.0529 0.0170 374 ARG A N 3107 C CA A ARG A 375 ? 0.3231 0.3974 0.3295 -0.1000 -0.0555 0.0231 374 ARG A CA 3108 C CA B ARG A 375 ? 0.3230 0.3974 0.3294 -0.1001 -0.0555 0.0231 374 ARG A CA 3109 C C . ARG A 375 ? 0.2998 0.3933 0.3206 -0.0919 -0.0502 0.0263 374 ARG A C 3110 O O . ARG A 375 ? 0.2881 0.4013 0.3177 -0.0921 -0.0512 0.0308 374 ARG A O 3111 C CB A ARG A 375 ? 0.3562 0.4256 0.3588 -0.1101 -0.0584 0.0250 374 ARG A CB 3112 C CB B ARG A 375 ? 0.3590 0.4287 0.3618 -0.1101 -0.0584 0.0251 374 ARG A CB 3113 C CG A ARG A 375 ? 0.3895 0.4812 0.4023 -0.1178 -0.0612 0.0320 374 ARG A CG 3114 C CG B ARG A 375 ? 0.3933 0.4858 0.4072 -0.1170 -0.0605 0.0322 374 ARG A CG 3115 C CD A ARG A 375 ? 0.4148 0.5164 0.4271 -0.1244 -0.0672 0.0347 374 ARG A CD 3116 C CD B ARG A 375 ? 0.4263 0.5133 0.4379 -0.1244 -0.0611 0.0339 374 ARG A CD 3117 N NE A ARG A 375 ? 0.4445 0.5704 0.4682 -0.1312 -0.0694 0.0422 374 ARG A NE 3118 N NE B ARG A 375 ? 0.4351 0.5442 0.4604 -0.1249 -0.0588 0.0400 374 ARG A NE 3119 C CZ A ARG A 375 ? 0.4544 0.6036 0.4925 -0.1245 -0.0655 0.0467 374 ARG A CZ 3120 C CZ B ARG A 375 ? 0.4303 0.5444 0.4631 -0.1159 -0.0525 0.0400 374 ARG A CZ 3121 N NH1 A ARG A 375 ? 0.4812 0.6531 0.5292 -0.1307 -0.0676 0.0539 374 ARG A NH1 3122 N NH1 B ARG A 375 ? 0.4353 0.5691 0.4794 -0.1163 -0.0505 0.0458 374 ARG A NH1 3123 N NH2 A ARG A 375 ? 0.4556 0.6052 0.4978 -0.1115 -0.0596 0.0441 374 ARG A NH2 3124 N NH2 B ARG A 375 ? 0.4314 0.5311 0.4602 -0.1065 -0.0482 0.0345 374 ARG A NH2 3125 N N . VAL A 376 ? 0.2736 0.3614 0.2963 -0.0844 -0.0447 0.0239 375 VAL A N 3126 C CA . VAL A 376 ? 0.2590 0.3616 0.2931 -0.0761 -0.0395 0.0263 375 VAL A CA 3127 C C . VAL A 376 ? 0.2659 0.3752 0.3028 -0.0689 -0.0383 0.0260 375 VAL A C 3128 O O . VAL A 376 ? 0.2407 0.3679 0.2865 -0.0655 -0.0370 0.0302 375 VAL A O 3129 C CB . VAL A 376 ? 0.2638 0.3564 0.2975 -0.0697 -0.0344 0.0232 375 VAL A CB 3130 C CG1 . VAL A 376 ? 0.2569 0.3617 0.2998 -0.0607 -0.0292 0.0250 375 VAL A CG1 3131 C CG2 . VAL A 376 ? 0.2749 0.3632 0.3070 -0.0760 -0.0351 0.0244 375 VAL A CG2 3132 N N . LEU A 377 ? 0.2483 0.3431 0.2773 -0.0660 -0.0383 0.0213 376 LEU A N 3133 C CA . LEU A 377 ? 0.2486 0.3469 0.2790 -0.0587 -0.0366 0.0206 376 LEU A CA 3134 C C . LEU A 377 ? 0.2800 0.3885 0.3106 -0.0622 -0.0411 0.0233 376 LEU A C 3135 O O . LEU A 377 ? 0.2699 0.3916 0.3068 -0.0568 -0.0397 0.0260 376 LEU A O 3136 C CB . LEU A 377 ? 0.2475 0.3273 0.2693 -0.0544 -0.0348 0.0150 376 LEU A CB 3137 C CG . LEU A 377 ? 0.2465 0.3171 0.2684 -0.0497 -0.0302 0.0123 376 LEU A CG 3138 C CD1 . LEU A 377 ? 0.2541 0.3091 0.2682 -0.0455 -0.0286 0.0075 376 LEU A CD1 3139 C CD2 . LEU A 377 ? 0.2407 0.3224 0.2717 -0.0429 -0.0257 0.0145 376 LEU A CD2 3140 N N . LEU A 378 ? 0.3092 0.4111 0.3323 -0.0712 -0.0466 0.0227 377 LEU A N 3141 C CA . LEU A 378 ? 0.3426 0.4507 0.3635 -0.0750 -0.0515 0.0244 377 LEU A CA 3142 C C . LEU A 378 ? 0.3700 0.4948 0.3962 -0.0842 -0.0564 0.0301 377 LEU A C 3143 O O . LEU A 378 ? 0.3812 0.5161 0.4080 -0.0873 -0.0605 0.0327 377 LEU A O 3144 C CB . LEU A 378 ? 0.3783 0.4662 0.3850 -0.0785 -0.0548 0.0196 377 LEU A CB 3145 C CG . LEU A 378 ? 0.4070 0.4824 0.4074 -0.0704 -0.0518 0.0150 377 LEU A CG 3146 C CD1 . LEU A 378 ? 0.3987 0.4732 0.4047 -0.0607 -0.0449 0.0135 377 LEU A CD1 3147 C CD2 . LEU A 378 ? 0.4335 0.4868 0.4191 -0.0740 -0.0542 0.0103 377 LEU A CD2 3148 N N . GLY A 379 ? 0.4160 0.5447 0.4462 -0.0889 -0.0561 0.0324 378 GLY A N 3149 C CA . GLY A 379 ? 0.4957 0.6436 0.5330 -0.0973 -0.0600 0.0389 378 GLY A CA 3150 C C . GLY A 379 ? 0.5836 0.7221 0.6113 -0.1105 -0.0671 0.0386 378 GLY A C 3151 O O . GLY A 379 ? 0.5966 0.7121 0.6114 -0.1122 -0.0685 0.0331 378 GLY A O 3152 N N . PRO A 380 ? 0.6917 0.8478 0.7251 -0.1201 -0.0718 0.0448 379 PRO A N 3153 C CA . PRO A 380 ? 0.7611 0.9089 0.7855 -0.1345 -0.0790 0.0455 379 PRO A CA 3154 C C . PRO A 380 ? 0.8185 0.9540 0.8305 -0.1392 -0.0849 0.0424 379 PRO A C 3155 O O . PRO A 380 ? 0.8523 0.9942 0.8662 -0.1328 -0.0845 0.0420 379 PRO A O 3156 C CB . PRO A 380 ? 0.7666 0.9421 0.8035 -0.1420 -0.0817 0.0541 379 PRO A CB 3157 C CG . PRO A 380 ? 0.7369 0.9355 0.7870 -0.1314 -0.0778 0.0576 379 PRO A CG 3158 C CD . PRO A 380 ? 0.7101 0.8958 0.7588 -0.1174 -0.0705 0.0520 379 PRO A CD 3159 N N . HIS B 5 ? 0.5157 0.4914 0.5279 -0.0152 0.0770 -0.0583 4 HIS B N 3160 C CA . HIS B 5 ? 0.4843 0.4508 0.4817 -0.0137 0.0694 -0.0509 4 HIS B CA 3161 C C . HIS B 5 ? 0.3965 0.3718 0.4044 -0.0093 0.0589 -0.0483 4 HIS B C 3162 O O . HIS B 5 ? 0.3709 0.3438 0.3755 -0.0064 0.0533 -0.0467 4 HIS B O 3163 C CB . HIS B 5 ? 0.5525 0.5060 0.5324 -0.0135 0.0703 -0.0499 4 HIS B CB 3164 C CG . HIS B 5 ? 0.5619 0.5060 0.5264 -0.0121 0.0633 -0.0441 4 HIS B CG 3165 N ND1 . HIS B 5 ? 0.5903 0.5201 0.5352 -0.0140 0.0660 -0.0419 4 HIS B ND1 3166 C CD2 . HIS B 5 ? 0.5671 0.5141 0.5329 -0.0089 0.0536 -0.0407 4 HIS B CD2 3167 C CE1 . HIS B 5 ? 0.5951 0.5208 0.5312 -0.0112 0.0574 -0.0378 4 HIS B CE1 3168 N NE2 . HIS B 5 ? 0.5783 0.5150 0.5276 -0.0086 0.0503 -0.0372 4 HIS B NE2 3169 N N . PRO B 6 ? 0.3283 0.3130 0.3487 -0.0091 0.0567 -0.0484 5 PRO B N 3170 C CA . PRO B 6 ? 0.2919 0.2830 0.3207 -0.0050 0.0477 -0.0464 5 PRO B CA 3171 C C . PRO B 6 ? 0.2670 0.2528 0.2858 -0.0046 0.0413 -0.0402 5 PRO B C 3172 O O . PRO B 6 ? 0.2648 0.2450 0.2740 -0.0068 0.0429 -0.0375 5 PRO B O 3173 C CB . PRO B 6 ? 0.2947 0.2965 0.3385 -0.0051 0.0478 -0.0489 5 PRO B CB 3174 C CG . PRO B 6 ? 0.3159 0.3144 0.3545 -0.0102 0.0549 -0.0489 5 PRO B CG 3175 C CD . PRO B 6 ? 0.3294 0.3187 0.3565 -0.0127 0.0623 -0.0507 5 PRO B CD 3176 N N . PRO B 7 ? 0.2518 0.2392 0.2728 -0.0018 0.0343 -0.0383 6 PRO B N 3177 C CA . PRO B 7 ? 0.2440 0.2289 0.2586 -0.0018 0.0286 -0.0335 6 PRO B CA 3178 C C . PRO B 7 ? 0.2407 0.2296 0.2590 -0.0026 0.0276 -0.0312 6 PRO B C 3179 O O . PRO B 7 ? 0.2294 0.2246 0.2580 -0.0024 0.0287 -0.0332 6 PRO B O 3180 C CB . PRO B 7 ? 0.2503 0.2361 0.2680 0.0003 0.0230 -0.0331 6 PRO B CB 3181 C CG . PRO B 7 ? 0.2605 0.2487 0.2859 0.0026 0.0246 -0.0373 6 PRO B CG 3182 C CD . PRO B 7 ? 0.2523 0.2437 0.2822 0.0015 0.0314 -0.0411 6 PRO B CD 3183 N N . VAL B 8 ? 0.2337 0.2191 0.2438 -0.0032 0.0251 -0.0277 7 VAL B N 3184 C CA . VAL B 8 ? 0.2322 0.2195 0.2433 -0.0038 0.0247 -0.0255 7 VAL B CA 3185 C C . VAL B 8 ? 0.2178 0.2070 0.2285 -0.0026 0.0184 -0.0224 7 VAL B C 3186 O O . VAL B 8 ? 0.2071 0.1936 0.2115 -0.0021 0.0155 -0.0215 7 VAL B O 3187 C CB . VAL B 8 ? 0.2418 0.2212 0.2411 -0.0054 0.0287 -0.0247 7 VAL B CB 3188 C CG1 . VAL B 8 ? 0.2512 0.2306 0.2490 -0.0055 0.0273 -0.0220 7 VAL B CG1 3189 C CG2 . VAL B 8 ? 0.2629 0.2403 0.2629 -0.0080 0.0366 -0.0282 7 VAL B CG2 3190 N N . VAL B 9 ? 0.2111 0.2052 0.2287 -0.0023 0.0166 -0.0213 8 VAL B N 3191 C CA . VAL B 9 ? 0.2079 0.2040 0.2253 -0.0018 0.0121 -0.0186 8 VAL B CA 3192 C C . VAL B 9 ? 0.2162 0.2121 0.2318 -0.0019 0.0129 -0.0169 8 VAL B C 3193 O O . VAL B 9 ? 0.2063 0.2036 0.2262 -0.0027 0.0154 -0.0175 8 VAL B O 3194 C CB . VAL B 9 ? 0.2054 0.2048 0.2299 -0.0012 0.0092 -0.0186 8 VAL B CB 3195 C CG1 . VAL B 9 ? 0.2047 0.2058 0.2289 -0.0014 0.0061 -0.0163 8 VAL B CG1 3196 C CG2 . VAL B 9 ? 0.2111 0.2082 0.2349 -0.0009 0.0081 -0.0201 8 VAL B CG2 3197 N N . LEU B 10 ? 0.2071 0.2015 0.2166 -0.0010 0.0104 -0.0151 9 LEU B N 3198 C CA . LEU B 10 ? 0.2174 0.2100 0.2230 -0.0003 0.0104 -0.0134 9 LEU B CA 3199 C C . LEU B 10 ? 0.2092 0.2072 0.2202 0.0003 0.0071 -0.0121 9 LEU B C 3200 O O . LEU B 10 ? 0.2111 0.2126 0.2239 0.0007 0.0040 -0.0122 9 LEU B O 3201 C CB . LEU B 10 ? 0.2249 0.2111 0.2189 0.0015 0.0094 -0.0130 9 LEU B CB 3202 C CG . LEU B 10 ? 0.2502 0.2286 0.2353 0.0008 0.0126 -0.0143 9 LEU B CG 3203 C CD1 . LEU B 10 ? 0.2644 0.2353 0.2362 0.0038 0.0096 -0.0139 9 LEU B CD1 3204 C CD2 . LEU B 10 ? 0.2581 0.2315 0.2411 -0.0016 0.0191 -0.0148 9 LEU B CD2 3205 N N . VAL B 11 ? 0.2044 0.2029 0.2176 0.0000 0.0082 -0.0111 10 VAL B N 3206 C CA . VAL B 11 ? 0.1950 0.1974 0.2123 0.0005 0.0057 -0.0099 10 VAL B CA 3207 C C . VAL B 11 ? 0.2005 0.2000 0.2124 0.0020 0.0058 -0.0085 10 VAL B C 3208 O O . VAL B 11 ? 0.1916 0.1870 0.2009 0.0011 0.0086 -0.0083 10 VAL B O 3209 C CB . VAL B 11 ? 0.1993 0.2039 0.2237 -0.0005 0.0060 -0.0102 10 VAL B CB 3210 C CG1 . VAL B 11 ? 0.1946 0.2012 0.2207 -0.0001 0.0038 -0.0089 10 VAL B CG1 3211 C CG2 . VAL B 11 ? 0.2044 0.2099 0.2326 -0.0009 0.0058 -0.0119 10 VAL B CG2 3212 N N . PRO B 12 ? 0.1965 0.1981 0.2068 0.0042 0.0028 -0.0081 11 PRO B N 3213 C CA . PRO B 12 ? 0.2010 0.1990 0.2049 0.0068 0.0021 -0.0072 11 PRO B CA 3214 C C . PRO B 12 ? 0.1962 0.1958 0.2034 0.0065 0.0025 -0.0060 11 PRO B C 3215 O O . PRO B 12 ? 0.1969 0.2006 0.2110 0.0046 0.0026 -0.0060 11 PRO B O 3216 C CB . PRO B 12 ? 0.2036 0.2059 0.2073 0.0097 -0.0018 -0.0085 11 PRO B CB 3217 C CG . PRO B 12 ? 0.1972 0.2072 0.2101 0.0072 -0.0023 -0.0096 11 PRO B CG 3218 C CD . PRO B 12 ? 0.1952 0.2027 0.2095 0.0043 0.0001 -0.0093 11 PRO B CD 3219 N N . GLY B 13 ? 0.2130 0.2076 0.2135 0.0089 0.0023 -0.0051 12 GLY B N 3220 C CA . GLY B 13 ? 0.2121 0.2073 0.2143 0.0091 0.0025 -0.0042 12 GLY B CA 3221 C C . GLY B 13 ? 0.2235 0.2241 0.2278 0.0122 -0.0003 -0.0049 12 GLY B C 3222 O O . GLY B 13 ? 0.2187 0.2250 0.2262 0.0134 -0.0025 -0.0066 12 GLY B O 3223 N N . ASP B 14 ? 0.2413 0.2405 0.2445 0.0134 -0.0001 -0.0041 13 ASP B N 3224 C CA . ASP B 14 ? 0.2289 0.2334 0.2346 0.0165 -0.0020 -0.0053 13 ASP B CA 3225 C C . ASP B 14 ? 0.2487 0.2527 0.2495 0.0218 -0.0053 -0.0070 13 ASP B C 3226 O O . ASP B 14 ? 0.2659 0.2602 0.2562 0.0241 -0.0057 -0.0060 13 ASP B O 3227 C CB . ASP B 14 ? 0.2467 0.2473 0.2499 0.0168 -0.0007 -0.0041 13 ASP B CB 3228 C CG . ASP B 14 ? 0.2536 0.2610 0.2619 0.0183 -0.0011 -0.0056 13 ASP B CG 3229 O OD1 . ASP B 14 ? 0.2478 0.2640 0.2626 0.0188 -0.0021 -0.0081 13 ASP B OD1 3230 O OD2 . ASP B 14 ? 0.2598 0.2636 0.2657 0.0184 0.0000 -0.0045 13 ASP B OD2 3231 N N . LEU B 15 ? 0.2392 0.2530 0.2469 0.0239 -0.0077 -0.0100 14 LEU B N 3232 C CA . LEU B 15 ? 0.2426 0.2581 0.2477 0.0296 -0.0123 -0.0127 14 LEU B CA 3233 C C . LEU B 15 ? 0.2323 0.2442 0.2328 0.0292 -0.0138 -0.0128 14 LEU B C 3234 O O . LEU B 15 ? 0.2363 0.2464 0.2313 0.0345 -0.0182 -0.0148 14 LEU B O 3235 C CB . LEU B 15 ? 0.2651 0.2716 0.2593 0.0359 -0.0145 -0.0122 14 LEU B CB 3236 C CG . LEU B 15 ? 0.2857 0.2924 0.2811 0.0371 -0.0130 -0.0118 14 LEU B CG 3237 C CD1 . LEU B 15 ? 0.3108 0.3062 0.2930 0.0442 -0.0158 -0.0114 14 LEU B CD1 3238 C CD2 . LEU B 15 ? 0.2837 0.3054 0.2926 0.0375 -0.0135 -0.0157 14 LEU B CD2 3239 N N . GLY B 16 ? 0.2248 0.2353 0.2271 0.0236 -0.0105 -0.0111 15 GLY B N 3240 C CA . GLY B 16 ? 0.2208 0.2244 0.2162 0.0228 -0.0103 -0.0104 15 GLY B CA 3241 C C . GLY B 16 ? 0.2184 0.2287 0.2189 0.0217 -0.0123 -0.0129 15 GLY B C 3242 O O . GLY B 16 ? 0.2163 0.2211 0.2114 0.0205 -0.0117 -0.0125 15 GLY B O 3243 N N . ASN B 17 ? 0.2131 0.2350 0.2236 0.0220 -0.0146 -0.0162 16 ASN B N 3244 C CA . ASN B 17 ? 0.2073 0.2355 0.2219 0.0215 -0.0173 -0.0195 16 ASN B CA 3245 C C . ASN B 17 ? 0.2107 0.2513 0.2346 0.0242 -0.0209 -0.0245 16 ASN B C 3246 O O . ASN B 17 ? 0.1996 0.2454 0.2290 0.0248 -0.0199 -0.0251 16 ASN B O 3247 C CB . ASN B 17 ? 0.1993 0.2294 0.2194 0.0150 -0.0139 -0.0190 16 ASN B CB 3248 C CG . ASN B 17 ? 0.1923 0.2267 0.2202 0.0107 -0.0101 -0.0182 16 ASN B CG 3249 O OD1 . ASN B 17 ? 0.1915 0.2202 0.2175 0.0081 -0.0070 -0.0151 16 ASN B OD1 3250 N ND2 . ASN B 17 ? 0.1763 0.2204 0.2127 0.0096 -0.0104 -0.0215 16 ASN B ND2 3251 N N . GLN B 18 ? 0.2134 0.2592 0.2394 0.0256 -0.0251 -0.0285 17 GLN B N 3252 C CA . GLN B 18 ? 0.2250 0.2853 0.2625 0.0277 -0.0288 -0.0348 17 GLN B CA 3253 C C . GLN B 18 ? 0.2094 0.2800 0.2601 0.0208 -0.0235 -0.0365 17 GLN B C 3254 O O . GLN B 18 ? 0.1960 0.2629 0.2468 0.0143 -0.0188 -0.0337 17 GLN B O 3255 C CB . GLN B 18 ? 0.2349 0.2995 0.2735 0.0291 -0.0340 -0.0394 17 GLN B CB 3256 C CG . GLN B 18 ? 0.2715 0.3247 0.2950 0.0365 -0.0399 -0.0386 17 GLN B CG 3257 C CD . GLN B 18 ? 0.2878 0.3446 0.3115 0.0380 -0.0456 -0.0433 17 GLN B CD 3258 O OE1 . GLN B 18 ? 0.2875 0.3585 0.3252 0.0345 -0.0465 -0.0488 17 GLN B OE1 3259 N NE2 . GLN B 18 ? 0.3074 0.3499 0.3144 0.0423 -0.0490 -0.0413 17 GLN B NE2 3260 N N . LEU B 19 ? 0.2165 0.2994 0.2777 0.0224 -0.0245 -0.0415 18 LEU B N 3261 C CA . LEU B 19 ? 0.2179 0.3115 0.2918 0.0155 -0.0194 -0.0449 18 LEU B CA 3262 C C . LEU B 19 ? 0.2189 0.3294 0.3062 0.0170 -0.0231 -0.0539 18 LEU B C 3263 O O . LEU B 19 ? 0.2146 0.3296 0.3024 0.0254 -0.0297 -0.0573 18 LEU B O 3264 C CB . LEU B 19 ? 0.2223 0.3153 0.2973 0.0149 -0.0148 -0.0429 18 LEU B CB 3265 C CG . LEU B 19 ? 0.2296 0.3080 0.2937 0.0131 -0.0110 -0.0352 18 LEU B CG 3266 C CD1 . LEU B 19 ? 0.2431 0.3221 0.3087 0.0131 -0.0074 -0.0345 18 LEU B CD1 3267 C CD2 . LEU B 19 ? 0.2255 0.2985 0.2880 0.0056 -0.0069 -0.0327 18 LEU B CD2 3268 N N . GLU B 20 ? 0.2182 0.3373 0.3157 0.0090 -0.0189 -0.0581 19 GLU B N 3269 C CA . GLU B 20 ? 0.2280 0.3653 0.3410 0.0085 -0.0214 -0.0679 19 GLU B CA 3270 C C . GLU B 20 ? 0.2241 0.3716 0.3493 0.0014 -0.0136 -0.0723 19 GLU B C 3271 O O . GLU B 20 ? 0.2205 0.3592 0.3407 -0.0054 -0.0061 -0.0677 19 GLU B O 3272 C CB . GLU B 20 ? 0.2665 0.4049 0.3807 0.0038 -0.0229 -0.0706 19 GLU B CB 3273 C CG . GLU B 20 ? 0.2995 0.4301 0.4030 0.0111 -0.0311 -0.0685 19 GLU B CG 3274 C CD . GLU B 20 ? 0.3487 0.4778 0.4510 0.0063 -0.0322 -0.0701 19 GLU B CD 3275 O OE1 . GLU B 20 ? 0.3475 0.4789 0.4554 -0.0031 -0.0262 -0.0717 19 GLU B OE1 3276 O OE2 . GLU B 20 ? 0.4051 0.5285 0.4987 0.0123 -0.0391 -0.0697 19 GLU B OE2 3277 N N . ALA B 21 ? 0.2171 0.3830 0.3580 0.0034 -0.0154 -0.0816 20 ALA B N 3278 C CA . ALA B 21 ? 0.2207 0.3976 0.3742 -0.0034 -0.0073 -0.0870 20 ALA B CA 3279 C C . ALA B 21 ? 0.2186 0.4157 0.3909 -0.0079 -0.0075 -0.0988 20 ALA B C 3280 O O . ALA B 21 ? 0.2141 0.4211 0.3928 -0.0016 -0.0163 -0.1044 20 ALA B O 3281 C CB . ALA B 21 ? 0.2241 0.4053 0.3804 0.0033 -0.0073 -0.0878 20 ALA B CB 3282 N N . LYS B 22 ? 0.2416 0.4442 0.4222 -0.0188 0.0025 -0.1029 21 LYS B N 3283 C CA . LYS B 22 ? 0.2622 0.4863 0.4635 -0.0248 0.0048 -0.1157 21 LYS B CA 3284 C C . LYS B 22 ? 0.2603 0.4937 0.4720 -0.0294 0.0143 -0.1208 21 LYS B C 3285 O O . LYS B 22 ? 0.2537 0.4726 0.4539 -0.0344 0.0226 -0.1140 21 LYS B O 3286 C CB . LYS B 22 ? 0.2838 0.5030 0.4831 -0.0364 0.0095 -0.1166 21 LYS B CB 3287 C CG . LYS B 22 ? 0.3050 0.5462 0.5259 -0.0443 0.0125 -0.1304 21 LYS B CG 3288 C CD . LYS B 22 ? 0.3394 0.5730 0.5559 -0.0555 0.0165 -0.1307 21 LYS B CD 3289 C CE . LYS B 22 ? 0.3789 0.6353 0.6177 -0.0635 0.0190 -0.1453 21 LYS B CE 3290 N NZ . LYS B 22 ? 0.4117 0.6607 0.6454 -0.0723 0.0200 -0.1459 21 LYS B NZ 3291 N N . LEU B 23 ? 0.2556 0.5133 0.4890 -0.0278 0.0130 -0.1333 22 LEU B N 3292 C CA . LEU B 23 ? 0.2612 0.5300 0.5060 -0.0298 0.0209 -0.1391 22 LEU B CA 3293 C C . LEU B 23 ? 0.2728 0.5609 0.5383 -0.0420 0.0301 -0.1522 22 LEU B C 3294 O O . LEU B 23 ? 0.2857 0.5900 0.5660 -0.0433 0.0254 -0.1616 22 LEU B O 3295 C CB . LEU B 23 ? 0.2507 0.5333 0.5051 -0.0151 0.0114 -0.1437 22 LEU B CB 3296 C CG . LEU B 23 ? 0.2530 0.5191 0.4890 -0.0019 0.0009 -0.1332 22 LEU B CG 3297 C CD1 . LEU B 23 ? 0.2509 0.5312 0.4970 0.0121 -0.0080 -0.1398 22 LEU B CD1 3298 C CD2 . LEU B 23 ? 0.2448 0.4872 0.4601 -0.0044 0.0075 -0.1203 22 LEU B CD2 3299 N N . ASP B 24 ? 0.2838 0.5692 0.5492 -0.0510 0.0433 -0.1531 23 ASP B N 3300 C CA . ASP B 24 ? 0.2929 0.5992 0.5802 -0.0616 0.0538 -0.1672 23 ASP B CA 3301 C C . ASP B 24 ? 0.2908 0.5938 0.5757 -0.0632 0.0641 -0.1663 23 ASP B C 3302 O O . ASP B 24 ? 0.2998 0.5896 0.5750 -0.0756 0.0775 -0.1640 23 ASP B O 3303 C CB . ASP B 24 ? 0.3080 0.6071 0.5919 -0.0781 0.0633 -0.1687 23 ASP B CB 3304 C CG . ASP B 24 ? 0.3303 0.6527 0.6385 -0.0900 0.0738 -0.1849 23 ASP B CG 3305 O OD1 . ASP B 24 ? 0.3246 0.6720 0.6552 -0.0847 0.0727 -0.1960 23 ASP B OD1 3306 O OD2 . ASP B 24 ? 0.3629 0.6785 0.6679 -0.1047 0.0834 -0.1870 23 ASP B OD2 3307 N N . LYS B 25 ? 0.2795 0.5922 0.5710 -0.0500 0.0572 -0.1678 24 LYS B N 3308 C CA . LYS B 25 ? 0.2802 0.5855 0.5647 -0.0483 0.0642 -0.1642 24 LYS B CA 3309 C C . LYS B 25 ? 0.3016 0.6296 0.6089 -0.0548 0.0751 -0.1787 24 LYS B C 3310 O O . LYS B 25 ? 0.2791 0.6347 0.6119 -0.0523 0.0711 -0.1923 24 LYS B O 3311 C CB . LYS B 25 ? 0.2684 0.5723 0.5482 -0.0307 0.0517 -0.1592 24 LYS B CB 3312 C CG . LYS B 25 ? 0.2669 0.5484 0.5242 -0.0238 0.0416 -0.1453 24 LYS B CG 3313 C CD . LYS B 25 ? 0.2750 0.5600 0.5320 -0.0065 0.0275 -0.1440 24 LYS B CD 3314 C CE . LYS B 25 ? 0.2747 0.5540 0.5256 0.0006 0.0292 -0.1408 24 LYS B CE 3315 N NZ . LYS B 25 ? 0.2938 0.5452 0.5192 -0.0011 0.0324 -0.1263 24 LYS B NZ 3316 N N . PRO B 26 ? 0.3257 0.6424 0.6240 -0.0628 0.0887 -0.1764 25 PRO B N 3317 C CA . PRO B 26 ? 0.3395 0.6776 0.6591 -0.0688 0.1002 -0.1904 25 PRO B CA 3318 C C . PRO B 26 ? 0.3395 0.6978 0.6757 -0.0538 0.0928 -0.1974 25 PRO B C 3319 O O . PRO B 26 ? 0.2963 0.6829 0.6598 -0.0549 0.0964 -0.2130 25 PRO B O 3320 C CB . PRO B 26 ? 0.3587 0.6729 0.6575 -0.0800 0.1157 -0.1835 25 PRO B CB 3321 C CG . PRO B 26 ? 0.3619 0.6457 0.6309 -0.0742 0.1089 -0.1659 25 PRO B CG 3322 C CD . PRO B 26 ? 0.3402 0.6243 0.6085 -0.0678 0.0949 -0.1619 25 PRO B CD 3323 N N . THR B 27 ? 0.3330 0.6769 0.6532 -0.0401 0.0828 -0.1865 26 THR B N 3324 C CA . THR B 27 ? 0.3549 0.7132 0.6863 -0.0245 0.0747 -0.1915 26 THR B CA 3325 C C . THR B 27 ? 0.3547 0.7007 0.6715 -0.0089 0.0577 -0.1812 26 THR B C 3326 O O . THR B 27 ? 0.3428 0.6650 0.6371 -0.0108 0.0549 -0.1680 26 THR B O 3327 C CB . THR B 27 ? 0.3789 0.7284 0.7023 -0.0252 0.0850 -0.1893 26 THR B CB 3328 O OG1 . THR B 27 ? 0.4143 0.7310 0.7065 -0.0260 0.0857 -0.1724 26 THR B OG1 3329 C CG2 . THR B 27 ? 0.3933 0.7523 0.7284 -0.0410 0.1033 -0.1992 26 THR B CG2 3330 N N . VAL B 28 ? 0.3399 0.7011 0.6686 0.0064 0.0469 -0.1875 27 VAL B N 3331 C CA . VAL B 28 ? 0.3579 0.7047 0.6701 0.0219 0.0318 -0.1780 27 VAL B CA 3332 C C . VAL B 28 ? 0.3760 0.7212 0.6852 0.0341 0.0297 -0.1778 27 VAL B C 3333 O O . VAL B 28 ? 0.3797 0.7426 0.7064 0.0338 0.0365 -0.1885 27 VAL B O 3334 C CB . VAL B 28 ? 0.3526 0.7140 0.6762 0.0317 0.0167 -0.1844 27 VAL B CB 3335 C CG1 . VAL B 28 ? 0.3587 0.7134 0.6769 0.0217 0.0164 -0.1803 27 VAL B CG1 3336 C CG2 . VAL B 28 ? 0.3365 0.7323 0.6924 0.0359 0.0149 -0.2033 27 VAL B CG2 3337 N N . VAL B 29 ? 0.3828 0.7065 0.6698 0.0445 0.0207 -0.1661 28 VAL B N 3338 C CA . VAL B 29 ? 0.3889 0.7070 0.6694 0.0561 0.0183 -0.1646 28 VAL B CA 3339 C C . VAL B 29 ? 0.4050 0.7418 0.7006 0.0730 0.0059 -0.1756 28 VAL B C 3340 O O . VAL B 29 ? 0.4412 0.7812 0.7394 0.0814 0.0062 -0.1793 28 VAL B O 3341 C CB . VAL B 29 ? 0.4016 0.6876 0.6512 0.0594 0.0150 -0.1480 28 VAL B CB 3342 C CG1 . VAL B 29 ? 0.4018 0.6700 0.6371 0.0442 0.0269 -0.1383 28 VAL B CG1 3343 C CG2 . VAL B 29 ? 0.4125 0.6885 0.6504 0.0679 0.0011 -0.1421 28 VAL B CG2 3344 N N . HIS B 30 ? 0.4066 0.7537 0.7102 0.0786 -0.0055 -0.1804 29 HIS B N 3345 C CA . HIS B 30 ? 0.4251 0.7919 0.7448 0.0947 -0.0185 -0.1926 29 HIS B CA 3346 C C . HIS B 30 ? 0.4404 0.8322 0.7837 0.0906 -0.0220 -0.2046 29 HIS B C 3347 O O . HIS B 30 ? 0.4208 0.8060 0.7588 0.0794 -0.0194 -0.1994 29 HIS B O 3348 C CB . HIS B 30 ? 0.4295 0.7762 0.7267 0.1108 -0.0343 -0.1844 29 HIS B CB 3349 C CG . HIS B 30 ? 0.4438 0.7635 0.7154 0.1151 -0.0325 -0.1720 29 HIS B CG 3350 N ND1 . HIS B 30 ? 0.4493 0.7719 0.7244 0.1193 -0.0271 -0.1753 29 HIS B ND1 3351 C CD2 . HIS B 30 ? 0.4392 0.7287 0.6816 0.1157 -0.0352 -0.1569 29 HIS B CD2 3352 C CE1 . HIS B 30 ? 0.4617 0.7565 0.7104 0.1220 -0.0268 -0.1625 29 HIS B CE1 3353 N NE2 . HIS B 30 ? 0.4543 0.7292 0.6834 0.1196 -0.0314 -0.1514 29 HIS B NE2 3354 N N . TYR B 31 ? 0.4613 0.8815 0.8304 0.1003 -0.0285 -0.2210 30 TYR B N 3355 C CA . TYR B 31 ? 0.4678 0.9149 0.8621 0.0981 -0.0335 -0.2347 30 TYR B CA 3356 C C . TYR B 31 ? 0.4621 0.8965 0.8415 0.1035 -0.0476 -0.2285 30 TYR B C 3357 O O . TYR B 31 ? 0.4651 0.9110 0.8560 0.0952 -0.0480 -0.2336 30 TYR B O 3358 C CB . TYR B 31 ? 0.5102 0.9903 0.9347 0.1109 -0.0410 -0.2542 30 TYR B CB 3359 C CG . TYR B 31 ? 0.5175 1.0239 0.9703 0.1017 -0.0261 -0.2677 30 TYR B CG 3360 C CD1 . TYR B 31 ? 0.5081 1.0361 0.9842 0.0849 -0.0155 -0.2779 30 TYR B CD1 3361 C CD2 . TYR B 31 ? 0.5453 1.0556 1.0020 0.1101 -0.0228 -0.2715 30 TYR B CD2 3362 C CE1 . TYR B 31 ? 0.5136 1.0656 1.0155 0.0756 -0.0007 -0.2912 30 TYR B CE1 3363 C CE2 . TYR B 31 ? 0.5325 1.0674 1.0155 0.1016 -0.0085 -0.2848 30 TYR B CE2 3364 C CZ . TYR B 31 ? 0.5171 1.0727 1.0225 0.0840 0.0027 -0.2946 30 TYR B CZ 3365 O OH . TYR B 31 ? 0.5340 1.1131 1.0647 0.0746 0.0183 -0.3081 30 TYR B OH 3366 N N . LEU B 32 ? 0.4829 0.8918 0.8352 0.1164 -0.0582 -0.2172 31 LEU B N 3367 C CA . LEU B 32 ? 0.4993 0.8933 0.8346 0.1214 -0.0707 -0.2107 31 LEU B CA 3368 C C . LEU B 32 ? 0.4646 0.8372 0.7814 0.1059 -0.0623 -0.1967 31 LEU B C 3369 O O . LEU B 32 ? 0.4686 0.8306 0.7734 0.1075 -0.0706 -0.1921 31 LEU B O 3370 C CB . LEU B 32 ? 0.5358 0.9094 0.8478 0.1408 -0.0851 -0.2048 31 LEU B CB 3371 C CG . LEU B 32 ? 0.5741 0.9214 0.8617 0.1441 -0.0805 -0.1921 31 LEU B CG 3372 C CD1 . LEU B 32 ? 0.5912 0.9103 0.8536 0.1320 -0.0728 -0.1750 31 LEU B CD1 3373 C CD2 . LEU B 32 ? 0.6001 0.9342 0.8714 0.1649 -0.0956 -0.1917 31 LEU B CD2 3374 N N . CYS B 33 ? 0.4330 0.7989 0.7472 0.0915 -0.0464 -0.1904 32 CYS B N 3375 C CA . CYS B 33 ? 0.4280 0.7748 0.7262 0.0770 -0.0384 -0.1783 32 CYS B CA 3376 C C . CYS B 33 ? 0.4101 0.7753 0.7275 0.0638 -0.0334 -0.1868 32 CYS B C 3377 O O . CYS B 33 ? 0.4209 0.8101 0.7631 0.0575 -0.0260 -0.1993 32 CYS B O 3378 C CB . CYS B 33 ? 0.4157 0.7471 0.7023 0.0671 -0.0239 -0.1688 32 CYS B CB 3379 S SG . CYS B 33 ? 0.4481 0.7578 0.7132 0.0785 -0.0256 -0.1590 32 CYS B SG 3380 N N . SER B 34 ? 0.3955 0.7491 0.7017 0.0587 -0.0363 -0.1805 33 SER B N 3381 C CA . SER B 34 ? 0.3827 0.7499 0.7040 0.0446 -0.0304 -0.1872 33 SER B CA 3382 C C . SER B 34 ? 0.3568 0.7182 0.6771 0.0272 -0.0123 -0.1834 33 SER B C 3383 O O . SER B 34 ? 0.3386 0.6755 0.6368 0.0238 -0.0067 -0.1698 33 SER B O 3384 C CB . SER B 34 ? 0.4068 0.7602 0.7136 0.0438 -0.0378 -0.1806 33 SER B CB 3385 O OG . SER B 34 ? 0.4379 0.7961 0.7449 0.0589 -0.0544 -0.1852 33 SER B OG 3386 N N . LYS B 35 ? 0.3297 0.7132 0.6734 0.0162 -0.0035 -0.1958 34 LYS B N 3387 C CA . LYS B 35 ? 0.3258 0.7032 0.6679 -0.0015 0.0138 -0.1937 34 LYS B CA 3388 C C . LYS B 35 ? 0.3166 0.6806 0.6477 -0.0133 0.0168 -0.1877 34 LYS B C 3389 O O . LYS B 35 ? 0.3223 0.6664 0.6372 -0.0242 0.0276 -0.1785 34 LYS B O 3390 C CB . LYS B 35 ? 0.3408 0.7472 0.7125 -0.0099 0.0234 -0.2107 34 LYS B CB 3391 C CG . LYS B 35 ? 0.3515 0.7611 0.7273 -0.0100 0.0334 -0.2129 34 LYS B CG 3392 C CD . LYS B 35 ? 0.3516 0.7893 0.7566 -0.0209 0.0451 -0.2301 34 LYS B CD 3393 C CE . LYS B 35 ? 0.3708 0.8018 0.7715 -0.0280 0.0607 -0.2286 34 LYS B CE 3394 N NZ . LYS B 35 ? 0.3730 0.8327 0.8033 -0.0377 0.0727 -0.2467 34 LYS B NZ 3395 N N . LYS B 36 ? 0.3103 0.6847 0.6498 -0.0107 0.0070 -0.1935 35 LYS B N 3396 C CA . LYS B 36 ? 0.3283 0.6953 0.6627 -0.0227 0.0103 -0.1915 35 LYS B CA 3397 C C . LYS B 36 ? 0.3342 0.6965 0.6609 -0.0129 -0.0051 -0.1885 35 LYS B C 3398 O O . LYS B 36 ? 0.3533 0.7314 0.6915 -0.0004 -0.0177 -0.1964 35 LYS B O 3399 C CB . LYS B 36 ? 0.3557 0.7479 0.7167 -0.0353 0.0185 -0.2075 35 LYS B CB 3400 C CG . LYS B 36 ? 0.3805 0.7636 0.7359 -0.0508 0.0255 -0.2062 35 LYS B CG 3401 C CD . LYS B 36 ? 0.4189 0.8280 0.8016 -0.0637 0.0346 -0.2233 35 LYS B CD 3402 C CE . LYS B 36 ? 0.4420 0.8444 0.8210 -0.0778 0.0392 -0.2241 35 LYS B CE 3403 N NZ . LYS B 36 ? 0.4734 0.8443 0.8256 -0.0889 0.0511 -0.2104 35 LYS B NZ 3404 N N . THR B 37 ? 0.3095 0.6494 0.6158 -0.0182 -0.0043 -0.1774 36 THR B N 3405 C CA . THR B 37 ? 0.3241 0.6589 0.6228 -0.0117 -0.0170 -0.1753 36 THR B CA 3406 C C . THR B 37 ? 0.3535 0.6844 0.6513 -0.0259 -0.0110 -0.1761 36 THR B C 3407 O O . THR B 37 ? 0.3457 0.6640 0.6354 -0.0384 0.0016 -0.1708 36 THR B O 3408 C CB . THR B 37 ? 0.3012 0.6092 0.5722 -0.0019 -0.0234 -0.1598 36 THR B CB 3409 O OG1 . THR B 37 ? 0.2805 0.5660 0.5336 -0.0116 -0.0129 -0.1479 36 THR B OG1 3410 C CG2 . THR B 37 ? 0.2979 0.6068 0.5672 0.0115 -0.0287 -0.1585 36 THR B CG2 3411 N N . GLU B 38 ? 0.4074 0.7475 0.7120 -0.0237 -0.0206 -0.1827 37 GLU B N 3412 C CA . GLU B 38 ? 0.4550 0.7909 0.7582 -0.0367 -0.0160 -0.1839 37 GLU B CA 3413 C C . GLU B 38 ? 0.4199 0.7261 0.6952 -0.0372 -0.0165 -0.1687 37 GLU B C 3414 O O . GLU B 38 ? 0.4350 0.7307 0.7036 -0.0492 -0.0090 -0.1663 37 GLU B O 3415 C CB . GLU B 38 ? 0.5016 0.8593 0.8233 -0.0344 -0.0262 -0.1976 37 GLU B CB 3416 C CG . GLU B 38 ? 0.5769 0.9674 0.9298 -0.0349 -0.0255 -0.2148 37 GLU B CG 3417 C CD . GLU B 38 ? 0.6493 1.0468 1.0142 -0.0521 -0.0074 -0.2201 37 GLU B CD 3418 O OE1 . GLU B 38 ? 0.7276 1.1116 1.0833 -0.0665 0.0023 -0.2165 37 GLU B OE1 3419 O OE2 . GLU B 38 ? 0.6883 1.1032 1.0703 -0.0513 -0.0025 -0.2280 37 GLU B OE2 3420 N N . SER B 39 ? 0.3956 0.6875 0.6542 -0.0244 -0.0246 -0.1588 38 SER B N 3421 C CA . SER B 39 ? 0.3812 0.6458 0.6143 -0.0244 -0.0246 -0.1448 38 SER B CA 3422 C C . SER B 39 ? 0.3422 0.5913 0.5597 -0.0159 -0.0249 -0.1336 38 SER B C 3423 O O . SER B 39 ? 0.3256 0.5836 0.5505 -0.0101 -0.0252 -0.1362 38 SER B O 3424 C CB . SER B 39 ? 0.4215 0.6831 0.6483 -0.0180 -0.0364 -0.1453 38 SER B CB 3425 O OG . SER B 39 ? 0.4556 0.7253 0.6852 -0.0033 -0.0486 -0.1488 38 SER B OG 3426 N N . TYR B 40 ? 0.3249 0.5508 0.5211 -0.0157 -0.0244 -0.1216 39 TYR B N 3427 C CA . TYR B 40 ? 0.3106 0.5206 0.4909 -0.0082 -0.0250 -0.1109 39 TYR B CA 3428 C C . TYR B 40 ? 0.3206 0.5314 0.4967 0.0061 -0.0374 -0.1113 39 TYR B C 3429 O O . TYR B 40 ? 0.3279 0.5431 0.5052 0.0102 -0.0460 -0.1159 39 TYR B O 3430 C CB . TYR B 40 ? 0.3058 0.4926 0.4665 -0.0125 -0.0209 -0.0994 39 TYR B CB 3431 C CG . TYR B 40 ? 0.3048 0.4852 0.4643 -0.0243 -0.0090 -0.0968 39 TYR B CG 3432 C CD1 . TYR B 40 ? 0.3251 0.5083 0.4899 -0.0355 -0.0034 -0.1016 39 TYR B CD1 3433 C CD2 . TYR B 40 ? 0.2964 0.4668 0.4481 -0.0243 -0.0033 -0.0899 39 TYR B CD2 3434 C CE1 . TYR B 40 ? 0.3256 0.4997 0.4860 -0.0461 0.0075 -0.0991 39 TYR B CE1 3435 C CE2 . TYR B 40 ? 0.3045 0.4669 0.4526 -0.0344 0.0070 -0.0876 39 TYR B CE2 3436 C CZ . TYR B 40 ? 0.3265 0.4900 0.4782 -0.0451 0.0124 -0.0921 39 TYR B CZ 3437 O OH . TYR B 40 ? 0.3508 0.5030 0.4955 -0.0548 0.0226 -0.0895 39 TYR B OH 3438 N N . PHE B 41 ? 0.2941 0.4999 0.4644 0.0139 -0.0384 -0.1070 40 PHE B N 3439 C CA . PHE B 41 ? 0.2861 0.4868 0.4470 0.0277 -0.0492 -0.1055 40 PHE B CA 3440 C C . PHE B 41 ? 0.2710 0.4501 0.4121 0.0303 -0.0463 -0.0934 40 PHE B C 3441 O O . PHE B 41 ? 0.2464 0.4196 0.3857 0.0232 -0.0370 -0.0882 40 PHE B O 3442 C CB . PHE B 41 ? 0.2863 0.5055 0.4623 0.0363 -0.0546 -0.1152 40 PHE B CB 3443 C CG . PHE B 41 ? 0.2894 0.5117 0.4706 0.0350 -0.0469 -0.1141 40 PHE B CG 3444 C CD1 . PHE B 41 ? 0.2875 0.5233 0.4850 0.0243 -0.0368 -0.1196 40 PHE B CD1 3445 C CD2 . PHE B 41 ? 0.2856 0.4963 0.4543 0.0444 -0.0495 -0.1082 40 PHE B CD2 3446 C CE1 . PHE B 41 ? 0.2832 0.5207 0.4842 0.0231 -0.0294 -0.1187 40 PHE B CE1 3447 C CE2 . PHE B 41 ? 0.2880 0.5008 0.4607 0.0432 -0.0425 -0.1072 40 PHE B CE2 3448 C CZ . PHE B 41 ? 0.2897 0.5160 0.4785 0.0328 -0.0326 -0.1126 40 PHE B CZ 3449 N N . THR B 42 ? 0.2686 0.4351 0.3944 0.0404 -0.0543 -0.0893 41 THR B N 3450 C CA . THR B 42 ? 0.2662 0.4120 0.3731 0.0425 -0.0515 -0.0785 41 THR B CA 3451 C C . THR B 42 ? 0.2672 0.4152 0.3765 0.0470 -0.0496 -0.0782 41 THR B C 3452 O O . THR B 42 ? 0.2768 0.4313 0.3891 0.0569 -0.0567 -0.0834 41 THR B O 3453 C CB . THR B 42 ? 0.2777 0.4073 0.3654 0.0510 -0.0595 -0.0746 41 THR B CB 3454 O OG1 . THR B 42 ? 0.2685 0.3956 0.3537 0.0462 -0.0604 -0.0748 41 THR B OG1 3455 C CG2 . THR B 42 ? 0.2830 0.3920 0.3523 0.0521 -0.0557 -0.0644 41 THR B CG2 3456 N N . ILE B 43 ? 0.2499 0.3918 0.3573 0.0402 -0.0405 -0.0724 42 ILE B N 3457 C CA . ILE B 43 ? 0.2502 0.3918 0.3579 0.0436 -0.0378 -0.0712 42 ILE B CA 3458 C C . ILE B 43 ? 0.2479 0.3688 0.3358 0.0482 -0.0383 -0.0620 42 ILE B C 3459 O O . ILE B 43 ? 0.2551 0.3733 0.3395 0.0546 -0.0394 -0.0615 42 ILE B O 3460 C CB . ILE B 43 ? 0.2539 0.4035 0.3730 0.0337 -0.0276 -0.0724 42 ILE B CB 3461 C CG1 . ILE B 43 ? 0.2735 0.4287 0.3976 0.0383 -0.0260 -0.0748 42 ILE B CG1 3462 C CG2 . ILE B 43 ? 0.2447 0.3793 0.3533 0.0251 -0.0204 -0.0637 42 ILE B CG2 3463 C CD1 . ILE B 43 ? 0.2905 0.4560 0.4273 0.0293 -0.0164 -0.0785 42 ILE B CD1 3464 N N . TRP B 44 ? 0.2379 0.3444 0.3129 0.0452 -0.0376 -0.0554 43 TRP B N 3465 C CA . TRP B 44 ? 0.2407 0.3276 0.2966 0.0495 -0.0387 -0.0480 43 TRP B CA 3466 C C . TRP B 44 ? 0.2482 0.3253 0.2932 0.0496 -0.0420 -0.0458 43 TRP B C 3467 O O . TRP B 44 ? 0.2275 0.3066 0.2765 0.0422 -0.0387 -0.0452 43 TRP B O 3468 C CB . TRP B 44 ? 0.2438 0.3219 0.2956 0.0427 -0.0306 -0.0412 43 TRP B CB 3469 C CG . TRP B 44 ? 0.2484 0.3082 0.2829 0.0455 -0.0305 -0.0346 43 TRP B CG 3470 C CD1 . TRP B 44 ? 0.2617 0.3090 0.2858 0.0418 -0.0282 -0.0293 43 TRP B CD1 3471 C CD2 . TRP B 44 ? 0.2608 0.3122 0.2860 0.0524 -0.0325 -0.0332 43 TRP B CD2 3472 N NE1 . TRP B 44 ? 0.2685 0.3006 0.2780 0.0451 -0.0280 -0.0249 43 TRP B NE1 3473 C CE2 . TRP B 44 ? 0.2792 0.3125 0.2880 0.0517 -0.0308 -0.0269 43 TRP B CE2 3474 C CE3 . TRP B 44 ? 0.2823 0.3396 0.3112 0.0593 -0.0354 -0.0371 43 TRP B CE3 3475 C CZ2 . TRP B 44 ? 0.2970 0.3167 0.2923 0.0567 -0.0314 -0.0241 43 TRP B CZ2 3476 C CZ3 . TRP B 44 ? 0.2884 0.3318 0.3033 0.0653 -0.0367 -0.0340 43 TRP B CZ3 3477 C CH2 . TRP B 44 ? 0.3004 0.3246 0.2981 0.0636 -0.0346 -0.0274 43 TRP B CH2 3478 N N . LEU B 45 ? 0.2765 0.3414 0.3064 0.0577 -0.0481 -0.0447 44 LEU B N 3479 C CA . LEU B 45 ? 0.3062 0.3651 0.3276 0.0676 -0.0530 -0.0454 44 LEU B CA 3480 C C . LEU B 45 ? 0.3310 0.3988 0.3561 0.0767 -0.0631 -0.0533 44 LEU B C 3481 O O . LEU B 45 ? 0.3161 0.3794 0.3341 0.0789 -0.0682 -0.0545 44 LEU B O 3482 C CB . LEU B 45 ? 0.3357 0.3707 0.3338 0.0700 -0.0524 -0.0384 44 LEU B CB 3483 C CG . LEU B 45 ? 0.3661 0.3882 0.3486 0.0807 -0.0579 -0.0383 44 LEU B CG 3484 C CD1 . LEU B 45 ? 0.3561 0.3847 0.3466 0.0824 -0.0557 -0.0391 44 LEU B CD1 3485 C CD2 . LEU B 45 ? 0.3817 0.3788 0.3404 0.0802 -0.0553 -0.0314 44 LEU B CD2 3486 N N . ASN B 46 ? 0.3585 0.4391 0.3949 0.0825 -0.0661 -0.0592 45 ASN B N 3487 C CA . ASN B 46 ? 0.3942 0.4832 0.4339 0.0935 -0.0771 -0.0675 45 ASN B CA 3488 C C . ASN B 46 ? 0.4428 0.5281 0.4776 0.1035 -0.0805 -0.0686 45 ASN B C 3489 O O . ASN B 46 ? 0.3980 0.4956 0.4469 0.1018 -0.0760 -0.0710 45 ASN B O 3490 C CB . ASN B 46 ? 0.4070 0.5223 0.4721 0.0900 -0.0781 -0.0770 45 ASN B CB 3491 C CG . ASN B 46 ? 0.4446 0.5716 0.5162 0.1021 -0.0902 -0.0872 45 ASN B CG 3492 O OD1 . ASN B 46 ? 0.4813 0.5967 0.5384 0.1142 -0.0980 -0.0871 45 ASN B OD1 3493 N ND2 . ASN B 46 ? 0.4404 0.5897 0.5331 0.0990 -0.0920 -0.0962 45 ASN B ND2 3494 N N . LEU B 47 ? 0.5350 0.6015 0.5482 0.1139 -0.0881 -0.0669 46 LEU B N 3495 C CA . LEU B 47 ? 0.6089 0.6648 0.6107 0.1240 -0.0914 -0.0663 46 LEU B CA 3496 C C . LEU B 47 ? 0.5915 0.6688 0.6123 0.1326 -0.0976 -0.0767 46 LEU B C 3497 O O . LEU B 47 ? 0.6284 0.7050 0.6494 0.1374 -0.0966 -0.0771 46 LEU B O 3498 C CB . LEU B 47 ? 0.6739 0.7030 0.6461 0.1335 -0.0989 -0.0630 46 LEU B CB 3499 C CG . LEU B 47 ? 0.7098 0.7149 0.6606 0.1257 -0.0919 -0.0531 46 LEU B CG 3500 C CD1 . LEU B 47 ? 0.7737 0.7527 0.6947 0.1355 -0.0997 -0.0514 46 LEU B CD1 3501 C CD2 . LEU B 47 ? 0.7024 0.6990 0.6495 0.1192 -0.0818 -0.0462 46 LEU B CD2 3502 N N . GLU B 48 ? 0.6052 0.7026 0.6431 0.1343 -0.1037 -0.0857 47 GLU B N 3503 C CA . GLU B 48 ? 0.6417 0.7620 0.7001 0.1428 -0.1101 -0.0972 47 GLU B CA 3504 C C . GLU B 48 ? 0.5870 0.7277 0.6692 0.1344 -0.1000 -0.1001 47 GLU B C 3505 O O . GLU B 48 ? 0.5553 0.7117 0.6520 0.1415 -0.1029 -0.1084 47 GLU B O 3506 C CB . GLU B 48 ? 0.6930 0.8303 0.7644 0.1460 -0.1194 -0.1070 47 GLU B CB 3507 C CG . GLU B 48 ? 0.7858 0.9025 0.8323 0.1577 -0.1317 -0.1059 47 GLU B CG 3508 C CD . GLU B 48 ? 0.8407 0.9735 0.8990 0.1618 -0.1421 -0.1160 47 GLU B CD 3509 O OE1 . GLU B 48 ? 0.8886 1.0431 0.9700 0.1509 -0.1372 -0.1206 47 GLU B OE1 3510 O OE2 . GLU B 48 ? 0.9491 1.0711 0.9920 0.1758 -0.1555 -0.1194 47 GLU B OE2 3511 N N . LEU B 49 ? 0.5103 0.6494 0.5951 0.1200 -0.0880 -0.0933 48 LEU B N 3512 C CA . LEU B 49 ? 0.4512 0.6055 0.5545 0.1113 -0.0776 -0.0951 48 LEU B CA 3513 C C . LEU B 49 ? 0.4382 0.5789 0.5301 0.1136 -0.0730 -0.0890 48 LEU B C 3514 O O . LEU B 49 ? 0.3986 0.5500 0.5034 0.1085 -0.0651 -0.0908 48 LEU B O 3515 C CB . LEU B 49 ? 0.4416 0.5980 0.5505 0.0955 -0.0676 -0.0906 48 LEU B CB 3516 C CG . LEU B 49 ? 0.4385 0.6057 0.5568 0.0910 -0.0706 -0.0954 48 LEU B CG 3517 C CD1 . LEU B 49 ? 0.4252 0.5908 0.5460 0.0759 -0.0599 -0.0901 48 LEU B CD1 3518 C CD2 . LEU B 49 ? 0.4516 0.6462 0.5946 0.0944 -0.0753 -0.1092 48 LEU B CD2 3519 N N . LEU B 50 ? 0.4636 0.5796 0.5303 0.1205 -0.0771 -0.0819 49 LEU B N 3520 C CA . LEU B 50 ? 0.4936 0.5931 0.5464 0.1217 -0.0725 -0.0753 49 LEU B CA 3521 C C . LEU B 50 ? 0.5051 0.6010 0.5519 0.1368 -0.0804 -0.0798 49 LEU B C 3522 O O . LEU B 50 ? 0.5278 0.6091 0.5619 0.1389 -0.0774 -0.0749 49 LEU B O 3523 C CB . LEU B 50 ? 0.5141 0.5871 0.5425 0.1173 -0.0697 -0.0641 49 LEU B CB 3524 C CG . LEU B 50 ? 0.5166 0.5915 0.5493 0.1040 -0.0631 -0.0599 49 LEU B CG 3525 C CD1 . LEU B 50 ? 0.5127 0.5629 0.5226 0.1006 -0.0608 -0.0503 49 LEU B CD1 3526 C CD2 . LEU B 50 ? 0.4895 0.5771 0.5385 0.0933 -0.0531 -0.0596 49 LEU B CD2 3527 N N . LEU B 51 ? 0.5330 0.6422 0.5889 0.1473 -0.0907 -0.0895 50 LEU B N 3528 C CA . LEU B 51 ? 0.5669 0.6737 0.6178 0.1633 -0.0996 -0.0950 50 LEU B CA 3529 C C . LEU B 51 ? 0.5520 0.6750 0.6209 0.1630 -0.0935 -0.0999 50 LEU B C 3530 O O . LEU B 51 ? 0.5106 0.6521 0.6001 0.1514 -0.0842 -0.1020 50 LEU B O 3531 C CB . LEU B 51 ? 0.5916 0.7118 0.6511 0.1746 -0.1128 -0.1055 50 LEU B CB 3532 C CG . LEU B 51 ? 0.6461 0.7488 0.6855 0.1773 -0.1205 -0.1018 50 LEU B CG 3533 C CD1 . LEU B 51 ? 0.6390 0.7618 0.6940 0.1845 -0.1319 -0.1134 50 LEU B CD1 3534 C CD2 . LEU B 51 ? 0.6818 0.7506 0.6864 0.1880 -0.1263 -0.0950 50 LEU B CD2 3535 N N . PRO B 52 ? 0.5609 0.6751 0.6202 0.1756 -0.0984 -0.1017 51 PRO B N 3536 C CA . PRO B 52 ? 0.5325 0.6617 0.6083 0.1760 -0.0926 -0.1069 51 PRO B CA 3537 C C . PRO B 52 ? 0.4862 0.6513 0.5967 0.1727 -0.0909 -0.1193 51 PRO B C 3538 O O . PRO B 52 ? 0.4844 0.6636 0.6058 0.1780 -0.0997 -0.1274 51 PRO B O 3539 C CB . PRO B 52 ? 0.5870 0.7040 0.6487 0.1942 -0.1026 -0.1100 51 PRO B CB 3540 C CG . PRO B 52 ? 0.6158 0.7004 0.6444 0.1987 -0.1087 -0.1010 51 PRO B CG 3541 C CD . PRO B 52 ? 0.6051 0.6931 0.6362 0.1898 -0.1088 -0.0988 51 PRO B CD 3542 N N . VAL B 53 ? 0.4617 0.6402 0.5882 0.1635 -0.0793 -0.1209 52 VAL B N 3543 C CA . VAL B 53 ? 0.4648 0.6760 0.6238 0.1573 -0.0741 -0.1325 52 VAL B CA 3544 C C . VAL B 53 ? 0.4402 0.6605 0.6092 0.1428 -0.0689 -0.1314 52 VAL B C 3545 O O . VAL B 53 ? 0.4165 0.6455 0.5968 0.1291 -0.0567 -0.1308 52 VAL B O 3546 C CB . VAL B 53 ? 0.4935 0.7276 0.6716 0.1718 -0.0849 -0.1476 52 VAL B CB 3547 C CG1 . VAL B 53 ? 0.4851 0.7534 0.6977 0.1638 -0.0771 -0.1601 52 VAL B CG1 3548 C CG2 . VAL B 53 ? 0.5101 0.7335 0.6768 0.1873 -0.0906 -0.1488 52 VAL B CG2 3549 N N . ILE B 54 ? 0.4308 0.6475 0.5939 0.1459 -0.0780 -0.1310 53 ILE B N 3550 C CA . ILE B 54 ? 0.4339 0.6554 0.6027 0.1325 -0.0734 -0.1289 53 ILE B CA 3551 C C . ILE B 54 ? 0.4024 0.6045 0.5560 0.1192 -0.0622 -0.1156 53 ILE B C 3552 O O . ILE B 54 ? 0.3822 0.5911 0.5447 0.1057 -0.0540 -0.1147 53 ILE B O 3553 C CB . ILE B 54 ? 0.4686 0.6859 0.6301 0.1384 -0.0851 -0.1298 53 ILE B CB 3554 C CG1 . ILE B 54 ? 0.4717 0.6957 0.6412 0.1239 -0.0795 -0.1285 53 ILE B CG1 3555 C CG2 . ILE B 54 ? 0.5038 0.6891 0.6330 0.1452 -0.0903 -0.1185 53 ILE B CG2 3556 C CD1 . ILE B 54 ? 0.4986 0.7260 0.6680 0.1284 -0.0905 -0.1328 53 ILE B CD1 3557 N N . ILE B 55 ? 0.3898 0.5673 0.5201 0.1230 -0.0621 -0.1059 54 ILE B N 3558 C CA . ILE B 55 ? 0.3725 0.5327 0.4895 0.1113 -0.0524 -0.0943 54 ILE B CA 3559 C C . ILE B 55 ? 0.3436 0.5154 0.4750 0.1000 -0.0400 -0.0958 54 ILE B C 3560 O O . ILE B 55 ? 0.2912 0.4551 0.4177 0.0882 -0.0321 -0.0887 54 ILE B O 3561 C CB . ILE B 55 ? 0.4143 0.5473 0.5052 0.1171 -0.0540 -0.0849 54 ILE B CB 3562 C CG1 . ILE B 55 ? 0.4403 0.5565 0.5183 0.1050 -0.0457 -0.0736 54 ILE B CG1 3563 C CG2 . ILE B 55 ? 0.4274 0.5616 0.5198 0.1238 -0.0526 -0.0878 54 ILE B CG2 3564 C CD1 . ILE B 55 ? 0.4906 0.5794 0.5422 0.1086 -0.0486 -0.0645 54 ILE B CD1 3565 N N . ASP B 56 ? 0.3266 0.5163 0.4750 0.1036 -0.0383 -0.1052 55 ASP B N 3566 C CA . ASP B 56 ? 0.3183 0.5185 0.4796 0.0923 -0.0258 -0.1074 55 ASP B CA 3567 C C . ASP B 56 ? 0.3017 0.5157 0.4776 0.0798 -0.0203 -0.1109 55 ASP B C 3568 O O . ASP B 56 ? 0.2892 0.4993 0.4642 0.0673 -0.0096 -0.1069 55 ASP B O 3569 C CB . ASP B 56 ? 0.3328 0.5511 0.5109 0.0987 -0.0244 -0.1182 55 ASP B CB 3570 C CG . ASP B 56 ? 0.3663 0.5701 0.5297 0.1101 -0.0279 -0.1149 55 ASP B CG 3571 O OD1 . ASP B 56 ? 0.3771 0.5573 0.5191 0.1077 -0.0255 -0.1037 55 ASP B OD1 3572 O OD2 . ASP B 56 ? 0.3759 0.5924 0.5497 0.1217 -0.0334 -0.1243 55 ASP B OD2 3573 N N . CYS B 57 ? 0.2933 0.5215 0.4808 0.0834 -0.0280 -0.1182 56 CYS B N 3574 C CA . CYS B 57 ? 0.3038 0.5430 0.5030 0.0720 -0.0242 -0.1214 56 CYS B CA 3575 C C . CYS B 57 ? 0.2777 0.4956 0.4582 0.0636 -0.0215 -0.1091 56 CYS B C 3576 O O . CYS B 57 ? 0.2661 0.4836 0.4490 0.0508 -0.0124 -0.1071 56 CYS B O 3577 C CB . CYS B 57 ? 0.3404 0.5961 0.5526 0.0790 -0.0350 -0.1310 56 CYS B CB 3578 S SG . CYS B 57 ? 0.4173 0.6987 0.6515 0.0929 -0.0426 -0.1468 56 CYS B SG 3579 N N . TRP B 58 ? 0.2657 0.4649 0.4268 0.0711 -0.0293 -0.1011 57 TRP B N 3580 C CA . TRP B 58 ? 0.2599 0.4392 0.4034 0.0647 -0.0274 -0.0900 57 TRP B CA 3581 C C . TRP B 58 ? 0.2465 0.4140 0.3821 0.0557 -0.0170 -0.0825 57 TRP B C 3582 O O . TRP B 58 ? 0.2414 0.4043 0.3750 0.0452 -0.0111 -0.0784 57 TRP B O 3583 C CB . TRP B 58 ? 0.2635 0.4248 0.3874 0.0749 -0.0367 -0.0839 57 TRP B CB 3584 C CG . TRP B 58 ? 0.2635 0.4056 0.3704 0.0693 -0.0351 -0.0737 57 TRP B CG 3585 C CD1 . TRP B 58 ? 0.2577 0.3987 0.3633 0.0648 -0.0369 -0.0725 57 TRP B CD1 3586 C CD2 . TRP B 58 ? 0.2662 0.3879 0.3555 0.0675 -0.0315 -0.0639 57 TRP B CD2 3587 N NE1 . TRP B 58 ? 0.2624 0.3842 0.3514 0.0608 -0.0344 -0.0628 57 TRP B NE1 3588 C CE2 . TRP B 58 ? 0.2605 0.3706 0.3397 0.0622 -0.0312 -0.0576 57 TRP B CE2 3589 C CE3 . TRP B 58 ? 0.2696 0.3819 0.3509 0.0700 -0.0286 -0.0603 57 TRP B CE3 3590 C CZ2 . TRP B 58 ? 0.2694 0.3608 0.3327 0.0591 -0.0279 -0.0485 57 TRP B CZ2 3591 C CZ3 . TRP B 58 ? 0.2718 0.3647 0.3366 0.0665 -0.0255 -0.0510 57 TRP B CZ3 3592 C CH2 . TRP B 58 ? 0.2663 0.3498 0.3232 0.0611 -0.0252 -0.0455 57 TRP B CH2 3593 N N . ILE B 59 ? 0.2531 0.4149 0.3833 0.0604 -0.0153 -0.0808 58 ILE B N 3594 C CA A ILE B 59 ? 0.2609 0.4114 0.3831 0.0529 -0.0063 -0.0744 58 ILE B CA 3595 C CA B ILE B 59 ? 0.2568 0.4073 0.3790 0.0530 -0.0063 -0.0745 58 ILE B CA 3596 C C . ILE B 59 ? 0.2643 0.4260 0.3994 0.0414 0.0034 -0.0788 58 ILE B C 3597 O O . ILE B 59 ? 0.2556 0.4064 0.3828 0.0320 0.0099 -0.0727 58 ILE B O 3598 C CB A ILE B 59 ? 0.2808 0.4259 0.3974 0.0603 -0.0061 -0.0740 58 ILE B CB 3599 C CB B ILE B 59 ? 0.2696 0.4159 0.3874 0.0601 -0.0057 -0.0746 58 ILE B CB 3600 C CG1 A ILE B 59 ? 0.2992 0.4267 0.3976 0.0697 -0.0143 -0.0678 58 ILE B CG1 3601 C CG1 B ILE B 59 ? 0.2825 0.4124 0.3831 0.0702 -0.0135 -0.0691 58 ILE B CG1 3602 C CG2 A ILE B 59 ? 0.2838 0.4197 0.3943 0.0519 0.0035 -0.0691 58 ILE B CG2 3603 C CG2 B ILE B 59 ? 0.2727 0.4088 0.3834 0.0518 0.0037 -0.0692 58 ILE B CG2 3604 C CD1 A ILE B 59 ? 0.3143 0.4350 0.4054 0.0786 -0.0157 -0.0678 58 ILE B CD1 3605 C CD1 B ILE B 59 ? 0.2772 0.3866 0.3598 0.0658 -0.0131 -0.0586 58 ILE B CD1 3606 N N . ASP B 60 ? 0.2509 0.4340 0.4055 0.0419 0.0047 -0.0898 59 ASP B N 3607 C CA . ASP B 60 ? 0.2557 0.4490 0.4221 0.0302 0.0153 -0.0949 59 ASP B CA 3608 C C . ASP B 60 ? 0.2533 0.4434 0.4183 0.0201 0.0175 -0.0924 59 ASP B C 3609 O O . ASP B 60 ? 0.2674 0.4549 0.4323 0.0088 0.0273 -0.0921 59 ASP B O 3610 C CB . ASP B 60 ? 0.2740 0.4935 0.4643 0.0323 0.0164 -0.1088 59 ASP B CB 3611 C CG . ASP B 60 ? 0.2903 0.5172 0.4900 0.0200 0.0301 -0.1140 59 ASP B CG 3612 O OD1 . ASP B 60 ? 0.3231 0.5362 0.5109 0.0160 0.0375 -0.1083 59 ASP B OD1 3613 O OD2 . ASP B 60 ? 0.3049 0.5507 0.5231 0.0140 0.0336 -0.1240 59 ASP B OD2 3614 N N . ASN B 61 ? 0.2292 0.4183 0.3920 0.0242 0.0087 -0.0909 60 ASN B N 3615 C CA . ASN B 61 ? 0.2276 0.4134 0.3886 0.0157 0.0099 -0.0889 60 ASN B CA 3616 C C . ASN B 61 ? 0.2316 0.3945 0.3724 0.0131 0.0101 -0.0768 60 ASN B C 3617 O O . ASN B 61 ? 0.2444 0.4007 0.3813 0.0038 0.0150 -0.0739 60 ASN B O 3618 C CB . ASN B 61 ? 0.2181 0.4155 0.3879 0.0209 0.0006 -0.0945 60 ASN B CB 3619 C CG . ASN B 61 ? 0.2273 0.4505 0.4208 0.0204 0.0011 -0.1082 60 ASN B CG 3620 O OD1 . ASN B 61 ? 0.2133 0.4450 0.4170 0.0112 0.0111 -0.1133 60 ASN B OD1 3621 N ND2 . ASN B 61 ? 0.2201 0.4551 0.4217 0.0304 -0.0094 -0.1146 60 ASN B ND2 3622 N N . ILE B 62 ? 0.2242 0.3750 0.3523 0.0214 0.0044 -0.0704 61 ILE B N 3623 C CA . ILE B 62 ? 0.2390 0.3702 0.3500 0.0197 0.0036 -0.0602 61 ILE B CA 3624 C C . ILE B 62 ? 0.2346 0.3521 0.3348 0.0161 0.0097 -0.0538 61 ILE B C 3625 O O . ILE B 62 ? 0.2307 0.3336 0.3190 0.0129 0.0103 -0.0465 61 ILE B O 3626 C CB . ILE B 62 ? 0.2629 0.3865 0.3644 0.0293 -0.0054 -0.0567 61 ILE B CB 3627 C CG1 . ILE B 62 ? 0.2771 0.3863 0.3664 0.0258 -0.0061 -0.0492 61 ILE B CG1 3628 C CG2 . ILE B 62 ? 0.2716 0.3878 0.3651 0.0368 -0.0069 -0.0542 61 ILE B CG2 3629 C CD1 . ILE B 62 ? 0.3143 0.4162 0.3943 0.0334 -0.0139 -0.0469 61 ILE B CD1 3630 N N . ARG B 63 ? 0.2277 0.3499 0.3321 0.0168 0.0140 -0.0570 62 ARG B N 3631 C CA . ARG B 63 ? 0.2400 0.3493 0.3341 0.0127 0.0201 -0.0518 62 ARG B CA 3632 C C . ARG B 63 ? 0.2461 0.3495 0.3372 0.0019 0.0268 -0.0500 62 ARG B C 3633 O O . ARG B 63 ? 0.2434 0.3566 0.3441 -0.0036 0.0296 -0.0553 62 ARG B O 3634 C CB . ARG B 63 ? 0.2587 0.3747 0.3583 0.0148 0.0244 -0.0566 62 ARG B CB 3635 C CG . ARG B 63 ? 0.2710 0.4022 0.3853 0.0082 0.0318 -0.0653 62 ARG B CG 3636 C CD . ARG B 63 ? 0.3053 0.4471 0.4284 0.0122 0.0348 -0.0719 62 ARG B CD 3637 N NE . ARG B 63 ? 0.3200 0.4792 0.4599 0.0057 0.0419 -0.0818 62 ARG B NE 3638 C CZ . ARG B 63 ? 0.3523 0.5087 0.4912 -0.0044 0.0531 -0.0834 62 ARG B CZ 3639 N NH1 . ARG B 63 ? 0.3665 0.5030 0.4877 -0.0084 0.0576 -0.0757 62 ARG B NH1 3640 N NH2 . ARG B 63 ? 0.3788 0.5523 0.5343 -0.0106 0.0598 -0.0935 62 ARG B NH2 3641 N N . LEU B 64 ? 0.2536 0.3404 0.3307 -0.0007 0.0289 -0.0430 63 LEU B N 3642 C CA . LEU B 64 ? 0.2570 0.3347 0.3277 -0.0099 0.0357 -0.0413 63 LEU B CA 3643 C C . LEU B 64 ? 0.2675 0.3425 0.3355 -0.0129 0.0433 -0.0432 63 LEU B C 3644 O O . LEU B 64 ? 0.2650 0.3383 0.3303 -0.0075 0.0422 -0.0422 63 LEU B O 3645 C CB . LEU B 64 ? 0.2488 0.3097 0.3055 -0.0103 0.0327 -0.0333 63 LEU B CB 3646 C CG . LEU B 64 ? 0.2520 0.3125 0.3089 -0.0088 0.0268 -0.0310 63 LEU B CG 3647 C CD1 . LEU B 64 ? 0.2615 0.3063 0.3057 -0.0089 0.0247 -0.0240 63 LEU B CD1 3648 C CD2 . LEU B 64 ? 0.2582 0.3247 0.3215 -0.0150 0.0294 -0.0349 63 LEU B CD2 3649 N N . VAL B 65 ? 0.2676 0.3409 0.3351 -0.0218 0.0513 -0.0460 64 VAL B N 3650 C CA . VAL B 65 ? 0.2870 0.3541 0.3486 -0.0263 0.0599 -0.0474 64 VAL B CA 3651 C C . VAL B 65 ? 0.3018 0.3458 0.3431 -0.0297 0.0610 -0.0399 64 VAL B C 3652 O O . VAL B 65 ? 0.3077 0.3435 0.3429 -0.0344 0.0610 -0.0377 64 VAL B O 3653 C CB . VAL B 65 ? 0.3114 0.3882 0.3825 -0.0351 0.0693 -0.0555 64 VAL B CB 3654 C CG1 . VAL B 65 ? 0.3316 0.3994 0.3941 -0.0408 0.0796 -0.0569 64 VAL B CG1 3655 C CG2 . VAL B 65 ? 0.3077 0.4095 0.4010 -0.0311 0.0673 -0.0642 64 VAL B CG2 3656 N N . TYR B 66 ? 0.2949 0.3282 0.3255 -0.0267 0.0610 -0.0363 65 TYR B N 3657 C CA . TYR B 66 ? 0.3092 0.3207 0.3204 -0.0291 0.0611 -0.0301 65 TYR B CA 3658 C C . TYR B 66 ? 0.3402 0.3413 0.3414 -0.0371 0.0714 -0.0323 65 TYR B C 3659 O O . TYR B 66 ? 0.3521 0.3571 0.3554 -0.0376 0.0773 -0.0360 65 TYR B O 3660 C CB . TYR B 66 ? 0.3088 0.3125 0.3123 -0.0222 0.0552 -0.0251 65 TYR B CB 3661 C CG . TYR B 66 ? 0.3106 0.2939 0.2962 -0.0236 0.0528 -0.0192 65 TYR B CG 3662 C CD1 . TYR B 66 ? 0.2960 0.2756 0.2800 -0.0219 0.0459 -0.0154 65 TYR B CD1 3663 C CD2 . TYR B 66 ? 0.3348 0.3023 0.3048 -0.0263 0.0572 -0.0180 65 TYR B CD2 3664 C CE1 . TYR B 66 ? 0.3021 0.2644 0.2712 -0.0223 0.0429 -0.0111 65 TYR B CE1 3665 C CE2 . TYR B 66 ? 0.3387 0.2870 0.2917 -0.0266 0.0538 -0.0132 65 TYR B CE2 3666 C CZ . TYR B 66 ? 0.3259 0.2725 0.2794 -0.0242 0.0463 -0.0100 65 TYR B CZ 3667 O OH . TYR B 66 ? 0.3434 0.2722 0.2813 -0.0237 0.0421 -0.0063 65 TYR B OH 3668 N N . ASN B 67 ? 0.3613 0.3482 0.3505 -0.0432 0.0739 -0.0303 66 ASN B N 3669 C CA . ASN B 67 ? 0.4062 0.3788 0.3817 -0.0516 0.0842 -0.0320 66 ASN B CA 3670 C C . ASN B 67 ? 0.4198 0.3677 0.3719 -0.0498 0.0817 -0.0256 66 ASN B C 3671 O O . ASN B 67 ? 0.3975 0.3326 0.3389 -0.0484 0.0755 -0.0207 66 ASN B O 3672 C CB . ASN B 67 ? 0.4289 0.3994 0.4041 -0.0595 0.0886 -0.0343 66 ASN B CB 3673 C CG . ASN B 67 ? 0.4864 0.4397 0.4454 -0.0695 0.1003 -0.0363 66 ASN B CG 3674 O OD1 . ASN B 67 ? 0.4633 0.3973 0.4031 -0.0699 0.1030 -0.0333 66 ASN B OD1 3675 N ND2 . ASN B 67 ? 0.5321 0.4913 0.4978 -0.0780 0.1077 -0.0418 66 ASN B ND2 3676 N N . LYS B 68 ? 0.4543 0.3959 0.3986 -0.0495 0.0860 -0.0261 67 LYS B N 3677 C CA . LYS B 68 ? 0.4970 0.4160 0.4194 -0.0469 0.0827 -0.0206 67 LYS B CA 3678 C C . LYS B 68 ? 0.5310 0.4245 0.4298 -0.0530 0.0864 -0.0183 67 LYS B C 3679 O O . LYS B 68 ? 0.5743 0.4490 0.4555 -0.0495 0.0800 -0.0133 67 LYS B O 3680 C CB . LYS B 68 ? 0.5278 0.4455 0.4466 -0.0457 0.0873 -0.0222 67 LYS B CB 3681 C CG . LYS B 68 ? 0.5397 0.4765 0.4759 -0.0381 0.0824 -0.0233 67 LYS B CG 3682 C CD . LYS B 68 ? 0.5747 0.5084 0.5057 -0.0376 0.0882 -0.0255 67 LYS B CD 3683 C CE . LYS B 68 ? 0.6052 0.5519 0.5480 -0.0291 0.0821 -0.0255 67 LYS B CE 3684 N NZ . LYS B 68 ? 0.6196 0.5914 0.5861 -0.0270 0.0831 -0.0313 67 LYS B NZ 3685 N N . THR B 69 ? 0.5507 0.4428 0.4485 -0.0618 0.0965 -0.0224 68 THR B N 3686 C CA . THR B 69 ? 0.5862 0.4515 0.4592 -0.0683 0.1011 -0.0206 68 THR B CA 3687 C C . THR B 69 ? 0.5767 0.4355 0.4460 -0.0657 0.0922 -0.0166 68 THR B C 3688 O O . THR B 69 ? 0.6239 0.4590 0.4712 -0.0635 0.0873 -0.0120 68 THR B O 3689 C CB . THR B 69 ? 0.5917 0.4586 0.4663 -0.0798 0.1157 -0.0270 68 THR B CB 3690 O OG1 . THR B 69 ? 0.6016 0.4776 0.4827 -0.0819 0.1243 -0.0318 68 THR B OG1 3691 C CG2 . THR B 69 ? 0.6316 0.4665 0.4763 -0.0872 0.1218 -0.0251 68 THR B CG2 3692 N N . SER B 70 ? 0.5358 0.4151 0.4262 -0.0657 0.0899 -0.0189 69 SER B N 3693 C CA . SER B 70 ? 0.5149 0.3899 0.4035 -0.0631 0.0820 -0.0157 69 SER B CA 3694 C C . SER B 70 ? 0.4869 0.3683 0.3822 -0.0527 0.0689 -0.0114 69 SER B C 3695 O O . SER B 70 ? 0.4654 0.3413 0.3574 -0.0495 0.0617 -0.0086 69 SER B O 3696 C CB . SER B 70 ? 0.4976 0.3912 0.4052 -0.0677 0.0850 -0.0201 69 SER B CB 3697 O OG . SER B 70 ? 0.4723 0.3936 0.4053 -0.0636 0.0824 -0.0231 69 SER B OG 3698 N N . ARG B 71 ? 0.4582 0.3515 0.3631 -0.0477 0.0665 -0.0115 70 ARG B N 3699 C CA . ARG B 71 ? 0.4500 0.3523 0.3641 -0.0389 0.0555 -0.0085 70 ARG B CA 3700 C C . ARG B 71 ? 0.4176 0.3357 0.3484 -0.0373 0.0510 -0.0091 70 ARG B C 3701 O O . ARG B 71 ? 0.4111 0.3266 0.3412 -0.0329 0.0430 -0.0062 70 ARG B O 3702 C CB . ARG B 71 ? 0.4737 0.3557 0.3694 -0.0343 0.0479 -0.0039 70 ARG B CB 3703 C CG . ARG B 71 ? 0.4937 0.3579 0.3704 -0.0350 0.0510 -0.0030 70 ARG B CG 3704 C CD . ARG B 71 ? 0.4903 0.3664 0.3765 -0.0318 0.0510 -0.0038 70 ARG B CD 3705 N NE . ARG B 71 ? 0.4732 0.3560 0.3670 -0.0244 0.0405 -0.0015 70 ARG B NE 3706 C CZ . ARG B 71 ? 0.4811 0.3527 0.3641 -0.0201 0.0344 0.0006 70 ARG B CZ 3707 N NH1 . ARG B 71 ? 0.4901 0.3419 0.3526 -0.0215 0.0369 0.0013 70 ARG B NH1 3708 N NH2 . ARG B 71 ? 0.4720 0.3522 0.3647 -0.0147 0.0260 0.0017 70 ARG B NH2 3709 N N . ALA B 72 ? 0.4019 0.3368 0.3480 -0.0410 0.0563 -0.0135 71 ALA B N 3710 C CA . ALA B 72 ? 0.3682 0.3176 0.3292 -0.0401 0.0527 -0.0147 71 ALA B CA 3711 C C . ALA B 72 ? 0.3574 0.3294 0.3381 -0.0401 0.0555 -0.0198 71 ALA B C 3712 O O . ALA B 72 ? 0.3483 0.3241 0.3310 -0.0428 0.0622 -0.0233 71 ALA B O 3713 C CB . ALA B 72 ? 0.3901 0.3302 0.3441 -0.0466 0.0564 -0.0157 71 ALA B CB 3714 N N . THR B 73 ? 0.3287 0.3152 0.3234 -0.0366 0.0502 -0.0205 72 THR B N 3715 C CA . THR B 73 ? 0.3322 0.3396 0.3449 -0.0353 0.0512 -0.0257 72 THR B CA 3716 C C . THR B 73 ? 0.3433 0.3587 0.3640 -0.0419 0.0559 -0.0310 72 THR B C 3717 O O . THR B 73 ? 0.3463 0.3526 0.3603 -0.0458 0.0560 -0.0295 72 THR B O 3718 C CB . THR B 73 ? 0.3293 0.3472 0.3513 -0.0273 0.0426 -0.0242 72 THR B CB 3719 O OG1 . THR B 73 ? 0.3204 0.3343 0.3404 -0.0266 0.0376 -0.0212 72 THR B OG1 3720 C CG2 . THR B 73 ? 0.3330 0.3454 0.3492 -0.0215 0.0392 -0.0204 72 THR B CG2 3721 N N . GLN B 74 ? 0.3344 0.3674 0.3702 -0.0428 0.0594 -0.0376 73 GLN B N 3722 C CA . GLN B 74 ? 0.3432 0.3885 0.3910 -0.0485 0.0629 -0.0441 73 GLN B CA 3723 C C . GLN B 74 ? 0.3136 0.3822 0.3813 -0.0426 0.0586 -0.0497 73 GLN B C 3724 O O . GLN B 74 ? 0.2975 0.3707 0.3679 -0.0353 0.0551 -0.0489 73 GLN B O 3725 C CB . GLN B 74 ? 0.3942 0.4345 0.4379 -0.0587 0.0747 -0.0487 73 GLN B CB 3726 C CG . GLN B 74 ? 0.4296 0.4684 0.4704 -0.0584 0.0803 -0.0499 73 GLN B CG 3727 C CD . GLN B 74 ? 0.4712 0.4987 0.5021 -0.0692 0.0928 -0.0531 73 GLN B CD 3728 O OE1 . GLN B 74 ? 0.4955 0.4994 0.5051 -0.0729 0.0954 -0.0479 73 GLN B OE1 3729 N NE2 . GLN B 74 ? 0.4684 0.5124 0.5143 -0.0739 0.1006 -0.0619 73 GLN B NE2 3730 N N . PHE B 75 ? 0.3074 0.3894 0.3878 -0.0453 0.0582 -0.0554 74 PHE B N 3731 C CA . PHE B 75 ? 0.2917 0.3957 0.3907 -0.0394 0.0534 -0.0618 74 PHE B CA 3732 C C . PHE B 75 ? 0.2954 0.4131 0.4065 -0.0426 0.0610 -0.0704 74 PHE B C 3733 O O . PHE B 75 ? 0.2915 0.4028 0.3980 -0.0518 0.0710 -0.0723 74 PHE B O 3734 C CB . PHE B 75 ? 0.2885 0.4023 0.3969 -0.0408 0.0494 -0.0656 74 PHE B CB 3735 C CG . PHE B 75 ? 0.2863 0.3864 0.3829 -0.0394 0.0436 -0.0581 74 PHE B CG 3736 C CD1 . PHE B 75 ? 0.2859 0.3742 0.3712 -0.0325 0.0381 -0.0500 74 PHE B CD1 3737 C CD2 . PHE B 75 ? 0.2878 0.3874 0.3854 -0.0452 0.0442 -0.0599 74 PHE B CD2 3738 C CE1 . PHE B 75 ? 0.3022 0.3798 0.3786 -0.0314 0.0335 -0.0443 74 PHE B CE1 3739 C CE2 . PHE B 75 ? 0.3036 0.3915 0.3912 -0.0436 0.0392 -0.0538 74 PHE B CE2 3740 C CZ . PHE B 75 ? 0.3013 0.3786 0.3787 -0.0366 0.0340 -0.0462 74 PHE B CZ 3741 N N . PRO B 76 ? 0.2795 0.4152 0.4054 -0.0348 0.0565 -0.0759 75 PRO B N 3742 C CA . PRO B 76 ? 0.2934 0.4455 0.4343 -0.0377 0.0638 -0.0858 75 PRO B CA 3743 C C . PRO B 76 ? 0.3048 0.4681 0.4579 -0.0486 0.0708 -0.0946 75 PRO B C 3744 O O . PRO B 76 ? 0.2912 0.4543 0.4448 -0.0510 0.0672 -0.0941 75 PRO B O 3745 C CB . PRO B 76 ? 0.2889 0.4583 0.4436 -0.0256 0.0547 -0.0902 75 PRO B CB 3746 C CG . PRO B 76 ? 0.2801 0.4345 0.4197 -0.0168 0.0454 -0.0799 75 PRO B CG 3747 C CD . PRO B 76 ? 0.2702 0.4103 0.3982 -0.0228 0.0452 -0.0734 75 PRO B CD 3748 N N . ASP B 77 ? 0.3268 0.4992 0.4891 -0.0555 0.0814 -0.1028 76 ASP B N 3749 C CA . ASP B 77 ? 0.3468 0.5304 0.5214 -0.0672 0.0898 -0.1124 76 ASP B CA 3750 C C . ASP B 77 ? 0.3070 0.5126 0.5015 -0.0632 0.0811 -0.1197 76 ASP B C 3751 O O . ASP B 77 ? 0.2948 0.5175 0.5032 -0.0524 0.0729 -0.1242 76 ASP B O 3752 C CB . ASP B 77 ? 0.4050 0.6008 0.5915 -0.0734 0.1019 -0.1224 76 ASP B CB 3753 C CG . ASP B 77 ? 0.4694 0.6422 0.6349 -0.0795 0.1124 -0.1163 76 ASP B CG 3754 O OD1 . ASP B 77 ? 0.5496 0.6968 0.6918 -0.0817 0.1118 -0.1058 76 ASP B OD1 3755 O OD2 . ASP B 77 ? 0.5400 0.7200 0.7119 -0.0813 0.1209 -0.1224 76 ASP B OD2 3756 N N . GLY B 78 ? 0.2949 0.4983 0.4892 -0.0715 0.0825 -0.1211 77 GLY B N 3757 C CA . GLY B 78 ? 0.2861 0.5086 0.4977 -0.0692 0.0747 -0.1284 77 GLY B CA 3758 C C . GLY B 78 ? 0.2727 0.4919 0.4788 -0.0567 0.0597 -0.1215 77 GLY B C 3759 O O . GLY B 78 ? 0.2877 0.5240 0.5084 -0.0517 0.0513 -0.1280 77 GLY B O 3760 N N . VAL B 79 ? 0.2661 0.4637 0.4516 -0.0517 0.0563 -0.1090 78 VAL B N 3761 C CA . VAL B 79 ? 0.2591 0.4516 0.4377 -0.0409 0.0437 -0.1024 78 VAL B CA 3762 C C . VAL B 79 ? 0.2696 0.4408 0.4301 -0.0457 0.0439 -0.0932 78 VAL B C 3763 O O . VAL B 79 ? 0.2783 0.4315 0.4238 -0.0510 0.0505 -0.0868 78 VAL B O 3764 C CB . VAL B 79 ? 0.2577 0.4439 0.4285 -0.0296 0.0385 -0.0961 78 VAL B CB 3765 C CG1 . VAL B 79 ? 0.2493 0.4278 0.4109 -0.0199 0.0270 -0.0892 78 VAL B CG1 3766 C CG2 . VAL B 79 ? 0.2649 0.4709 0.4524 -0.0234 0.0378 -0.1051 78 VAL B CG2 3767 N N . ASP B 80 ? 0.2662 0.4390 0.4275 -0.0433 0.0363 -0.0929 79 ASP B N 3768 C CA . ASP B 80 ? 0.2832 0.4360 0.4270 -0.0444 0.0343 -0.0836 79 ASP B CA 3769 C C . ASP B 80 ? 0.2515 0.4012 0.3899 -0.0329 0.0233 -0.0781 79 ASP B C 3770 O O . ASP B 80 ? 0.2375 0.4010 0.3862 -0.0261 0.0159 -0.0832 79 ASP B O 3771 C CB . ASP B 80 ? 0.3043 0.4566 0.4495 -0.0531 0.0364 -0.0868 79 ASP B CB 3772 C CG . ASP B 80 ? 0.3613 0.4909 0.4871 -0.0547 0.0359 -0.0771 79 ASP B CG 3773 O OD1 . ASP B 80 ? 0.3779 0.4910 0.4899 -0.0568 0.0408 -0.0706 79 ASP B OD1 3774 O OD2 . ASP B 80 ? 0.3754 0.5037 0.4996 -0.0526 0.0298 -0.0761 79 ASP B OD2 3775 N N . VAL B 81 ? 0.2604 0.3914 0.3822 -0.0309 0.0223 -0.0682 80 VAL B N 3776 C CA . VAL B 81 ? 0.2569 0.3818 0.3711 -0.0216 0.0136 -0.0625 80 VAL B CA 3777 C C . VAL B 81 ? 0.2722 0.3826 0.3747 -0.0246 0.0130 -0.0566 80 VAL B C 3778 O O . VAL B 81 ? 0.2974 0.3948 0.3906 -0.0300 0.0182 -0.0523 80 VAL B O 3779 C CB . VAL B 81 ? 0.2578 0.3752 0.3643 -0.0151 0.0126 -0.0568 80 VAL B CB 3780 C CG1 . VAL B 81 ? 0.2552 0.3649 0.3528 -0.0069 0.0049 -0.0513 80 VAL B CG1 3781 C CG2 . VAL B 81 ? 0.2598 0.3909 0.3772 -0.0111 0.0128 -0.0627 80 VAL B CG2 3782 N N . ARG B 82 ? 0.2590 0.3711 0.3615 -0.0209 0.0064 -0.0571 81 ARG B N 3783 C CA . ARG B 82 ? 0.2660 0.3654 0.3583 -0.0230 0.0057 -0.0523 81 ARG B CA 3784 C C . ARG B 82 ? 0.2399 0.3331 0.3243 -0.0147 -0.0009 -0.0475 81 ARG B C 3785 O O . ARG B 82 ? 0.2257 0.3252 0.3128 -0.0075 -0.0062 -0.0492 81 ARG B O 3786 C CB . ARG B 82 ? 0.2883 0.3932 0.3863 -0.0292 0.0063 -0.0579 81 ARG B CB 3787 C CG . ARG B 82 ? 0.3234 0.4399 0.4289 -0.0242 -0.0011 -0.0632 81 ARG B CG 3788 C CD . ARG B 82 ? 0.3640 0.4838 0.4735 -0.0309 -0.0007 -0.0683 81 ARG B CD 3789 N NE . ARG B 82 ? 0.4030 0.5343 0.5193 -0.0251 -0.0090 -0.0739 81 ARG B NE 3790 C CZ . ARG B 82 ? 0.4608 0.6016 0.5856 -0.0292 -0.0108 -0.0814 81 ARG B CZ 3791 N NH1 . ARG B 82 ? 0.4396 0.5798 0.5673 -0.0400 -0.0039 -0.0844 81 ARG B NH1 3792 N NH2 . ARG B 82 ? 0.4548 0.6048 0.5842 -0.0223 -0.0198 -0.0862 81 ARG B NH2 3793 N N . VAL B 83 ? 0.2254 0.3055 0.2996 -0.0159 -0.0005 -0.0420 82 VAL B N 3794 C CA . VAL B 83 ? 0.2316 0.3039 0.2973 -0.0098 -0.0050 -0.0375 82 VAL B CA 3795 C C . VAL B 83 ? 0.2342 0.3065 0.2988 -0.0102 -0.0082 -0.0396 82 VAL B C 3796 O O . VAL B 83 ? 0.2391 0.3056 0.3010 -0.0154 -0.0056 -0.0388 82 VAL B O 3797 C CB . VAL B 83 ? 0.2283 0.2873 0.2848 -0.0108 -0.0020 -0.0309 82 VAL B CB 3798 C CG1 . VAL B 83 ? 0.2380 0.2897 0.2868 -0.0057 -0.0052 -0.0272 82 VAL B CG1 3799 C CG2 . VAL B 83 ? 0.2394 0.2976 0.2961 -0.0108 0.0009 -0.0291 82 VAL B CG2 3800 N N . PRO B 84 ? 0.2415 0.3191 0.3071 -0.0046 -0.0142 -0.0424 83 PRO B N 3801 C CA . PRO B 84 ? 0.2412 0.3170 0.3037 -0.0047 -0.0176 -0.0443 83 PRO B CA 3802 C C . PRO B 84 ? 0.2418 0.3036 0.2918 -0.0025 -0.0176 -0.0385 83 PRO B C 3803 O O . PRO B 84 ? 0.2376 0.2928 0.2819 0.0003 -0.0165 -0.0338 83 PRO B O 3804 C CB . PRO B 84 ? 0.2491 0.3340 0.3152 0.0017 -0.0247 -0.0494 83 PRO B CB 3805 C CG . PRO B 84 ? 0.2489 0.3325 0.3125 0.0077 -0.0255 -0.0467 83 PRO B CG 3806 C CD . PRO B 84 ? 0.2414 0.3249 0.3089 0.0026 -0.0186 -0.0442 83 PRO B CD 3807 N N . GLY B 85 ? 0.2336 0.2913 0.2798 -0.0044 -0.0186 -0.0392 84 GLY B N 3808 C CA . GLY B 85 ? 0.2381 0.2841 0.2728 -0.0015 -0.0192 -0.0353 84 GLY B CA 3809 C C . GLY B 85 ? 0.2347 0.2712 0.2649 -0.0040 -0.0142 -0.0304 84 GLY B C 3810 O O . GLY B 85 ? 0.2364 0.2645 0.2587 -0.0014 -0.0136 -0.0274 84 GLY B O 3811 N N . PHE B 86 ? 0.2226 0.2597 0.2574 -0.0090 -0.0104 -0.0300 85 PHE B N 3812 C CA . PHE B 86 ? 0.2241 0.2520 0.2546 -0.0104 -0.0069 -0.0262 85 PHE B CA 3813 C C . PHE B 86 ? 0.2321 0.2536 0.2574 -0.0109 -0.0071 -0.0265 85 PHE B C 3814 O O . PHE B 86 ? 0.2282 0.2511 0.2542 -0.0137 -0.0080 -0.0297 85 PHE B O 3815 C CB . PHE B 86 ? 0.2284 0.2553 0.2618 -0.0152 -0.0034 -0.0258 85 PHE B CB 3816 C CG . PHE B 86 ? 0.2185 0.2361 0.2473 -0.0148 -0.0013 -0.0221 85 PHE B CG 3817 C CD1 . PHE B 86 ? 0.2272 0.2436 0.2559 -0.0125 -0.0006 -0.0192 85 PHE B CD1 3818 C CD2 . PHE B 86 ? 0.2284 0.2384 0.2530 -0.0163 -0.0006 -0.0220 85 PHE B CD2 3819 C CE1 . PHE B 86 ? 0.2164 0.2256 0.2421 -0.0116 0.0002 -0.0168 85 PHE B CE1 3820 C CE2 . PHE B 86 ? 0.2294 0.2318 0.2507 -0.0148 0.0002 -0.0195 85 PHE B CE2 3821 C CZ . PHE B 86 ? 0.2250 0.2275 0.2473 -0.0124 0.0004 -0.0171 85 PHE B CZ 3822 N N . GLY B 87 ? 0.2331 0.2479 0.2533 -0.0084 -0.0060 -0.0238 86 GLY B N 3823 C CA . GLY B 87 ? 0.2431 0.2516 0.2581 -0.0084 -0.0055 -0.0243 86 GLY B CA 3824 C C . GLY B 87 ? 0.2550 0.2624 0.2642 -0.0055 -0.0079 -0.0255 86 GLY B C 3825 O O . GLY B 87 ? 0.2663 0.2675 0.2697 -0.0051 -0.0070 -0.0258 86 GLY B O 3826 N N . LYS B 88 ? 0.2611 0.2732 0.2706 -0.0029 -0.0110 -0.0263 87 LYS B N 3827 C CA . LYS B 88 ? 0.2905 0.2994 0.2917 0.0010 -0.0143 -0.0273 87 LYS B CA 3828 C C . LYS B 88 ? 0.2805 0.2857 0.2770 0.0045 -0.0133 -0.0243 87 LYS B C 3829 O O . LYS B 88 ? 0.2677 0.2739 0.2686 0.0035 -0.0102 -0.0219 87 LYS B O 3830 C CB . LYS B 88 ? 0.3260 0.3431 0.3309 0.0021 -0.0199 -0.0316 87 LYS B CB 3831 C CG . LYS B 88 ? 0.3643 0.3870 0.3760 -0.0027 -0.0204 -0.0353 87 LYS B CG 3832 C CD . LYS B 88 ? 0.4022 0.4167 0.4067 -0.0040 -0.0197 -0.0357 87 LYS B CD 3833 C CE . LYS B 88 ? 0.4531 0.4719 0.4631 -0.0092 -0.0203 -0.0398 87 LYS B CE 3834 N NZ . LYS B 88 ? 0.4757 0.4850 0.4789 -0.0112 -0.0180 -0.0392 87 LYS B NZ 3835 N N . THR B 89 ? 0.2844 0.2839 0.2708 0.0088 -0.0162 -0.0247 88 THR B N 3836 C CA . THR B 89 ? 0.2854 0.2787 0.2648 0.0118 -0.0149 -0.0219 88 THR B CA 3837 C C . THR B 89 ? 0.2747 0.2695 0.2506 0.0172 -0.0207 -0.0233 88 THR B C 3838 O O . THR B 89 ? 0.2718 0.2625 0.2434 0.0197 -0.0199 -0.0212 88 THR B O 3839 C CB . THR B 89 ? 0.3153 0.2950 0.2812 0.0121 -0.0110 -0.0203 88 THR B CB 3840 O OG1 . THR B 89 ? 0.3361 0.3094 0.2908 0.0150 -0.0150 -0.0223 88 THR B OG1 3841 C CG2 . THR B 89 ? 0.3154 0.2946 0.2860 0.0076 -0.0052 -0.0197 88 THR B CG2 3842 N N . PHE B 90 ? 0.2760 0.2772 0.2547 0.0191 -0.0267 -0.0274 89 PHE B N 3843 C CA . PHE B 90 ? 0.2837 0.2862 0.2585 0.0257 -0.0334 -0.0298 89 PHE B CA 3844 C C . PHE B 90 ? 0.2697 0.2791 0.2522 0.0273 -0.0333 -0.0290 89 PHE B C 3845 O O . PHE B 90 ? 0.2736 0.2775 0.2477 0.0334 -0.0366 -0.0288 89 PHE B O 3846 C CB . PHE B 90 ? 0.3008 0.3125 0.2811 0.0272 -0.0404 -0.0357 89 PHE B CB 3847 C CG . PHE B 90 ? 0.3165 0.3453 0.3159 0.0225 -0.0398 -0.0391 89 PHE B CG 3848 C CD1 . PHE B 90 ? 0.3302 0.3709 0.3402 0.0248 -0.0425 -0.0421 89 PHE B CD1 3849 C CD2 . PHE B 90 ? 0.3287 0.3606 0.3344 0.0157 -0.0365 -0.0400 89 PHE B CD2 3850 C CE1 . PHE B 90 ? 0.3301 0.3854 0.3568 0.0195 -0.0407 -0.0457 89 PHE B CE1 3851 C CE2 . PHE B 90 ? 0.3182 0.3631 0.3390 0.0106 -0.0351 -0.0433 89 PHE B CE2 3852 C CZ . PHE B 90 ? 0.3254 0.3820 0.3567 0.0121 -0.0368 -0.0462 89 PHE B CZ 3853 N N . SER B 91 ? 0.2499 0.2694 0.2465 0.0221 -0.0294 -0.0288 90 SER B N 3854 C CA . SER B 91 ? 0.2486 0.2760 0.2534 0.0234 -0.0294 -0.0290 90 SER B CA 3855 C C . SER B 91 ? 0.2580 0.2763 0.2562 0.0240 -0.0252 -0.0241 90 SER B C 3856 O O . SER B 91 ? 0.2429 0.2648 0.2444 0.0262 -0.0257 -0.0239 90 SER B O 3857 C CB . SER B 91 ? 0.2454 0.2854 0.2658 0.0175 -0.0266 -0.0311 90 SER B CB 3858 O OG . SER B 91 ? 0.2328 0.2686 0.2541 0.0121 -0.0205 -0.0272 90 SER B OG 3859 N N . LEU B 92 ? 0.2539 0.2615 0.2439 0.0215 -0.0209 -0.0206 91 LEU B N 3860 C CA A LEU B 92 ? 0.2707 0.2683 0.2528 0.0218 -0.0170 -0.0168 91 LEU B CA 3861 C CA B LEU B 92 ? 0.2640 0.2621 0.2464 0.0220 -0.0172 -0.0168 91 LEU B CA 3862 C C . LEU B 92 ? 0.2820 0.2647 0.2462 0.0260 -0.0181 -0.0158 91 LEU B C 3863 O O . LEU B 92 ? 0.2934 0.2670 0.2494 0.0270 -0.0156 -0.0133 91 LEU B O 3864 C CB A LEU B 92 ? 0.2832 0.2780 0.2674 0.0161 -0.0109 -0.0146 91 LEU B CB 3865 C CB B LEU B 92 ? 0.2635 0.2614 0.2515 0.0162 -0.0109 -0.0143 91 LEU B CB 3866 C CG A LEU B 92 ? 0.2817 0.2841 0.2782 0.0116 -0.0078 -0.0139 91 LEU B CG 3867 C CG B LEU B 92 ? 0.2587 0.2574 0.2504 0.0119 -0.0082 -0.0146 91 LEU B CG 3868 C CD1 A LEU B 92 ? 0.2835 0.2953 0.2891 0.0098 -0.0099 -0.0165 91 LEU B CD1 3869 C CD1 B LEU B 92 ? 0.2773 0.2647 0.2565 0.0126 -0.0066 -0.0142 91 LEU B CD1 3870 C CD2 A LEU B 92 ? 0.2907 0.2877 0.2859 0.0083 -0.0030 -0.0126 91 LEU B CD2 3871 C CD2 B LEU B 92 ? 0.2633 0.2639 0.2623 0.0080 -0.0038 -0.0128 91 LEU B CD2 3872 N N . GLU B 93 ? 0.2824 0.2607 0.2388 0.0280 -0.0214 -0.0176 92 GLU B N 3873 C CA . GLU B 93 ? 0.3034 0.2642 0.2392 0.0321 -0.0223 -0.0166 92 GLU B CA 3874 C C . GLU B 93 ? 0.3250 0.2827 0.2536 0.0398 -0.0287 -0.0177 92 GLU B C 3875 O O . GLU B 93 ? 0.3269 0.2698 0.2401 0.0425 -0.0275 -0.0154 92 GLU B O 3876 C CB . GLU B 93 ? 0.3115 0.2667 0.2386 0.0328 -0.0247 -0.0186 92 GLU B CB 3877 C CG . GLU B 93 ? 0.3144 0.2672 0.2429 0.0264 -0.0178 -0.0174 92 GLU B CG 3878 C CD . GLU B 93 ? 0.3373 0.2825 0.2548 0.0276 -0.0202 -0.0194 92 GLU B CD 3879 O OE1 . GLU B 93 ? 0.3541 0.2824 0.2513 0.0311 -0.0209 -0.0187 92 GLU B OE1 3880 O OE2 . GLU B 93 ? 0.3388 0.2931 0.2663 0.0247 -0.0209 -0.0215 92 GLU B OE2 3881 N N . PHE B 94 ? 0.3276 0.2996 0.2680 0.0432 -0.0353 -0.0216 93 PHE B N 3882 C CA . PHE B 94 ? 0.3496 0.3227 0.2870 0.0515 -0.0426 -0.0242 93 PHE B CA 3883 C C . PHE B 94 ? 0.3331 0.3258 0.2916 0.0504 -0.0431 -0.0267 93 PHE B C 3884 O O . PHE B 94 ? 0.3409 0.3488 0.3153 0.0464 -0.0433 -0.0298 93 PHE B O 3885 C CB . PHE B 94 ? 0.3852 0.3581 0.3170 0.0575 -0.0514 -0.0288 93 PHE B CB 3886 C CG . PHE B 94 ? 0.4251 0.3759 0.3323 0.0601 -0.0519 -0.0267 93 PHE B CG 3887 C CD1 . PHE B 94 ? 0.4748 0.4061 0.3605 0.0660 -0.0532 -0.0244 93 PHE B CD1 3888 C CD2 . PHE B 94 ? 0.4609 0.4091 0.3650 0.0564 -0.0508 -0.0273 93 PHE B CD2 3889 C CE1 . PHE B 94 ? 0.5257 0.4341 0.3860 0.0679 -0.0530 -0.0227 93 PHE B CE1 3890 C CE2 . PHE B 94 ? 0.5123 0.4390 0.3924 0.0585 -0.0507 -0.0257 93 PHE B CE2 3891 C CZ . PHE B 94 ? 0.5008 0.4070 0.3584 0.0640 -0.0515 -0.0234 93 PHE B CZ 3892 N N . LEU B 95 ? 0.3215 0.3128 0.2793 0.0532 -0.0425 -0.0253 94 LEU B N 3893 C CA . LEU B 95 ? 0.3155 0.3238 0.2916 0.0522 -0.0421 -0.0277 94 LEU B CA 3894 C C . LEU B 95 ? 0.3270 0.3480 0.3112 0.0591 -0.0506 -0.0346 94 LEU B C 3895 O O . LEU B 95 ? 0.3081 0.3471 0.3109 0.0564 -0.0503 -0.0387 94 LEU B O 3896 C CB . LEU B 95 ? 0.3172 0.3191 0.2892 0.0530 -0.0386 -0.0242 94 LEU B CB 3897 C CG . LEU B 95 ? 0.3251 0.3161 0.2908 0.0463 -0.0306 -0.0185 94 LEU B CG 3898 C CD1 . LEU B 95 ? 0.3347 0.3192 0.2959 0.0474 -0.0280 -0.0158 94 LEU B CD1 3899 C CD2 . LEU B 95 ? 0.3132 0.3147 0.2934 0.0378 -0.0256 -0.0180 94 LEU B CD2 3900 N N . ASP B 96 ? 0.3652 0.3759 0.3347 0.0678 -0.0579 -0.0362 95 ASP B N 3901 C CA . ASP B 96 ? 0.4240 0.4459 0.3999 0.0759 -0.0677 -0.0437 95 ASP B CA 3902 C C . ASP B 96 ? 0.4385 0.4608 0.4119 0.0758 -0.0723 -0.0467 95 ASP B C 3903 O O . ASP B 96 ? 0.4444 0.4478 0.3975 0.0778 -0.0734 -0.0435 95 ASP B O 3904 C CB . ASP B 96 ? 0.4748 0.4832 0.4339 0.0874 -0.0743 -0.0438 95 ASP B CB 3905 C CG . ASP B 96 ? 0.5373 0.5596 0.5057 0.0972 -0.0849 -0.0525 95 ASP B CG 3906 O OD1 . ASP B 96 ? 0.5676 0.6052 0.5493 0.0961 -0.0890 -0.0585 95 ASP B OD1 3907 O OD2 . ASP B 96 ? 0.6164 0.6347 0.5792 0.1061 -0.0894 -0.0538 95 ASP B OD2 3908 N N . PRO B 97 ? 0.4460 0.4887 0.4393 0.0728 -0.0744 -0.0531 96 PRO B N 3909 C CA . PRO B 97 ? 0.4875 0.5307 0.4789 0.0717 -0.0785 -0.0561 96 PRO B CA 3910 C C . PRO B 97 ? 0.5004 0.5340 0.4761 0.0830 -0.0900 -0.0598 96 PRO B C 3911 O O . PRO B 97 ? 0.5000 0.5286 0.4685 0.0827 -0.0933 -0.0611 96 PRO B O 3912 C CB . PRO B 97 ? 0.4949 0.5630 0.5121 0.0660 -0.0782 -0.0632 96 PRO B CB 3913 C CG . PRO B 97 ? 0.4716 0.5514 0.5035 0.0634 -0.0728 -0.0633 96 PRO B CG 3914 C CD . PRO B 97 ? 0.4608 0.5259 0.4782 0.0694 -0.0723 -0.0579 96 PRO B CD 3915 N N . SER B 98 ? 0.5176 0.5470 0.4864 0.0933 -0.0962 -0.0614 97 SER B N 3916 C CA . SER B 98 ? 0.5806 0.5938 0.5276 0.1051 -0.1069 -0.0632 97 SER B CA 3917 C C . SER B 98 ? 0.6366 0.6200 0.5542 0.1039 -0.1026 -0.0550 97 SER B C 3918 O O . SER B 98 ? 0.6461 0.6120 0.5417 0.1118 -0.1101 -0.0557 97 SER B O 3919 C CB . SER B 98 ? 0.5981 0.6102 0.5418 0.1166 -0.1136 -0.0658 97 SER B CB 3920 O OG . SER B 98 ? 0.6291 0.6229 0.5576 0.1156 -0.1063 -0.0577 97 SER B OG 3921 N N . LYS B 99 ? 0.6253 0.6029 0.5424 0.0942 -0.0905 -0.0478 98 LYS B N 3922 C CA . LYS B 99 ? 0.6540 0.6063 0.5472 0.0908 -0.0839 -0.0405 98 LYS B CA 3923 C C . LYS B 99 ? 0.6714 0.6001 0.5393 0.0989 -0.0860 -0.0374 98 LYS B C 3924 O O . LYS B 99 ? 0.6793 0.5833 0.5218 0.0988 -0.0832 -0.0332 98 LYS B O 3925 C CB . LYS B 99 ? 0.7020 0.6464 0.5848 0.0891 -0.0856 -0.0413 98 LYS B CB 3926 C CG . LYS B 99 ? 0.7100 0.6750 0.6159 0.0803 -0.0824 -0.0438 98 LYS B CG 3927 C CD . LYS B 99 ? 0.7752 0.7301 0.6692 0.0781 -0.0829 -0.0439 98 LYS B CD 3928 C CE . LYS B 99 ? 0.8042 0.7770 0.7193 0.0686 -0.0785 -0.0458 98 LYS B CE 3929 N NZ . LYS B 99 ? 0.8550 0.8169 0.7578 0.0663 -0.0783 -0.0457 98 LYS B NZ 3930 N N . SER B 100 ? 0.6891 0.6251 0.5640 0.1050 -0.0898 -0.0395 99 SER B N 3931 C CA . SER B 100 ? 0.7414 0.6557 0.5941 0.1119 -0.0907 -0.0363 99 SER B CA 3932 C C . SER B 100 ? 0.7733 0.6718 0.6153 0.1027 -0.0778 -0.0284 99 SER B C 3933 O O . SER B 100 ? 0.7206 0.6327 0.5811 0.0924 -0.0690 -0.0262 99 SER B O 3934 C CB . SER B 100 ? 0.7606 0.6903 0.6286 0.1184 -0.0954 -0.0402 99 SER B CB 3935 O OG . SER B 100 ? 0.8249 0.7334 0.6722 0.1238 -0.0946 -0.0364 99 SER B OG 3936 N N . SER B 101 ? 0.7770 0.6463 0.5890 0.1066 -0.0771 -0.0247 100 SER B N 3937 C CA . SER B 101 ? 0.7621 0.6149 0.5625 0.0978 -0.0649 -0.0182 100 SER B CA 3938 C C . SER B 101 ? 0.6996 0.5647 0.5170 0.0936 -0.0592 -0.0165 100 SER B C 3939 O O . SER B 101 ? 0.6258 0.4902 0.4475 0.0835 -0.0486 -0.0126 100 SER B O 3940 C CB . SER B 101 ? 0.8181 0.6359 0.5814 0.1032 -0.0653 -0.0153 100 SER B CB 3941 O OG . SER B 101 ? 0.8519 0.6634 0.6068 0.1144 -0.0732 -0.0169 100 SER B OG 3942 N N . VAL B 102 ? 0.6518 0.5293 0.4801 0.1013 -0.0663 -0.0200 101 VAL B N 3943 C CA . VAL B 102 ? 0.6270 0.5174 0.4723 0.0979 -0.0616 -0.0191 101 VAL B CA 3944 C C . VAL B 102 ? 0.5440 0.4558 0.4149 0.0861 -0.0538 -0.0183 101 VAL B C 3945 O O . VAL B 102 ? 0.5566 0.4715 0.4351 0.0798 -0.0466 -0.0154 101 VAL B O 3946 C CB . VAL B 102 ? 0.6393 0.5444 0.4963 0.1083 -0.0709 -0.0247 101 VAL B CB 3947 C CG1 . VAL B 102 ? 0.6497 0.5665 0.5225 0.1048 -0.0657 -0.0237 101 VAL B CG1 3948 C CG2 . VAL B 102 ? 0.7025 0.5865 0.5342 0.1218 -0.0803 -0.0262 101 VAL B CG2 3949 N N . GLY B 103 ? 0.4867 0.4130 0.3707 0.0836 -0.0559 -0.0212 102 GLY B N 3950 C CA . GLY B 103 ? 0.4404 0.3851 0.3468 0.0733 -0.0492 -0.0207 102 GLY B CA 3951 C C . GLY B 103 ? 0.4052 0.3414 0.3054 0.0652 -0.0425 -0.0174 102 GLY B C 3952 O O . GLY B 103 ? 0.3782 0.3280 0.2948 0.0579 -0.0384 -0.0175 102 GLY B O 3953 N N . SER B 104 ? 0.4098 0.3229 0.2859 0.0663 -0.0408 -0.0147 103 SER B N 3954 C CA . SER B 104 ? 0.4073 0.3124 0.2775 0.0586 -0.0337 -0.0124 103 SER B CA 3955 C C . SER B 104 ? 0.3908 0.2983 0.2696 0.0496 -0.0237 -0.0092 103 SER B C 3956 O O . SER B 104 ? 0.4289 0.3249 0.2981 0.0493 -0.0202 -0.0068 103 SER B O 3957 C CB . SER B 104 ? 0.4411 0.3192 0.2815 0.0620 -0.0339 -0.0110 103 SER B CB 3958 O OG . SER B 104 ? 0.4357 0.3071 0.2715 0.0542 -0.0261 -0.0094 103 SER B OG 3959 N N . TYR B 105 ? 0.3517 0.2742 0.2487 0.0427 -0.0199 -0.0095 104 TYR B N 3960 C CA . TYR B 105 ? 0.3321 0.2609 0.2410 0.0355 -0.0125 -0.0075 104 TYR B CA 3961 C C . TYR B 105 ? 0.3270 0.2529 0.2361 0.0283 -0.0055 -0.0068 104 TYR B C 3962 O O . TYR B 105 ? 0.3405 0.2521 0.2371 0.0252 0.0005 -0.0053 104 TYR B O 3963 C CB . TYR B 105 ? 0.3036 0.2533 0.2346 0.0348 -0.0149 -0.0090 104 TYR B CB 3964 C CG . TYR B 105 ? 0.2980 0.2542 0.2409 0.0284 -0.0089 -0.0072 104 TYR B CG 3965 C CD1 . TYR B 105 ? 0.3133 0.2596 0.2492 0.0264 -0.0042 -0.0050 104 TYR B CD1 3966 C CD2 . TYR B 105 ? 0.2762 0.2476 0.2367 0.0245 -0.0083 -0.0082 104 TYR B CD2 3967 C CE1 . TYR B 105 ? 0.3116 0.2644 0.2588 0.0210 0.0001 -0.0041 104 TYR B CE1 3968 C CE2 . TYR B 105 ? 0.2709 0.2470 0.2407 0.0196 -0.0040 -0.0069 104 TYR B CE2 3969 C CZ . TYR B 105 ? 0.2911 0.2588 0.2551 0.0181 -0.0001 -0.0050 104 TYR B CZ 3970 O OH . TYR B 105 ? 0.2687 0.2415 0.2423 0.0137 0.0031 -0.0044 104 TYR B OH 3971 N N . PHE B 106 ? 0.3053 0.2437 0.2275 0.0257 -0.0061 -0.0084 105 PHE B N 3972 C CA . PHE B 106 ? 0.3028 0.2381 0.2245 0.0202 -0.0001 -0.0085 105 PHE B CA 3973 C C . PHE B 106 ? 0.3155 0.2384 0.2210 0.0222 -0.0013 -0.0094 105 PHE B C 3974 O O . PHE B 106 ? 0.3070 0.2268 0.2111 0.0180 0.0037 -0.0098 105 PHE B O 3975 C CB . PHE B 106 ? 0.2989 0.2510 0.2406 0.0164 0.0001 -0.0097 105 PHE B CB 3976 C CG . PHE B 106 ? 0.3043 0.2632 0.2583 0.0118 0.0048 -0.0088 105 PHE B CG 3977 C CD1 . PHE B 106 ? 0.3471 0.3037 0.3029 0.0069 0.0113 -0.0091 105 PHE B CD1 3978 C CD2 . PHE B 106 ? 0.3392 0.3071 0.3032 0.0126 0.0025 -0.0082 105 PHE B CD2 3979 C CE1 . PHE B 106 ? 0.3516 0.3153 0.3194 0.0035 0.0144 -0.0091 105 PHE B CE1 3980 C CE2 . PHE B 106 ? 0.3429 0.3162 0.3171 0.0088 0.0059 -0.0076 105 PHE B CE2 3981 C CZ . PHE B 106 ? 0.3218 0.2934 0.2982 0.0046 0.0113 -0.0082 105 PHE B CZ 3982 N N . HIS B 107 ? 0.3280 0.2433 0.2206 0.0292 -0.0082 -0.0100 106 HIS B N 3983 C CA . HIS B 107 ? 0.3440 0.2476 0.2206 0.0319 -0.0108 -0.0112 106 HIS B CA 3984 C C . HIS B 107 ? 0.3555 0.2395 0.2135 0.0280 -0.0025 -0.0097 106 HIS B C 3985 O O . HIS B 107 ? 0.3388 0.2192 0.1926 0.0258 -0.0004 -0.0108 106 HIS B O 3986 C CB . HIS B 107 ? 0.3687 0.2653 0.2323 0.0412 -0.0205 -0.0126 106 HIS B CB 3987 C CG . HIS B 107 ? 0.3976 0.2827 0.2448 0.0446 -0.0246 -0.0143 106 HIS B CG 3988 N ND1 . HIS B 107 ? 0.4031 0.2980 0.2597 0.0423 -0.0260 -0.0167 106 HIS B ND1 3989 C CD2 . HIS B 107 ? 0.4351 0.2977 0.2554 0.0502 -0.0276 -0.0140 106 HIS B CD2 3990 C CE1 . HIS B 107 ? 0.4319 0.3121 0.2690 0.0464 -0.0300 -0.0179 106 HIS B CE1 3991 N NE2 . HIS B 107 ? 0.4599 0.3198 0.2741 0.0513 -0.0310 -0.0163 106 HIS B NE2 3992 N N . THR B 108 ? 0.3644 0.2351 0.2107 0.0267 0.0024 -0.0076 107 THR B N 3993 C CA . THR B 108 ? 0.3892 0.2398 0.2165 0.0221 0.0115 -0.0068 107 THR B CA 3994 C C . THR B 108 ? 0.3705 0.2317 0.2135 0.0138 0.0200 -0.0081 107 THR B C 3995 O O . THR B 108 ? 0.3869 0.2385 0.2198 0.0109 0.0251 -0.0091 107 THR B O 3996 C CB . THR B 108 ? 0.4085 0.2432 0.2215 0.0209 0.0164 -0.0047 107 THR B CB 3997 O OG1 . THR B 108 ? 0.4264 0.2496 0.2231 0.0299 0.0078 -0.0039 107 THR B OG1 3998 C CG2 . THR B 108 ? 0.4377 0.2511 0.2308 0.0148 0.0272 -0.0046 107 THR B CG2 3999 N N . MET B 109 ? 0.3444 0.2247 0.2110 0.0106 0.0210 -0.0084 108 MET B N 4000 C CA . MET B 109 ? 0.3464 0.2377 0.2290 0.0041 0.0277 -0.0101 108 MET B CA 4001 C C . MET B 109 ? 0.3325 0.2311 0.2210 0.0050 0.0248 -0.0119 108 MET B C 4002 O O . MET B 109 ? 0.3417 0.2374 0.2291 0.0011 0.0310 -0.0136 108 MET B O 4003 C CB . MET B 109 ? 0.3354 0.2442 0.2403 0.0019 0.0277 -0.0101 108 MET B CB 4004 C CG . MET B 109 ? 0.3411 0.2616 0.2628 -0.0032 0.0329 -0.0125 108 MET B CG 4005 S SD . MET B 109 ? 0.3749 0.3130 0.3196 -0.0051 0.0322 -0.0127 108 MET B SD 4006 C CE . MET B 109 ? 0.3778 0.3044 0.3127 -0.0085 0.0385 -0.0122 108 MET B CE 4007 N N . VAL B 110 ? 0.3234 0.2308 0.2175 0.0099 0.0156 -0.0120 109 VAL B N 4008 C CA . VAL B 110 ? 0.3263 0.2395 0.2249 0.0105 0.0125 -0.0139 109 VAL B CA 4009 C C . VAL B 110 ? 0.3465 0.2422 0.2234 0.0119 0.0133 -0.0146 109 VAL B C 4010 O O . VAL B 110 ? 0.3406 0.2361 0.2180 0.0094 0.0164 -0.0162 109 VAL B O 4011 C CB . VAL B 110 ? 0.3134 0.2404 0.2236 0.0143 0.0033 -0.0147 109 VAL B CB 4012 C CG1 . VAL B 110 ? 0.3201 0.2515 0.2333 0.0142 0.0004 -0.0170 109 VAL B CG1 4013 C CG2 . VAL B 110 ? 0.3021 0.2444 0.2321 0.0119 0.0040 -0.0141 109 VAL B CG2 4014 N N . GLU B 111 ? 0.3805 0.2601 0.2368 0.0162 0.0105 -0.0134 110 GLU B N 4015 C CA . GLU B 111 ? 0.4332 0.2922 0.2647 0.0176 0.0118 -0.0138 110 GLU B CA 4016 C C . GLU B 111 ? 0.4189 0.2691 0.2453 0.0104 0.0241 -0.0143 110 GLU B C 4017 O O . GLU B 111 ? 0.3963 0.2383 0.2130 0.0093 0.0267 -0.0157 110 GLU B O 4018 C CB . GLU B 111 ? 0.5113 0.3504 0.3183 0.0233 0.0080 -0.0122 110 GLU B CB 4019 C CG . GLU B 111 ? 0.5776 0.4223 0.3850 0.0320 -0.0051 -0.0133 110 GLU B CG 4020 C CD . GLU B 111 ? 0.6539 0.4940 0.4518 0.0355 -0.0112 -0.0158 110 GLU B CD 4021 O OE1 . GLU B 111 ? 0.8213 0.6381 0.5916 0.0389 -0.0121 -0.0155 110 GLU B OE1 4022 O OE2 . GLU B 111 ? 0.6204 0.4786 0.4367 0.0350 -0.0155 -0.0181 110 GLU B OE2 4023 N N . SER B 112 ? 0.4011 0.2524 0.2334 0.0055 0.0318 -0.0135 111 SER B N 4024 C CA . SER B 112 ? 0.4099 0.2560 0.2413 -0.0020 0.0443 -0.0152 111 SER B CA 4025 C C . SER B 112 ? 0.3729 0.2354 0.2240 -0.0048 0.0464 -0.0180 111 SER B C 4026 O O . SER B 112 ? 0.3800 0.2350 0.2238 -0.0079 0.0530 -0.0201 111 SER B O 4027 C CB . SER B 112 ? 0.4245 0.2726 0.2627 -0.0068 0.0512 -0.0149 111 SER B CB 4028 O OG . SER B 112 ? 0.4761 0.3035 0.2908 -0.0053 0.0518 -0.0126 111 SER B OG 4029 N N . LEU B 113 ? 0.3358 0.2191 0.2103 -0.0036 0.0409 -0.0180 112 LEU B N 4030 C CA . LEU B 113 ? 0.3262 0.2241 0.2188 -0.0053 0.0416 -0.0205 112 LEU B CA 4031 C C . LEU B 113 ? 0.3241 0.2158 0.2067 -0.0031 0.0386 -0.0215 112 LEU B C 4032 O O . LEU B 113 ? 0.3154 0.2067 0.1996 -0.0058 0.0442 -0.0241 112 LEU B O 4033 C CB . LEU B 113 ? 0.3112 0.2279 0.2250 -0.0036 0.0350 -0.0198 112 LEU B CB 4034 C CG . LEU B 113 ? 0.3224 0.2479 0.2500 -0.0063 0.0382 -0.0196 112 LEU B CG 4035 C CD1 . LEU B 113 ? 0.3189 0.2580 0.2606 -0.0036 0.0305 -0.0180 112 LEU B CD1 4036 C CD2 . LEU B 113 ? 0.3294 0.2621 0.2699 -0.0105 0.0454 -0.0230 112 LEU B CD2 4037 N N . VAL B 114 ? 0.3338 0.2207 0.2060 0.0020 0.0297 -0.0201 113 VAL B N 4038 C CA . VAL B 114 ? 0.3557 0.2366 0.2177 0.0045 0.0254 -0.0215 113 VAL B CA 4039 C C . VAL B 114 ? 0.3846 0.2443 0.2230 0.0028 0.0327 -0.0223 113 VAL B C 4040 O O . VAL B 114 ? 0.3873 0.2440 0.2226 0.0014 0.0354 -0.0244 113 VAL B O 4041 C CB . VAL B 114 ? 0.3560 0.2386 0.2143 0.0107 0.0135 -0.0209 113 VAL B CB 4042 C CG1 . VAL B 114 ? 0.3811 0.2534 0.2236 0.0138 0.0087 -0.0227 113 VAL B CG1 4043 C CG2 . VAL B 114 ? 0.3308 0.2348 0.2131 0.0108 0.0082 -0.0212 113 VAL B CG2 4044 N N . GLY B 115 ? 0.4073 0.2513 0.2288 0.0021 0.0371 -0.0207 114 GLY B N 4045 C CA . GLY B 115 ? 0.4445 0.2668 0.2429 -0.0009 0.0465 -0.0215 114 GLY B CA 4046 C C . GLY B 115 ? 0.4419 0.2699 0.2518 -0.0080 0.0584 -0.0245 114 GLY B C 4047 O O . GLY B 115 ? 0.4859 0.3002 0.2809 -0.0105 0.0654 -0.0264 114 GLY B O 4048 N N . TRP B 116 ? 0.4158 0.2640 0.2520 -0.0108 0.0607 -0.0255 115 TRP B N 4049 C CA . TRP B 116 ? 0.4070 0.2650 0.2589 -0.0163 0.0703 -0.0295 115 TRP B CA 4050 C C . TRP B 116 ? 0.3934 0.2633 0.2583 -0.0144 0.0666 -0.0316 115 TRP B C 4051 O O . TRP B 116 ? 0.4030 0.2814 0.2813 -0.0175 0.0733 -0.0354 115 TRP B O 4052 C CB . TRP B 116 ? 0.3928 0.2670 0.2670 -0.0193 0.0732 -0.0303 115 TRP B CB 4053 C CG . TRP B 116 ? 0.4155 0.2791 0.2789 -0.0219 0.0775 -0.0287 115 TRP B CG 4054 C CD1 . TRP B 116 ? 0.4458 0.2857 0.2823 -0.0241 0.0837 -0.0279 115 TRP B CD1 4055 C CD2 . TRP B 116 ? 0.4029 0.2770 0.2803 -0.0229 0.0763 -0.0277 115 TRP B CD2 4056 N NE1 . TRP B 116 ? 0.4693 0.3043 0.3023 -0.0264 0.0863 -0.0264 115 TRP B NE1 4057 C CE2 . TRP B 116 ? 0.4353 0.2918 0.2938 -0.0257 0.0818 -0.0264 115 TRP B CE2 4058 C CE3 . TRP B 116 ? 0.3922 0.2873 0.2945 -0.0217 0.0712 -0.0279 115 TRP B CE3 4059 C CZ2 . TRP B 116 ? 0.4370 0.2974 0.3020 -0.0274 0.0822 -0.0253 115 TRP B CZ2 4060 C CZ3 . TRP B 116 ? 0.3904 0.2894 0.2989 -0.0231 0.0712 -0.0268 115 TRP B CZ3 4061 C CH2 . TRP B 116 ? 0.4085 0.2908 0.2991 -0.0260 0.0768 -0.0256 115 TRP B CH2 4062 N N . GLY B 117 ? 0.3760 0.2469 0.2379 -0.0093 0.0559 -0.0297 116 GLY B N 4063 C CA . GLY B 117 ? 0.3654 0.2443 0.2360 -0.0079 0.0523 -0.0317 116 GLY B CA 4064 C C . GLY B 117 ? 0.3343 0.2311 0.2249 -0.0055 0.0435 -0.0308 116 GLY B C 4065 O O . GLY B 117 ? 0.3345 0.2367 0.2318 -0.0048 0.0410 -0.0326 116 GLY B O 4066 N N . TYR B 118 ? 0.3223 0.2269 0.2214 -0.0044 0.0393 -0.0284 117 TYR B N 4067 C CA . TYR B 118 ? 0.3001 0.2201 0.2164 -0.0027 0.0318 -0.0276 117 TYR B CA 4068 C C . TYR B 118 ? 0.3039 0.2226 0.2135 0.0007 0.0224 -0.0269 117 TYR B C 4069 O O . TYR B 118 ? 0.3131 0.2195 0.2050 0.0028 0.0202 -0.0264 117 TYR B O 4070 C CB . TYR B 118 ? 0.3041 0.2325 0.2312 -0.0030 0.0312 -0.0256 117 TYR B CB 4071 C CG . TYR B 118 ? 0.2963 0.2323 0.2375 -0.0062 0.0382 -0.0274 117 TYR B CG 4072 C CD1 . TYR B 118 ? 0.3136 0.2431 0.2498 -0.0095 0.0472 -0.0289 117 TYR B CD1 4073 C CD2 . TYR B 118 ? 0.2969 0.2462 0.2560 -0.0058 0.0357 -0.0283 117 TYR B CD2 4074 C CE1 . TYR B 118 ? 0.3067 0.2454 0.2581 -0.0123 0.0531 -0.0319 117 TYR B CE1 4075 C CE2 . TYR B 118 ? 0.2811 0.2379 0.2535 -0.0076 0.0407 -0.0308 117 TYR B CE2 4076 C CZ . TYR B 118 ? 0.2975 0.2503 0.2673 -0.0108 0.0493 -0.0330 117 TYR B CZ 4077 O OH . TYR B 118 ? 0.2897 0.2522 0.2752 -0.0125 0.0538 -0.0367 117 TYR B OH 4078 N N . THR B 119 ? 0.2836 0.2142 0.2070 0.0010 0.0171 -0.0274 118 THR B N 4079 C CA . THR B 119 ? 0.2810 0.2140 0.2027 0.0031 0.0086 -0.0281 118 THR B CA 4080 C C . THR B 119 ? 0.2668 0.2132 0.2032 0.0035 0.0036 -0.0271 118 THR B C 4081 O O . THR B 119 ? 0.2561 0.2109 0.2059 0.0014 0.0052 -0.0269 118 THR B O 4082 C CB . THR B 119 ? 0.2813 0.2143 0.2044 0.0018 0.0083 -0.0307 118 THR B CB 4083 O OG1 . THR B 119 ? 0.2933 0.2132 0.2017 0.0017 0.0131 -0.0319 118 THR B OG1 4084 C CG2 . THR B 119 ? 0.2828 0.2195 0.2058 0.0030 -0.0001 -0.0324 118 THR B CG2 4085 N N . ARG B 120 ? 0.2685 0.2158 0.2011 0.0064 -0.0023 -0.0267 119 ARG B N 4086 C CA . ARG B 120 ? 0.2719 0.2313 0.2173 0.0067 -0.0064 -0.0262 119 ARG B CA 4087 C C . ARG B 120 ? 0.2630 0.2320 0.2206 0.0039 -0.0084 -0.0281 119 ARG B C 4088 O O . ARG B 120 ? 0.2537 0.2214 0.2081 0.0036 -0.0114 -0.0308 119 ARG B O 4089 C CB . ARG B 120 ? 0.2915 0.2506 0.2308 0.0111 -0.0133 -0.0269 119 ARG B CB 4090 C CG . ARG B 120 ? 0.2971 0.2459 0.2238 0.0143 -0.0120 -0.0246 119 ARG B CG 4091 C CD . ARG B 120 ? 0.3191 0.2661 0.2377 0.0201 -0.0206 -0.0262 119 ARG B CD 4092 N NE . ARG B 120 ? 0.3288 0.2647 0.2342 0.0238 -0.0201 -0.0239 119 ARG B NE 4093 C CZ . ARG B 120 ? 0.3607 0.2780 0.2444 0.0261 -0.0188 -0.0230 119 ARG B CZ 4094 N NH1 . ARG B 120 ? 0.3855 0.2932 0.2578 0.0255 -0.0181 -0.0244 119 ARG B NH1 4095 N NH2 . ARG B 120 ? 0.3747 0.2810 0.2461 0.0291 -0.0182 -0.0208 119 ARG B NH2 4096 N N . GLY B 121 ? 0.2472 0.2241 0.2171 0.0018 -0.0066 -0.0269 120 GLY B N 4097 C CA . GLY B 121 ? 0.2553 0.2391 0.2348 -0.0011 -0.0079 -0.0285 120 GLY B CA 4098 C C . GLY B 121 ? 0.2720 0.2515 0.2518 -0.0033 -0.0042 -0.0289 120 GLY B C 4099 O O . GLY B 121 ? 0.2631 0.2454 0.2488 -0.0060 -0.0047 -0.0299 120 GLY B O 4100 N N . GLU B 122 ? 0.2850 0.2570 0.2580 -0.0022 -0.0002 -0.0285 121 GLU B N 4101 C CA . GLU B 122 ? 0.2949 0.2630 0.2685 -0.0033 0.0034 -0.0296 121 GLU B CA 4102 C C . GLU B 122 ? 0.2696 0.2389 0.2488 -0.0028 0.0083 -0.0283 121 GLU B C 4103 O O . GLU B 122 ? 0.2541 0.2287 0.2424 -0.0031 0.0079 -0.0273 121 GLU B O 4104 C CB . GLU B 122 ? 0.3443 0.3038 0.3066 -0.0028 0.0042 -0.0316 121 GLU B CB 4105 C CG . GLU B 122 ? 0.3982 0.3579 0.3570 -0.0037 -0.0015 -0.0338 121 GLU B CG 4106 C CD . GLU B 122 ? 0.5019 0.4523 0.4500 -0.0037 -0.0008 -0.0362 121 GLU B CD 4107 O OE1 . GLU B 122 ? 0.5655 0.5140 0.5075 -0.0038 -0.0056 -0.0386 121 GLU B OE1 4108 O OE2 . GLU B 122 ? 0.5714 0.5163 0.5171 -0.0034 0.0047 -0.0363 121 GLU B OE2 4109 N N . ASP B 123 ? 0.2561 0.2203 0.2296 -0.0021 0.0129 -0.0286 122 ASP B N 4110 C CA . ASP B 123 ? 0.2538 0.2207 0.2344 -0.0022 0.0179 -0.0286 122 ASP B CA 4111 C C . ASP B 123 ? 0.2426 0.2121 0.2247 -0.0022 0.0185 -0.0264 122 ASP B C 4112 O O . ASP B 123 ? 0.2328 0.2053 0.2216 -0.0028 0.0223 -0.0269 122 ASP B O 4113 C CB . ASP B 123 ? 0.2762 0.2377 0.2529 -0.0025 0.0242 -0.0313 122 ASP B CB 4114 C CG . ASP B 123 ? 0.3030 0.2544 0.2642 -0.0030 0.0265 -0.0313 122 ASP B CG 4115 O OD1 . ASP B 123 ? 0.3138 0.2625 0.2674 -0.0021 0.0222 -0.0293 122 ASP B OD1 4116 O OD2 . ASP B 123 ? 0.3334 0.2789 0.2894 -0.0038 0.0325 -0.0336 122 ASP B OD2 4117 N N . VAL B 124 ? 0.2321 0.2005 0.2083 -0.0014 0.0145 -0.0246 123 VAL B N 4118 C CA . VAL B 124 ? 0.2319 0.2035 0.2107 -0.0010 0.0136 -0.0224 123 VAL B CA 4119 C C . VAL B 124 ? 0.2265 0.2044 0.2095 -0.0002 0.0073 -0.0215 123 VAL B C 4120 O O . VAL B 124 ? 0.2423 0.2191 0.2201 0.0006 0.0033 -0.0224 123 VAL B O 4121 C CB . VAL B 124 ? 0.2517 0.2148 0.2182 -0.0003 0.0159 -0.0214 123 VAL B CB 4122 C CG1 . VAL B 124 ? 0.2716 0.2272 0.2246 0.0018 0.0119 -0.0216 123 VAL B CG1 4123 C CG2 . VAL B 124 ? 0.2506 0.2170 0.2206 0.0002 0.0149 -0.0192 123 VAL B CG2 4124 N N . ARG B 125 ? 0.2159 0.2004 0.2085 -0.0007 0.0067 -0.0204 124 ARG B N 4125 C CA . ARG B 125 ? 0.2197 0.2104 0.2173 -0.0009 0.0023 -0.0200 124 ARG B CA 4126 C C . ARG B 125 ? 0.2189 0.2134 0.2206 -0.0003 0.0021 -0.0180 124 ARG B C 4127 O O . ARG B 125 ? 0.2148 0.2088 0.2193 -0.0006 0.0051 -0.0171 124 ARG B O 4128 C CB . ARG B 125 ? 0.2190 0.2120 0.2228 -0.0029 0.0018 -0.0209 124 ARG B CB 4129 C CG . ARG B 125 ? 0.2408 0.2295 0.2406 -0.0037 0.0020 -0.0230 124 ARG B CG 4130 C CD . ARG B 125 ? 0.2414 0.2302 0.2448 -0.0057 0.0011 -0.0239 124 ARG B CD 4131 N NE . ARG B 125 ? 0.2517 0.2349 0.2509 -0.0060 0.0020 -0.0259 124 ARG B NE 4132 C CZ . ARG B 125 ? 0.2804 0.2605 0.2794 -0.0078 0.0014 -0.0271 124 ARG B CZ 4133 N NH1 . ARG B 125 ? 0.2889 0.2705 0.2912 -0.0100 0.0003 -0.0265 124 ARG B NH1 4134 N NH2 . ARG B 125 ? 0.2850 0.2592 0.2794 -0.0076 0.0024 -0.0289 124 ARG B NH2 4135 N N . GLY B 126 ? 0.2144 0.2131 0.2170 0.0005 -0.0013 -0.0180 125 GLY B N 4136 C CA . GLY B 126 ? 0.2199 0.2226 0.2268 0.0011 -0.0017 -0.0164 125 GLY B CA 4137 C C . GLY B 126 ? 0.2146 0.2222 0.2296 -0.0012 -0.0018 -0.0163 125 GLY B C 4138 O O . GLY B 126 ? 0.2117 0.2209 0.2288 -0.0033 -0.0027 -0.0179 125 GLY B O 4139 N N . ALA B 127 ? 0.1913 0.1998 0.2092 -0.0010 -0.0006 -0.0145 126 ALA B N 4140 C CA . ALA B 127 ? 0.1883 0.1995 0.2112 -0.0028 -0.0007 -0.0141 126 ALA B CA 4141 C C . ALA B 127 ? 0.1864 0.2016 0.2109 -0.0018 -0.0015 -0.0134 126 ALA B C 4142 O O . ALA B 127 ? 0.1902 0.2046 0.2157 -0.0015 -0.0006 -0.0118 126 ALA B O 4143 C CB . ALA B 127 ? 0.1813 0.1891 0.2057 -0.0030 0.0008 -0.0131 126 ALA B CB 4144 N N . PRO B 128 ? 0.1903 0.2103 0.2153 -0.0009 -0.0036 -0.0153 127 PRO B N 4145 C CA . PRO B 128 ? 0.1916 0.2166 0.2194 0.0003 -0.0045 -0.0156 127 PRO B CA 4146 C C . PRO B 128 ? 0.1892 0.2167 0.2217 -0.0030 -0.0025 -0.0158 127 PRO B C 4147 O O . PRO B 128 ? 0.1825 0.2086 0.2160 -0.0066 -0.0012 -0.0165 127 PRO B O 4148 C CB . PRO B 128 ? 0.1875 0.2184 0.2165 0.0021 -0.0079 -0.0191 127 PRO B CB 4149 C CG . PRO B 128 ? 0.1913 0.2219 0.2208 -0.0008 -0.0079 -0.0209 127 PRO B CG 4150 C CD . PRO B 128 ? 0.1848 0.2068 0.2092 -0.0012 -0.0057 -0.0181 127 PRO B CD 4151 N N . TYR B 129 ? 0.1842 0.2140 0.2182 -0.0018 -0.0021 -0.0152 128 TYR B N 4152 C CA . TYR B 129 ? 0.1886 0.2190 0.2250 -0.0050 0.0003 -0.0153 128 TYR B CA 4153 C C . TYR B 129 ? 0.1795 0.2161 0.2193 -0.0034 0.0004 -0.0167 128 TYR B C 4154 O O . TYR B 129 ? 0.1724 0.2118 0.2120 0.0009 -0.0019 -0.0173 128 TYR B O 4155 C CB . TYR B 129 ? 0.1872 0.2094 0.2196 -0.0055 0.0016 -0.0120 128 TYR B CB 4156 C CG . TYR B 129 ? 0.1858 0.2056 0.2159 -0.0021 0.0008 -0.0098 128 TYR B CG 4157 C CD1 . TYR B 129 ? 0.1911 0.2083 0.2190 -0.0004 0.0001 -0.0091 128 TYR B CD1 4158 C CD2 . TYR B 129 ? 0.1835 0.2029 0.2130 -0.0012 0.0015 -0.0088 128 TYR B CD2 4159 C CE1 . TYR B 129 ? 0.1952 0.2094 0.2205 0.0015 0.0004 -0.0076 128 TYR B CE1 4160 C CE2 . TYR B 129 ? 0.1783 0.1947 0.2051 0.0011 0.0011 -0.0071 128 TYR B CE2 4161 C CZ . TYR B 129 ? 0.1949 0.2087 0.2197 0.0022 0.0007 -0.0066 128 TYR B CZ 4162 O OH . TYR B 129 ? 0.1965 0.2064 0.2181 0.0036 0.0013 -0.0054 128 TYR B OH 4163 N N . ASP B 130 ? 0.1772 0.2149 0.2191 -0.0068 0.0035 -0.0177 129 ASP B N 4164 C CA . ASP B 130 ? 0.1890 0.2329 0.2347 -0.0054 0.0045 -0.0195 129 ASP B CA 4165 C C . ASP B 130 ? 0.1821 0.2194 0.2223 -0.0026 0.0044 -0.0157 129 ASP B C 4166 O O . ASP B 130 ? 0.1964 0.2273 0.2329 -0.0049 0.0067 -0.0137 129 ASP B O 4167 C CB . ASP B 130 ? 0.2006 0.2471 0.2495 -0.0109 0.0090 -0.0222 129 ASP B CB 4168 C CG . ASP B 130 ? 0.2272 0.2822 0.2819 -0.0096 0.0105 -0.0254 129 ASP B CG 4169 O OD1 . ASP B 130 ? 0.2200 0.2759 0.2740 -0.0038 0.0078 -0.0243 129 ASP B OD1 4170 O OD2 . ASP B 130 ? 0.2323 0.2926 0.2922 -0.0144 0.0147 -0.0294 129 ASP B OD2 4171 N N . TRP B 131 ? 0.1752 0.2123 0.2135 0.0023 0.0015 -0.0148 130 TRP B N 4172 C CA . TRP B 131 ? 0.1799 0.2101 0.2126 0.0046 0.0013 -0.0115 130 TRP B CA 4173 C C . TRP B 131 ? 0.1919 0.2230 0.2247 0.0056 0.0029 -0.0118 130 TRP B C 4174 O O . TRP B 131 ? 0.1945 0.2194 0.2224 0.0071 0.0029 -0.0093 130 TRP B O 4175 C CB . TRP B 131 ? 0.1900 0.2174 0.2182 0.0089 -0.0013 -0.0107 130 TRP B CB 4176 C CG . TRP B 131 ? 0.1859 0.2196 0.2162 0.0125 -0.0042 -0.0139 130 TRP B CG 4177 C CD1 . TRP B 131 ? 0.1884 0.2236 0.2188 0.0130 -0.0065 -0.0154 130 TRP B CD1 4178 C CD2 . TRP B 131 ? 0.1877 0.2273 0.2206 0.0167 -0.0059 -0.0167 130 TRP B CD2 4179 N NE1 . TRP B 131 ? 0.1953 0.2368 0.2278 0.0173 -0.0100 -0.0190 130 TRP B NE1 4180 C CE2 . TRP B 131 ? 0.1890 0.2338 0.2237 0.0200 -0.0099 -0.0201 130 TRP B CE2 4181 C CE3 . TRP B 131 ? 0.1983 0.2391 0.2321 0.0185 -0.0047 -0.0171 130 TRP B CE3 4182 C CZ2 . TRP B 131 ? 0.1955 0.2478 0.2339 0.0255 -0.0133 -0.0243 130 TRP B CZ2 4183 C CZ3 . TRP B 131 ? 0.2010 0.2490 0.2384 0.0238 -0.0074 -0.0210 130 TRP B CZ3 4184 C CH2 . TRP B 131 ? 0.2007 0.2547 0.2407 0.0275 -0.0120 -0.0248 130 TRP B CH2 4185 N N . ARG B 132 ? 0.1887 0.2274 0.2274 0.0044 0.0047 -0.0152 131 ARG B N 4186 C CA . ARG B 132 ? 0.2012 0.2404 0.2399 0.0045 0.0073 -0.0159 131 ARG B CA 4187 C C . ARG B 132 ? 0.2083 0.2390 0.2417 0.0001 0.0104 -0.0133 131 ARG B C 4188 O O . ARG B 132 ? 0.2071 0.2339 0.2369 0.0006 0.0121 -0.0124 131 ARG B O 4189 C CB . ARG B 132 ? 0.2093 0.2603 0.2571 0.0039 0.0091 -0.0214 131 ARG B CB 4190 C CG . ARG B 132 ? 0.2121 0.2721 0.2652 0.0096 0.0046 -0.0248 131 ARG B CG 4191 C CD . ARG B 132 ? 0.2119 0.2862 0.2770 0.0084 0.0059 -0.0317 131 ARG B CD 4192 N NE . ARG B 132 ? 0.2133 0.2893 0.2817 0.0010 0.0091 -0.0331 131 ARG B NE 4193 C CZ . ARG B 132 ? 0.2298 0.3162 0.3079 -0.0034 0.0129 -0.0390 131 ARG B CZ 4194 N NH1 . ARG B 132 ? 0.2237 0.3218 0.3110 -0.0011 0.0138 -0.0446 131 ARG B NH1 4195 N NH2 . ARG B 132 ? 0.2378 0.3225 0.3162 -0.0107 0.0161 -0.0397 131 ARG B NH2 4196 N N . ARG B 133 ? 0.2041 0.2307 0.2358 -0.0035 0.0108 -0.0123 132 ARG B N 4197 C CA . ARG B 133 ? 0.2278 0.2446 0.2527 -0.0069 0.0128 -0.0103 132 ARG B CA 4198 C C . ARG B 133 ? 0.2222 0.2313 0.2423 -0.0051 0.0095 -0.0069 132 ARG B C 4199 O O . ARG B 133 ? 0.2250 0.2363 0.2474 -0.0029 0.0068 -0.0064 132 ARG B O 4200 C CB . ARG B 133 ? 0.2436 0.2594 0.2686 -0.0121 0.0155 -0.0120 132 ARG B CB 4201 C CG . ARG B 133 ? 0.2668 0.2888 0.2959 -0.0155 0.0205 -0.0160 132 ARG B CG 4202 C CD . ARG B 133 ? 0.3122 0.3355 0.3432 -0.0213 0.0236 -0.0189 132 ARG B CD 4203 N NE . ARG B 133 ? 0.3330 0.3569 0.3640 -0.0265 0.0303 -0.0222 132 ARG B NE 4204 C CZ . ARG B 133 ? 0.3627 0.3893 0.3966 -0.0330 0.0351 -0.0263 132 ARG B CZ 4205 N NH1 . ARG B 133 ? 0.3802 0.4090 0.4170 -0.0346 0.0332 -0.0273 132 ARG B NH1 4206 N NH2 . ARG B 133 ? 0.3812 0.4077 0.4146 -0.0382 0.0422 -0.0295 132 ARG B NH2 4207 N N . ALA B 134 ? 0.2227 0.2225 0.2359 -0.0062 0.0097 -0.0052 133 ALA B N 4208 C CA . ALA B 134 ? 0.2323 0.2256 0.2422 -0.0047 0.0063 -0.0032 133 ALA B CA 4209 C C . ALA B 134 ? 0.2339 0.2218 0.2409 -0.0066 0.0057 -0.0033 133 ALA B C 4210 O O . ALA B 134 ? 0.2387 0.2262 0.2445 -0.0098 0.0085 -0.0044 133 ALA B O 4211 C CB . ALA B 134 ? 0.2483 0.2341 0.2517 -0.0038 0.0056 -0.0019 133 ALA B CB 4212 N N . PRO B 135 ? 0.2288 0.2127 0.2348 -0.0047 0.0021 -0.0026 134 PRO B N 4213 C CA . PRO B 135 ? 0.2434 0.2221 0.2466 -0.0056 0.0010 -0.0029 134 PRO B CA 4214 C C . PRO B 135 ? 0.2606 0.2278 0.2532 -0.0082 0.0027 -0.0026 134 PRO B C 4215 O O . PRO B 135 ? 0.2698 0.2328 0.2595 -0.0100 0.0034 -0.0032 134 PRO B O 4216 C CB . PRO B 135 ? 0.2336 0.2107 0.2383 -0.0022 -0.0033 -0.0030 134 PRO B CB 4217 C CG . PRO B 135 ? 0.2282 0.2136 0.2399 -0.0010 -0.0031 -0.0031 134 PRO B CG 4218 C CD . PRO B 135 ? 0.2272 0.2131 0.2365 -0.0019 -0.0007 -0.0023 134 PRO B CD 4219 N N . ASN B 136 ? 0.2754 0.2359 0.2608 -0.0085 0.0037 -0.0018 135 ASN B N 4220 C CA . ASN B 136 ? 0.3061 0.2527 0.2784 -0.0113 0.0061 -0.0014 135 ASN B CA 4221 C C . ASN B 136 ? 0.3112 0.2600 0.2840 -0.0169 0.0123 -0.0030 135 ASN B C 4222 O O . ASN B 136 ? 0.3337 0.2698 0.2952 -0.0204 0.0149 -0.0030 135 ASN B O 4223 C CB . ASN B 136 ? 0.3212 0.2600 0.2848 -0.0109 0.0067 -0.0004 135 ASN B CB 4224 C CG . ASN B 136 ? 0.3267 0.2758 0.2972 -0.0123 0.0108 -0.0011 135 ASN B CG 4225 O OD1 . ASN B 136 ? 0.3351 0.2974 0.3174 -0.0107 0.0101 -0.0017 135 ASN B OD1 4226 N ND2 . ASN B 136 ? 0.3543 0.2962 0.3162 -0.0148 0.0151 -0.0012 135 ASN B ND2 4227 N N . GLU B 137 ? 0.2915 0.2553 0.2766 -0.0179 0.0145 -0.0047 136 GLU B N 4228 C CA . GLU B 137 ? 0.3038 0.2730 0.2927 -0.0232 0.0198 -0.0075 136 GLU B CA 4229 C C . GLU B 137 ? 0.3120 0.2911 0.3105 -0.0230 0.0182 -0.0091 136 GLU B C 4230 O O . GLU B 137 ? 0.3317 0.3207 0.3379 -0.0260 0.0211 -0.0122 136 GLU B O 4231 C CB . GLU B 137 ? 0.3080 0.2867 0.3031 -0.0243 0.0238 -0.0095 136 GLU B CB 4232 C CG . GLU B 137 ? 0.3409 0.3080 0.3245 -0.0257 0.0270 -0.0085 136 GLU B CG 4233 C CD . GLU B 137 ? 0.3756 0.3515 0.3649 -0.0275 0.0322 -0.0113 136 GLU B CD 4234 O OE1 . GLU B 137 ? 0.3534 0.3398 0.3512 -0.0232 0.0299 -0.0116 136 GLU B OE1 4235 O OE2 . GLU B 137 ? 0.4486 0.4196 0.4329 -0.0334 0.0390 -0.0136 136 GLU B OE2 4236 N N . ASN B 138 ? 0.2895 0.2660 0.2876 -0.0195 0.0134 -0.0074 137 ASN B N 4237 C CA . ASN B 138 ? 0.2706 0.2542 0.2756 -0.0193 0.0119 -0.0087 137 ASN B CA 4238 C C . ASN B 138 ? 0.2883 0.2610 0.2862 -0.0190 0.0099 -0.0079 137 ASN B C 4239 O O . ASN B 138 ? 0.2689 0.2449 0.2710 -0.0166 0.0070 -0.0080 137 ASN B O 4240 C CB . ASN B 138 ? 0.2678 0.2617 0.2814 -0.0147 0.0086 -0.0083 137 ASN B CB 4241 C CG . ASN B 138 ? 0.2745 0.2808 0.2964 -0.0151 0.0100 -0.0107 137 ASN B CG 4242 O OD1 . ASN B 138 ? 0.3292 0.3395 0.3540 -0.0186 0.0120 -0.0135 137 ASN B OD1 4243 N ND2 . ASN B 138 ? 0.2424 0.2542 0.2677 -0.0116 0.0087 -0.0102 137 ASN B ND2 4244 N N . GLY B 139 ? 0.3102 0.2687 0.2961 -0.0216 0.0117 -0.0073 138 GLY B N 4245 C CA . GLY B 139 ? 0.3148 0.2602 0.2914 -0.0209 0.0096 -0.0068 138 GLY B CA 4246 C C . GLY B 139 ? 0.3013 0.2509 0.2824 -0.0228 0.0101 -0.0086 138 GLY B C 4247 O O . GLY B 139 ? 0.2989 0.2467 0.2804 -0.0191 0.0062 -0.0083 138 GLY B O 4248 N N . PRO B 140 ? 0.2980 0.2537 0.2831 -0.0287 0.0147 -0.0111 139 PRO B N 4249 C CA . PRO B 140 ? 0.2847 0.2442 0.2737 -0.0308 0.0149 -0.0133 139 PRO B CA 4250 C C . PRO B 140 ? 0.2649 0.2359 0.2641 -0.0258 0.0106 -0.0132 139 PRO B C 4251 O O . PRO B 140 ? 0.2463 0.2146 0.2445 -0.0247 0.0088 -0.0137 139 PRO B O 4252 C CB . PRO B 140 ? 0.2955 0.2630 0.2899 -0.0376 0.0203 -0.0169 139 PRO B CB 4253 C CG . PRO B 140 ? 0.3155 0.2740 0.3013 -0.0408 0.0246 -0.0162 139 PRO B CG 4254 C CD . PRO B 140 ? 0.3033 0.2605 0.2878 -0.0342 0.0204 -0.0127 139 PRO B CD 4255 N N . TYR B 141 ? 0.2348 0.2165 0.2419 -0.0227 0.0093 -0.0127 140 TYR B N 4256 C CA . TYR B 141 ? 0.2266 0.2161 0.2403 -0.0181 0.0059 -0.0123 140 TYR B CA 4257 C C . TYR B 141 ? 0.2166 0.1992 0.2271 -0.0142 0.0030 -0.0109 140 TYR B C 4258 O O . TYR B 141 ? 0.2159 0.2006 0.2288 -0.0127 0.0018 -0.0118 140 TYR B O 4259 C CB . TYR B 141 ? 0.2135 0.2115 0.2328 -0.0154 0.0053 -0.0116 140 TYR B CB 4260 C CG . TYR B 141 ? 0.2037 0.2060 0.2267 -0.0111 0.0028 -0.0108 140 TYR B CG 4261 C CD1 . TYR B 141 ? 0.2078 0.2167 0.2345 -0.0104 0.0021 -0.0123 140 TYR B CD1 4262 C CD2 . TYR B 141 ? 0.1898 0.1890 0.2119 -0.0081 0.0013 -0.0091 140 TYR B CD2 4263 C CE1 . TYR B 141 ? 0.1957 0.2061 0.2234 -0.0071 0.0008 -0.0116 140 TYR B CE1 4264 C CE2 . TYR B 141 ? 0.1900 0.1927 0.2153 -0.0054 0.0003 -0.0089 140 TYR B CE2 4265 C CZ . TYR B 141 ? 0.1862 0.1935 0.2133 -0.0051 0.0005 -0.0100 140 TYR B CZ 4266 O OH . TYR B 141 ? 0.1924 0.2007 0.2202 -0.0030 0.0005 -0.0098 140 TYR B OH 4267 N N . PHE B 142 ? 0.2208 0.1953 0.2258 -0.0123 0.0017 -0.0093 141 PHE B N 4268 C CA . PHE B 142 ? 0.2138 0.1836 0.2176 -0.0077 -0.0017 -0.0091 141 PHE B CA 4269 C C . PHE B 142 ? 0.2306 0.1912 0.2283 -0.0079 -0.0024 -0.0101 141 PHE B C 4270 O O . PHE B 142 ? 0.2151 0.1763 0.2156 -0.0043 -0.0046 -0.0111 141 PHE B O 4271 C CB . PHE B 142 ? 0.2288 0.1926 0.2285 -0.0049 -0.0041 -0.0079 141 PHE B CB 4272 C CG . PHE B 142 ? 0.2210 0.1933 0.2268 -0.0041 -0.0039 -0.0071 141 PHE B CG 4273 C CD1 . PHE B 142 ? 0.2172 0.1986 0.2316 -0.0020 -0.0046 -0.0078 141 PHE B CD1 4274 C CD2 . PHE B 142 ? 0.2340 0.2044 0.2360 -0.0061 -0.0021 -0.0059 141 PHE B CD2 4275 C CE1 . PHE B 142 ? 0.2184 0.2057 0.2367 -0.0016 -0.0041 -0.0071 141 PHE B CE1 4276 C CE2 . PHE B 142 ? 0.2254 0.2026 0.2322 -0.0051 -0.0019 -0.0053 141 PHE B CE2 4277 C CZ . PHE B 142 ? 0.2188 0.2041 0.2334 -0.0028 -0.0031 -0.0058 141 PHE B CZ 4278 N N . LEU B 143 ? 0.2276 0.1793 0.2168 -0.0122 0.0000 -0.0101 142 LEU B N 4279 C CA . LEU B 143 ? 0.2687 0.2104 0.2508 -0.0130 0.0000 -0.0112 142 LEU B CA 4280 C C . LEU B 143 ? 0.2486 0.1997 0.2384 -0.0139 0.0005 -0.0130 142 LEU B C 4281 O O . LEU B 143 ? 0.2404 0.1881 0.2293 -0.0111 -0.0012 -0.0139 142 LEU B O 4282 C CB . LEU B 143 ? 0.3147 0.2437 0.2849 -0.0188 0.0036 -0.0112 142 LEU B CB 4283 C CG . LEU B 143 ? 0.3681 0.2844 0.3288 -0.0205 0.0041 -0.0123 142 LEU B CG 4284 C CD1 . LEU B 143 ? 0.3971 0.3021 0.3508 -0.0132 -0.0011 -0.0118 142 LEU B CD1 4285 C CD2 . LEU B 143 ? 0.4052 0.3078 0.3531 -0.0280 0.0092 -0.0128 142 LEU B CD2 4286 N N . ALA B 144 ? 0.2349 0.1974 0.2320 -0.0173 0.0029 -0.0138 143 ALA B N 4287 C CA . ALA B 144 ? 0.2324 0.2032 0.2355 -0.0179 0.0028 -0.0157 143 ALA B CA 4288 C C . ALA B 144 ? 0.2272 0.2032 0.2356 -0.0125 0.0006 -0.0153 143 ALA B C 4289 O O . ALA B 144 ? 0.2253 0.2013 0.2340 -0.0116 0.0002 -0.0167 143 ALA B O 4290 C CB . ALA B 144 ? 0.2380 0.2201 0.2477 -0.0212 0.0045 -0.0171 143 ALA B CB 4291 N N . LEU B 145 ? 0.2076 0.1876 0.2196 -0.0096 -0.0003 -0.0139 144 LEU B N 4292 C CA . LEU B 145 ? 0.2044 0.1890 0.2214 -0.0057 -0.0013 -0.0141 144 LEU B CA 4293 C C . LEU B 145 ? 0.2154 0.1937 0.2308 -0.0024 -0.0029 -0.0154 144 LEU B C 4294 O O . LEU B 145 ? 0.1977 0.1784 0.2159 -0.0009 -0.0025 -0.0170 144 LEU B O 4295 C CB . LEU B 145 ? 0.2042 0.1929 0.2247 -0.0040 -0.0017 -0.0128 144 LEU B CB 4296 C CG . LEU B 145 ? 0.2053 0.1986 0.2313 -0.0011 -0.0018 -0.0135 144 LEU B CG 4297 C CD1 . LEU B 145 ? 0.2058 0.2036 0.2333 -0.0017 0.0000 -0.0143 144 LEU B CD1 4298 C CD2 . LEU B 145 ? 0.2169 0.2131 0.2453 -0.0003 -0.0021 -0.0123 144 LEU B CD2 4299 N N . ARG B 146 ? 0.2235 0.1929 0.2333 -0.0011 -0.0049 -0.0149 145 ARG B N 4300 C CA . ARG B 146 ? 0.2531 0.2154 0.2604 0.0030 -0.0075 -0.0166 145 ARG B CA 4301 C C . ARG B 146 ? 0.2457 0.2038 0.2494 0.0017 -0.0063 -0.0180 145 ARG B C 4302 O O . ARG B 146 ? 0.2392 0.1984 0.2460 0.0050 -0.0069 -0.0202 145 ARG B O 4303 C CB . ARG B 146 ? 0.2926 0.2427 0.2907 0.0049 -0.0104 -0.0157 145 ARG B CB 4304 C CG . ARG B 146 ? 0.3587 0.3000 0.3528 0.0106 -0.0144 -0.0178 145 ARG B CG 4305 C CD . ARG B 146 ? 0.4140 0.3407 0.3961 0.0132 -0.0180 -0.0167 145 ARG B CD 4306 N NE . ARG B 146 ? 0.5106 0.4247 0.4846 0.0185 -0.0220 -0.0186 145 ARG B NE 4307 C CZ . ARG B 146 ? 0.5720 0.4820 0.5453 0.0264 -0.0282 -0.0209 145 ARG B CZ 4308 N NH1 . ARG B 146 ? 0.5585 0.4764 0.5395 0.0294 -0.0313 -0.0217 145 ARG B NH1 4309 N NH2 . ARG B 146 ? 0.5986 0.4959 0.5633 0.0316 -0.0318 -0.0228 145 ARG B NH2 4310 N N . GLU B 147 ? 0.2423 0.1955 0.2397 -0.0031 -0.0044 -0.0172 146 GLU B N 4311 C CA . GLU B 147 ? 0.2696 0.2184 0.2630 -0.0051 -0.0033 -0.0188 146 GLU B CA 4312 C C . GLU B 147 ? 0.2430 0.2018 0.2436 -0.0050 -0.0021 -0.0202 146 GLU B C 4313 O O . GLU B 147 ? 0.2422 0.1976 0.2409 -0.0036 -0.0021 -0.0220 146 GLU B O 4314 C CB . GLU B 147 ? 0.2999 0.2429 0.2864 -0.0117 -0.0009 -0.0185 146 GLU B CB 4315 C CG . GLU B 147 ? 0.3551 0.2826 0.3298 -0.0119 -0.0013 -0.0173 146 GLU B CG 4316 C CD . GLU B 147 ? 0.4327 0.3540 0.4003 -0.0197 0.0025 -0.0174 146 GLU B CD 4317 O OE1 . GLU B 147 ? 0.4710 0.4038 0.4461 -0.0245 0.0051 -0.0184 146 GLU B OE1 4318 O OE2 . GLU B 147 ? 0.5303 0.4345 0.4843 -0.0208 0.0030 -0.0169 146 GLU B OE2 4319 N N . MET B 148 ? 0.2271 0.1963 0.2338 -0.0063 -0.0010 -0.0195 147 MET B N 4320 C CA . MET B 148 ? 0.2258 0.2018 0.2360 -0.0062 0.0000 -0.0206 147 MET B CA 4321 C C . MET B 148 ? 0.2102 0.1875 0.2240 -0.0019 0.0003 -0.0218 147 MET B C 4322 O O . MET B 148 ? 0.2088 0.1855 0.2218 -0.0013 0.0015 -0.0236 147 MET B O 4323 C CB . MET B 148 ? 0.2262 0.2109 0.2403 -0.0075 0.0003 -0.0195 147 MET B CB 4324 C CG . MET B 148 ? 0.2499 0.2386 0.2643 -0.0069 0.0010 -0.0205 147 MET B CG 4325 S SD . MET B 148 ? 0.2616 0.2580 0.2777 -0.0077 0.0002 -0.0198 147 MET B SD 4326 C CE . MET B 148 ? 0.2564 0.2553 0.2760 -0.0054 0.0010 -0.0176 147 MET B CE 4327 N N . ILE B 149 ? 0.2003 0.1794 0.2182 0.0007 -0.0005 -0.0213 148 ILE B N 4328 C CA . ILE B 149 ? 0.2015 0.1835 0.2252 0.0044 0.0000 -0.0237 148 ILE B CA 4329 C C . ILE B 149 ? 0.2159 0.1916 0.2372 0.0073 -0.0009 -0.0263 148 ILE B C 4330 O O . ILE B 149 ? 0.2130 0.1909 0.2373 0.0087 0.0011 -0.0289 148 ILE B O 4331 C CB . ILE B 149 ? 0.1911 0.1766 0.2204 0.0067 -0.0015 -0.0236 148 ILE B CB 4332 C CG1 . ILE B 149 ? 0.1848 0.1768 0.2167 0.0043 0.0003 -0.0217 148 ILE B CG1 4333 C CG2 . ILE B 149 ? 0.1949 0.1837 0.2315 0.0108 -0.0017 -0.0275 148 ILE B CG2 4334 C CD1 . ILE B 149 ? 0.1757 0.1700 0.2113 0.0056 -0.0015 -0.0210 148 ILE B CD1 4335 N N . GLU B 150 ? 0.2276 0.1939 0.2423 0.0081 -0.0038 -0.0256 149 GLU B N 4336 C CA . GLU B 150 ? 0.2430 0.2009 0.2533 0.0113 -0.0052 -0.0279 149 GLU B CA 4337 C C . GLU B 150 ? 0.2569 0.2129 0.2636 0.0088 -0.0026 -0.0290 149 GLU B C 4338 O O . GLU B 150 ? 0.2606 0.2151 0.2681 0.0118 -0.0019 -0.0319 149 GLU B O 4339 C CB . GLU B 150 ? 0.2666 0.2114 0.2668 0.0121 -0.0085 -0.0265 149 GLU B CB 4340 C CG . GLU B 150 ? 0.2836 0.2283 0.2858 0.0162 -0.0121 -0.0262 149 GLU B CG 4341 C CD . GLU B 150 ? 0.3402 0.2684 0.3289 0.0176 -0.0155 -0.0249 149 GLU B CD 4342 O OE1 . GLU B 150 ? 0.4090 0.3256 0.3870 0.0151 -0.0144 -0.0244 149 GLU B OE1 4343 O OE2 . GLU B 150 ? 0.3276 0.2530 0.3153 0.0215 -0.0194 -0.0247 149 GLU B OE2 4344 N N . GLU B 151 ? 0.2554 0.2116 0.2582 0.0033 -0.0012 -0.0271 150 GLU B N 4345 C CA A GLU B 151 ? 0.2589 0.2135 0.2578 0.0007 0.0004 -0.0283 150 GLU B CA 4346 C CA B GLU B 151 ? 0.2628 0.2174 0.2618 0.0008 0.0004 -0.0283 150 GLU B CA 4347 C C . GLU B 151 ? 0.2509 0.2125 0.2547 0.0022 0.0030 -0.0299 150 GLU B C 4348 O O . GLU B 151 ? 0.2381 0.1960 0.2389 0.0030 0.0043 -0.0322 150 GLU B O 4349 C CB A GLU B 151 ? 0.2749 0.2311 0.2712 -0.0050 0.0006 -0.0269 150 GLU B CB 4350 C CB B GLU B 151 ? 0.2860 0.2419 0.2821 -0.0049 0.0006 -0.0269 150 GLU B CB 4351 C CG A GLU B 151 ? 0.2947 0.2514 0.2881 -0.0076 0.0015 -0.0286 150 GLU B CG 4352 C CG B GLU B 151 ? 0.3207 0.2674 0.3100 -0.0079 -0.0001 -0.0262 150 GLU B CG 4353 C CD A GLU B 151 ? 0.3138 0.2741 0.3067 -0.0129 0.0009 -0.0285 150 GLU B CD 4354 C CD B GLU B 151 ? 0.3427 0.2929 0.3317 -0.0142 0.0007 -0.0263 150 GLU B CD 4355 O OE1 A GLU B 151 ? 0.3371 0.2935 0.3277 -0.0163 0.0009 -0.0282 150 GLU B OE1 4356 O OE1 B GLU B 151 ? 0.3810 0.3420 0.3763 -0.0148 0.0008 -0.0258 150 GLU B OE1 4357 O OE2 A GLU B 151 ? 0.3234 0.2899 0.3177 -0.0136 0.0006 -0.0294 150 GLU B OE2 4358 O OE2 B GLU B 151 ? 0.3761 0.3179 0.3584 -0.0183 0.0014 -0.0272 150 GLU B OE2 4359 N N . MET B 152 ? 0.2156 0.1855 0.2252 0.0021 0.0041 -0.0289 151 MET B N 4360 C CA . MET B 152 ? 0.2260 0.2002 0.2378 0.0026 0.0075 -0.0303 151 MET B CA 4361 C C . MET B 152 ? 0.2243 0.1989 0.2410 0.0064 0.0094 -0.0338 151 MET B C 4362 O O . MET B 152 ? 0.2333 0.2071 0.2487 0.0066 0.0128 -0.0362 151 MET B O 4363 C CB . MET B 152 ? 0.2206 0.2015 0.2361 0.0015 0.0085 -0.0284 151 MET B CB 4364 C CG . MET B 152 ? 0.2332 0.2149 0.2444 -0.0013 0.0068 -0.0260 151 MET B CG 4365 S SD . MET B 152 ? 0.2435 0.2312 0.2577 -0.0016 0.0073 -0.0237 151 MET B SD 4366 C CE . MET B 152 ? 0.2450 0.2308 0.2542 -0.0015 0.0114 -0.0249 151 MET B CE 4367 N N . TYR B 153 ? 0.2222 0.1977 0.2443 0.0097 0.0070 -0.0346 152 TYR B N 4368 C CA . TYR B 153 ? 0.2284 0.2059 0.2573 0.0144 0.0076 -0.0391 152 TYR B CA 4369 C C . TYR B 153 ? 0.2416 0.2112 0.2645 0.0161 0.0077 -0.0413 152 TYR B C 4370 O O . TYR B 153 ? 0.2421 0.2137 0.2683 0.0179 0.0112 -0.0453 152 TYR B O 4371 C CB . TYR B 153 ? 0.2281 0.2061 0.2616 0.0184 0.0029 -0.0395 152 TYR B CB 4372 C CG . TYR B 153 ? 0.2420 0.2206 0.2815 0.0247 0.0010 -0.0446 152 TYR B CG 4373 C CD1 . TYR B 153 ? 0.2466 0.2364 0.2993 0.0269 0.0031 -0.0493 152 TYR B CD1 4374 C CD2 . TYR B 153 ? 0.2604 0.2282 0.2924 0.0286 -0.0026 -0.0453 152 TYR B CD2 4375 C CE1 . TYR B 153 ? 0.2617 0.2540 0.3219 0.0335 0.0011 -0.0552 152 TYR B CE1 4376 C CE2 . TYR B 153 ? 0.2767 0.2446 0.3139 0.0357 -0.0051 -0.0505 152 TYR B CE2 4377 C CZ . TYR B 153 ? 0.2774 0.2585 0.3296 0.0384 -0.0035 -0.0557 152 TYR B CZ 4378 O OH . TYR B 153 ? 0.3061 0.2891 0.3652 0.0460 -0.0063 -0.0619 152 TYR B OH 4379 N N . GLN B 154 ? 0.2575 0.2175 0.2710 0.0151 0.0046 -0.0391 153 GLN B N 4380 C CA . GLN B 154 ? 0.2678 0.2185 0.2740 0.0163 0.0045 -0.0410 153 GLN B CA 4381 C C . GLN B 154 ? 0.2924 0.2427 0.2942 0.0129 0.0083 -0.0416 153 GLN B C 4382 O O . GLN B 154 ? 0.2925 0.2391 0.2924 0.0151 0.0102 -0.0448 153 GLN B O 4383 C CB . GLN B 154 ? 0.2824 0.2215 0.2784 0.0150 0.0008 -0.0387 153 GLN B CB 4384 C CG . GLN B 154 ? 0.2870 0.2222 0.2838 0.0199 -0.0033 -0.0387 153 GLN B CG 4385 C CD . GLN B 154 ? 0.3195 0.2381 0.3027 0.0199 -0.0061 -0.0376 153 GLN B CD 4386 O OE1 . GLN B 154 ? 0.3520 0.2651 0.3274 0.0137 -0.0050 -0.0353 153 GLN B OE1 4387 N NE2 . GLN B 154 ? 0.3155 0.2256 0.2954 0.0269 -0.0098 -0.0399 153 GLN B NE2 4388 N N . LEU B 155 ? 0.2939 0.2471 0.2932 0.0080 0.0090 -0.0388 154 LEU B N 4389 C CA . LEU B 155 ? 0.3303 0.2817 0.3234 0.0051 0.0114 -0.0393 154 LEU B CA 4390 C C . LEU B 155 ? 0.3307 0.2862 0.3267 0.0063 0.0164 -0.0416 154 LEU B C 4391 O O . LEU B 155 ? 0.3416 0.2923 0.3321 0.0064 0.0191 -0.0439 154 LEU B O 4392 C CB . LEU B 155 ? 0.3424 0.2963 0.3324 0.0008 0.0098 -0.0364 154 LEU B CB 4393 C CG . LEU B 155 ? 0.3910 0.3406 0.3765 -0.0024 0.0064 -0.0352 154 LEU B CG 4394 C CD1 . LEU B 155 ? 0.4108 0.3667 0.3974 -0.0058 0.0049 -0.0333 154 LEU B CD1 4395 C CD2 . LEU B 155 ? 0.4232 0.3644 0.4004 -0.0038 0.0063 -0.0375 154 LEU B CD2 4396 N N . TYR B 156 ? 0.3277 0.2910 0.3316 0.0067 0.0182 -0.0412 155 TYR B N 4397 C CA . TYR B 156 ? 0.3458 0.3121 0.3511 0.0061 0.0242 -0.0433 155 TYR B CA 4398 C C . TYR B 156 ? 0.3646 0.3363 0.3806 0.0095 0.0275 -0.0481 155 TYR B C 4399 O O . TYR B 156 ? 0.3980 0.3724 0.4163 0.0084 0.0337 -0.0508 155 TYR B O 4400 C CB . TYR B 156 ? 0.3347 0.3045 0.3390 0.0032 0.0250 -0.0402 155 TYR B CB 4401 C CG . TYR B 156 ? 0.3229 0.2893 0.3189 0.0011 0.0206 -0.0366 155 TYR B CG 4402 C CD1 . TYR B 156 ? 0.3420 0.3015 0.3273 0.0000 0.0202 -0.0370 155 TYR B CD1 4403 C CD2 . TYR B 156 ? 0.3029 0.2733 0.3022 0.0004 0.0166 -0.0337 155 TYR B CD2 4404 C CE1 . TYR B 156 ? 0.3325 0.2909 0.3125 -0.0018 0.0154 -0.0351 155 TYR B CE1 4405 C CE2 . TYR B 156 ? 0.3004 0.2697 0.2945 -0.0015 0.0127 -0.0316 155 TYR B CE2 4406 C CZ . TYR B 156 ? 0.3206 0.2845 0.3059 -0.0026 0.0119 -0.0327 155 TYR B CZ 4407 O OH . TYR B 156 ? 0.3237 0.2886 0.3060 -0.0044 0.0076 -0.0318 155 TYR B OH 4408 N N . GLY B 157 ? 0.3727 0.3452 0.3945 0.0136 0.0235 -0.0496 156 GLY B N 4409 C CA . GLY B 157 ? 0.3725 0.3495 0.4043 0.0182 0.0252 -0.0554 156 GLY B CA 4410 C C . GLY B 157 ? 0.3499 0.3386 0.3959 0.0194 0.0265 -0.0582 156 GLY B C 4411 O O . GLY B 157 ? 0.3836 0.3791 0.4400 0.0222 0.0297 -0.0644 156 GLY B O 4412 N N . GLY B 158 ? 0.3056 0.2975 0.3529 0.0171 0.0242 -0.0543 157 GLY B N 4413 C CA . GLY B 158 ? 0.2792 0.2818 0.3398 0.0183 0.0244 -0.0571 157 GLY B CA 4414 C C . GLY B 158 ? 0.2570 0.2608 0.3167 0.0162 0.0209 -0.0522 157 GLY B C 4415 O O . GLY B 158 ? 0.2506 0.2481 0.3000 0.0134 0.0190 -0.0467 157 GLY B O 4416 N N . PRO B 159 ? 0.2349 0.2477 0.3064 0.0175 0.0200 -0.0548 158 PRO B N 4417 C CA . PRO B 159 ? 0.2345 0.2483 0.3054 0.0161 0.0165 -0.0507 158 PRO B CA 4418 C C . PRO B 159 ? 0.2324 0.2451 0.2972 0.0101 0.0210 -0.0467 158 PRO B C 4419 O O . PRO B 159 ? 0.2318 0.2442 0.2943 0.0068 0.0276 -0.0481 158 PRO B O 4420 C CB . PRO B 159 ? 0.2256 0.2497 0.3113 0.0191 0.0147 -0.0559 158 PRO B CB 4421 C CG . PRO B 159 ? 0.2369 0.2681 0.3326 0.0200 0.0202 -0.0633 158 PRO B CG 4422 C CD . PRO B 159 ? 0.2435 0.2663 0.3301 0.0212 0.0212 -0.0626 158 PRO B CD 4423 N N . VAL B 160 ? 0.2327 0.2438 0.2937 0.0091 0.0172 -0.0420 159 VAL B N 4424 C CA . VAL B 160 ? 0.2437 0.2518 0.2966 0.0049 0.0192 -0.0375 159 VAL B CA 4425 C C . VAL B 160 ? 0.2229 0.2362 0.2810 0.0025 0.0220 -0.0381 159 VAL B C 4426 O O . VAL B 160 ? 0.2156 0.2351 0.2835 0.0042 0.0198 -0.0404 159 VAL B O 4427 C CB . VAL B 160 ? 0.2736 0.2771 0.3196 0.0052 0.0137 -0.0326 159 VAL B CB 4428 C CG1 . VAL B 160 ? 0.3121 0.3140 0.3516 0.0021 0.0145 -0.0286 159 VAL B CG1 4429 C CG2 . VAL B 160 ? 0.2941 0.2913 0.3338 0.0062 0.0117 -0.0323 159 VAL B CG2 4430 N N . VAL B 161 ? 0.1969 0.2067 0.2476 -0.0011 0.0265 -0.0362 160 VAL B N 4431 C CA . VAL B 161 ? 0.1925 0.2042 0.2447 -0.0039 0.0292 -0.0358 160 VAL B CA 4432 C C . VAL B 161 ? 0.1990 0.2068 0.2435 -0.0038 0.0250 -0.0302 160 VAL B C 4433 O O . VAL B 161 ? 0.2075 0.2094 0.2417 -0.0039 0.0242 -0.0272 160 VAL B O 4434 C CB . VAL B 161 ? 0.2015 0.2092 0.2482 -0.0080 0.0375 -0.0375 160 VAL B CB 4435 C CG1 . VAL B 161 ? 0.2063 0.2130 0.2514 -0.0113 0.0403 -0.0365 160 VAL B CG1 4436 C CG2 . VAL B 161 ? 0.2023 0.2155 0.2587 -0.0086 0.0428 -0.0442 160 VAL B CG2 4437 N N . LEU B 162 ? 0.1960 0.2077 0.2459 -0.0033 0.0220 -0.0294 161 LEU B N 4438 C CA . LEU B 162 ? 0.2112 0.2202 0.2551 -0.0033 0.0188 -0.0248 161 LEU B CA 4439 C C . LEU B 162 ? 0.2028 0.2089 0.2420 -0.0061 0.0230 -0.0241 161 LEU B C 4440 O O . LEU B 162 ? 0.2060 0.2151 0.2512 -0.0082 0.0266 -0.0271 161 LEU B O 4441 C CB . LEU B 162 ? 0.2211 0.2339 0.2714 -0.0013 0.0138 -0.0244 161 LEU B CB 4442 C CG . LEU B 162 ? 0.2533 0.2660 0.3059 0.0016 0.0094 -0.0251 161 LEU B CG 4443 C CD1 . LEU B 162 ? 0.2591 0.2732 0.3158 0.0039 0.0046 -0.0253 161 LEU B CD1 4444 C CD2 . LEU B 162 ? 0.2909 0.2987 0.3350 0.0014 0.0078 -0.0218 161 LEU B CD2 4445 N N . VAL B 163 ? 0.1962 0.1962 0.2246 -0.0061 0.0225 -0.0206 162 VAL B N 4446 C CA . VAL B 163 ? 0.2026 0.1967 0.2232 -0.0080 0.0259 -0.0194 162 VAL B CA 4447 C C . VAL B 163 ? 0.2024 0.1961 0.2199 -0.0060 0.0212 -0.0158 162 VAL B C 4448 O O . VAL B 163 ? 0.2130 0.2058 0.2260 -0.0038 0.0176 -0.0139 162 VAL B O 4449 C CB . VAL B 163 ? 0.2178 0.2024 0.2252 -0.0088 0.0296 -0.0191 162 VAL B CB 4450 C CG1 . VAL B 163 ? 0.2332 0.2084 0.2295 -0.0105 0.0331 -0.0177 162 VAL B CG1 4451 C CG2 . VAL B 163 ? 0.2254 0.2102 0.2355 -0.0109 0.0349 -0.0229 162 VAL B CG2 4452 N N . ALA B 164 ? 0.1929 0.1877 0.2131 -0.0068 0.0214 -0.0155 163 ALA B N 4453 C CA . ALA B 164 ? 0.1938 0.1886 0.2118 -0.0048 0.0173 -0.0126 163 ALA B CA 4454 C C . ALA B 164 ? 0.1995 0.1876 0.2096 -0.0057 0.0196 -0.0113 163 ALA B C 4455 O O . ALA B 164 ? 0.1959 0.1811 0.2056 -0.0089 0.0244 -0.0132 163 ALA B O 4456 C CB . ALA B 164 ? 0.1939 0.1953 0.2215 -0.0042 0.0140 -0.0129 163 ALA B CB 4457 N N . HIS B 165 ? 0.2006 0.1859 0.2041 -0.0028 0.0165 -0.0087 164 HIS B N 4458 C CA . HIS B 165 ? 0.2183 0.1955 0.2124 -0.0025 0.0179 -0.0074 164 HIS B CA 4459 C C . HIS B 165 ? 0.2138 0.1948 0.2118 -0.0009 0.0146 -0.0060 164 HIS B C 4460 O O . HIS B 165 ? 0.1987 0.1857 0.2011 0.0013 0.0107 -0.0053 164 HIS B O 4461 C CB . HIS B 165 ? 0.2320 0.2005 0.2126 0.0005 0.0168 -0.0060 164 HIS B CB 4462 C CG . HIS B 165 ? 0.2464 0.2042 0.2149 0.0018 0.0177 -0.0046 164 HIS B CG 4463 N ND1 . HIS B 165 ? 0.2602 0.2164 0.2233 0.0069 0.0130 -0.0031 164 HIS B ND1 4464 C CD2 . HIS B 165 ? 0.2621 0.2096 0.2223 -0.0013 0.0229 -0.0048 164 HIS B CD2 4465 C CE1 . HIS B 165 ? 0.2789 0.2233 0.2300 0.0075 0.0148 -0.0021 164 HIS B CE1 4466 N NE2 . HIS B 165 ? 0.2803 0.2184 0.2286 0.0021 0.0210 -0.0029 164 HIS B NE2 4467 N N . SER B 166 ? 0.2254 0.2022 0.2211 -0.0027 0.0168 -0.0060 165 SER B N 4468 C CA . SER B 166 ? 0.2370 0.2144 0.2331 -0.0011 0.0144 -0.0047 165 SER B CA 4469 C C . SER B 166 ? 0.2189 0.2058 0.2258 -0.0007 0.0110 -0.0049 165 SER B C 4470 O O . SER B 166 ? 0.2004 0.1918 0.2154 -0.0028 0.0114 -0.0067 165 SER B O 4471 C CB . SER B 166 ? 0.2730 0.2446 0.2587 0.0033 0.0123 -0.0028 165 SER B CB 4472 O OG . SER B 166 ? 0.2990 0.2679 0.2821 0.0044 0.0115 -0.0018 165 SER B OG 4473 N N . MET B 167 ? 0.2125 0.2017 0.2191 0.0021 0.0080 -0.0035 166 MET B N 4474 C CA . MET B 167 ? 0.2289 0.2241 0.2426 0.0020 0.0056 -0.0035 166 MET B CA 4475 C C . MET B 167 ? 0.2048 0.2044 0.2242 0.0011 0.0049 -0.0046 166 MET B C 4476 O O . MET B 167 ? 0.1821 0.1839 0.2060 0.0005 0.0033 -0.0051 166 MET B O 4477 C CB . MET B 167 ? 0.2464 0.2434 0.2586 0.0046 0.0039 -0.0026 166 MET B CB 4478 C CG . MET B 167 ? 0.2701 0.2705 0.2867 0.0037 0.0026 -0.0026 166 MET B CG 4479 S SD . MET B 167 ? 0.2753 0.2783 0.2906 0.0059 0.0023 -0.0025 166 MET B SD 4480 C CE . MET B 167 ? 0.2560 0.2655 0.2751 0.0061 0.0017 -0.0041 166 MET B CE 4481 N N . GLY B 168 ? 0.1990 0.1984 0.2166 0.0013 0.0057 -0.0051 167 GLY B N 4482 C CA . GLY B 168 ? 0.1884 0.1909 0.2106 0.0005 0.0054 -0.0063 167 GLY B CA 4483 C C . GLY B 168 ? 0.1869 0.1906 0.2149 -0.0010 0.0060 -0.0081 167 GLY B C 4484 O O . GLY B 168 ? 0.1864 0.1923 0.2188 -0.0009 0.0045 -0.0092 167 GLY B O 4485 N N . ASN B 169 ? 0.1857 0.1878 0.2141 -0.0024 0.0082 -0.0091 168 ASN B N 4486 C CA . ASN B 169 ? 0.1842 0.1896 0.2205 -0.0037 0.0082 -0.0121 168 ASN B CA 4487 C C . ASN B 169 ? 0.1860 0.1931 0.2259 -0.0022 0.0038 -0.0121 168 ASN B C 4488 O O . ASN B 169 ? 0.1831 0.1930 0.2291 -0.0013 0.0017 -0.0146 168 ASN B O 4489 C CB . ASN B 169 ? 0.1979 0.2016 0.2342 -0.0065 0.0119 -0.0138 168 ASN B CB 4490 C CG . ASN B 169 ? 0.2060 0.2061 0.2379 -0.0086 0.0170 -0.0147 168 ASN B CG 4491 O OD1 . ASN B 169 ? 0.2333 0.2367 0.2704 -0.0097 0.0190 -0.0175 168 ASN B OD1 4492 N ND2 . ASN B 169 ? 0.2193 0.2117 0.2403 -0.0087 0.0190 -0.0123 168 ASN B ND2 4493 N N . MET B 170 ? 0.2065 0.2109 0.2417 -0.0014 0.0025 -0.0096 169 MET B N 4494 C CA . MET B 170 ? 0.2179 0.2212 0.2532 -0.0001 -0.0011 -0.0093 169 MET B CA 4495 C C . MET B 170 ? 0.2019 0.2040 0.2355 0.0010 -0.0030 -0.0084 169 MET B C 4496 O O . MET B 170 ? 0.1990 0.1991 0.2330 0.0023 -0.0062 -0.0093 169 MET B O 4497 C CB . MET B 170 ? 0.2511 0.2512 0.2811 -0.0001 -0.0009 -0.0073 169 MET B CB 4498 C CG . MET B 170 ? 0.2955 0.2948 0.3265 -0.0017 0.0003 -0.0087 169 MET B CG 4499 S SD . MET B 170 ? 0.3702 0.3709 0.4069 -0.0013 -0.0038 -0.0119 169 MET B SD 4500 C CE . MET B 170 ? 0.3721 0.3667 0.4006 0.0003 -0.0065 -0.0091 169 MET B CE 4501 N N . TYR B 171 ? 0.1961 0.1989 0.2272 0.0005 -0.0013 -0.0070 170 TYR B N 4502 C CA . TYR B 171 ? 0.1973 0.1990 0.2272 0.0006 -0.0022 -0.0069 170 TYR B CA 4503 C C . TYR B 171 ? 0.1962 0.1982 0.2300 0.0014 -0.0034 -0.0091 170 TYR B C 4504 O O . TYR B 171 ? 0.1982 0.1964 0.2302 0.0025 -0.0059 -0.0095 170 TYR B O 4505 C CB . TYR B 171 ? 0.2076 0.2117 0.2361 -0.0001 -0.0003 -0.0062 170 TYR B CB 4506 C CG . TYR B 171 ? 0.2066 0.2104 0.2323 -0.0008 0.0000 -0.0052 170 TYR B CG 4507 C CD1 . TYR B 171 ? 0.2009 0.2049 0.2250 -0.0002 0.0005 -0.0043 170 TYR B CD1 4508 C CD2 . TYR B 171 ? 0.2210 0.2240 0.2454 -0.0025 0.0002 -0.0056 170 TYR B CD2 4509 C CE1 . TYR B 171 ? 0.2010 0.2056 0.2235 -0.0010 0.0015 -0.0041 170 TYR B CE1 4510 C CE2 . TYR B 171 ? 0.2192 0.2226 0.2420 -0.0040 0.0017 -0.0056 170 TYR B CE2 4511 C CZ . TYR B 171 ? 0.2182 0.2230 0.2406 -0.0031 0.0023 -0.0050 170 TYR B CZ 4512 O OH . TYR B 171 ? 0.2112 0.2170 0.2327 -0.0049 0.0045 -0.0057 170 TYR B OH 4513 N N . THR B 172 ? 0.1937 0.1993 0.2318 0.0011 -0.0015 -0.0108 171 THR B N 4514 C CA . THR B 172 ? 0.1895 0.1969 0.2327 0.0020 -0.0020 -0.0138 171 THR B CA 4515 C C . THR B 172 ? 0.2001 0.2081 0.2480 0.0042 -0.0055 -0.0164 171 THR B C 4516 O O . THR B 172 ? 0.1870 0.1935 0.2361 0.0067 -0.0085 -0.0182 171 THR B O 4517 C CB . THR B 172 ? 0.1943 0.2048 0.2402 0.0004 0.0021 -0.0154 171 THR B CB 4518 O OG1 . THR B 172 ? 0.2018 0.2104 0.2416 -0.0004 0.0040 -0.0132 171 THR B OG1 4519 C CG2 . THR B 172 ? 0.2066 0.2198 0.2585 0.0014 0.0024 -0.0191 171 THR B CG2 4520 N N . LEU B 173 ? 0.1940 0.2035 0.2439 0.0036 -0.0059 -0.0168 172 LEU B N 4521 C CA . LEU B 173 ? 0.2092 0.2195 0.2635 0.0060 -0.0103 -0.0198 172 LEU B CA 4522 C C . LEU B 173 ? 0.2183 0.2207 0.2649 0.0089 -0.0153 -0.0181 172 LEU B C 4523 O O . LEU B 173 ? 0.2167 0.2173 0.2647 0.0127 -0.0200 -0.0208 172 LEU B O 4524 C CB . LEU B 173 ? 0.2074 0.2200 0.2642 0.0043 -0.0097 -0.0207 172 LEU B CB 4525 C CG . LEU B 173 ? 0.2221 0.2364 0.2841 0.0068 -0.0151 -0.0245 172 LEU B CG 4526 C CD1 . LEU B 173 ? 0.2279 0.2499 0.3016 0.0086 -0.0165 -0.0306 172 LEU B CD1 4527 C CD2 . LEU B 173 ? 0.2257 0.2411 0.2886 0.0041 -0.0138 -0.0250 172 LEU B CD2 4528 N N . TYR B 174 ? 0.2157 0.2126 0.2536 0.0074 -0.0140 -0.0140 173 TYR B N 4529 C CA . TYR B 174 ? 0.2222 0.2094 0.2504 0.0089 -0.0169 -0.0122 173 TYR B CA 4530 C C . TYR B 174 ? 0.2197 0.2033 0.2462 0.0106 -0.0182 -0.0131 173 TYR B C 4531 O O . TYR B 174 ? 0.2340 0.2098 0.2552 0.0140 -0.0229 -0.0141 173 TYR B O 4532 C CB . TYR B 174 ? 0.2323 0.2164 0.2535 0.0059 -0.0134 -0.0086 173 TYR B CB 4533 C CG . TYR B 174 ? 0.2511 0.2241 0.2610 0.0058 -0.0143 -0.0069 173 TYR B CG 4534 C CD1 . TYR B 174 ? 0.2746 0.2441 0.2807 0.0042 -0.0125 -0.0064 173 TYR B CD1 4535 C CD2 . TYR B 174 ? 0.2791 0.2439 0.2808 0.0066 -0.0163 -0.0060 173 TYR B CD2 4536 C CE1 . TYR B 174 ? 0.2839 0.2418 0.2784 0.0029 -0.0120 -0.0051 173 TYR B CE1 4537 C CE2 . TYR B 174 ? 0.3026 0.2550 0.2917 0.0057 -0.0159 -0.0045 173 TYR B CE2 4538 C CZ . TYR B 174 ? 0.3126 0.2615 0.2981 0.0036 -0.0134 -0.0041 173 TYR B CZ 4539 O OH . TYR B 174 ? 0.3393 0.2744 0.3110 0.0016 -0.0119 -0.0028 173 TYR B OH 4540 N N . PHE B 175 ? 0.2114 0.1990 0.2404 0.0084 -0.0145 -0.0127 174 PHE B N 4541 C CA . PHE B 175 ? 0.2107 0.1945 0.2376 0.0095 -0.0151 -0.0136 174 PHE B CA 4542 C C . PHE B 175 ? 0.2218 0.2067 0.2541 0.0142 -0.0193 -0.0176 174 PHE B C 4543 O O . PHE B 175 ? 0.2212 0.1974 0.2473 0.0176 -0.0234 -0.0184 174 PHE B O 4544 C CB . PHE B 175 ? 0.2177 0.2070 0.2477 0.0067 -0.0107 -0.0133 174 PHE B CB 4545 C CG . PHE B 175 ? 0.2182 0.2045 0.2469 0.0076 -0.0110 -0.0146 174 PHE B CG 4546 C CD1 . PHE B 175 ? 0.2320 0.2088 0.2514 0.0067 -0.0114 -0.0132 174 PHE B CD1 4547 C CD2 . PHE B 175 ? 0.2138 0.2058 0.2497 0.0089 -0.0101 -0.0174 174 PHE B CD2 4548 C CE1 . PHE B 175 ? 0.2445 0.2172 0.2616 0.0074 -0.0117 -0.0145 174 PHE B CE1 4549 C CE2 . PHE B 175 ? 0.2236 0.2122 0.2578 0.0100 -0.0103 -0.0189 174 PHE B CE2 4550 C CZ . PHE B 175 ? 0.2401 0.2190 0.2648 0.0094 -0.0114 -0.0172 174 PHE B CZ 4551 N N . LEU B 176 ? 0.2092 0.2044 0.2528 0.0144 -0.0184 -0.0207 175 LEU B N 4552 C CA . LEU B 176 ? 0.2215 0.2211 0.2737 0.0185 -0.0216 -0.0259 175 LEU B CA 4553 C C . LEU B 176 ? 0.2339 0.2293 0.2847 0.0235 -0.0289 -0.0280 175 LEU B C 4554 O O . LEU B 176 ? 0.2448 0.2383 0.2970 0.0289 -0.0339 -0.0317 175 LEU B O 4555 C CB . LEU B 176 ? 0.2188 0.2306 0.2837 0.0162 -0.0174 -0.0294 175 LEU B CB 4556 C CG . LEU B 176 ? 0.2189 0.2332 0.2842 0.0126 -0.0111 -0.0284 175 LEU B CG 4557 C CD1 . LEU B 176 ? 0.2178 0.2408 0.2921 0.0095 -0.0061 -0.0314 175 LEU B CD1 4558 C CD2 . LEU B 176 ? 0.2283 0.2406 0.2934 0.0152 -0.0116 -0.0302 175 LEU B CD2 4559 N N . GLN B 177 ? 0.2489 0.2425 0.2963 0.0223 -0.0300 -0.0262 176 GLN B N 4560 C CA . GLN B 177 ? 0.2665 0.2541 0.3099 0.0272 -0.0375 -0.0280 176 GLN B CA 4561 C C . GLN B 177 ? 0.2888 0.2604 0.3170 0.0310 -0.0417 -0.0260 176 GLN B C 4562 O O . GLN B 177 ? 0.3024 0.2678 0.3269 0.0371 -0.0492 -0.0288 176 GLN B O 4563 C CB . GLN B 177 ? 0.2755 0.2619 0.3154 0.0246 -0.0371 -0.0257 176 GLN B CB 4564 C CG . GLN B 177 ? 0.2646 0.2641 0.3181 0.0221 -0.0349 -0.0290 176 GLN B CG 4565 C CD . GLN B 177 ? 0.2802 0.2769 0.3290 0.0200 -0.0351 -0.0269 176 GLN B CD 4566 O OE1 . GLN B 177 ? 0.2911 0.2774 0.3270 0.0194 -0.0348 -0.0223 176 GLN B OE1 4567 N NE2 . GLN B 177 ? 0.2822 0.2879 0.3413 0.0185 -0.0348 -0.0306 176 GLN B NE2 4568 N N . ARG B 178 ? 0.2878 0.2524 0.3067 0.0272 -0.0370 -0.0216 177 ARG B N 4569 C CA . ARG B 178 ? 0.3302 0.2777 0.3327 0.0291 -0.0392 -0.0195 177 ARG B CA 4570 C C . ARG B 178 ? 0.3273 0.2717 0.3292 0.0316 -0.0399 -0.0212 177 ARG B C 4571 O O . ARG B 178 ? 0.3468 0.2752 0.3337 0.0328 -0.0413 -0.0195 177 ARG B O 4572 C CB . ARG B 178 ? 0.3655 0.3059 0.3573 0.0230 -0.0336 -0.0145 177 ARG B CB 4573 C CG . ARG B 178 ? 0.4307 0.3683 0.4180 0.0226 -0.0349 -0.0131 177 ARG B CG 4574 C CD . ARG B 178 ? 0.4775 0.4139 0.4598 0.0164 -0.0285 -0.0093 177 ARG B CD 4575 N NE . ARG B 178 ? 0.5399 0.4779 0.5225 0.0167 -0.0298 -0.0091 177 ARG B NE 4576 C CZ . ARG B 178 ? 0.6106 0.5360 0.5798 0.0169 -0.0311 -0.0074 177 ARG B CZ 4577 N NH1 . ARG B 178 ? 0.6721 0.5806 0.6246 0.0163 -0.0306 -0.0056 177 ARG B NH1 4578 N NH2 . ARG B 178 ? 0.5778 0.5064 0.5490 0.0172 -0.0323 -0.0075 177 ARG B NH2 4579 N N . GLN B 179 ? 0.2950 0.2529 0.3117 0.0324 -0.0386 -0.0247 178 GLN B N 4580 C CA . GLN B 179 ? 0.2982 0.2530 0.3146 0.0357 -0.0398 -0.0271 178 GLN B CA 4581 C C . GLN B 179 ? 0.3101 0.2677 0.3335 0.0441 -0.0474 -0.0331 178 GLN B C 4582 O O . GLN B 179 ? 0.2920 0.2627 0.3291 0.0450 -0.0486 -0.0368 178 GLN B O 4583 C CB . GLN B 179 ? 0.2891 0.2558 0.3161 0.0316 -0.0332 -0.0277 178 GLN B CB 4584 C CG . GLN B 179 ? 0.3007 0.2680 0.3239 0.0241 -0.0264 -0.0230 178 GLN B CG 4585 C CD . GLN B 179 ? 0.3407 0.2929 0.3477 0.0218 -0.0262 -0.0190 178 GLN B CD 4586 O OE1 . GLN B 179 ? 0.3513 0.2922 0.3490 0.0233 -0.0275 -0.0191 178 GLN B OE1 4587 N NE2 . GLN B 179 ? 0.3750 0.3265 0.3782 0.0179 -0.0240 -0.0159 178 GLN B NE2 4588 N N . PRO B 180 ? 0.3168 0.2621 0.3310 0.0503 -0.0525 -0.0347 179 PRO B N 4589 C CA . PRO B 180 ? 0.3308 0.2803 0.3533 0.0594 -0.0603 -0.0415 179 PRO B CA 4590 C C . PRO B 180 ? 0.3086 0.2798 0.3542 0.0589 -0.0570 -0.0474 179 PRO B C 4591 O O . PRO B 180 ? 0.2814 0.2589 0.3317 0.0533 -0.0493 -0.0460 179 PRO B O 4592 C CB . PRO B 180 ? 0.3502 0.2822 0.3578 0.0648 -0.0640 -0.0415 179 PRO B CB 4593 C CG . PRO B 180 ? 0.3647 0.2790 0.3521 0.0588 -0.0599 -0.0342 179 PRO B CG 4594 C CD . PRO B 180 ? 0.3403 0.2677 0.3366 0.0491 -0.0511 -0.0308 179 PRO B CD 4595 N N . GLN B 181 ? 0.3102 0.2924 0.3695 0.0647 -0.0629 -0.0544 180 GLN B N 4596 C CA . GLN B 181 ? 0.2974 0.3003 0.3792 0.0639 -0.0591 -0.0612 180 GLN B CA 4597 C C . GLN B 181 ? 0.2849 0.2881 0.3687 0.0655 -0.0560 -0.0633 180 GLN B C 4598 O O . GLN B 181 ? 0.2757 0.2909 0.3709 0.0603 -0.0479 -0.0648 180 GLN B O 4599 C CB . GLN B 181 ? 0.3088 0.3232 0.4055 0.0707 -0.0670 -0.0700 180 GLN B CB 4600 C CG . GLN B 181 ? 0.3108 0.3481 0.4323 0.0681 -0.0617 -0.0779 180 GLN B CG 4601 C CD . GLN B 181 ? 0.2996 0.3457 0.4267 0.0573 -0.0522 -0.0748 180 GLN B CD 4602 O OE1 . GLN B 181 ? 0.3419 0.3852 0.4642 0.0546 -0.0536 -0.0716 180 GLN B OE1 4603 N NE2 . GLN B 181 ? 0.2888 0.3433 0.4237 0.0513 -0.0425 -0.0756 180 GLN B NE2 4604 N N . ALA B 182 ? 0.2905 0.2790 0.3620 0.0728 -0.0621 -0.0634 181 ALA B N 4605 C CA . ALA B 182 ? 0.2859 0.2730 0.3578 0.0748 -0.0595 -0.0654 181 ALA B CA 4606 C C . ALA B 182 ? 0.2689 0.2526 0.3338 0.0653 -0.0495 -0.0588 181 ALA B C 4607 O O . ALA B 182 ? 0.2610 0.2513 0.3328 0.0636 -0.0440 -0.0610 181 ALA B O 4608 C CB . ALA B 182 ? 0.3111 0.2793 0.3673 0.0844 -0.0682 -0.0660 181 ALA B CB 4609 N N . TRP B 183 ? 0.2626 0.2362 0.3138 0.0595 -0.0475 -0.0513 182 TRP B N 4610 C CA . TRP B 183 ? 0.2536 0.2251 0.2989 0.0508 -0.0392 -0.0457 182 TRP B CA 4611 C C . TRP B 183 ? 0.2362 0.2255 0.2970 0.0449 -0.0320 -0.0471 182 TRP B C 4612 O O . TRP B 183 ? 0.2269 0.2198 0.2900 0.0412 -0.0259 -0.0471 182 TRP B O 4613 C CB . TRP B 183 ? 0.2577 0.2165 0.2871 0.0462 -0.0389 -0.0387 182 TRP B CB 4614 C CG . TRP B 183 ? 0.2523 0.2091 0.2760 0.0380 -0.0315 -0.0339 182 TRP B CG 4615 C CD1 . TRP B 183 ? 0.2606 0.2045 0.2715 0.0364 -0.0302 -0.0316 182 TRP B CD1 4616 C CD2 . TRP B 183 ? 0.2375 0.2054 0.2682 0.0311 -0.0251 -0.0318 182 TRP B CD2 4617 N NE1 . TRP B 183 ? 0.2523 0.2003 0.2633 0.0289 -0.0238 -0.0285 182 TRP B NE1 4618 C CE2 . TRP B 183 ? 0.2449 0.2072 0.2675 0.0261 -0.0210 -0.0285 182 TRP B CE2 4619 C CE3 . TRP B 183 ? 0.2279 0.2091 0.2701 0.0287 -0.0228 -0.0325 182 TRP B CE3 4620 C CZ2 . TRP B 183 ? 0.2279 0.1978 0.2537 0.0199 -0.0155 -0.0263 182 TRP B CZ2 4621 C CZ3 . TRP B 183 ? 0.2195 0.2061 0.2629 0.0224 -0.0168 -0.0297 182 TRP B CZ3 4622 C CH2 . TRP B 183 ? 0.2197 0.2009 0.2551 0.0185 -0.0136 -0.0267 182 TRP B CH2 4623 N N . LYS B 184 ? 0.2368 0.2355 0.3065 0.0439 -0.0327 -0.0484 183 LYS B N 4624 C CA . LYS B 184 ? 0.2229 0.2358 0.3048 0.0378 -0.0254 -0.0496 183 LYS B CA 4625 C C . LYS B 184 ? 0.2245 0.2490 0.3208 0.0393 -0.0221 -0.0567 183 LYS B C 4626 O O . LYS B 184 ? 0.2220 0.2515 0.3214 0.0338 -0.0142 -0.0565 183 LYS B O 4627 C CB . LYS B 184 ? 0.2144 0.2334 0.3020 0.0366 -0.0272 -0.0500 183 LYS B CB 4628 C CG . LYS B 184 ? 0.2222 0.2308 0.2959 0.0336 -0.0282 -0.0428 183 LYS B CG 4629 C CD . LYS B 184 ? 0.2194 0.2328 0.2971 0.0322 -0.0296 -0.0429 183 LYS B CD 4630 C CE . LYS B 184 ? 0.2274 0.2409 0.3089 0.0392 -0.0384 -0.0477 183 LYS B CE 4631 N NZ . LYS B 184 ? 0.2317 0.2454 0.3119 0.0376 -0.0405 -0.0462 183 LYS B NZ 4632 N N . ASP B 185 ? 0.2353 0.2630 0.3393 0.0470 -0.0282 -0.0633 184 ASP B N 4633 C CA . ASP B 185 ? 0.2509 0.2906 0.3700 0.0492 -0.0251 -0.0714 184 ASP B CA 4634 C C . ASP B 185 ? 0.2495 0.2830 0.3617 0.0480 -0.0202 -0.0697 184 ASP B C 4635 O O . ASP B 185 ? 0.2293 0.2715 0.3505 0.0453 -0.0131 -0.0738 184 ASP B O 4636 C CB . ASP B 185 ? 0.2753 0.3191 0.4037 0.0595 -0.0342 -0.0793 184 ASP B CB 4637 C CG . ASP B 185 ? 0.3078 0.3616 0.4474 0.0609 -0.0390 -0.0835 184 ASP B CG 4638 O OD1 . ASP B 185 ? 0.3127 0.3731 0.4565 0.0534 -0.0338 -0.0816 184 ASP B OD1 4639 O OD2 . ASP B 185 ? 0.3382 0.3930 0.4824 0.0701 -0.0486 -0.0892 184 ASP B OD2 4640 N N . LYS B 186 ? 0.2409 0.2584 0.3360 0.0495 -0.0233 -0.0640 185 LYS B N 4641 C CA . LYS B 186 ? 0.2429 0.2534 0.3302 0.0480 -0.0191 -0.0624 185 LYS B CA 4642 C C . LYS B 186 ? 0.2285 0.2387 0.3103 0.0388 -0.0111 -0.0569 185 LYS B C 4643 O O . LYS B 186 ? 0.2266 0.2394 0.3101 0.0361 -0.0050 -0.0585 185 LYS B O 4644 C CB . LYS B 186 ? 0.2509 0.2434 0.3214 0.0523 -0.0253 -0.0589 185 LYS B CB 4645 C CG . LYS B 186 ? 0.2585 0.2416 0.3187 0.0501 -0.0215 -0.0567 185 LYS B CG 4646 C CD . LYS B 186 ? 0.2786 0.2432 0.3230 0.0554 -0.0278 -0.0551 185 LYS B CD 4647 C CE . LYS B 186 ? 0.2824 0.2372 0.3164 0.0530 -0.0242 -0.0535 185 LYS B CE 4648 N NZ . LYS B 186 ? 0.3065 0.2408 0.3225 0.0565 -0.0295 -0.0512 185 LYS B NZ 4649 N N . TYR B 187 ? 0.2255 0.2314 0.2996 0.0346 -0.0117 -0.0508 186 TYR B N 4650 C CA . TYR B 187 ? 0.2183 0.2207 0.2839 0.0276 -0.0065 -0.0453 186 TYR B CA 4651 C C . TYR B 187 ? 0.2040 0.2151 0.2751 0.0220 -0.0008 -0.0445 186 TYR B C 4652 O O . TYR B 187 ? 0.2079 0.2165 0.2724 0.0173 0.0034 -0.0413 186 TYR B O 4653 C CB . TYR B 187 ? 0.2113 0.2024 0.2636 0.0262 -0.0099 -0.0393 186 TYR B CB 4654 C CG . TYR B 187 ? 0.2204 0.1986 0.2620 0.0293 -0.0134 -0.0388 186 TYR B CG 4655 C CD1 . TYR B 187 ? 0.2276 0.2010 0.2634 0.0272 -0.0103 -0.0384 186 TYR B CD1 4656 C CD2 . TYR B 187 ? 0.2278 0.1969 0.2636 0.0345 -0.0199 -0.0390 186 TYR B CD2 4657 C CE1 . TYR B 187 ? 0.2404 0.2006 0.2656 0.0298 -0.0131 -0.0383 186 TYR B CE1 4658 C CE2 . TYR B 187 ? 0.2440 0.1983 0.2674 0.0373 -0.0228 -0.0385 186 TYR B CE2 4659 C CZ . TYR B 187 ? 0.2488 0.1988 0.2671 0.0346 -0.0192 -0.0382 186 TYR B CZ 4660 O OH . TYR B 187 ? 0.2761 0.2098 0.2809 0.0371 -0.0219 -0.0379 186 TYR B OH 4661 N N . ILE B 188 ? 0.2070 0.2269 0.2885 0.0225 -0.0012 -0.0475 187 ILE B N 4662 C CA . ILE B 188 ? 0.2061 0.2318 0.2906 0.0169 0.0040 -0.0464 187 ILE B CA 4663 C C . ILE B 188 ? 0.2129 0.2487 0.3098 0.0156 0.0098 -0.0530 187 ILE B C 4664 O O . ILE B 188 ? 0.2091 0.2529 0.3184 0.0194 0.0073 -0.0592 187 ILE B O 4665 C CB . ILE B 188 ? 0.2065 0.2333 0.2918 0.0167 0.0002 -0.0443 187 ILE B CB 4666 C CG1 . ILE B 188 ? 0.2149 0.2314 0.2879 0.0175 -0.0045 -0.0384 187 ILE B CG1 4667 C CG2 . ILE B 188 ? 0.2075 0.2381 0.2939 0.0109 0.0059 -0.0430 187 ILE B CG2 4668 C CD1 . ILE B 188 ? 0.2141 0.2248 0.2766 0.0133 -0.0013 -0.0332 187 ILE B CD1 4669 N N . ARG B 189 ? 0.2219 0.2568 0.3151 0.0105 0.0174 -0.0523 188 ARG B N 4670 C CA . ARG B 189 ? 0.2300 0.2727 0.3328 0.0075 0.0250 -0.0585 188 ARG B CA 4671 C C . ARG B 189 ? 0.2075 0.2554 0.3156 0.0032 0.0278 -0.0594 188 ARG B C 4672 O O . ARG B 189 ? 0.2040 0.2624 0.3264 0.0027 0.0298 -0.0662 188 ARG B O 4673 C CB . ARG B 189 ? 0.2541 0.2902 0.3471 0.0036 0.0324 -0.0573 188 ARG B CB 4674 C CG . ARG B 189 ? 0.3085 0.3508 0.4095 -0.0001 0.0417 -0.0639 188 ARG B CG 4675 C CD . ARG B 189 ? 0.3740 0.4072 0.4626 -0.0032 0.0485 -0.0626 188 ARG B CD 4676 N NE . ARG B 189 ? 0.4884 0.5269 0.5849 -0.0061 0.0577 -0.0701 188 ARG B NE 4677 C CZ . ARG B 189 ? 0.5710 0.6150 0.6765 -0.0026 0.0585 -0.0761 188 ARG B CZ 4678 N NH1 . ARG B 189 ? 0.6192 0.6623 0.7250 0.0041 0.0504 -0.0751 188 ARG B NH1 4679 N NH2 . ARG B 189 ? 0.6161 0.6659 0.7296 -0.0061 0.0681 -0.0836 188 ARG B NH2 4680 N N . ALA B 190 ? 0.1911 0.2319 0.2879 0.0001 0.0278 -0.0529 189 ALA B N 4681 C CA . ALA B 190 ? 0.1950 0.2382 0.2939 -0.0040 0.0304 -0.0529 189 ALA B CA 4682 C C . ALA B 190 ? 0.1909 0.2259 0.2774 -0.0045 0.0271 -0.0453 189 ALA B C 4683 O O . ALA B 190 ? 0.1994 0.2273 0.2756 -0.0030 0.0246 -0.0405 189 ALA B O 4684 C CB . ALA B 190 ? 0.2007 0.2433 0.2988 -0.0102 0.0409 -0.0560 189 ALA B CB 4685 N N . PHE B 191 ? 0.1995 0.2361 0.2878 -0.0067 0.0271 -0.0449 190 PHE B N 4686 C CA . PHE B 191 ? 0.1967 0.2264 0.2744 -0.0074 0.0247 -0.0385 190 PHE B CA 4687 C C . PHE B 191 ? 0.2083 0.2348 0.2817 -0.0129 0.0317 -0.0388 190 PHE B C 4688 O O . PHE B 191 ? 0.2086 0.2408 0.2911 -0.0157 0.0345 -0.0434 190 PHE B O 4689 C CB . PHE B 191 ? 0.1986 0.2317 0.2815 -0.0041 0.0173 -0.0380 190 PHE B CB 4690 C CG . PHE B 191 ? 0.1996 0.2273 0.2739 -0.0047 0.0151 -0.0326 190 PHE B CG 4691 C CD1 . PHE B 191 ? 0.2102 0.2306 0.2727 -0.0065 0.0177 -0.0280 190 PHE B CD1 4692 C CD2 . PHE B 191 ? 0.2022 0.2319 0.2801 -0.0026 0.0097 -0.0327 190 PHE B CD2 4693 C CE1 . PHE B 191 ? 0.2171 0.2336 0.2731 -0.0064 0.0155 -0.0239 190 PHE B CE1 4694 C CE2 . PHE B 191 ? 0.2133 0.2382 0.2837 -0.0030 0.0079 -0.0283 190 PHE B CE2 4695 C CZ . PHE B 191 ? 0.2095 0.2284 0.2697 -0.0049 0.0110 -0.0240 190 PHE B CZ 4696 N N . VAL B 192 ? 0.2144 0.2310 0.2735 -0.0144 0.0346 -0.0345 191 VAL B N 4697 C CA . VAL B 192 ? 0.2195 0.2284 0.2694 -0.0190 0.0408 -0.0337 191 VAL B CA 4698 C C . VAL B 192 ? 0.2138 0.2180 0.2562 -0.0173 0.0361 -0.0285 191 VAL B C 4699 O O . VAL B 192 ? 0.2015 0.2016 0.2359 -0.0141 0.0319 -0.0241 191 VAL B O 4700 C CB . VAL B 192 ? 0.2381 0.2366 0.2743 -0.0207 0.0463 -0.0326 191 VAL B CB 4701 C CG1 . VAL B 192 ? 0.2650 0.2518 0.2878 -0.0249 0.0523 -0.0313 191 VAL B CG1 4702 C CG2 . VAL B 192 ? 0.2488 0.2519 0.2924 -0.0224 0.0516 -0.0381 191 VAL B CG2 4703 N N . SER B 193 ? 0.2160 0.2214 0.2617 -0.0197 0.0372 -0.0297 192 SER B N 4704 C CA . SER B 193 ? 0.2208 0.2234 0.2619 -0.0181 0.0328 -0.0258 192 SER B CA 4705 C C . SER B 193 ? 0.2278 0.2187 0.2551 -0.0211 0.0377 -0.0238 192 SER B C 4706 O O . SER B 193 ? 0.2330 0.2220 0.2612 -0.0263 0.0440 -0.0273 192 SER B O 4707 C CB . SER B 193 ? 0.2538 0.2654 0.3080 -0.0183 0.0299 -0.0291 192 SER B CB 4708 O OG . SER B 193 ? 0.2869 0.2957 0.3370 -0.0168 0.0259 -0.0258 192 SER B OG 4709 N N . LEU B 194 ? 0.2219 0.2044 0.2361 -0.0180 0.0352 -0.0190 193 LEU B N 4710 C CA . LEU B 194 ? 0.2491 0.2177 0.2471 -0.0194 0.0389 -0.0169 193 LEU B CA 4711 C C . LEU B 194 ? 0.2484 0.2144 0.2424 -0.0170 0.0349 -0.0138 193 LEU B C 4712 O O . LEU B 194 ? 0.2383 0.2063 0.2312 -0.0121 0.0289 -0.0108 193 LEU B O 4713 C CB . LEU B 194 ? 0.2624 0.2218 0.2465 -0.0167 0.0387 -0.0144 193 LEU B CB 4714 C CG . LEU B 194 ? 0.2769 0.2372 0.2623 -0.0183 0.0424 -0.0169 193 LEU B CG 4715 C CD1 . LEU B 194 ? 0.2988 0.2497 0.2695 -0.0146 0.0402 -0.0142 193 LEU B CD1 4716 C CD2 . LEU B 194 ? 0.2907 0.2463 0.2747 -0.0249 0.0517 -0.0209 193 LEU B CD2 4717 N N . GLY B 195 ? 0.2606 0.2222 0.2528 -0.0208 0.0384 -0.0151 194 GLY B N 4718 C CA . GLY B 195 ? 0.2585 0.2155 0.2450 -0.0186 0.0353 -0.0124 194 GLY B CA 4719 C C . GLY B 195 ? 0.2458 0.2142 0.2441 -0.0155 0.0287 -0.0117 194 GLY B C 4720 O O . GLY B 195 ? 0.2296 0.1965 0.2233 -0.0111 0.0244 -0.0086 194 GLY B O 4721 N N . ALA B 196 ? 0.2334 0.2127 0.2463 -0.0173 0.0279 -0.0150 195 ALA B N 4722 C CA . ALA B 196 ? 0.2260 0.2138 0.2479 -0.0142 0.0216 -0.0145 195 ALA B CA 4723 C C . ALA B 196 ? 0.2327 0.2182 0.2531 -0.0145 0.0200 -0.0140 195 ALA B C 4724 O O . ALA B 196 ? 0.2317 0.2165 0.2548 -0.0187 0.0229 -0.0171 195 ALA B O 4725 C CB . ALA B 196 ? 0.2086 0.2068 0.2446 -0.0150 0.0204 -0.0186 195 ALA B CB 4726 N N . PRO B 197 ? 0.2293 0.2140 0.2462 -0.0105 0.0157 -0.0107 196 PRO B N 4727 C CA . PRO B 197 ? 0.2377 0.2200 0.2528 -0.0103 0.0138 -0.0102 196 PRO B CA 4728 C C . PRO B 197 ? 0.2362 0.2256 0.2611 -0.0099 0.0094 -0.0122 196 PRO B C 4729 O O . PRO B 197 ? 0.2592 0.2483 0.2822 -0.0071 0.0057 -0.0103 196 PRO B O 4730 C CB . PRO B 197 ? 0.2348 0.2134 0.2417 -0.0059 0.0118 -0.0063 196 PRO B CB 4731 C CG . PRO B 197 ? 0.2326 0.2171 0.2436 -0.0038 0.0099 -0.0057 196 PRO B CG 4732 C CD . PRO B 197 ? 0.2348 0.2205 0.2487 -0.0064 0.0129 -0.0078 196 PRO B CD 4733 N N A TRP B 198 ? 0.2479 0.2430 0.2823 -0.0126 0.0100 -0.0167 197 TRP B N 4734 N N B TRP B 198 ? 0.2304 0.2256 0.2650 -0.0125 0.0099 -0.0166 197 TRP B N 4735 C CA A TRP B 198 ? 0.2432 0.2445 0.2865 -0.0114 0.0050 -0.0195 197 TRP B CA 4736 C CA B TRP B 198 ? 0.2183 0.2203 0.2622 -0.0109 0.0045 -0.0194 197 TRP B CA 4737 C C A TRP B 198 ? 0.2490 0.2457 0.2880 -0.0119 0.0033 -0.0192 197 TRP B C 4738 C C B TRP B 198 ? 0.2143 0.2137 0.2552 -0.0087 -0.0004 -0.0183 197 TRP B C 4739 O O A TRP B 198 ? 0.2886 0.2813 0.3246 -0.0155 0.0069 -0.0202 197 TRP B O 4740 O O B TRP B 198 ? 0.2017 0.2015 0.2425 -0.0053 -0.0050 -0.0174 197 TRP B O 4741 C CB A TRP B 198 ? 0.2402 0.2494 0.2958 -0.0142 0.0061 -0.0257 197 TRP B CB 4742 C CB B TRP B 198 ? 0.2194 0.2286 0.2750 -0.0142 0.0060 -0.0257 197 TRP B CB 4743 C CG A TRP B 198 ? 0.2393 0.2524 0.2994 -0.0153 0.0099 -0.0274 197 TRP B CG 4744 C CG B TRP B 198 ? 0.2190 0.2324 0.2794 -0.0153 0.0098 -0.0275 197 TRP B CG 4745 C CD1 A TRP B 198 ? 0.2378 0.2527 0.3018 -0.0202 0.0163 -0.0312 197 TRP B CD1 4746 C CD1 B TRP B 198 ? 0.2218 0.2368 0.2860 -0.0202 0.0163 -0.0313 197 TRP B CD1 4747 C CD2 A TRP B 198 ? 0.2443 0.2595 0.3051 -0.0118 0.0079 -0.0258 197 TRP B CD2 4748 C CD2 B TRP B 198 ? 0.2176 0.2329 0.2786 -0.0118 0.0079 -0.0258 197 TRP B CD2 4749 N NE1 A TRP B 198 ? 0.2484 0.2663 0.3153 -0.0196 0.0184 -0.0320 197 TRP B NE1 4750 N NE1 B TRP B 198 ? 0.2230 0.2410 0.2900 -0.0196 0.0184 -0.0321 197 TRP B NE1 4751 C CE2 A TRP B 198 ? 0.2473 0.2656 0.3125 -0.0144 0.0130 -0.0287 197 TRP B CE2 4752 C CE2 B TRP B 198 ? 0.2191 0.2374 0.2843 -0.0144 0.0130 -0.0287 197 TRP B CE2 4753 C CE3 A TRP B 198 ? 0.2587 0.2725 0.3160 -0.0073 0.0030 -0.0224 197 TRP B CE3 4754 C CE3 B TRP B 198 ? 0.2188 0.2327 0.2762 -0.0073 0.0030 -0.0225 197 TRP B CE3 4755 C CZ2 A TRP B 198 ? 0.2602 0.2804 0.3264 -0.0121 0.0127 -0.0282 197 TRP B CZ2 4756 C CZ2 B TRP B 198 ? 0.2201 0.2403 0.2863 -0.0121 0.0127 -0.0282 197 TRP B CZ2 4757 C CZ3 A TRP B 198 ? 0.2484 0.2639 0.3068 -0.0056 0.0029 -0.0220 197 TRP B CZ3 4758 C CZ3 B TRP B 198 ? 0.2149 0.2305 0.2734 -0.0056 0.0029 -0.0220 197 TRP B CZ3 4759 C CH2 A TRP B 198 ? 0.2425 0.2612 0.3053 -0.0076 0.0073 -0.0248 197 TRP B CH2 4760 C CH2 B TRP B 198 ? 0.2137 0.2325 0.2766 -0.0076 0.0073 -0.0248 197 TRP B CH2 4761 N N A GLY B 199 ? 0.2531 0.2490 0.2904 -0.0086 -0.0018 -0.0178 198 GLY B N 4762 N N B GLY B 199 ? 0.2198 0.2147 0.2567 -0.0108 0.0007 -0.0186 198 GLY B N 4763 C CA A GLY B 199 ? 0.2536 0.2445 0.2860 -0.0087 -0.0038 -0.0176 198 GLY B CA 4764 C CA B GLY B 199 ? 0.2287 0.2197 0.2611 -0.0090 -0.0033 -0.0177 198 GLY B CA 4765 C C A GLY B 199 ? 0.2449 0.2277 0.2656 -0.0081 -0.0011 -0.0132 198 GLY B C 4766 C C B GLY B 199 ? 0.2347 0.2174 0.2554 -0.0082 -0.0010 -0.0132 198 GLY B C 4767 O O A GLY B 199 ? 0.2342 0.2120 0.2501 -0.0085 -0.0019 -0.0131 198 GLY B O 4768 O O B GLY B 199 ? 0.2362 0.2140 0.2520 -0.0085 -0.0019 -0.0131 198 GLY B O 4769 N N . GLY B 200 ? 0.2386 0.2203 0.2552 -0.0066 0.0014 -0.0100 199 GLY B N 4770 C CA . GLY B 200 ? 0.2468 0.2224 0.2536 -0.0045 0.0030 -0.0065 199 GLY B CA 4771 C C . GLY B 200 ? 0.2646 0.2334 0.2648 -0.0064 0.0070 -0.0064 199 GLY B C 4772 O O . GLY B 200 ? 0.2671 0.2355 0.2700 -0.0104 0.0095 -0.0091 199 GLY B O 4773 N N . VAL B 201 ? 0.2538 0.2167 0.2448 -0.0034 0.0080 -0.0037 200 VAL B N 4774 C CA . VAL B 201 ? 0.2746 0.2277 0.2558 -0.0041 0.0114 -0.0033 200 VAL B CA 4775 C C . VAL B 201 ? 0.2727 0.2184 0.2452 -0.0016 0.0108 -0.0019 200 VAL B C 4776 O O . VAL B 201 ? 0.2562 0.2049 0.2290 0.0022 0.0086 -0.0006 200 VAL B O 4777 C CB . VAL B 201 ? 0.3167 0.2673 0.2927 -0.0020 0.0131 -0.0019 200 VAL B CB 4778 C CG1 . VAL B 201 ? 0.3253 0.2822 0.3090 -0.0048 0.0143 -0.0034 200 VAL B CG1 4779 C CG2 . VAL B 201 ? 0.3119 0.2656 0.2867 0.0037 0.0104 0.0000 200 VAL B CG2 4780 N N . ALA B 202 ? 0.2761 0.2117 0.2404 -0.0039 0.0134 -0.0024 201 ALA B N 4781 C CA . ALA B 202 ? 0.2901 0.2175 0.2454 -0.0017 0.0130 -0.0015 201 ALA B CA 4782 C C . ALA B 202 ? 0.2998 0.2242 0.2478 0.0051 0.0121 0.0007 201 ALA B C 4783 O O . ALA B 202 ? 0.3042 0.2279 0.2498 0.0086 0.0106 0.0013 201 ALA B O 4784 C CB . ALA B 202 ? 0.2966 0.2118 0.2429 -0.0059 0.0165 -0.0027 201 ALA B CB 4785 N N . LYS B 203 ? 0.3096 0.2326 0.2543 0.0074 0.0127 0.0015 202 LYS B N 4786 C CA . LYS B 203 ? 0.3349 0.2550 0.2726 0.0147 0.0109 0.0026 202 LYS B CA 4787 C C . LYS B 203 ? 0.3103 0.2432 0.2576 0.0186 0.0082 0.0024 202 LYS B C 4788 O O . LYS B 203 ? 0.2938 0.2265 0.2379 0.0247 0.0067 0.0022 202 LYS B O 4789 C CB . LYS B 203 ? 0.3994 0.3132 0.3290 0.0170 0.0114 0.0032 202 LYS B CB 4790 C CG . LYS B 203 ? 0.4542 0.3788 0.3930 0.0170 0.0102 0.0029 202 LYS B CG 4791 C CD . LYS B 203 ? 0.5473 0.4627 0.4749 0.0200 0.0102 0.0033 202 LYS B CD 4792 C CE . LYS B 203 ? 0.5999 0.5079 0.5165 0.0285 0.0070 0.0036 202 LYS B CE 4793 N NZ . LYS B 203 ? 0.6620 0.5657 0.5710 0.0334 0.0045 0.0035 202 LYS B NZ 4794 N N . THR B 204 ? 0.2838 0.2269 0.2424 0.0151 0.0077 0.0019 203 THR B N 4795 C CA . THR B 204 ? 0.2861 0.2392 0.2524 0.0170 0.0064 0.0015 203 THR B CA 4796 C C . THR B 204 ? 0.2797 0.2295 0.2418 0.0195 0.0066 0.0013 203 THR B C 4797 O O . THR B 204 ? 0.2572 0.2128 0.2222 0.0231 0.0065 0.0003 203 THR B O 4798 C CB . THR B 204 ? 0.3017 0.2614 0.2767 0.0124 0.0059 0.0012 203 THR B CB 4799 O OG1 . THR B 204 ? 0.3266 0.2891 0.3056 0.0102 0.0060 0.0010 203 THR B OG1 4800 C CG2 . THR B 204 ? 0.3134 0.2808 0.2939 0.0136 0.0055 0.0008 203 THR B CG2 4801 N N . LEU B 205 ? 0.2866 0.2275 0.2423 0.0174 0.0073 0.0016 204 LEU B N 4802 C CA . LEU B 205 ? 0.3070 0.2430 0.2570 0.0199 0.0077 0.0014 204 LEU B CA 4803 C C . LEU B 205 ? 0.3107 0.2436 0.2547 0.0266 0.0077 0.0009 204 LEU B C 4804 O O . LEU B 205 ? 0.2960 0.2326 0.2414 0.0304 0.0080 -0.0002 204 LEU B O 4805 C CB . LEU B 205 ? 0.3304 0.2560 0.2734 0.0164 0.0083 0.0015 204 LEU B CB 4806 C CG . LEU B 205 ? 0.3650 0.2919 0.3120 0.0113 0.0072 0.0008 204 LEU B CG 4807 C CD1 . LEU B 205 ? 0.3832 0.3129 0.3314 0.0123 0.0065 0.0008 204 LEU B CD1 4808 C CD2 . LEU B 205 ? 0.3430 0.2766 0.2987 0.0073 0.0063 0.0003 204 LEU B CD2 4809 N N . ARG B 206 ? 0.3147 0.2402 0.2515 0.0286 0.0073 0.0015 205 ARG B N 4810 C CA . ARG B 206 ? 0.3324 0.2533 0.2619 0.0364 0.0060 0.0007 205 ARG B CA 4811 C C . ARG B 206 ? 0.3157 0.2505 0.2552 0.0410 0.0040 -0.0011 205 ARG B C 4812 O O . ARG B 206 ? 0.3112 0.2492 0.2513 0.0472 0.0030 -0.0033 205 ARG B O 4813 C CB . ARG B 206 ? 0.3791 0.2858 0.2954 0.0374 0.0059 0.0019 205 ARG B CB 4814 C CG . ARG B 206 ? 0.4313 0.3311 0.3377 0.0468 0.0032 0.0009 205 ARG B CG 4815 C CD . ARG B 206 ? 0.5189 0.4017 0.4093 0.0473 0.0034 0.0024 205 ARG B CD 4816 N NE . ARG B 206 ? 0.6036 0.4751 0.4802 0.0572 0.0000 0.0017 205 ARG B NE 4817 C CZ . ARG B 206 ? 0.6581 0.5340 0.5353 0.0646 -0.0043 0.0001 205 ARG B CZ 4818 N NH1 . ARG B 206 ? 0.6589 0.5505 0.5500 0.0627 -0.0054 -0.0006 205 ARG B NH1 4819 N NH2 . ARG B 206 ? 0.6855 0.5495 0.5487 0.0745 -0.0082 -0.0009 205 ARG B NH2 4820 N N . VAL B 207 ? 0.3021 0.2455 0.2500 0.0378 0.0036 -0.0009 206 VAL B N 4821 C CA . VAL B 207 ? 0.2969 0.2541 0.2553 0.0407 0.0020 -0.0032 206 VAL B CA 4822 C C . VAL B 207 ? 0.2792 0.2460 0.2459 0.0410 0.0036 -0.0054 206 VAL B C 4823 O O . VAL B 207 ? 0.2930 0.2671 0.2640 0.0467 0.0026 -0.0087 206 VAL B O 4824 C CB . VAL B 207 ? 0.2849 0.2490 0.2508 0.0358 0.0020 -0.0025 206 VAL B CB 4825 C CG1 . VAL B 207 ? 0.2985 0.2771 0.2759 0.0376 0.0008 -0.0053 206 VAL B CG1 4826 C CG2 . VAL B 207 ? 0.3067 0.2614 0.2639 0.0359 0.0011 -0.0011 206 VAL B CG2 4827 N N . LEU B 208 ? 0.2620 0.2285 0.2306 0.0352 0.0061 -0.0041 207 LEU B N 4828 C CA . LEU B 208 ? 0.2629 0.2361 0.2371 0.0341 0.0087 -0.0060 207 LEU B CA 4829 C C . LEU B 208 ? 0.2748 0.2437 0.2436 0.0389 0.0097 -0.0075 207 LEU B C 4830 O O . LEU B 208 ? 0.2582 0.2353 0.2330 0.0411 0.0116 -0.0108 207 LEU B O 4831 C CB . LEU B 208 ? 0.2678 0.2381 0.2417 0.0273 0.0102 -0.0040 207 LEU B CB 4832 C CG . LEU B 208 ? 0.2567 0.2327 0.2373 0.0230 0.0096 -0.0032 207 LEU B CG 4833 C CD1 . LEU B 208 ? 0.2667 0.2371 0.2448 0.0179 0.0094 -0.0013 207 LEU B CD1 4834 C CD2 . LEU B 208 ? 0.2602 0.2473 0.2495 0.0225 0.0114 -0.0058 207 LEU B CD2 4835 N N . ALA B 209 ? 0.2726 0.2282 0.2300 0.0401 0.0089 -0.0056 208 ALA B N 4836 C CA . ALA B 209 ? 0.2922 0.2415 0.2427 0.0446 0.0098 -0.0068 208 ALA B CA 4837 C C . ALA B 209 ? 0.3101 0.2634 0.2616 0.0535 0.0078 -0.0100 208 ALA B C 4838 O O . ALA B 209 ? 0.3085 0.2689 0.2650 0.0573 0.0093 -0.0136 208 ALA B O 4839 C CB . ALA B 209 ? 0.2955 0.2285 0.2328 0.0431 0.0096 -0.0042 208 ALA B CB 4840 N N . SER B 210 ? 0.3217 0.2699 0.2680 0.0570 0.0043 -0.0092 209 SER B N 4841 C CA . SER B 210 ? 0.3532 0.2998 0.2954 0.0668 0.0008 -0.0119 209 SER B CA 4842 C C . SER B 210 ? 0.3669 0.3209 0.3141 0.0707 -0.0032 -0.0136 209 SER B C 4843 O O . SER B 210 ? 0.3909 0.3434 0.3343 0.0798 -0.0073 -0.0163 209 SER B O 4844 C CB . SER B 210 ? 0.3900 0.3157 0.3134 0.0699 0.0000 -0.0096 209 SER B CB 4845 O OG . SER B 210 ? 0.3979 0.3118 0.3125 0.0637 0.0007 -0.0056 209 SER B OG 4846 N N . GLY B 211 ? 0.3614 0.3233 0.3168 0.0643 -0.0025 -0.0124 210 GLY B N 4847 C CA . GLY B 211 ? 0.3771 0.3466 0.3377 0.0671 -0.0062 -0.0141 210 GLY B CA 4848 C C . GLY B 211 ? 0.4193 0.3734 0.3653 0.0683 -0.0088 -0.0110 210 GLY B C 4849 O O . GLY B 211 ? 0.4276 0.3647 0.3586 0.0689 -0.0081 -0.0084 210 GLY B O 4850 N N . ASP B 212 ? 0.4546 0.4135 0.4039 0.0680 -0.0112 -0.0113 211 ASP B N 4851 C CA . ASP B 212 ? 0.4878 0.4316 0.4224 0.0691 -0.0131 -0.0088 211 ASP B CA 4852 C C . ASP B 212 ? 0.5116 0.4616 0.4483 0.0761 -0.0189 -0.0120 211 ASP B C 4853 O O . ASP B 212 ? 0.4881 0.4509 0.4366 0.0727 -0.0193 -0.0132 211 ASP B O 4854 C CB . ASP B 212 ? 0.4902 0.4316 0.4255 0.0589 -0.0090 -0.0052 211 ASP B CB 4855 C CG . ASP B 212 ? 0.5476 0.4719 0.4667 0.0584 -0.0091 -0.0027 211 ASP B CG 4856 O OD1 . ASP B 212 ? 0.5642 0.4760 0.4688 0.0660 -0.0126 -0.0032 211 ASP B OD1 4857 O OD2 . ASP B 212 ? 0.6264 0.5492 0.5467 0.0505 -0.0055 -0.0006 211 ASP B OD2 4858 N N . ASN B 213 ? 0.5431 0.4829 0.4673 0.0861 -0.0240 -0.0136 212 ASN B N 4859 C CA . ASN B 213 ? 0.6118 0.5552 0.5355 0.0943 -0.0310 -0.0173 212 ASN B CA 4860 C C . ASN B 213 ? 0.6919 0.6162 0.5962 0.0947 -0.0327 -0.0140 212 ASN B C 4861 O O . ASN B 213 ? 0.6856 0.6063 0.5827 0.1033 -0.0396 -0.0166 212 ASN B O 4862 C CB . ASN B 213 ? 0.6324 0.5778 0.5552 0.1067 -0.0369 -0.0223 212 ASN B CB 4863 C CG . ASN B 213 ? 0.6811 0.6009 0.5793 0.1129 -0.0384 -0.0197 212 ASN B CG 4864 O OD1 . ASN B 213 ? 0.6771 0.5786 0.5601 0.1066 -0.0339 -0.0143 212 ASN B OD1 4865 N ND2 . ASN B 213 ? 0.7156 0.6340 0.6099 0.1252 -0.0445 -0.0240 212 ASN B ND2 4866 N N . ASN B 214 ? 0.7365 0.6480 0.6318 0.0857 -0.0265 -0.0090 213 ASN B N 4867 C CA . ASN B 214 ? 0.8240 0.7203 0.7044 0.0829 -0.0256 -0.0062 213 ASN B CA 4868 C C . ASN B 214 ? 0.8822 0.7560 0.7377 0.0923 -0.0306 -0.0061 213 ASN B C 4869 O O . ASN B 214 ? 0.9076 0.7710 0.7514 0.0921 -0.0316 -0.0051 213 ASN B O 4870 C CB . ASN B 214 ? 0.8630 0.7755 0.7576 0.0802 -0.0272 -0.0079 213 ASN B CB 4871 C CG . ASN B 214 ? 0.9050 0.8064 0.7898 0.0737 -0.0237 -0.0048 213 ASN B CG 4872 O OD1 . ASN B 214 ? 0.9585 0.8405 0.8266 0.0700 -0.0192 -0.0016 213 ASN B OD1 4873 N ND2 . ASN B 214 ? 0.9139 0.8276 0.8094 0.0716 -0.0251 -0.0062 213 ASN B ND2 4874 N N . ARG B 215 ? 0.9865 0.8519 0.8330 0.1007 -0.0338 -0.0074 214 ARG B N 4875 C CA . ARG B 215 ? 1.0845 0.9263 0.9051 0.1119 -0.0398 -0.0078 214 ARG B CA 4876 C C . ARG B 215 ? 1.0835 0.9336 0.9069 0.1232 -0.0500 -0.0126 214 ARG B C 4877 O O . ARG B 215 ? 1.1730 1.0028 0.9735 0.1317 -0.0557 -0.0127 214 ARG B O 4878 C CB . ARG B 215 ? 1.1441 0.9564 0.9376 0.1065 -0.0347 -0.0029 214 ARG B CB 4879 C CG . ARG B 215 ? 1.1736 0.9751 0.9617 0.0972 -0.0259 0.0005 214 ARG B CG 4880 C CD . ARG B 215 ? 1.2243 1.0044 0.9939 0.0880 -0.0187 0.0042 214 ARG B CD 4881 N NE . ARG B 215 ? 1.2291 1.0252 1.0159 0.0774 -0.0139 0.0047 214 ARG B NE 4882 C CZ . ARG B 215 ? 1.2486 1.0468 1.0349 0.0773 -0.0156 0.0044 214 ARG B CZ 4883 N NH1 . ARG B 215 ? 1.2792 1.0653 1.0489 0.0874 -0.0227 0.0033 214 ARG B NH1 4884 N NH2 . ARG B 215 ? 1.2156 1.0283 1.0182 0.0675 -0.0106 0.0048 214 ARG B NH2 4885 N N . ILE B 216 ? 1.0310 0.9105 0.8821 0.1229 -0.0520 -0.0169 215 ILE B N 4886 C CA . ILE B 216 ? 0.9777 0.8721 0.8387 0.1338 -0.0617 -0.0236 215 ILE B CA 4887 C C . ILE B 216 ? 0.9950 0.8981 0.8641 0.1425 -0.0649 -0.0281 215 ILE B C 4888 O O . ILE B 216 ? 1.0187 0.9459 0.9126 0.1386 -0.0619 -0.0312 215 ILE B O 4889 C CB . ILE B 216 ? 0.9205 0.8421 0.8077 0.1269 -0.0607 -0.0263 215 ILE B CB 4890 C CG1 . ILE B 216 ? 0.8743 0.7859 0.7523 0.1188 -0.0573 -0.0219 215 ILE B CG1 4891 C CG2 . ILE B 216 ? 0.9284 0.8681 0.8289 0.1373 -0.0705 -0.0345 215 ILE B CG2 4892 C CD1 . ILE B 216 ? 0.8306 0.7638 0.7317 0.1078 -0.0522 -0.0220 215 ILE B CD1 4893 N N . PRO B 217 ? 1.0206 0.9027 0.8678 0.1541 -0.0703 -0.0286 216 PRO B N 4894 C CA . PRO B 217 ? 1.0204 0.9076 0.8727 0.1628 -0.0728 -0.0327 216 PRO B CA 4895 C C . PRO B 217 ? 0.9848 0.9016 0.8630 0.1711 -0.0795 -0.0421 216 PRO B C 4896 O O . PRO B 217 ? 1.0131 0.9409 0.9028 0.1753 -0.0789 -0.0461 216 PRO B O 4897 C CB . PRO B 217 ? 1.0814 0.9363 0.9005 0.1748 -0.0790 -0.0314 216 PRO B CB 4898 C CG . PRO B 217 ? 1.0769 0.9173 0.8790 0.1762 -0.0834 -0.0297 216 PRO B CG 4899 C CD . PRO B 217 ? 1.0677 0.9175 0.8816 0.1597 -0.0742 -0.0253 216 PRO B CD 4900 N N . VAL B 218 ? 0.9263 0.8558 0.8137 0.1736 -0.0856 -0.0462 217 VAL B N 4901 C CA . VAL B 218 ? 0.8832 0.8434 0.7981 0.1796 -0.0911 -0.0560 217 VAL B CA 4902 C C . VAL B 218 ? 0.8181 0.8053 0.7623 0.1664 -0.0816 -0.0571 217 VAL B C 4903 O O . VAL B 218 ? 0.7833 0.7970 0.7523 0.1689 -0.0832 -0.0654 217 VAL B O 4904 C CB . VAL B 218 ? 0.8993 0.8647 0.8148 0.1866 -0.1014 -0.0609 217 VAL B CB 4905 C CG1 . VAL B 218 ? 0.8837 0.8581 0.8088 0.1731 -0.0961 -0.0578 217 VAL B CG1 4906 C CG2 . VAL B 218 ? 0.9051 0.8972 0.8438 0.1978 -0.1100 -0.0729 217 VAL B CG2 4907 N N . ILE B 219 ? 0.7628 0.7430 0.7038 0.1525 -0.0716 -0.0492 218 ILE B N 4908 C CA . ILE B 219 ? 0.7177 0.7180 0.6814 0.1406 -0.0624 -0.0493 218 ILE B CA 4909 C C . ILE B 219 ? 0.6637 0.6536 0.6204 0.1378 -0.0557 -0.0453 218 ILE B C 4910 O O . ILE B 219 ? 0.6489 0.6166 0.5861 0.1339 -0.0525 -0.0381 218 ILE B O 4911 C CB . ILE B 219 ? 0.6937 0.6952 0.6604 0.1271 -0.0565 -0.0441 218 ILE B CB 4912 C CG1 . ILE B 219 ? 0.6956 0.7018 0.6637 0.1301 -0.0634 -0.0470 218 ILE B CG1 4913 C CG2 . ILE B 219 ? 0.6926 0.7147 0.6819 0.1162 -0.0485 -0.0453 218 ILE B CG2 4914 C CD1 . ILE B 219 ? 0.6988 0.7028 0.6665 0.1182 -0.0583 -0.0417 218 ILE B CD1 4915 N N . GLY B 220 ? 0.6225 0.6280 0.5948 0.1398 -0.0535 -0.0505 219 GLY B N 4916 C CA . GLY B 220 ? 0.6318 0.6280 0.5980 0.1366 -0.0468 -0.0470 219 GLY B CA 4917 C C . GLY B 220 ? 0.6080 0.6021 0.5757 0.1214 -0.0378 -0.0402 219 GLY B C 4918 O O . GLY B 220 ? 0.5660 0.5763 0.5497 0.1135 -0.0348 -0.0412 219 GLY B O 4919 N N . PRO B 221 ? 0.5989 0.5727 0.5496 0.1175 -0.0338 -0.0336 220 PRO B N 4920 C CA . PRO B 221 ? 0.5567 0.5301 0.5103 0.1040 -0.0261 -0.0282 220 PRO B CA 4921 C C . PRO B 221 ? 0.5329 0.5248 0.5056 0.0982 -0.0203 -0.0311 220 PRO B C 4922 O O . PRO B 221 ? 0.4671 0.4663 0.4484 0.0885 -0.0159 -0.0292 220 PRO B O 4923 C CB . PRO B 221 ? 0.5839 0.5331 0.5166 0.1025 -0.0237 -0.0225 220 PRO B CB 4924 C CG . PRO B 221 ? 0.6234 0.5647 0.5469 0.1144 -0.0278 -0.0257 220 PRO B CG 4925 C CD . PRO B 221 ? 0.6228 0.5739 0.5519 0.1247 -0.0358 -0.0314 220 PRO B CD 4926 N N . LEU B 222 ? 0.5397 0.5378 0.5175 0.1044 -0.0201 -0.0359 221 LEU B N 4927 C CA . LEU B 222 ? 0.5428 0.5564 0.5364 0.0986 -0.0135 -0.0389 221 LEU B CA 4928 C C . LEU B 222 ? 0.5185 0.5552 0.5330 0.0957 -0.0129 -0.0446 221 LEU B C 4929 O O . LEU B 222 ? 0.4921 0.5384 0.5172 0.0870 -0.0063 -0.0453 221 LEU B O 4930 C CB . LEU B 222 ? 0.5618 0.5754 0.5549 0.1059 -0.0126 -0.0431 221 LEU B CB 4931 C CG . LEU B 222 ? 0.6011 0.5917 0.5737 0.1079 -0.0120 -0.0380 221 LEU B CG 4932 C CD1 . LEU B 222 ? 0.6151 0.6086 0.5899 0.1145 -0.0103 -0.0429 221 LEU B CD1 4933 C CD2 . LEU B 222 ? 0.6108 0.5904 0.5759 0.0961 -0.0064 -0.0308 221 LEU B CD2 4934 N N . LYS B 223 ? 0.5180 0.5620 0.5371 0.1028 -0.0199 -0.0489 222 LYS B N 4935 C CA . LYS B 223 ? 0.4950 0.5606 0.5336 0.1002 -0.0203 -0.0548 222 LYS B CA 4936 C C . LYS B 223 ? 0.4592 0.5223 0.4970 0.0894 -0.0177 -0.0494 222 LYS B C 4937 O O . LYS B 223 ? 0.4452 0.5199 0.4954 0.0805 -0.0119 -0.0507 222 LYS B O 4938 C CB . LYS B 223 ? 0.5255 0.5978 0.5672 0.1124 -0.0302 -0.0613 222 LYS B CB 4939 C CG . LYS B 223 ? 0.5360 0.6312 0.5980 0.1116 -0.0326 -0.0690 222 LYS B CG 4940 C CD . LYS B 223 ? 0.5229 0.6403 0.6073 0.1054 -0.0250 -0.0760 222 LYS B CD 4941 C CE . LYS B 223 ? 0.5477 0.6722 0.6385 0.1123 -0.0234 -0.0823 222 LYS B CE 4942 N NZ . LYS B 223 ? 0.5468 0.6893 0.6521 0.1241 -0.0310 -0.0935 222 LYS B NZ 4943 N N . ILE B 224 ? 0.4553 0.5020 0.4774 0.0900 -0.0214 -0.0433 223 ILE B N 4944 C CA . ILE B 224 ? 0.4268 0.4707 0.4478 0.0808 -0.0193 -0.0384 223 ILE B CA 4945 C C . ILE B 224 ? 0.4032 0.4416 0.4224 0.0702 -0.0115 -0.0331 223 ILE B C 4946 O O . ILE B 224 ? 0.3556 0.3974 0.3796 0.0619 -0.0085 -0.0312 223 ILE B O 4947 C CB . ILE B 224 ? 0.4757 0.5026 0.4797 0.0840 -0.0243 -0.0338 223 ILE B CB 4948 C CG1 . ILE B 224 ? 0.5014 0.5299 0.5079 0.0761 -0.0232 -0.0311 223 ILE B CG1 4949 C CG2 . ILE B 224 ? 0.4890 0.4946 0.4744 0.0838 -0.0225 -0.0277 223 ILE B CG2 4950 C CD1 . ILE B 224 ? 0.5152 0.5627 0.5379 0.0763 -0.0258 -0.0373 223 ILE B CD1 4951 N N . ARG B 225 ? 0.3499 0.3794 0.3618 0.0711 -0.0088 -0.0313 224 ARG B N 4952 C CA . ARG B 225 ? 0.3330 0.3569 0.3425 0.0623 -0.0024 -0.0271 224 ARG B CA 4953 C C . ARG B 225 ? 0.3141 0.3525 0.3380 0.0552 0.0026 -0.0301 224 ARG B C 4954 O O . ARG B 225 ? 0.3013 0.3359 0.3237 0.0471 0.0063 -0.0264 224 ARG B O 4955 C CB . ARG B 225 ? 0.3367 0.3515 0.3378 0.0657 -0.0007 -0.0265 224 ARG B CB 4956 C CG . ARG B 225 ? 0.3350 0.3411 0.3305 0.0578 0.0044 -0.0221 224 ARG B CG 4957 C CD . ARG B 225 ? 0.3390 0.3357 0.3258 0.0614 0.0059 -0.0220 224 ARG B CD 4958 N NE . ARG B 225 ? 0.3442 0.3526 0.3404 0.0655 0.0081 -0.0280 224 ARG B NE 4959 C CZ . ARG B 225 ? 0.3589 0.3619 0.3497 0.0698 0.0097 -0.0295 224 ARG B CZ 4960 N NH1 . ARG B 225 ? 0.3602 0.3456 0.3356 0.0703 0.0091 -0.0250 224 ARG B NH1 4961 N NH2 . ARG B 225 ? 0.3751 0.3907 0.3763 0.0734 0.0121 -0.0359 224 ARG B NH2 4962 N N . GLU B 226 ? 0.3112 0.3656 0.3484 0.0584 0.0028 -0.0372 225 GLU B N 4963 C CA . GLU B 226 ? 0.3247 0.3927 0.3754 0.0511 0.0086 -0.0411 225 GLU B CA 4964 C C . GLU B 226 ? 0.3134 0.3820 0.3659 0.0438 0.0088 -0.0385 225 GLU B C 4965 O O . GLU B 226 ? 0.3047 0.3716 0.3574 0.0354 0.0143 -0.0367 225 GLU B O 4966 C CB . GLU B 226 ? 0.3552 0.4424 0.4220 0.0560 0.0082 -0.0506 225 GLU B CB 4967 C CG . GLU B 226 ? 0.4085 0.4970 0.4755 0.0638 0.0083 -0.0545 225 GLU B CG 4968 C CD . GLU B 226 ? 0.4801 0.5884 0.5637 0.0713 0.0054 -0.0648 225 GLU B CD 4969 O OE1 . GLU B 226 ? 0.5024 0.6255 0.5996 0.0681 0.0052 -0.0697 225 GLU B OE1 4970 O OE2 . GLU B 226 ? 0.5195 0.6296 0.6035 0.0804 0.0033 -0.0689 225 GLU B OE2 4971 N N . GLN B 227 ? 0.3040 0.3738 0.3565 0.0474 0.0028 -0.0384 226 GLN B N 4972 C CA . GLN B 227 ? 0.2932 0.3633 0.3471 0.0411 0.0027 -0.0361 226 GLN B CA 4973 C C . GLN B 227 ? 0.2879 0.3421 0.3292 0.0365 0.0039 -0.0284 226 GLN B C 4974 O O . GLN B 227 ? 0.2626 0.3155 0.3047 0.0291 0.0071 -0.0264 226 GLN B O 4975 C CB . GLN B 227 ? 0.3080 0.3822 0.3636 0.0464 -0.0042 -0.0382 226 GLN B CB 4976 C CG . GLN B 227 ? 0.2993 0.3740 0.3565 0.0401 -0.0042 -0.0363 226 GLN B CG 4977 C CD . GLN B 227 ? 0.3133 0.3722 0.3573 0.0376 -0.0046 -0.0288 226 GLN B CD 4978 O OE1 . GLN B 227 ? 0.3171 0.3740 0.3615 0.0306 -0.0019 -0.0263 226 GLN B OE1 4979 N NE2 . GLN B 227 ? 0.3120 0.3594 0.3445 0.0430 -0.0078 -0.0258 226 GLN B NE2 4980 N N . GLN B 228 ? 0.2696 0.3114 0.2992 0.0409 0.0014 -0.0247 227 GLN B N 4981 C CA . GLN B 228 ? 0.2672 0.2952 0.2863 0.0367 0.0022 -0.0184 227 GLN B CA 4982 C C . GLN B 228 ? 0.2416 0.2664 0.2600 0.0303 0.0072 -0.0165 227 GLN B C 4983 O O . GLN B 228 ? 0.2285 0.2487 0.2448 0.0249 0.0082 -0.0135 227 GLN B O 4984 C CB . GLN B 228 ? 0.2981 0.3133 0.3047 0.0422 -0.0006 -0.0158 227 GLN B CB 4985 C CG . GLN B 228 ? 0.3348 0.3488 0.3379 0.0479 -0.0058 -0.0168 227 GLN B CG 4986 C CD . GLN B 228 ? 0.3735 0.3735 0.3623 0.0547 -0.0087 -0.0153 227 GLN B CD 4987 O OE1 . GLN B 228 ? 0.3696 0.3656 0.3545 0.0581 -0.0080 -0.0159 227 GLN B OE1 4988 N NE2 . GLN B 228 ? 0.3950 0.3865 0.3747 0.0569 -0.0118 -0.0137 227 GLN B NE2 4989 N N . ARG B 229 ? 0.2411 0.2682 0.2610 0.0312 0.0103 -0.0189 228 ARG B N 4990 C CA . ARG B 229 ? 0.2366 0.2593 0.2538 0.0255 0.0151 -0.0175 228 ARG B CA 4991 C C . ARG B 229 ? 0.2360 0.2645 0.2595 0.0189 0.0185 -0.0189 228 ARG B C 4992 O O . ARG B 229 ? 0.2417 0.2623 0.2595 0.0137 0.0206 -0.0161 228 ARG B O 4993 C CB . ARG B 229 ? 0.2516 0.2755 0.2686 0.0281 0.0183 -0.0204 228 ARG B CB 4994 C CG . ARG B 229 ? 0.2511 0.2644 0.2581 0.0332 0.0161 -0.0182 228 ARG B CG 4995 C CD . ARG B 229 ? 0.2663 0.2820 0.2741 0.0365 0.0193 -0.0219 228 ARG B CD 4996 N NE . ARG B 229 ? 0.2603 0.2636 0.2567 0.0406 0.0177 -0.0194 228 ARG B NE 4997 C CZ . ARG B 229 ? 0.2689 0.2701 0.2624 0.0438 0.0201 -0.0216 228 ARG B CZ 4998 N NH1 . ARG B 229 ? 0.2641 0.2759 0.2663 0.0436 0.0248 -0.0267 228 ARG B NH1 4999 N NH2 . ARG B 229 ? 0.2688 0.2570 0.2505 0.0471 0.0184 -0.0190 228 ARG B NH2 5000 N N . SER B 230 ? 0.2336 0.2754 0.2681 0.0193 0.0188 -0.0238 229 SER B N 5001 C CA . SER B 230 ? 0.2378 0.2851 0.2783 0.0123 0.0230 -0.0260 229 SER B CA 5002 C C . SER B 230 ? 0.2392 0.2809 0.2764 0.0085 0.0210 -0.0222 229 SER B C 5003 O O . SER B 230 ? 0.2541 0.2935 0.2905 0.0020 0.0246 -0.0221 229 SER B O 5004 C CB . SER B 230 ? 0.2340 0.2984 0.2888 0.0134 0.0238 -0.0332 229 SER B CB 5005 O OG . SER B 230 ? 0.2186 0.2884 0.2778 0.0167 0.0179 -0.0338 229 SER B OG 5006 N N . ALA B 231 ? 0.2365 0.2746 0.2705 0.0123 0.0156 -0.0192 230 ALA B N 5007 C CA . ALA B 231 ? 0.2446 0.2778 0.2758 0.0094 0.0136 -0.0160 230 ALA B CA 5008 C C . ALA B 231 ? 0.2488 0.2693 0.2706 0.0068 0.0141 -0.0115 230 ALA B C 5009 O O . ALA B 231 ? 0.2478 0.2617 0.2639 0.0094 0.0124 -0.0091 230 ALA B O 5010 C CB . ALA B 231 ? 0.2528 0.2869 0.2839 0.0141 0.0086 -0.0153 230 ALA B CB 5011 N N . VAL B 232 ? 0.2456 0.2624 0.2656 0.0017 0.0162 -0.0108 231 VAL B N 5012 C CA . VAL B 232 ? 0.2543 0.2592 0.2654 0.0000 0.0156 -0.0074 231 VAL B CA 5013 C C . VAL B 232 ? 0.2478 0.2492 0.2574 0.0023 0.0111 -0.0048 231 VAL B C 5014 O O . VAL B 232 ? 0.2406 0.2345 0.2445 0.0027 0.0097 -0.0028 231 VAL B O 5015 C CB . VAL B 232 ? 0.2647 0.2647 0.2728 -0.0049 0.0174 -0.0072 231 VAL B CB 5016 C CG1 . VAL B 232 ? 0.2665 0.2535 0.2644 -0.0055 0.0157 -0.0043 231 VAL B CG1 5017 C CG2 . VAL B 232 ? 0.2791 0.2820 0.2885 -0.0089 0.0233 -0.0104 231 VAL B CG2 5018 N N . SER B 233 ? 0.2374 0.2442 0.2519 0.0035 0.0091 -0.0052 232 SER B N 5019 C CA . SER B 233 ? 0.2410 0.2447 0.2542 0.0048 0.0063 -0.0034 232 SER B CA 5020 C C . SER B 233 ? 0.2348 0.2344 0.2439 0.0076 0.0055 -0.0024 232 SER B C 5021 O O . SER B 233 ? 0.2485 0.2433 0.2552 0.0071 0.0043 -0.0011 232 SER B O 5022 C CB . SER B 233 ? 0.2349 0.2439 0.2523 0.0056 0.0050 -0.0043 232 SER B CB 5023 O OG . SER B 233 ? 0.2374 0.2528 0.2576 0.0086 0.0048 -0.0064 232 SER B OG 5024 N N . THR B 234 ? 0.2367 0.2382 0.2450 0.0103 0.0065 -0.0035 233 THR B N 5025 C CA . THR B 234 ? 0.2487 0.2442 0.2513 0.0130 0.0060 -0.0025 233 THR B CA 5026 C C . THR B 234 ? 0.2458 0.2338 0.2435 0.0109 0.0063 -0.0011 233 THR B C 5027 O O . THR B 234 ? 0.2502 0.2326 0.2445 0.0104 0.0052 0.0000 233 THR B O 5028 C CB . THR B 234 ? 0.2535 0.2522 0.2560 0.0172 0.0065 -0.0044 233 THR B CB 5029 O OG1 . THR B 234 ? 0.2486 0.2550 0.2562 0.0198 0.0051 -0.0065 233 THR B OG1 5030 C CG2 . THR B 234 ? 0.2746 0.2650 0.2692 0.0204 0.0057 -0.0033 233 THR B CG2 5031 N N . SER B 235 ? 0.2381 0.2256 0.2350 0.0091 0.0080 -0.0015 234 SER B N 5032 C CA . SER B 235 ? 0.2348 0.2140 0.2255 0.0075 0.0076 -0.0004 234 SER B CA 5033 C C . SER B 235 ? 0.2345 0.2108 0.2256 0.0054 0.0047 0.0003 234 SER B C 5034 O O . SER B 235 ? 0.2253 0.1958 0.2128 0.0050 0.0026 0.0006 234 SER B O 5035 C CB . SER B 235 ? 0.2509 0.2283 0.2384 0.0060 0.0106 -0.0011 234 SER B CB 5036 O OG . SER B 235 ? 0.2750 0.2553 0.2628 0.0085 0.0132 -0.0026 234 SER B OG 5037 N N . TRP B 236 ? 0.2298 0.2104 0.2256 0.0042 0.0042 0.0000 235 TRP B N 5038 C CA . TRP B 236 ? 0.2171 0.1962 0.2146 0.0031 0.0013 0.0001 235 TRP B CA 5039 C C . TRP B 236 ? 0.2253 0.2047 0.2252 0.0034 -0.0001 -0.0002 235 TRP B C 5040 O O . TRP B 236 ? 0.2420 0.2198 0.2434 0.0026 -0.0027 -0.0011 235 TRP B O 5041 C CB . TRP B 236 ? 0.2184 0.2025 0.2207 0.0022 0.0017 -0.0002 235 TRP B CB 5042 C CG . TRP B 236 ? 0.2147 0.1980 0.2194 0.0016 -0.0010 -0.0007 235 TRP B CG 5043 C CD1 . TRP B 236 ? 0.2296 0.2073 0.2315 0.0019 -0.0042 -0.0010 235 TRP B CD1 5044 C CD2 . TRP B 236 ? 0.2179 0.2062 0.2283 0.0014 -0.0012 -0.0013 235 TRP B CD2 5045 N NE1 . TRP B 236 ? 0.2303 0.2101 0.2368 0.0022 -0.0064 -0.0022 235 TRP B NE1 5046 C CE2 . TRP B 236 ? 0.2377 0.2239 0.2494 0.0016 -0.0042 -0.0023 235 TRP B CE2 5047 C CE3 . TRP B 236 ? 0.2296 0.2235 0.2435 0.0015 0.0004 -0.0016 235 TRP B CE3 5048 C CZ2 . TRP B 236 ? 0.2324 0.2223 0.2493 0.0015 -0.0047 -0.0034 235 TRP B CZ2 5049 C CZ3 . TRP B 236 ? 0.2260 0.2224 0.2437 0.0012 -0.0001 -0.0023 235 TRP B CZ3 5050 C CH2 . TRP B 236 ? 0.2308 0.2254 0.2502 0.0010 -0.0023 -0.0032 235 TRP B CH2 5051 N N . LEU B 237 ? 0.2293 0.2105 0.2294 0.0045 0.0015 0.0000 236 LEU B N 5052 C CA . LEU B 237 ? 0.2492 0.2288 0.2497 0.0038 0.0016 -0.0005 236 LEU B CA 5053 C C . LEU B 237 ? 0.2430 0.2164 0.2381 0.0038 0.0020 -0.0005 236 LEU B C 5054 O O . LEU B 237 ? 0.2321 0.2026 0.2256 0.0027 0.0032 -0.0010 236 LEU B O 5055 C CB . LEU B 237 ? 0.2774 0.2595 0.2785 0.0048 0.0031 -0.0003 236 LEU B CB 5056 C CG . LEU B 237 ? 0.3236 0.3113 0.3305 0.0040 0.0026 -0.0008 236 LEU B CG 5057 C CD1 . LEU B 237 ? 0.3589 0.3472 0.3643 0.0053 0.0038 -0.0008 236 LEU B CD1 5058 C CD2 . LEU B 237 ? 0.3576 0.3460 0.3691 0.0017 0.0015 -0.0022 236 LEU B CD2 5059 N N . LEU B 238 ? 0.2297 0.1998 0.2207 0.0045 0.0014 -0.0001 237 LEU B N 5060 C CA . LEU B 238 ? 0.2365 0.1999 0.2222 0.0040 0.0011 -0.0004 237 LEU B CA 5061 C C . LEU B 238 ? 0.2261 0.1896 0.2159 0.0010 -0.0010 -0.0025 237 LEU B C 5062 O O . LEU B 238 ? 0.2316 0.1990 0.2268 0.0005 -0.0034 -0.0035 237 LEU B O 5063 C CB . LEU B 238 ? 0.2391 0.1981 0.2190 0.0051 0.0008 0.0000 237 LEU B CB 5064 C CG . LEU B 238 ? 0.2462 0.2055 0.2227 0.0079 0.0035 0.0008 237 LEU B CG 5065 C CD1 . LEU B 238 ? 0.2701 0.2260 0.2421 0.0079 0.0041 0.0009 237 LEU B CD1 5066 C CD2 . LEU B 238 ? 0.2599 0.2140 0.2310 0.0097 0.0047 0.0009 237 LEU B CD2 5067 N N . PRO B 239 ? 0.2220 0.1810 0.2093 -0.0007 -0.0002 -0.0037 238 PRO B N 5068 C CA . PRO B 239 ? 0.2276 0.1881 0.2204 -0.0040 -0.0020 -0.0069 238 PRO B CA 5069 C C . PRO B 239 ? 0.2334 0.1957 0.2293 -0.0033 -0.0072 -0.0086 238 PRO B C 5070 O O . PRO B 239 ? 0.2467 0.2040 0.2359 -0.0013 -0.0091 -0.0073 238 PRO B O 5071 C CB . PRO B 239 ? 0.2284 0.1813 0.2148 -0.0059 -0.0003 -0.0077 238 PRO B CB 5072 C CG . PRO B 239 ? 0.2319 0.1802 0.2109 -0.0040 0.0033 -0.0049 238 PRO B CG 5073 C CD . PRO B 239 ? 0.2264 0.1784 0.2054 0.0000 0.0024 -0.0025 238 PRO B CD 5074 N N . TYR B 240 ? 0.2410 0.2097 0.2464 -0.0046 -0.0095 -0.0119 239 TYR B N 5075 C CA . TYR B 240 ? 0.2484 0.2186 0.2569 -0.0030 -0.0157 -0.0144 239 TYR B CA 5076 C C . TYR B 240 ? 0.2520 0.2242 0.2661 -0.0052 -0.0187 -0.0195 239 TYR B C 5077 O O . TYR B 240 ? 0.2447 0.2204 0.2646 -0.0092 -0.0151 -0.0221 239 TYR B O 5078 C CB . TYR B 240 ? 0.2544 0.2314 0.2707 -0.0017 -0.0171 -0.0154 239 TYR B CB 5079 C CG . TYR B 240 ? 0.2526 0.2275 0.2637 0.0004 -0.0157 -0.0113 239 TYR B CG 5080 C CD1 . TYR B 240 ? 0.2485 0.2252 0.2592 -0.0003 -0.0106 -0.0088 239 TYR B CD1 5081 C CD2 . TYR B 240 ? 0.2705 0.2408 0.2765 0.0032 -0.0197 -0.0105 239 TYR B CD2 5082 C CE1 . TYR B 240 ? 0.2528 0.2291 0.2603 0.0011 -0.0094 -0.0060 239 TYR B CE1 5083 C CE2 . TYR B 240 ? 0.2657 0.2338 0.2669 0.0040 -0.0175 -0.0074 239 TYR B CE2 5084 C CZ . TYR B 240 ? 0.2623 0.2346 0.2656 0.0028 -0.0124 -0.0055 239 TYR B CZ 5085 O OH . TYR B 240 ? 0.2733 0.2447 0.2732 0.0032 -0.0103 -0.0033 239 TYR B OH 5086 N N . ASN B 241 ? 0.2775 0.2469 0.2894 -0.0028 -0.0253 -0.0214 240 ASN B N 5087 C CA . ASN B 241 ? 0.3057 0.2779 0.3239 -0.0044 -0.0296 -0.0273 240 ASN B CA 5088 C C . ASN B 241 ? 0.3227 0.3071 0.3569 -0.0054 -0.0319 -0.0335 240 ASN B C 5089 O O . ASN B 241 ? 0.3351 0.3243 0.3772 -0.0074 -0.0349 -0.0396 240 ASN B O 5090 C CB . ASN B 241 ? 0.3502 0.3147 0.3599 -0.0010 -0.0369 -0.0280 240 ASN B CB 5091 C CG . ASN B 241 ? 0.3785 0.3397 0.3836 0.0042 -0.0422 -0.0266 240 ASN B CG 5092 O OD1 . ASN B 241 ? 0.3523 0.3197 0.3646 0.0055 -0.0423 -0.0272 240 ASN B OD1 5093 N ND2 . ASN B 241 ? 0.4180 0.3673 0.4092 0.0072 -0.0463 -0.0249 240 ASN B ND2 5094 N N . TYR B 242 ? 0.3014 0.2913 0.3411 -0.0040 -0.0306 -0.0328 241 TYR B N 5095 C CA . TYR B 242 ? 0.3343 0.3367 0.3904 -0.0052 -0.0316 -0.0394 241 TYR B CA 5096 C C . TYR B 242 ? 0.3462 0.3539 0.4095 -0.0119 -0.0230 -0.0413 241 TYR B C 5097 O O . TYR B 242 ? 0.3368 0.3552 0.4142 -0.0145 -0.0221 -0.0478 241 TYR B O 5098 C CB . TYR B 242 ? 0.3295 0.3352 0.3889 -0.0006 -0.0345 -0.0391 241 TYR B CB 5099 C CG . TYR B 242 ? 0.3439 0.3455 0.3960 -0.0003 -0.0291 -0.0325 241 TYR B CG 5100 C CD1 . TYR B 242 ? 0.3530 0.3596 0.4104 -0.0041 -0.0218 -0.0322 241 TYR B CD1 5101 C CD2 . TYR B 242 ? 0.3646 0.3570 0.4045 0.0033 -0.0312 -0.0273 241 TYR B CD2 5102 C CE1 . TYR B 242 ? 0.3601 0.3635 0.4113 -0.0034 -0.0178 -0.0269 241 TYR B CE1 5103 C CE2 . TYR B 242 ? 0.3727 0.3631 0.4079 0.0031 -0.0264 -0.0224 241 TYR B CE2 5104 C CZ . TYR B 242 ? 0.3581 0.3544 0.3992 0.0001 -0.0203 -0.0223 241 TYR B CZ 5105 O OH . TYR B 242 ? 0.3928 0.3874 0.4295 0.0002 -0.0164 -0.0181 241 TYR B OH 5106 N N . THR B 243 ? 0.3251 0.3245 0.3776 -0.0145 -0.0166 -0.0360 242 THR B N 5107 C CA . THR B 243 ? 0.3333 0.3325 0.3868 -0.0205 -0.0083 -0.0368 242 THR B CA 5108 C C . THR B 243 ? 0.3337 0.3253 0.3801 -0.0244 -0.0061 -0.0371 242 THR B C 5109 O O . THR B 243 ? 0.3476 0.3408 0.3988 -0.0306 -0.0015 -0.0416 242 THR B O 5110 C CB . THR B 243 ? 0.3537 0.3478 0.3985 -0.0195 -0.0030 -0.0305 242 THR B CB 5111 O OG1 . THR B 243 ? 0.3798 0.3813 0.4323 -0.0174 -0.0037 -0.0313 242 THR B OG1 5112 C CG2 . THR B 243 ? 0.3766 0.3653 0.4165 -0.0249 0.0051 -0.0302 242 THR B CG2 5113 N N A TRP B 244 ? 0.2982 0.2806 0.3324 -0.0211 -0.0088 -0.0325 243 TRP B N 5114 N N B TRP B 244 ? 0.3334 0.3158 0.3678 -0.0211 -0.0088 -0.0326 243 TRP B N 5115 C CA A TRP B 244 ? 0.2860 0.2588 0.3107 -0.0239 -0.0064 -0.0317 243 TRP B CA 5116 C CA B TRP B 244 ? 0.3413 0.3145 0.3667 -0.0242 -0.0065 -0.0322 243 TRP B CA 5117 C C A TRP B 244 ? 0.2974 0.2693 0.3221 -0.0229 -0.0132 -0.0349 243 TRP B C 5118 C C B TRP B 244 ? 0.3281 0.3002 0.3531 -0.0229 -0.0133 -0.0350 243 TRP B C 5119 O O A TRP B 244 ? 0.2904 0.2640 0.3157 -0.0178 -0.0200 -0.0346 243 TRP B O 5120 O O B TRP B 244 ? 0.3180 0.2916 0.3432 -0.0178 -0.0200 -0.0346 243 TRP B O 5121 C CB A TRP B 244 ? 0.2713 0.2340 0.2814 -0.0203 -0.0040 -0.0244 243 TRP B CB 5122 C CB B TRP B 244 ? 0.3676 0.3302 0.3782 -0.0215 -0.0032 -0.0252 243 TRP B CB 5123 C CG A TRP B 244 ? 0.2432 0.2055 0.2510 -0.0199 0.0014 -0.0209 243 TRP B CG 5124 C CG B TRP B 244 ? 0.3866 0.3446 0.3926 -0.0245 0.0040 -0.0236 243 TRP B CG 5125 C CD1 A TRP B 244 ? 0.2290 0.1969 0.2403 -0.0165 0.0004 -0.0188 243 TRP B CD1 5126 C CD1 B TRP B 244 ? 0.4041 0.3548 0.4052 -0.0301 0.0094 -0.0256 243 TRP B CD1 5127 C CD2 A TRP B 244 ? 0.2383 0.1925 0.2377 -0.0225 0.0079 -0.0193 243 TRP B CD2 5128 C CD2 B TRP B 244 ? 0.3774 0.3352 0.3805 -0.0220 0.0068 -0.0198 243 TRP B CD2 5129 N NE1 A TRP B 244 ? 0.2233 0.1883 0.2301 -0.0168 0.0056 -0.0162 243 TRP B NE1 5130 N NE1 B TRP B 244 ? 0.3998 0.3445 0.3936 -0.0307 0.0153 -0.0227 243 TRP B NE1 5131 C CE2 A TRP B 244 ? 0.2343 0.1901 0.2329 -0.0201 0.0100 -0.0163 243 TRP B CE2 5132 C CE2 B TRP B 244 ? 0.3957 0.3455 0.3913 -0.0255 0.0134 -0.0193 243 TRP B CE2 5133 C CE3 A TRP B 244 ? 0.2525 0.1966 0.2434 -0.0266 0.0121 -0.0201 243 TRP B CE3 5134 C CE3 B TRP B 244 ? 0.3867 0.3496 0.3920 -0.0172 0.0043 -0.0169 243 TRP B CE3 5135 C CZ2 A TRP B 244 ? 0.2365 0.1840 0.2256 -0.0211 0.0154 -0.0143 243 TRP B CZ2 5136 C CZ2 B TRP B 244 ? 0.3921 0.3390 0.3824 -0.0236 0.0166 -0.0161 243 TRP B CZ2 5137 C CZ3 A TRP B 244 ? 0.2555 0.1903 0.2363 -0.0277 0.0180 -0.0179 243 TRP B CZ3 5138 C CZ3 B TRP B 244 ? 0.3742 0.3359 0.3761 -0.0160 0.0077 -0.0141 243 TRP B CZ3 5139 C CH2 A TRP B 244 ? 0.2535 0.1898 0.2331 -0.0246 0.0193 -0.0150 243 TRP B CH2 5140 C CH2 B TRP B 244 ? 0.3903 0.3442 0.3847 -0.0187 0.0134 -0.0136 243 TRP B CH2 5141 N N . SER B 245 ? 0.3188 0.2864 0.3415 -0.0277 -0.0114 -0.0379 244 SER B N 5142 C CA . SER B 245 ? 0.3430 0.3076 0.3633 -0.0269 -0.0176 -0.0406 244 SER B CA 5143 C C . SER B 245 ? 0.3539 0.3074 0.3586 -0.0213 -0.0200 -0.0342 244 SER B C 5144 O O . SER B 245 ? 0.3219 0.2674 0.3160 -0.0205 -0.0147 -0.0287 244 SER B O 5145 C CB . SER B 245 ? 0.3647 0.3244 0.3831 -0.0338 -0.0135 -0.0442 244 SER B CB 5146 O OG . SER B 245 ? 0.3850 0.3397 0.3984 -0.0327 -0.0194 -0.0460 244 SER B OG 5147 N N . PRO B 246 ? 0.3914 0.3440 0.3943 -0.0171 -0.0279 -0.0353 245 PRO B N 5148 C CA . PRO B 246 ? 0.4140 0.3551 0.4013 -0.0126 -0.0290 -0.0297 245 PRO B CA 5149 C C . PRO B 246 ? 0.4340 0.3641 0.4097 -0.0148 -0.0256 -0.0283 245 PRO B C 5150 O O . PRO B 246 ? 0.4552 0.3762 0.4184 -0.0115 -0.0243 -0.0236 245 PRO B O 5151 C CB . PRO B 246 ? 0.4408 0.3813 0.4273 -0.0085 -0.0385 -0.0324 245 PRO B CB 5152 C CG . PRO B 246 ? 0.4486 0.4024 0.4513 -0.0084 -0.0419 -0.0372 245 PRO B CG 5153 C CD . PRO B 246 ? 0.4144 0.3758 0.4283 -0.0152 -0.0363 -0.0413 245 PRO B CD 5154 N N . GLU B 247 ? 0.3979 0.3285 0.3777 -0.0204 -0.0239 -0.0328 246 GLU B N 5155 C CA . GLU B 247 ? 0.4398 0.3589 0.4082 -0.0229 -0.0204 -0.0319 246 GLU B CA 5156 C C . GLU B 247 ? 0.3896 0.3037 0.3532 -0.0256 -0.0115 -0.0288 246 GLU B C 5157 O O . GLU B 247 ? 0.3800 0.2825 0.3320 -0.0268 -0.0083 -0.0275 246 GLU B O 5158 C CB . GLU B 247 ? 0.4944 0.4143 0.4675 -0.0280 -0.0237 -0.0391 246 GLU B CB 5159 C CG . GLU B 247 ? 0.5760 0.4989 0.5521 -0.0250 -0.0339 -0.0433 246 GLU B CG 5160 C CD . GLU B 247 ? 0.6482 0.5627 0.6112 -0.0178 -0.0375 -0.0378 246 GLU B CD 5161 O OE1 . GLU B 247 ? 0.7269 0.6289 0.6749 -0.0166 -0.0348 -0.0339 246 GLU B OE1 5162 O OE2 . GLU B 247 ? 0.7009 0.6208 0.6681 -0.0136 -0.0427 -0.0379 246 GLU B OE2 5163 N N . LYS B 248 ? 0.3573 0.2782 0.3277 -0.0259 -0.0079 -0.0276 247 LYS B N 5164 C CA . LYS B 248 ? 0.3577 0.2715 0.3206 -0.0272 -0.0004 -0.0243 247 LYS B CA 5165 C C . LYS B 248 ? 0.3403 0.2454 0.2900 -0.0209 0.0005 -0.0182 247 LYS B C 5166 O O . LYS B 248 ? 0.3101 0.2199 0.2612 -0.0158 -0.0019 -0.0154 247 LYS B O 5167 C CB . LYS B 248 ? 0.3748 0.2969 0.3465 -0.0284 0.0027 -0.0243 247 LYS B CB 5168 C CG . LYS B 248 ? 0.3921 0.3039 0.3523 -0.0284 0.0094 -0.0204 247 LYS B CG 5169 C CD . LYS B 248 ? 0.4398 0.3559 0.4054 -0.0311 0.0138 -0.0210 247 LYS B CD 5170 C CE . LYS B 248 ? 0.4477 0.3505 0.3981 -0.0295 0.0191 -0.0169 247 LYS B CE 5171 N NZ . LYS B 248 ? 0.4785 0.3667 0.4172 -0.0346 0.0236 -0.0184 247 LYS B NZ 5172 N N . VAL B 249 ? 0.3372 0.2296 0.2742 -0.0212 0.0043 -0.0167 248 VAL B N 5173 C CA . VAL B 249 ? 0.3454 0.2303 0.2709 -0.0148 0.0055 -0.0120 248 VAL B CA 5174 C C . VAL B 249 ? 0.3428 0.2283 0.2672 -0.0123 0.0091 -0.0091 248 VAL B C 5175 O O . VAL B 249 ? 0.3504 0.2295 0.2706 -0.0157 0.0132 -0.0097 248 VAL B O 5176 C CB . VAL B 249 ? 0.3697 0.2395 0.2810 -0.0151 0.0073 -0.0120 248 VAL B CB 5177 C CG1 . VAL B 249 ? 0.3800 0.2432 0.2806 -0.0077 0.0087 -0.0080 248 VAL B CG1 5178 C CG2 . VAL B 249 ? 0.3869 0.2556 0.2984 -0.0173 0.0032 -0.0150 248 VAL B CG2 5179 N N . PHE B 250 ? 0.3226 0.2156 0.2507 -0.0069 0.0078 -0.0065 249 PHE B N 5180 C CA . PHE B 250 ? 0.3131 0.2075 0.2404 -0.0036 0.0101 -0.0041 249 PHE B CA 5181 C C . PHE B 250 ? 0.3225 0.2081 0.2380 0.0024 0.0114 -0.0018 249 PHE B C 5182 O O . PHE B 250 ? 0.3257 0.2062 0.2352 0.0049 0.0134 -0.0005 249 PHE B O 5183 C CB . PHE B 250 ? 0.3026 0.2101 0.2406 -0.0013 0.0079 -0.0032 249 PHE B CB 5184 C CG . PHE B 250 ? 0.3033 0.2198 0.2529 -0.0060 0.0068 -0.0055 249 PHE B CG 5185 C CD1 . PHE B 250 ? 0.2964 0.2136 0.2485 -0.0091 0.0097 -0.0063 249 PHE B CD1 5186 C CD2 . PHE B 250 ? 0.3021 0.2250 0.2591 -0.0070 0.0027 -0.0072 249 PHE B CD2 5187 C CE1 . PHE B 250 ? 0.2916 0.2181 0.2556 -0.0130 0.0090 -0.0091 249 PHE B CE1 5188 C CE2 . PHE B 250 ? 0.2949 0.2265 0.2632 -0.0102 0.0010 -0.0100 249 PHE B CE2 5189 C CZ . PHE B 250 ? 0.2807 0.2149 0.2534 -0.0133 0.0044 -0.0112 249 PHE B CZ 5190 N N . VAL B 251 ? 0.3165 0.1997 0.2281 0.0054 0.0101 -0.0015 250 VAL B N 5191 C CA . VAL B 251 ? 0.3230 0.1993 0.2249 0.0119 0.0112 -0.0002 250 VAL B CA 5192 C C . VAL B 251 ? 0.3392 0.2044 0.2313 0.0113 0.0113 -0.0011 250 VAL B C 5193 O O . VAL B 251 ? 0.3353 0.2029 0.2300 0.0094 0.0096 -0.0020 250 VAL B O 5194 C CB . VAL B 251 ? 0.3198 0.2067 0.2281 0.0172 0.0104 0.0003 250 VAL B CB 5195 C CG1 . VAL B 251 ? 0.3256 0.2072 0.2260 0.0242 0.0114 0.0003 250 VAL B CG1 5196 C CG2 . VAL B 251 ? 0.3236 0.2206 0.2406 0.0181 0.0100 0.0009 250 VAL B CG2 5197 N N . GLN B 252 ? 0.3585 0.2098 0.2378 0.0131 0.0132 -0.0008 251 GLN B N 5198 C CA . GLN B 252 ? 0.3796 0.2186 0.2477 0.0133 0.0136 -0.0016 251 GLN B CA 5199 C C . GLN B 252 ? 0.3923 0.2249 0.2511 0.0221 0.0144 -0.0007 251 GLN B C 5200 O O . GLN B 252 ? 0.3881 0.2189 0.2437 0.0271 0.0147 0.0000 251 GLN B O 5201 C CB . GLN B 252 ? 0.4167 0.2431 0.2770 0.0065 0.0154 -0.0029 251 GLN B CB 5202 C CG . GLN B 252 ? 0.4682 0.2796 0.3152 0.0061 0.0160 -0.0039 251 GLN B CG 5203 C CD . GLN B 252 ? 0.5170 0.3175 0.3582 -0.0024 0.0182 -0.0061 251 GLN B CD 5204 O OE1 . GLN B 252 ? 0.5608 0.3528 0.3954 -0.0043 0.0214 -0.0057 251 GLN B OE1 5205 N NE2 . GLN B 252 ? 0.5492 0.3501 0.3931 -0.0080 0.0167 -0.0088 251 GLN B NE2 5206 N N . THR B 253 ? 0.4028 0.2324 0.2574 0.0246 0.0143 -0.0014 252 THR B N 5207 C CA . THR B 253 ? 0.4260 0.2499 0.2725 0.0331 0.0152 -0.0017 252 THR B CA 5208 C C . THR B 253 ? 0.4635 0.2718 0.2965 0.0318 0.0160 -0.0025 252 THR B C 5209 O O . THR B 253 ? 0.4677 0.2727 0.3003 0.0244 0.0155 -0.0031 252 THR B O 5210 C CB . THR B 253 ? 0.4377 0.2761 0.2943 0.0379 0.0154 -0.0024 252 THR B CB 5211 O OG1 . THR B 253 ? 0.4534 0.2903 0.3083 0.0355 0.0161 -0.0032 252 THR B OG1 5212 C CG2 . THR B 253 ? 0.4186 0.2736 0.2904 0.0355 0.0145 -0.0019 252 THR B CG2 5213 N N . PRO B 254 ? 0.4887 0.2878 0.3113 0.0393 0.0170 -0.0031 253 PRO B N 5214 C CA . PRO B 254 ? 0.5386 0.3223 0.3477 0.0382 0.0179 -0.0040 253 PRO B CA 5215 C C . PRO B 254 ? 0.5539 0.3419 0.3666 0.0342 0.0176 -0.0049 253 PRO B C 5216 O O . PRO B 254 ? 0.5899 0.3659 0.3930 0.0303 0.0175 -0.0057 253 PRO B O 5217 C CB . PRO B 254 ? 0.5515 0.3279 0.3513 0.0488 0.0187 -0.0048 253 PRO B CB 5218 C CG . PRO B 254 ? 0.5465 0.3306 0.3520 0.0547 0.0175 -0.0044 253 PRO B CG 5219 C CD . PRO B 254 ? 0.5093 0.3124 0.3325 0.0494 0.0169 -0.0037 253 PRO B CD 5220 N N . THR B 255 ? 0.5420 0.3457 0.3672 0.0348 0.0175 -0.0050 254 THR B N 5221 C CA . THR B 255 ? 0.5442 0.3493 0.3695 0.0322 0.0175 -0.0058 254 THR B CA 5222 C C . THR B 255 ? 0.5248 0.3404 0.3606 0.0261 0.0151 -0.0053 254 THR B C 5223 O O . THR B 255 ? 0.5186 0.3326 0.3519 0.0238 0.0143 -0.0059 254 THR B O 5224 C CB . THR B 255 ? 0.5733 0.3841 0.4000 0.0387 0.0206 -0.0069 254 THR B CB 5225 O OG1 . THR B 255 ? 0.5576 0.3840 0.3976 0.0416 0.0212 -0.0068 254 THR B OG1 5226 C CG2 . THR B 255 ? 0.6152 0.4143 0.4301 0.0456 0.0226 -0.0082 254 THR B CG2 5227 N N . ILE B 256 ? 0.4569 0.2821 0.3032 0.0238 0.0138 -0.0044 255 ILE B N 5228 C CA . ILE B 256 ? 0.4424 0.2777 0.2989 0.0192 0.0113 -0.0042 255 ILE B CA 5229 C C . ILE B 256 ? 0.4290 0.2709 0.2945 0.0157 0.0099 -0.0037 255 ILE B C 5230 O O . ILE B 256 ? 0.4248 0.2671 0.2907 0.0184 0.0115 -0.0029 255 ILE B O 5231 C CB . ILE B 256 ? 0.4510 0.2964 0.3135 0.0222 0.0131 -0.0038 255 ILE B CB 5232 C CG1 . ILE B 256 ? 0.4651 0.3166 0.3337 0.0179 0.0103 -0.0036 255 ILE B CG1 5233 C CG2 . ILE B 256 ? 0.4582 0.3137 0.3289 0.0268 0.0152 -0.0034 255 ILE B CG2 5234 C CD1 . ILE B 256 ? 0.4740 0.3312 0.3446 0.0197 0.0130 -0.0035 255 ILE B CD1 5235 N N A ASN B 257 ? 0.4187 0.2650 0.2906 0.0102 0.0067 -0.0046 256 ASN B N 5236 N N B ASN B 257 ? 0.4179 0.2643 0.2899 0.0102 0.0067 -0.0046 256 ASN B N 5237 C CA A ASN B 257 ? 0.4066 0.2611 0.2889 0.0064 0.0056 -0.0049 256 ASN B CA 5238 C CA B ASN B 257 ? 0.4052 0.2597 0.2875 0.0065 0.0056 -0.0048 256 ASN B CA 5239 C C A ASN B 257 ? 0.3868 0.2541 0.2799 0.0069 0.0038 -0.0042 256 ASN B C 5240 C C B ASN B 257 ? 0.3863 0.2536 0.2794 0.0068 0.0038 -0.0042 256 ASN B C 5241 O O A ASN B 257 ? 0.4081 0.2755 0.2995 0.0076 0.0023 -0.0043 256 ASN B O 5242 O O B ASN B 257 ? 0.4084 0.2756 0.2996 0.0076 0.0023 -0.0043 256 ASN B O 5243 C CB A ASN B 257 ? 0.4145 0.2662 0.2982 -0.0001 0.0029 -0.0077 256 ASN B CB 5244 C CB B ASN B 257 ? 0.4133 0.2639 0.2958 0.0000 0.0031 -0.0076 256 ASN B CB 5245 C CG A ASN B 257 ? 0.4322 0.2723 0.3076 -0.0031 0.0053 -0.0088 256 ASN B CG 5246 C CG B ASN B 257 ? 0.4267 0.2634 0.2980 -0.0015 0.0057 -0.0084 256 ASN B CG 5247 O OD1 A ASN B 257 ? 0.4484 0.2811 0.3158 0.0001 0.0088 -0.0071 256 ASN B OD1 5248 O OD1 B ASN B 257 ? 0.4471 0.2795 0.3143 0.0002 0.0090 -0.0070 256 ASN B OD1 5249 N ND2 A ASN B 257 ? 0.4454 0.2836 0.3226 -0.0095 0.0032 -0.0123 256 ASN B ND2 5250 N ND2 B ASN B 257 ? 0.4516 0.2801 0.3167 -0.0048 0.0039 -0.0108 256 ASN B ND2 5251 N N . TYR B 258 ? 0.3433 0.2197 0.2458 0.0062 0.0042 -0.0036 257 TYR B N 5252 C CA . TYR B 258 ? 0.3153 0.2028 0.2279 0.0058 0.0024 -0.0032 257 TYR B CA 5253 C C . TYR B 258 ? 0.3058 0.1997 0.2281 0.0014 0.0004 -0.0047 257 TYR B C 5254 O O . TYR B 258 ? 0.2999 0.1947 0.2244 0.0003 0.0027 -0.0046 257 TYR B O 5255 C CB . TYR B 258 ? 0.3043 0.1991 0.2208 0.0100 0.0050 -0.0014 257 TYR B CB 5256 C CG . TYR B 258 ? 0.3020 0.1935 0.2118 0.0146 0.0077 -0.0010 257 TYR B CG 5257 C CD1 . TYR B 258 ? 0.3009 0.1928 0.2090 0.0150 0.0083 -0.0011 257 TYR B CD1 5258 C CD2 . TYR B 258 ? 0.3166 0.2037 0.2213 0.0187 0.0100 -0.0009 257 TYR B CD2 5259 C CE1 . TYR B 258 ? 0.3072 0.1970 0.2103 0.0187 0.0119 -0.0015 257 TYR B CE1 5260 C CE2 . TYR B 258 ? 0.3197 0.2053 0.2200 0.0235 0.0126 -0.0015 257 TYR B CE2 5261 C CZ . TYR B 258 ? 0.3170 0.2047 0.2173 0.0231 0.0139 -0.0020 257 TYR B CZ 5262 O OH . TYR B 258 ? 0.3381 0.2252 0.2350 0.0274 0.0175 -0.0033 257 TYR B OH 5263 N N . THR B 259 ? 0.2999 0.1972 0.2268 -0.0007 -0.0038 -0.0065 258 THR B N 5264 C CA . THR B 259 ? 0.2804 0.1863 0.2187 -0.0039 -0.0064 -0.0088 258 THR B CA 5265 C C . THR B 259 ? 0.2678 0.1817 0.2120 -0.0015 -0.0078 -0.0073 258 THR B C 5266 O O . THR B 259 ? 0.2697 0.1820 0.2091 0.0015 -0.0064 -0.0050 258 THR B O 5267 C CB . THR B 259 ? 0.2920 0.1967 0.2321 -0.0070 -0.0115 -0.0129 258 THR B CB 5268 O OG1 . THR B 259 ? 0.2980 0.2004 0.2338 -0.0041 -0.0160 -0.0126 258 THR B OG1 5269 C CG2 . THR B 259 ? 0.3063 0.2014 0.2386 -0.0096 -0.0103 -0.0145 258 THR B CG2 5270 N N . LEU B 260 ? 0.2627 0.1848 0.2173 -0.0033 -0.0103 -0.0093 259 LEU B N 5271 C CA . LEU B 260 ? 0.2669 0.1949 0.2260 -0.0012 -0.0120 -0.0081 259 LEU B CA 5272 C C . LEU B 260 ? 0.2635 0.1861 0.2160 0.0007 -0.0164 -0.0082 259 LEU B C 5273 O O . LEU B 260 ? 0.2686 0.1924 0.2209 0.0025 -0.0173 -0.0069 259 LEU B O 5274 C CB . LEU B 260 ? 0.2709 0.2086 0.2424 -0.0031 -0.0134 -0.0104 259 LEU B CB 5275 C CG . LEU B 260 ? 0.2838 0.2246 0.2622 -0.0053 -0.0184 -0.0154 259 LEU B CG 5276 C CD1 . LEU B 260 ? 0.2896 0.2296 0.2670 -0.0022 -0.0251 -0.0164 259 LEU B CD1 5277 C CD2 . LEU B 260 ? 0.3051 0.2558 0.2961 -0.0082 -0.0165 -0.0178 259 LEU B CD2 5278 N N . ARG B 261 ? 0.2672 0.1821 0.2127 0.0003 -0.0193 -0.0099 260 ARG B N 5279 C CA . ARG B 261 ? 0.2729 0.1789 0.2077 0.0026 -0.0230 -0.0096 260 ARG B CA 5280 C C . ARG B 261 ? 0.2716 0.1694 0.1945 0.0042 -0.0180 -0.0064 260 ARG B C 5281 O O . ARG B 261 ? 0.2842 0.1724 0.1956 0.0056 -0.0196 -0.0059 260 ARG B O 5282 C CB . ARG B 261 ? 0.2875 0.1889 0.2199 0.0018 -0.0293 -0.0135 260 ARG B CB 5283 C CG . ARG B 261 ? 0.2969 0.2079 0.2428 0.0006 -0.0350 -0.0182 260 ARG B CG 5284 C CD . ARG B 261 ? 0.3120 0.2183 0.2545 0.0016 -0.0436 -0.0226 260 ARG B CD 5285 N NE . ARG B 261 ? 0.3127 0.2132 0.2502 -0.0008 -0.0432 -0.0245 260 ARG B NE 5286 C CZ . ARG B 261 ? 0.3238 0.2182 0.2558 -0.0003 -0.0501 -0.0283 260 ARG B CZ 5287 N NH1 . ARG B 261 ? 0.3401 0.2316 0.2688 0.0037 -0.0586 -0.0304 260 ARG B NH1 5288 N NH2 . ARG B 261 ? 0.3414 0.2309 0.2695 -0.0034 -0.0487 -0.0300 260 ARG B NH2 5289 N N . ASP B 262 ? 0.2637 0.1648 0.1887 0.0042 -0.0120 -0.0047 261 ASP B N 5290 C CA . ASP B 262 ? 0.2732 0.1685 0.1892 0.0060 -0.0070 -0.0029 261 ASP B CA 5291 C C . ASP B 262 ? 0.2655 0.1676 0.1857 0.0074 -0.0019 -0.0011 261 ASP B C 5292 O O . ASP B 262 ? 0.2631 0.1643 0.1802 0.0093 0.0028 -0.0006 261 ASP B O 5293 C CB . ASP B 262 ? 0.2830 0.1743 0.1958 0.0059 -0.0050 -0.0034 261 ASP B CB 5294 C CG . ASP B 262 ? 0.2965 0.1805 0.2045 0.0039 -0.0095 -0.0058 261 ASP B CG 5295 O OD1 . ASP B 262 ? 0.3033 0.1799 0.2032 0.0044 -0.0128 -0.0065 261 ASP B OD1 5296 O OD2 . ASP B 262 ? 0.3142 0.1990 0.2259 0.0016 -0.0096 -0.0073 261 ASP B OD2 5297 N N . TYR B 263 ? 0.2575 0.1667 0.1852 0.0068 -0.0028 -0.0007 262 TYR B N 5298 C CA . TYR B 263 ? 0.2545 0.1715 0.1876 0.0077 0.0016 0.0002 262 TYR B CA 5299 C C . TYR B 263 ? 0.2615 0.1747 0.1877 0.0082 0.0062 0.0004 262 TYR B C 5300 O O . TYR B 263 ? 0.2598 0.1791 0.1900 0.0095 0.0108 0.0001 262 TYR B O 5301 C CB . TYR B 263 ? 0.2517 0.1764 0.1937 0.0066 -0.0001 0.0004 262 TYR B CB 5302 C CG . TYR B 263 ? 0.2525 0.1835 0.2036 0.0058 -0.0024 -0.0002 262 TYR B CG 5303 C CD1 . TYR B 263 ? 0.2764 0.2083 0.2286 0.0062 -0.0005 -0.0003 262 TYR B CD1 5304 C CD2 . TYR B 263 ? 0.2687 0.2039 0.2262 0.0046 -0.0059 -0.0010 262 TYR B CD2 5305 C CE1 . TYR B 263 ? 0.2780 0.2138 0.2366 0.0047 -0.0014 -0.0011 262 TYR B CE1 5306 C CE2 . TYR B 263 ? 0.2585 0.1997 0.2245 0.0034 -0.0069 -0.0022 262 TYR B CE2 5307 C CZ . TYR B 263 ? 0.2678 0.2089 0.2339 0.0029 -0.0042 -0.0022 262 TYR B CZ 5308 O OH . TYR B 263 ? 0.2472 0.1924 0.2199 0.0008 -0.0040 -0.0035 262 TYR B OH 5309 N N . ARG B 264 ? 0.2745 0.1775 0.1902 0.0073 0.0051 0.0005 263 ARG B N 5310 C CA . ARG B 264 ? 0.3032 0.2010 0.2107 0.0069 0.0109 0.0004 263 ARG B CA 5311 C C . ARG B 264 ? 0.3043 0.2019 0.2098 0.0088 0.0153 -0.0004 263 ARG B C 5312 O O . ARG B 264 ? 0.3044 0.2080 0.2137 0.0093 0.0212 -0.0016 263 ARG B O 5313 C CB . ARG B 264 ? 0.3271 0.2103 0.2199 0.0056 0.0088 0.0008 263 ARG B CB 5314 C CG . ARG B 264 ? 0.3599 0.2367 0.2436 0.0037 0.0160 0.0006 263 ARG B CG 5315 C CD . ARG B 264 ? 0.3932 0.2518 0.2585 0.0029 0.0134 0.0013 263 ARG B CD 5316 N NE . ARG B 264 ? 0.4383 0.2890 0.2936 -0.0001 0.0208 0.0012 263 ARG B NE 5317 C CZ . ARG B 264 ? 0.4737 0.3176 0.3196 -0.0016 0.0285 0.0001 263 ARG B CZ 5318 N NH1 . ARG B 264 ? 0.4818 0.3257 0.3268 0.0003 0.0296 -0.0007 263 ARG B NH1 5319 N NH2 . ARG B 264 ? 0.4967 0.3329 0.3334 -0.0056 0.0359 -0.0004 263 ARG B NH2 5320 N N . LYS B 265 ? 0.3066 0.1979 0.2070 0.0100 0.0123 -0.0005 264 LYS B N 5321 C CA . LYS B 265 ? 0.3360 0.2256 0.2335 0.0126 0.0156 -0.0014 264 LYS B CA 5322 C C . LYS B 265 ? 0.3131 0.2142 0.2217 0.0153 0.0176 -0.0019 264 LYS B C 5323 O O . LYS B 265 ? 0.3135 0.2171 0.2225 0.0182 0.0220 -0.0034 264 LYS B O 5324 C CB . LYS B 265 ? 0.3600 0.2408 0.2511 0.0128 0.0112 -0.0014 264 LYS B CB 5325 C CG . LYS B 265 ? 0.4057 0.2742 0.2849 0.0112 0.0076 -0.0015 264 LYS B CG 5326 C CD . LYS B 265 ? 0.3990 0.2586 0.2708 0.0116 0.0052 -0.0024 264 LYS B CD 5327 C CE . LYS B 265 ? 0.3862 0.2500 0.2657 0.0102 0.0010 -0.0030 264 LYS B CE 5328 N NZ . LYS B 265 ? 0.3723 0.2252 0.2425 0.0093 -0.0020 -0.0045 264 LYS B NZ 5329 N N . PHE B 266 ? 0.2884 0.1954 0.2050 0.0148 0.0140 -0.0011 265 PHE B N 5330 C CA . PHE B 266 ? 0.2866 0.2027 0.2119 0.0175 0.0148 -0.0014 265 PHE B CA 5331 C C . PHE B 266 ? 0.2727 0.1991 0.2054 0.0189 0.0189 -0.0028 265 PHE B C 5332 O O . PHE B 266 ? 0.2701 0.2011 0.2055 0.0229 0.0213 -0.0046 265 PHE B O 5333 C CB . PHE B 266 ? 0.2849 0.2048 0.2167 0.0155 0.0110 -0.0003 265 PHE B CB 5334 C CG . PHE B 266 ? 0.2914 0.2185 0.2297 0.0182 0.0115 -0.0004 265 PHE B CG 5335 C CD1 . PHE B 266 ? 0.3009 0.2228 0.2345 0.0211 0.0115 -0.0005 265 PHE B CD1 5336 C CD2 . PHE B 266 ? 0.2880 0.2253 0.2354 0.0180 0.0118 -0.0006 265 PHE B CD2 5337 C CE1 . PHE B 266 ? 0.3061 0.2321 0.2430 0.0242 0.0113 -0.0006 265 PHE B CE1 5338 C CE2 . PHE B 266 ? 0.2942 0.2372 0.2464 0.0209 0.0115 -0.0009 265 PHE B CE2 5339 C CZ . PHE B 266 ? 0.2969 0.2337 0.2432 0.0243 0.0111 -0.0008 265 PHE B CZ 5340 N N . PHE B 267 ? 0.2768 0.2063 0.2123 0.0156 0.0196 -0.0026 266 PHE B N 5341 C CA . PHE B 267 ? 0.2804 0.2198 0.2233 0.0155 0.0241 -0.0047 266 PHE B CA 5342 C C . PHE B 267 ? 0.2978 0.2361 0.2371 0.0165 0.0300 -0.0073 266 PHE B C 5343 O O . PHE B 267 ? 0.3088 0.2578 0.2567 0.0188 0.0335 -0.0105 266 PHE B O 5344 C CB . PHE B 267 ? 0.2771 0.2177 0.2219 0.0111 0.0239 -0.0038 266 PHE B CB 5345 C CG . PHE B 267 ? 0.2780 0.2253 0.2312 0.0109 0.0198 -0.0027 266 PHE B CG 5346 C CD1 . PHE B 267 ? 0.2758 0.2346 0.2391 0.0133 0.0203 -0.0041 266 PHE B CD1 5347 C CD2 . PHE B 267 ? 0.2758 0.2181 0.2266 0.0089 0.0152 -0.0007 266 PHE B CD2 5348 C CE1 . PHE B 267 ? 0.2693 0.2331 0.2389 0.0130 0.0169 -0.0031 266 PHE B CE1 5349 C CE2 . PHE B 267 ? 0.2790 0.2278 0.2378 0.0086 0.0123 -0.0001 266 PHE B CE2 5350 C CZ . PHE B 267 ? 0.2640 0.2229 0.2315 0.0103 0.0135 -0.0011 266 PHE B CZ 5351 N N . GLN B 268 ? 0.3060 0.2319 0.2331 0.0151 0.0311 -0.0066 267 GLN B N 5352 C CA . GLN B 268 ? 0.3305 0.2538 0.2528 0.0162 0.0372 -0.0092 267 GLN B CA 5353 C C . GLN B 268 ? 0.3256 0.2535 0.2518 0.0223 0.0370 -0.0111 267 GLN B C 5354 O O . GLN B 268 ? 0.3215 0.2576 0.2537 0.0248 0.0418 -0.0150 267 GLN B O 5355 C CB . GLN B 268 ? 0.3506 0.2572 0.2564 0.0141 0.0374 -0.0079 267 GLN B CB 5356 C CG . GLN B 268 ? 0.3890 0.2876 0.2870 0.0091 0.0381 -0.0065 267 GLN B CG 5357 C CD . GLN B 268 ? 0.4279 0.3081 0.3076 0.0080 0.0369 -0.0053 267 GLN B CD 5358 O OE1 . GLN B 268 ? 0.4572 0.3311 0.3321 0.0098 0.0312 -0.0040 267 GLN B OE1 5359 N NE2 . GLN B 268 ? 0.4817 0.3527 0.3505 0.0047 0.0425 -0.0060 267 GLN B NE2 5360 N N . ASP B 269 ? 0.3127 0.2348 0.2351 0.0245 0.0316 -0.0088 268 ASP B N 5361 C CA . ASP B 269 ? 0.3204 0.2411 0.2411 0.0304 0.0312 -0.0101 268 ASP B CA 5362 C C . ASP B 269 ? 0.3375 0.2706 0.2695 0.0354 0.0301 -0.0121 268 ASP B C 5363 O O . ASP B 269 ? 0.3339 0.2679 0.2658 0.0416 0.0306 -0.0145 268 ASP B O 5364 C CB . ASP B 269 ? 0.3260 0.2340 0.2369 0.0302 0.0265 -0.0074 268 ASP B CB 5365 C CG . ASP B 269 ? 0.3344 0.2292 0.2326 0.0271 0.0270 -0.0066 268 ASP B CG 5366 O OD1 . ASP B 269 ? 0.3333 0.2273 0.2285 0.0260 0.0317 -0.0081 268 ASP B OD1 5367 O OD2 . ASP B 269 ? 0.3407 0.2259 0.2319 0.0254 0.0229 -0.0049 268 ASP B OD2 5368 N N . ILE B 270 ? 0.3252 0.2669 0.2661 0.0333 0.0280 -0.0112 269 ILE B N 5369 C CA . ILE B 270 ? 0.3324 0.2860 0.2837 0.0382 0.0266 -0.0136 269 ILE B CA 5370 C C . ILE B 270 ? 0.3488 0.3167 0.3117 0.0383 0.0312 -0.0183 269 ILE B C 5371 O O . ILE B 270 ? 0.3756 0.3551 0.3484 0.0427 0.0299 -0.0215 269 ILE B O 5372 C CB . ILE B 270 ? 0.3215 0.2773 0.2765 0.0367 0.0221 -0.0110 269 ILE B CB 5373 C CG1 . ILE B 270 ? 0.3008 0.2624 0.2619 0.0303 0.0232 -0.0102 269 ILE B CG1 5374 C CG2 . ILE B 270 ? 0.3275 0.2700 0.2721 0.0360 0.0186 -0.0074 269 ILE B CG2 5375 C CD1 . ILE B 270 ? 0.2909 0.2551 0.2559 0.0289 0.0193 -0.0081 269 ILE B CD1 5376 N N . GLY B 271 ? 0.3550 0.3217 0.3161 0.0331 0.0366 -0.0192 270 GLY B N 5377 C CA . GLY B 271 ? 0.3581 0.3372 0.3295 0.0314 0.0427 -0.0242 270 GLY B CA 5378 C C . GLY B 271 ? 0.3647 0.3528 0.3452 0.0266 0.0425 -0.0242 270 GLY B C 5379 O O . GLY B 271 ? 0.3611 0.3637 0.3543 0.0268 0.0453 -0.0292 270 GLY B O 5380 N N . PHE B 272 ? 0.3389 0.3186 0.3131 0.0222 0.0394 -0.0193 271 PHE B N 5381 C CA . PHE B 272 ? 0.3232 0.3092 0.3042 0.0178 0.0390 -0.0189 271 PHE B CA 5382 C C . PHE B 272 ? 0.3283 0.3020 0.2990 0.0115 0.0395 -0.0152 271 PHE B C 5383 O O . PHE B 272 ? 0.2986 0.2677 0.2668 0.0106 0.0344 -0.0115 271 PHE B O 5384 C CB . PHE B 272 ? 0.3165 0.3078 0.3034 0.0214 0.0324 -0.0174 271 PHE B CB 5385 C CG . PHE B 272 ? 0.3135 0.3124 0.3083 0.0176 0.0319 -0.0176 271 PHE B CG 5386 C CD1 . PHE B 272 ? 0.3353 0.3460 0.3401 0.0151 0.0365 -0.0224 271 PHE B CD1 5387 C CD2 . PHE B 272 ? 0.3276 0.3222 0.3202 0.0162 0.0272 -0.0136 271 PHE B CD2 5388 C CE1 . PHE B 272 ? 0.3417 0.3585 0.3530 0.0112 0.0362 -0.0227 271 PHE B CE1 5389 C CE2 . PHE B 272 ? 0.3333 0.3339 0.3322 0.0128 0.0269 -0.0139 271 PHE B CE2 5390 C CZ . PHE B 272 ? 0.3269 0.3379 0.3345 0.0103 0.0313 -0.0182 271 PHE B CZ 5391 N N . GLU B 273 ? 0.3476 0.3156 0.3118 0.0074 0.0459 -0.0166 272 GLU B N 5392 C CA . GLU B 273 ? 0.3848 0.3381 0.3358 0.0024 0.0462 -0.0134 272 GLU B CA 5393 C C . GLU B 273 ? 0.3713 0.3261 0.3251 -0.0014 0.0446 -0.0120 272 GLU B C 5394 O O . GLU B 273 ? 0.3787 0.3220 0.3231 -0.0030 0.0406 -0.0085 272 GLU B O 5395 C CB . GLU B 273 ? 0.4596 0.4043 0.4005 -0.0012 0.0543 -0.0155 272 GLU B CB 5396 C CG . GLU B 273 ? 0.5406 0.4789 0.4743 0.0028 0.0544 -0.0156 272 GLU B CG 5397 C CD . GLU B 273 ? 0.6543 0.5843 0.5780 -0.0001 0.0631 -0.0182 272 GLU B CD 5398 O OE1 . GLU B 273 ? 0.7291 0.6577 0.6507 -0.0060 0.0702 -0.0202 272 GLU B OE1 5399 O OE2 . GLU B 273 ? 0.7453 0.6692 0.6622 0.0032 0.0633 -0.0183 272 GLU B OE2 5400 N N . ASP B 274 ? 0.3275 0.2963 0.2945 -0.0026 0.0470 -0.0152 273 ASP B N 5401 C CA . ASP B 274 ? 0.3300 0.3003 0.2999 -0.0061 0.0455 -0.0142 273 ASP B CA 5402 C C . ASP B 274 ? 0.2973 0.2658 0.2675 -0.0032 0.0370 -0.0102 273 ASP B C 5403 O O . ASP B 274 ? 0.3052 0.2687 0.2723 -0.0057 0.0347 -0.0081 273 ASP B O 5404 C CB . ASP B 274 ? 0.3498 0.3375 0.3356 -0.0071 0.0484 -0.0189 273 ASP B CB 5405 C CG . ASP B 274 ? 0.4074 0.3980 0.3947 -0.0127 0.0580 -0.0238 273 ASP B CG 5406 O OD1 . ASP B 274 ? 0.4216 0.3979 0.3950 -0.0170 0.0631 -0.0229 273 ASP B OD1 5407 O OD2 . ASP B 274 ? 0.4461 0.4532 0.4486 -0.0131 0.0605 -0.0291 273 ASP B OD2 5408 N N . GLY B 275 ? 0.2770 0.2492 0.2508 0.0020 0.0327 -0.0094 274 GLY B N 5409 C CA . GLY B 275 ? 0.2785 0.2489 0.2526 0.0040 0.0259 -0.0063 274 GLY B CA 5410 C C . GLY B 275 ? 0.2798 0.2369 0.2430 0.0023 0.0228 -0.0033 274 GLY B C 5411 O O . GLY B 275 ? 0.2750 0.2312 0.2396 0.0020 0.0184 -0.0017 274 GLY B O 5412 N N . TRP B 276 ? 0.2901 0.2366 0.2424 0.0016 0.0248 -0.0031 275 TRP B N 5413 C CA . TRP B 276 ? 0.2966 0.2294 0.2372 0.0007 0.0209 -0.0009 275 TRP B CA 5414 C C . TRP B 276 ? 0.2940 0.2214 0.2302 -0.0025 0.0211 -0.0003 275 TRP B C 5415 O O . TRP B 276 ? 0.2800 0.2021 0.2133 -0.0019 0.0154 0.0010 275 TRP B O 5416 C CB . TRP B 276 ? 0.3146 0.2360 0.2426 0.0008 0.0231 -0.0010 275 TRP B CB 5417 C CG . TRP B 276 ? 0.3255 0.2310 0.2391 0.0000 0.0192 0.0005 275 TRP B CG 5418 C CD1 . TRP B 276 ? 0.3568 0.2485 0.2556 -0.0024 0.0224 0.0006 275 TRP B CD1 5419 C CD2 . TRP B 276 ? 0.3235 0.2251 0.2357 0.0019 0.0112 0.0016 275 TRP B CD2 5420 N NE1 . TRP B 276 ? 0.3710 0.2493 0.2580 -0.0012 0.0158 0.0020 275 TRP B NE1 5421 C CE2 . TRP B 276 ? 0.3551 0.2407 0.2517 0.0014 0.0086 0.0022 275 TRP B CE2 5422 C CE3 . TRP B 276 ? 0.3219 0.2315 0.2442 0.0037 0.0061 0.0016 275 TRP B CE3 5423 C CZ2 . TRP B 276 ? 0.3719 0.2513 0.2646 0.0035 0.0002 0.0023 275 TRP B CZ2 5424 C CZ3 . TRP B 276 ? 0.3403 0.2446 0.2599 0.0046 -0.0010 0.0015 275 TRP B CZ3 5425 C CH2 . TRP B 276 ? 0.3562 0.2463 0.2619 0.0049 -0.0044 0.0016 275 TRP B CH2 5426 N N . LEU B 277 ? 0.2986 0.2275 0.2347 -0.0058 0.0278 -0.0020 276 LEU B N 5427 C CA . LEU B 277 ? 0.3122 0.2346 0.2429 -0.0095 0.0289 -0.0016 276 LEU B CA 5428 C C . LEU B 277 ? 0.2952 0.2269 0.2369 -0.0087 0.0245 -0.0011 276 LEU B C 5429 O O . LEU B 277 ? 0.3017 0.2257 0.2379 -0.0089 0.0206 0.0002 276 LEU B O 5430 C CB . LEU B 277 ? 0.3313 0.2545 0.2608 -0.0144 0.0383 -0.0044 276 LEU B CB 5431 C CG . LEU B 277 ? 0.3599 0.2741 0.2785 -0.0159 0.0445 -0.0056 276 LEU B CG 5432 C CD1 . LEU B 277 ? 0.3762 0.2940 0.2967 -0.0217 0.0549 -0.0095 276 LEU B CD1 5433 C CD2 . LEU B 277 ? 0.3987 0.2908 0.2962 -0.0160 0.0416 -0.0028 276 LEU B CD2 5434 N N . MET B 278 ? 0.2768 0.2240 0.2330 -0.0071 0.0247 -0.0024 277 MET B N 5435 C CA . MET B 278 ? 0.2710 0.2266 0.2370 -0.0060 0.0205 -0.0020 277 MET B CA 5436 C C . MET B 278 ? 0.2639 0.2151 0.2282 -0.0032 0.0135 0.0000 277 MET B C 5437 O O . MET B 278 ? 0.2527 0.2035 0.2187 -0.0033 0.0101 0.0006 277 MET B O 5438 C CB . MET B 278 ? 0.2724 0.2429 0.2514 -0.0038 0.0213 -0.0038 277 MET B CB 5439 C CG . MET B 278 ? 0.2924 0.2720 0.2780 -0.0062 0.0272 -0.0073 277 MET B CG 5440 S SD . MET B 278 ? 0.3233 0.3184 0.3220 -0.0011 0.0255 -0.0097 277 MET B SD 5441 C CE . MET B 278 ? 0.3453 0.3523 0.3532 -0.0040 0.0321 -0.0154 277 MET B CE 5442 N N . ARG B 279 ? 0.2553 0.2036 0.2168 -0.0009 0.0114 0.0006 278 ARG B N 5443 C CA . ARG B 279 ? 0.2590 0.2041 0.2200 0.0009 0.0052 0.0014 278 ARG B CA 5444 C C . ARG B 279 ? 0.2724 0.2059 0.2237 0.0006 0.0017 0.0019 278 ARG B C 5445 O O . ARG B 279 ? 0.2668 0.2012 0.2215 0.0017 -0.0031 0.0016 278 ARG B O 5446 C CB . ARG B 279 ? 0.2582 0.2017 0.2173 0.0027 0.0043 0.0014 278 ARG B CB 5447 C CG . ARG B 279 ? 0.2584 0.1998 0.2185 0.0037 -0.0015 0.0011 278 ARG B CG 5448 C CD . ARG B 279 ? 0.2461 0.1969 0.2172 0.0038 -0.0030 0.0006 278 ARG B CD 5449 N NE . ARG B 279 ? 0.2440 0.1945 0.2178 0.0040 -0.0074 -0.0006 278 ARG B NE 5450 C CZ . ARG B 279 ? 0.2390 0.1964 0.2216 0.0034 -0.0078 -0.0016 278 ARG B CZ 5451 N NH1 . ARG B 279 ? 0.2340 0.1980 0.2221 0.0032 -0.0050 -0.0010 278 ARG B NH1 5452 N NH2 . ARG B 279 ? 0.2525 0.2102 0.2383 0.0027 -0.0111 -0.0038 278 ARG B NH2 5453 N N . GLN B 280 ? 0.3048 0.2268 0.2433 -0.0006 0.0042 0.0023 279 GLN B N 5454 C CA . GLN B 280 ? 0.3367 0.2443 0.2625 -0.0003 0.0005 0.0028 279 GLN B CA 5455 C C . GLN B 280 ? 0.3242 0.2325 0.2521 -0.0014 0.0003 0.0029 279 GLN B C 5456 O O . GLN B 280 ? 0.3308 0.2320 0.2539 0.0007 -0.0055 0.0029 279 GLN B O 5457 C CB . GLN B 280 ? 0.3764 0.2693 0.2856 -0.0021 0.0046 0.0033 279 GLN B CB 5458 C CG . GLN B 280 ? 0.4120 0.2999 0.3151 -0.0006 0.0037 0.0032 279 GLN B CG 5459 C CD . GLN B 280 ? 0.4798 0.3506 0.3639 -0.0026 0.0081 0.0036 279 GLN B CD 5460 O OE1 . GLN B 280 ? 0.5109 0.3815 0.3929 -0.0064 0.0164 0.0032 279 GLN B OE1 5461 N NE2 . GLN B 280 ? 0.5289 0.3852 0.3989 -0.0002 0.0027 0.0040 279 GLN B NE2 5462 N N . ASP B 281 ? 0.3150 0.2311 0.2492 -0.0045 0.0064 0.0024 280 ASP B N 5463 C CA . ASP B 281 ? 0.3263 0.2426 0.2620 -0.0063 0.0070 0.0023 280 ASP B CA 5464 C C . ASP B 281 ? 0.3207 0.2460 0.2678 -0.0033 0.0011 0.0020 280 ASP B C 5465 O O . ASP B 281 ? 0.3337 0.2555 0.2793 -0.0031 -0.0010 0.0020 280 ASP B O 5466 C CB . ASP B 281 ? 0.3421 0.2687 0.2861 -0.0103 0.0142 0.0009 280 ASP B CB 5467 C CG . ASP B 281 ? 0.3919 0.3120 0.3272 -0.0146 0.0221 0.0000 280 ASP B CG 5468 O OD1 . ASP B 281 ? 0.4117 0.3149 0.3303 -0.0154 0.0227 0.0009 280 ASP B OD1 5469 O OD2 . ASP B 281 ? 0.3950 0.3274 0.3405 -0.0172 0.0277 -0.0023 280 ASP B OD2 5470 N N . THR B 282 ? 0.2862 0.2229 0.2444 -0.0014 -0.0004 0.0016 281 THR B N 5471 C CA . THR B 282 ? 0.2690 0.2161 0.2392 0.0000 -0.0033 0.0009 281 THR B CA 5472 C C . THR B 282 ? 0.2785 0.2264 0.2521 0.0028 -0.0092 0.0000 281 THR B C 5473 O O . THR B 282 ? 0.2745 0.2287 0.2565 0.0038 -0.0117 -0.0010 281 THR B O 5474 C CB . THR B 282 ? 0.2469 0.2066 0.2275 -0.0008 0.0004 0.0006 281 THR B CB 5475 O OG1 . THR B 282 ? 0.2547 0.2161 0.2355 0.0001 0.0012 0.0007 281 THR B OG1 5476 C CG2 . THR B 282 ? 0.2485 0.2105 0.2293 -0.0037 0.0055 0.0001 281 THR B CG2 5477 N N . GLU B 283 ? 0.2947 0.2366 0.2624 0.0039 -0.0113 0.0000 282 GLU B N 5478 C CA . GLU B 283 ? 0.3146 0.2594 0.2875 0.0058 -0.0163 -0.0018 282 GLU B CA 5479 C C . GLU B 283 ? 0.3143 0.2576 0.2890 0.0084 -0.0227 -0.0039 282 GLU B C 5480 O O . GLU B 283 ? 0.3003 0.2506 0.2844 0.0093 -0.0260 -0.0066 282 GLU B O 5481 C CB . GLU B 283 ? 0.3388 0.2765 0.3038 0.0063 -0.0176 -0.0018 282 GLU B CB 5482 C CG . GLU B 283 ? 0.3899 0.3128 0.3398 0.0077 -0.0205 -0.0013 282 GLU B CG 5483 C CD . GLU B 283 ? 0.4684 0.3832 0.4092 0.0081 -0.0214 -0.0013 282 GLU B CD 5484 O OE1 . GLU B 283 ? 0.5511 0.4721 0.4977 0.0073 -0.0200 -0.0018 282 GLU B OE1 5485 O OE2 . GLU B 283 ? 0.5494 0.4500 0.4753 0.0092 -0.0236 -0.0008 282 GLU B OE2 5486 N N . GLY B 284 ? 0.3160 0.2495 0.2812 0.0095 -0.0243 -0.0032 283 GLY B N 5487 C CA . GLY B 284 ? 0.3271 0.2575 0.2923 0.0132 -0.0311 -0.0055 283 GLY B CA 5488 C C . GLY B 284 ? 0.3259 0.2620 0.2982 0.0132 -0.0301 -0.0059 283 GLY B C 5489 O O . GLY B 284 ? 0.3224 0.2557 0.2947 0.0169 -0.0357 -0.0081 283 GLY B O 5490 N N . LEU B 285 ? 0.3022 0.2459 0.2803 0.0097 -0.0237 -0.0043 284 LEU B N 5491 C CA . LEU B 285 ? 0.3036 0.2509 0.2863 0.0093 -0.0224 -0.0045 284 LEU B CA 5492 C C . LEU B 285 ? 0.3040 0.2609 0.2992 0.0117 -0.0259 -0.0078 284 LEU B C 5493 O O . LEU B 285 ? 0.3027 0.2577 0.2983 0.0140 -0.0287 -0.0091 284 LEU B O 5494 C CB . LEU B 285 ? 0.2964 0.2509 0.2834 0.0054 -0.0155 -0.0029 284 LEU B CB 5495 C CG . LEU B 285 ? 0.3067 0.2541 0.2838 0.0024 -0.0108 -0.0008 284 LEU B CG 5496 C CD1 . LEU B 285 ? 0.2908 0.2487 0.2755 -0.0004 -0.0052 -0.0005 284 LEU B CD1 5497 C CD2 . LEU B 285 ? 0.3368 0.2714 0.3024 0.0020 -0.0113 -0.0004 284 LEU B CD2 5498 N N . VAL B 286 ? 0.3152 0.2819 0.3204 0.0107 -0.0250 -0.0092 285 VAL B N 5499 C CA . VAL B 286 ? 0.3255 0.3021 0.3434 0.0117 -0.0267 -0.0129 285 VAL B CA 5500 C C . VAL B 286 ? 0.3714 0.3476 0.3917 0.0147 -0.0332 -0.0167 285 VAL B C 5501 O O . VAL B 286 ? 0.3733 0.3479 0.3912 0.0139 -0.0338 -0.0166 285 VAL B O 5502 C CB . VAL B 286 ? 0.3231 0.3091 0.3490 0.0081 -0.0211 -0.0127 285 VAL B CB 5503 C CG1 . VAL B 286 ? 0.3322 0.3275 0.3706 0.0079 -0.0216 -0.0173 285 VAL B CG1 5504 C CG2 . VAL B 286 ? 0.3320 0.3192 0.3568 0.0063 -0.0164 -0.0101 285 VAL B CG2 5505 N N . GLU B 287 ? 0.4078 0.3856 0.4328 0.0187 -0.0385 -0.0206 286 GLU B N 5506 C CA . GLU B 287 ? 0.4541 0.4323 0.4822 0.0226 -0.0461 -0.0253 286 GLU B CA 5507 C C . GLU B 287 ? 0.4579 0.4494 0.5008 0.0196 -0.0442 -0.0295 286 GLU B C 5508 O O . GLU B 287 ? 0.3750 0.3773 0.4301 0.0173 -0.0402 -0.0319 286 GLU B O 5509 C CB . GLU B 287 ? 0.4972 0.4738 0.5268 0.0286 -0.0528 -0.0290 286 GLU B CB 5510 C CG . GLU B 287 ? 0.5822 0.5496 0.6039 0.0349 -0.0627 -0.0317 286 GLU B CG 5511 C CD . GLU B 287 ? 0.6369 0.6147 0.6709 0.0355 -0.0671 -0.0377 286 GLU B CD 5512 O OE1 . GLU B 287 ? 0.6370 0.6308 0.6893 0.0335 -0.0648 -0.0426 286 GLU B OE1 5513 O OE2 . GLU B 287 ? 0.6769 0.6464 0.7018 0.0377 -0.0726 -0.0379 286 GLU B OE2 5514 N N . ALA B 288 ? 0.4946 0.4837 0.5348 0.0192 -0.0468 -0.0303 287 ALA B N 5515 C CA . ALA B 288 ? 0.5077 0.5058 0.5579 0.0151 -0.0443 -0.0334 287 ALA B CA 5516 C C . ALA B 288 ? 0.5216 0.5342 0.5902 0.0144 -0.0444 -0.0407 287 ALA B C 5517 O O . ALA B 288 ? 0.5858 0.6057 0.6623 0.0089 -0.0377 -0.0419 287 ALA B O 5518 C CB . ALA B 288 ? 0.5025 0.4944 0.5463 0.0164 -0.0497 -0.0345 287 ALA B CB 5519 N N . THR B 289 ? 0.4696 0.4855 0.5443 0.0200 -0.0519 -0.0458 288 THR B N 5520 C CA . THR B 289 ? 0.4825 0.5138 0.5768 0.0199 -0.0527 -0.0544 288 THR B CA 5521 C C . THR B 289 ? 0.5008 0.5380 0.6026 0.0221 -0.0514 -0.0563 288 THR B C 5522 O O . THR B 289 ? 0.5262 0.5770 0.6447 0.0202 -0.0487 -0.0630 288 THR B O 5523 C CB . THR B 289 ? 0.5176 0.5522 0.6178 0.0253 -0.0637 -0.0618 288 THR B CB 5524 O OG1 . THR B 289 ? 0.5133 0.5370 0.6022 0.0337 -0.0724 -0.0605 288 THR B OG1 5525 C CG2 . THR B 289 ? 0.5345 0.5646 0.6290 0.0226 -0.0651 -0.0612 288 THR B CG2 5526 N N . MET B 290 ? 0.4312 0.4576 0.5204 0.0258 -0.0526 -0.0510 289 MET B N 5527 C CA . MET B 290 ? 0.4073 0.4366 0.5011 0.0292 -0.0530 -0.0529 289 MET B CA 5528 C C . MET B 290 ? 0.3668 0.4035 0.4675 0.0232 -0.0427 -0.0518 289 MET B C 5529 O O . MET B 290 ? 0.3285 0.3591 0.4197 0.0187 -0.0364 -0.0451 289 MET B O 5530 C CB . MET B 290 ? 0.4307 0.4439 0.5065 0.0336 -0.0564 -0.0470 289 MET B CB 5531 C CG . MET B 290 ? 0.4899 0.5029 0.5676 0.0382 -0.0582 -0.0489 289 MET B CG 5532 S SD . MET B 290 ? 0.5541 0.5455 0.6079 0.0408 -0.0597 -0.0412 289 MET B SD 5533 C CE . MET B 290 ? 0.5538 0.5459 0.6116 0.0467 -0.0625 -0.0450 289 MET B CE 5534 N N . PRO B 291 ? 0.3343 0.3839 0.4512 0.0232 -0.0411 -0.0588 290 PRO B N 5535 C CA . PRO B 291 ? 0.3165 0.3717 0.4385 0.0175 -0.0312 -0.0584 290 PRO B CA 5536 C C . PRO B 291 ? 0.2975 0.3450 0.4101 0.0196 -0.0298 -0.0535 290 PRO B C 5537 O O . PRO B 291 ? 0.2901 0.3295 0.3948 0.0255 -0.0365 -0.0519 290 PRO B O 5538 C CB . PRO B 291 ? 0.3167 0.3877 0.4591 0.0178 -0.0308 -0.0687 290 PRO B CB 5539 C CG . PRO B 291 ? 0.3390 0.4109 0.4849 0.0268 -0.0422 -0.0735 290 PRO B CG 5540 C CD . PRO B 291 ? 0.3476 0.4063 0.4779 0.0294 -0.0489 -0.0679 290 PRO B CD 5541 N N . PRO B 292 ? 0.2778 0.3263 0.3897 0.0147 -0.0213 -0.0511 291 PRO B N 5542 C CA . PRO B 292 ? 0.2712 0.3123 0.3738 0.0162 -0.0202 -0.0465 291 PRO B CA 5543 C C . PRO B 292 ? 0.2578 0.3025 0.3674 0.0215 -0.0234 -0.0516 291 PRO B C 5544 O O . PRO B 292 ? 0.2611 0.2974 0.3616 0.0245 -0.0253 -0.0484 291 PRO B O 5545 C CB . PRO B 292 ? 0.2697 0.3113 0.3701 0.0099 -0.0109 -0.0437 291 PRO B CB 5546 C CG . PRO B 292 ? 0.2757 0.3268 0.3877 0.0056 -0.0064 -0.0492 291 PRO B CG 5547 C CD . PRO B 292 ? 0.2771 0.3298 0.3923 0.0073 -0.0125 -0.0513 291 PRO B CD 5548 N N . GLY B 293 ? 0.2354 0.2924 0.3612 0.0228 -0.0240 -0.0600 292 GLY B N 5549 C CA . GLY B 293 ? 0.2355 0.2971 0.3694 0.0289 -0.0277 -0.0659 292 GLY B CA 5550 C C . GLY B 293 ? 0.2288 0.2923 0.3643 0.0264 -0.0201 -0.0662 292 GLY B C 5551 O O . GLY B 293 ? 0.2284 0.2905 0.3645 0.0318 -0.0230 -0.0684 292 GLY B O 5552 N N . VAL B 294 ? 0.2166 0.2817 0.3514 0.0187 -0.0108 -0.0640 293 VAL B N 5553 C CA . VAL B 294 ? 0.2154 0.2819 0.3510 0.0155 -0.0028 -0.0648 293 VAL B CA 5554 C C . VAL B 294 ? 0.2136 0.2883 0.3579 0.0080 0.0064 -0.0688 293 VAL B C 5555 O O . VAL B 294 ? 0.1975 0.2741 0.3435 0.0046 0.0069 -0.0688 293 VAL B O 5556 C CB . VAL B 294 ? 0.2255 0.2793 0.3437 0.0134 -0.0003 -0.0560 293 VAL B CB 5557 C CG1 . VAL B 294 ? 0.2359 0.2803 0.3445 0.0193 -0.0081 -0.0522 293 VAL B CG1 5558 C CG2 . VAL B 294 ? 0.2289 0.2781 0.3386 0.0079 0.0031 -0.0503 293 VAL B CG2 5559 N N . GLN B 295 ? 0.2086 0.2864 0.3565 0.0051 0.0141 -0.0720 294 GLN B N 5560 C CA . GLN B 295 ? 0.2157 0.2968 0.3668 -0.0029 0.0246 -0.0748 294 GLN B CA 5561 C C . GLN B 295 ? 0.2160 0.2853 0.3507 -0.0077 0.0274 -0.0664 294 GLN B C 5562 O O . GLN B 295 ? 0.1952 0.2540 0.3153 -0.0066 0.0266 -0.0593 294 GLN B O 5563 C CB . GLN B 295 ? 0.2383 0.3199 0.3901 -0.0051 0.0328 -0.0778 294 GLN B CB 5564 C CG . GLN B 295 ? 0.2645 0.3476 0.4181 -0.0141 0.0446 -0.0813 294 GLN B CG 5565 C CD . GLN B 295 ? 0.2848 0.3663 0.4366 -0.0166 0.0534 -0.0841 294 GLN B CD 5566 O OE1 . GLN B 295 ? 0.3127 0.3814 0.4477 -0.0202 0.0589 -0.0786 294 GLN B OE1 5567 N NE2 . GLN B 295 ? 0.3224 0.4164 0.4910 -0.0140 0.0541 -0.0930 294 GLN B NE2 5568 N N . LEU B 296 ? 0.2042 0.2755 0.3414 -0.0126 0.0304 -0.0678 295 LEU B N 5569 C CA . LEU B 296 ? 0.2126 0.2730 0.3351 -0.0159 0.0315 -0.0605 295 LEU B CA 5570 C C . LEU B 296 ? 0.2179 0.2747 0.3366 -0.0242 0.0423 -0.0622 295 LEU B C 5571 O O . LEU B 296 ? 0.2381 0.3040 0.3698 -0.0286 0.0471 -0.0699 295 LEU B O 5572 C CB . LEU B 296 ? 0.2146 0.2769 0.3397 -0.0135 0.0239 -0.0596 295 LEU B CB 5573 C CG . LEU B 296 ? 0.2385 0.2911 0.3506 -0.0165 0.0248 -0.0533 295 LEU B CG 5574 C CD1 . LEU B 296 ? 0.2460 0.2877 0.3422 -0.0137 0.0226 -0.0448 295 LEU B CD1 5575 C CD2 . LEU B 296 ? 0.2560 0.3123 0.3736 -0.0147 0.0181 -0.0546 295 LEU B CD2 5576 N N . HIS B 297 ? 0.2153 0.2587 0.3161 -0.0263 0.0461 -0.0556 296 HIS B N 5577 C CA . HIS B 297 ? 0.2299 0.2646 0.3212 -0.0337 0.0558 -0.0558 296 HIS B CA 5578 C C . HIS B 297 ? 0.2407 0.2654 0.3189 -0.0334 0.0526 -0.0491 296 HIS B C 5579 O O . HIS B 297 ? 0.2398 0.2560 0.3050 -0.0296 0.0488 -0.0423 296 HIS B O 5580 C CB . HIS B 297 ? 0.2338 0.2585 0.3123 -0.0353 0.0624 -0.0540 296 HIS B CB 5581 C CG . HIS B 297 ? 0.2466 0.2802 0.3367 -0.0351 0.0657 -0.0602 296 HIS B CG 5582 N ND1 . HIS B 297 ? 0.2552 0.2910 0.3503 -0.0417 0.0764 -0.0672 296 HIS B ND1 5583 C CD2 . HIS B 297 ? 0.2503 0.2906 0.3477 -0.0290 0.0600 -0.0610 296 HIS B CD2 5584 C CE1 . HIS B 297 ? 0.2652 0.3099 0.3713 -0.0393 0.0771 -0.0722 296 HIS B CE1 5585 N NE2 . HIS B 297 ? 0.2466 0.2938 0.3539 -0.0314 0.0669 -0.0684 296 HIS B NE2 5586 N N . CYS B 298 ? 0.2496 0.2758 0.3318 -0.0375 0.0544 -0.0517 297 CYS B N 5587 C CA A CYS B 298 ? 0.2798 0.2973 0.3509 -0.0371 0.0513 -0.0462 297 CYS B CA 5588 C CA B CYS B 298 ? 0.2721 0.2895 0.3431 -0.0372 0.0514 -0.0462 297 CYS B CA 5589 C C . CYS B 298 ? 0.2807 0.2830 0.3352 -0.0430 0.0599 -0.0444 297 CYS B C 5590 O O . CYS B 298 ? 0.2831 0.2853 0.3408 -0.0501 0.0672 -0.0496 297 CYS B O 5591 C CB A CYS B 298 ? 0.2985 0.3261 0.3832 -0.0370 0.0466 -0.0500 297 CYS B CB 5592 C CB B CYS B 298 ? 0.2829 0.3096 0.3667 -0.0377 0.0473 -0.0500 297 CYS B CB 5593 S SG A CYS B 298 ? 0.3806 0.3985 0.4537 -0.0370 0.0434 -0.0448 297 CYS B SG 5594 S SG B CYS B 298 ? 0.3157 0.3524 0.4096 -0.0290 0.0350 -0.0491 297 CYS B SG 5595 N N . LEU B 299 ? 0.2662 0.2552 0.3023 -0.0401 0.0590 -0.0377 298 LEU B N 5596 C CA . LEU B 299 ? 0.2844 0.2556 0.3008 -0.0441 0.0660 -0.0354 298 LEU B CA 5597 C C . LEU B 299 ? 0.2808 0.2436 0.2867 -0.0418 0.0617 -0.0305 298 LEU B C 5598 O O . LEU B 299 ? 0.2644 0.2284 0.2682 -0.0352 0.0538 -0.0258 298 LEU B O 5599 C CB . LEU B 299 ? 0.3073 0.2682 0.3091 -0.0417 0.0676 -0.0321 298 LEU B CB 5600 C CG . LEU B 299 ? 0.3410 0.3024 0.3452 -0.0465 0.0761 -0.0371 298 LEU B CG 5601 C CD1 . LEU B 299 ? 0.3346 0.3159 0.3622 -0.0452 0.0735 -0.0423 298 LEU B CD1 5602 C CD2 . LEU B 299 ? 0.3666 0.3147 0.3526 -0.0438 0.0770 -0.0333 298 LEU B CD2 5603 N N . TYR B 300 ? 0.2910 0.2449 0.2902 -0.0476 0.0675 -0.0321 299 TYR B N 5604 C CA . TYR B 300 ? 0.2990 0.2452 0.2893 -0.0456 0.0637 -0.0283 299 TYR B CA 5605 C C . TYR B 300 ? 0.3176 0.2427 0.2865 -0.0504 0.0714 -0.0272 299 TYR B C 5606 O O . TYR B 300 ? 0.3113 0.2315 0.2785 -0.0585 0.0810 -0.0318 299 TYR B O 5607 C CB . TYR B 300 ? 0.3019 0.2615 0.3096 -0.0472 0.0603 -0.0319 299 TYR B CB 5608 C CG . TYR B 300 ? 0.3105 0.2752 0.3289 -0.0561 0.0680 -0.0397 299 TYR B CG 5609 C CD1 . TYR B 300 ? 0.3141 0.2945 0.3513 -0.0581 0.0696 -0.0461 299 TYR B CD1 5610 C CD2 . TYR B 300 ? 0.3449 0.2991 0.3551 -0.0626 0.0737 -0.0413 299 TYR B CD2 5611 C CE1 . TYR B 300 ? 0.3358 0.3227 0.3848 -0.0666 0.0771 -0.0545 299 TYR B CE1 5612 C CE2 . TYR B 300 ? 0.3585 0.3180 0.3793 -0.0718 0.0816 -0.0493 299 TYR B CE2 5613 C CZ . TYR B 300 ? 0.3620 0.3391 0.4034 -0.0738 0.0831 -0.0563 299 TYR B CZ 5614 O OH . TYR B 300 ? 0.4277 0.4120 0.4817 -0.0833 0.0912 -0.0654 299 TYR B OH 5615 N N . GLY B 301 ? 0.3167 0.2286 0.2685 -0.0452 0.0674 -0.0215 300 GLY B N 5616 C CA . GLY B 301 ? 0.3462 0.2347 0.2741 -0.0482 0.0735 -0.0199 300 GLY B CA 5617 C C . GLY B 301 ? 0.3535 0.2383 0.2815 -0.0534 0.0761 -0.0219 300 GLY B C 5618 O O . GLY B 301 ? 0.3472 0.2440 0.2882 -0.0509 0.0699 -0.0219 300 GLY B O 5619 N N . THR B 302 ? 0.3850 0.2510 0.2963 -0.0607 0.0857 -0.0234 301 THR B N 5620 C CA . THR B 302 ? 0.3935 0.2509 0.2998 -0.0663 0.0892 -0.0251 301 THR B CA 5621 C C . THR B 302 ? 0.4246 0.2515 0.2988 -0.0668 0.0941 -0.0215 301 THR B C 5622 O O . THR B 302 ? 0.4267 0.2395 0.2832 -0.0637 0.0955 -0.0186 301 THR B O 5623 C CB . THR B 302 ? 0.4026 0.2694 0.3247 -0.0781 0.0981 -0.0333 301 THR B CB 5624 O OG1 . THR B 302 ? 0.4187 0.2744 0.3307 -0.0852 0.1092 -0.0361 301 THR B OG1 5625 C CG2 . THR B 302 ? 0.3800 0.2758 0.3328 -0.0766 0.0923 -0.0375 301 THR B CG2 5626 N N . GLY B 303 ? 0.4418 0.2573 0.3073 -0.0705 0.0964 -0.0219 302 GLY B N 5627 C CA . GLY B 303 ? 0.4816 0.2649 0.3144 -0.0721 0.1022 -0.0192 302 GLY B CA 5628 C C . GLY B 303 ? 0.5028 0.2723 0.3162 -0.0596 0.0931 -0.0123 302 GLY B C 5629 O O . GLY B 303 ? 0.5328 0.2739 0.3165 -0.0585 0.0963 -0.0096 302 GLY B O 5630 N N . VAL B 304 ? 0.4439 0.2326 0.2733 -0.0501 0.0820 -0.0098 303 VAL B N 5631 C CA . VAL B 304 ? 0.4581 0.2380 0.2735 -0.0380 0.0731 -0.0045 303 VAL B CA 5632 C C . VAL B 304 ? 0.4389 0.2273 0.2639 -0.0351 0.0675 -0.0040 303 VAL B C 5633 O O . VAL B 304 ? 0.4129 0.2246 0.2627 -0.0363 0.0644 -0.0060 303 VAL B O 5634 C CB . VAL B 304 ? 0.4469 0.2424 0.2729 -0.0294 0.0652 -0.0026 303 VAL B CB 5635 C CG1 . VAL B 304 ? 0.4585 0.2461 0.2714 -0.0170 0.0561 0.0015 303 VAL B CG1 5636 C CG2 . VAL B 304 ? 0.4569 0.2464 0.2760 -0.0329 0.0708 -0.0036 303 VAL B CG2 5637 N N . PRO B 305 ? 0.4531 0.2211 0.2571 -0.0310 0.0662 -0.0015 304 PRO B N 5638 C CA . PRO B 305 ? 0.4352 0.2112 0.2481 -0.0284 0.0613 -0.0012 304 PRO B CA 5639 C C . PRO B 305 ? 0.4037 0.2037 0.2369 -0.0198 0.0517 0.0000 304 PRO B C 5640 O O . PRO B 305 ? 0.3979 0.1985 0.2270 -0.0110 0.0462 0.0025 304 PRO B O 5641 C CB . PRO B 305 ? 0.4637 0.2119 0.2476 -0.0228 0.0606 0.0016 304 PRO B CB 5642 C CG . PRO B 305 ? 0.5008 0.2239 0.2605 -0.0279 0.0686 0.0016 304 PRO B CG 5643 C CD . PRO B 305 ? 0.4878 0.2244 0.2586 -0.0278 0.0685 0.0011 304 PRO B CD 5644 N N . THR B 306 ? 0.3792 0.1985 0.2341 -0.0229 0.0500 -0.0020 305 THR B N 5645 C CA . THR B 306 ? 0.3653 0.2071 0.2399 -0.0169 0.0424 -0.0013 305 THR B CA 5646 C C . THR B 306 ? 0.3562 0.2020 0.2353 -0.0143 0.0384 -0.0009 305 THR B C 5647 O O . THR B 306 ? 0.3515 0.1969 0.2343 -0.0210 0.0413 -0.0034 305 THR B O 5648 C CB . THR B 306 ? 0.3445 0.2058 0.2409 -0.0229 0.0438 -0.0044 305 THR B CB 5649 O OG1 . THR B 306 ? 0.3548 0.2103 0.2455 -0.0263 0.0490 -0.0052 305 THR B OG1 5650 C CG2 . THR B 306 ? 0.3251 0.2062 0.2385 -0.0170 0.0366 -0.0035 305 THR B CG2 5651 N N . PRO B 307 ? 0.3580 0.2068 0.2360 -0.0049 0.0321 0.0015 306 PRO B N 5652 C CA . PRO B 307 ? 0.3655 0.2179 0.2472 -0.0024 0.0288 0.0016 306 PRO B CA 5653 C C . PRO B 307 ? 0.3588 0.2270 0.2594 -0.0082 0.0285 -0.0007 306 PRO B C 5654 O O . PRO B 307 ? 0.3133 0.1975 0.2294 -0.0091 0.0268 -0.0016 306 PRO B O 5655 C CB . PRO B 307 ? 0.3671 0.2275 0.2518 0.0075 0.0227 0.0035 306 PRO B CB 5656 C CG . PRO B 307 ? 0.3846 0.2367 0.2582 0.0116 0.0224 0.0046 306 PRO B CG 5657 C CD . PRO B 307 ? 0.3828 0.2356 0.2598 0.0033 0.0275 0.0034 306 PRO B CD 5658 N N . ASP B 308 ? 0.3718 0.2340 0.2694 -0.0120 0.0299 -0.0021 307 ASP B N 5659 C CA . ASP B 308 ? 0.4087 0.2824 0.3211 -0.0177 0.0291 -0.0052 307 ASP B CA 5660 C C . ASP B 308 ? 0.3824 0.2580 0.2955 -0.0135 0.0247 -0.0044 307 ASP B C 5661 O O . ASP B 308 ? 0.3604 0.2486 0.2865 -0.0142 0.0214 -0.0058 307 ASP B O 5662 C CB . ASP B 308 ? 0.4998 0.3644 0.4083 -0.0272 0.0352 -0.0088 307 ASP B CB 5663 C CG . ASP B 308 ? 0.5940 0.4669 0.5142 -0.0323 0.0336 -0.0127 307 ASP B CG 5664 O OD1 . ASP B 308 ? 0.6984 0.5866 0.6357 -0.0359 0.0325 -0.0162 307 ASP B OD1 5665 O OD2 . ASP B 308 ? 0.6747 0.5387 0.5868 -0.0320 0.0327 -0.0126 307 ASP B OD2 5666 N N . SER B 309 ? 0.3598 0.2216 0.2577 -0.0090 0.0248 -0.0024 308 SER B N 5667 C CA . SER B 309 ? 0.3560 0.2178 0.2526 -0.0048 0.0215 -0.0018 308 SER B CA 5668 C C . SER B 309 ? 0.3586 0.2063 0.2386 0.0025 0.0214 0.0004 308 SER B C 5669 O O . SER B 309 ? 0.3540 0.1892 0.2214 0.0037 0.0237 0.0014 308 SER B O 5670 C CB . SER B 309 ? 0.3714 0.2298 0.2685 -0.0113 0.0223 -0.0045 308 SER B CB 5671 O OG . SER B 309 ? 0.3965 0.2398 0.2822 -0.0170 0.0274 -0.0059 308 SER B OG 5672 N N . PHE B 310 ? 0.3390 0.1890 0.2190 0.0080 0.0186 0.0010 309 PHE B N 5673 C CA . PHE B 310 ? 0.3465 0.1887 0.2155 0.0172 0.0171 0.0025 309 PHE B CA 5674 C C . PHE B 310 ? 0.3715 0.2054 0.2330 0.0187 0.0170 0.0020 309 PHE B C 5675 O O . PHE B 310 ? 0.3764 0.2182 0.2462 0.0160 0.0161 0.0010 309 PHE B O 5676 C CB . PHE B 310 ? 0.3431 0.2013 0.2236 0.0236 0.0140 0.0029 309 PHE B CB 5677 C CG . PHE B 310 ? 0.3317 0.1991 0.2206 0.0218 0.0138 0.0032 309 PHE B CG 5678 C CD1 . PHE B 310 ? 0.3445 0.2041 0.2242 0.0255 0.0137 0.0040 309 PHE B CD1 5679 C CD2 . PHE B 310 ? 0.3190 0.2008 0.2231 0.0167 0.0134 0.0025 309 PHE B CD2 5680 C CE1 . PHE B 310 ? 0.3423 0.2090 0.2284 0.0235 0.0138 0.0041 309 PHE B CE1 5681 C CE2 . PHE B 310 ? 0.3177 0.2071 0.2289 0.0151 0.0135 0.0027 309 PHE B CE2 5682 C CZ . PHE B 310 ? 0.3184 0.2005 0.2208 0.0183 0.0139 0.0035 309 PHE B CZ 5683 N N . TYR B 311 ? 0.4036 0.2207 0.2481 0.0238 0.0176 0.0026 310 TYR B N 5684 C CA . TYR B 311 ? 0.4361 0.2442 0.2719 0.0270 0.0173 0.0021 310 TYR B CA 5685 C C . TYR B 311 ? 0.4332 0.2428 0.2662 0.0386 0.0146 0.0022 310 TYR B C 5686 O O . TYR B 311 ? 0.4379 0.2390 0.2610 0.0448 0.0135 0.0027 310 TYR B O 5687 C CB . TYR B 311 ? 0.4876 0.2729 0.3046 0.0232 0.0204 0.0020 310 TYR B CB 5688 C CG . TYR B 311 ? 0.5447 0.3220 0.3545 0.0250 0.0202 0.0012 310 TYR B CG 5689 C CD1 . TYR B 311 ? 0.6100 0.3796 0.4095 0.0353 0.0186 0.0015 310 TYR B CD1 5690 C CD2 . TYR B 311 ? 0.5753 0.3545 0.3898 0.0170 0.0211 -0.0002 310 TYR B CD2 5691 C CE1 . TYR B 311 ? 0.6477 0.4101 0.4407 0.0369 0.0188 0.0005 310 TYR B CE1 5692 C CE2 . TYR B 311 ? 0.6296 0.4013 0.4371 0.0184 0.0208 -0.0011 310 TYR B CE2 5693 C CZ . TYR B 311 ? 0.6655 0.4285 0.4620 0.0281 0.0200 -0.0005 310 TYR B CZ 5694 O OH . TYR B 311 ? 0.7169 0.4718 0.5059 0.0293 0.0201 -0.0015 310 TYR B OH 5695 N N . TYR B 312 ? 0.4282 0.2483 0.2695 0.0418 0.0136 0.0011 311 TYR B N 5696 C CA . TYR B 312 ? 0.4441 0.2691 0.2864 0.0524 0.0116 -0.0001 311 TYR B CA 5697 C C . TYR B 312 ? 0.4847 0.2965 0.3145 0.0565 0.0123 -0.0010 311 TYR B C 5698 O O . TYR B 312 ? 0.5051 0.3172 0.3363 0.0523 0.0138 -0.0014 311 TYR B O 5699 C CB . TYR B 312 ? 0.4247 0.2713 0.2855 0.0526 0.0112 -0.0013 311 TYR B CB 5700 C CG . TYR B 312 ? 0.3868 0.2479 0.2604 0.0514 0.0099 -0.0010 311 TYR B CG 5701 C CD1 . TYR B 312 ? 0.3812 0.2473 0.2618 0.0428 0.0106 0.0002 311 TYR B CD1 5702 C CD2 . TYR B 312 ? 0.3853 0.2557 0.2645 0.0593 0.0076 -0.0027 311 TYR B CD2 5703 C CE1 . TYR B 312 ? 0.3612 0.2400 0.2530 0.0418 0.0096 0.0004 311 TYR B CE1 5704 C CE2 . TYR B 312 ? 0.3638 0.2472 0.2544 0.0580 0.0064 -0.0028 311 TYR B CE2 5705 C CZ . TYR B 312 ? 0.3618 0.2488 0.2581 0.0492 0.0076 -0.0008 311 TYR B CZ 5706 O OH . TYR B 312 ? 0.3586 0.2572 0.2650 0.0483 0.0064 -0.0009 311 TYR B OH 5707 N N . GLU B 313 ? 0.5165 0.3154 0.3327 0.0652 0.0108 -0.0015 312 GLU B N 5708 C CA . GLU B 313 ? 0.5862 0.3734 0.3910 0.0712 0.0111 -0.0029 312 GLU B CA 5709 C C . GLU B 313 ? 0.5645 0.3690 0.3827 0.0778 0.0106 -0.0059 312 GLU B C 5710 O O . GLU B 313 ? 0.5874 0.3884 0.4021 0.0795 0.0122 -0.0073 312 GLU B O 5711 C CB . GLU B 313 ? 0.6314 0.3972 0.4155 0.0792 0.0092 -0.0027 312 GLU B CB 5712 C CG . GLU B 313 ? 0.7163 0.4620 0.4848 0.0707 0.0117 -0.0001 312 GLU B CG 5713 C CD . GLU B 313 ? 0.7963 0.5187 0.5421 0.0774 0.0101 0.0007 312 GLU B CD 5714 O OE1 . GLU B 313 ? 0.8466 0.5646 0.5856 0.0901 0.0063 -0.0009 312 GLU B OE1 5715 O OE2 . GLU B 313 ? 0.8558 0.5633 0.5900 0.0700 0.0128 0.0026 312 GLU B OE2 5716 N N . SER B 314 ? 0.5642 0.3868 0.3971 0.0812 0.0087 -0.0073 313 SER B N 5717 C CA . SER B 314 ? 0.5765 0.4183 0.4250 0.0856 0.0093 -0.0109 313 SER B CA 5718 C C . SER B 314 ? 0.5137 0.3752 0.3803 0.0798 0.0096 -0.0105 313 SER B C 5719 O O . SER B 314 ? 0.5485 0.4152 0.4192 0.0817 0.0068 -0.0103 313 SER B O 5720 C CB . SER B 314 ? 0.6077 0.4509 0.4548 0.0990 0.0059 -0.0147 313 SER B CB 5721 O OG . SER B 314 ? 0.6564 0.5212 0.5217 0.1024 0.0069 -0.0193 313 SER B OG 5722 N N . PHE B 315 ? 0.4794 0.3503 0.3552 0.0732 0.0129 -0.0106 314 PHE B N 5723 C CA . PHE B 315 ? 0.4525 0.3381 0.3424 0.0663 0.0135 -0.0097 314 PHE B CA 5724 C C . PHE B 315 ? 0.4536 0.3565 0.3575 0.0681 0.0160 -0.0134 314 PHE B C 5725 O O . PHE B 315 ? 0.4673 0.3686 0.3690 0.0694 0.0190 -0.0154 314 PHE B O 5726 C CB . PHE B 315 ? 0.4341 0.3131 0.3204 0.0567 0.0150 -0.0068 314 PHE B CB 5727 C CG . PHE B 315 ? 0.4104 0.3015 0.3087 0.0496 0.0153 -0.0057 314 PHE B CG 5728 C CD1 . PHE B 315 ? 0.4062 0.2996 0.3080 0.0464 0.0133 -0.0039 314 PHE B CD1 5729 C CD2 . PHE B 315 ? 0.4070 0.3046 0.3107 0.0461 0.0178 -0.0065 314 PHE B CD2 5730 C CE1 . PHE B 315 ? 0.3919 0.2953 0.3039 0.0405 0.0133 -0.0031 314 PHE B CE1 5731 C CE2 . PHE B 315 ? 0.3860 0.2918 0.2981 0.0401 0.0178 -0.0055 314 PHE B CE2 5732 C CZ . PHE B 315 ? 0.3889 0.2981 0.3057 0.0376 0.0153 -0.0038 314 PHE B CZ 5733 N N . PRO B 316 ? 0.4505 0.3694 0.3684 0.0675 0.0155 -0.0149 315 PRO B N 5734 C CA . PRO B 316 ? 0.4715 0.3932 0.3927 0.0655 0.0123 -0.0127 315 PRO B CA 5735 C C . PRO B 316 ? 0.4976 0.4253 0.4223 0.0743 0.0083 -0.0155 315 PRO B C 5736 O O . PRO B 316 ? 0.5157 0.4481 0.4447 0.0729 0.0060 -0.0145 315 PRO B O 5737 C CB . PRO B 316 ? 0.4485 0.3844 0.3831 0.0586 0.0147 -0.0129 315 PRO B CB 5738 C CG . PRO B 316 ? 0.4442 0.3906 0.3867 0.0615 0.0184 -0.0176 315 PRO B CG 5739 C CD . PRO B 316 ? 0.4561 0.3906 0.3873 0.0658 0.0195 -0.0183 315 PRO B CD 5740 N N . ASP B 317 ? 0.5192 0.4474 0.4426 0.0836 0.0072 -0.0195 316 ASP B N 5741 C CA . ASP B 317 ? 0.5717 0.5097 0.5019 0.0927 0.0027 -0.0237 316 ASP B CA 5742 C C . ASP B 317 ? 0.6360 0.5572 0.5498 0.1007 -0.0028 -0.0224 316 ASP B C 5743 O O . ASP B 317 ? 0.7029 0.6293 0.6193 0.1106 -0.0077 -0.0265 316 ASP B O 5744 C CB . ASP B 317 ? 0.6048 0.5572 0.5467 0.0995 0.0041 -0.0307 316 ASP B CB 5745 C CG . ASP B 317 ? 0.6146 0.5856 0.5739 0.0920 0.0098 -0.0333 316 ASP B CG 5746 O OD1 . ASP B 317 ? 0.5879 0.5643 0.5532 0.0839 0.0107 -0.0307 316 ASP B OD1 5747 O OD2 . ASP B 317 ? 0.6945 0.6738 0.6608 0.0942 0.0138 -0.0382 316 ASP B OD2 5748 N N . ARG B 318 ? 0.6090 0.5097 0.5056 0.0967 -0.0020 -0.0173 317 ARG B N 5749 C CA . ARG B 318 ? 0.6466 0.5274 0.5242 0.1023 -0.0061 -0.0154 317 ARG B CA 5750 C C . ARG B 318 ? 0.6010 0.4729 0.4723 0.0928 -0.0047 -0.0104 317 ARG B C 5751 O O . ARG B 318 ? 0.5588 0.4338 0.4354 0.0826 -0.0007 -0.0080 317 ARG B O 5752 C CB . ARG B 318 ? 0.7283 0.5895 0.5884 0.1061 -0.0052 -0.0149 317 ARG B CB 5753 C CG . ARG B 318 ? 0.8252 0.6898 0.6863 0.1187 -0.0078 -0.0202 317 ARG B CG 5754 C CD . ARG B 318 ? 0.9326 0.7766 0.7732 0.1293 -0.0133 -0.0203 317 ARG B CD 5755 N NE . ARG B 318 ? 1.0180 0.8355 0.8362 0.1244 -0.0107 -0.0155 317 ARG B NE 5756 C CZ . ARG B 318 ? 1.0751 0.8806 0.8835 0.1251 -0.0080 -0.0155 317 ARG B CZ 5757 N NH1 . ARG B 318 ? 1.0699 0.8873 0.8883 0.1311 -0.0074 -0.0201 317 ARG B NH1 5758 N NH2 . ARG B 318 ? 1.1169 0.8984 0.9053 0.1194 -0.0055 -0.0115 317 ARG B NH2 5759 N N . ASP B 319 ? 0.5733 0.4338 0.4329 0.0965 -0.0082 -0.0092 318 ASP B N 5760 C CA . ASP B 319 ? 0.5639 0.4161 0.4176 0.0877 -0.0063 -0.0051 318 ASP B CA 5761 C C . ASP B 319 ? 0.5083 0.3422 0.3482 0.0799 -0.0018 -0.0020 318 ASP B C 5762 O O . ASP B 319 ? 0.5240 0.3422 0.3494 0.0841 -0.0017 -0.0021 318 ASP B O 5763 C CB . ASP B 319 ? 0.6310 0.4715 0.4714 0.0938 -0.0106 -0.0048 318 ASP B CB 5764 C CG . ASP B 319 ? 0.6701 0.5299 0.5255 0.0992 -0.0153 -0.0079 318 ASP B CG 5765 O OD1 . ASP B 319 ? 0.7149 0.5969 0.5914 0.0944 -0.0138 -0.0094 318 ASP B OD1 5766 O OD2 . ASP B 319 ? 0.7560 0.6076 0.6007 0.1084 -0.0208 -0.0093 318 ASP B OD2 5767 N N . PRO B 320 ? 0.4439 0.2808 0.2895 0.0685 0.0018 0.0002 319 PRO B N 5768 C CA . PRO B 320 ? 0.4375 0.2604 0.2736 0.0603 0.0060 0.0020 319 PRO B CA 5769 C C . PRO B 320 ? 0.4460 0.2464 0.2623 0.0576 0.0079 0.0039 319 PRO B C 5770 O O . PRO B 320 ? 0.4443 0.2411 0.2553 0.0608 0.0061 0.0043 319 PRO B O 5771 C CB . PRO B 320 ? 0.4160 0.2547 0.2693 0.0503 0.0083 0.0024 319 PRO B CB 5772 C CG . PRO B 320 ? 0.4093 0.2611 0.2731 0.0515 0.0064 0.0023 319 PRO B CG 5773 C CD . PRO B 320 ? 0.4216 0.2772 0.2850 0.0629 0.0022 0.0003 319 PRO B CD 5774 N N . LYS B 321 ? 0.4436 0.2287 0.2487 0.0512 0.0117 0.0046 320 LYS B N 5775 C CA . LYS B 321 ? 0.4559 0.2219 0.2456 0.0441 0.0158 0.0059 320 LYS B CA 5776 C C . LYS B 321 ? 0.4287 0.2087 0.2343 0.0332 0.0188 0.0057 320 LYS B C 5777 O O . LYS B 321 ? 0.4097 0.2081 0.2336 0.0298 0.0182 0.0048 320 LYS B O 5778 C CB . LYS B 321 ? 0.4851 0.2315 0.2594 0.0398 0.0194 0.0058 320 LYS B CB 5779 C CG . LYS B 321 ? 0.5215 0.2550 0.2817 0.0499 0.0167 0.0055 320 LYS B CG 5780 C CD . LYS B 321 ? 0.5460 0.2684 0.2919 0.0620 0.0124 0.0059 320 LYS B CD 5781 C CE . LYS B 321 ? 0.5789 0.2943 0.3164 0.0731 0.0090 0.0046 320 LYS B CE 5782 N NZ . LYS B 321 ? 0.6186 0.3228 0.3418 0.0860 0.0037 0.0043 320 LYS B NZ 5783 N N . ILE B 322 ? 0.4250 0.1961 0.2232 0.0280 0.0220 0.0063 321 ILE B N 5784 C CA . ILE B 322 ? 0.4072 0.1933 0.2217 0.0193 0.0245 0.0055 321 ILE B CA 5785 C C . ILE B 322 ? 0.4206 0.1955 0.2293 0.0074 0.0312 0.0043 321 ILE B C 5786 O O . ILE B 322 ? 0.4338 0.1854 0.2211 0.0058 0.0351 0.0048 321 ILE B O 5787 C CB . ILE B 322 ? 0.4139 0.2052 0.2303 0.0233 0.0225 0.0064 321 ILE B CB 5788 C CG1 . ILE B 322 ? 0.4210 0.2260 0.2459 0.0344 0.0159 0.0065 321 ILE B CG1 5789 C CG2 . ILE B 322 ? 0.4000 0.2074 0.2338 0.0148 0.0250 0.0054 321 ILE B CG2 5790 C CD1 . ILE B 322 ? 0.4460 0.2557 0.2719 0.0391 0.0130 0.0068 321 ILE B CD1 5791 N N . CYS B 323 ? 0.4052 0.1964 0.2327 -0.0006 0.0325 0.0022 322 CYS B N 5792 C CA A CYS B 323 ? 0.4190 0.2063 0.2476 -0.0126 0.0388 -0.0004 322 CYS B CA 5793 C CA B CYS B 323 ? 0.4209 0.2085 0.2498 -0.0127 0.0388 -0.0005 322 CYS B CA 5794 C C . CYS B 323 ? 0.4089 0.2098 0.2505 -0.0160 0.0401 -0.0012 322 CYS B C 5795 O O . CYS B 323 ? 0.3846 0.2055 0.2436 -0.0126 0.0357 -0.0010 322 CYS B O 5796 C CB A CYS B 323 ? 0.4198 0.2170 0.2614 -0.0186 0.0384 -0.0033 322 CYS B CB 5797 C CB B CYS B 323 ? 0.4236 0.2218 0.2663 -0.0190 0.0384 -0.0035 322 CYS B CB 5798 S SG A CYS B 323 ? 0.4456 0.2403 0.2914 -0.0336 0.0458 -0.0086 322 CYS B SG 5799 S SG B CYS B 323 ? 0.4685 0.2475 0.2944 -0.0192 0.0394 -0.0038 322 CYS B SG 5800 N N . PHE B 324 ? 0.4195 0.2084 0.2518 -0.0230 0.0468 -0.0024 323 PHE B N 5801 C CA . PHE B 324 ? 0.4164 0.2148 0.2576 -0.0259 0.0489 -0.0033 323 PHE B CA 5802 C C . PHE B 324 ? 0.4209 0.2287 0.2765 -0.0378 0.0545 -0.0082 323 PHE B C 5803 O O . PHE B 324 ? 0.4397 0.2366 0.2888 -0.0460 0.0601 -0.0111 323 PHE B O 5804 C CB . PHE B 324 ? 0.4357 0.2124 0.2538 -0.0243 0.0527 -0.0012 323 PHE B CB 5805 C CG . PHE B 324 ? 0.4392 0.2081 0.2442 -0.0115 0.0462 0.0026 323 PHE B CG 5806 C CD1 . PHE B 324 ? 0.4259 0.2090 0.2406 -0.0046 0.0409 0.0040 323 PHE B CD1 5807 C CD2 . PHE B 324 ? 0.4578 0.2057 0.2414 -0.0061 0.0451 0.0044 323 PHE B CD2 5808 C CE1 . PHE B 324 ? 0.4351 0.2138 0.2405 0.0072 0.0345 0.0064 323 PHE B CE1 5809 C CE2 . PHE B 324 ? 0.4714 0.2143 0.2451 0.0067 0.0383 0.0070 323 PHE B CE2 5810 C CZ . PHE B 324 ? 0.4543 0.2136 0.2399 0.0133 0.0329 0.0076 323 PHE B CZ 5811 N N . GLY B 325 ? 0.3983 0.2259 0.2731 -0.0388 0.0532 -0.0098 324 GLY B N 5812 C CA . GLY B 325 ? 0.3913 0.2287 0.2804 -0.0492 0.0587 -0.0152 324 GLY B CA 5813 C C . GLY B 325 ? 0.3965 0.2347 0.2852 -0.0503 0.0625 -0.0152 324 GLY B C 5814 O O . GLY B 325 ? 0.4037 0.2295 0.2763 -0.0446 0.0621 -0.0112 324 GLY B O 5815 N N . ASP B 326 ? 0.3854 0.2384 0.2920 -0.0575 0.0659 -0.0203 325 ASP B N 5816 C CA . ASP B 326 ? 0.3872 0.2407 0.2937 -0.0598 0.0708 -0.0212 325 ASP B CA 5817 C C . ASP B 326 ? 0.3591 0.2309 0.2801 -0.0519 0.0633 -0.0191 325 ASP B C 5818 O O . ASP B 326 ? 0.3516 0.2379 0.2862 -0.0471 0.0557 -0.0184 325 ASP B O 5819 C CB . ASP B 326 ? 0.4021 0.2622 0.3209 -0.0717 0.0792 -0.0287 325 ASP B CB 5820 C CG . ASP B 326 ? 0.4377 0.2889 0.3478 -0.0766 0.0881 -0.0300 325 ASP B CG 5821 O OD1 . ASP B 326 ? 0.4429 0.2837 0.3381 -0.0704 0.0868 -0.0249 325 ASP B OD1 5822 O OD2 . ASP B 326 ? 0.4668 0.3212 0.3848 -0.0873 0.0968 -0.0367 325 ASP B OD2 5823 N N . GLY B 327 ? 0.3602 0.2288 0.2759 -0.0507 0.0657 -0.0179 326 GLY B N 5824 C CA . GLY B 327 ? 0.3384 0.2214 0.2648 -0.0438 0.0596 -0.0158 326 GLY B CA 5825 C C . GLY B 327 ? 0.3468 0.2157 0.2550 -0.0398 0.0609 -0.0123 326 GLY B C 5826 O O . GLY B 327 ? 0.3510 0.2014 0.2416 -0.0446 0.0685 -0.0128 326 GLY B O 5827 N N . ASP B 328 ? 0.3275 0.2044 0.2392 -0.0314 0.0536 -0.0091 327 ASP B N 5828 C CA . ASP B 328 ? 0.3500 0.2167 0.2472 -0.0268 0.0532 -0.0064 327 ASP B CA 5829 C C . ASP B 328 ? 0.3612 0.2181 0.2439 -0.0172 0.0466 -0.0021 327 ASP B C 5830 O O . ASP B 328 ? 0.3689 0.2209 0.2424 -0.0113 0.0435 -0.0002 327 ASP B O 5831 C CB . ASP B 328 ? 0.3348 0.2181 0.2473 -0.0253 0.0508 -0.0073 327 ASP B CB 5832 C CG . ASP B 328 ? 0.3277 0.2283 0.2551 -0.0186 0.0419 -0.0057 327 ASP B CG 5833 O OD1 . ASP B 328 ? 0.3197 0.2192 0.2448 -0.0143 0.0375 -0.0037 327 ASP B OD1 5834 O OD2 . ASP B 328 ? 0.3211 0.2353 0.2616 -0.0178 0.0398 -0.0066 327 ASP B OD2 5835 N N . GLY B 329 ? 0.3605 0.2139 0.2405 -0.0155 0.0445 -0.0012 328 GLY B N 5836 C CA . GLY B 329 ? 0.3745 0.2210 0.2435 -0.0059 0.0380 0.0018 328 GLY B CA 5837 C C . GLY B 329 ? 0.3687 0.2349 0.2557 -0.0008 0.0309 0.0022 328 GLY B C 5838 O O . GLY B 329 ? 0.3795 0.2427 0.2617 0.0051 0.0269 0.0035 328 GLY B O 5839 N N . THR B 330 ? 0.3440 0.2291 0.2507 -0.0032 0.0299 0.0008 329 THR B N 5840 C CA . THR B 330 ? 0.3444 0.2470 0.2672 0.0006 0.0241 0.0010 329 THR B CA 5841 C C . THR B 330 ? 0.3257 0.2409 0.2652 -0.0053 0.0253 -0.0011 329 THR B C 5842 O O . THR B 330 ? 0.3383 0.2579 0.2832 -0.0048 0.0230 -0.0012 329 THR B O 5843 C CB . THR B 330 ? 0.3569 0.2688 0.2852 0.0051 0.0203 0.0015 329 THR B CB 5844 O OG1 . THR B 330 ? 0.3796 0.2803 0.2926 0.0118 0.0177 0.0029 329 THR B OG1 5845 C CG2 . THR B 330 ? 0.3733 0.3019 0.3172 0.0076 0.0157 0.0014 329 THR B CG2 5846 N N . VAL B 331 ? 0.3034 0.2239 0.2507 -0.0105 0.0285 -0.0034 330 VAL B N 5847 C CA . VAL B 331 ? 0.2852 0.2181 0.2488 -0.0153 0.0288 -0.0064 330 VAL B CA 5848 C C . VAL B 331 ? 0.2941 0.2205 0.2557 -0.0222 0.0340 -0.0094 330 VAL B C 5849 O O . VAL B 331 ? 0.2951 0.2120 0.2486 -0.0270 0.0403 -0.0108 330 VAL B O 5850 C CB . VAL B 331 ? 0.2791 0.2219 0.2532 -0.0170 0.0297 -0.0084 330 VAL B CB 5851 C CG1 . VAL B 331 ? 0.2756 0.2307 0.2664 -0.0210 0.0294 -0.0124 330 VAL B CG1 5852 C CG2 . VAL B 331 ? 0.2780 0.2273 0.2545 -0.0109 0.0246 -0.0059 330 VAL B CG2 5853 N N . ASN B 332 ? 0.2920 0.2231 0.2602 -0.0231 0.0315 -0.0106 331 ASN B N 5854 C CA . ASN B 332 ? 0.3148 0.2414 0.2829 -0.0298 0.0355 -0.0141 331 ASN B CA 5855 C C . ASN B 332 ? 0.3288 0.2654 0.3109 -0.0362 0.0391 -0.0195 331 ASN B C 5856 O O . ASN B 332 ? 0.3061 0.2567 0.3021 -0.0342 0.0356 -0.0207 331 ASN B O 5857 C CB . ASN B 332 ? 0.3109 0.2411 0.2833 -0.0283 0.0307 -0.0142 331 ASN B CB 5858 C CG . ASN B 332 ? 0.3252 0.2469 0.2852 -0.0217 0.0275 -0.0095 331 ASN B CG 5859 O OD1 . ASN B 332 ? 0.2978 0.2265 0.2615 -0.0158 0.0227 -0.0071 331 ASN B OD1 5860 N ND2 . ASN B 332 ? 0.3333 0.2398 0.2787 -0.0227 0.0305 -0.0087 331 ASN B ND2 5861 N N . LEU B 333 ? 0.3476 0.2769 0.3259 -0.0439 0.0464 -0.0231 332 LEU B N 5862 C CA . LEU B 333 ? 0.3599 0.2994 0.3525 -0.0508 0.0511 -0.0296 332 LEU B CA 5863 C C . LEU B 333 ? 0.3675 0.3263 0.3819 -0.0500 0.0450 -0.0341 332 LEU B C 5864 O O . LEU B 333 ? 0.3742 0.3458 0.4029 -0.0506 0.0449 -0.0379 332 LEU B O 5865 C CB . LEU B 333 ? 0.3835 0.3124 0.3697 -0.0604 0.0602 -0.0338 332 LEU B CB 5866 C CG . LEU B 333 ? 0.3870 0.3265 0.3884 -0.0688 0.0669 -0.0418 332 LEU B CG 5867 C CD1 . LEU B 333 ? 0.4107 0.3528 0.4127 -0.0671 0.0695 -0.0411 332 LEU B CD1 5868 C CD2 . LEU B 333 ? 0.4152 0.3414 0.4071 -0.0791 0.0771 -0.0458 332 LEU B CD2 5869 N N . LYS B 334 ? 0.3669 0.3270 0.3829 -0.0479 0.0394 -0.0337 333 LYS B N 5870 C CA . LYS B 334 ? 0.3954 0.3714 0.4294 -0.0465 0.0327 -0.0380 333 LYS B CA 5871 C C . LYS B 334 ? 0.3411 0.3272 0.3828 -0.0394 0.0264 -0.0360 333 LYS B C 5872 O O . LYS B 334 ? 0.3178 0.3165 0.3743 -0.0385 0.0222 -0.0406 333 LYS B O 5873 C CB . LYS B 334 ? 0.4812 0.4540 0.5123 -0.0454 0.0278 -0.0377 333 LYS B CB 5874 C CG . LYS B 334 ? 0.5916 0.5574 0.6194 -0.0537 0.0338 -0.0419 333 LYS B CG 5875 C CD . LYS B 334 ? 0.6895 0.6515 0.7137 -0.0526 0.0287 -0.0417 333 LYS B CD 5876 C CE . LYS B 334 ? 0.7357 0.7131 0.7782 -0.0525 0.0219 -0.0483 333 LYS B CE 5877 N NZ . LYS B 334 ? 0.7978 0.7728 0.8352 -0.0460 0.0135 -0.0448 333 LYS B NZ 5878 N N A SER B 335 ? 0.3630 0.3437 0.3952 -0.0351 0.0266 -0.0302 334 SER B N 5879 N N B SER B 335 ? 0.2887 0.2679 0.3189 -0.0341 0.0252 -0.0292 334 SER B N 5880 C CA A SER B 335 ? 0.3443 0.3345 0.3848 -0.0306 0.0229 -0.0296 334 SER B CA 5881 C CA B SER B 335 ? 0.2473 0.2323 0.2805 -0.0274 0.0189 -0.0261 334 SER B CA 5882 C C A SER B 335 ? 0.3642 0.3650 0.4188 -0.0340 0.0260 -0.0359 334 SER B C 5883 C C B SER B 335 ? 0.2210 0.2123 0.2613 -0.0283 0.0216 -0.0281 334 SER B C 5884 O O A SER B 335 ? 0.3512 0.3626 0.4173 -0.0305 0.0208 -0.0381 334 SER B O 5885 O O B SER B 335 ? 0.2094 0.2108 0.2609 -0.0259 0.0176 -0.0305 334 SER B O 5886 C CB A SER B 335 ? 0.3512 0.3344 0.3799 -0.0263 0.0233 -0.0234 334 SER B CB 5887 C CB B SER B 335 ? 0.2399 0.2156 0.2589 -0.0227 0.0182 -0.0193 334 SER B CB 5888 O OG A SER B 335 ? 0.3576 0.3359 0.3783 -0.0218 0.0189 -0.0188 334 SER B OG 5889 O OG B SER B 335 ? 0.2217 0.2024 0.2431 -0.0172 0.0129 -0.0166 334 SER B OG 5890 N N A ALA B 336 ? 0.3412 0.3385 0.3943 -0.0406 0.0345 -0.0390 335 ALA B N 5891 N N B ALA B 336 ? 0.2103 0.1939 0.2423 -0.0318 0.0287 -0.0274 335 ALA B N 5892 C CA A ALA B 336 ? 0.3921 0.3995 0.4586 -0.0444 0.0388 -0.0455 335 ALA B CA 5893 C CA B ALA B 336 ? 0.2017 0.1888 0.2379 -0.0338 0.0331 -0.0297 335 ALA B CA 5894 C C A ALA B 336 ? 0.3887 0.4119 0.4756 -0.0453 0.0348 -0.0537 335 ALA B C 5895 C C B ALA B 336 ? 0.1904 0.1909 0.2449 -0.0374 0.0336 -0.0375 335 ALA B C 5896 O O A ALA B 336 ? 0.4004 0.4352 0.5012 -0.0451 0.0349 -0.0589 335 ALA B O 5897 O O B ALA B 336 ? 0.1744 0.1836 0.2384 -0.0359 0.0330 -0.0398 335 ALA B O 5898 C CB A ALA B 336 ? 0.4128 0.4111 0.4716 -0.0525 0.0499 -0.0476 335 ALA B CB 5899 C CB B ALA B 336 ? 0.2147 0.1881 0.2366 -0.0382 0.0414 -0.0286 335 ALA B CB 5900 N N A LEU B 337 ? 0.4019 0.4253 0.4903 -0.0459 0.0308 -0.0551 336 LEU B N 5901 N N B LEU B 337 ? 0.1889 0.1918 0.2493 -0.0415 0.0340 -0.0419 336 LEU B N 5902 C CA A LEU B 337 ? 0.4054 0.4437 0.5128 -0.0459 0.0255 -0.0633 336 LEU B CA 5903 C CA B LEU B 337 ? 0.1907 0.2073 0.2698 -0.0457 0.0353 -0.0510 336 LEU B CA 5904 C C A LEU B 337 ? 0.3841 0.4306 0.4986 -0.0371 0.0159 -0.0627 336 LEU B C 5905 C C B LEU B 337 ? 0.1855 0.2158 0.2796 -0.0399 0.0255 -0.0542 336 LEU B C 5906 O O A LEU B 337 ? 0.3636 0.4237 0.4951 -0.0356 0.0115 -0.0703 336 LEU B O 5907 O O B LEU B 337 ? 0.1780 0.2209 0.2890 -0.0421 0.0247 -0.0625 336 LEU B O 5908 C CB A LEU B 337 ? 0.4287 0.4639 0.5340 -0.0475 0.0219 -0.0644 336 LEU B CB 5909 C CB B LEU B 337 ? 0.1981 0.2120 0.2781 -0.0538 0.0407 -0.0559 336 LEU B CB 5910 C CG A LEU B 337 ? 0.4471 0.4764 0.5493 -0.0575 0.0309 -0.0681 336 LEU B CG 5911 C CG B LEU B 337 ? 0.2112 0.2145 0.2815 -0.0621 0.0528 -0.0570 336 LEU B CG 5912 C CD1 A LEU B 337 ? 0.4636 0.4865 0.5595 -0.0579 0.0268 -0.0672 336 LEU B CD1 5913 C CD1 B LEU B 337 ? 0.2204 0.2198 0.2907 -0.0706 0.0581 -0.0620 336 LEU B CD1 5914 C CD2 A LEU B 337 ? 0.4593 0.5029 0.5812 -0.0644 0.0360 -0.0792 336 LEU B CD2 5915 C CD2 B LEU B 337 ? 0.2103 0.2227 0.2918 -0.0649 0.0584 -0.0623 336 LEU B CD2 5916 N N A GLN B 338 ? 0.3732 0.4112 0.4748 -0.0313 0.0125 -0.0543 337 GLN B N 5917 N N B GLN B 338 ? 0.1880 0.2156 0.2761 -0.0325 0.0181 -0.0482 337 GLN B N 5918 C CA A GLN B 338 ? 0.3808 0.4233 0.4860 -0.0237 0.0045 -0.0532 337 GLN B CA 5919 C CA B GLN B 338 ? 0.1926 0.2293 0.2908 -0.0264 0.0089 -0.0507 337 GLN B CA 5920 C C A GLN B 338 ? 0.3598 0.4114 0.4760 -0.0233 0.0069 -0.0575 337 GLN B C 5921 C C B GLN B 338 ? 0.1988 0.2469 0.3108 -0.0250 0.0089 -0.0560 337 GLN B C 5922 O O A GLN B 338 ? 0.3717 0.4333 0.5005 -0.0193 0.0010 -0.0629 337 GLN B O 5923 O O B GLN B 338 ? 0.1943 0.2513 0.3174 -0.0206 0.0017 -0.0606 337 GLN B O 5924 C CB A GLN B 338 ? 0.4112 0.4427 0.5005 -0.0190 0.0020 -0.0440 337 GLN B CB 5925 C CB B GLN B 338 ? 0.1886 0.2180 0.2753 -0.0197 0.0029 -0.0431 337 GLN B CB 5926 C CG A GLN B 338 ? 0.4323 0.4659 0.5230 -0.0119 -0.0056 -0.0428 337 GLN B CG 5927 C CG B GLN B 338 ? 0.1917 0.2128 0.2682 -0.0184 -0.0005 -0.0392 337 GLN B CG 5928 C CD A GLN B 338 ? 0.4652 0.4996 0.5579 -0.0080 -0.0144 -0.0451 337 GLN B CD 5929 C CD B GLN B 338 ? 0.1957 0.2203 0.2788 -0.0210 -0.0030 -0.0448 337 GLN B CD 5930 O OE1 A GLN B 338 ? 0.4669 0.5018 0.5616 -0.0104 -0.0154 -0.0480 337 GLN B OE1 5931 O OE1 B GLN B 338 ? 0.1910 0.2223 0.2828 -0.0177 -0.0103 -0.0492 337 GLN B OE1 5932 N NE2 A GLN B 338 ? 0.4913 0.5243 0.5820 -0.0018 -0.0209 -0.0438 337 GLN B NE2 5933 N NE2 B GLN B 338 ? 0.1991 0.2177 0.2766 -0.0264 0.0023 -0.0446 337 GLN B NE2 5934 N N A CYS B 339 ? 0.3555 0.4032 0.4666 -0.0270 0.0153 -0.0555 338 CYS B N 5935 N N B CYS B 339 ? 0.2195 0.2660 0.3293 -0.0280 0.0166 -0.0552 338 CYS B N 5936 C CA A CYS B 339 ? 0.3664 0.4229 0.4884 -0.0271 0.0183 -0.0604 338 CYS B CA 5937 C CA B CYS B 339 ? 0.2373 0.2938 0.3594 -0.0275 0.0185 -0.0605 338 CYS B CA 5938 C C A CYS B 339 ? 0.3210 0.3916 0.4624 -0.0310 0.0201 -0.0712 338 CYS B C 5939 C C B CYS B 339 ? 0.2649 0.3356 0.4065 -0.0308 0.0197 -0.0712 338 CYS B C 5940 O O A CYS B 339 ? 0.3082 0.3902 0.4635 -0.0277 0.0173 -0.0770 338 CYS B O 5941 O O B CYS B 339 ? 0.2635 0.3455 0.4188 -0.0276 0.0172 -0.0770 338 CYS B O 5942 C CB A CYS B 339 ? 0.3955 0.4446 0.5077 -0.0303 0.0270 -0.0569 338 CYS B CB 5943 C CB B CYS B 339 ? 0.2381 0.2882 0.3523 -0.0323 0.0286 -0.0587 338 CYS B CB 5944 S SG A CYS B 339 ? 0.4787 0.5125 0.5733 -0.0368 0.0352 -0.0522 338 CYS B SG 5945 S SG B CYS B 339 ? 0.2208 0.2548 0.3127 -0.0297 0.0291 -0.0476 338 CYS B SG 5946 N N . GLN B 340 ? 0.3203 0.3906 0.4633 -0.0377 0.0242 -0.0746 339 GLN B N 5947 C CA . GLN B 340 ? 0.3476 0.4329 0.5110 -0.0421 0.0259 -0.0861 339 GLN B CA 5948 C C . GLN B 340 ? 0.3253 0.4226 0.5026 -0.0345 0.0135 -0.0912 339 GLN B C 5949 O O . GLN B 340 ? 0.3526 0.4655 0.5493 -0.0333 0.0119 -0.1007 339 GLN B O 5950 C CB . GLN B 340 ? 0.4129 0.4938 0.5735 -0.0512 0.0326 -0.0884 339 GLN B CB 5951 C CG . GLN B 340 ? 0.4775 0.5748 0.6602 -0.0574 0.0356 -0.1014 339 GLN B CG 5952 C CD . GLN B 340 ? 0.5597 0.6505 0.7377 -0.0673 0.0427 -0.1035 339 GLN B CD 5953 O OE1 . GLN B 340 ? 0.6094 0.6926 0.7785 -0.0660 0.0375 -0.0995 339 GLN B OE1 5954 N NE2 . GLN B 340 ? 0.6228 0.7155 0.8059 -0.0775 0.0553 -0.1099 339 GLN B NE2 5955 N N . ALA B 341 ? 0.3129 0.4023 0.4796 -0.0288 0.0046 -0.0852 340 ALA B N 5956 C CA . ALA B 341 ? 0.3080 0.4045 0.4832 -0.0208 -0.0079 -0.0891 340 ALA B CA 5957 C C . ALA B 341 ? 0.3067 0.4081 0.4871 -0.0129 -0.0130 -0.0901 340 ALA B C 5958 O O . ALA B 341 ? 0.2782 0.3900 0.4717 -0.0070 -0.0215 -0.0974 340 ALA B O 5959 C CB . ALA B 341 ? 0.3264 0.4098 0.4850 -0.0168 -0.0148 -0.0813 340 ALA B CB 5960 N N . TRP B 342 ? 0.2729 0.3663 0.4424 -0.0123 -0.0082 -0.0830 341 TRP B N 5961 C CA . TRP B 342 ? 0.2717 0.3677 0.4441 -0.0052 -0.0124 -0.0834 341 TRP B CA 5962 C C . TRP B 342 ? 0.2941 0.4062 0.4869 -0.0061 -0.0092 -0.0940 341 TRP B C 5963 O O . TRP B 342 ? 0.2883 0.4057 0.4880 0.0012 -0.0156 -0.0975 341 TRP B O 5964 C CB . TRP B 342 ? 0.2645 0.3481 0.4203 -0.0051 -0.0081 -0.0738 341 TRP B CB 5965 C CG . TRP B 342 ? 0.2544 0.3239 0.3919 -0.0023 -0.0126 -0.0643 341 TRP B CG 5966 C CD1 . TRP B 342 ? 0.2622 0.3275 0.3952 0.0027 -0.0219 -0.0632 341 TRP B CD1 5967 C CD2 . TRP B 342 ? 0.2508 0.3087 0.3723 -0.0042 -0.0078 -0.0554 341 TRP B CD2 5968 N NE1 . TRP B 342 ? 0.2640 0.3159 0.3793 0.0033 -0.0219 -0.0541 341 TRP B NE1 5969 C CE2 . TRP B 342 ? 0.2441 0.2925 0.3534 -0.0007 -0.0137 -0.0495 341 TRP B CE2 5970 C CE3 . TRP B 342 ? 0.2589 0.3132 0.3749 -0.0083 0.0005 -0.0522 341 TRP B CE3 5971 C CZ2 . TRP B 342 ? 0.2551 0.2929 0.3495 -0.0014 -0.0110 -0.0414 341 TRP B CZ2 5972 C CZ3 . TRP B 342 ? 0.2597 0.3029 0.3601 -0.0083 0.0019 -0.0440 341 TRP B CZ3 5973 C CH2 . TRP B 342 ? 0.2593 0.2956 0.3504 -0.0049 -0.0037 -0.0390 341 TRP B CH2 5974 N N . GLN B 343 ? 0.3465 0.4657 0.5485 -0.0151 0.0007 -0.0994 342 GLN B N 5975 C CA . GLN B 343 ? 0.4034 0.5392 0.6264 -0.0171 0.0054 -0.1106 342 GLN B CA 5976 C C . GLN B 343 ? 0.4111 0.5625 0.6536 -0.0092 -0.0057 -0.1209 342 GLN B C 5977 O O . GLN B 343 ? 0.4114 0.5733 0.6669 -0.0050 -0.0066 -0.1274 342 GLN B O 5978 C CB . GLN B 343 ? 0.4597 0.6006 0.6901 -0.0290 0.0173 -0.1164 342 GLN B CB 5979 C CG . GLN B 343 ? 0.5171 0.6427 0.7291 -0.0366 0.0294 -0.1083 342 GLN B CG 5980 C CD . GLN B 343 ? 0.5809 0.7099 0.7992 -0.0488 0.0423 -0.1151 342 GLN B CD 5981 O OE1 . GLN B 343 ? 0.6008 0.7337 0.8252 -0.0535 0.0421 -0.1197 342 GLN B OE1 5982 N NE2 . GLN B 343 ? 0.6019 0.7282 0.8175 -0.0543 0.0538 -0.1160 342 GLN B NE2 5983 N N . SER B 344 ? 0.4079 0.5605 0.6521 -0.0068 -0.0146 -0.1226 343 SER B N 5984 C CA . SER B 344 ? 0.4424 0.6093 0.7044 0.0011 -0.0263 -0.1331 343 SER B CA 5985 C C . SER B 344 ? 0.4413 0.5981 0.6914 0.0138 -0.0398 -0.1279 343 SER B C 5986 O O . SER B 344 ? 0.4386 0.6045 0.7004 0.0225 -0.0509 -0.1360 343 SER B O 5987 C CB . SER B 344 ? 0.4682 0.6424 0.7396 -0.0027 -0.0296 -0.1397 343 SER B CB 5988 O OG . SER B 344 ? 0.4925 0.6501 0.7435 -0.0014 -0.0348 -0.1300 343 SER B OG 5989 N N . ARG B 345 ? 0.3877 0.5258 0.6146 0.0150 -0.0387 -0.1152 344 ARG B N 5990 C CA . ARG B 345 ? 0.4117 0.5371 0.6240 0.0254 -0.0498 -0.1095 344 ARG B CA 5991 C C . ARG B 345 ? 0.3908 0.5116 0.5981 0.0303 -0.0488 -0.1065 344 ARG B C 5992 O O . ARG B 345 ? 0.3990 0.5079 0.5932 0.0385 -0.0572 -0.1021 344 ARG B O 5993 C CB . ARG B 345 ? 0.4415 0.5484 0.6307 0.0235 -0.0501 -0.0978 344 ARG B CB 5994 C CG . ARG B 345 ? 0.4766 0.5843 0.6667 0.0217 -0.0545 -0.1001 344 ARG B CG 5995 C CD . ARG B 345 ? 0.5206 0.6103 0.6881 0.0193 -0.0530 -0.0887 344 ARG B CD 5996 N NE . ARG B 345 ? 0.5727 0.6635 0.7415 0.0145 -0.0533 -0.0906 344 ARG B NE 5997 C CZ . ARG B 345 ? 0.6017 0.6820 0.7568 0.0089 -0.0477 -0.0831 344 ARG B CZ 5998 N NH1 . ARG B 345 ? 0.5825 0.6512 0.7223 0.0072 -0.0416 -0.0734 344 ARG B NH1 5999 N NH2 . ARG B 345 ? 0.6304 0.7121 0.7876 0.0049 -0.0485 -0.0860 344 ARG B NH2 6000 N N . GLN B 346 ? 0.3593 0.4870 0.5743 0.0246 -0.0380 -0.1082 345 GLN B N 6001 C CA . GLN B 346 ? 0.3296 0.4532 0.5403 0.0290 -0.0369 -0.1060 345 GLN B CA 6002 C C . GLN B 346 ? 0.3196 0.4608 0.5518 0.0270 -0.0305 -0.1165 345 GLN B C 6003 O O . GLN B 346 ? 0.2841 0.4369 0.5296 0.0188 -0.0227 -0.1225 345 GLN B O 6004 C CB . GLN B 346 ? 0.3234 0.4310 0.5134 0.0244 -0.0296 -0.0938 345 GLN B CB 6005 C CG . GLN B 346 ? 0.3046 0.4133 0.4940 0.0135 -0.0166 -0.0915 345 GLN B CG 6006 C CD . GLN B 346 ? 0.3002 0.3951 0.4716 0.0110 -0.0108 -0.0815 345 GLN B CD 6007 O OE1 . GLN B 346 ? 0.3092 0.3914 0.4645 0.0133 -0.0149 -0.0732 345 GLN B OE1 6008 N NE2 . GLN B 346 ? 0.3024 0.4000 0.4763 0.0058 -0.0009 -0.0827 345 GLN B NE2 6009 N N . GLU B 347 ? 0.3266 0.4688 0.5613 0.0341 -0.0334 -0.1190 346 GLU B N 6010 C CA . GLU B 347 ? 0.3563 0.5141 0.6101 0.0328 -0.0267 -0.1288 346 GLU B CA 6011 C C . GLU B 347 ? 0.3221 0.4756 0.5695 0.0234 -0.0121 -0.1241 346 GLU B C 6012 O O . GLU B 347 ? 0.3116 0.4777 0.5738 0.0171 -0.0023 -0.1317 346 GLU B O 6013 C CB . GLU B 347 ? 0.4310 0.5912 0.6899 0.0445 -0.0351 -0.1338 346 GLU B CB 6014 C CG . GLU B 347 ? 0.5297 0.6987 0.8007 0.0547 -0.0493 -0.1427 346 GLU B CG 6015 C CD . GLU B 347 ? 0.6117 0.7795 0.8841 0.0677 -0.0588 -0.1471 346 GLU B CD 6016 O OE1 . GLU B 347 ? 0.7057 0.8595 0.9625 0.0698 -0.0567 -0.1398 346 GLU B OE1 6017 O OE2 . GLU B 347 ? 0.6711 0.8518 0.9601 0.0763 -0.0688 -0.1583 346 GLU B OE2 6018 N N . HIS B 348 ? 0.2953 0.4309 0.5204 0.0226 -0.0105 -0.1121 347 HIS B N 6019 C CA A HIS B 348 ? 0.2897 0.4192 0.5059 0.0143 0.0019 -0.1072 347 HIS B CA 6020 C CA B HIS B 348 ? 0.2849 0.4145 0.5012 0.0143 0.0019 -0.1072 347 HIS B CA 6021 C C . HIS B 348 ? 0.2689 0.4008 0.4867 0.0036 0.0112 -0.1075 347 HIS B C 6022 O O . HIS B 348 ? 0.2536 0.3847 0.4703 0.0023 0.0073 -0.1062 347 HIS B O 6023 C CB A HIS B 348 ? 0.2948 0.4053 0.4872 0.0156 0.0005 -0.0947 347 HIS B CB 6024 C CB B HIS B 348 ? 0.2864 0.3971 0.4790 0.0158 0.0004 -0.0948 347 HIS B CB 6025 C CG A HIS B 348 ? 0.3159 0.4213 0.5037 0.0234 -0.0044 -0.0937 347 HIS B CG 6026 C CG B HIS B 348 ? 0.2957 0.4021 0.4848 0.0236 -0.0042 -0.0945 347 HIS B CG 6027 N ND1 A HIS B 348 ? 0.3300 0.4323 0.5163 0.0329 -0.0163 -0.0944 347 HIS B ND1 6028 N ND1 B HIS B 348 ? 0.3041 0.4123 0.4956 0.0224 0.0027 -0.0970 347 HIS B ND1 6029 C CD2 A HIS B 348 ? 0.3384 0.4393 0.5208 0.0231 0.0007 -0.0922 347 HIS B CD2 6030 C CD2 B HIS B 348 ? 0.3039 0.4031 0.4864 0.0326 -0.0150 -0.0926 347 HIS B CD2 6031 C CE1 A HIS B 348 ? 0.3492 0.4451 0.5295 0.0381 -0.0180 -0.0933 347 HIS B CE1 6032 C CE1 B HIS B 348 ? 0.3075 0.4103 0.4945 0.0304 -0.0036 -0.0964 347 HIS B CE1 6033 N NE2 A HIS B 348 ? 0.3539 0.4497 0.5326 0.0322 -0.0078 -0.0921 347 HIS B NE2 6034 N NE2 B HIS B 348 ? 0.3138 0.4104 0.4947 0.0367 -0.0144 -0.0937 347 HIS B NE2 6035 N N . GLN B 349 ? 0.2681 0.4008 0.4865 -0.0039 0.0237 -0.1091 348 GLN B N 6036 C CA . GLN B 349 ? 0.3008 0.4332 0.5187 -0.0147 0.0338 -0.1100 348 GLN B CA 6037 C C . GLN B 349 ? 0.2602 0.3759 0.4565 -0.0176 0.0336 -0.0985 348 GLN B C 6038 O O . GLN B 349 ? 0.2488 0.3517 0.4283 -0.0143 0.0311 -0.0893 348 GLN B O 6039 C CB . GLN B 349 ? 0.3320 0.4641 0.5497 -0.0222 0.0478 -0.1130 348 GLN B CB 6040 C CG . GLN B 349 ? 0.4086 0.5577 0.6481 -0.0214 0.0515 -0.1253 348 GLN B CG 6041 C CD . GLN B 349 ? 0.4712 0.6158 0.7055 -0.0298 0.0666 -0.1267 348 GLN B CD 6042 O OE1 . GLN B 349 ? 0.5389 0.6798 0.7695 -0.0400 0.0772 -0.1278 348 GLN B OE1 6043 N NE2 . GLN B 349 ? 0.5067 0.6487 0.7377 -0.0256 0.0677 -0.1261 348 GLN B NE2 6044 N N . VAL B 350 ? 0.2449 0.3611 0.4423 -0.0239 0.0366 -0.0997 349 VAL B N 6045 C CA . VAL B 350 ? 0.2502 0.3511 0.4282 -0.0278 0.0386 -0.0902 349 VAL B CA 6046 C C . VAL B 350 ? 0.2690 0.3667 0.4446 -0.0387 0.0521 -0.0930 349 VAL B C 6047 O O . VAL B 350 ? 0.2543 0.3625 0.4444 -0.0442 0.0560 -0.1018 349 VAL B O 6048 C CB . VAL B 350 ? 0.2540 0.3549 0.4321 -0.0254 0.0297 -0.0886 349 VAL B CB 6049 C CG1 . VAL B 350 ? 0.2502 0.3356 0.4088 -0.0294 0.0325 -0.0796 349 VAL B CG1 6050 C CG2 . VAL B 350 ? 0.2492 0.3509 0.4276 -0.0149 0.0168 -0.0863 349 VAL B CG2 6051 N N A LEU B 351 ? 0.2763 0.3590 0.4331 -0.0418 0.0590 -0.0862 350 LEU B N 6052 N N B LEU B 351 ? 0.2692 0.3519 0.4259 -0.0418 0.0590 -0.0862 350 LEU B N 6053 C CA A LEU B 351 ? 0.3045 0.3789 0.4531 -0.0519 0.0721 -0.0877 350 LEU B CA 6054 C CA B LEU B 351 ? 0.2919 0.3665 0.4406 -0.0519 0.0721 -0.0877 350 LEU B CA 6055 C C A LEU B 351 ? 0.3122 0.3700 0.4405 -0.0538 0.0718 -0.0790 350 LEU B C 6056 C C B LEU B 351 ? 0.3051 0.3629 0.4334 -0.0539 0.0718 -0.0790 350 LEU B C 6057 O O A LEU B 351 ? 0.3073 0.3547 0.4206 -0.0484 0.0662 -0.0700 350 LEU B O 6058 O O B LEU B 351 ? 0.3006 0.3480 0.4139 -0.0484 0.0663 -0.0700 350 LEU B O 6059 C CB A LEU B 351 ? 0.3256 0.3925 0.4648 -0.0538 0.0805 -0.0867 350 LEU B CB 6060 C CB B LEU B 351 ? 0.3041 0.3715 0.4439 -0.0536 0.0803 -0.0868 350 LEU B CB 6061 C CG A LEU B 351 ? 0.3420 0.4228 0.4981 -0.0514 0.0818 -0.0945 350 LEU B CG 6062 C CG B LEU B 351 ? 0.3096 0.3918 0.4673 -0.0507 0.0809 -0.0948 350 LEU B CG 6063 C CD1 A LEU B 351 ? 0.3438 0.4443 0.5257 -0.0548 0.0842 -0.1070 350 LEU B CD1 6064 C CD1 B LEU B 351 ? 0.3185 0.4019 0.4754 -0.0400 0.0694 -0.0899 350 LEU B CD1 6065 C CD2 A LEU B 351 ? 0.3506 0.4341 0.5077 -0.0404 0.0694 -0.0900 350 LEU B CD2 6066 C CD2 B LEU B 351 ? 0.3118 0.3877 0.4628 -0.0568 0.0938 -0.0974 350 LEU B CD2 6067 N N . LEU B 352 ? 0.3095 0.3650 0.4378 -0.0616 0.0777 -0.0822 351 LEU B N 6068 C CA . LEU B 352 ? 0.3326 0.3711 0.4408 -0.0637 0.0784 -0.0748 351 LEU B CA 6069 C C . LEU B 352 ? 0.3514 0.3726 0.4409 -0.0710 0.0907 -0.0732 351 LEU B C 6070 O O . LEU B 352 ? 0.3758 0.4000 0.4718 -0.0789 0.1012 -0.0808 351 LEU B O 6071 C CB . LEU B 352 ? 0.3537 0.3976 0.4706 -0.0671 0.0764 -0.0787 351 LEU B CB 6072 C CG . LEU B 352 ? 0.3761 0.4234 0.4947 -0.0587 0.0631 -0.0741 351 LEU B CG 6073 C CD1 . LEU B 352 ? 0.3834 0.4479 0.5210 -0.0516 0.0543 -0.0785 351 LEU B CD1 6074 C CD2 . LEU B 352 ? 0.4037 0.4503 0.5237 -0.0628 0.0621 -0.0761 351 LEU B CD2 6075 N N . GLN B 353 ? 0.3250 0.3278 0.3910 -0.0682 0.0894 -0.0640 352 GLN B N 6076 C CA . GLN B 353 ? 0.3391 0.3217 0.3830 -0.0740 0.0998 -0.0618 352 GLN B CA 6077 C C . GLN B 353 ? 0.3424 0.3062 0.3647 -0.0734 0.0982 -0.0547 352 GLN B C 6078 O O . GLN B 353 ? 0.3230 0.2805 0.3343 -0.0655 0.0901 -0.0470 352 GLN B O 6079 C CB . GLN B 353 ? 0.3486 0.3248 0.3823 -0.0701 0.1006 -0.0584 352 GLN B CB 6080 C CG . GLN B 353 ? 0.3848 0.3371 0.3920 -0.0752 0.1106 -0.0558 352 GLN B CG 6081 C CD . GLN B 353 ? 0.4071 0.3578 0.4174 -0.0867 0.1248 -0.0640 352 GLN B CD 6082 O OE1 . GLN B 353 ? 0.4338 0.3976 0.4600 -0.0893 0.1297 -0.0710 352 GLN B OE1 6083 N NE2 . GLN B 353 ? 0.4291 0.3643 0.4251 -0.0937 0.1318 -0.0639 352 GLN B NE2 6084 N N . GLU B 354 ? 0.3498 0.3048 0.3661 -0.0820 0.1064 -0.0578 353 GLU B N 6085 C CA . GLU B 354 ? 0.3778 0.3118 0.3709 -0.0823 0.1068 -0.0518 353 GLU B CA 6086 C C . GLU B 354 ? 0.3879 0.2979 0.3525 -0.0814 0.1114 -0.0463 353 GLU B C 6087 O O . GLU B 354 ? 0.3968 0.3012 0.3563 -0.0866 0.1208 -0.0495 353 GLU B O 6088 C CB . GLU B 354 ? 0.4040 0.3340 0.3981 -0.0928 0.1153 -0.0576 353 GLU B CB 6089 C CG . GLU B 354 ? 0.4372 0.3477 0.4102 -0.0921 0.1137 -0.0518 353 GLU B CG 6090 C CD . GLU B 354 ? 0.4806 0.3825 0.4499 -0.1036 0.1238 -0.0573 353 GLU B CD 6091 O OE1 . GLU B 354 ? 0.5123 0.4265 0.4988 -0.1125 0.1318 -0.0664 353 GLU B OE1 6092 O OE2 . GLU B 354 ? 0.4977 0.3800 0.4466 -0.1039 0.1240 -0.0529 353 GLU B OE2 6093 N N . LEU B 355 ? 0.3782 0.2742 0.3243 -0.0744 0.1046 -0.0385 354 LEU B N 6094 C CA . LEU B 355 ? 0.4071 0.2786 0.3238 -0.0717 0.1066 -0.0330 354 LEU B CA 6095 C C . LEU B 355 ? 0.4305 0.2799 0.3249 -0.0729 0.1082 -0.0298 354 LEU B C 6096 O O . LEU B 355 ? 0.4184 0.2643 0.3060 -0.0647 0.0990 -0.0243 354 LEU B O 6097 C CB . LEU B 355 ? 0.4021 0.2779 0.3175 -0.0602 0.0953 -0.0272 354 LEU B CB 6098 C CG . LEU B 355 ? 0.3956 0.2923 0.3321 -0.0578 0.0921 -0.0297 354 LEU B CG 6099 C CD1 . LEU B 355 ? 0.3960 0.2973 0.3320 -0.0473 0.0806 -0.0242 354 LEU B CD1 6100 C CD2 . LEU B 355 ? 0.4108 0.3014 0.3418 -0.0634 0.1020 -0.0333 354 LEU B CD2 6101 N N . PRO B 356 ? 0.4608 0.2957 0.3444 -0.0835 0.1203 -0.0336 355 PRO B N 6102 C CA . PRO B 356 ? 0.4915 0.3047 0.3539 -0.0852 0.1221 -0.0310 355 PRO B CA 6103 C C . PRO B 356 ? 0.5082 0.2946 0.3380 -0.0774 0.1188 -0.0238 355 PRO B C 6104 O O . PRO B 356 ? 0.5189 0.2918 0.3327 -0.0776 0.1232 -0.0230 355 PRO B O 6105 C CB . PRO B 356 ? 0.5153 0.3189 0.3737 -0.0996 0.1373 -0.0377 355 PRO B CB 6106 C CG . PRO B 356 ? 0.5088 0.3312 0.3884 -0.1051 0.1433 -0.0444 355 PRO B CG 6107 C CD . PRO B 356 ? 0.4820 0.3188 0.3715 -0.0945 0.1333 -0.0409 355 PRO B CD 6108 N N . GLY B 357 ? 0.5147 0.2946 0.3358 -0.0699 0.1103 -0.0190 356 GLY B N 6109 C CA . GLY B 357 ? 0.5459 0.3021 0.3379 -0.0607 0.1050 -0.0128 356 GLY B CA 6110 C C . GLY B 357 ? 0.5340 0.3020 0.3321 -0.0491 0.0938 -0.0093 356 GLY B C 6111 O O . GLY B 357 ? 0.5707 0.3209 0.3460 -0.0412 0.0890 -0.0052 356 GLY B O 6112 N N . SER B 358 ? 0.4952 0.2923 0.3229 -0.0480 0.0892 -0.0112 357 SER B N 6113 C CA . SER B 358 ? 0.4832 0.2916 0.3173 -0.0384 0.0796 -0.0085 357 SER B CA 6114 C C . SER B 358 ? 0.4553 0.2773 0.3010 -0.0299 0.0683 -0.0058 357 SER B C 6115 O O . SER B 358 ? 0.4262 0.2675 0.2942 -0.0317 0.0663 -0.0075 357 SER B O 6116 C CB . SER B 358 ? 0.4796 0.3085 0.3357 -0.0421 0.0819 -0.0122 357 SER B CB 6117 O OG . SER B 358 ? 0.5025 0.3393 0.3618 -0.0340 0.0738 -0.0098 357 SER B OG 6118 N N . GLU B 359 ? 0.4554 0.2669 0.2855 -0.0203 0.0609 -0.0019 358 GLU B N 6119 C CA . GLU B 359 ? 0.4485 0.2715 0.2880 -0.0121 0.0510 0.0001 358 GLU B CA 6120 C C . GLU B 359 ? 0.4114 0.2595 0.2742 -0.0084 0.0444 -0.0003 358 GLU B C 6121 O O . GLU B 359 ? 0.4047 0.2568 0.2700 -0.0087 0.0449 -0.0011 358 GLU B O 6122 C CB . GLU B 359 ? 0.4908 0.2940 0.3059 -0.0029 0.0454 0.0032 358 GLU B CB 6123 C CG . GLU B 359 ? 0.5107 0.3234 0.3332 0.0056 0.0363 0.0047 358 GLU B CG 6124 C CD . GLU B 359 ? 0.5241 0.3554 0.3609 0.0129 0.0277 0.0047 358 GLU B CD 6125 O OE1 . GLU B 359 ? 0.5481 0.3771 0.3797 0.0147 0.0266 0.0045 358 GLU B OE1 6126 O OE2 . GLU B 359 ? 0.5172 0.3649 0.3700 0.0165 0.0223 0.0046 358 GLU B OE2 6127 N N . HIS B 360 ? 0.3802 0.2433 0.2582 -0.0051 0.0386 0.0001 359 HIS B N 6128 C CA . HIS B 360 ? 0.3587 0.2444 0.2588 -0.0032 0.0335 -0.0004 359 HIS B CA 6129 C C . HIS B 360 ? 0.3623 0.2520 0.2620 0.0018 0.0291 0.0000 359 HIS B C 6130 O O . HIS B 360 ? 0.3544 0.2570 0.2679 -0.0004 0.0293 -0.0014 359 HIS B O 6131 C CB . HIS B 360 ? 0.3473 0.2422 0.2560 0.0012 0.0277 0.0005 359 HIS B CB 6132 C CG . HIS B 360 ? 0.3199 0.2358 0.2500 0.0017 0.0238 -0.0002 359 HIS B CG 6133 N ND1 . HIS B 360 ? 0.3187 0.2457 0.2640 -0.0040 0.0264 -0.0023 359 HIS B ND1 6134 C CD2 . HIS B 360 ? 0.3154 0.2423 0.2533 0.0072 0.0176 0.0003 359 HIS B CD2 6135 C CE1 . HIS B 360 ? 0.2966 0.2384 0.2560 -0.0018 0.0219 -0.0023 359 HIS B CE1 6136 N NE2 . HIS B 360 ? 0.3054 0.2474 0.2607 0.0043 0.0171 -0.0007 359 HIS B NE2 6137 N N . ILE B 361 ? 0.3847 0.2639 0.2693 0.0091 0.0242 0.0015 360 ILE B N 6138 C CA . ILE B 361 ? 0.4287 0.3115 0.3124 0.0143 0.0191 0.0013 360 ILE B CA 6139 C C . ILE B 361 ? 0.4425 0.3091 0.3089 0.0122 0.0236 0.0012 360 ILE B C 6140 O O . ILE B 361 ? 0.4367 0.3096 0.3083 0.0116 0.0230 0.0001 360 ILE B O 6141 C CB . ILE B 361 ? 0.4801 0.3610 0.3572 0.0241 0.0107 0.0020 360 ILE B CB 6142 C CG1 . ILE B 361 ? 0.5016 0.3999 0.3968 0.0258 0.0070 0.0016 360 ILE B CG1 6143 C CG2 . ILE B 361 ? 0.5109 0.3948 0.3863 0.0291 0.0052 0.0009 360 ILE B CG2 6144 C CD1 . ILE B 361 ? 0.5500 0.4472 0.4401 0.0351 -0.0001 0.0013 360 ILE B CD1 6145 N N . GLU B 362 ? 0.4570 0.3015 0.3021 0.0105 0.0285 0.0021 361 GLU B N 6146 C CA . GLU B 362 ? 0.5060 0.3313 0.3306 0.0083 0.0335 0.0020 361 GLU B CA 6147 C C . GLU B 362 ? 0.4778 0.3113 0.3142 -0.0007 0.0416 -0.0003 361 GLU B C 6148 O O . GLU B 362 ? 0.4688 0.2936 0.2947 -0.0016 0.0443 -0.0009 361 GLU B O 6149 C CB . GLU B 362 ? 0.5728 0.3707 0.3707 0.0070 0.0384 0.0033 361 GLU B CB 6150 C CG . GLU B 362 ? 0.6667 0.4522 0.4478 0.0180 0.0296 0.0053 361 GLU B CG 6151 C CD . GLU B 362 ? 0.7616 0.5182 0.5149 0.0174 0.0340 0.0068 361 GLU B CD 6152 O OE1 . GLU B 362 ? 0.8392 0.5831 0.5837 0.0076 0.0448 0.0062 361 GLU B OE1 6153 O OE2 . GLU B 362 ? 0.8846 0.6308 0.6244 0.0268 0.0266 0.0081 361 GLU B OE2 6154 N N . MET B 363 ? 0.4393 0.2901 0.2978 -0.0064 0.0446 -0.0020 362 MET B N 6155 C CA . MET B 363 ? 0.4344 0.2947 0.3062 -0.0140 0.0516 -0.0051 362 MET B CA 6156 C C . MET B 363 ? 0.4117 0.2821 0.2909 -0.0111 0.0479 -0.0057 362 MET B C 6157 O O . MET B 363 ? 0.3918 0.2626 0.2731 -0.0161 0.0541 -0.0081 362 MET B O 6158 C CB . MET B 363 ? 0.4439 0.3221 0.3390 -0.0191 0.0535 -0.0075 362 MET B CB 6159 C CG . MET B 363 ? 0.4548 0.3548 0.3717 -0.0151 0.0457 -0.0072 362 MET B CG 6160 S SD . MET B 363 ? 0.4887 0.4066 0.4300 -0.0216 0.0487 -0.0110 362 MET B SD 6161 C CE . MET B 363 ? 0.4963 0.4024 0.4283 -0.0252 0.0525 -0.0108 362 MET B CE 6162 N N . LEU B 364 ? 0.3975 0.2759 0.2808 -0.0035 0.0384 -0.0040 363 LEU B N 6163 C CA . LEU B 364 ? 0.4174 0.3052 0.3076 -0.0009 0.0343 -0.0047 363 LEU B CA 6164 C C . LEU B 364 ? 0.4393 0.3104 0.3087 0.0009 0.0351 -0.0046 363 LEU B C 6165 O O . LEU B 364 ? 0.4437 0.3209 0.3182 0.0010 0.0342 -0.0059 363 LEU B O 6166 C CB . LEU B 364 ? 0.4295 0.3305 0.3300 0.0059 0.0244 -0.0038 363 LEU B CB 6167 C CG . LEU B 364 ? 0.4310 0.3521 0.3548 0.0044 0.0225 -0.0043 363 LEU B CG 6168 C CD1 . LEU B 364 ? 0.4575 0.3888 0.3878 0.0105 0.0140 -0.0040 363 LEU B CD1 6169 C CD2 . LEU B 364 ? 0.4158 0.3475 0.3540 -0.0005 0.0263 -0.0065 363 LEU B CD2 6170 N N . ALA B 365 ? 0.4364 0.2853 0.2814 0.0027 0.0366 -0.0031 364 ALA B N 6171 C CA . ALA B 365 ? 0.4889 0.3174 0.3094 0.0049 0.0372 -0.0027 364 ALA B CA 6172 C C . ALA B 365 ? 0.5048 0.3121 0.3065 -0.0024 0.0489 -0.0032 364 ALA B C 6173 O O . ALA B 365 ? 0.5476 0.3326 0.3238 -0.0012 0.0508 -0.0026 364 ALA B O 6174 C CB . ALA B 365 ? 0.4968 0.3140 0.3003 0.0150 0.0274 -0.0009 364 ALA B CB 6175 N N . ASN B 366 ? 0.4853 0.2997 0.2999 -0.0104 0.0569 -0.0048 365 ASN B N 6176 C CA . ASN B 366 ? 0.5024 0.2980 0.3013 -0.0188 0.0690 -0.0060 365 ASN B CA 6177 C C . ASN B 366 ? 0.4998 0.2977 0.3030 -0.0260 0.0782 -0.0096 365 ASN B C 6178 O O . ASN B 366 ? 0.4573 0.2784 0.2863 -0.0278 0.0778 -0.0121 365 ASN B O 6179 C CB . ASN B 366 ? 0.5096 0.3134 0.3220 -0.0239 0.0725 -0.0070 365 ASN B CB 6180 C CG . ASN B 366 ? 0.5576 0.3443 0.3569 -0.0340 0.0856 -0.0092 365 ASN B CG 6181 O OD1 . ASN B 366 ? 0.5639 0.3509 0.3660 -0.0415 0.0952 -0.0128 365 ASN B OD1 6182 N ND2 . ASN B 366 ? 0.5569 0.3286 0.3422 -0.0344 0.0867 -0.0075 365 ASN B ND2 6183 N N . ALA B 367 ? 0.5142 0.2866 0.2907 -0.0298 0.0866 -0.0099 366 ALA B N 6184 C CA . ALA B 367 ? 0.5307 0.3013 0.3066 -0.0362 0.0961 -0.0134 366 ALA B CA 6185 C C . ALA B 367 ? 0.5010 0.2908 0.3030 -0.0460 0.1057 -0.0188 366 ALA B C 6186 O O . ALA B 367 ? 0.4737 0.2764 0.2900 -0.0485 0.1090 -0.0222 366 ALA B O 6187 C CB . ALA B 367 ? 0.5806 0.3168 0.3196 -0.0392 0.1044 -0.0128 366 ALA B CB 6188 N N . THR B 368 ? 0.4958 0.2882 0.3048 -0.0509 0.1095 -0.0199 367 THR B N 6189 C CA A THR B 368 ? 0.4815 0.2946 0.3179 -0.0594 0.1169 -0.0258 367 THR B CA 6190 C CA B THR B 368 ? 0.4798 0.2927 0.3159 -0.0593 0.1169 -0.0258 367 THR B CA 6191 C C . THR B 368 ? 0.4312 0.2752 0.2998 -0.0544 0.1074 -0.0267 367 THR B C 6192 O O . THR B 368 ? 0.4025 0.2639 0.2921 -0.0581 0.1113 -0.0318 367 THR B O 6193 C CB A THR B 368 ? 0.4974 0.3052 0.3329 -0.0663 0.1230 -0.0274 367 THR B CB 6194 C CB B THR B 368 ? 0.4940 0.3004 0.3277 -0.0656 0.1224 -0.0269 367 THR B CB 6195 O OG1 A THR B 368 ? 0.4967 0.3060 0.3320 -0.0592 0.1123 -0.0226 367 THR B OG1 6196 O OG1 B THR B 368 ? 0.5336 0.3083 0.3344 -0.0706 0.1320 -0.0261 367 THR B OG1 6197 C CG2 A THR B 368 ? 0.5367 0.3129 0.3403 -0.0733 0.1351 -0.0276 367 THR B CG2 6198 C CG2 B THR B 368 ? 0.4799 0.3081 0.3423 -0.0744 0.1297 -0.0341 367 THR B CG2 6199 N N . THR B 369 ? 0.4189 0.2688 0.2904 -0.0459 0.0952 -0.0221 368 THR B N 6200 C CA . THR B 369 ? 0.3901 0.2654 0.2878 -0.0411 0.0862 -0.0223 368 THR B CA 6201 C C . THR B 369 ? 0.3777 0.2585 0.2790 -0.0388 0.0852 -0.0234 368 THR B C 6202 O O . THR B 369 ? 0.3453 0.2453 0.2689 -0.0394 0.0845 -0.0267 368 THR B O 6203 C CB . THR B 369 ? 0.3842 0.2621 0.2809 -0.0324 0.0741 -0.0172 368 THR B CB 6204 O OG1 . THR B 369 ? 0.3965 0.2672 0.2872 -0.0336 0.0746 -0.0158 368 THR B OG1 6205 C CG2 . THR B 369 ? 0.3661 0.2682 0.2882 -0.0287 0.0663 -0.0177 368 THR B CG2 6206 N N . LEU B 370 ? 0.3900 0.2531 0.2685 -0.0354 0.0841 -0.0206 369 LEU B N 6207 C CA . LEU B 370 ? 0.3884 0.2548 0.2676 -0.0326 0.0819 -0.0212 369 LEU B CA 6208 C C . LEU B 370 ? 0.4020 0.2695 0.2859 -0.0400 0.0935 -0.0266 369 LEU B C 6209 O O . LEU B 370 ? 0.3821 0.2630 0.2804 -0.0390 0.0924 -0.0291 369 LEU B O 6210 C CB . LEU B 370 ? 0.4254 0.2716 0.2777 -0.0267 0.0771 -0.0174 369 LEU B CB 6211 C CG . LEU B 370 ? 0.4330 0.2816 0.2839 -0.0184 0.0648 -0.0132 369 LEU B CG 6212 C CD1 . LEU B 370 ? 0.4778 0.3047 0.3005 -0.0122 0.0599 -0.0104 369 LEU B CD1 6213 C CD2 . LEU B 370 ? 0.4182 0.2901 0.2928 -0.0144 0.0563 -0.0134 369 LEU B CD2 6214 N N . ALA B 371 ? 0.4068 0.2603 0.2789 -0.0477 0.1051 -0.0290 370 ALA B N 6215 C CA . ALA B 371 ? 0.4204 0.2767 0.2994 -0.0559 0.1175 -0.0354 370 ALA B CA 6216 C C . ALA B 371 ? 0.3982 0.2827 0.3114 -0.0577 0.1172 -0.0407 370 ALA B C 6217 O O . ALA B 371 ? 0.3943 0.2895 0.3206 -0.0598 0.1218 -0.0458 370 ALA B O 6218 C CB . ALA B 371 ? 0.4505 0.2860 0.3103 -0.0650 0.1310 -0.0375 370 ALA B CB 6219 N N . TYR B 372 ? 0.3803 0.2760 0.3070 -0.0567 0.1118 -0.0398 371 TYR B N 6220 C CA . TYR B 372 ? 0.3583 0.2796 0.3160 -0.0572 0.1096 -0.0447 371 TYR B CA 6221 C C . TYR B 372 ? 0.3381 0.2737 0.3088 -0.0495 0.1000 -0.0436 371 TYR B C 6222 O O . TYR B 372 ? 0.3223 0.2729 0.3115 -0.0500 0.1015 -0.0489 371 TYR B O 6223 C CB . TYR B 372 ? 0.3488 0.2765 0.3149 -0.0570 0.1046 -0.0434 371 TYR B CB 6224 C CG . TYR B 372 ? 0.3385 0.2901 0.3342 -0.0582 0.1032 -0.0494 371 TYR B CG 6225 C CD1 . TYR B 372 ? 0.3194 0.2876 0.3320 -0.0510 0.0928 -0.0487 371 TYR B CD1 6226 C CD2 . TYR B 372 ? 0.3609 0.3176 0.3669 -0.0665 0.1120 -0.0562 371 TYR B CD2 6227 C CE1 . TYR B 372 ? 0.3126 0.3007 0.3501 -0.0511 0.0905 -0.0545 371 TYR B CE1 6228 C CE2 . TYR B 372 ? 0.3478 0.3270 0.3815 -0.0667 0.1094 -0.0626 371 TYR B CE2 6229 C CZ . TYR B 372 ? 0.3260 0.3202 0.3746 -0.0584 0.0982 -0.0615 371 TYR B CZ 6230 O OH . TYR B 372 ? 0.3129 0.3276 0.3868 -0.0576 0.0947 -0.0680 371 TYR B OH 6231 N N . LEU B 373 ? 0.3196 0.2501 0.2803 -0.0426 0.0902 -0.0372 372 LEU B N 6232 C CA . LEU B 373 ? 0.3193 0.2605 0.2895 -0.0362 0.0817 -0.0359 372 LEU B CA 6233 C C . LEU B 373 ? 0.3262 0.2646 0.2930 -0.0370 0.0866 -0.0388 372 LEU B C 6234 O O . LEU B 373 ? 0.3250 0.2768 0.3075 -0.0347 0.0842 -0.0417 372 LEU B O 6235 C CB . LEU B 373 ? 0.3156 0.2504 0.2740 -0.0297 0.0717 -0.0293 372 LEU B CB 6236 C CG . LEU B 373 ? 0.3122 0.2567 0.2787 -0.0239 0.0630 -0.0279 372 LEU B CG 6237 C CD1 . LEU B 373 ? 0.2918 0.2547 0.2812 -0.0226 0.0588 -0.0299 372 LEU B CD1 6238 C CD2 . LEU B 373 ? 0.3159 0.2534 0.2698 -0.0185 0.0546 -0.0226 372 LEU B CD2 6239 N N . LYS B 374 ? 0.3522 0.2719 0.2972 -0.0399 0.0935 -0.0382 373 LYS B N 6240 C CA . LYS B 374 ? 0.3809 0.2955 0.3200 -0.0413 0.0994 -0.0412 373 LYS B CA 6241 C C . LYS B 374 ? 0.3798 0.3095 0.3402 -0.0458 0.1073 -0.0490 373 LYS B C 6242 O O . LYS B 374 ? 0.3708 0.3074 0.3388 -0.0438 0.1071 -0.0518 373 LYS B O 6243 C CB . LYS B 374 ? 0.4276 0.3168 0.3374 -0.0448 0.1073 -0.0398 373 LYS B CB 6244 C CG . LYS B 374 ? 0.4483 0.3290 0.3473 -0.0447 0.1112 -0.0415 373 LYS B CG 6245 C CD . LYS B 374 ? 0.5002 0.3532 0.3674 -0.0481 0.1191 -0.0402 373 LYS B CD 6246 C CE . LYS B 374 ? 0.5389 0.3827 0.3938 -0.0468 0.1211 -0.0412 373 LYS B CE 6247 N NZ . LYS B 374 ? 0.5911 0.4047 0.4114 -0.0496 0.1281 -0.0396 373 LYS B NZ 6248 N N . ARG B 375 ? 0.3828 0.3171 0.3522 -0.0521 0.1145 -0.0531 374 ARG B N 6249 C CA A ARG B 375 ? 0.3914 0.3423 0.3835 -0.0564 0.1218 -0.0619 374 ARG B CA 6250 C CA B ARG B 375 ? 0.3981 0.3492 0.3904 -0.0564 0.1218 -0.0620 374 ARG B CA 6251 C C . ARG B 375 ? 0.3592 0.3324 0.3768 -0.0500 0.1117 -0.0637 374 ARG B C 6252 O O . ARG B 375 ? 0.3579 0.3426 0.3900 -0.0491 0.1139 -0.0696 374 ARG B O 6253 C CB A ARG B 375 ? 0.4219 0.3733 0.4184 -0.0647 0.1306 -0.0662 374 ARG B CB 6254 C CB B ARG B 375 ? 0.4426 0.3947 0.4399 -0.0646 0.1304 -0.0663 374 ARG B CB 6255 C CG A ARG B 375 ? 0.4493 0.4203 0.4721 -0.0696 0.1381 -0.0768 374 ARG B CG 6256 C CG B ARG B 375 ? 0.4856 0.4594 0.5116 -0.0687 0.1360 -0.0766 374 ARG B CG 6257 C CD A ARG B 375 ? 0.4833 0.4511 0.5036 -0.0738 0.1496 -0.0827 374 ARG B CD 6258 C CD B ARG B 375 ? 0.5317 0.5089 0.5648 -0.0756 0.1407 -0.0799 374 ARG B CD 6259 N NE A ARG B 375 ? 0.4960 0.4856 0.5446 -0.0774 0.1558 -0.0939 374 ARG B NE 6260 N NE B ARG B 375 ? 0.5442 0.5463 0.6073 -0.0734 0.1346 -0.0856 374 ARG B NE 6261 C CZ A ARG B 375 ? 0.4920 0.5029 0.5650 -0.0706 0.1478 -0.0979 374 ARG B CZ 6262 C CZ B ARG B 375 ? 0.5231 0.5331 0.5935 -0.0661 0.1212 -0.0811 374 ARG B CZ 6263 N NH1 A ARG B 375 ? 0.5095 0.5401 0.6081 -0.0735 0.1533 -0.1090 374 ARG B NH1 6264 N NH1 B ARG B 375 ? 0.5111 0.5415 0.6066 -0.0642 0.1160 -0.0867 374 ARG B NH1 6265 N NH2 A ARG B 375 ? 0.4909 0.5030 0.5624 -0.0609 0.1343 -0.0913 374 ARG B NH2 6266 N NH2 B ARG B 375 ? 0.5337 0.5310 0.5862 -0.0607 0.1131 -0.0713 374 ARG B NH2 6267 N N . VAL B 376 ? 0.3250 0.3029 0.3463 -0.0451 0.1008 -0.0586 375 VAL B N 6268 C CA . VAL B 376 ? 0.3034 0.2981 0.3440 -0.0386 0.0906 -0.0593 375 VAL B CA 6269 C C . VAL B 376 ? 0.3041 0.2978 0.3415 -0.0333 0.0865 -0.0579 375 VAL B C 6270 O O . VAL B 376 ? 0.2959 0.3018 0.3490 -0.0301 0.0843 -0.0623 375 VAL B O 6271 C CB . VAL B 376 ? 0.3032 0.2995 0.3439 -0.0347 0.0804 -0.0534 375 VAL B CB 6272 C CG1 . VAL B 376 ? 0.2917 0.3011 0.3474 -0.0279 0.0701 -0.0533 375 VAL B CG1 6273 C CG2 . VAL B 376 ? 0.3028 0.3020 0.3492 -0.0395 0.0837 -0.0555 375 VAL B CG2 6274 N N . LEU B 377 ? 0.3196 0.2981 0.3363 -0.0320 0.0850 -0.0521 376 LEU B N 6275 C CA . LEU B 377 ? 0.3377 0.3143 0.3501 -0.0271 0.0799 -0.0503 376 LEU B CA 6276 C C . LEU B 377 ? 0.3824 0.3557 0.3922 -0.0291 0.0882 -0.0552 376 LEU B C 6277 O O . LEU B 377 ? 0.3571 0.3370 0.3752 -0.0255 0.0854 -0.0575 376 LEU B O 6278 C CB . LEU B 377 ? 0.3370 0.3000 0.3294 -0.0245 0.0742 -0.0431 376 LEU B CB 6279 C CG . LEU B 377 ? 0.3265 0.2929 0.3210 -0.0216 0.0654 -0.0382 376 LEU B CG 6280 C CD1 . LEU B 377 ? 0.3373 0.2917 0.3135 -0.0188 0.0600 -0.0326 376 LEU B CD1 6281 C CD2 . LEU B 377 ? 0.3209 0.3018 0.3332 -0.0176 0.0578 -0.0387 376 LEU B CD2 6282 N N . LEU B 378 ? 0.4171 0.3781 0.4132 -0.0350 0.0986 -0.0566 377 LEU B N 6283 C CA . LEU B 378 ? 0.4853 0.4381 0.4723 -0.0372 0.1069 -0.0601 377 LEU B CA 6284 C C . LEU B 378 ? 0.5274 0.4892 0.5288 -0.0430 0.1187 -0.0690 377 LEU B C 6285 O O . LEU B 378 ? 0.5304 0.4887 0.5287 -0.0448 0.1264 -0.0734 377 LEU B O 6286 C CB . LEU B 378 ? 0.5281 0.4571 0.4851 -0.0397 0.1109 -0.0557 377 LEU B CB 6287 C CG . LEU B 378 ? 0.5674 0.4841 0.5057 -0.0341 0.1018 -0.0493 377 LEU B CG 6288 C CD1 . LEU B 378 ? 0.5757 0.5035 0.5246 -0.0279 0.0884 -0.0451 377 LEU B CD1 6289 C CD2 . LEU B 378 ? 0.6013 0.4954 0.5117 -0.0360 0.1042 -0.0452 377 LEU B CD2 6290 N N . GLY B 379 ? 0.5389 0.5122 0.5561 -0.0460 0.1205 -0.0723 378 GLY B N 6291 C CA . GLY B 379 ? 0.6220 0.6089 0.6587 -0.0509 0.1303 -0.0824 378 GLY B CA 6292 C C . GLY B 379 ? 0.7293 0.7036 0.7533 -0.0609 0.1452 -0.0855 378 GLY B C 6293 O O . GLY B 379 ? 0.7335 0.6871 0.7321 -0.0633 0.1469 -0.0792 378 GLY B O 6294 N N . PRO B 380 ? 0.8585 0.8448 0.8999 -0.0668 0.1563 -0.0959 379 PRO B N 6295 C CA . PRO B 380 ? 0.9347 0.9114 0.9677 -0.0782 0.1722 -0.1006 379 PRO B CA 6296 C C . PRO B 380 ? 0.9742 0.9263 0.9782 -0.0826 0.1828 -0.0988 379 PRO B C 6297 O O . PRO B 380 ? 1.0435 0.9910 1.0401 -0.0772 0.1795 -0.0968 379 PRO B O 6298 C CB . PRO B 380 ? 0.9220 0.9230 0.9865 -0.0818 0.1796 -0.1135 379 PRO B CB 6299 C CG . PRO B 380 ? 0.8958 0.9119 0.9766 -0.0721 0.1706 -0.1155 379 PRO B CG 6300 C CD . PRO B 380 ? 0.8575 0.8673 0.9276 -0.0628 0.1544 -0.1044 379 PRO B CD 6301 N N . HIS C 5 ? 0.4685 0.4929 0.5221 0.0107 -0.0649 -0.0435 4 HIS C N 6302 C CA . HIS C 5 ? 0.4205 0.4365 0.4608 0.0103 -0.0592 -0.0383 4 HIS C CA 6303 C C . HIS C 5 ? 0.3448 0.3648 0.3913 0.0075 -0.0503 -0.0368 4 HIS C C 6304 O O . HIS C 5 ? 0.3294 0.3463 0.3719 0.0051 -0.0460 -0.0364 4 HIS C O 6305 C CB . HIS C 5 ? 0.4797 0.4863 0.5058 0.0094 -0.0609 -0.0382 4 HIS C CB 6306 C CG . HIS C 5 ? 0.4846 0.4830 0.4972 0.0089 -0.0558 -0.0342 4 HIS C CG 6307 N ND1 . HIS C 5 ? 0.4986 0.4874 0.4963 0.0103 -0.0587 -0.0322 4 HIS C ND1 6308 C CD2 . HIS C 5 ? 0.4938 0.4921 0.5055 0.0070 -0.0479 -0.0323 4 HIS C CD2 6309 C CE1 . HIS C 5 ? 0.5110 0.4953 0.5002 0.0087 -0.0521 -0.0296 4 HIS C CE1 6310 N NE2 . HIS C 5 ? 0.4931 0.4835 0.4912 0.0071 -0.0459 -0.0298 4 HIS C NE2 6311 N N . PRO C 6 ? 0.2760 0.3027 0.3323 0.0080 -0.0477 -0.0362 5 PRO C N 6312 C CA . PRO C 6 ? 0.2441 0.2734 0.3052 0.0053 -0.0400 -0.0351 5 PRO C CA 6313 C C . PRO C 6 ? 0.2254 0.2489 0.2770 0.0059 -0.0352 -0.0306 5 PRO C C 6314 O O . PRO C 6 ? 0.2166 0.2365 0.2611 0.0081 -0.0368 -0.0283 5 PRO C O 6315 C CB . PRO C 6 ? 0.2489 0.2865 0.3223 0.0058 -0.0393 -0.0362 5 PRO C CB 6316 C CG . PRO C 6 ? 0.2689 0.3056 0.3399 0.0099 -0.0450 -0.0356 5 PRO C CG 6317 C CD . PRO C 6 ? 0.2798 0.3112 0.3429 0.0111 -0.0517 -0.0370 5 PRO C CD 6318 N N . PRO C 7 ? 0.2009 0.2236 0.2528 0.0039 -0.0295 -0.0297 6 PRO C N 6319 C CA . PRO C 7 ? 0.1985 0.2175 0.2439 0.0047 -0.0251 -0.0262 6 PRO C CA 6320 C C . PRO C 7 ? 0.1929 0.2150 0.2414 0.0062 -0.0238 -0.0238 6 PRO C C 6321 O O . PRO C 7 ? 0.1746 0.2019 0.2317 0.0061 -0.0242 -0.0248 6 PRO C O 6322 C CB . PRO C 7 ? 0.2048 0.2224 0.2515 0.0028 -0.0205 -0.0264 6 PRO C CB 6323 C CG . PRO C 7 ? 0.2130 0.2330 0.2664 0.0002 -0.0215 -0.0297 6 PRO C CG 6324 C CD . PRO C 7 ? 0.2038 0.2285 0.2622 0.0007 -0.0269 -0.0321 6 PRO C CD 6325 N N . VAL C 8 ? 0.1877 0.2067 0.2293 0.0075 -0.0221 -0.0212 7 VAL C N 6326 C CA . VAL C 8 ? 0.1872 0.2078 0.2298 0.0088 -0.0215 -0.0190 7 VAL C CA 6327 C C . VAL C 8 ? 0.1800 0.2000 0.2207 0.0087 -0.0165 -0.0169 7 VAL C C 6328 O O . VAL C 8 ? 0.1662 0.1831 0.2011 0.0085 -0.0147 -0.0168 7 VAL C O 6329 C CB . VAL C 8 ? 0.2015 0.2180 0.2363 0.0103 -0.0252 -0.0181 7 VAL C CB 6330 C CG1 . VAL C 8 ? 0.2047 0.2213 0.2386 0.0112 -0.0238 -0.0156 7 VAL C CG1 6331 C CG2 . VAL C 8 ? 0.2163 0.2333 0.2532 0.0114 -0.0315 -0.0203 7 VAL C CG2 6332 N N . VAL C 9 ? 0.1743 0.1974 0.2201 0.0090 -0.0146 -0.0157 8 VAL C N 6333 C CA . VAL C 9 ? 0.1687 0.1917 0.2132 0.0094 -0.0110 -0.0137 8 VAL C CA 6334 C C . VAL C 9 ? 0.1714 0.1952 0.2152 0.0103 -0.0114 -0.0120 8 VAL C C 6335 O O . VAL C 9 ? 0.1760 0.2021 0.2243 0.0108 -0.0129 -0.0121 8 VAL C O 6336 C CB . VAL C 9 ? 0.1681 0.1918 0.2170 0.0088 -0.0083 -0.0137 8 VAL C CB 6337 C CG1 . VAL C 9 ? 0.1693 0.1929 0.2171 0.0098 -0.0058 -0.0119 8 VAL C CG1 6338 C CG2 . VAL C 9 ? 0.1723 0.1932 0.2201 0.0078 -0.0077 -0.0153 8 VAL C CG2 6339 N N . LEU C 10 ? 0.1685 0.1908 0.2073 0.0104 -0.0097 -0.0108 9 LEU C N 6340 C CA . LEU C 10 ? 0.1726 0.1945 0.2092 0.0106 -0.0097 -0.0092 9 LEU C CA 6341 C C . LEU C 10 ? 0.1687 0.1932 0.2084 0.0108 -0.0067 -0.0081 9 LEU C C 6342 O O . LEU C 10 ? 0.1626 0.1880 0.2025 0.0108 -0.0044 -0.0086 9 LEU C O 6343 C CB . LEU C 10 ? 0.1815 0.1994 0.2095 0.0096 -0.0094 -0.0089 9 LEU C CB 6344 C CG . LEU C 10 ? 0.2033 0.2166 0.2252 0.0093 -0.0126 -0.0099 9 LEU C CG 6345 C CD1 . LEU C 10 ? 0.2153 0.2235 0.2270 0.0074 -0.0109 -0.0097 9 LEU C CD1 6346 C CD2 . LEU C 10 ? 0.2075 0.2191 0.2298 0.0107 -0.0175 -0.0097 9 LEU C CD2 6347 N N . VAL C 11 ? 0.1594 0.1849 0.2015 0.0112 -0.0071 -0.0070 10 VAL C N 6348 C CA . VAL C 11 ? 0.1520 0.1793 0.1965 0.0114 -0.0049 -0.0061 10 VAL C CA 6349 C C . VAL C 11 ? 0.1548 0.1811 0.1963 0.0110 -0.0048 -0.0049 10 VAL C C 6350 O O . VAL C 11 ? 0.1485 0.1734 0.1896 0.0115 -0.0068 -0.0044 10 VAL C O 6351 C CB . VAL C 11 ? 0.1550 0.1837 0.2046 0.0116 -0.0045 -0.0062 10 VAL C CB 6352 C CG1 . VAL C 11 ? 0.1560 0.1850 0.2059 0.0118 -0.0026 -0.0052 10 VAL C CG1 6353 C CG2 . VAL C 11 ? 0.1575 0.1860 0.2093 0.0111 -0.0044 -0.0076 10 VAL C CG2 6354 N N . PRO C 12 ? 0.1504 0.1775 0.1900 0.0102 -0.0028 -0.0048 11 PRO C N 6355 C CA . PRO C 12 ? 0.1532 0.1789 0.1893 0.0090 -0.0023 -0.0040 11 PRO C CA 6356 C C . PRO C 12 ? 0.1514 0.1782 0.1901 0.0094 -0.0020 -0.0030 11 PRO C C 6357 O O . PRO C 12 ? 0.1477 0.1764 0.1905 0.0105 -0.0018 -0.0030 11 PRO C O 6358 C CB . PRO C 12 ? 0.1557 0.1835 0.1906 0.0074 0.0003 -0.0052 11 PRO C CB 6359 C CG . PRO C 12 ? 0.1515 0.1828 0.1917 0.0091 0.0007 -0.0063 11 PRO C CG 6360 C CD . PRO C 12 ? 0.1522 0.1817 0.1934 0.0104 -0.0010 -0.0060 11 PRO C CD 6361 N N . GLY C 13 ? 0.1542 0.1786 0.1892 0.0082 -0.0019 -0.0023 12 GLY C N 6362 C CA . GLY C 13 ? 0.1577 0.1827 0.1944 0.0083 -0.0015 -0.0016 12 GLY C CA 6363 C C . GLY C 13 ? 0.1694 0.1974 0.2069 0.0068 0.0004 -0.0023 12 GLY C C 6364 O O . GLY C 13 ? 0.1686 0.1997 0.2074 0.0062 0.0017 -0.0038 12 GLY C O 6365 N N . ASP C 14 ? 0.1850 0.2125 0.2222 0.0063 0.0005 -0.0018 13 ASP C N 6366 C CA . ASP C 14 ? 0.1823 0.2131 0.2210 0.0047 0.0018 -0.0029 13 ASP C CA 6367 C C . ASP C 14 ? 0.1849 0.2159 0.2206 0.0014 0.0039 -0.0041 13 ASP C C 6368 O O . ASP C 14 ? 0.1936 0.2189 0.2229 -0.0001 0.0041 -0.0031 13 ASP C O 6369 C CB . ASP C 14 ? 0.2006 0.2293 0.2383 0.0045 0.0013 -0.0021 13 ASP C CB 6370 C CG . ASP C 14 ? 0.2150 0.2479 0.2559 0.0040 0.0015 -0.0034 13 ASP C CG 6371 O OD1 . ASP C 14 ? 0.2055 0.2435 0.2501 0.0040 0.0019 -0.0054 13 ASP C OD1 6372 O OD2 . ASP C 14 ? 0.2235 0.2544 0.2630 0.0038 0.0010 -0.0028 13 ASP C OD2 6373 N N . LEU C 15 ? 0.1876 0.2245 0.2274 0.0005 0.0055 -0.0066 14 LEU C N 6374 C CA . LEU C 15 ? 0.1961 0.2345 0.2342 -0.0030 0.0086 -0.0087 14 LEU C CA 6375 C C . LEU C 15 ? 0.1849 0.2207 0.2192 -0.0032 0.0093 -0.0087 14 LEU C C 6376 O O . LEU C 15 ? 0.1819 0.2168 0.2123 -0.0067 0.0123 -0.0101 14 LEU C O 6377 C CB . LEU C 15 ? 0.2151 0.2487 0.2469 -0.0073 0.0102 -0.0081 14 LEU C CB 6378 C CG . LEU C 15 ? 0.2367 0.2709 0.2702 -0.0078 0.0094 -0.0079 14 LEU C CG 6379 C CD1 . LEU C 15 ? 0.2485 0.2762 0.2741 -0.0126 0.0114 -0.0074 14 LEU C CD1 6380 C CD2 . LEU C 15 ? 0.2341 0.2779 0.2766 -0.0075 0.0098 -0.0111 14 LEU C CD2 6381 N N . GLY C 16 ? 0.1781 0.2125 0.2133 0.0001 0.0069 -0.0073 15 GLY C N 6382 C CA . GLY C 16 ? 0.1795 0.2093 0.2095 0.0001 0.0065 -0.0067 15 GLY C CA 6383 C C . GLY C 16 ? 0.1712 0.2045 0.2036 0.0007 0.0078 -0.0089 15 GLY C C 6384 O O . GLY C 16 ? 0.1719 0.2015 0.2002 0.0010 0.0070 -0.0086 15 GLY C O 6385 N N . ASN C 17 ? 0.1679 0.2081 0.2067 0.0011 0.0094 -0.0116 16 ASN C N 6386 C CA . ASN C 17 ? 0.1626 0.2061 0.2035 0.0014 0.0112 -0.0145 16 ASN C CA 6387 C C . ASN C 17 ? 0.1683 0.2199 0.2157 0.0004 0.0139 -0.0185 16 ASN C C 6388 O O . ASN C 17 ? 0.1615 0.2167 0.2133 0.0004 0.0133 -0.0189 16 ASN C O 6389 C CB . ASN C 17 ? 0.1600 0.2034 0.2040 0.0055 0.0087 -0.0143 16 ASN C CB 6390 C CG . ASN C 17 ? 0.1574 0.2029 0.2070 0.0088 0.0061 -0.0135 16 ASN C CG 6391 O OD1 . ASN C 17 ? 0.1560 0.1977 0.2043 0.0100 0.0039 -0.0109 16 ASN C OD1 6392 N ND2 . ASN C 17 ? 0.1444 0.1955 0.1998 0.0101 0.0063 -0.0161 16 ASN C ND2 6393 N N . GLN C 18 ? 0.1685 0.2230 0.2169 -0.0005 0.0169 -0.0219 17 GLN C N 6394 C CA . GLN C 18 ? 0.1786 0.2426 0.2352 -0.0013 0.0198 -0.0270 17 GLN C CA 6395 C C . GLN C 18 ? 0.1718 0.2415 0.2379 0.0039 0.0160 -0.0282 17 GLN C C 6396 O O . GLN C 18 ? 0.1696 0.2357 0.2353 0.0080 0.0124 -0.0261 17 GLN C O 6397 C CB . GLN C 18 ? 0.1953 0.2617 0.2519 -0.0025 0.0236 -0.0309 17 GLN C CB 6398 C CG . GLN C 18 ? 0.2221 0.2819 0.2676 -0.0082 0.0277 -0.0303 17 GLN C CG 6399 C CD . GLN C 18 ? 0.2451 0.3066 0.2897 -0.0094 0.0318 -0.0344 17 GLN C CD 6400 O OE1 . GLN C 18 ? 0.2393 0.3094 0.2939 -0.0066 0.0327 -0.0391 17 GLN C OE1 6401 N NE2 . GLN C 18 ? 0.2568 0.3093 0.2888 -0.0133 0.0340 -0.0329 17 GLN C NE2 6402 N N . LEU C 19 ? 0.1759 0.2541 0.2502 0.0035 0.0167 -0.0321 18 LEU C N 6403 C CA . LEU C 19 ? 0.1806 0.2648 0.2642 0.0088 0.0129 -0.0346 18 LEU C CA 6404 C C . LEU C 19 ? 0.1780 0.2734 0.2716 0.0084 0.0157 -0.0417 18 LEU C C 6405 O O . LEU C 19 ? 0.1715 0.2712 0.2659 0.0028 0.0208 -0.0444 18 LEU C O 6406 C CB . LEU C 19 ? 0.1849 0.2691 0.2698 0.0095 0.0095 -0.0327 18 LEU C CB 6407 C CG . LEU C 19 ? 0.1941 0.2686 0.2709 0.0102 0.0067 -0.0265 18 LEU C CG 6408 C CD1 . LEU C 19 ? 0.2091 0.2844 0.2875 0.0105 0.0040 -0.0257 18 LEU C CD1 6409 C CD2 . LEU C 19 ? 0.1929 0.2620 0.2677 0.0149 0.0035 -0.0246 18 LEU C CD2 6410 N N . GLU C 20 ? 0.1851 0.2848 0.2862 0.0143 0.0125 -0.0450 19 GLU C N 6411 C CA . GLU C 20 ? 0.1910 0.3028 0.3040 0.0153 0.0144 -0.0528 19 GLU C CA 6412 C C . GLU C 20 ? 0.1832 0.3011 0.3059 0.0209 0.0084 -0.0557 19 GLU C C 6413 O O . GLU C 20 ? 0.1766 0.2874 0.2955 0.0256 0.0025 -0.0519 19 GLU C O 6414 C CB . GLU C 20 ? 0.2257 0.3368 0.3391 0.0182 0.0156 -0.0553 19 GLU C CB 6415 C CG . GLU C 20 ? 0.2553 0.3619 0.3600 0.0126 0.0218 -0.0542 19 GLU C CG 6416 C CD . GLU C 20 ? 0.3033 0.4074 0.4065 0.0154 0.0226 -0.0560 19 GLU C CD 6417 O OE1 . GLU C 20 ? 0.3238 0.4279 0.4316 0.0221 0.0180 -0.0574 19 GLU C OE1 6418 O OE2 . GLU C 20 ? 0.3570 0.4579 0.4531 0.0107 0.0278 -0.0560 19 GLU C OE2 6419 N N . ALA C 21 ? 0.1790 0.3100 0.3141 0.0202 0.0099 -0.0629 20 ALA C N 6420 C CA . ALA C 21 ? 0.1838 0.3216 0.3291 0.0258 0.0035 -0.0667 20 ALA C CA 6421 C C . ALA C 21 ? 0.1817 0.3328 0.3419 0.0296 0.0037 -0.0761 20 ALA C C 6422 O O . ALA C 21 ? 0.1733 0.3317 0.3380 0.0253 0.0108 -0.0808 20 ALA C O 6423 C CB . ALA C 21 ? 0.1846 0.3271 0.3326 0.0215 0.0036 -0.0669 20 ALA C CB 6424 N N . LYS C 22 ? 0.1983 0.3518 0.3656 0.0377 -0.0041 -0.0789 21 LYS C N 6425 C CA . LYS C 22 ? 0.2088 0.3763 0.3927 0.0426 -0.0058 -0.0888 21 LYS C CA 6426 C C . LYS C 22 ? 0.2028 0.3768 0.3956 0.0466 -0.0134 -0.0919 21 LYS C C 6427 O O . LYS C 22 ? 0.2046 0.3680 0.3885 0.0498 -0.0201 -0.0861 21 LYS C O 6428 C CB . LYS C 22 ? 0.2362 0.3980 0.4189 0.0505 -0.0094 -0.0896 21 LYS C CB 6429 C CG . LYS C 22 ? 0.2601 0.4362 0.4605 0.0568 -0.0117 -0.1004 21 LYS C CG 6430 C CD . LYS C 22 ? 0.2927 0.4613 0.4903 0.0644 -0.0149 -0.1011 21 LYS C CD 6431 C CE . LYS C 22 ? 0.3144 0.4980 0.5306 0.0709 -0.0166 -0.1127 21 LYS C CE 6432 N NZ . LYS C 22 ? 0.3490 0.5257 0.5620 0.0767 -0.0174 -0.1138 21 LYS C NZ 6433 N N . LEU C 23 ? 0.1886 0.3802 0.3988 0.0462 -0.0121 -0.1015 22 LEU C N 6434 C CA . LEU C 23 ? 0.1938 0.3936 0.4135 0.0482 -0.0184 -0.1053 22 LEU C CA 6435 C C . LEU C 23 ? 0.2045 0.4167 0.4416 0.0575 -0.0255 -0.1152 22 LEU C C 6436 O O . LEU C 23 ? 0.2011 0.4242 0.4500 0.0587 -0.0216 -0.1228 22 LEU C O 6437 C CB . LEU C 23 ? 0.1916 0.4035 0.4187 0.0382 -0.0107 -0.1090 22 LEU C CB 6438 C CG . LEU C 23 ? 0.1901 0.3920 0.4020 0.0282 -0.0025 -0.1012 22 LEU C CG 6439 C CD1 . LEU C 23 ? 0.1872 0.4011 0.4070 0.0187 0.0046 -0.1062 22 LEU C CD1 6440 C CD2 . LEU C 23 ? 0.1902 0.3755 0.3859 0.0294 -0.0078 -0.0909 22 LEU C CD2 6441 N N . ASP C 24 ? 0.2189 0.4286 0.4569 0.0640 -0.0362 -0.1150 23 ASP C N 6442 C CA . ASP C 24 ? 0.2406 0.4641 0.4970 0.0724 -0.0445 -0.1254 23 ASP C CA 6443 C C . ASP C 24 ? 0.2414 0.4633 0.4964 0.0735 -0.0529 -0.1238 23 ASP C C 6444 O O . ASP C 24 ? 0.2603 0.4715 0.5084 0.0821 -0.0639 -0.1213 23 ASP C O 6445 C CB . ASP C 24 ? 0.2542 0.4702 0.5092 0.0839 -0.0522 -0.1265 23 ASP C CB 6446 C CG . ASP C 24 ? 0.2874 0.5189 0.5631 0.0932 -0.0605 -0.1385 23 ASP C CG 6447 O OD1 . ASP C 24 ? 0.2740 0.5246 0.5675 0.0902 -0.0593 -0.1469 23 ASP C OD1 6448 O OD2 . ASP C 24 ? 0.3127 0.5373 0.5872 0.1036 -0.0682 -0.1399 23 ASP C OD2 6449 N N . LYS C 25 ? 0.2281 0.4589 0.4875 0.0644 -0.0473 -0.1249 24 LYS C N 6450 C CA . LYS C 25 ? 0.2218 0.4483 0.4759 0.0631 -0.0531 -0.1216 24 LYS C CA 6451 C C . LYS C 25 ? 0.2364 0.4790 0.5094 0.0684 -0.0618 -0.1320 24 LYS C C 6452 O O . LYS C 25 ? 0.2187 0.4811 0.5120 0.0673 -0.0583 -0.1426 24 LYS C O 6453 C CB . LYS C 25 ? 0.2155 0.4432 0.4649 0.0505 -0.0431 -0.1181 24 LYS C CB 6454 C CG . LYS C 25 ? 0.2149 0.4272 0.4459 0.0449 -0.0350 -0.1081 24 LYS C CG 6455 C CD . LYS C 25 ? 0.2104 0.4274 0.4408 0.0327 -0.0236 -0.1076 24 LYS C CD 6456 C CE . LYS C 25 ? 0.2075 0.4222 0.4334 0.0274 -0.0249 -0.1049 24 LYS C CE 6457 N NZ . LYS C 25 ? 0.2208 0.4157 0.4264 0.0279 -0.0276 -0.0938 24 LYS C NZ 6458 N N . PRO C 26 ? 0.2549 0.4891 0.5213 0.0737 -0.0729 -0.1294 25 PRO C N 6459 C CA . PRO C 26 ? 0.2711 0.5204 0.5551 0.0785 -0.0820 -0.1393 25 PRO C CA 6460 C C . PRO C 26 ? 0.2590 0.5245 0.5552 0.0682 -0.0757 -0.1445 25 PRO C C 6461 O O . PRO C 26 ? 0.2455 0.5313 0.5637 0.0696 -0.0784 -0.1561 25 PRO C O 6462 C CB . PRO C 26 ? 0.2819 0.5131 0.5498 0.0858 -0.0949 -0.1331 25 PRO C CB 6463 C CG . PRO C 26 ? 0.2903 0.5001 0.5337 0.0809 -0.0896 -0.1200 25 PRO C CG 6464 C CD . PRO C 26 ? 0.2718 0.4819 0.5142 0.0764 -0.0781 -0.1179 25 PRO C CD 6465 N N . THR C 27 ? 0.2476 0.5042 0.5299 0.0581 -0.0677 -0.1364 26 THR C N 6466 C CA . THR C 27 ? 0.2522 0.5210 0.5429 0.0473 -0.0610 -0.1403 26 THR C CA 6467 C C . THR C 27 ? 0.2435 0.5051 0.5222 0.0360 -0.0476 -0.1334 26 THR C C 6468 O O . THR C 27 ? 0.2381 0.4822 0.4986 0.0367 -0.0453 -0.1236 26 THR C O 6469 C CB . THR C 27 ? 0.2854 0.5484 0.5698 0.0474 -0.0693 -0.1379 26 THR C CB 6470 O OG1 . THR C 27 ? 0.3191 0.5587 0.5785 0.0471 -0.0698 -0.1252 26 THR C OG1 6471 C CG2 . THR C 27 ? 0.3130 0.5815 0.6075 0.0587 -0.0839 -0.1446 26 THR C CG2 6472 N N . VAL C 28 ? 0.2175 0.4918 0.5057 0.0254 -0.0389 -0.1386 27 VAL C N 6473 C CA . VAL C 28 ? 0.2122 0.4782 0.4874 0.0140 -0.0267 -0.1321 27 VAL C CA 6474 C C . VAL C 28 ? 0.2179 0.4849 0.4916 0.0054 -0.0250 -0.1320 27 VAL C C 6475 O O . VAL C 28 ? 0.2123 0.4926 0.5005 0.0059 -0.0302 -0.1399 27 VAL C O 6476 C CB . VAL C 28 ? 0.2102 0.4868 0.4940 0.0076 -0.0148 -0.1375 27 VAL C CB 6477 C CG1 . VAL C 28 ? 0.2111 0.4813 0.4902 0.0145 -0.0145 -0.1348 27 VAL C CG1 6478 C CG2 . VAL C 28 ? 0.2077 0.5095 0.5175 0.0055 -0.0132 -0.1519 27 VAL C CG2 6479 N N . VAL C 29 ? 0.2089 0.4617 0.4650 -0.0024 -0.0179 -0.1234 28 VAL C N 6480 C CA . VAL C 29 ? 0.2131 0.4643 0.4653 -0.0110 -0.0158 -0.1226 28 VAL C CA 6481 C C . VAL C 29 ? 0.2144 0.4806 0.4792 -0.0225 -0.0058 -0.1311 28 VAL C C 6482 O O . VAL C 29 ? 0.2231 0.4938 0.4916 -0.0285 -0.0059 -0.1342 28 VAL C O 6483 C CB . VAL C 29 ? 0.2222 0.4513 0.4504 -0.0142 -0.0131 -0.1102 28 VAL C CB 6484 C CG1 . VAL C 29 ? 0.2335 0.4485 0.4499 -0.0040 -0.0226 -0.1027 28 VAL C CG1 6485 C CG2 . VAL C 29 ? 0.2272 0.4494 0.4460 -0.0202 -0.0023 -0.1061 28 VAL C CG2 6486 N N . HIS C 30 ? 0.2132 0.4864 0.4837 -0.0261 0.0031 -0.1349 29 HIS C N 6487 C CA . HIS C 30 ? 0.2204 0.5093 0.5043 -0.0370 0.0133 -0.1445 29 HIS C CA 6488 C C . HIS C 30 ? 0.2278 0.5327 0.5289 -0.0331 0.0158 -0.1534 29 HIS C C 6489 O O . HIS C 30 ? 0.2120 0.5101 0.5076 -0.0255 0.0139 -0.1494 29 HIS C O 6490 C CB . HIS C 30 ? 0.2263 0.5027 0.4933 -0.0490 0.0257 -0.1389 29 HIS C CB 6491 C CG . HIS C 30 ? 0.2311 0.4897 0.4793 -0.0529 0.0244 -0.1296 29 HIS C CG 6492 N ND1 . HIS C 30 ? 0.2384 0.5005 0.4908 -0.0559 0.0204 -0.1322 29 HIS C ND1 6493 C CD2 . HIS C 30 ? 0.2365 0.4737 0.4620 -0.0538 0.0262 -0.1182 29 HIS C CD2 6494 C CE1 . HIS C 30 ? 0.2446 0.4878 0.4772 -0.0584 0.0200 -0.1226 29 HIS C CE1 6495 N NE2 . HIS C 30 ? 0.2436 0.4719 0.4602 -0.0571 0.0235 -0.1142 29 HIS C NE2 6496 N N . TYR C 31 ? 0.2191 0.5450 0.5408 -0.0390 0.0209 -0.1658 30 TYR C N 6497 C CA . TYR C 31 ? 0.2349 0.5770 0.5739 -0.0357 0.0243 -0.1752 30 TYR C CA 6498 C C . TYR C 31 ? 0.2392 0.5721 0.5658 -0.0403 0.0353 -0.1711 30 TYR C C 6499 O O . TYR C 31 ? 0.2334 0.5738 0.5689 -0.0348 0.0362 -0.1758 30 TYR C O 6500 C CB . TYR C 31 ? 0.2309 0.5987 0.5957 -0.0419 0.0292 -0.1904 30 TYR C CB 6501 C CG . TYR C 31 ? 0.2320 0.6181 0.6181 -0.0339 0.0281 -0.2011 30 TYR C CG 6502 C CD1 . TYR C 31 ? 0.2298 0.6176 0.6229 -0.0183 0.0142 -0.2016 30 TYR C CD1 6503 C CD2 . TYR C 31 ? 0.2398 0.6395 0.6370 -0.0418 0.0412 -0.2102 30 TYR C CD2 6504 C CE1 . TYR C 31 ? 0.2399 0.6433 0.6520 -0.0102 0.0127 -0.2114 30 TYR C CE1 6505 C CE2 . TYR C 31 ? 0.2358 0.6522 0.6528 -0.0341 0.0404 -0.2204 30 TYR C CE2 6506 C CZ . TYR C 31 ? 0.2284 0.6466 0.6531 -0.0180 0.0258 -0.2210 30 TYR C CZ 6507 O OH . TYR C 31 ? 0.2313 0.6650 0.6750 -0.0098 0.0246 -0.2311 30 TYR C OH 6508 N N . LEU C 32 ? 0.2617 0.5790 0.5684 -0.0507 0.0439 -0.1634 31 LEU C N 6509 C CA . LEU C 32 ? 0.2836 0.5905 0.5765 -0.0551 0.0538 -0.1592 31 LEU C CA 6510 C C . LEU C 32 ? 0.2630 0.5528 0.5405 -0.0448 0.0472 -0.1486 31 LEU C C 6511 O O . LEU C 32 ? 0.2718 0.5535 0.5389 -0.0465 0.0536 -0.1454 31 LEU C O 6512 C CB . LEU C 32 ? 0.3231 0.6177 0.5987 -0.0697 0.0649 -0.1549 31 LEU C CB 6513 C CG . LEU C 32 ? 0.3509 0.6282 0.6089 -0.0726 0.0612 -0.1451 31 LEU C CG 6514 C CD1 . LEU C 32 ? 0.3663 0.6225 0.6041 -0.0648 0.0552 -0.1321 31 LEU C CD1 6515 C CD2 . LEU C 32 ? 0.3796 0.6496 0.6259 -0.0879 0.0729 -0.1449 31 LEU C CD2 6516 N N . CYS C 33 ? 0.2535 0.5376 0.5290 -0.0347 0.0348 -0.1435 32 CYS C N 6517 C CA . CYS C 33 ? 0.2599 0.5288 0.5221 -0.0249 0.0285 -0.1343 32 CYS C CA 6518 C C . CYS C 33 ? 0.2560 0.5361 0.5328 -0.0152 0.0247 -0.1410 32 CYS C C 6519 O O . CYS C 33 ? 0.2515 0.5481 0.5481 -0.0101 0.0190 -0.1502 32 CYS C O 6520 C CB . CYS C 33 ? 0.2702 0.5281 0.5241 -0.0182 0.0172 -0.1268 32 CYS C CB 6521 S SG . CYS C 33 ? 0.3122 0.5570 0.5505 -0.0268 0.0185 -0.1193 32 CYS C SG 6522 N N . SER C 34 ? 0.2450 0.5160 0.5125 -0.0122 0.0272 -0.1367 33 SER C N 6523 C CA . SER C 34 ? 0.2453 0.5243 0.5247 -0.0021 0.0228 -0.1423 33 SER C CA 6524 C C . SER C 34 ? 0.2346 0.5083 0.5140 0.0103 0.0085 -0.1390 33 SER C C 6525 O O . SER C 34 ? 0.1994 0.4554 0.4612 0.0122 0.0038 -0.1284 33 SER C O 6526 C CB . SER C 34 ? 0.2645 0.5329 0.5317 -0.0019 0.0284 -0.1378 33 SER C CB 6527 O OG . SER C 34 ? 0.2796 0.5520 0.5459 -0.0127 0.0414 -0.1415 33 SER C OG 6528 N N . LYS C 35 ? 0.2120 0.5002 0.5103 0.0187 0.0017 -0.1483 34 LYS C N 6529 C CA . LYS C 35 ? 0.2324 0.5146 0.5302 0.0314 -0.0121 -0.1462 34 LYS C CA 6530 C C . LYS C 35 ? 0.2322 0.5030 0.5213 0.0394 -0.0146 -0.1420 34 LYS C C 6531 O O . LYS C 35 ? 0.2472 0.5028 0.5239 0.0467 -0.0233 -0.1346 34 LYS C O 6532 C CB . LYS C 35 ? 0.2511 0.5534 0.5732 0.0382 -0.0197 -0.1587 34 LYS C CB 6533 C CG . LYS C 35 ? 0.2704 0.5756 0.5959 0.0384 -0.0276 -0.1595 34 LYS C CG 6534 C CD . LYS C 35 ? 0.2903 0.6143 0.6396 0.0469 -0.0369 -0.1719 34 LYS C CD 6535 C CE . LYS C 35 ? 0.3078 0.6269 0.6540 0.0517 -0.0494 -0.1697 34 LYS C CE 6536 N NZ . LYS C 35 ? 0.3335 0.6723 0.7040 0.0593 -0.0589 -0.1827 34 LYS C NZ 6537 N N . LYS C 36 ? 0.2452 0.5229 0.5403 0.0375 -0.0065 -0.1470 35 LYS C N 6538 C CA . LYS C 36 ? 0.2674 0.5378 0.5586 0.0457 -0.0090 -0.1458 35 LYS C CA 6539 C C . LYS C 36 ? 0.2660 0.5334 0.5499 0.0383 0.0032 -0.1444 35 LYS C C 6540 O O . LYS C 36 ? 0.2634 0.5434 0.5560 0.0297 0.0132 -0.1509 35 LYS C O 6541 C CB . LYS C 36 ? 0.3083 0.5952 0.6215 0.0554 -0.0153 -0.1581 35 LYS C CB 6542 C CG . LYS C 36 ? 0.3596 0.6377 0.6691 0.0661 -0.0208 -0.1573 35 LYS C CG 6543 C CD . LYS C 36 ? 0.4077 0.7031 0.7404 0.0761 -0.0276 -0.1703 35 LYS C CD 6544 C CE . LYS C 36 ? 0.4636 0.7518 0.7942 0.0858 -0.0312 -0.1713 35 LYS C CE 6545 N NZ . LYS C 36 ? 0.5005 0.7650 0.8107 0.0932 -0.0412 -0.1604 35 LYS C NZ 6546 N N . THR C 37 ? 0.2557 0.5062 0.5233 0.0413 0.0025 -0.1362 36 THR C N 6547 C CA . THR C 37 ? 0.2719 0.5188 0.5325 0.0361 0.0126 -0.1355 36 THR C CA 6548 C C . THR C 37 ? 0.3053 0.5472 0.5658 0.0460 0.0080 -0.1366 36 THR C C 6549 O O . THR C 37 ? 0.3124 0.5440 0.5674 0.0549 -0.0022 -0.1321 36 THR C O 6550 C CB . THR C 37 ? 0.2640 0.4930 0.5020 0.0284 0.0173 -0.1236 36 THR C CB 6551 O OG1 . THR C 37 ? 0.2253 0.4374 0.4496 0.0349 0.0087 -0.1142 36 THR C OG1 6552 C CG2 . THR C 37 ? 0.2603 0.4920 0.4968 0.0190 0.0213 -0.1222 36 THR C CG2 6553 N N . GLU C 38 ? 0.3586 0.6064 0.6236 0.0441 0.0158 -0.1423 37 GLU C N 6554 C CA . GLU C 38 ? 0.4035 0.6463 0.6681 0.0531 0.0123 -0.1439 37 GLU C CA 6555 C C . GLU C 38 ? 0.3728 0.5939 0.6149 0.0526 0.0122 -0.1324 37 GLU C C 6556 O O . GLU C 38 ? 0.3803 0.5923 0.6181 0.0608 0.0063 -0.1308 37 GLU C O 6557 C CB . GLU C 38 ? 0.4622 0.7201 0.7410 0.0517 0.0207 -0.1553 37 GLU C CB 6558 C CG . GLU C 38 ? 0.5546 0.8359 0.8585 0.0530 0.0205 -0.1682 37 GLU C CG 6559 C CD . GLU C 38 ? 0.6310 0.9156 0.9460 0.0659 0.0063 -0.1715 37 GLU C CD 6560 O OE1 . GLU C 38 ? 0.7254 0.9987 1.0345 0.0759 -0.0014 -0.1688 37 GLU C OE1 6561 O OE2 . GLU C 38 ? 0.6916 0.9895 1.0207 0.0661 0.0025 -0.1768 37 GLU C OE2 6562 N N . SER C 39 ? 0.3330 0.5456 0.5608 0.0430 0.0184 -0.1248 38 SER C N 6563 C CA . SER C 39 ? 0.3258 0.5192 0.5335 0.0421 0.0181 -0.1143 38 SER C CA 6564 C C . SER C 39 ? 0.2889 0.4730 0.4839 0.0358 0.0181 -0.1051 38 SER C C 6565 O O . SER C 39 ? 0.2586 0.4503 0.4596 0.0323 0.0183 -0.1066 38 SER C O 6566 C CB . SER C 39 ? 0.3685 0.5600 0.5703 0.0369 0.0274 -0.1157 38 SER C CB 6567 O OG . SER C 39 ? 0.4017 0.6007 0.6047 0.0266 0.0370 -0.1184 38 SER C OG 6568 N N . TYR C 40 ? 0.2642 0.4321 0.4423 0.0349 0.0174 -0.0960 39 TYR C N 6569 C CA . TYR C 40 ? 0.2649 0.4231 0.4303 0.0292 0.0178 -0.0873 39 TYR C CA 6570 C C . TYR C 40 ? 0.2625 0.4234 0.4242 0.0189 0.0274 -0.0879 39 TYR C C 6571 O O . TYR C 40 ? 0.2748 0.4385 0.4366 0.0158 0.0341 -0.0920 39 TYR C O 6572 C CB . TYR C 40 ? 0.2600 0.4013 0.4100 0.0313 0.0144 -0.0785 39 TYR C CB 6573 C CG . TYR C 40 ? 0.2711 0.4062 0.4208 0.0397 0.0049 -0.0760 39 TYR C CG 6574 C CD1 . TYR C 40 ? 0.2922 0.4273 0.4468 0.0477 0.0006 -0.0800 39 TYR C CD1 6575 C CD2 . TYR C 40 ? 0.2662 0.3948 0.4099 0.0397 0.0003 -0.0699 39 TYR C CD2 6576 C CE1 . TYR C 40 ? 0.2969 0.4241 0.4489 0.0552 -0.0082 -0.0775 39 TYR C CE1 6577 C CE2 . TYR C 40 ? 0.2675 0.3888 0.4088 0.0467 -0.0079 -0.0676 39 TYR C CE2 6578 C CZ . TYR C 40 ? 0.2924 0.4126 0.4374 0.0543 -0.0122 -0.0713 39 TYR C CZ 6579 O OH . TYR C 40 ? 0.3063 0.4169 0.4464 0.0610 -0.0205 -0.0686 39 TYR C OH 6580 N N . PHE C 41 ? 0.2382 0.3971 0.3954 0.0134 0.0280 -0.0840 40 PHE C N 6581 C CA . PHE C 41 ? 0.2291 0.3862 0.3787 0.0035 0.0363 -0.0829 40 PHE C CA 6582 C C . PHE C 41 ? 0.2208 0.3635 0.3552 0.0012 0.0338 -0.0731 40 PHE C C 6583 O O . PHE C 41 ? 0.2054 0.3437 0.3388 0.0062 0.0267 -0.0688 40 PHE C O 6584 C CB . PHE C 41 ? 0.2303 0.4014 0.3917 -0.0019 0.0407 -0.0900 40 PHE C CB 6585 C CG . PHE C 41 ? 0.2378 0.4117 0.4042 -0.0004 0.0348 -0.0887 40 PHE C CG 6586 C CD1 . PHE C 41 ? 0.2359 0.4180 0.4153 0.0077 0.0271 -0.0926 40 PHE C CD1 6587 C CD2 . PHE C 41 ? 0.2411 0.4085 0.3982 -0.0071 0.0366 -0.0837 40 PHE C CD2 6588 C CE1 . PHE C 41 ? 0.2467 0.4306 0.4295 0.0089 0.0213 -0.0914 40 PHE C CE1 6589 C CE2 . PHE C 41 ? 0.2500 0.4195 0.4111 -0.0059 0.0313 -0.0826 40 PHE C CE2 6590 C CZ . PHE C 41 ? 0.2506 0.4285 0.4244 0.0019 0.0237 -0.0864 40 PHE C CZ 6591 N N . THR C 42 ? 0.2112 0.3465 0.3335 -0.0064 0.0397 -0.0700 41 THR C N 6592 C CA . THR C 42 ? 0.2172 0.3393 0.3257 -0.0085 0.0375 -0.0614 41 THR C CA 6593 C C . THR C 42 ? 0.2135 0.3381 0.3246 -0.0111 0.0362 -0.0606 41 THR C C 6594 O O . THR C 42 ? 0.2191 0.3496 0.3331 -0.0178 0.0416 -0.0646 41 THR C O 6595 C CB . THR C 42 ? 0.2308 0.3428 0.3245 -0.0152 0.0434 -0.0586 41 THR C CB 6596 O OG1 . THR C 42 ? 0.2359 0.3450 0.3268 -0.0124 0.0440 -0.0593 41 THR C OG1 6597 C CG2 . THR C 42 ? 0.2258 0.3242 0.3059 -0.0165 0.0403 -0.0502 41 THR C CG2 6598 N N . ILE C 43 ? 0.1967 0.3170 0.3069 -0.0063 0.0292 -0.0559 42 ILE C N 6599 C CA . ILE C 43 ? 0.1960 0.3172 0.3074 -0.0083 0.0272 -0.0546 42 ILE C CA 6600 C C . ILE C 43 ? 0.1962 0.3042 0.2930 -0.0121 0.0276 -0.0474 42 ILE C C 6601 O O . ILE C 43 ? 0.1947 0.3020 0.2898 -0.0164 0.0284 -0.0467 42 ILE C O 6602 C CB . ILE C 43 ? 0.1999 0.3256 0.3200 -0.0009 0.0194 -0.0553 42 ILE C CB 6603 C CG1 . ILE C 43 ? 0.2093 0.3399 0.3340 -0.0036 0.0183 -0.0568 42 ILE C CG1 6604 C CG2 . ILE C 43 ? 0.1993 0.3136 0.3110 0.0045 0.0138 -0.0486 42 ILE C CG2 6605 C CD1 . ILE C 43 ? 0.2198 0.3566 0.3542 0.0030 0.0108 -0.0595 42 ILE C CD1 6606 N N . TRP C 44 ? 0.1913 0.2891 0.2781 -0.0106 0.0269 -0.0425 43 TRP C N 6607 C CA . TRP C 44 ? 0.1915 0.2769 0.2645 -0.0142 0.0276 -0.0365 43 TRP C CA 6608 C C . TRP C 44 ? 0.1937 0.2722 0.2579 -0.0150 0.0299 -0.0350 43 TRP C C 6609 O O . TRP C 44 ? 0.1720 0.2505 0.2383 -0.0101 0.0274 -0.0348 43 TRP C O 6610 C CB . TRP C 44 ? 0.1928 0.2720 0.2630 -0.0097 0.0216 -0.0312 43 TRP C CB 6611 C CG . TRP C 44 ? 0.1905 0.2580 0.2484 -0.0123 0.0216 -0.0258 43 TRP C CG 6612 C CD1 . TRP C 44 ? 0.1978 0.2567 0.2479 -0.0104 0.0198 -0.0218 43 TRP C CD1 6613 C CD2 . TRP C 44 ? 0.2019 0.2650 0.2541 -0.0170 0.0231 -0.0245 43 TRP C CD2 6614 N NE1 . TRP C 44 ? 0.1997 0.2494 0.2402 -0.0129 0.0195 -0.0181 43 TRP C NE1 6615 C CE2 . TRP C 44 ? 0.2118 0.2632 0.2528 -0.0171 0.0217 -0.0196 43 TRP C CE2 6616 C CE3 . TRP C 44 ? 0.2194 0.2874 0.2754 -0.0213 0.0253 -0.0274 43 TRP C CE3 6617 C CZ2 . TRP C 44 ? 0.2234 0.2666 0.2558 -0.0207 0.0222 -0.0172 43 TRP C CZ2 6618 C CZ3 . TRP C 44 ? 0.2273 0.2871 0.2745 -0.0255 0.0262 -0.0249 43 TRP C CZ3 6619 C CH2 . TRP C 44 ? 0.2332 0.2802 0.2684 -0.0250 0.0246 -0.0197 43 TRP C CH2 6620 N N . LEU C 45 ? 0.2231 0.2943 0.2764 -0.0211 0.0342 -0.0340 44 LEU C N 6621 C CA . LEU C 45 ? 0.2451 0.3135 0.2932 -0.0279 0.0379 -0.0342 44 LEU C CA 6622 C C . LEU C 45 ? 0.2717 0.3464 0.3221 -0.0342 0.0454 -0.0404 44 LEU C C 6623 O O . LEU C 45 ? 0.2550 0.3264 0.2993 -0.0362 0.0491 -0.0415 44 LEU C O 6624 C CB . LEU C 45 ? 0.2836 0.3364 0.3151 -0.0303 0.0372 -0.0285 44 LEU C CB 6625 C CG . LEU C 45 ? 0.3035 0.3486 0.3247 -0.0380 0.0411 -0.0280 44 LEU C CG 6626 C CD1 . LEU C 45 ? 0.3087 0.3588 0.3369 -0.0385 0.0397 -0.0285 44 LEU C CD1 6627 C CD2 . LEU C 45 ? 0.3280 0.3565 0.3324 -0.0383 0.0387 -0.0223 44 LEU C CD2 6628 N N . ASN C 46 ? 0.2852 0.3693 0.3447 -0.0376 0.0479 -0.0449 45 ASN C N 6629 C CA . ASN C 46 ? 0.3191 0.4094 0.3807 -0.0452 0.0563 -0.0513 45 ASN C CA 6630 C C . ASN C 46 ? 0.3525 0.4415 0.4119 -0.0520 0.0588 -0.0517 45 ASN C C 6631 O O . ASN C 46 ? 0.3014 0.3990 0.3718 -0.0502 0.0557 -0.0535 45 ASN C O 6632 C CB . ASN C 46 ? 0.3264 0.4340 0.4062 -0.0422 0.0574 -0.0590 45 ASN C CB 6633 C CG . ASN C 46 ? 0.3561 0.4723 0.4406 -0.0506 0.0667 -0.0668 45 ASN C CG 6634 O OD1 . ASN C 46 ? 0.3959 0.5052 0.4700 -0.0594 0.0723 -0.0664 45 ASN C OD1 6635 N ND2 . ASN C 46 ? 0.3464 0.4773 0.4461 -0.0480 0.0683 -0.0742 45 ASN C ND2 6636 N N . LEU C 47 ? 0.4218 0.4986 0.4654 -0.0599 0.0641 -0.0500 46 LEU C N 6637 C CA . LEU C 47 ? 0.4897 0.5603 0.5263 -0.0669 0.0664 -0.0490 46 LEU C CA 6638 C C . LEU C 47 ? 0.4611 0.5469 0.5120 -0.0724 0.0715 -0.0570 46 LEU C C 6639 O O . LEU C 47 ? 0.4880 0.5742 0.5404 -0.0754 0.0708 -0.0571 46 LEU C O 6640 C CB . LEU C 47 ? 0.5379 0.5906 0.5526 -0.0745 0.0715 -0.0461 46 LEU C CB 6641 C CG . LEU C 47 ? 0.5789 0.6149 0.5780 -0.0697 0.0658 -0.0382 46 LEU C CG 6642 C CD1 . LEU C 47 ? 0.6361 0.6545 0.6132 -0.0775 0.0710 -0.0365 46 LEU C CD1 6643 C CD2 . LEU C 47 ? 0.5746 0.6051 0.5727 -0.0649 0.0584 -0.0329 46 LEU C CD2 6644 N N . GLU C 48 ? 0.4840 0.5832 0.5465 -0.0734 0.0764 -0.0642 47 GLU C N 6645 C CA . GLU C 48 ? 0.5089 0.6245 0.5870 -0.0788 0.0815 -0.0731 47 GLU C CA 6646 C C . GLU C 48 ? 0.4723 0.6017 0.5687 -0.0721 0.0742 -0.0753 47 GLU C C 6647 O O . GLU C 48 ? 0.4546 0.5959 0.5629 -0.0766 0.0767 -0.0817 47 GLU C O 6648 C CB . GLU C 48 ? 0.5527 0.6796 0.6392 -0.0811 0.0887 -0.0809 47 GLU C CB 6649 C CG . GLU C 48 ? 0.6461 0.7590 0.7131 -0.0903 0.0975 -0.0799 47 GLU C CG 6650 C CD . GLU C 48 ? 0.7245 0.8480 0.7988 -0.0933 0.1056 -0.0880 47 GLU C CD 6651 O OE1 . GLU C 48 ? 0.8034 0.9411 0.8945 -0.0852 0.1023 -0.0922 47 GLU C OE1 6652 O OE2 . GLU C 48 ? 0.8477 0.9644 0.9102 -0.1040 0.1155 -0.0905 47 GLU C OE2 6653 N N . LEU C 49 ? 0.3921 0.5194 0.4902 -0.0618 0.0652 -0.0703 48 LEU C N 6654 C CA . LEU C 49 ? 0.3580 0.4956 0.4705 -0.0549 0.0576 -0.0717 48 LEU C CA 6655 C C . LEU C 49 ? 0.3492 0.4784 0.4545 -0.0566 0.0540 -0.0669 48 LEU C C 6656 O O . LEU C 49 ? 0.3320 0.4686 0.4475 -0.0526 0.0483 -0.0683 48 LEU C O 6657 C CB . LEU C 49 ? 0.3262 0.4637 0.4419 -0.0438 0.0500 -0.0686 48 LEU C CB 6658 C CG . LEU C 49 ? 0.3287 0.4727 0.4504 -0.0407 0.0523 -0.0726 48 LEU C CG 6659 C CD1 . LEU C 49 ? 0.3217 0.4631 0.4447 -0.0300 0.0442 -0.0688 48 LEU C CD1 6660 C CD2 . LEU C 49 ? 0.3354 0.4986 0.4758 -0.0424 0.0562 -0.0834 48 LEU C CD2 6661 N N . LEU C 50 ? 0.3648 0.4776 0.4520 -0.0621 0.0569 -0.0612 49 LEU C N 6662 C CA . LEU C 50 ? 0.3782 0.4806 0.4566 -0.0631 0.0534 -0.0560 49 LEU C CA 6663 C C . LEU C 50 ? 0.3949 0.4958 0.4699 -0.0737 0.0594 -0.0591 49 LEU C C 6664 O O . LEU C 50 ? 0.4015 0.4933 0.4688 -0.0754 0.0571 -0.0554 49 LEU C O 6665 C CB . LEU C 50 ? 0.4013 0.4850 0.4615 -0.0606 0.0510 -0.0473 49 LEU C CB 6666 C CG . LEU C 50 ? 0.4144 0.4982 0.4764 -0.0514 0.0460 -0.0443 49 LEU C CG 6667 C CD1 . LEU C 50 ? 0.4207 0.4874 0.4660 -0.0496 0.0440 -0.0368 49 LEU C CD1 6668 C CD2 . LEU C 50 ? 0.3841 0.4761 0.4580 -0.0434 0.0388 -0.0443 49 LEU C CD2 6669 N N . LEU C 51 ? 0.4084 0.5189 0.4900 -0.0810 0.0672 -0.0664 50 LEU C N 6670 C CA . LEU C 51 ? 0.4215 0.5317 0.5008 -0.0923 0.0739 -0.0704 50 LEU C CA 6671 C C . LEU C 51 ? 0.4181 0.5405 0.5122 -0.0915 0.0697 -0.0744 50 LEU C C 6672 O O . LEU C 51 ? 0.3895 0.5240 0.4983 -0.0828 0.0628 -0.0762 50 LEU C O 6673 C CB . LEU C 51 ? 0.4482 0.5680 0.5331 -0.1002 0.0839 -0.0784 50 LEU C CB 6674 C CG . LEU C 51 ? 0.4827 0.5898 0.5514 -0.1029 0.0893 -0.0754 50 LEU C CG 6675 C CD1 . LEU C 51 ? 0.4841 0.6051 0.5633 -0.1079 0.0980 -0.0844 50 LEU C CD1 6676 C CD2 . LEU C 51 ? 0.5210 0.6055 0.5651 -0.1112 0.0932 -0.0698 50 LEU C CD2 6677 N N . PRO C 52 ? 0.4232 0.5411 0.5122 -0.1007 0.0734 -0.0758 51 PRO C N 6678 C CA . PRO C 52 ? 0.3976 0.5268 0.5003 -0.1004 0.0693 -0.0800 51 PRO C CA 6679 C C . PRO C 52 ? 0.3462 0.5000 0.4738 -0.0973 0.0683 -0.0895 51 PRO C C 6680 O O . PRO C 52 ? 0.3393 0.5025 0.4740 -0.1008 0.0749 -0.0955 51 PRO C O 6681 C CB . PRO C 52 ? 0.4304 0.5529 0.5246 -0.1136 0.0768 -0.0822 51 PRO C CB 6682 C CG . PRO C 52 ? 0.4546 0.5544 0.5242 -0.1176 0.0811 -0.0750 51 PRO C CG 6683 C CD . PRO C 52 ? 0.4485 0.5491 0.5176 -0.1114 0.0810 -0.0732 51 PRO C CD 6684 N N . VAL C 53 ? 0.3303 0.4933 0.4703 -0.0902 0.0596 -0.0909 52 VAL C N 6685 C CA . VAL C 53 ? 0.3134 0.4988 0.4772 -0.0851 0.0558 -0.0998 52 VAL C CA 6686 C C . VAL C 53 ? 0.2864 0.4759 0.4554 -0.0746 0.0518 -0.0988 52 VAL C C 6687 O O . VAL C 53 ? 0.2623 0.4571 0.4397 -0.0646 0.0425 -0.0986 52 VAL C O 6688 C CB . VAL C 53 ? 0.3393 0.5417 0.5181 -0.0949 0.0642 -0.1112 52 VAL C CB 6689 C CG1 . VAL C 53 ? 0.3374 0.5635 0.5422 -0.0885 0.0585 -0.1208 52 VAL C CG1 6690 C CG2 . VAL C 53 ? 0.3581 0.5550 0.5304 -0.1062 0.0685 -0.1121 52 VAL C CG2 6691 N N . ILE C 54 ? 0.2861 0.4723 0.4494 -0.0771 0.0586 -0.0984 53 ILE C N 6692 C CA . ILE C 54 ? 0.2891 0.4766 0.4547 -0.0679 0.0556 -0.0969 53 ILE C CA 6693 C C . ILE C 54 ? 0.2648 0.4381 0.4188 -0.0587 0.0468 -0.0869 53 ILE C C 6694 O O . ILE C 54 ? 0.2446 0.4215 0.4047 -0.0489 0.0403 -0.0863 53 ILE C O 6695 C CB . ILE C 54 ? 0.3285 0.5106 0.4850 -0.0736 0.0652 -0.0969 53 ILE C CB 6696 C CG1 . ILE C 54 ? 0.3903 0.5874 0.5590 -0.0833 0.0750 -0.1078 53 ILE C CG1 6697 C CG2 . ILE C 54 ? 0.3285 0.5113 0.4867 -0.0645 0.0622 -0.0955 53 ILE C CG2 6698 C CD1 . ILE C 54 ? 0.4377 0.6259 0.5928 -0.0928 0.0862 -0.1077 53 ILE C CD1 6699 N N . ILE C 55 ? 0.2517 0.4090 0.3894 -0.0618 0.0465 -0.0796 54 ILE C N 6700 C CA . ILE C 55 ? 0.2516 0.3961 0.3790 -0.0539 0.0390 -0.0708 54 ILE C CA 6701 C C . ILE C 55 ? 0.2241 0.3761 0.3622 -0.0455 0.0296 -0.0720 54 ILE C C 6702 O O . ILE C 55 ? 0.2056 0.3511 0.3392 -0.0374 0.0235 -0.0667 54 ILE C O 6703 C CB . ILE C 55 ? 0.2778 0.4045 0.3869 -0.0586 0.0401 -0.0637 54 ILE C CB 6704 C CG1 . ILE C 55 ? 0.2984 0.4127 0.3974 -0.0505 0.0338 -0.0553 54 ILE C CG1 6705 C CG2 . ILE C 55 ? 0.2889 0.4178 0.4008 -0.0632 0.0391 -0.0661 54 ILE C CG2 6706 C CD1 . ILE C 55 ? 0.3390 0.4350 0.4191 -0.0537 0.0359 -0.0482 54 ILE C CD1 6707 N N . ASP C 56 ? 0.2104 0.3756 0.3620 -0.0476 0.0283 -0.0791 55 ASP C N 6708 C CA . ASP C 56 ? 0.2105 0.3822 0.3716 -0.0394 0.0186 -0.0807 55 ASP C CA 6709 C C . ASP C 56 ? 0.1992 0.3787 0.3699 -0.0302 0.0144 -0.0832 55 ASP C C 6710 O O . ASP C 56 ? 0.1923 0.3681 0.3619 -0.0215 0.0061 -0.0802 55 ASP C O 6711 C CB . ASP C 56 ? 0.2252 0.4109 0.4004 -0.0434 0.0177 -0.0890 55 ASP C CB 6712 C CG . ASP C 56 ? 0.2511 0.4287 0.4169 -0.0519 0.0207 -0.0868 55 ASP C CG 6713 O OD1 . ASP C 56 ? 0.2681 0.4293 0.4180 -0.0508 0.0188 -0.0785 55 ASP C OD1 6714 O OD2 . ASP C 56 ? 0.2597 0.4475 0.4346 -0.0598 0.0249 -0.0939 55 ASP C OD2 6715 N N . CYS C 57 ? 0.1986 0.3877 0.3778 -0.0325 0.0203 -0.0889 56 CYS C N 6716 C CA . CYS C 57 ? 0.2050 0.3999 0.3919 -0.0242 0.0173 -0.0912 56 CYS C CA 6717 C C . CYS C 57 ? 0.1955 0.3743 0.3670 -0.0189 0.0152 -0.0818 56 CYS C C 6718 O O . CYS C 57 ? 0.1823 0.3594 0.3551 -0.0098 0.0080 -0.0803 56 CYS C O 6719 C CB . CYS C 57 ? 0.2263 0.4326 0.4226 -0.0287 0.0257 -0.0985 56 CYS C CB 6720 S SG . CYS C 57 ? 0.2790 0.5050 0.4933 -0.0379 0.0317 -0.1105 56 CYS C SG 6721 N N . TRP C 58 ? 0.1835 0.3501 0.3403 -0.0248 0.0212 -0.0760 57 TRP C N 6722 C CA . TRP C 58 ? 0.1880 0.3399 0.3308 -0.0208 0.0197 -0.0676 57 TRP C CA 6723 C C . TRP C 58 ? 0.1836 0.3268 0.3203 -0.0147 0.0116 -0.0618 57 TRP C C 6724 O O . TRP C 58 ? 0.1897 0.3284 0.3241 -0.0075 0.0069 -0.0587 57 TRP C O 6725 C CB . TRP C 58 ? 0.1949 0.3354 0.3232 -0.0284 0.0268 -0.0630 57 TRP C CB 6726 C CG . TRP C 58 ? 0.1901 0.3167 0.3050 -0.0251 0.0255 -0.0554 57 TRP C CG 6727 C CD1 . TRP C 58 ? 0.1916 0.3164 0.3045 -0.0223 0.0268 -0.0546 57 TRP C CD1 6728 C CD2 . TRP C 58 ? 0.1975 0.3103 0.2996 -0.0244 0.0227 -0.0478 57 TRP C CD2 6729 N NE1 . TRP C 58 ? 0.1961 0.3075 0.2964 -0.0200 0.0247 -0.0472 57 TRP C NE1 6730 C CE2 . TRP C 58 ? 0.1955 0.2995 0.2892 -0.0211 0.0223 -0.0430 57 TRP C CE2 6731 C CE3 . TRP C 58 ? 0.1970 0.3042 0.2941 -0.0262 0.0206 -0.0450 57 TRP C CE3 6732 C CZ2 . TRP C 58 ? 0.2016 0.2927 0.2836 -0.0195 0.0199 -0.0360 57 TRP C CZ2 6733 C CZ3 . TRP C 58 ? 0.2091 0.3030 0.2941 -0.0244 0.0184 -0.0380 57 TRP C CZ3 6734 C CH2 . TRP C 58 ? 0.2015 0.2881 0.2797 -0.0210 0.0180 -0.0337 57 TRP C CH2 6735 N N . ILE C 59 ? 0.1808 0.3213 0.3145 -0.0180 0.0104 -0.0606 58 ILE C N 6736 C CA A ILE C 59 ? 0.1826 0.3150 0.3103 -0.0131 0.0034 -0.0557 58 ILE C CA 6737 C CA B ILE C 59 ? 0.1834 0.3159 0.3111 -0.0131 0.0034 -0.0557 58 ILE C CA 6738 C C . ILE C 59 ? 0.1841 0.3230 0.3208 -0.0047 -0.0043 -0.0588 58 ILE C C 6739 O O . ILE C 59 ? 0.1713 0.3014 0.3012 0.0014 -0.0093 -0.0541 58 ILE C O 6740 C CB A ILE C 59 ? 0.1940 0.3246 0.3190 -0.0183 0.0034 -0.0556 58 ILE C CB 6741 C CB B ILE C 59 ? 0.1954 0.3265 0.3210 -0.0182 0.0032 -0.0559 58 ILE C CB 6742 C CG1 A ILE C 59 ? 0.2041 0.3237 0.3163 -0.0255 0.0099 -0.0511 58 ILE C CG1 6743 C CG1 B ILE C 59 ? 0.2070 0.3277 0.3203 -0.0255 0.0094 -0.0517 58 ILE C CG1 6744 C CG2 A ILE C 59 ? 0.1985 0.3226 0.3189 -0.0128 -0.0040 -0.0521 58 ILE C CG2 6745 C CG2 B ILE C 59 ? 0.2001 0.3240 0.3203 -0.0128 -0.0040 -0.0520 58 ILE C CG2 6746 C CD1 A ILE C 59 ? 0.2094 0.3262 0.3181 -0.0317 0.0111 -0.0514 58 ILE C CD1 6747 C CD1 B ILE C 59 ? 0.2062 0.3126 0.3061 -0.0226 0.0088 -0.0438 58 ILE C CD1 6748 N N . ASP C 60 ? 0.1704 0.3243 0.3225 -0.0044 -0.0053 -0.0671 59 ASP C N 6749 C CA . ASP C 60 ? 0.1788 0.3384 0.3395 0.0040 -0.0137 -0.0707 59 ASP C CA 6750 C C . ASP C 60 ? 0.1796 0.3351 0.3383 0.0109 -0.0156 -0.0688 59 ASP C C 6751 O O . ASP C 60 ? 0.2004 0.3524 0.3584 0.0188 -0.0235 -0.0681 59 ASP C O 6752 C CB . ASP C 60 ? 0.1891 0.3673 0.3687 0.0033 -0.0146 -0.0811 59 ASP C CB 6753 C CG . ASP C 60 ? 0.2076 0.3899 0.3945 0.0122 -0.0255 -0.0846 59 ASP C CG 6754 O OD1 . ASP C 60 ? 0.2279 0.4005 0.4056 0.0146 -0.0315 -0.0801 59 ASP C OD1 6755 O OD2 . ASP C 60 ? 0.2159 0.4105 0.4172 0.0170 -0.0283 -0.0920 59 ASP C OD2 6756 N N . ASN C 61 ? 0.1738 0.3285 0.3304 0.0080 -0.0087 -0.0679 60 ASN C N 6757 C CA . ASN C 61 ? 0.1703 0.3208 0.3246 0.0138 -0.0098 -0.0663 60 ASN C CA 6758 C C . ASN C 61 ? 0.1768 0.3109 0.3149 0.0148 -0.0099 -0.0571 60 ASN C C 6759 O O . ASN C 61 ? 0.1833 0.3111 0.3177 0.0210 -0.0140 -0.0548 60 ASN C O 6760 C CB . ASN C 61 ? 0.1705 0.3292 0.3313 0.0103 -0.0024 -0.0709 60 ASN C CB 6761 C CG . ASN C 61 ? 0.1736 0.3501 0.3530 0.0114 -0.0027 -0.0812 60 ASN C CG 6762 O OD1 . ASN C 61 ? 0.1731 0.3546 0.3607 0.0183 -0.0107 -0.0848 60 ASN C OD1 6763 N ND2 . ASN C 61 ? 0.1682 0.3538 0.3539 0.0047 0.0055 -0.0864 60 ASN C ND2 6764 N N . ILE C 62 ? 0.1804 0.3075 0.3091 0.0086 -0.0054 -0.0524 61 ILE C N 6765 C CA . ILE C 62 ? 0.1867 0.3000 0.3019 0.0090 -0.0047 -0.0448 61 ILE C CA 6766 C C . ILE C 62 ? 0.1916 0.2954 0.2985 0.0112 -0.0094 -0.0398 61 ILE C C 6767 O O . ILE C 62 ? 0.2024 0.2955 0.2995 0.0126 -0.0097 -0.0342 61 ILE C O 6768 C CB . ILE C 62 ? 0.2075 0.3169 0.3159 0.0020 0.0025 -0.0424 61 ILE C CB 6769 C CG1 . ILE C 62 ? 0.2242 0.3230 0.3227 0.0038 0.0031 -0.0367 61 ILE C CG1 6770 C CG2 . ILE C 62 ? 0.2070 0.3129 0.3104 -0.0032 0.0038 -0.0405 61 ILE C CG2 6771 C CD1 . ILE C 62 ? 0.2472 0.3420 0.3390 -0.0018 0.0092 -0.0351 61 ILE C CD1 6772 N N . ARG C 63 ? 0.1859 0.2934 0.2965 0.0110 -0.0128 -0.0421 62 ARG C N 6773 C CA . ARG C 63 ? 0.1952 0.2936 0.2976 0.0133 -0.0175 -0.0381 62 ARG C CA 6774 C C . ARG C 63 ? 0.1968 0.2891 0.2957 0.0205 -0.0230 -0.0364 62 ARG C C 6775 O O . ARG C 63 ? 0.1799 0.2775 0.2858 0.0247 -0.0255 -0.0401 62 ARG C O 6776 C CB . ARG C 63 ? 0.2095 0.3136 0.3169 0.0121 -0.0208 -0.0417 62 ARG C CB 6777 C CG . ARG C 63 ? 0.2258 0.3394 0.3443 0.0173 -0.0269 -0.0479 62 ARG C CG 6778 C CD . ARG C 63 ? 0.2571 0.3793 0.3833 0.0149 -0.0294 -0.0529 62 ARG C CD 6779 N NE . ARG C 63 ? 0.2759 0.4094 0.4153 0.0202 -0.0353 -0.0601 62 ARG C NE 6780 C CZ . ARG C 63 ? 0.3038 0.4343 0.4422 0.0271 -0.0444 -0.0609 62 ARG C CZ 6781 N NH1 . ARG C 63 ? 0.3183 0.4344 0.4424 0.0292 -0.0481 -0.0550 62 ARG C NH1 6782 N NH2 . ARG C 63 ? 0.3296 0.4713 0.4812 0.0322 -0.0499 -0.0683 62 ARG C NH2 6783 N N . LEU C 64 ? 0.2118 0.2920 0.2993 0.0215 -0.0246 -0.0309 63 LEU C N 6784 C CA . LEU C 64 ? 0.2173 0.2894 0.2989 0.0274 -0.0302 -0.0292 63 LEU C CA 6785 C C . LEU C 64 ? 0.2276 0.2979 0.3073 0.0295 -0.0365 -0.0305 63 LEU C C 6786 O O . LEU C 64 ? 0.2318 0.3025 0.3100 0.0257 -0.0354 -0.0301 63 LEU C O 6787 C CB . LEU C 64 ? 0.2125 0.2723 0.2824 0.0267 -0.0277 -0.0231 63 LEU C CB 6788 C CG . LEU C 64 ? 0.2171 0.2765 0.2871 0.0255 -0.0229 -0.0215 63 LEU C CG 6789 C CD1 . LEU C 64 ? 0.2298 0.2782 0.2894 0.0246 -0.0210 -0.0162 63 LEU C CD1 6790 C CD2 . LEU C 64 ? 0.2217 0.2835 0.2962 0.0302 -0.0253 -0.0242 63 LEU C CD2 6791 N N . VAL C 65 ? 0.2310 0.2984 0.3099 0.0357 -0.0433 -0.0320 64 VAL C N 6792 C CA . VAL C 65 ? 0.2578 0.3204 0.3319 0.0386 -0.0505 -0.0328 64 VAL C CA 6793 C C . VAL C 65 ? 0.2702 0.3154 0.3274 0.0399 -0.0516 -0.0268 64 VAL C C 6794 O O . VAL C 65 ? 0.2857 0.3235 0.3375 0.0428 -0.0520 -0.0247 64 VAL C O 6795 C CB . VAL C 65 ? 0.2873 0.3553 0.3692 0.0454 -0.0584 -0.0383 64 VAL C CB 6796 C CG1 . VAL C 65 ? 0.3059 0.3670 0.3810 0.0492 -0.0671 -0.0389 64 VAL C CG1 6797 C CG2 . VAL C 65 ? 0.2870 0.3736 0.3872 0.0438 -0.0567 -0.0453 64 VAL C CG2 6798 N N . TYR C 66 ? 0.2766 0.3152 0.3251 0.0372 -0.0515 -0.0243 65 TYR C N 6799 C CA . TYR C 66 ? 0.2839 0.3062 0.3161 0.0376 -0.0518 -0.0193 65 TYR C CA 6800 C C . TYR C 66 ? 0.3162 0.3296 0.3401 0.0429 -0.0609 -0.0203 65 TYR C C 6801 O O . TYR C 66 ? 0.3217 0.3387 0.3479 0.0436 -0.0658 -0.0232 65 TYR C O 6802 C CB . TYR C 66 ? 0.2838 0.3023 0.3098 0.0321 -0.0466 -0.0162 65 TYR C CB 6803 C CG . TYR C 66 ? 0.2837 0.2868 0.2945 0.0317 -0.0447 -0.0115 65 TYR C CG 6804 C CD1 . TYR C 66 ? 0.2737 0.2739 0.2828 0.0300 -0.0389 -0.0087 65 TYR C CD1 6805 C CD2 . TYR C 66 ? 0.2920 0.2833 0.2896 0.0327 -0.0487 -0.0104 65 TYR C CD2 6806 C CE1 . TYR C 66 ? 0.2764 0.2635 0.2724 0.0289 -0.0366 -0.0052 65 TYR C CE1 6807 C CE2 . TYR C 66 ? 0.2964 0.2734 0.2795 0.0315 -0.0460 -0.0065 65 TYR C CE2 6808 C CZ . TYR C 66 ? 0.2904 0.2658 0.2733 0.0294 -0.0397 -0.0041 65 TYR C CZ 6809 O OH . TYR C 66 ? 0.3142 0.2761 0.2836 0.0276 -0.0365 -0.0010 65 TYR C OH 6810 N N . ASN C 67 ? 0.3337 0.3348 0.3473 0.0465 -0.0634 -0.0180 66 ASN C N 6811 C CA . ASN C 67 ? 0.3753 0.3646 0.3779 0.0518 -0.0724 -0.0184 66 ASN C CA 6812 C C . ASN C 67 ? 0.3853 0.3570 0.3683 0.0490 -0.0705 -0.0134 66 ASN C C 6813 O O . ASN C 67 ? 0.3836 0.3454 0.3574 0.0470 -0.0656 -0.0096 66 ASN C O 6814 C CB . ASN C 67 ? 0.3911 0.3767 0.3938 0.0576 -0.0765 -0.0194 66 ASN C CB 6815 C CG . ASN C 67 ? 0.4381 0.4091 0.4279 0.0641 -0.0869 -0.0197 66 ASN C CG 6816 O OD1 . ASN C 67 ? 0.4381 0.3956 0.4123 0.0632 -0.0892 -0.0171 66 ASN C OD1 6817 N ND2 . ASN C 67 ? 0.4778 0.4508 0.4733 0.0709 -0.0933 -0.0232 66 ASN C ND2 6818 N N . LYS C 68 ? 0.4167 0.3848 0.3936 0.0484 -0.0742 -0.0139 67 LYS C N 6819 C CA . LYS C 68 ? 0.4608 0.4128 0.4190 0.0451 -0.0717 -0.0098 67 LYS C CA 6820 C C . LYS C 68 ? 0.4925 0.4240 0.4312 0.0481 -0.0756 -0.0070 67 LYS C C 6821 O O . LYS C 68 ? 0.5292 0.4471 0.4528 0.0442 -0.0706 -0.0032 67 LYS C O 6822 C CB . LYS C 68 ? 0.4890 0.4414 0.4446 0.0441 -0.0754 -0.0115 67 LYS C CB 6823 C CG . LYS C 68 ? 0.5108 0.4794 0.4812 0.0397 -0.0706 -0.0136 67 LYS C CG 6824 C CD . LYS C 68 ? 0.5533 0.5208 0.5199 0.0391 -0.0755 -0.0157 67 LYS C CD 6825 C CE . LYS C 68 ? 0.5845 0.5639 0.5616 0.0337 -0.0697 -0.0170 67 LYS C CE 6826 N NZ . LYS C 68 ? 0.5965 0.5946 0.5938 0.0339 -0.0703 -0.0215 67 LYS C NZ 6827 N N . THR C 69 ? 0.5020 0.4307 0.4406 0.0548 -0.0845 -0.0091 68 THR C N 6828 C CA . THR C 69 ? 0.5237 0.4309 0.4423 0.0581 -0.0891 -0.0065 68 THR C CA 6829 C C . THR C 69 ? 0.5167 0.4183 0.4321 0.0556 -0.0818 -0.0033 68 THR C C 6830 O O . THR C 69 ? 0.5594 0.4434 0.4565 0.0525 -0.0783 0.0005 68 THR C O 6831 C CB . THR C 69 ? 0.5503 0.4569 0.4715 0.0670 -0.1015 -0.0103 68 THR C CB 6832 O OG1 . THR C 69 ? 0.5588 0.4730 0.4856 0.0691 -0.1086 -0.0142 68 THR C OG1 6833 C CG2 . THR C 69 ? 0.5834 0.4647 0.4810 0.0707 -0.1075 -0.0074 68 THR C CG2 6834 N N . SER C 70 ? 0.4897 0.4060 0.4225 0.0568 -0.0794 -0.0053 69 SER C N 6835 C CA . SER C 70 ? 0.4501 0.3627 0.3814 0.0545 -0.0729 -0.0028 69 SER C CA 6836 C C . SER C 70 ? 0.4367 0.3556 0.3722 0.0468 -0.0616 -0.0006 69 SER C C 6837 O O . SER C 70 ? 0.4182 0.3328 0.3509 0.0440 -0.0557 0.0015 69 SER C O 6838 C CB . SER C 70 ? 0.4479 0.3731 0.3955 0.0590 -0.0750 -0.0062 69 SER C CB 6839 O OG . SER C 70 ? 0.4190 0.3659 0.3870 0.0576 -0.0723 -0.0095 69 SER C OG 6840 N N . ARG C 71 ? 0.4082 0.3374 0.3509 0.0437 -0.0590 -0.0015 70 ARG C N 6841 C CA . ARG C 71 ? 0.4084 0.3460 0.3580 0.0375 -0.0493 -0.0002 70 ARG C CA 6842 C C . ARG C 71 ? 0.3843 0.3334 0.3479 0.0372 -0.0452 -0.0010 70 ARG C C 6843 O O . ARG C 71 ? 0.3785 0.3261 0.3412 0.0335 -0.0385 0.0009 70 ARG C O 6844 C CB . ARG C 71 ? 0.4348 0.3580 0.3687 0.0326 -0.0432 0.0032 70 ARG C CB 6845 C CG . ARG C 71 ? 0.4555 0.3658 0.3736 0.0321 -0.0462 0.0040 70 ARG C CG 6846 C CD . ARG C 71 ? 0.4555 0.3764 0.3814 0.0303 -0.0455 0.0024 70 ARG C CD 6847 N NE . ARG C 71 ? 0.4346 0.3619 0.3662 0.0249 -0.0361 0.0032 70 ARG C NE 6848 C CZ . ARG C 71 ? 0.4355 0.3557 0.3578 0.0207 -0.0310 0.0044 70 ARG C CZ 6849 N NH1 . ARG C 71 ? 0.4337 0.3391 0.3388 0.0205 -0.0337 0.0052 70 ARG C NH1 6850 N NH2 . ARG C 71 ? 0.4295 0.3574 0.3597 0.0169 -0.0233 0.0044 70 ARG C NH2 6851 N N . ALA C 72 ? 0.3637 0.3247 0.3404 0.0411 -0.0494 -0.0043 71 ALA C N 6852 C CA . ALA C 72 ? 0.3422 0.3136 0.3313 0.0413 -0.0463 -0.0055 71 ALA C CA 6853 C C . ALA C 72 ? 0.3339 0.3224 0.3396 0.0428 -0.0482 -0.0098 71 ALA C C 6854 O O . ALA C 72 ? 0.3381 0.3295 0.3458 0.0451 -0.0538 -0.0124 71 ALA C O 6855 C CB . ALA C 72 ? 0.3539 0.3164 0.3377 0.0456 -0.0499 -0.0055 71 ALA C CB 6856 N N . THR C 73 ? 0.3158 0.3155 0.3331 0.0410 -0.0435 -0.0109 72 THR C N 6857 C CA . THR C 73 ? 0.3028 0.3182 0.3351 0.0414 -0.0441 -0.0153 72 THR C CA 6858 C C . THR C 73 ? 0.3129 0.3326 0.3522 0.0467 -0.0482 -0.0189 72 THR C C 6859 O O . THR C 73 ? 0.3240 0.3356 0.3577 0.0490 -0.0486 -0.0174 72 THR C O 6860 C CB . THR C 73 ? 0.2902 0.3150 0.3302 0.0362 -0.0365 -0.0148 72 THR C CB 6861 O OG1 . THR C 73 ? 0.2705 0.2920 0.3086 0.0352 -0.0324 -0.0126 72 THR C OG1 6862 C CG2 . THR C 73 ? 0.2929 0.3154 0.3283 0.0317 -0.0334 -0.0124 72 THR C CG2 6863 N N . GLN C 74 ? 0.3006 0.3332 0.3524 0.0484 -0.0509 -0.0241 73 GLN C N 6864 C CA . GLN C 74 ? 0.3112 0.3513 0.3731 0.0532 -0.0538 -0.0288 73 GLN C CA 6865 C C . GLN C 74 ? 0.2797 0.3378 0.3578 0.0502 -0.0500 -0.0337 73 GLN C C 6866 O O . GLN C 74 ? 0.2787 0.3419 0.3590 0.0452 -0.0469 -0.0335 73 GLN C O 6867 C CB . GLN C 74 ? 0.3601 0.3949 0.4193 0.0605 -0.0639 -0.0315 73 GLN C CB 6868 C CG . GLN C 74 ? 0.3917 0.4264 0.4487 0.0602 -0.0684 -0.0322 73 GLN C CG 6869 C CD . GLN C 74 ? 0.4358 0.4608 0.4855 0.0676 -0.0793 -0.0337 73 GLN C CD 6870 O OE1 . GLN C 74 ? 0.4579 0.4647 0.4903 0.0692 -0.0819 -0.0292 73 GLN C OE1 6871 N NE2 . GLN C 74 ? 0.4410 0.4777 0.5034 0.0719 -0.0856 -0.0403 73 GLN C NE2 6872 N N . PHE C 75 ? 0.2539 0.3209 0.3425 0.0528 -0.0497 -0.0382 74 PHE C N 6873 C CA . PHE C 75 ? 0.2442 0.3280 0.3477 0.0495 -0.0455 -0.0435 74 PHE C CA 6874 C C . PHE C 75 ? 0.2518 0.3456 0.3658 0.0526 -0.0517 -0.0498 74 PHE C C 6875 O O . PHE C 75 ? 0.2546 0.3425 0.3652 0.0589 -0.0600 -0.0507 74 PHE C O 6876 C CB . PHE C 75 ? 0.2412 0.3310 0.3521 0.0508 -0.0422 -0.0466 74 PHE C CB 6877 C CG . PHE C 75 ? 0.2476 0.3273 0.3487 0.0490 -0.0376 -0.0411 74 PHE C CG 6878 C CD1 . PHE C 75 ? 0.2529 0.3253 0.3445 0.0436 -0.0330 -0.0351 74 PHE C CD1 6879 C CD2 . PHE C 75 ? 0.2542 0.3320 0.3562 0.0530 -0.0380 -0.0426 74 PHE C CD2 6880 C CE1 . PHE C 75 ? 0.2637 0.3282 0.3478 0.0421 -0.0293 -0.0310 74 PHE C CE1 6881 C CE2 . PHE C 75 ? 0.2713 0.3404 0.3650 0.0511 -0.0341 -0.0382 74 PHE C CE2 6882 C CZ . PHE C 75 ? 0.2731 0.3360 0.3583 0.0456 -0.0298 -0.0325 74 PHE C CZ 6883 N N . PRO C 76 ? 0.2434 0.3516 0.3693 0.0478 -0.0478 -0.0544 75 PRO C N 6884 C CA . PRO C 76 ? 0.2544 0.3743 0.3927 0.0505 -0.0536 -0.0616 75 PRO C CA 6885 C C . PRO C 76 ? 0.2595 0.3855 0.4079 0.0586 -0.0594 -0.0679 75 PRO C C 6886 O O . PRO C 76 ? 0.2498 0.3746 0.3986 0.0603 -0.0564 -0.0678 75 PRO C O 6887 C CB . PRO C 76 ? 0.2487 0.3828 0.3979 0.0425 -0.0460 -0.0655 75 PRO C CB 6888 C CG . PRO C 76 ? 0.2418 0.3666 0.3789 0.0357 -0.0385 -0.0580 75 PRO C CG 6889 C CD . PRO C 76 ? 0.2382 0.3512 0.3654 0.0394 -0.0384 -0.0530 75 PRO C CD 6890 N N . ASP C 77 ? 0.2720 0.4037 0.4281 0.0640 -0.0681 -0.0735 76 ASP C N 6891 C CA . ASP C 77 ? 0.2904 0.4279 0.4568 0.0728 -0.0749 -0.0803 76 ASP C CA 6892 C C . ASP C 77 ? 0.2629 0.4164 0.4452 0.0707 -0.0676 -0.0866 76 ASP C C 6893 O O . ASP C 77 ? 0.2469 0.4143 0.4399 0.0635 -0.0608 -0.0904 76 ASP C O 6894 C CB . ASP C 77 ? 0.3454 0.4914 0.5219 0.0778 -0.0848 -0.0871 76 ASP C CB 6895 C CG . ASP C 77 ? 0.4049 0.5338 0.5646 0.0814 -0.0937 -0.0817 76 ASP C CG 6896 O OD1 . ASP C 77 ? 0.4906 0.6005 0.6315 0.0819 -0.0933 -0.0735 76 ASP C OD1 6897 O OD2 . ASP C 77 ? 0.4734 0.6076 0.6384 0.0832 -0.1008 -0.0859 76 ASP C OD2 6898 N N . GLY C 78 ? 0.2446 0.3947 0.4270 0.0765 -0.0688 -0.0876 77 GLY C N 6899 C CA . GLY C 78 ? 0.2399 0.4035 0.4361 0.0754 -0.0623 -0.0939 77 GLY C CA 6900 C C . GLY C 78 ? 0.2341 0.3968 0.4251 0.0662 -0.0501 -0.0895 77 GLY C C 6901 O O . GLY C 78 ? 0.2402 0.4154 0.4425 0.0632 -0.0431 -0.0952 77 GLY C O 6902 N N . VAL C 79 ? 0.2213 0.3693 0.3952 0.0618 -0.0474 -0.0800 78 VAL C N 6903 C CA . VAL C 79 ? 0.2173 0.3627 0.3849 0.0539 -0.0372 -0.0756 78 VAL C CA 6904 C C . VAL C 79 ? 0.2264 0.3553 0.3794 0.0565 -0.0375 -0.0686 78 VAL C C 6905 O O . VAL C 79 ? 0.2251 0.3405 0.3664 0.0596 -0.0431 -0.0633 78 VAL C O 6906 C CB . VAL C 79 ? 0.2112 0.3543 0.3722 0.0457 -0.0329 -0.0708 78 VAL C CB 6907 C CG1 . VAL C 79 ? 0.2105 0.3491 0.3638 0.0384 -0.0236 -0.0662 78 VAL C CG1 6908 C CG2 . VAL C 79 ? 0.2154 0.3739 0.3900 0.0421 -0.0322 -0.0776 78 VAL C CG2 6909 N N . ASP C 80 ? 0.2341 0.3639 0.3875 0.0547 -0.0315 -0.0690 79 ASP C N 6910 C CA . ASP C 80 ? 0.2585 0.3734 0.3976 0.0546 -0.0299 -0.0620 79 ASP C CA 6911 C C . ASP C 80 ? 0.2336 0.3481 0.3678 0.0461 -0.0210 -0.0584 79 ASP C C 6912 O O . ASP C 80 ? 0.2206 0.3459 0.3628 0.0417 -0.0149 -0.0627 79 ASP C O 6913 C CB . ASP C 80 ? 0.2940 0.4065 0.4346 0.0606 -0.0317 -0.0647 79 ASP C CB 6914 C CG . ASP C 80 ? 0.3468 0.4425 0.4719 0.0606 -0.0314 -0.0573 79 ASP C CG 6915 O OD1 . ASP C 80 ? 0.3533 0.4369 0.4675 0.0615 -0.0355 -0.0517 79 ASP C OD1 6916 O OD2 . ASP C 80 ? 0.3824 0.4770 0.5060 0.0588 -0.0265 -0.0571 79 ASP C OD2 6917 N N . VAL C 81 ? 0.2434 0.3449 0.3641 0.0439 -0.0202 -0.0507 80 VAL C N 6918 C CA . VAL C 81 ? 0.2337 0.3326 0.3482 0.0369 -0.0132 -0.0468 80 VAL C CA 6919 C C . VAL C 81 ? 0.2446 0.3323 0.3495 0.0380 -0.0127 -0.0424 80 VAL C C 6920 O O . VAL C 81 ? 0.2569 0.3344 0.3545 0.0414 -0.0170 -0.0387 80 VAL C O 6921 C CB . VAL C 81 ? 0.2391 0.3345 0.3476 0.0321 -0.0122 -0.0422 80 VAL C CB 6922 C CG1 . VAL C 81 ? 0.2337 0.3253 0.3353 0.0259 -0.0060 -0.0384 80 VAL C CG1 6923 C CG2 . VAL C 81 ? 0.2322 0.3383 0.3497 0.0301 -0.0124 -0.0466 80 VAL C CG2 6924 N N . ARG C 82 ? 0.2225 0.3117 0.3272 0.0352 -0.0075 -0.0433 81 ARG C N 6925 C CA . ARG C 82 ? 0.2296 0.3092 0.3261 0.0359 -0.0069 -0.0398 81 ARG C CA 6926 C C . ARG C 82 ? 0.2082 0.2853 0.2985 0.0296 -0.0015 -0.0365 81 ARG C C 6927 O O . ARG C 82 ? 0.1965 0.2795 0.2890 0.0249 0.0025 -0.0379 81 ARG C O 6928 C CB . ARG C 82 ? 0.2492 0.3308 0.3503 0.0403 -0.0075 -0.0445 81 ARG C CB 6929 C CG . ARG C 82 ? 0.2892 0.3798 0.3960 0.0371 -0.0015 -0.0493 81 ARG C CG 6930 C CD . ARG C 82 ? 0.3256 0.4168 0.4358 0.0417 -0.0019 -0.0537 81 ARG C CD 6931 N NE . ARG C 82 ? 0.3611 0.4611 0.4763 0.0378 0.0047 -0.0587 81 ARG C NE 6932 C CZ . ARG C 82 ? 0.4026 0.5081 0.5246 0.0409 0.0062 -0.0652 81 ARG C CZ 6933 N NH1 . ARG C 82 ? 0.3800 0.4829 0.5049 0.0485 0.0008 -0.0674 81 ARG C NH1 6934 N NH2 . ARG C 82 ? 0.4155 0.5284 0.5406 0.0361 0.0133 -0.0695 81 ARG C NH2 6935 N N . VAL C 83 ? 0.1997 0.2673 0.2819 0.0295 -0.0018 -0.0324 82 VAL C N 6936 C CA . VAL C 83 ? 0.2029 0.2666 0.2785 0.0246 0.0016 -0.0290 82 VAL C CA 6937 C C . VAL C 83 ? 0.1998 0.2628 0.2741 0.0245 0.0040 -0.0311 82 VAL C C 6938 O O . VAL C 83 ? 0.2133 0.2709 0.2855 0.0277 0.0018 -0.0307 82 VAL C O 6939 C CB . VAL C 83 ? 0.2037 0.2582 0.2721 0.0246 -0.0005 -0.0236 82 VAL C CB 6940 C CG1 . VAL C 83 ? 0.2074 0.2585 0.2702 0.0205 0.0020 -0.0209 82 VAL C CG1 6941 C CG2 . VAL C 83 ? 0.2140 0.2683 0.2826 0.0249 -0.0028 -0.0217 82 VAL C CG2 6942 N N . PRO C 84 ? 0.1990 0.2665 0.2738 0.0207 0.0086 -0.0335 83 PRO C N 6943 C CA . PRO C 84 ? 0.2032 0.2692 0.2757 0.0203 0.0111 -0.0357 83 PRO C CA 6944 C C . PRO C 84 ? 0.2070 0.2642 0.2698 0.0178 0.0110 -0.0312 83 PRO C C 6945 O O . PRO C 84 ? 0.2034 0.2574 0.2624 0.0157 0.0102 -0.0273 83 PRO C O 6946 C CB . PRO C 84 ? 0.2054 0.2787 0.2805 0.0163 0.0165 -0.0399 83 PRO C CB 6947 C CG . PRO C 84 ? 0.2058 0.2800 0.2796 0.0125 0.0171 -0.0374 83 PRO C CG 6948 C CD . PRO C 84 ? 0.2011 0.2747 0.2781 0.0163 0.0120 -0.0350 83 PRO C CD 6949 N N . GLY C 85 ? 0.2025 0.2562 0.2622 0.0185 0.0117 -0.0324 84 GLY C N 6950 C CA . GLY C 85 ? 0.2084 0.2552 0.2595 0.0155 0.0120 -0.0295 84 GLY C CA 6951 C C . GLY C 85 ? 0.2004 0.2406 0.2484 0.0166 0.0082 -0.0254 84 GLY C C 6952 O O . GLY C 85 ? 0.2001 0.2360 0.2424 0.0141 0.0077 -0.0230 84 GLY C O 6953 N N . PHE C 86 ? 0.1953 0.2344 0.2467 0.0201 0.0054 -0.0249 85 PHE C N 6954 C CA . PHE C 86 ? 0.1982 0.2309 0.2465 0.0204 0.0028 -0.0216 85 PHE C CA 6955 C C . PHE C 86 ? 0.2050 0.2330 0.2493 0.0197 0.0028 -0.0224 85 PHE C C 6956 O O . PHE C 86 ? 0.1962 0.2237 0.2408 0.0216 0.0035 -0.0254 85 PHE C O 6957 C CB . PHE C 86 ? 0.2030 0.2331 0.2532 0.0238 0.0002 -0.0210 85 PHE C CB 6958 C CG . PHE C 86 ? 0.2014 0.2252 0.2482 0.0227 -0.0012 -0.0177 85 PHE C CG 6959 C CD1 . PHE C 86 ? 0.2024 0.2266 0.2492 0.0211 -0.0015 -0.0149 85 PHE C CD1 6960 C CD2 . PHE C 86 ? 0.2050 0.2226 0.2487 0.0227 -0.0018 -0.0178 85 PHE C CD2 6961 C CE1 . PHE C 86 ? 0.2016 0.2210 0.2461 0.0196 -0.0020 -0.0127 85 PHE C CE1 6962 C CE2 . PHE C 86 ? 0.2063 0.2189 0.2475 0.0208 -0.0024 -0.0155 85 PHE C CE2 6963 C CZ . PHE C 86 ? 0.2057 0.2197 0.2478 0.0192 -0.0022 -0.0131 85 PHE C CZ 6964 N N . GLY C 87 ? 0.1974 0.2222 0.2382 0.0172 0.0020 -0.0201 86 GLY C N 6965 C CA . GLY C 87 ? 0.2149 0.2356 0.2520 0.0162 0.0015 -0.0210 86 GLY C CA 6966 C C . GLY C 87 ? 0.2293 0.2505 0.2619 0.0141 0.0031 -0.0224 86 GLY C C 6967 O O . GLY C 87 ? 0.2499 0.2673 0.2783 0.0129 0.0021 -0.0229 86 GLY C O 6968 N N . LYS C 88 ? 0.2202 0.2453 0.2528 0.0131 0.0054 -0.0229 87 LYS C N 6969 C CA . LYS C 88 ? 0.2429 0.2670 0.2692 0.0102 0.0075 -0.0239 87 LYS C CA 6970 C C . LYS C 88 ? 0.2261 0.2497 0.2498 0.0080 0.0068 -0.0210 87 LYS C C 6971 O O . LYS C 88 ? 0.2161 0.2406 0.2435 0.0090 0.0046 -0.0185 87 LYS C O 6972 C CB . LYS C 88 ? 0.2680 0.2968 0.2964 0.0101 0.0118 -0.0277 87 LYS C CB 6973 C CG . LYS C 88 ? 0.3066 0.3370 0.3397 0.0135 0.0123 -0.0312 87 LYS C CG 6974 C CD . LYS C 88 ? 0.3556 0.3801 0.3831 0.0133 0.0115 -0.0321 87 LYS C CD 6975 C CE . LYS C 88 ? 0.4076 0.4327 0.4390 0.0169 0.0121 -0.0360 87 LYS C CE 6976 N NZ . LYS C 88 ? 0.4234 0.4415 0.4499 0.0170 0.0102 -0.0361 87 LYS C NZ 6977 N N . THR C 89 ? 0.2268 0.2476 0.2429 0.0050 0.0086 -0.0212 88 THR C N 6978 C CA . THR C 89 ? 0.2329 0.2512 0.2448 0.0031 0.0074 -0.0183 88 THR C CA 6979 C C . THR C 89 ? 0.2249 0.2445 0.2341 0.0000 0.0117 -0.0193 88 THR C C 6980 O O . THR C 89 ? 0.2283 0.2462 0.2351 -0.0013 0.0111 -0.0171 88 THR C O 6981 C CB . THR C 89 ? 0.2527 0.2630 0.2551 0.0020 0.0040 -0.0168 88 THR C CB 6982 O OG1 . THR C 89 ? 0.2753 0.2811 0.2685 -0.0004 0.0064 -0.0188 88 THR C OG1 6983 C CG2 . THR C 89 ? 0.2593 0.2693 0.2657 0.0044 -0.0002 -0.0164 88 THR C CG2 6984 N N . PHE C 90 ? 0.2282 0.2511 0.2381 -0.0011 0.0162 -0.0230 89 PHE C N 6985 C CA . PHE C 90 ? 0.2374 0.2616 0.2443 -0.0052 0.0212 -0.0247 89 PHE C CA 6986 C C . PHE C 90 ? 0.2285 0.2579 0.2419 -0.0053 0.0214 -0.0237 89 PHE C C 6987 O O . PHE C 90 ? 0.2319 0.2586 0.2396 -0.0094 0.0238 -0.0231 89 PHE C O 6988 C CB . PHE C 90 ? 0.2589 0.2884 0.2687 -0.0061 0.0265 -0.0301 89 PHE C CB 6989 C CG . PHE C 90 ? 0.2643 0.3039 0.2882 -0.0020 0.0266 -0.0330 89 PHE C CG 6990 C CD1 . PHE C 90 ? 0.2794 0.3272 0.3115 -0.0026 0.0289 -0.0350 89 PHE C CD1 6991 C CD2 . PHE C 90 ? 0.2791 0.3194 0.3074 0.0023 0.0242 -0.0341 89 PHE C CD2 6992 C CE1 . PHE C 90 ? 0.2736 0.3300 0.3181 0.0016 0.0279 -0.0380 89 PHE C CE1 6993 C CE2 . PHE C 90 ? 0.2746 0.3222 0.3141 0.0065 0.0236 -0.0369 89 PHE C CE2 6994 C CZ . PHE C 90 ? 0.2773 0.3331 0.3251 0.0065 0.0251 -0.0388 89 PHE C CZ 6995 N N . SER C 91 ? 0.2115 0.2470 0.2355 -0.0013 0.0190 -0.0235 90 SER C N 6996 C CA . SER C 91 ? 0.2155 0.2565 0.2462 -0.0012 0.0192 -0.0233 90 SER C CA 6997 C C . SER C 91 ? 0.2175 0.2536 0.2444 -0.0017 0.0162 -0.0189 90 SER C C 6998 O O . SER C 91 ? 0.2059 0.2449 0.2359 -0.0027 0.0168 -0.0185 90 SER C O 6999 C CB . SER C 91 ? 0.2069 0.2550 0.2488 0.0032 0.0175 -0.0250 90 SER C CB 7000 O OG . SER C 91 ? 0.2104 0.2553 0.2532 0.0067 0.0131 -0.0220 90 SER C OG 7001 N N . LEU C 92 ? 0.2116 0.2409 0.2329 -0.0007 0.0128 -0.0160 91 LEU C N 7002 C CA A LEU C 92 ? 0.2119 0.2360 0.2289 -0.0011 0.0100 -0.0126 91 LEU C CA 7003 C CA B LEU C 92 ? 0.2161 0.2399 0.2328 -0.0010 0.0097 -0.0125 91 LEU C CA 7004 C C . LEU C 92 ? 0.2266 0.2415 0.2308 -0.0044 0.0101 -0.0114 91 LEU C C 7005 O O . LEU C 92 ? 0.2323 0.2421 0.2317 -0.0051 0.0083 -0.0090 91 LEU C O 7006 C CB A LEU C 92 ? 0.2079 0.2319 0.2294 0.0025 0.0056 -0.0105 91 LEU C CB 7007 C CB B LEU C 92 ? 0.2201 0.2418 0.2384 0.0022 0.0053 -0.0108 91 LEU C CB 7008 C CG A LEU C 92 ? 0.2060 0.2298 0.2296 0.0048 0.0035 -0.0110 91 LEU C CG 7009 C CG B LEU C 92 ? 0.2180 0.2441 0.2452 0.0054 0.0035 -0.0103 91 LEU C CG 7010 C CD1 A LEU C 92 ? 0.2141 0.2312 0.2289 0.0036 0.0018 -0.0106 91 LEU C CD1 7011 C CD1 B LEU C 92 ? 0.2186 0.2495 0.2515 0.0069 0.0051 -0.0127 91 LEU C CD1 7012 C CD2 A LEU C 92 ? 0.2052 0.2303 0.2346 0.0073 0.0007 -0.0094 91 LEU C CD2 7013 C CD2 B LEU C 92 ? 0.2206 0.2435 0.2473 0.0069 0.0000 -0.0092 91 LEU C CD2 7014 N N . GLU C 93 ? 0.2263 0.2380 0.2239 -0.0063 0.0121 -0.0132 92 GLU C N 7015 C CA . GLU C 93 ? 0.2421 0.2430 0.2251 -0.0097 0.0122 -0.0120 92 GLU C CA 7016 C C . GLU C 93 ? 0.2520 0.2512 0.2300 -0.0146 0.0169 -0.0125 92 GLU C C 7017 O O . GLU C 93 ? 0.2536 0.2435 0.2213 -0.0167 0.0157 -0.0102 92 GLU C O 7018 C CB . GLU C 93 ? 0.2493 0.2459 0.2246 -0.0110 0.0134 -0.0139 92 GLU C CB 7019 C CG . GLU C 93 ? 0.2512 0.2460 0.2274 -0.0072 0.0081 -0.0132 92 GLU C CG 7020 C CD . GLU C 93 ? 0.2655 0.2549 0.2323 -0.0091 0.0095 -0.0153 92 GLU C CD 7021 O OE1 . GLU C 93 ? 0.2715 0.2661 0.2446 -0.0074 0.0105 -0.0177 92 GLU C OE1 7022 O OE2 . GLU C 93 ? 0.2895 0.2683 0.2414 -0.0123 0.0098 -0.0146 92 GLU C OE2 7023 N N . PHE C 94 ? 0.2537 0.2618 0.2392 -0.0164 0.0222 -0.0161 93 PHE C N 7024 C CA . PHE C 94 ? 0.2797 0.2887 0.2629 -0.0218 0.0277 -0.0179 93 PHE C CA 7025 C C . PHE C 94 ? 0.2672 0.2891 0.2661 -0.0200 0.0287 -0.0200 93 PHE C C 7026 O O . PHE C 94 ? 0.2780 0.3093 0.2877 -0.0170 0.0292 -0.0229 93 PHE C O 7027 C CB . PHE C 94 ? 0.3111 0.3197 0.2888 -0.0264 0.0340 -0.0217 93 PHE C CB 7028 C CG . PHE C 94 ? 0.3476 0.3416 0.3069 -0.0293 0.0336 -0.0199 93 PHE C CG 7029 C CD1 . PHE C 94 ? 0.3789 0.3605 0.3235 -0.0337 0.0340 -0.0173 93 PHE C CD1 7030 C CD2 . PHE C 94 ? 0.3926 0.3841 0.3483 -0.0275 0.0325 -0.0208 93 PHE C CD2 7031 C CE1 . PHE C 94 ? 0.4238 0.3900 0.3494 -0.0360 0.0329 -0.0156 93 PHE C CE1 7032 C CE2 . PHE C 94 ? 0.4208 0.3981 0.3585 -0.0300 0.0315 -0.0192 93 PHE C CE2 7033 C CZ . PHE C 94 ? 0.4144 0.3787 0.3368 -0.0341 0.0314 -0.0166 93 PHE C CZ 7034 N N . LEU C 95 ? 0.2567 0.2784 0.2563 -0.0215 0.0284 -0.0185 94 LEU C N 7035 C CA . LEU C 95 ? 0.2515 0.2845 0.2648 -0.0199 0.0287 -0.0205 94 LEU C CA 7036 C C . LEU C 95 ? 0.2627 0.3042 0.2813 -0.0243 0.0351 -0.0261 94 LEU C C 7037 O O . LEU C 95 ? 0.2436 0.2967 0.2756 -0.0218 0.0352 -0.0295 94 LEU C O 7038 C CB . LEU C 95 ? 0.2501 0.2797 0.2619 -0.0203 0.0263 -0.0175 94 LEU C CB 7039 C CG . LEU C 95 ? 0.2550 0.2775 0.2631 -0.0160 0.0203 -0.0129 94 LEU C CG 7040 C CD1 . LEU C 95 ? 0.2691 0.2880 0.2754 -0.0166 0.0186 -0.0105 94 LEU C CD1 7041 C CD2 . LEU C 95 ? 0.2540 0.2826 0.2717 -0.0101 0.0169 -0.0128 94 LEU C CD2 7042 N N . ASP C 96 ? 0.2972 0.3323 0.3049 -0.0308 0.0403 -0.0271 95 ASP C N 7043 C CA . ASP C 96 ? 0.3425 0.3853 0.3543 -0.0362 0.0477 -0.0331 95 ASP C CA 7044 C C . ASP C 96 ? 0.3627 0.4050 0.3711 -0.0367 0.0510 -0.0359 95 ASP C C 7045 O O . ASP C 96 ? 0.3659 0.3954 0.3588 -0.0390 0.0513 -0.0333 95 ASP C O 7046 C CB . ASP C 96 ? 0.3910 0.4257 0.3913 -0.0444 0.0524 -0.0327 95 ASP C CB 7047 C CG . ASP C 96 ? 0.4548 0.4993 0.4616 -0.0509 0.0606 -0.0396 95 ASP C CG 7048 O OD1 . ASP C 96 ? 0.4791 0.5333 0.4944 -0.0500 0.0639 -0.0448 95 ASP C OD1 7049 O OD2 . ASP C 96 ? 0.5354 0.5781 0.5391 -0.0570 0.0639 -0.0402 95 ASP C OD2 7050 N N . PRO C 97 ? 0.3718 0.4269 0.3939 -0.0341 0.0529 -0.0414 96 PRO C N 7051 C CA . PRO C 97 ? 0.4060 0.4606 0.4252 -0.0340 0.0559 -0.0443 96 PRO C CA 7052 C C . PRO C 97 ? 0.4272 0.4760 0.4341 -0.0427 0.0643 -0.0472 96 PRO C C 7053 O O . PRO C 97 ? 0.4434 0.4881 0.4436 -0.0432 0.0665 -0.0486 96 PRO C O 7054 C CB . PRO C 97 ? 0.4118 0.4823 0.4498 -0.0293 0.0562 -0.0504 96 PRO C CB 7055 C CG . PRO C 97 ? 0.3945 0.4732 0.4446 -0.0265 0.0525 -0.0501 96 PRO C CG 7056 C CD . PRO C 97 ? 0.3857 0.4557 0.4260 -0.0308 0.0519 -0.0452 96 PRO C CD 7057 N N . SER C 98 ? 0.4359 0.4830 0.4385 -0.0497 0.0688 -0.0479 97 SER C N 7058 C CA . SER C 98 ? 0.4887 0.5252 0.4744 -0.0588 0.0763 -0.0490 97 SER C CA 7059 C C . SER C 98 ? 0.5512 0.5675 0.5150 -0.0590 0.0723 -0.0422 97 SER C C 7060 O O . SER C 98 ? 0.5559 0.5604 0.5025 -0.0655 0.0773 -0.0426 97 SER C O 7061 C CB . SER C 98 ? 0.4975 0.5343 0.4818 -0.0664 0.0813 -0.0504 97 SER C CB 7062 O OG . SER C 98 ? 0.5196 0.5445 0.4942 -0.0657 0.0755 -0.0435 97 SER C OG 7063 N N . LYS C 99 ? 0.5257 0.5380 0.4901 -0.0521 0.0631 -0.0364 98 LYS C N 7064 C CA . LYS C 99 ? 0.5551 0.5504 0.5023 -0.0506 0.0574 -0.0304 98 LYS C CA 7065 C C . LYS C 99 ? 0.5615 0.5417 0.4913 -0.0566 0.0584 -0.0271 98 LYS C C 7066 O O . LYS C 99 ? 0.5736 0.5371 0.4848 -0.0575 0.0555 -0.0233 98 LYS C O 7067 C CB . LYS C 99 ? 0.5960 0.5853 0.5339 -0.0505 0.0582 -0.0314 98 LYS C CB 7068 C CG . LYS C 99 ? 0.6189 0.6212 0.5729 -0.0440 0.0564 -0.0343 98 LYS C CG 7069 C CD . LYS C 99 ? 0.6713 0.6662 0.6151 -0.0435 0.0563 -0.0349 98 LYS C CD 7070 C CE . LYS C 99 ? 0.7018 0.7078 0.6606 -0.0367 0.0536 -0.0372 98 LYS C CE 7071 N NZ . LYS C 99 ? 0.7799 0.7780 0.7283 -0.0362 0.0530 -0.0377 98 LYS C NZ 7072 N N . SER C 100 ? 0.5642 0.5498 0.5002 -0.0601 0.0615 -0.0284 99 SER C N 7073 C CA . SER C 100 ? 0.6083 0.5800 0.5296 -0.0652 0.0617 -0.0251 99 SER C CA 7074 C C . SER C 100 ? 0.6130 0.5742 0.5281 -0.0589 0.0518 -0.0185 99 SER C C 7075 O O . SER C 100 ? 0.5530 0.5233 0.4821 -0.0511 0.0457 -0.0171 99 SER C O 7076 C CB . SER C 100 ? 0.6180 0.6008 0.5516 -0.0689 0.0659 -0.0281 99 SER C CB 7077 O OG . SER C 100 ? 0.6751 0.6442 0.5954 -0.0727 0.0648 -0.0244 99 SER C OG 7078 N N . SER C 101 ? 0.6270 0.5689 0.5213 -0.0623 0.0504 -0.0148 100 SER C N 7079 C CA . SER C 101 ? 0.6128 0.5438 0.5005 -0.0563 0.0409 -0.0092 100 SER C CA 7080 C C . SER C 101 ? 0.5723 0.5121 0.4743 -0.0523 0.0374 -0.0080 100 SER C C 7081 O O . SER C 101 ? 0.5104 0.4497 0.4167 -0.0452 0.0297 -0.0050 100 SER C O 7082 C CB . SER C 101 ? 0.6646 0.5719 0.5262 -0.0609 0.0401 -0.0059 100 SER C CB 7083 O OG . SER C 101 ? 0.6935 0.5968 0.5499 -0.0685 0.0460 -0.0068 100 SER C OG 7084 N N . VAL C 102 ? 0.5452 0.4937 0.4555 -0.0571 0.0432 -0.0109 101 VAL C N 7085 C CA . VAL C 102 ? 0.5190 0.4766 0.4431 -0.0538 0.0404 -0.0103 101 VAL C CA 7086 C C . VAL C 102 ? 0.4468 0.4185 0.3891 -0.0451 0.0353 -0.0104 101 VAL C C 7087 O O . VAL C 102 ? 0.4617 0.4355 0.4105 -0.0402 0.0302 -0.0081 101 VAL C O 7088 C CB . VAL C 102 ? 0.5502 0.5179 0.4827 -0.0604 0.0478 -0.0148 101 VAL C CB 7089 C CG1 . VAL C 102 ? 0.5635 0.5394 0.5087 -0.0572 0.0446 -0.0143 101 VAL C CG1 7090 C CG2 . VAL C 102 ? 0.6047 0.5584 0.5191 -0.0704 0.0542 -0.0153 101 VAL C CG2 7091 N N . GLY C 103 ? 0.3965 0.3774 0.3464 -0.0435 0.0370 -0.0132 102 GLY C N 7092 C CA . GLY C 103 ? 0.3481 0.3409 0.3137 -0.0359 0.0326 -0.0133 102 GLY C CA 7093 C C . GLY C 103 ? 0.3163 0.3031 0.2770 -0.0309 0.0272 -0.0107 102 GLY C C 7094 O O . GLY C 103 ? 0.2840 0.2795 0.2561 -0.0257 0.0245 -0.0113 102 GLY C O 7095 N N . SER C 104 ? 0.3096 0.2811 0.2534 -0.0324 0.0252 -0.0081 103 SER C N 7096 C CA . SER C 104 ? 0.3189 0.2849 0.2582 -0.0278 0.0195 -0.0063 103 SER C CA 7097 C C . SER C 104 ? 0.3112 0.2792 0.2583 -0.0213 0.0125 -0.0037 103 SER C C 7098 O O . SER C 104 ? 0.3363 0.2969 0.2781 -0.0209 0.0097 -0.0013 103 SER C O 7099 C CB . SER C 104 ? 0.3409 0.2889 0.2587 -0.0310 0.0186 -0.0045 103 SER C CB 7100 O OG . SER C 104 ? 0.3464 0.2899 0.2609 -0.0262 0.0122 -0.0032 103 SER C OG 7101 N N . TYR C 105 ? 0.2766 0.2545 0.2364 -0.0164 0.0100 -0.0044 104 TYR C N 7102 C CA . TYR C 105 ? 0.2612 0.2436 0.2308 -0.0111 0.0051 -0.0028 104 TYR C CA 7103 C C . TYR C 105 ? 0.2556 0.2362 0.2256 -0.0067 -0.0003 -0.0022 104 TYR C C 7104 O O . TYR C 105 ? 0.2579 0.2296 0.2203 -0.0050 -0.0053 -0.0005 104 TYR C O 7105 C CB . TYR C 105 ? 0.2424 0.2382 0.2272 -0.0100 0.0077 -0.0045 104 TYR C CB 7106 C CG . TYR C 105 ? 0.2305 0.2308 0.2248 -0.0054 0.0038 -0.0032 104 TYR C CG 7107 C CD1 . TYR C 105 ? 0.2438 0.2384 0.2350 -0.0040 0.0005 -0.0011 104 TYR C CD1 7108 C CD2 . TYR C 105 ? 0.2210 0.2306 0.2268 -0.0025 0.0037 -0.0044 104 TYR C CD2 7109 C CE1 . TYR C 105 ? 0.2380 0.2372 0.2380 -0.0002 -0.0020 -0.0004 104 TYR C CE1 7110 C CE2 . TYR C 105 ? 0.2162 0.2291 0.2294 0.0008 0.0010 -0.0034 104 TYR C CE2 7111 C CZ . TYR C 105 ? 0.2244 0.2327 0.2352 0.0018 -0.0015 -0.0016 104 TYR C CZ 7112 O OH . TYR C 105 ? 0.2155 0.2272 0.2336 0.0048 -0.0034 -0.0011 104 TYR C OH 7113 N N . PHE C 106 ? 0.2357 0.2239 0.2136 -0.0052 0.0003 -0.0040 105 PHE C N 7114 C CA . PHE C 106 ? 0.2395 0.2259 0.2173 -0.0020 -0.0044 -0.0040 105 PHE C CA 7115 C C . PHE C 106 ? 0.2437 0.2217 0.2088 -0.0042 -0.0044 -0.0047 105 PHE C C 7116 O O . PHE C 106 ? 0.2490 0.2251 0.2131 -0.0019 -0.0086 -0.0050 105 PHE C O 7117 C CB . PHE C 106 ? 0.2423 0.2391 0.2334 0.0005 -0.0040 -0.0055 105 PHE C CB 7118 C CG . PHE C 106 ? 0.2537 0.2555 0.2548 0.0039 -0.0069 -0.0047 105 PHE C CG 7119 C CD1 . PHE C 106 ? 0.2797 0.2871 0.2879 0.0040 -0.0046 -0.0044 105 PHE C CD1 7120 C CD2 . PHE C 106 ? 0.2767 0.2778 0.2803 0.0067 -0.0118 -0.0047 105 PHE C CD2 7121 C CE1 . PHE C 106 ? 0.2888 0.3000 0.3051 0.0066 -0.0065 -0.0038 105 PHE C CE1 7122 C CE2 . PHE C 106 ? 0.2858 0.2919 0.2989 0.0092 -0.0134 -0.0046 105 PHE C CE2 7123 C CZ . PHE C 106 ? 0.2760 0.2867 0.2948 0.0090 -0.0104 -0.0040 105 PHE C CZ 7124 N N . HIS C 107 ? 0.2503 0.2232 0.2054 -0.0090 0.0003 -0.0052 106 HIS C N 7125 C CA . HIS C 107 ? 0.2639 0.2285 0.2061 -0.0116 0.0014 -0.0062 106 HIS C CA 7126 C C . HIS C 107 ? 0.2712 0.2234 0.2011 -0.0097 -0.0057 -0.0043 106 HIS C C 7127 O O . HIS C 107 ? 0.2594 0.2090 0.1852 -0.0090 -0.0077 -0.0054 106 HIS C O 7128 C CB . HIS C 107 ? 0.2829 0.2424 0.2145 -0.0180 0.0082 -0.0071 106 HIS C CB 7129 C CG . HIS C 107 ? 0.3110 0.2622 0.2289 -0.0213 0.0105 -0.0086 106 HIS C CG 7130 N ND1 . HIS C 107 ? 0.3086 0.2658 0.2318 -0.0202 0.0117 -0.0113 106 HIS C ND1 7131 C CD2 . HIS C 107 ? 0.3406 0.2768 0.2386 -0.0260 0.0118 -0.0079 106 HIS C CD2 7132 C CE1 . HIS C 107 ? 0.3349 0.2820 0.2425 -0.0239 0.0138 -0.0123 106 HIS C CE1 7133 N NE2 . HIS C 107 ? 0.3555 0.2893 0.2471 -0.0276 0.0140 -0.0102 106 HIS C NE2 7134 N N . THR C 108 ? 0.2714 0.2153 0.1947 -0.0087 -0.0097 -0.0019 107 THR C N 7135 C CA . THR C 108 ? 0.2910 0.2222 0.2018 -0.0064 -0.0173 -0.0005 107 THR C CA 7136 C C . THR C 108 ? 0.2845 0.2232 0.2072 -0.0009 -0.0233 -0.0017 107 THR C C 7137 O O . THR C 108 ? 0.2926 0.2250 0.2077 0.0002 -0.0280 -0.0023 107 THR C O 7138 C CB . THR C 108 ? 0.3092 0.2301 0.2119 -0.0054 -0.0212 0.0020 107 THR C CB 7139 O OG1 . THR C 108 ? 0.3119 0.2247 0.2023 -0.0115 -0.0150 0.0029 107 THR C OG1 7140 C CG2 . THR C 108 ? 0.3284 0.2355 0.2182 -0.0019 -0.0302 0.0031 107 THR C CG2 7141 N N . MET C 109 ? 0.2729 0.2246 0.2134 0.0018 -0.0231 -0.0022 108 MET C N 7142 C CA . MET C 109 ? 0.2628 0.2222 0.2153 0.0061 -0.0278 -0.0037 108 MET C CA 7143 C C . MET C 109 ? 0.2586 0.2222 0.2134 0.0049 -0.0258 -0.0058 108 MET C C 7144 O O . MET C 109 ? 0.2543 0.2164 0.2086 0.0069 -0.0309 -0.0071 108 MET C O 7145 C CB . MET C 109 ? 0.2578 0.2289 0.2271 0.0083 -0.0268 -0.0039 108 MET C CB 7146 C CG . MET C 109 ? 0.2612 0.2407 0.2432 0.0115 -0.0303 -0.0059 108 MET C CG 7147 S SD . MET C 109 ? 0.2964 0.2878 0.2958 0.0134 -0.0283 -0.0062 108 MET C SD 7148 C CE . MET C 109 ? 0.2840 0.2688 0.2790 0.0161 -0.0331 -0.0049 108 MET C CE 7149 N N . VAL C 110 ? 0.2456 0.2141 0.2026 0.0019 -0.0186 -0.0066 109 VAL C N 7150 C CA . VAL C 110 ? 0.2498 0.2213 0.2082 0.0009 -0.0163 -0.0089 109 VAL C CA 7151 C C . VAL C 110 ? 0.2699 0.2299 0.2118 -0.0010 -0.0179 -0.0094 109 VAL C C 7152 O O . VAL C 110 ? 0.2601 0.2197 0.2017 0.0000 -0.0206 -0.0111 109 VAL C O 7153 C CB . VAL C 110 ? 0.2425 0.2221 0.2077 -0.0010 -0.0088 -0.0103 109 VAL C CB 7154 C CG1 . VAL C 110 ? 0.2508 0.2324 0.2166 -0.0015 -0.0067 -0.0130 109 VAL C CG1 7155 C CG2 . VAL C 110 ? 0.2294 0.2190 0.2096 0.0013 -0.0085 -0.0098 109 VAL C CG2 7156 N N . GLU C 111 ? 0.2978 0.2472 0.2248 -0.0040 -0.0164 -0.0080 110 GLU C N 7157 C CA . GLU C 111 ? 0.3532 0.2887 0.2613 -0.0061 -0.0185 -0.0081 110 GLU C CA 7158 C C . GLU C 111 ? 0.3389 0.2697 0.2450 -0.0017 -0.0284 -0.0079 110 GLU C C 7159 O O . GLU C 111 ? 0.3255 0.2505 0.2234 -0.0019 -0.0312 -0.0092 110 GLU C O 7160 C CB . GLU C 111 ? 0.4191 0.3413 0.3096 -0.0100 -0.0164 -0.0061 110 GLU C CB 7161 C CG . GLU C 111 ? 0.4846 0.4098 0.3735 -0.0157 -0.0061 -0.0077 110 GLU C CG 7162 C CD . GLU C 111 ? 0.5410 0.4653 0.4244 -0.0181 -0.0023 -0.0107 110 GLU C CD 7163 O OE1 . GLU C 111 ? 0.5485 0.4843 0.4433 -0.0191 0.0039 -0.0135 110 GLU C OE1 7164 O OE2 . GLU C 111 ? 0.6442 0.5566 0.5125 -0.0186 -0.0061 -0.0107 110 GLU C OE2 7165 N N . SER C 112 ? 0.3197 0.2520 0.2323 0.0020 -0.0339 -0.0065 111 SER C N 7166 C CA . SER C 112 ? 0.3223 0.2522 0.2361 0.0067 -0.0438 -0.0072 111 SER C CA 7167 C C . SER C 112 ? 0.2966 0.2376 0.2243 0.0084 -0.0450 -0.0101 111 SER C C 7168 O O . SER C 112 ? 0.2969 0.2332 0.2191 0.0096 -0.0508 -0.0117 111 SER C O 7169 C CB . SER C 112 ? 0.3368 0.2688 0.2581 0.0107 -0.0485 -0.0061 111 SER C CB 7170 O OG . SER C 112 ? 0.3794 0.2973 0.2844 0.0097 -0.0497 -0.0035 111 SER C OG 7171 N N . LEU C 113 ? 0.2643 0.2187 0.2085 0.0082 -0.0397 -0.0108 112 LEU C N 7172 C CA . LEU C 113 ? 0.2588 0.2229 0.2157 0.0090 -0.0399 -0.0134 112 LEU C CA 7173 C C . LEU C 113 ? 0.2612 0.2206 0.2090 0.0066 -0.0382 -0.0150 112 LEU C C 7174 O O . LEU C 113 ? 0.2551 0.2145 0.2040 0.0077 -0.0427 -0.0172 112 LEU C O 7175 C CB . LEU C 113 ? 0.2468 0.2228 0.2187 0.0087 -0.0337 -0.0134 112 LEU C CB 7176 C CG . LEU C 113 ? 0.2563 0.2389 0.2400 0.0112 -0.0355 -0.0127 112 LEU C CG 7177 C CD1 . LEU C 113 ? 0.2484 0.2389 0.2412 0.0101 -0.0287 -0.0119 112 LEU C CD1 7178 C CD2 . LEU C 113 ? 0.2600 0.2484 0.2544 0.0136 -0.0407 -0.0151 112 LEU C CD2 7179 N N . VAL C 114 ? 0.2648 0.2199 0.2033 0.0031 -0.0316 -0.0144 113 VAL C N 7180 C CA . VAL C 114 ? 0.2827 0.2329 0.2116 0.0006 -0.0289 -0.0163 113 VAL C CA 7181 C C . VAL C 114 ? 0.3074 0.2441 0.2193 0.0006 -0.0357 -0.0164 113 VAL C C 7182 O O . VAL C 114 ? 0.3095 0.2442 0.2185 0.0006 -0.0383 -0.0186 113 VAL C O 7183 C CB . VAL C 114 ? 0.2871 0.2371 0.2114 -0.0032 -0.0198 -0.0163 113 VAL C CB 7184 C CG1 . VAL C 114 ? 0.3095 0.2520 0.2205 -0.0062 -0.0168 -0.0185 113 VAL C CG1 7185 C CG2 . VAL C 114 ? 0.2689 0.2324 0.2106 -0.0023 -0.0146 -0.0172 113 VAL C CG2 7186 N N . GLY C 115 ? 0.3184 0.2452 0.2191 0.0011 -0.0397 -0.0140 114 GLY C N 7187 C CA . GLY C 115 ? 0.3442 0.2571 0.2285 0.0022 -0.0480 -0.0139 114 GLY C CA 7188 C C . GLY C 115 ? 0.3459 0.2639 0.2404 0.0067 -0.0572 -0.0161 114 GLY C C 7189 O O . GLY C 115 ? 0.3670 0.2763 0.2506 0.0074 -0.0636 -0.0174 114 GLY C O 7190 N N . TRP C 116 ? 0.3268 0.2591 0.2421 0.0093 -0.0576 -0.0168 115 TRP C N 7191 C CA . TRP C 116 ? 0.3260 0.2659 0.2543 0.0128 -0.0649 -0.0198 115 TRP C CA 7192 C C . TRP C 116 ? 0.3151 0.2627 0.2519 0.0110 -0.0617 -0.0226 115 TRP C C 7193 O O . TRP C 116 ? 0.3337 0.2880 0.2815 0.0127 -0.0667 -0.0255 115 TRP C O 7194 C CB . TRP C 116 ? 0.3208 0.2723 0.2674 0.0158 -0.0661 -0.0198 115 TRP C CB 7195 C CG . TRP C 116 ? 0.3331 0.2782 0.2739 0.0183 -0.0697 -0.0175 115 TRP C CG 7196 C CD1 . TRP C 116 ? 0.3606 0.2901 0.2824 0.0193 -0.0755 -0.0160 115 TRP C CD1 7197 C CD2 . TRP C 116 ? 0.3227 0.2751 0.2752 0.0200 -0.0679 -0.0164 115 TRP C CD2 7198 N NE1 . TRP C 116 ? 0.3728 0.2993 0.2940 0.0216 -0.0772 -0.0139 115 TRP C NE1 7199 C CE2 . TRP C 116 ? 0.3456 0.2865 0.2858 0.0221 -0.0726 -0.0142 115 TRP C CE2 7200 C CE3 . TRP C 116 ? 0.3135 0.2799 0.2842 0.0198 -0.0626 -0.0169 115 TRP C CE3 7201 C CZ2 . TRP C 116 ? 0.3489 0.2927 0.2957 0.0243 -0.0723 -0.0129 115 TRP C CZ2 7202 C CZ3 . TRP C 116 ? 0.3068 0.2761 0.2835 0.0217 -0.0620 -0.0155 115 TRP C CZ3 7203 C CH2 . TRP C 116 ? 0.3259 0.2843 0.2911 0.0239 -0.0668 -0.0137 115 TRP C CH2 7204 N N . GLY C 117 ? 0.3028 0.2496 0.2351 0.0075 -0.0534 -0.0222 116 GLY C N 7205 C CA . GLY C 117 ? 0.2966 0.2480 0.2341 0.0059 -0.0506 -0.0249 116 GLY C CA 7206 C C . GLY C 117 ? 0.2737 0.2359 0.2252 0.0050 -0.0428 -0.0250 116 GLY C C 7207 O O . GLY C 117 ? 0.2772 0.2422 0.2326 0.0039 -0.0406 -0.0273 116 GLY C O 7208 N N . TYR C 118 ? 0.2601 0.2272 0.2178 0.0054 -0.0389 -0.0227 117 TYR C N 7209 C CA . TYR C 118 ? 0.2376 0.2135 0.2070 0.0048 -0.0321 -0.0226 117 TYR C CA 7210 C C . TYR C 118 ? 0.2429 0.2164 0.2055 0.0026 -0.0250 -0.0230 117 TYR C C 7211 O O . TYR C 118 ? 0.2439 0.2093 0.1928 0.0008 -0.0240 -0.0226 117 TYR C O 7212 C CB . TYR C 118 ? 0.2327 0.2146 0.2111 0.0062 -0.0311 -0.0203 117 TYR C CB 7213 C CG . TYR C 118 ? 0.2308 0.2191 0.2215 0.0083 -0.0359 -0.0212 117 TYR C CG 7214 C CD1 . TYR C 118 ? 0.2419 0.2275 0.2306 0.0104 -0.0432 -0.0214 117 TYR C CD1 7215 C CD2 . TYR C 118 ? 0.2290 0.2256 0.2328 0.0081 -0.0332 -0.0222 117 TYR C CD2 7216 C CE1 . TYR C 118 ? 0.2460 0.2390 0.2478 0.0123 -0.0473 -0.0232 117 TYR C CE1 7217 C CE2 . TYR C 118 ? 0.2283 0.2312 0.2436 0.0092 -0.0366 -0.0236 117 TYR C CE2 7218 C CZ . TYR C 118 ? 0.2392 0.2413 0.2544 0.0113 -0.0435 -0.0245 117 TYR C CZ 7219 O OH . TYR C 118 ? 0.2399 0.2499 0.2685 0.0123 -0.0465 -0.0269 117 TYR C OH 7220 N N . THR C 119 ? 0.2251 0.2052 0.1972 0.0027 -0.0203 -0.0240 118 THR C N 7221 C CA . THR C 119 ? 0.2247 0.2047 0.1938 0.0014 -0.0137 -0.0255 118 THR C CA 7222 C C . THR C 119 ? 0.2122 0.2000 0.1919 0.0024 -0.0091 -0.0246 118 THR C C 7223 O O . THR C 119 ? 0.2023 0.1954 0.1925 0.0040 -0.0099 -0.0244 118 THR C O 7224 C CB . THR C 119 ? 0.2263 0.2053 0.1958 0.0014 -0.0136 -0.0286 118 THR C CB 7225 O OG1 . THR C 119 ? 0.2363 0.2075 0.1951 0.0003 -0.0182 -0.0296 118 THR C OG1 7226 C CG2 . THR C 119 ? 0.2311 0.2105 0.1988 0.0008 -0.0070 -0.0308 118 THR C CG2 7227 N N . ARG C 120 ? 0.2148 0.2029 0.1910 0.0011 -0.0046 -0.0243 119 ARG C N 7228 C CA . ARG C 120 ? 0.2178 0.2132 0.2034 0.0021 -0.0009 -0.0237 119 ARG C CA 7229 C C . ARG C 120 ? 0.2141 0.2141 0.2081 0.0040 0.0011 -0.0259 119 ARG C C 7230 O O . ARG C 120 ? 0.2216 0.2197 0.2124 0.0038 0.0032 -0.0288 119 ARG C O 7231 C CB . ARG C 120 ? 0.2345 0.2297 0.2147 -0.0003 0.0042 -0.0242 119 ARG C CB 7232 C CG . ARG C 120 ? 0.2412 0.2310 0.2129 -0.0024 0.0028 -0.0215 119 ARG C CG 7233 C CD . ARG C 120 ? 0.2566 0.2450 0.2214 -0.0061 0.0091 -0.0230 119 ARG C CD 7234 N NE . ARG C 120 ? 0.2683 0.2505 0.2242 -0.0085 0.0084 -0.0203 119 ARG C NE 7235 C CZ . ARG C 120 ? 0.2981 0.2686 0.2380 -0.0110 0.0067 -0.0192 119 ARG C CZ 7236 N NH1 . ARG C 120 ? 0.3191 0.2829 0.2496 -0.0116 0.0053 -0.0207 119 ARG C NH1 7237 N NH2 . ARG C 120 ? 0.3144 0.2784 0.2462 -0.0129 0.0059 -0.0166 119 ARG C NH2 7238 N N . GLY C 121 ? 0.2030 0.2079 0.2067 0.0060 0.0003 -0.0246 120 GLY C N 7239 C CA . GLY C 121 ? 0.2091 0.2166 0.2194 0.0083 0.0017 -0.0263 120 GLY C CA 7240 C C . GLY C 121 ? 0.2257 0.2299 0.2368 0.0088 -0.0010 -0.0269 120 GLY C C 7241 O O . GLY C 121 ? 0.2203 0.2245 0.2355 0.0106 -0.0004 -0.0280 120 GLY C O 7242 N N . GLU C 122 ? 0.2355 0.2362 0.2421 0.0071 -0.0044 -0.0266 121 GLU C N 7243 C CA . GLU C 122 ? 0.2465 0.2445 0.2541 0.0068 -0.0073 -0.0276 121 GLU C CA 7244 C C . GLU C 122 ? 0.2215 0.2219 0.2344 0.0063 -0.0108 -0.0258 121 GLU C C 7245 O O . GLU C 122 ? 0.2063 0.2097 0.2262 0.0069 -0.0100 -0.0246 121 GLU C O 7246 C CB . GLU C 122 ? 0.2940 0.2866 0.2929 0.0055 -0.0085 -0.0300 121 GLU C CB 7247 C CG . GLU C 122 ? 0.3500 0.3409 0.3452 0.0061 -0.0042 -0.0327 121 GLU C CG 7248 C CD . GLU C 122 ? 0.4609 0.4456 0.4481 0.0048 -0.0052 -0.0355 121 GLU C CD 7249 O OE1 . GLU C 122 ? 0.5586 0.5406 0.5439 0.0035 -0.0098 -0.0353 121 GLU C OE1 7250 O OE2 . GLU C 122 ? 0.5143 0.4969 0.4971 0.0050 -0.0017 -0.0383 121 GLU C OE2 7251 N N . ASP C 123 ? 0.2067 0.2057 0.2162 0.0054 -0.0147 -0.0257 122 ASP C N 7252 C CA . ASP C 123 ? 0.2046 0.2071 0.2207 0.0054 -0.0183 -0.0249 122 ASP C CA 7253 C C . ASP C 123 ? 0.1964 0.2015 0.2139 0.0064 -0.0186 -0.0223 122 ASP C C 7254 O O . ASP C 123 ? 0.1831 0.1916 0.2069 0.0067 -0.0212 -0.0220 122 ASP C O 7255 C CB . ASP C 123 ? 0.2184 0.2188 0.2326 0.0045 -0.0236 -0.0269 122 ASP C CB 7256 C CG . ASP C 123 ? 0.2375 0.2321 0.2401 0.0046 -0.0262 -0.0270 122 ASP C CG 7257 O OD1 . ASP C 123 ? 0.2452 0.2374 0.2412 0.0047 -0.0231 -0.0255 122 ASP C OD1 7258 O OD2 . ASP C 123 ? 0.2562 0.2482 0.2559 0.0043 -0.0313 -0.0288 122 ASP C OD2 7259 N N . VAL C 124 ? 0.1863 0.1901 0.1986 0.0066 -0.0157 -0.0209 123 VAL C N 7260 C CA . VAL C 124 ? 0.1854 0.1919 0.2000 0.0072 -0.0146 -0.0185 123 VAL C CA 7261 C C . VAL C 124 ? 0.1830 0.1919 0.1995 0.0075 -0.0096 -0.0182 123 VAL C C 7262 O O . VAL C 124 ? 0.1840 0.1912 0.1957 0.0070 -0.0068 -0.0195 123 VAL C O 7263 C CB . VAL C 124 ? 0.2013 0.2035 0.2075 0.0070 -0.0169 -0.0172 123 VAL C CB 7264 C CG1 . VAL C 124 ? 0.2203 0.2168 0.2152 0.0053 -0.0145 -0.0179 123 VAL C CG1 7265 C CG2 . VAL C 124 ? 0.1981 0.2029 0.2074 0.0075 -0.0157 -0.0149 123 VAL C CG2 7266 N N . ARG C 125 ? 0.1719 0.1848 0.1957 0.0084 -0.0085 -0.0170 124 ARG C N 7267 C CA . ARG C 125 ? 0.1764 0.1919 0.2029 0.0093 -0.0049 -0.0169 124 ARG C CA 7268 C C . ARG C 125 ? 0.1717 0.1903 0.2017 0.0097 -0.0044 -0.0147 124 ARG C C 7269 O O . ARG C 125 ? 0.1756 0.1949 0.2084 0.0097 -0.0064 -0.0135 124 ARG C O 7270 C CB . ARG C 125 ? 0.1777 0.1929 0.2083 0.0103 -0.0043 -0.0179 124 ARG C CB 7271 C CG . ARG C 125 ? 0.1997 0.2113 0.2271 0.0099 -0.0047 -0.0202 124 ARG C CG 7272 C CD . ARG C 125 ? 0.2050 0.2146 0.2348 0.0111 -0.0038 -0.0212 124 ARG C CD 7273 N NE . ARG C 125 ? 0.2203 0.2257 0.2471 0.0102 -0.0047 -0.0233 124 ARG C NE 7274 C CZ . ARG C 125 ? 0.2411 0.2424 0.2678 0.0109 -0.0042 -0.0246 124 ARG C CZ 7275 N NH1 . ARG C 125 ? 0.2604 0.2610 0.2893 0.0129 -0.0032 -0.0238 124 ARG C NH1 7276 N NH2 . ARG C 125 ? 0.2438 0.2410 0.2674 0.0097 -0.0052 -0.0267 124 ARG C NH2 7277 N N . GLY C 126 ? 0.1696 0.1904 0.1997 0.0100 -0.0016 -0.0148 125 GLY C N 7278 C CA . GLY C 126 ? 0.1724 0.1960 0.2058 0.0103 -0.0011 -0.0131 125 GLY C CA 7279 C C . GLY C 126 ? 0.1657 0.1912 0.2046 0.0121 -0.0006 -0.0130 125 GLY C C 7280 O O . GLY C 126 ? 0.1624 0.1873 0.2022 0.0135 -0.0001 -0.0145 125 GLY C O 7281 N N . ALA C 127 ? 0.1518 0.1784 0.1932 0.0123 -0.0011 -0.0111 126 ALA C N 7282 C CA . ALA C 127 ? 0.1522 0.1792 0.1967 0.0137 -0.0009 -0.0106 126 ALA C CA 7283 C C . ALA C 127 ? 0.1520 0.1819 0.1977 0.0140 -0.0002 -0.0099 126 ALA C C 7284 O O . ALA C 127 ? 0.1555 0.1854 0.2021 0.0138 -0.0006 -0.0083 126 ALA C O 7285 C CB . ALA C 127 ? 0.1517 0.1765 0.1974 0.0131 -0.0017 -0.0095 126 ALA C CB 7286 N N . PRO C 128 ? 0.1514 0.1843 0.1973 0.0141 0.0011 -0.0116 127 PRO C N 7287 C CA . PRO C 128 ? 0.1522 0.1888 0.2003 0.0140 0.0018 -0.0117 127 PRO C CA 7288 C C . PRO C 128 ? 0.1501 0.1869 0.2011 0.0166 0.0004 -0.0117 127 PRO C C 7289 O O . PRO C 128 ? 0.1514 0.1856 0.2025 0.0187 -0.0006 -0.0122 127 PRO C O 7290 C CB . PRO C 128 ? 0.1513 0.1918 0.2001 0.0133 0.0041 -0.0148 127 PRO C CB 7291 C CG . PRO C 128 ? 0.1552 0.1941 0.2039 0.0149 0.0040 -0.0165 127 PRO C CG 7292 C CD . PRO C 128 ? 0.1540 0.1876 0.1990 0.0142 0.0024 -0.0142 127 PRO C CD 7293 N N . TYR C 129 ? 0.1456 0.1846 0.1980 0.0163 0.0002 -0.0110 128 TYR C N 7294 C CA . TYR C 129 ? 0.1533 0.1913 0.2068 0.0187 -0.0016 -0.0107 128 TYR C CA 7295 C C . TYR C 129 ? 0.1530 0.1958 0.2094 0.0184 -0.0017 -0.0118 128 TYR C C 7296 O O . TYR C 129 ? 0.1431 0.1894 0.2001 0.0157 0.0002 -0.0124 128 TYR C O 7297 C CB . TYR C 129 ? 0.1529 0.1853 0.2031 0.0183 -0.0023 -0.0079 128 TYR C CB 7298 C CG . TYR C 129 ? 0.1526 0.1854 0.2020 0.0158 -0.0013 -0.0062 128 TYR C CG 7299 C CD1 . TYR C 129 ? 0.1553 0.1876 0.2038 0.0142 -0.0006 -0.0058 128 TYR C CD1 7300 C CD2 . TYR C 129 ? 0.1475 0.1805 0.1966 0.0155 -0.0016 -0.0053 128 TYR C CD2 7301 C CE1 . TYR C 129 ? 0.1634 0.1953 0.2110 0.0128 -0.0004 -0.0045 128 TYR C CE1 7302 C CE2 . TYR C 129 ? 0.1438 0.1765 0.1920 0.0137 -0.0009 -0.0040 128 TYR C CE2 7303 C CZ . TYR C 129 ? 0.1579 0.1899 0.2054 0.0126 -0.0004 -0.0037 128 TYR C CZ 7304 O OH . TYR C 129 ? 0.1626 0.1937 0.2091 0.0116 -0.0005 -0.0027 128 TYR C OH 7305 N N . ASP C 130 ? 0.1532 0.1956 0.2107 0.0210 -0.0042 -0.0123 129 ASP C N 7306 C CA . ASP C 130 ? 0.1588 0.2058 0.2193 0.0208 -0.0049 -0.0136 129 ASP C CA 7307 C C . ASP C 130 ? 0.1531 0.1969 0.2099 0.0185 -0.0045 -0.0106 129 ASP C C 7308 O O . ASP C 130 ? 0.1552 0.1942 0.2087 0.0197 -0.0062 -0.0088 129 ASP C O 7309 C CB . ASP C 130 ? 0.1750 0.2221 0.2375 0.0250 -0.0088 -0.0154 129 ASP C CB 7310 C CG . ASP C 130 ? 0.1890 0.2425 0.2563 0.0248 -0.0100 -0.0177 129 ASP C CG 7311 O OD1 . ASP C 130 ? 0.1793 0.2354 0.2467 0.0210 -0.0077 -0.0171 129 ASP C OD1 7312 O OD2 . ASP C 130 ? 0.1996 0.2555 0.2706 0.0286 -0.0136 -0.0206 129 ASP C OD2 7313 N N . TRP C 131 ? 0.1491 0.1947 0.2055 0.0152 -0.0020 -0.0101 130 TRP C N 7314 C CA . TRP C 131 ? 0.1523 0.1945 0.2052 0.0133 -0.0015 -0.0076 130 TRP C CA 7315 C C . TRP C 131 ? 0.1566 0.1997 0.2098 0.0130 -0.0026 -0.0078 130 TRP C C 7316 O O . TRP C 131 ? 0.1519 0.1919 0.2021 0.0116 -0.0022 -0.0060 130 TRP C O 7317 C CB . TRP C 131 ? 0.1609 0.2028 0.2117 0.0103 0.0006 -0.0071 130 TRP C CB 7318 C CG . TRP C 131 ? 0.1604 0.2068 0.2131 0.0084 0.0025 -0.0096 130 TRP C CG 7319 C CD1 . TRP C 131 ? 0.1669 0.2142 0.2194 0.0080 0.0039 -0.0109 130 TRP C CD1 7320 C CD2 . TRP C 131 ? 0.1578 0.2089 0.2131 0.0062 0.0037 -0.0118 130 TRP C CD2 7321 N NE1 . TRP C 131 ? 0.1629 0.2148 0.2173 0.0056 0.0064 -0.0138 130 TRP C NE1 7322 C CE2 . TRP C 131 ? 0.1580 0.2128 0.2147 0.0042 0.0064 -0.0145 130 TRP C CE2 7323 C CE3 . TRP C 131 ? 0.1590 0.2115 0.2154 0.0053 0.0029 -0.0121 130 TRP C CE3 7324 C CZ2 . TRP C 131 ? 0.1597 0.2203 0.2198 0.0011 0.0089 -0.0179 130 TRP C CZ2 7325 C CZ3 . TRP C 131 ? 0.1702 0.2283 0.2300 0.0023 0.0048 -0.0153 130 TRP C CZ3 7326 C CH2 . TRP C 131 ? 0.1685 0.2310 0.2305 0.0000 0.0080 -0.0182 130 TRP C CH2 7327 N N . ARG C 132 ? 0.1543 0.2018 0.2115 0.0145 -0.0044 -0.0103 131 ARG C N 7328 C CA . ARG C 132 ? 0.1656 0.2137 0.2229 0.0146 -0.0063 -0.0108 131 ARG C CA 7329 C C . ARG C 132 ? 0.1721 0.2133 0.2243 0.0169 -0.0087 -0.0087 131 ARG C C 7330 O O . ARG C 132 ? 0.1720 0.2108 0.2215 0.0165 -0.0099 -0.0081 131 ARG C O 7331 C CB . ARG C 132 ? 0.1688 0.2246 0.2330 0.0158 -0.0081 -0.0150 131 ARG C CB 7332 C CG . ARG C 132 ? 0.1694 0.2325 0.2387 0.0125 -0.0047 -0.0179 131 ARG C CG 7333 C CD . ARG C 132 ? 0.1648 0.2370 0.2430 0.0141 -0.0061 -0.0230 131 ARG C CD 7334 N NE . ARG C 132 ? 0.1749 0.2465 0.2547 0.0191 -0.0088 -0.0240 131 ARG C NE 7335 C CZ . ARG C 132 ? 0.1989 0.2764 0.2858 0.0229 -0.0120 -0.0283 131 ARG C CZ 7336 N NH1 . ARG C 132 ? 0.1938 0.2802 0.2886 0.0220 -0.0128 -0.0326 131 ARG C NH1 7337 N NH2 . ARG C 132 ? 0.2115 0.2858 0.2980 0.0277 -0.0148 -0.0286 131 ARG C NH2 7338 N N . ARG C 133 ? 0.1809 0.2178 0.2308 0.0190 -0.0092 -0.0077 132 ARG C N 7339 C CA . ARG C 133 ? 0.1962 0.2251 0.2398 0.0205 -0.0108 -0.0058 132 ARG C CA 7340 C C . ARG C 133 ? 0.1994 0.2236 0.2392 0.0184 -0.0077 -0.0033 132 ARG C C 7341 O O . ARG C 133 ? 0.1988 0.2256 0.2412 0.0168 -0.0054 -0.0032 132 ARG C O 7342 C CB . ARG C 133 ? 0.2151 0.2411 0.2578 0.0240 -0.0134 -0.0068 132 ARG C CB 7343 C CG . ARG C 133 ? 0.2410 0.2704 0.2869 0.0272 -0.0178 -0.0096 132 ARG C CG 7344 C CD . ARG C 133 ? 0.2784 0.3068 0.3255 0.0313 -0.0207 -0.0115 132 ARG C CD 7345 N NE . ARG C 133 ? 0.2966 0.3242 0.3437 0.0354 -0.0265 -0.0136 132 ARG C NE 7346 C CZ . ARG C 133 ? 0.3321 0.3598 0.3815 0.0402 -0.0307 -0.0164 132 ARG C CZ 7347 N NH1 . ARG C 133 ? 0.3482 0.3767 0.4001 0.0414 -0.0292 -0.0174 132 ARG C NH1 7348 N NH2 . ARG C 133 ? 0.3459 0.3726 0.3950 0.0442 -0.0367 -0.0184 132 ARG C NH2 7349 N N . ALA C 134 ? 0.1975 0.2146 0.2310 0.0183 -0.0078 -0.0018 133 ALA C N 7350 C CA . ALA C 134 ? 0.2028 0.2159 0.2336 0.0163 -0.0047 -0.0004 133 ALA C CA 7351 C C . ALA C 134 ? 0.2097 0.2174 0.2372 0.0170 -0.0046 0.0000 133 ALA C C 7352 O O . ALA C 134 ? 0.2134 0.2191 0.2395 0.0195 -0.0074 -0.0006 133 ALA C O 7353 C CB . ALA C 134 ? 0.2154 0.2235 0.2407 0.0151 -0.0038 0.0004 133 ALA C CB 7354 N N . PRO C 135 ? 0.2023 0.2075 0.2288 0.0148 -0.0014 0.0005 134 PRO C N 7355 C CA . PRO C 135 ? 0.2098 0.2098 0.2334 0.0147 -0.0010 0.0006 134 PRO C CA 7356 C C . PRO C 135 ? 0.2279 0.2176 0.2421 0.0159 -0.0029 0.0014 134 PRO C C 7357 O O . PRO C 135 ? 0.2381 0.2233 0.2498 0.0169 -0.0039 0.0012 134 PRO C O 7358 C CB . PRO C 135 ? 0.2025 0.2023 0.2273 0.0113 0.0030 0.0005 134 PRO C CB 7359 C CG . PRO C 135 ? 0.1973 0.2051 0.2288 0.0112 0.0035 0.0000 134 PRO C CG 7360 C CD . PRO C 135 ? 0.1964 0.2048 0.2263 0.0125 0.0015 0.0004 134 PRO C CD 7361 N N . ASN C 136 ? 0.2436 0.2283 0.2515 0.0160 -0.0038 0.0021 135 ASN C N 7362 C CA . ASN C 136 ? 0.2713 0.2442 0.2680 0.0173 -0.0063 0.0031 135 ASN C CA 7363 C C . ASN C 136 ? 0.2807 0.2535 0.2782 0.0221 -0.0119 0.0021 135 ASN C C 7364 O O . ASN C 136 ? 0.2871 0.2490 0.2754 0.0239 -0.0147 0.0027 135 ASN C O 7365 C CB . ASN C 136 ? 0.2833 0.2508 0.2725 0.0166 -0.0068 0.0039 135 ASN C CB 7366 C CG . ASN C 136 ? 0.2857 0.2617 0.2812 0.0187 -0.0099 0.0029 135 ASN C CG 7367 O OD1 . ASN C 136 ? 0.2756 0.2624 0.2813 0.0185 -0.0089 0.0019 135 ASN C OD1 7368 N ND2 . ASN C 136 ? 0.2998 0.2700 0.2880 0.0204 -0.0136 0.0031 135 ASN C ND2 7369 N N . GLU C 137 ? 0.2673 0.2517 0.2754 0.0240 -0.0135 0.0004 136 GLU C N 7370 C CA . GLU C 137 ? 0.2852 0.2720 0.2966 0.0285 -0.0182 -0.0015 136 GLU C CA 7371 C C . GLU C 137 ? 0.2789 0.2727 0.2984 0.0289 -0.0167 -0.0030 136 GLU C C 7372 O O . GLU C 137 ? 0.2962 0.2967 0.3224 0.0319 -0.0192 -0.0056 136 GLU C O 7373 C CB . GLU C 137 ? 0.2908 0.2851 0.3074 0.0304 -0.0213 -0.0033 136 GLU C CB 7374 C CG . GLU C 137 ? 0.3284 0.3140 0.3355 0.0308 -0.0241 -0.0021 136 GLU C CG 7375 C CD . GLU C 137 ? 0.3552 0.3476 0.3671 0.0330 -0.0283 -0.0043 136 GLU C CD 7376 O OE1 . GLU C 137 ? 0.3524 0.3542 0.3716 0.0306 -0.0260 -0.0051 136 GLU C OE1 7377 O OE2 . GLU C 137 ? 0.4153 0.4028 0.4234 0.0372 -0.0343 -0.0055 136 GLU C OE2 7378 N N . ASN C 138 ? 0.2591 0.2517 0.2783 0.0257 -0.0127 -0.0019 137 ASN C N 7379 C CA . ASN C 138 ? 0.2445 0.2422 0.2696 0.0258 -0.0114 -0.0032 137 ASN C CA 7380 C C . ASN C 138 ? 0.2534 0.2423 0.2727 0.0244 -0.0099 -0.0024 137 ASN C C 7381 O O . ASN C 138 ? 0.2441 0.2362 0.2671 0.0224 -0.0074 -0.0028 137 ASN C O 7382 C CB . ASN C 138 ? 0.2349 0.2424 0.2674 0.0230 -0.0082 -0.0035 137 ASN C CB 7383 C CG . ASN C 138 ? 0.2435 0.2603 0.2832 0.0244 -0.0093 -0.0057 137 ASN C CG 7384 O OD1 . ASN C 138 ? 0.2859 0.3042 0.3279 0.0273 -0.0113 -0.0078 137 ASN C OD1 7385 N ND2 . ASN C 138 ? 0.2171 0.2396 0.2600 0.0224 -0.0079 -0.0056 137 ASN C ND2 7386 N N . GLY C 139 ? 0.2687 0.2457 0.2782 0.0255 -0.0117 -0.0013 138 GLY C N 7387 C CA . GLY C 139 ? 0.2752 0.2415 0.2772 0.0238 -0.0103 -0.0005 138 GLY C CA 7388 C C . GLY C 139 ? 0.2650 0.2337 0.2713 0.0252 -0.0108 -0.0022 138 GLY C C 7389 O O . GLY C 139 ? 0.2601 0.2281 0.2669 0.0219 -0.0075 -0.0022 138 GLY C O 7390 N N . PRO C 140 ? 0.2613 0.2332 0.2712 0.0303 -0.0147 -0.0042 139 PRO C N 7391 C CA . PRO C 140 ? 0.2595 0.2333 0.2732 0.0319 -0.0149 -0.0063 139 PRO C CA 7392 C C . PRO C 140 ? 0.2364 0.2205 0.2582 0.0285 -0.0110 -0.0071 139 PRO C C 7393 O O . PRO C 140 ? 0.2170 0.1991 0.2384 0.0271 -0.0096 -0.0077 139 PRO C O 7394 C CB . PRO C 140 ? 0.2687 0.2468 0.2869 0.0378 -0.0194 -0.0091 139 PRO C CB 7395 C CG . PRO C 140 ? 0.2857 0.2565 0.2969 0.0400 -0.0232 -0.0078 139 PRO C CG 7396 C CD . PRO C 140 ? 0.2754 0.2472 0.2848 0.0350 -0.0196 -0.0051 139 PRO C CD 7397 N N . TYR C 141 ? 0.2094 0.2032 0.2373 0.0270 -0.0096 -0.0069 140 TYR C N 7398 C CA . TYR C 141 ? 0.2007 0.2021 0.2342 0.0239 -0.0066 -0.0072 140 TYR C CA 7399 C C . TYR C 141 ? 0.1934 0.1907 0.2243 0.0200 -0.0041 -0.0060 140 TYR C C 7400 O O . TYR C 141 ? 0.1911 0.1905 0.2244 0.0186 -0.0030 -0.0071 140 TYR C O 7401 C CB . TYR C 141 ? 0.1893 0.1986 0.2271 0.0228 -0.0058 -0.0067 140 TYR C CB 7402 C CG . TYR C 141 ? 0.1777 0.1923 0.2190 0.0197 -0.0035 -0.0064 140 TYR C CG 7403 C CD1 . TYR C 141 ? 0.1684 0.1885 0.2132 0.0197 -0.0029 -0.0081 140 TYR C CD1 7404 C CD2 . TYR C 141 ? 0.1687 0.1824 0.2094 0.0170 -0.0018 -0.0049 140 TYR C CD2 7405 C CE1 . TYR C 141 ? 0.1644 0.1874 0.2106 0.0172 -0.0017 -0.0077 140 TYR C CE1 7406 C CE2 . TYR C 141 ? 0.1595 0.1777 0.2036 0.0150 -0.0007 -0.0051 140 TYR C CE2 7407 C CZ . TYR C 141 ? 0.1566 0.1788 0.2027 0.0153 -0.0011 -0.0062 140 TYR C CZ 7408 O OH . TYR C 141 ? 0.1570 0.1819 0.2047 0.0137 -0.0009 -0.0062 140 TYR C OH 7409 N N . PHE C 142 ? 0.1925 0.1839 0.2185 0.0180 -0.0030 -0.0043 141 PHE C N 7410 C CA . PHE C 142 ? 0.1905 0.1795 0.2158 0.0136 0.0000 -0.0040 141 PHE C CA 7411 C C . PHE C 142 ? 0.2064 0.1875 0.2271 0.0128 0.0002 -0.0047 141 PHE C C 7412 O O . PHE C 142 ? 0.1928 0.1753 0.2161 0.0096 0.0022 -0.0058 141 PHE C O 7413 C CB . PHE C 142 ? 0.1998 0.1848 0.2211 0.0111 0.0021 -0.0027 141 PHE C CB 7414 C CG . PHE C 142 ? 0.1896 0.1824 0.2157 0.0113 0.0023 -0.0023 141 PHE C CG 7415 C CD1 . PHE C 142 ? 0.1847 0.1860 0.2183 0.0099 0.0035 -0.0031 141 PHE C CD1 7416 C CD2 . PHE C 142 ? 0.2005 0.1915 0.2232 0.0131 0.0008 -0.0012 141 PHE C CD2 7417 C CE1 . PHE C 142 ? 0.1817 0.1887 0.2187 0.0104 0.0034 -0.0028 141 PHE C CE1 7418 C CE2 . PHE C 142 ? 0.1931 0.1906 0.2198 0.0132 0.0010 -0.0009 141 PHE C CE2 7419 C CZ . PHE C 142 ? 0.1834 0.1886 0.2171 0.0117 0.0025 -0.0017 141 PHE C CZ 7420 N N . LEU C 143 ? 0.2115 0.1840 0.2256 0.0158 -0.0022 -0.0045 142 LEU C N 7421 C CA . LEU C 143 ? 0.2472 0.2111 0.2563 0.0155 -0.0024 -0.0053 142 LEU C CA 7422 C C . LEU C 143 ? 0.2307 0.2017 0.2465 0.0165 -0.0028 -0.0075 142 LEU C C 7423 O O . LEU C 143 ? 0.2213 0.1903 0.2368 0.0136 -0.0013 -0.0084 142 LEU C O 7424 C CB . LEU C 143 ? 0.2894 0.2416 0.2894 0.0195 -0.0059 -0.0048 142 LEU C CB 7425 C CG . LEU C 143 ? 0.3403 0.2817 0.3338 0.0199 -0.0066 -0.0057 142 LEU C CG 7426 C CD1 . LEU C 143 ? 0.3704 0.3041 0.3584 0.0132 -0.0025 -0.0051 142 LEU C CD1 7427 C CD2 . LEU C 143 ? 0.3802 0.3089 0.3643 0.0252 -0.0113 -0.0055 142 LEU C CD2 7428 N N . ALA C 144 ? 0.2110 0.1904 0.2324 0.0201 -0.0046 -0.0085 143 ALA C N 7429 C CA . ALA C 144 ? 0.2078 0.1936 0.2344 0.0208 -0.0045 -0.0107 143 ALA C CA 7430 C C . ALA C 144 ? 0.2056 0.1977 0.2365 0.0168 -0.0024 -0.0107 143 ALA C C 7431 O O . ALA C 144 ? 0.2070 0.1995 0.2387 0.0157 -0.0021 -0.0122 143 ALA C O 7432 C CB . ALA C 144 ? 0.2070 0.2008 0.2386 0.0245 -0.0059 -0.0121 143 ALA C CB 7433 N N . LEU C 145 ? 0.1879 0.1844 0.2214 0.0149 -0.0014 -0.0093 144 LEU C N 7434 C CA . LEU C 145 ? 0.1860 0.1881 0.2239 0.0118 -0.0002 -0.0097 144 LEU C CA 7435 C C . LEU C 145 ? 0.1929 0.1908 0.2298 0.0083 0.0011 -0.0105 144 LEU C C 7436 O O . LEU C 145 ? 0.1818 0.1825 0.2216 0.0068 0.0008 -0.0121 144 LEU C O 7437 C CB . LEU C 145 ? 0.1871 0.1937 0.2277 0.0111 0.0004 -0.0083 144 LEU C CB 7438 C CG . LEU C 145 ? 0.1913 0.2034 0.2368 0.0088 0.0009 -0.0088 144 LEU C CG 7439 C CD1 . LEU C 145 ? 0.1939 0.2103 0.2413 0.0096 -0.0006 -0.0098 144 LEU C CD1 7440 C CD2 . LEU C 145 ? 0.2014 0.2166 0.2488 0.0087 0.0016 -0.0076 144 LEU C CD2 7441 N N . ARG C 146 ? 0.1967 0.1870 0.2288 0.0067 0.0025 -0.0096 145 ARG C N 7442 C CA . ARG C 146 ? 0.2266 0.2120 0.2571 0.0024 0.0046 -0.0108 145 ARG C CA 7443 C C . ARG C 146 ? 0.2157 0.1971 0.2441 0.0028 0.0034 -0.0123 145 ARG C C 7444 O O . ARG C 146 ? 0.1962 0.1795 0.2276 -0.0002 0.0040 -0.0143 145 ARG C O 7445 C CB . ARG C 146 ? 0.2691 0.2444 0.2919 0.0002 0.0068 -0.0094 145 ARG C CB 7446 C CG . ARG C 146 ? 0.3241 0.2929 0.3440 -0.0052 0.0099 -0.0108 145 ARG C CG 7447 C CD . ARG C 146 ? 0.3831 0.3400 0.3929 -0.0078 0.0125 -0.0092 145 ARG C CD 7448 N NE . ARG C 146 ? 0.4756 0.4230 0.4798 -0.0131 0.0154 -0.0105 145 ARG C NE 7449 C CZ . ARG C 146 ? 0.5402 0.4855 0.5437 -0.0198 0.0205 -0.0118 145 ARG C CZ 7450 N NH1 . ARG C 146 ? 0.5233 0.4756 0.5318 -0.0219 0.0234 -0.0122 145 ARG C NH1 7451 N NH2 . ARG C 146 ? 0.5669 0.5024 0.5642 -0.0249 0.0231 -0.0131 145 ARG C NH2 7452 N N . GLU C 147 ? 0.2208 0.1968 0.2443 0.0067 0.0015 -0.0119 146 GLU C N 7453 C CA . GLU C 147 ? 0.2381 0.2097 0.2591 0.0076 0.0004 -0.0137 146 GLU C CA 7454 C C . GLU C 147 ? 0.2176 0.1981 0.2446 0.0079 -0.0004 -0.0155 146 GLU C C 7455 O O . GLU C 147 ? 0.2131 0.1913 0.2394 0.0060 -0.0004 -0.0174 146 GLU C O 7456 C CB . GLU C 147 ? 0.2706 0.2354 0.2862 0.0127 -0.0018 -0.0135 146 GLU C CB 7457 C CG . GLU C 147 ? 0.3233 0.2754 0.3298 0.0123 -0.0017 -0.0118 146 GLU C CG 7458 C CD . GLU C 147 ? 0.3903 0.3353 0.3914 0.0183 -0.0052 -0.0116 146 GLU C CD 7459 O OE1 . GLU C 147 ? 0.4464 0.3994 0.4531 0.0229 -0.0072 -0.0128 146 GLU C OE1 7460 O OE2 . GLU C 147 ? 0.4865 0.4173 0.4774 0.0183 -0.0060 -0.0106 146 GLU C OE2 7461 N N . MET C 148 ? 0.1980 0.1870 0.2294 0.0099 -0.0011 -0.0151 147 MET C N 7462 C CA . MET C 148 ? 0.1982 0.1937 0.2328 0.0100 -0.0019 -0.0165 147 MET C CA 7463 C C . MET C 148 ? 0.1839 0.1825 0.2219 0.0062 -0.0020 -0.0174 147 MET C C 7464 O O . MET C 148 ? 0.1842 0.1832 0.2221 0.0053 -0.0031 -0.0193 147 MET C O 7465 C CB . MET C 148 ? 0.1957 0.1982 0.2330 0.0122 -0.0022 -0.0157 147 MET C CB 7466 C CG . MET C 148 ? 0.2126 0.2194 0.2504 0.0119 -0.0029 -0.0170 147 MET C CG 7467 S SD . MET C 148 ? 0.2309 0.2436 0.2696 0.0139 -0.0023 -0.0165 147 MET C SD 7468 C CE . MET C 148 ? 0.2181 0.2344 0.2598 0.0126 -0.0026 -0.0140 147 MET C CE 7469 N N . ILE C 149 ? 0.1761 0.1770 0.2173 0.0042 -0.0010 -0.0164 148 ILE C N 7470 C CA . ILE C 149 ? 0.1734 0.1784 0.2197 0.0009 -0.0011 -0.0181 148 ILE C CA 7471 C C . ILE C 149 ? 0.1854 0.1855 0.2305 -0.0023 -0.0005 -0.0203 148 ILE C C 7472 O O . ILE C 149 ? 0.1801 0.1833 0.2283 -0.0038 -0.0022 -0.0226 148 ILE C O 7473 C CB . ILE C 149 ? 0.1654 0.1738 0.2158 -0.0006 0.0005 -0.0173 148 ILE C CB 7474 C CG1 . ILE C 149 ? 0.1537 0.1678 0.2063 0.0021 -0.0008 -0.0158 148 ILE C CG1 7475 C CG2 . ILE C 149 ? 0.1694 0.1820 0.2264 -0.0044 0.0010 -0.0201 148 ILE C CG2 7476 C CD1 . ILE C 149 ? 0.1474 0.1635 0.2024 0.0015 0.0010 -0.0147 148 ILE C CD1 7477 N N . GLU C 150 ? 0.1964 0.1879 0.2361 -0.0034 0.0015 -0.0196 149 GLU C N 7478 C CA . GLU C 150 ? 0.2184 0.2032 0.2553 -0.0071 0.0025 -0.0216 149 GLU C CA 7479 C C . GLU C 150 ? 0.2210 0.2043 0.2557 -0.0054 0.0001 -0.0232 149 GLU C C 7480 O O . GLU C 150 ? 0.2194 0.2029 0.2558 -0.0085 -0.0003 -0.0259 149 GLU C O 7481 C CB . GLU C 150 ? 0.2435 0.2167 0.2722 -0.0081 0.0049 -0.0201 149 GLU C CB 7482 C CG . GLU C 150 ? 0.2625 0.2361 0.2921 -0.0112 0.0080 -0.0190 149 GLU C CG 7483 C CD . GLU C 150 ? 0.3070 0.2666 0.3259 -0.0130 0.0104 -0.0174 149 GLU C CD 7484 O OE1 . GLU C 150 ? 0.3702 0.3194 0.3812 -0.0116 0.0092 -0.0172 149 GLU C OE1 7485 O OE2 . GLU C 150 ? 0.3062 0.2639 0.3236 -0.0161 0.0136 -0.0166 149 GLU C OE2 7486 N N A GLU C 151 ? 0.2155 0.1976 0.2467 -0.0007 -0.0011 -0.0222 150 GLU C N 7487 N N B GLU C 151 ? 0.2219 0.2041 0.2532 -0.0007 -0.0011 -0.0222 150 GLU C N 7488 C CA A GLU C 151 ? 0.2200 0.2007 0.2487 0.0009 -0.0027 -0.0240 150 GLU C CA 7489 C CA B GLU C 151 ? 0.2298 0.2106 0.2585 0.0009 -0.0027 -0.0240 150 GLU C CA 7490 C C A GLU C 151 ? 0.2070 0.1952 0.2398 0.0000 -0.0047 -0.0256 150 GLU C C 7491 C C B GLU C 151 ? 0.2121 0.2004 0.2450 0.0000 -0.0048 -0.0256 150 GLU C C 7492 O O A GLU C 151 ? 0.2052 0.1914 0.2364 -0.0015 -0.0060 -0.0280 150 GLU C O 7493 O O B GLU C 151 ? 0.2096 0.1958 0.2408 -0.0015 -0.0060 -0.0280 150 GLU C O 7494 C CB A GLU C 151 ? 0.2308 0.2109 0.2568 0.0060 -0.0030 -0.0232 150 GLU C CB 7495 C CB B GLU C 151 ? 0.2496 0.2294 0.2753 0.0060 -0.0031 -0.0233 150 GLU C CB 7496 C CG A GLU C 151 ? 0.2493 0.2295 0.2731 0.0080 -0.0040 -0.0255 150 GLU C CG 7497 C CG B GLU C 151 ? 0.2874 0.2574 0.3076 0.0078 -0.0025 -0.0227 150 GLU C CG 7498 C CD A GLU C 151 ? 0.2608 0.2423 0.2840 0.0127 -0.0036 -0.0255 150 GLU C CD 7499 C CD B GLU C 151 ? 0.3136 0.2812 0.3312 0.0129 -0.0035 -0.0240 150 GLU C CD 7500 O OE1 A GLU C 151 ? 0.2866 0.2640 0.3085 0.0151 -0.0035 -0.0244 150 GLU C OE1 7501 O OE1 B GLU C 151 ? 0.3538 0.3247 0.3721 0.0138 -0.0038 -0.0263 150 GLU C OE1 7502 O OE2 A GLU C 151 ? 0.2677 0.2538 0.2912 0.0137 -0.0035 -0.0268 150 GLU C OE2 7503 O OE2 B GLU C 151 ? 0.3285 0.2904 0.3430 0.0160 -0.0041 -0.0232 150 GLU C OE2 7504 N N . MET C 152 ? 0.1883 0.1841 0.2254 0.0007 -0.0055 -0.0244 151 MET C N 7505 C CA . MET C 152 ? 0.1912 0.1924 0.2306 0.0004 -0.0083 -0.0256 151 MET C CA 7506 C C . MET C 152 ? 0.1930 0.1963 0.2373 -0.0033 -0.0096 -0.0282 151 MET C C 7507 O O . MET C 152 ? 0.2015 0.2055 0.2454 -0.0040 -0.0125 -0.0304 151 MET C O 7508 C CB . MET C 152 ? 0.1864 0.1936 0.2283 0.0022 -0.0089 -0.0236 151 MET C CB 7509 C CG . MET C 152 ? 0.1906 0.1970 0.2283 0.0053 -0.0077 -0.0220 151 MET C CG 7510 S SD . MET C 152 ? 0.2010 0.2131 0.2410 0.0067 -0.0079 -0.0196 151 MET C SD 7511 C CE . MET C 152 ? 0.1986 0.2116 0.2357 0.0065 -0.0114 -0.0206 151 MET C CE 7512 N N . TYR C 153 ? 0.1928 0.1969 0.2415 -0.0060 -0.0074 -0.0282 152 TYR C N 7513 C CA . TYR C 153 ? 0.1920 0.1988 0.2468 -0.0103 -0.0076 -0.0314 152 TYR C CA 7514 C C . TYR C 153 ? 0.2064 0.2070 0.2572 -0.0127 -0.0081 -0.0338 152 TYR C C 7515 O O . TYR C 153 ? 0.2106 0.2144 0.2650 -0.0147 -0.0109 -0.0372 152 TYR C O 7516 C CB . TYR C 153 ? 0.1906 0.1972 0.2485 -0.0134 -0.0035 -0.0310 152 TYR C CB 7517 C CG . TYR C 153 ? 0.2041 0.2122 0.2677 -0.0192 -0.0019 -0.0348 152 TYR C CG 7518 C CD1 . TYR C 153 ? 0.2098 0.2283 0.2843 -0.0209 -0.0032 -0.0380 152 TYR C CD1 7519 C CD2 . TYR C 153 ? 0.2169 0.2158 0.2749 -0.0230 0.0007 -0.0356 152 TYR C CD2 7520 C CE1 . TYR C 153 ? 0.2202 0.2415 0.3016 -0.0267 -0.0014 -0.0424 152 TYR C CE1 7521 C CE2 . TYR C 153 ? 0.2370 0.2370 0.2999 -0.0292 0.0028 -0.0394 152 TYR C CE2 7522 C CZ . TYR C 153 ? 0.2306 0.2426 0.3059 -0.0312 0.0019 -0.0430 152 TYR C CZ 7523 O OH . TYR C 153 ? 0.2633 0.2776 0.3447 -0.0378 0.0043 -0.0476 152 TYR C OH 7524 N N . GLN C 154 ? 0.2252 0.2166 0.2683 -0.0121 -0.0058 -0.0325 153 GLN C N 7525 C CA . GLN C 154 ? 0.2407 0.2247 0.2790 -0.0142 -0.0060 -0.0347 153 GLN C CA 7526 C C . GLN C 154 ? 0.2691 0.2534 0.3041 -0.0117 -0.0094 -0.0361 153 GLN C C 7527 O O . GLN C 154 ? 0.2814 0.2639 0.3159 -0.0143 -0.0111 -0.0392 153 GLN C O 7528 C CB . GLN C 154 ? 0.2482 0.2210 0.2784 -0.0134 -0.0032 -0.0330 153 GLN C CB 7529 C CG . GLN C 154 ? 0.2524 0.2218 0.2830 -0.0174 0.0002 -0.0322 153 GLN C CG 7530 C CD . GLN C 154 ? 0.2748 0.2297 0.2954 -0.0183 0.0023 -0.0315 153 GLN C CD 7531 O OE1 . GLN C 154 ? 0.2972 0.2458 0.3113 -0.0134 0.0011 -0.0301 153 GLN C OE1 7532 N NE2 . GLN C 154 ? 0.2778 0.2269 0.2969 -0.0245 0.0051 -0.0329 153 GLN C NE2 7533 N N . LEU C 155 ? 0.2671 0.2528 0.2992 -0.0072 -0.0100 -0.0341 154 LEU C N 7534 C CA . LEU C 155 ? 0.2949 0.2798 0.3222 -0.0052 -0.0123 -0.0354 154 LEU C CA 7535 C C . LEU C 155 ? 0.2987 0.2892 0.3289 -0.0063 -0.0164 -0.0370 154 LEU C C 7536 O O . LEU C 155 ? 0.3061 0.2941 0.3326 -0.0072 -0.0189 -0.0395 154 LEU C O 7537 C CB . LEU C 155 ? 0.3041 0.2895 0.3278 -0.0009 -0.0111 -0.0332 154 LEU C CB 7538 C CG . LEU C 155 ? 0.3384 0.3178 0.3581 0.0016 -0.0084 -0.0327 154 LEU C CG 7539 C CD1 . LEU C 155 ? 0.3513 0.3344 0.3707 0.0053 -0.0072 -0.0311 154 LEU C CD1 7540 C CD2 . LEU C 155 ? 0.3665 0.3389 0.3803 0.0017 -0.0086 -0.0356 154 LEU C CD2 7541 N N . TYR C 156 ? 0.2910 0.2887 0.3274 -0.0060 -0.0176 -0.0359 155 TYR C N 7542 C CA . TYR C 156 ? 0.3051 0.3075 0.3432 -0.0056 -0.0224 -0.0372 155 TYR C CA 7543 C C . TYR C 156 ? 0.3285 0.3365 0.3762 -0.0087 -0.0249 -0.0404 155 TYR C C 7544 O O . TYR C 156 ? 0.3553 0.3674 0.4056 -0.0081 -0.0299 -0.0422 155 TYR C O 7545 C CB . TYR C 156 ? 0.2963 0.3016 0.3332 -0.0024 -0.0231 -0.0343 155 TYR C CB 7546 C CG . TYR C 156 ? 0.2890 0.2899 0.3182 -0.0001 -0.0198 -0.0320 155 TYR C CG 7547 C CD1 . TYR C 156 ? 0.3003 0.2958 0.3209 0.0003 -0.0200 -0.0333 155 TYR C CD1 7548 C CD2 . TYR C 156 ? 0.2689 0.2713 0.2998 0.0013 -0.0163 -0.0293 155 TYR C CD2 7549 C CE1 . TYR C 156 ? 0.2992 0.2921 0.3145 0.0022 -0.0164 -0.0323 155 TYR C CE1 7550 C CE2 . TYR C 156 ? 0.2728 0.2726 0.2986 0.0034 -0.0135 -0.0282 155 TYR C CE2 7551 C CZ . TYR C 156 ? 0.2902 0.2858 0.3089 0.0038 -0.0133 -0.0299 155 TYR C CZ 7552 O OH . TYR C 156 ? 0.2933 0.2878 0.3086 0.0058 -0.0100 -0.0297 155 TYR C OH 7553 N N . GLY C 157 ? 0.3315 0.3393 0.3839 -0.0122 -0.0213 -0.0414 156 GLY C N 7554 C CA . GLY C 157 ? 0.3259 0.3386 0.3873 -0.0165 -0.0225 -0.0456 156 GLY C CA 7555 C C . GLY C 157 ? 0.3016 0.3245 0.3746 -0.0168 -0.0231 -0.0467 156 GLY C C 7556 O O . GLY C 157 ? 0.2882 0.3177 0.3704 -0.0194 -0.0256 -0.0512 156 GLY C O 7557 N N . GLY C 158 ? 0.2581 0.2826 0.3312 -0.0141 -0.0210 -0.0432 157 GLY C N 7558 C CA . GLY C 158 ? 0.2387 0.2720 0.3225 -0.0147 -0.0205 -0.0445 157 GLY C CA 7559 C C . GLY C 158 ? 0.2199 0.2529 0.3019 -0.0121 -0.0174 -0.0403 157 GLY C C 7560 O O . GLY C 158 ? 0.2124 0.2392 0.2852 -0.0095 -0.0162 -0.0364 157 GLY C O 7561 N N . PRO C 159 ? 0.2028 0.2433 0.2942 -0.0127 -0.0162 -0.0416 158 PRO C N 7562 C CA . PRO C 159 ? 0.1982 0.2384 0.2882 -0.0109 -0.0130 -0.0380 158 PRO C CA 7563 C C . PRO C 159 ? 0.1969 0.2367 0.2822 -0.0055 -0.0168 -0.0350 158 PRO C C 7564 O O . PRO C 159 ? 0.1985 0.2395 0.2831 -0.0032 -0.0223 -0.0361 158 PRO C O 7565 C CB . PRO C 159 ? 0.1963 0.2451 0.2982 -0.0133 -0.0109 -0.0414 158 PRO C CB 7566 C CG . PRO C 159 ? 0.2044 0.2605 0.3158 -0.0147 -0.0152 -0.0470 158 PRO C CG 7567 C CD . PRO C 159 ? 0.2084 0.2578 0.3126 -0.0162 -0.0167 -0.0472 158 PRO C CD 7568 N N . VAL C 160 ? 0.1900 0.2273 0.2712 -0.0040 -0.0136 -0.0312 159 VAL C N 7569 C CA . VAL C 160 ? 0.1984 0.2333 0.2730 0.0000 -0.0155 -0.0278 159 VAL C CA 7570 C C . VAL C 160 ? 0.1779 0.2180 0.2575 0.0023 -0.0172 -0.0276 159 VAL C C 7571 O O . VAL C 160 ? 0.1785 0.2233 0.2656 0.0009 -0.0148 -0.0290 159 VAL C O 7572 C CB . VAL C 160 ? 0.2115 0.2407 0.2792 0.0002 -0.0112 -0.0243 159 VAL C CB 7573 C CG1 . VAL C 160 ? 0.2307 0.2588 0.2931 0.0035 -0.0120 -0.0212 159 VAL C CG1 7574 C CG2 . VAL C 160 ? 0.2356 0.2588 0.2978 -0.0011 -0.0101 -0.0246 159 VAL C CG2 7575 N N . VAL C 161 ? 0.1670 0.2055 0.2417 0.0055 -0.0211 -0.0261 160 VAL C N 7576 C CA . VAL C 161 ? 0.1591 0.1999 0.2359 0.0082 -0.0228 -0.0253 160 VAL C CA 7577 C C . VAL C 161 ? 0.1692 0.2060 0.2390 0.0090 -0.0196 -0.0211 160 VAL C C 7578 O O . VAL C 161 ? 0.1768 0.2085 0.2380 0.0094 -0.0196 -0.0192 160 VAL C O 7579 C CB . VAL C 161 ? 0.1630 0.2029 0.2376 0.0111 -0.0297 -0.0263 160 VAL C CB 7580 C CG1 . VAL C 161 ? 0.1627 0.2029 0.2373 0.0142 -0.0316 -0.0250 160 VAL C CG1 7581 C CG2 . VAL C 161 ? 0.1712 0.2166 0.2547 0.0107 -0.0338 -0.0312 160 VAL C CG2 7582 N N . LEU C 162 ? 0.1662 0.2054 0.2397 0.0090 -0.0167 -0.0203 161 LEU C N 7583 C CA . LEU C 162 ? 0.1690 0.2053 0.2372 0.0099 -0.0142 -0.0169 161 LEU C CA 7584 C C . LEU C 162 ? 0.1584 0.1940 0.2245 0.0125 -0.0175 -0.0160 161 LEU C C 7585 O O . LEU C 162 ? 0.1542 0.1933 0.2264 0.0138 -0.0198 -0.0179 161 LEU C O 7586 C CB . LEU C 162 ? 0.1818 0.2197 0.2537 0.0084 -0.0097 -0.0165 161 LEU C CB 7587 C CG . LEU C 162 ? 0.2059 0.2422 0.2781 0.0056 -0.0063 -0.0172 161 LEU C CG 7588 C CD1 . LEU C 162 ? 0.2043 0.2408 0.2787 0.0036 -0.0020 -0.0171 161 LEU C CD1 7589 C CD2 . LEU C 162 ? 0.2348 0.2659 0.2994 0.0060 -0.0057 -0.0151 161 LEU C CD2 7590 N N . VAL C 163 ? 0.1461 0.1770 0.2037 0.0131 -0.0175 -0.0134 162 VAL C N 7591 C CA . VAL C 163 ? 0.1550 0.1830 0.2083 0.0150 -0.0202 -0.0121 162 VAL C CA 7592 C C . VAL C 163 ? 0.1559 0.1826 0.2060 0.0143 -0.0164 -0.0096 162 VAL C C 7593 O O . VAL C 163 ? 0.1669 0.1918 0.2123 0.0130 -0.0140 -0.0085 162 VAL C O 7594 C CB . VAL C 163 ? 0.1704 0.1923 0.2145 0.0155 -0.0238 -0.0118 162 VAL C CB 7595 C CG1 . VAL C 163 ? 0.1809 0.1975 0.2186 0.0172 -0.0267 -0.0103 162 VAL C CG1 7596 C CG2 . VAL C 163 ? 0.1719 0.1951 0.2191 0.0161 -0.0282 -0.0146 162 VAL C CG2 7597 N N . ALA C 164 ? 0.1468 0.1746 0.1996 0.0153 -0.0160 -0.0091 163 ALA C N 7598 C CA . ALA C 164 ? 0.1477 0.1747 0.1981 0.0145 -0.0126 -0.0071 163 ALA C CA 7599 C C . ALA C 164 ? 0.1498 0.1732 0.1960 0.0156 -0.0143 -0.0059 163 ALA C C 7600 O O . ALA C 164 ? 0.1539 0.1767 0.2019 0.0176 -0.0177 -0.0070 163 ALA C O 7601 C CB . ALA C 164 ? 0.1421 0.1728 0.1985 0.0139 -0.0094 -0.0075 163 ALA C CB 7602 N N . HIS C 165 ? 0.1534 0.1743 0.1942 0.0142 -0.0121 -0.0041 164 HIS C N 7603 C CA . HIS C 165 ? 0.1629 0.1792 0.1985 0.0145 -0.0131 -0.0028 164 HIS C CA 7604 C C . HIS C 165 ? 0.1601 0.1785 0.1980 0.0138 -0.0101 -0.0021 164 HIS C C 7605 O O . HIS C 165 ? 0.1507 0.1720 0.1900 0.0123 -0.0072 -0.0019 164 HIS C O 7606 C CB . HIS C 165 ? 0.1756 0.1860 0.2014 0.0125 -0.0130 -0.0017 164 HIS C CB 7607 C CG . HIS C 165 ? 0.1900 0.1938 0.2086 0.0120 -0.0137 -0.0003 164 HIS C CG 7608 N ND1 . HIS C 165 ? 0.2030 0.2054 0.2173 0.0090 -0.0103 0.0005 164 HIS C ND1 7609 C CD2 . HIS C 165 ? 0.2011 0.1990 0.2160 0.0141 -0.0176 -0.0001 164 HIS C CD2 7610 C CE1 . HIS C 165 ? 0.2188 0.2139 0.2261 0.0087 -0.0117 0.0015 164 HIS C CE1 7611 N NE2 . HIS C 165 ? 0.2250 0.2167 0.2321 0.0121 -0.0163 0.0013 164 HIS C NE2 7612 N N . SER C 166 ? 0.1696 0.1859 0.2075 0.0151 -0.0113 -0.0020 165 SER C N 7613 C CA . SER C 166 ? 0.1820 0.1984 0.2199 0.0143 -0.0090 -0.0013 165 SER C CA 7614 C C . SER C 166 ? 0.1715 0.1933 0.2153 0.0138 -0.0061 -0.0018 165 SER C C 7615 O O . SER C 166 ? 0.1677 0.1926 0.2170 0.0147 -0.0060 -0.0031 165 SER C O 7616 C CB . SER C 166 ? 0.2076 0.2200 0.2381 0.0118 -0.0079 0.0000 165 SER C CB 7617 O OG . SER C 166 ? 0.2367 0.2476 0.2661 0.0112 -0.0069 0.0005 165 SER C OG 7618 N N . MET C 167 ? 0.1633 0.1858 0.2056 0.0122 -0.0040 -0.0010 166 MET C N 7619 C CA . MET C 167 ? 0.1773 0.2026 0.2228 0.0121 -0.0020 -0.0012 166 MET C CA 7620 C C . MET C 167 ? 0.1537 0.1811 0.2019 0.0122 -0.0016 -0.0019 166 MET C C 7621 O O . MET C 167 ? 0.1490 0.1770 0.1992 0.0121 -0.0003 -0.0022 166 MET C O 7622 C CB . MET C 167 ? 0.1952 0.2210 0.2386 0.0109 -0.0010 -0.0006 166 MET C CB 7623 C CG . MET C 167 ? 0.2189 0.2456 0.2635 0.0112 0.0000 -0.0007 166 MET C CG 7624 S SD . MET C 167 ? 0.2309 0.2587 0.2739 0.0105 -0.0001 -0.0008 166 MET C SD 7625 C CE . MET C 167 ? 0.2301 0.2613 0.2750 0.0108 -0.0004 -0.0019 166 MET C CE 7626 N N . GLY C 168 ? 0.1478 0.1753 0.1951 0.0121 -0.0028 -0.0021 167 GLY C N 7627 C CA . GLY C 168 ? 0.1444 0.1731 0.1939 0.0122 -0.0027 -0.0030 167 GLY C CA 7628 C C . GLY C 168 ? 0.1466 0.1766 0.2007 0.0125 -0.0027 -0.0043 167 GLY C C 7629 O O . GLY C 168 ? 0.1562 0.1867 0.2123 0.0118 -0.0016 -0.0050 167 GLY C O 7630 N N . ASN C 169 ? 0.1502 0.1805 0.2063 0.0134 -0.0038 -0.0049 168 ASN C N 7631 C CA . ASN C 169 ? 0.1514 0.1845 0.2137 0.0135 -0.0032 -0.0070 168 ASN C CA 7632 C C . ASN C 169 ? 0.1574 0.1906 0.2206 0.0120 0.0004 -0.0072 168 ASN C C 7633 O O . ASN C 169 ? 0.1498 0.1847 0.2168 0.0106 0.0023 -0.0090 168 ASN C O 7634 C CB . ASN C 169 ? 0.1590 0.1926 0.2236 0.0156 -0.0056 -0.0082 168 ASN C CB 7635 C CG . ASN C 169 ? 0.1663 0.1985 0.2294 0.0172 -0.0099 -0.0086 168 ASN C CG 7636 O OD1 . ASN C 169 ? 0.1824 0.2172 0.2497 0.0175 -0.0115 -0.0105 168 ASN C OD1 7637 N ND2 . ASN C 169 ? 0.1764 0.2038 0.2326 0.0178 -0.0118 -0.0067 168 ASN C ND2 7638 N N . MET C 170 ? 0.1709 0.2016 0.2299 0.0119 0.0015 -0.0055 169 MET C N 7639 C CA . MET C 170 ? 0.1772 0.2061 0.2346 0.0106 0.0045 -0.0053 169 MET C CA 7640 C C . MET C 170 ? 0.1688 0.1950 0.2228 0.0095 0.0054 -0.0045 169 MET C C 7641 O O . MET C 170 ? 0.1673 0.1911 0.2202 0.0077 0.0080 -0.0050 169 MET C O 7642 C CB . MET C 170 ? 0.2111 0.2378 0.2646 0.0111 0.0045 -0.0041 169 MET C CB 7643 C CG . MET C 170 ? 0.2459 0.2737 0.3022 0.0121 0.0043 -0.0053 169 MET C CG 7644 S SD . MET C 170 ? 0.3092 0.3380 0.3689 0.0108 0.0084 -0.0079 169 MET C SD 7645 C CE . MET C 170 ? 0.3123 0.3355 0.3638 0.0095 0.0104 -0.0060 169 MET C CE 7646 N N . TYR C 171 ? 0.1580 0.1840 0.2100 0.0104 0.0034 -0.0035 170 TYR C N 7647 C CA . TYR C 171 ? 0.1637 0.1872 0.2134 0.0101 0.0036 -0.0032 170 TYR C CA 7648 C C . TYR C 171 ? 0.1644 0.1882 0.2170 0.0086 0.0046 -0.0048 170 TYR C C 7649 O O . TYR C 171 ? 0.1621 0.1818 0.2120 0.0072 0.0064 -0.0049 170 TYR C O 7650 C CB . TYR C 171 ? 0.1676 0.1925 0.2165 0.0115 0.0015 -0.0029 170 TYR C CB 7651 C CG . TYR C 171 ? 0.1667 0.1901 0.2126 0.0126 0.0009 -0.0021 170 TYR C CG 7652 C CD1 . TYR C 171 ? 0.1638 0.1880 0.2089 0.0127 0.0007 -0.0015 170 TYR C CD1 7653 C CD2 . TYR C 171 ? 0.1679 0.1889 0.2118 0.0137 0.0001 -0.0023 170 TYR C CD2 7654 C CE1 . TYR C 171 ? 0.1592 0.1829 0.2024 0.0137 -0.0004 -0.0014 170 TYR C CE1 7655 C CE2 . TYR C 171 ? 0.1754 0.1956 0.2174 0.0154 -0.0012 -0.0022 170 TYR C CE2 7656 C CZ . TYR C 171 ? 0.1698 0.1918 0.2118 0.0153 -0.0016 -0.0019 170 TYR C CZ 7657 O OH . TYR C 171 ? 0.1728 0.1945 0.2136 0.0170 -0.0036 -0.0023 170 TYR C OH 7658 N N . THR C 172 ? 0.1618 0.1897 0.2191 0.0089 0.0034 -0.0061 171 THR C N 7659 C CA . THR C 172 ? 0.1598 0.1892 0.2211 0.0074 0.0038 -0.0082 171 THR C CA 7660 C C . THR C 172 ? 0.1684 0.1984 0.2329 0.0050 0.0072 -0.0100 171 THR C C 7661 O O . THR C 172 ? 0.1636 0.1918 0.2281 0.0023 0.0094 -0.0112 171 THR C O 7662 C CB . THR C 172 ? 0.1683 0.2016 0.2336 0.0087 0.0006 -0.0095 171 THR C CB 7663 O OG1 . THR C 172 ? 0.1749 0.2067 0.2358 0.0100 -0.0014 -0.0080 171 THR C OG1 7664 C CG2 . THR C 172 ? 0.1790 0.2147 0.2492 0.0072 0.0004 -0.0122 171 THR C CG2 7665 N N . LEU C 173 ? 0.1681 0.2002 0.2347 0.0055 0.0080 -0.0104 172 LEU C N 7666 C CA . LEU C 173 ? 0.1710 0.2037 0.2403 0.0029 0.0121 -0.0126 172 LEU C CA 7667 C C . LEU C 173 ? 0.1816 0.2068 0.2428 0.0002 0.0156 -0.0111 172 LEU C C 7668 O O . LEU C 173 ? 0.1795 0.2029 0.2408 -0.0034 0.0194 -0.0129 172 LEU C O 7669 C CB . LEU C 173 ? 0.1724 0.2080 0.2447 0.0044 0.0123 -0.0134 172 LEU C CB 7670 C CG . LEU C 173 ? 0.1886 0.2256 0.2642 0.0017 0.0173 -0.0164 172 LEU C CG 7671 C CD1 . LEU C 173 ? 0.1958 0.2390 0.2808 -0.0003 0.0188 -0.0207 172 LEU C CD1 7672 C CD2 . LEU C 173 ? 0.1917 0.2307 0.2693 0.0040 0.0170 -0.0170 172 LEU C CD2 7673 N N . TYR C 174 ? 0.1778 0.1980 0.2315 0.0019 0.0142 -0.0081 173 TYR C N 7674 C CA . TYR C 174 ? 0.1912 0.2026 0.2357 0.0003 0.0160 -0.0065 173 TYR C CA 7675 C C . TYR C 174 ? 0.1869 0.1945 0.2293 -0.0014 0.0165 -0.0069 173 TYR C C 7676 O O . TYR C 174 ? 0.2089 0.2099 0.2461 -0.0050 0.0200 -0.0073 173 TYR C O 7677 C CB . TYR C 174 ? 0.1954 0.2036 0.2341 0.0033 0.0127 -0.0038 173 TYR C CB 7678 C CG . TYR C 174 ? 0.2166 0.2148 0.2450 0.0030 0.0128 -0.0022 173 TYR C CG 7679 C CD1 . TYR C 174 ? 0.2404 0.2323 0.2615 0.0018 0.0144 -0.0014 173 TYR C CD1 7680 C CD2 . TYR C 174 ? 0.2319 0.2263 0.2573 0.0042 0.0105 -0.0015 173 TYR C CD2 7681 C CE1 . TYR C 174 ? 0.2609 0.2421 0.2709 0.0020 0.0134 0.0001 173 TYR C CE1 7682 C CE2 . TYR C 174 ? 0.2461 0.2302 0.2614 0.0047 0.0095 -0.0001 173 TYR C CE2 7683 C CZ . TYR C 174 ? 0.2706 0.2477 0.2778 0.0037 0.0107 0.0008 173 TYR C CZ 7684 O OH . TYR C 174 ? 0.3010 0.2662 0.2966 0.0046 0.0087 0.0023 173 TYR C OH 7685 N N . PHE C 175 ? 0.1779 0.1885 0.2234 0.0006 0.0133 -0.0067 174 PHE C N 7686 C CA . PHE C 175 ? 0.1753 0.1821 0.2188 -0.0007 0.0133 -0.0073 174 PHE C CA 7687 C C . PHE C 175 ? 0.1813 0.1896 0.2292 -0.0052 0.0171 -0.0102 174 PHE C C 7688 O O . PHE C 175 ? 0.1949 0.1959 0.2371 -0.0086 0.0199 -0.0104 174 PHE C O 7689 C CB . PHE C 175 ? 0.1767 0.1878 0.2238 0.0019 0.0096 -0.0073 174 PHE C CB 7690 C CG . PHE C 175 ? 0.1800 0.1882 0.2262 0.0006 0.0095 -0.0084 174 PHE C CG 7691 C CD1 . PHE C 175 ? 0.1930 0.1923 0.2312 0.0011 0.0092 -0.0071 174 PHE C CD1 7692 C CD2 . PHE C 175 ? 0.1758 0.1895 0.2286 -0.0005 0.0090 -0.0107 174 PHE C CD2 7693 C CE1 . PHE C 175 ? 0.2014 0.1970 0.2381 -0.0001 0.0091 -0.0082 174 PHE C CE1 7694 C CE2 . PHE C 175 ? 0.1831 0.1937 0.2347 -0.0019 0.0088 -0.0119 174 PHE C CE2 7695 C CZ . PHE C 175 ? 0.1946 0.1961 0.2381 -0.0019 0.0091 -0.0106 174 PHE C CZ 7696 N N . LEU C 176 ? 0.1697 0.1874 0.2275 -0.0052 0.0169 -0.0127 175 LEU C N 7697 C CA . LEU C 176 ? 0.1855 0.2074 0.2504 -0.0091 0.0198 -0.0165 175 LEU C CA 7698 C C . LEU C 176 ? 0.2002 0.2188 0.2627 -0.0136 0.0258 -0.0179 175 LEU C C 7699 O O . LEU C 176 ? 0.2139 0.2309 0.2772 -0.0186 0.0298 -0.0204 175 LEU C O 7700 C CB . LEU C 176 ? 0.1750 0.2078 0.2513 -0.0070 0.0171 -0.0193 175 LEU C CB 7701 C CG . LEU C 176 ? 0.1694 0.2046 0.2473 -0.0038 0.0117 -0.0187 175 LEU C CG 7702 C CD1 . LEU C 176 ? 0.1690 0.2126 0.2559 -0.0012 0.0083 -0.0210 175 LEU C CD1 7703 C CD2 . LEU C 176 ? 0.1800 0.2133 0.2578 -0.0063 0.0117 -0.0201 175 LEU C CD2 7704 N N . GLN C 177 ? 0.2134 0.2305 0.2726 -0.0125 0.0270 -0.0165 176 GLN C N 7705 C CA . GLN C 177 ? 0.2340 0.2463 0.2887 -0.0170 0.0331 -0.0177 176 GLN C CA 7706 C C . GLN C 177 ? 0.2582 0.2570 0.2995 -0.0206 0.0357 -0.0157 176 GLN C C 7707 O O . GLN C 177 ? 0.2765 0.2706 0.3140 -0.0262 0.0416 -0.0175 176 GLN C O 7708 C CB . GLN C 177 ? 0.2369 0.2483 0.2882 -0.0147 0.0331 -0.0161 176 GLN C CB 7709 C CG . GLN C 177 ? 0.2326 0.2555 0.2960 -0.0124 0.0323 -0.0189 176 GLN C CG 7710 C CD . GLN C 177 ? 0.2462 0.2671 0.3055 -0.0105 0.0327 -0.0176 176 GLN C CD 7711 O OE1 . GLN C 177 ? 0.2687 0.2810 0.3170 -0.0099 0.0319 -0.0141 176 GLN C OE1 7712 N NE2 . GLN C 177 ? 0.2497 0.2787 0.3184 -0.0093 0.0334 -0.0208 176 GLN C NE2 7713 N N . ARG C 178 ? 0.2578 0.2501 0.2919 -0.0175 0.0313 -0.0123 177 ARG C N 7714 C CA . ARG C 178 ? 0.2964 0.2743 0.3168 -0.0196 0.0322 -0.0102 177 ARG C CA 7715 C C . ARG C 178 ? 0.2903 0.2657 0.3110 -0.0220 0.0323 -0.0114 177 ARG C C 7716 O O . ARG C 178 ? 0.3056 0.2677 0.3141 -0.0235 0.0327 -0.0097 177 ARG C O 7717 C CB . ARG C 178 ? 0.3278 0.2993 0.3396 -0.0144 0.0271 -0.0063 177 ARG C CB 7718 C CG . ARG C 178 ? 0.3787 0.3483 0.3860 -0.0141 0.0284 -0.0053 177 ARG C CG 7719 C CD . ARG C 178 ? 0.4245 0.3924 0.4278 -0.0085 0.0229 -0.0025 177 ARG C CD 7720 N NE . ARG C 178 ? 0.4952 0.4652 0.4983 -0.0086 0.0244 -0.0025 177 ARG C NE 7721 C CZ . ARG C 178 ? 0.5590 0.5189 0.5503 -0.0092 0.0250 -0.0009 177 ARG C CZ 7722 N NH1 . ARG C 178 ? 0.6107 0.5564 0.5881 -0.0095 0.0238 0.0009 177 ARG C NH1 7723 N NH2 . ARG C 178 ? 0.5548 0.5182 0.5475 -0.0092 0.0264 -0.0014 177 ARG C NH2 7724 N N . GLN C 179 ? 0.2611 0.2477 0.2945 -0.0224 0.0318 -0.0144 178 GLN C N 7725 C CA . GLN C 179 ? 0.2624 0.2467 0.2963 -0.0255 0.0324 -0.0162 178 GLN C CA 7726 C C . GLN C 179 ? 0.2668 0.2543 0.3062 -0.0327 0.0388 -0.0206 178 GLN C C 7727 O O . GLN C 179 ? 0.2465 0.2450 0.2966 -0.0332 0.0406 -0.0235 178 GLN C O 7728 C CB . GLN C 179 ? 0.2580 0.2520 0.3017 -0.0217 0.0273 -0.0172 178 GLN C CB 7729 C CG . GLN C 179 ? 0.2625 0.2560 0.3033 -0.0151 0.0216 -0.0138 178 GLN C CG 7730 C CD . GLN C 179 ? 0.3026 0.2828 0.3299 -0.0136 0.0208 -0.0105 178 GLN C CD 7731 O OE1 . GLN C 179 ? 0.3327 0.3035 0.3529 -0.0154 0.0213 -0.0104 178 GLN C OE1 7732 N NE2 . GLN C 179 ? 0.3302 0.3093 0.3538 -0.0100 0.0190 -0.0081 178 GLN C NE2 7733 N N . PRO C 180 ? 0.2727 0.2508 0.3052 -0.0384 0.0424 -0.0215 179 PRO C N 7734 C CA . PRO C 180 ? 0.2770 0.2592 0.3159 -0.0461 0.0490 -0.0265 179 PRO C CA 7735 C C . PRO C 180 ? 0.2632 0.2633 0.3213 -0.0453 0.0471 -0.0314 179 PRO C C 7736 O O . PRO C 180 ? 0.2453 0.2503 0.3083 -0.0405 0.0409 -0.0307 179 PRO C O 7737 C CB . PRO C 180 ? 0.2941 0.2622 0.3217 -0.0512 0.0512 -0.0261 179 PRO C CB 7738 C CG . PRO C 180 ? 0.3026 0.2556 0.3138 -0.0465 0.0471 -0.0204 179 PRO C CG 7739 C CD . PRO C 180 ? 0.2846 0.2475 0.3030 -0.0379 0.0404 -0.0183 179 PRO C CD 7740 N N . GLN C 181 ? 0.2693 0.2786 0.3380 -0.0500 0.0523 -0.0366 180 GLN C N 7741 C CA . GLN C 181 ? 0.2656 0.2922 0.3533 -0.0491 0.0500 -0.0421 180 GLN C CA 7742 C C . GLN C 181 ? 0.2514 0.2787 0.3423 -0.0506 0.0472 -0.0438 180 GLN C C 7743 O O . GLN C 181 ? 0.2369 0.2741 0.3379 -0.0461 0.0410 -0.0453 180 GLN C O 7744 C CB . GLN C 181 ? 0.2816 0.3178 0.3807 -0.0548 0.0571 -0.0486 180 GLN C CB 7745 C CG . GLN C 181 ? 0.2810 0.3362 0.4012 -0.0525 0.0537 -0.0548 180 GLN C CG 7746 C CD . GLN C 181 ? 0.2780 0.3399 0.4030 -0.0433 0.0465 -0.0526 180 GLN C CD 7747 O OE1 . GLN C 181 ? 0.3246 0.3841 0.4451 -0.0410 0.0479 -0.0502 180 GLN C OE1 7748 N NE2 . GLN C 181 ? 0.2712 0.3404 0.4042 -0.0383 0.0389 -0.0534 180 GLN C NE2 7749 N N . ALA C 182 ? 0.2625 0.2782 0.3435 -0.0570 0.0514 -0.0437 181 ALA C N 7750 C CA . ALA C 182 ? 0.2571 0.2719 0.3397 -0.0589 0.0490 -0.0454 181 ALA C CA 7751 C C . ALA C 182 ? 0.2406 0.2521 0.3183 -0.0512 0.0408 -0.0409 181 ALA C C 7752 O O . ALA C 182 ? 0.2193 0.2369 0.3040 -0.0498 0.0363 -0.0430 181 ALA C O 7753 C CB . ALA C 182 ? 0.2800 0.2798 0.3501 -0.0673 0.0552 -0.0455 181 ALA C CB 7754 N N . TRP C 183 ? 0.2375 0.2400 0.3035 -0.0463 0.0388 -0.0351 182 TRP C N 7755 C CA . TRP C 183 ? 0.2236 0.2238 0.2854 -0.0391 0.0319 -0.0313 182 TRP C CA 7756 C C . TRP C 183 ? 0.2077 0.2226 0.2824 -0.0338 0.0267 -0.0327 182 TRP C C 7757 O O . TRP C 183 ? 0.2010 0.2190 0.2784 -0.0308 0.0217 -0.0331 182 TRP C O 7758 C CB . TRP C 183 ? 0.2299 0.2189 0.2782 -0.0352 0.0312 -0.0257 182 TRP C CB 7759 C CG . TRP C 183 ? 0.2261 0.2126 0.2703 -0.0284 0.0250 -0.0225 182 TRP C CG 7760 C CD1 . TRP C 183 ? 0.2316 0.2070 0.2661 -0.0276 0.0234 -0.0209 182 TRP C CD1 7761 C CD2 . TRP C 183 ? 0.2144 0.2096 0.2642 -0.0221 0.0202 -0.0213 182 TRP C CD2 7762 N NE1 . TRP C 183 ? 0.2248 0.2027 0.2596 -0.0211 0.0182 -0.0191 182 TRP C NE1 7763 C CE2 . TRP C 183 ? 0.2139 0.2037 0.2576 -0.0180 0.0164 -0.0191 182 TRP C CE2 7764 C CE3 . TRP C 183 ? 0.2016 0.2079 0.2603 -0.0196 0.0189 -0.0218 182 TRP C CE3 7765 C CZ2 . TRP C 183 ? 0.2033 0.1988 0.2495 -0.0124 0.0120 -0.0178 182 TRP C CZ2 7766 C CZ3 . TRP C 183 ? 0.1968 0.2074 0.2568 -0.0138 0.0140 -0.0200 182 TRP C CZ3 7767 C CH2 . TRP C 183 ? 0.1959 0.2012 0.2497 -0.0107 0.0110 -0.0181 182 TRP C CH2 7768 N N . LYS C 184 ? 0.2026 0.2255 0.2841 -0.0326 0.0278 -0.0336 183 LYS C N 7769 C CA . LYS C 184 ? 0.1860 0.2207 0.2778 -0.0272 0.0226 -0.0346 183 LYS C CA 7770 C C . LYS C 184 ? 0.1880 0.2332 0.2927 -0.0286 0.0201 -0.0402 183 LYS C C 7771 O O . LYS C 184 ? 0.1771 0.2269 0.2853 -0.0241 0.0138 -0.0402 183 LYS C O 7772 C CB . LYS C 184 ? 0.1789 0.2184 0.2744 -0.0258 0.0246 -0.0347 183 LYS C CB 7773 C CG . LYS C 184 ? 0.1842 0.2145 0.2676 -0.0230 0.0250 -0.0291 183 LYS C CG 7774 C CD . LYS C 184 ? 0.1836 0.2179 0.2698 -0.0216 0.0268 -0.0291 183 LYS C CD 7775 C CE . LYS C 184 ? 0.1894 0.2240 0.2776 -0.0277 0.0341 -0.0325 183 LYS C CE 7776 N NZ . LYS C 184 ? 0.1899 0.2244 0.2762 -0.0262 0.0362 -0.0314 183 LYS C NZ 7777 N N . ASP C 185 ? 0.2026 0.2508 0.3135 -0.0352 0.0252 -0.0450 184 ASP C N 7778 C CA . ASP C 185 ? 0.2177 0.2764 0.3419 -0.0373 0.0230 -0.0511 184 ASP C CA 7779 C C . ASP C 185 ? 0.2203 0.2744 0.3398 -0.0366 0.0184 -0.0503 184 ASP C C 7780 O O . ASP C 185 ? 0.2174 0.2795 0.3455 -0.0346 0.0129 -0.0536 184 ASP C O 7781 C CB . ASP C 185 ? 0.2396 0.3019 0.3709 -0.0459 0.0305 -0.0569 184 ASP C CB 7782 C CG . ASP C 185 ? 0.2635 0.3337 0.4030 -0.0468 0.0350 -0.0598 184 ASP C CG 7783 O OD1 . ASP C 185 ? 0.2697 0.3449 0.4124 -0.0404 0.0313 -0.0583 184 ASP C OD1 7784 O OD2 . ASP C 185 ? 0.2982 0.3692 0.4407 -0.0544 0.0429 -0.0639 184 ASP C OD2 7785 N N . LYS C 186 ? 0.2106 0.2510 0.3160 -0.0380 0.0204 -0.0461 185 LYS C N 7786 C CA . LYS C 186 ? 0.2150 0.2500 0.3150 -0.0372 0.0164 -0.0454 185 LYS C CA 7787 C C . LYS C 186 ? 0.1928 0.2273 0.2885 -0.0295 0.0099 -0.0416 185 LYS C C 7788 O O . LYS C 186 ? 0.1873 0.2249 0.2856 -0.0275 0.0048 -0.0431 185 LYS C O 7789 C CB . LYS C 186 ? 0.2302 0.2499 0.3164 -0.0411 0.0208 -0.0427 185 LYS C CB 7790 C CG . LYS C 186 ? 0.2447 0.2571 0.3239 -0.0399 0.0172 -0.0418 185 LYS C CG 7791 C CD . LYS C 186 ? 0.2660 0.2630 0.3327 -0.0447 0.0217 -0.0405 185 LYS C CD 7792 C CE . LYS C 186 ? 0.2772 0.2663 0.3368 -0.0433 0.0183 -0.0399 185 LYS C CE 7793 N NZ . LYS C 186 ? 0.2958 0.2677 0.3413 -0.0467 0.0220 -0.0380 185 LYS C NZ 7794 N N . TYR C 187 ? 0.1926 0.2227 0.2813 -0.0256 0.0103 -0.0368 186 TYR C N 7795 C CA . TYR C 187 ? 0.1853 0.2121 0.2672 -0.0197 0.0058 -0.0330 186 TYR C CA 7796 C C . TYR C 187 ? 0.1760 0.2106 0.2627 -0.0146 0.0015 -0.0324 186 TYR C C 7797 O O . TYR C 187 ? 0.1844 0.2170 0.2661 -0.0106 -0.0022 -0.0302 186 TYR C O 7798 C CB . TYR C 187 ? 0.1850 0.2013 0.2552 -0.0183 0.0082 -0.0284 186 TYR C CB 7799 C CG . TYR C 187 ? 0.1949 0.2001 0.2568 -0.0214 0.0104 -0.0282 186 TYR C CG 7800 C CD1 . TYR C 187 ? 0.2011 0.2023 0.2591 -0.0202 0.0076 -0.0286 186 TYR C CD1 7801 C CD2 . TYR C 187 ? 0.2068 0.2042 0.2633 -0.0259 0.0156 -0.0278 186 TYR C CD2 7802 C CE1 . TYR C 187 ? 0.2089 0.1991 0.2589 -0.0230 0.0095 -0.0286 186 TYR C CE1 7803 C CE2 . TYR C 187 ? 0.2161 0.2013 0.2633 -0.0290 0.0174 -0.0275 186 TYR C CE2 7804 C CZ . TYR C 187 ? 0.2172 0.1989 0.2614 -0.0273 0.0142 -0.0279 186 TYR C CZ 7805 O OH . TYR C 187 ? 0.2401 0.2081 0.2741 -0.0300 0.0160 -0.0277 186 TYR C OH 7806 N N . ILE C 188 ? 0.1714 0.2136 0.2665 -0.0147 0.0024 -0.0342 187 ILE C N 7807 C CA . ILE C 188 ? 0.1688 0.2163 0.2669 -0.0097 -0.0015 -0.0332 187 ILE C CA 7808 C C . ILE C 188 ? 0.1752 0.2325 0.2848 -0.0090 -0.0057 -0.0381 187 ILE C C 7809 O O . ILE C 188 ? 0.1768 0.2406 0.2963 -0.0123 -0.0032 -0.0425 187 ILE C O 7810 C CB . ILE C 188 ? 0.1675 0.2154 0.2654 -0.0090 0.0019 -0.0313 187 ILE C CB 7811 C CG1 . ILE C 188 ? 0.1732 0.2113 0.2598 -0.0095 0.0054 -0.0269 187 ILE C CG1 7812 C CG2 . ILE C 188 ? 0.1632 0.2151 0.2630 -0.0039 -0.0023 -0.0302 187 ILE C CG2 7813 C CD1 . ILE C 188 ? 0.1760 0.2090 0.2543 -0.0057 0.0022 -0.0233 187 ILE C CD1 7814 N N . ARG C 189 ? 0.1858 0.2434 0.2936 -0.0049 -0.0121 -0.0376 188 ARG C N 7815 C CA . ARG C 189 ? 0.1983 0.2637 0.3154 -0.0029 -0.0179 -0.0420 188 ARG C CA 7816 C C . ARG C 189 ? 0.1806 0.2508 0.3029 0.0008 -0.0194 -0.0422 188 ARG C C 7817 O O . ARG C 189 ? 0.1696 0.2487 0.3042 0.0008 -0.0204 -0.0471 188 ARG C O 7818 C CB . ARG C 189 ? 0.2257 0.2872 0.3364 -0.0001 -0.0244 -0.0413 188 ARG C CB 7819 C CG . ARG C 189 ? 0.2764 0.3448 0.3957 0.0023 -0.0316 -0.0461 188 ARG C CG 7820 C CD . ARG C 189 ? 0.3397 0.4021 0.4500 0.0043 -0.0378 -0.0453 188 ARG C CD 7821 N NE . ARG C 189 ? 0.4493 0.5179 0.5681 0.0057 -0.0450 -0.0507 188 ARG C NE 7822 C CZ . ARG C 189 ? 0.5409 0.6142 0.6672 0.0022 -0.0457 -0.0556 188 ARG C CZ 7823 N NH1 . ARG C 189 ? 0.5896 0.6607 0.7144 -0.0031 -0.0393 -0.0553 188 ARG C NH1 7824 N NH2 . ARG C 189 ? 0.5833 0.6632 0.7184 0.0042 -0.0532 -0.0610 188 ARG C NH2 7825 N N . ALA C 190 ? 0.1655 0.2298 0.2786 0.0038 -0.0195 -0.0373 189 ALA C N 7826 C CA . ALA C 190 ? 0.1659 0.2327 0.2818 0.0075 -0.0212 -0.0370 189 ALA C CA 7827 C C . ALA C 190 ? 0.1573 0.2169 0.2624 0.0087 -0.0188 -0.0313 189 ALA C C 7828 O O . ALA C 190 ? 0.1568 0.2100 0.2526 0.0077 -0.0174 -0.0280 189 ALA C O 7829 C CB . ALA C 190 ? 0.1721 0.2404 0.2897 0.0120 -0.0295 -0.0390 189 ALA C CB 7830 N N . PHE C 191 ? 0.1573 0.2183 0.2643 0.0108 -0.0182 -0.0308 190 PHE C N 7831 C CA . PHE C 191 ? 0.1555 0.2106 0.2535 0.0120 -0.0164 -0.0261 190 PHE C CA 7832 C C . PHE C 191 ? 0.1622 0.2164 0.2592 0.0165 -0.0217 -0.0259 190 PHE C C 7833 O O . PHE C 191 ? 0.1632 0.2228 0.2688 0.0184 -0.0232 -0.0292 190 PHE C O 7834 C CB . PHE C 191 ? 0.1548 0.2113 0.2552 0.0096 -0.0100 -0.0258 190 PHE C CB 7835 C CG . PHE C 191 ? 0.1605 0.2123 0.2538 0.0107 -0.0082 -0.0219 190 PHE C CG 7836 C CD1 . PHE C 191 ? 0.1622 0.2087 0.2468 0.0129 -0.0108 -0.0184 190 PHE C CD1 7837 C CD2 . PHE C 191 ? 0.1602 0.2128 0.2552 0.0091 -0.0033 -0.0220 190 PHE C CD2 7838 C CE1 . PHE C 191 ? 0.1699 0.2131 0.2492 0.0134 -0.0090 -0.0155 190 PHE C CE1 7839 C CE2 . PHE C 191 ? 0.1681 0.2167 0.2569 0.0100 -0.0019 -0.0188 190 PHE C CE2 7840 C CZ . PHE C 191 ? 0.1692 0.2134 0.2506 0.0122 -0.0049 -0.0156 190 PHE C CZ 7841 N N . VAL C 192 ? 0.1644 0.2116 0.2508 0.0181 -0.0247 -0.0227 191 VAL C N 7842 C CA . VAL C 192 ? 0.1726 0.2155 0.2541 0.0218 -0.0297 -0.0217 191 VAL C CA 7843 C C . VAL C 192 ? 0.1708 0.2094 0.2458 0.0214 -0.0259 -0.0179 191 VAL C C 7844 O O . VAL C 192 ? 0.1565 0.1911 0.2238 0.0194 -0.0232 -0.0149 191 VAL C O 7845 C CB . VAL C 192 ? 0.1866 0.2230 0.2588 0.0230 -0.0349 -0.0207 191 VAL C CB 7846 C CG1 . VAL C 192 ? 0.2091 0.2382 0.2734 0.0264 -0.0399 -0.0192 191 VAL C CG1 7847 C CG2 . VAL C 192 ? 0.2026 0.2431 0.2813 0.0235 -0.0393 -0.0248 191 VAL C CG2 7848 N N . SER C 193 ? 0.1729 0.2130 0.2517 0.0234 -0.0261 -0.0187 192 SER C N 7849 C CA . SER C 193 ? 0.1859 0.2232 0.2606 0.0227 -0.0224 -0.0160 192 SER C CA 7850 C C . SER C 193 ? 0.1836 0.2136 0.2502 0.0254 -0.0264 -0.0142 192 SER C C 7851 O O . SER C 193 ? 0.1808 0.2108 0.2508 0.0290 -0.0309 -0.0165 192 SER C O 7852 C CB . SER C 193 ? 0.2118 0.2555 0.2964 0.0226 -0.0191 -0.0186 192 SER C CB 7853 O OG . SER C 193 ? 0.2443 0.2855 0.3251 0.0219 -0.0157 -0.0164 192 SER C OG 7854 N N . LEU C 194 ? 0.1740 0.1975 0.2301 0.0238 -0.0251 -0.0107 193 LEU C N 7855 C CA . LEU C 194 ? 0.1943 0.2089 0.2403 0.0252 -0.0283 -0.0087 193 LEU C CA 7856 C C . LEU C 194 ? 0.1901 0.2023 0.2329 0.0240 -0.0248 -0.0067 193 LEU C C 7857 O O . LEU C 194 ? 0.1679 0.1806 0.2080 0.0209 -0.0204 -0.0048 193 LEU C O 7858 C CB . LEU C 194 ? 0.2110 0.2189 0.2460 0.0233 -0.0292 -0.0067 193 LEU C CB 7859 C CG . LEU C 194 ? 0.2308 0.2398 0.2666 0.0238 -0.0325 -0.0084 193 LEU C CG 7860 C CD1 . LEU C 194 ? 0.2509 0.2529 0.2747 0.0213 -0.0319 -0.0064 193 LEU C CD1 7861 C CD2 . LEU C 194 ? 0.2477 0.2549 0.2852 0.0280 -0.0397 -0.0108 193 LEU C CD2 7862 N N . GLY C 195 ? 0.1993 0.2093 0.2431 0.0267 -0.0269 -0.0075 194 GLY C N 7863 C CA . GLY C 195 ? 0.2004 0.2071 0.2402 0.0256 -0.0242 -0.0058 194 GLY C CA 7864 C C . GLY C 195 ? 0.1897 0.2033 0.2359 0.0234 -0.0186 -0.0059 194 GLY C C 7865 O O . GLY C 195 ? 0.1785 0.1903 0.2202 0.0208 -0.0154 -0.0038 194 GLY C O 7866 N N . ALA C 196 ? 0.1733 0.1943 0.2296 0.0242 -0.0173 -0.0086 195 ALA C N 7867 C CA . ALA C 196 ? 0.1702 0.1959 0.2306 0.0218 -0.0120 -0.0086 195 ALA C CA 7868 C C . ALA C 196 ? 0.1746 0.1988 0.2345 0.0221 -0.0101 -0.0086 195 ALA C C 7869 O O . ALA C 196 ? 0.1740 0.1986 0.2379 0.0249 -0.0117 -0.0110 195 ALA C O 7870 C CB . ALA C 196 ? 0.1693 0.2022 0.2394 0.0217 -0.0106 -0.0117 195 ALA C CB 7871 N N . PRO C 197 ? 0.1734 0.1963 0.2290 0.0196 -0.0069 -0.0065 196 PRO C N 7872 C CA . PRO C 197 ? 0.1827 0.2038 0.2370 0.0195 -0.0048 -0.0066 196 PRO C CA 7873 C C . PRO C 197 ? 0.1838 0.2091 0.2434 0.0185 -0.0009 -0.0085 196 PRO C C 7874 O O . PRO C 197 ? 0.2077 0.2319 0.2640 0.0164 0.0018 -0.0073 196 PRO C O 7875 C CB . PRO C 197 ? 0.1831 0.2010 0.2303 0.0170 -0.0039 -0.0038 196 PRO C CB 7876 C CG . PRO C 197 ? 0.1742 0.1951 0.2222 0.0155 -0.0031 -0.0031 196 PRO C CG 7877 C CD . PRO C 197 ? 0.1781 0.2005 0.2294 0.0171 -0.0056 -0.0043 196 PRO C CD 7878 N N A TRP C 198 ? 0.1905 0.2203 0.2579 0.0198 -0.0008 -0.0117 197 TRP C N 7879 N N B TRP C 198 ? 0.1769 0.2069 0.2444 0.0197 -0.0007 -0.0117 197 TRP C N 7880 C CA A TRP C 198 ? 0.1950 0.2287 0.2673 0.0182 0.0036 -0.0140 197 TRP C CA 7881 C CA B TRP C 198 ? 0.1694 0.2034 0.2418 0.0177 0.0038 -0.0139 197 TRP C CA 7882 C C A TRP C 198 ? 0.2033 0.2339 0.2727 0.0184 0.0056 -0.0144 197 TRP C C 7883 C C B TRP C 198 ? 0.1656 0.1970 0.2341 0.0159 0.0081 -0.0137 197 TRP C C 7884 O O A TRP C 198 ? 0.2376 0.2664 0.3073 0.0212 0.0032 -0.0153 197 TRP C O 7885 O O B TRP C 198 ? 0.1569 0.1874 0.2228 0.0130 0.0115 -0.0130 197 TRP C O 7886 C CB A TRP C 198 ? 0.1933 0.2334 0.2761 0.0196 0.0034 -0.0185 197 TRP C CB 7887 C CB B TRP C 198 ? 0.1700 0.2102 0.2528 0.0195 0.0035 -0.0185 197 TRP C CB 7888 C CG A TRP C 198 ? 0.1854 0.2287 0.2722 0.0204 0.0000 -0.0192 197 TRP C CG 7889 C CG B TRP C 198 ? 0.1681 0.2116 0.2552 0.0203 0.0001 -0.0194 197 TRP C CG 7890 C CD1 A TRP C 198 ? 0.1838 0.2297 0.2764 0.0239 -0.0047 -0.0218 197 TRP C CD1 7891 C CD1 B TRP C 198 ? 0.1691 0.2152 0.2619 0.0239 -0.0047 -0.0219 197 TRP C CD1 7892 C CD2 A TRP C 198 ? 0.1877 0.2317 0.2733 0.0177 0.0008 -0.0179 197 TRP C CD2 7893 C CD2 B TRP C 198 ? 0.1675 0.2114 0.2531 0.0177 0.0008 -0.0179 197 TRP C CD2 7894 N NE1 A TRP C 198 ? 0.1859 0.2339 0.2803 0.0234 -0.0070 -0.0220 197 TRP C NE1 7895 N NE1 B TRP C 198 ? 0.1689 0.2170 0.2634 0.0234 -0.0070 -0.0220 197 TRP C NE1 7896 C CE2 A TRP C 198 ? 0.1820 0.2290 0.2723 0.0196 -0.0033 -0.0196 197 TRP C CE2 7897 C CE2 B TRP C 198 ? 0.1663 0.2133 0.2566 0.0195 -0.0033 -0.0196 197 TRP C CE2 7898 C CE3 A TRP C 198 ? 0.1991 0.2404 0.2791 0.0145 0.0040 -0.0153 197 TRP C CE3 7899 C CE3 B TRP C 198 ? 0.1696 0.2109 0.2496 0.0145 0.0041 -0.0154 197 TRP C CE3 7900 C CZ2 A TRP C 198 ? 0.1921 0.2398 0.2820 0.0177 -0.0038 -0.0190 197 TRP C CZ2 7901 C CZ2 B TRP C 198 ? 0.1677 0.2154 0.2575 0.0177 -0.0038 -0.0189 197 TRP C CZ2 7902 C CZ3 A TRP C 198 ? 0.1918 0.2337 0.2716 0.0131 0.0035 -0.0147 197 TRP C CZ3 7903 C CZ3 B TRP C 198 ? 0.1673 0.2092 0.2471 0.0131 0.0035 -0.0148 197 TRP C CZ3 7904 C CH2 A TRP C 198 ? 0.1818 0.2270 0.2665 0.0145 0.0000 -0.0165 197 TRP C CH2 7905 C CH2 B TRP C 198 ? 0.1647 0.2098 0.2494 0.0145 0.0000 -0.0165 197 TRP C CH2 7906 N N A GLY C 199 ? 0.2087 0.2377 0.2743 0.0157 0.0096 -0.0137 198 GLY C N 7907 N N B GLY C 199 ? 0.1716 0.2006 0.2387 0.0175 0.0077 -0.0143 198 GLY C N 7908 C CA A GLY C 199 ? 0.2012 0.2267 0.2632 0.0156 0.0116 -0.0141 198 GLY C CA 7909 C CA B GLY C 199 ? 0.1804 0.2061 0.2427 0.0159 0.0112 -0.0142 198 GLY C CA 7910 C C A GLY C 199 ? 0.1998 0.2196 0.2537 0.0159 0.0092 -0.0111 198 GLY C C 7911 C C B GLY C 199 ? 0.1882 0.2081 0.2423 0.0160 0.0091 -0.0111 198 GLY C C 7912 O O A GLY C 199 ? 0.1952 0.2118 0.2460 0.0160 0.0103 -0.0116 198 GLY C O 7913 O O B GLY C 199 ? 0.1906 0.2072 0.2414 0.0160 0.0103 -0.0116 198 GLY C O 7914 N N . GLY C 200 ? 0.1944 0.2133 0.2454 0.0156 0.0063 -0.0083 199 GLY C N 7915 C CA . GLY C 200 ? 0.2027 0.2173 0.2468 0.0148 0.0046 -0.0058 199 GLY C CA 7916 C C . GLY C 200 ? 0.2098 0.2211 0.2524 0.0166 0.0017 -0.0058 199 GLY C C 7917 O O . GLY C 200 ? 0.2221 0.2339 0.2687 0.0193 0.0004 -0.0078 199 GLY C O 7918 N N . VAL C 201 ? 0.2051 0.2124 0.2415 0.0152 0.0005 -0.0039 200 VAL C N 7919 C CA . VAL C 201 ? 0.2147 0.2164 0.2471 0.0161 -0.0019 -0.0036 200 VAL C CA 7920 C C . VAL C 201 ? 0.2102 0.2069 0.2367 0.0144 -0.0013 -0.0031 200 VAL C C 7921 O O . VAL C 201 ? 0.1955 0.1936 0.2203 0.0118 0.0000 -0.0024 200 VAL C O 7922 C CB . VAL C 201 ? 0.2409 0.2410 0.2702 0.0151 -0.0041 -0.0019 200 VAL C CB 7923 C CG1 . VAL C 201 ? 0.2491 0.2533 0.2835 0.0169 -0.0052 -0.0025 200 VAL C CG1 7924 C CG2 . VAL C 201 ? 0.2426 0.2442 0.2692 0.0116 -0.0028 -0.0004 200 VAL C CG2 7925 N N . ALA C 202 ? 0.2058 0.1964 0.2292 0.0160 -0.0028 -0.0038 201 ALA C N 7926 C CA . ALA C 202 ? 0.2131 0.1983 0.2309 0.0144 -0.0021 -0.0038 201 ALA C CA 7927 C C . ALA C 202 ? 0.2232 0.2065 0.2356 0.0102 -0.0023 -0.0020 201 ALA C C 7928 O O . ALA C 202 ? 0.2157 0.1983 0.2255 0.0078 -0.0012 -0.0021 201 ALA C O 7929 C CB . ALA C 202 ? 0.2261 0.2038 0.2409 0.0173 -0.0042 -0.0050 201 ALA C CB 7930 N N . LYS C 203 ? 0.2307 0.2131 0.2412 0.0092 -0.0035 -0.0007 202 LYS C N 7931 C CA . LYS C 203 ? 0.2549 0.2356 0.2605 0.0046 -0.0029 0.0002 202 LYS C CA 7932 C C . LYS C 203 ? 0.2371 0.2258 0.2469 0.0021 -0.0012 -0.0001 202 LYS C C 7933 O O . LYS C 203 ? 0.2246 0.2134 0.2322 -0.0016 -0.0005 -0.0004 202 LYS C O 7934 C CB . LYS C 203 ? 0.3114 0.2880 0.3124 0.0033 -0.0039 0.0013 202 LYS C CB 7935 C CG . LYS C 203 ? 0.3643 0.3477 0.3699 0.0034 -0.0036 0.0017 202 LYS C CG 7936 C CD . LYS C 203 ? 0.4550 0.4326 0.4538 0.0016 -0.0043 0.0027 202 LYS C CD 7937 C CE . LYS C 203 ? 0.5090 0.4819 0.5008 -0.0039 -0.0023 0.0029 202 LYS C CE 7938 N NZ . LYS C 203 ? 0.5649 0.5349 0.5511 -0.0071 -0.0013 0.0035 202 LYS C NZ 7939 N N . THR C 204 ? 0.2251 0.2200 0.2406 0.0042 -0.0008 -0.0004 203 THR C N 7940 C CA . THR C 204 ? 0.2279 0.2286 0.2463 0.0030 -0.0001 -0.0008 203 THR C CA 7941 C C . THR C 204 ? 0.2199 0.2187 0.2353 0.0012 -0.0002 -0.0017 203 THR C C 7942 O O . THR C 204 ? 0.2132 0.2157 0.2297 -0.0007 -0.0006 -0.0024 203 THR C O 7943 C CB . THR C 204 ? 0.2455 0.2497 0.2679 0.0057 0.0003 -0.0009 203 THR C CB 7944 O OG1 . THR C 204 ? 0.2831 0.2893 0.3086 0.0073 0.0001 -0.0005 203 THR C OG1 7945 C CG2 . THR C 204 ? 0.2611 0.2695 0.2850 0.0050 0.0000 -0.0011 203 THR C CG2 7946 N N . LEU C 205 ? 0.2087 0.2018 0.2207 0.0022 0.0000 -0.0020 204 LEU C N 7947 C CA . LEU C 205 ? 0.2264 0.2166 0.2346 0.0003 -0.0001 -0.0029 204 LEU C CA 7948 C C . LEU C 205 ? 0.2239 0.2128 0.2296 -0.0036 -0.0005 -0.0033 204 LEU C C 7949 O O . LEU C 205 ? 0.2138 0.2053 0.2198 -0.0060 -0.0011 -0.0045 204 LEU C O 7950 C CB . LEU C 205 ? 0.2464 0.2298 0.2509 0.0020 0.0004 -0.0036 204 LEU C CB 7951 C CG . LEU C 205 ? 0.2795 0.2633 0.2852 0.0048 0.0018 -0.0045 204 LEU C CG 7952 C CD1 . LEU C 205 ? 0.3013 0.2862 0.3050 0.0036 0.0021 -0.0049 204 LEU C CD1 7953 C CD2 . LEU C 205 ? 0.2707 0.2584 0.2818 0.0074 0.0027 -0.0043 204 LEU C CD2 7954 N N . ARG C 206 ? 0.2294 0.2139 0.2323 -0.0047 -0.0003 -0.0025 205 ARG C N 7955 C CA . ARG C 206 ? 0.2521 0.2342 0.2514 -0.0096 0.0001 -0.0030 205 ARG C CA 7956 C C . ARG C 206 ? 0.2351 0.2266 0.2401 -0.0122 0.0008 -0.0040 205 ARG C C 7957 O O . ARG C 206 ? 0.2415 0.2358 0.2473 -0.0162 0.0012 -0.0059 205 ARG C O 7958 C CB . ARG C 206 ? 0.2923 0.2654 0.2848 -0.0103 0.0002 -0.0017 205 ARG C CB 7959 C CG . ARG C 206 ? 0.3478 0.3171 0.3350 -0.0165 0.0017 -0.0023 205 ARG C CG 7960 C CD . ARG C 206 ? 0.4370 0.3949 0.4150 -0.0170 0.0014 -0.0006 205 ARG C CD 7961 N NE . ARG C 206 ? 0.5046 0.4554 0.4745 -0.0237 0.0034 -0.0009 205 ARG C NE 7962 C CZ . ARG C 206 ? 0.5761 0.5300 0.5458 -0.0284 0.0060 -0.0014 205 ARG C CZ 7963 N NH1 . ARG C 206 ? 0.6096 0.5734 0.5868 -0.0268 0.0065 -0.0016 205 ARG C NH1 7964 N NH2 . ARG C 206 ? 0.6071 0.5535 0.5685 -0.0353 0.0086 -0.0021 205 ARG C NH2 7965 N N . VAL C 207 ? 0.2272 0.2237 0.2365 -0.0098 0.0008 -0.0033 206 VAL C N 7966 C CA . VAL C 207 ? 0.2274 0.2329 0.2428 -0.0113 0.0013 -0.0046 206 VAL C CA 7967 C C . VAL C 207 ? 0.2155 0.2272 0.2354 -0.0114 0.0000 -0.0066 206 VAL C C 7968 O O . VAL C 207 ? 0.2182 0.2354 0.2416 -0.0148 0.0002 -0.0091 206 VAL C O 7969 C CB . VAL C 207 ? 0.2259 0.2351 0.2450 -0.0080 0.0012 -0.0035 206 VAL C CB 7970 C CG1 . VAL C 207 ? 0.2285 0.2470 0.2543 -0.0087 0.0014 -0.0053 206 VAL C CG1 7971 C CG2 . VAL C 207 ? 0.2354 0.2386 0.2498 -0.0081 0.0019 -0.0020 206 VAL C CG2 7972 N N . LEU C 208 ? 0.2001 0.2108 0.2198 -0.0079 -0.0016 -0.0059 207 LEU C N 7973 C CA . LEU C 208 ? 0.2013 0.2161 0.2233 -0.0072 -0.0038 -0.0076 207 LEU C CA 7974 C C . LEU C 208 ? 0.2108 0.2237 0.2304 -0.0105 -0.0045 -0.0094 207 LEU C C 7975 O O . LEU C 208 ? 0.1922 0.2108 0.2156 -0.0117 -0.0065 -0.0119 207 LEU C O 7976 C CB . LEU C 208 ? 0.2074 0.2191 0.2272 -0.0032 -0.0047 -0.0062 207 LEU C CB 7977 C CG . LEU C 208 ? 0.2006 0.2150 0.2234 -0.0003 -0.0044 -0.0050 207 LEU C CG 7978 C CD1 . LEU C 208 ? 0.2090 0.2187 0.2283 0.0022 -0.0038 -0.0036 207 LEU C CD1 7979 C CD2 . LEU C 208 ? 0.2036 0.2246 0.2312 0.0004 -0.0066 -0.0064 207 LEU C CD2 7980 N N . ALA C 209 ? 0.2132 0.2179 0.2265 -0.0117 -0.0033 -0.0084 208 ALA C N 7981 C CA . ALA C 209 ? 0.2323 0.2337 0.2420 -0.0150 -0.0039 -0.0101 208 ALA C CA 7982 C C . ALA C 209 ? 0.2435 0.2487 0.2559 -0.0205 -0.0028 -0.0124 208 ALA C C 7983 O O . ALA C 209 ? 0.2365 0.2471 0.2525 -0.0229 -0.0044 -0.0153 208 ALA C O 7984 C CB . ALA C 209 ? 0.2300 0.2208 0.2320 -0.0146 -0.0029 -0.0088 208 ALA C CB 7985 N N . SER C 210 ? 0.2522 0.2545 0.2624 -0.0227 -0.0002 -0.0113 209 SER C N 7986 C CA . SER C 210 ? 0.2731 0.2754 0.2825 -0.0291 0.0020 -0.0133 209 SER C CA 7987 C C . SER C 210 ? 0.2859 0.2930 0.2986 -0.0312 0.0046 -0.0137 209 SER C C 7988 O O . SER C 210 ? 0.3061 0.3130 0.3176 -0.0374 0.0075 -0.0155 209 SER C O 7989 C CB . SER C 210 ? 0.3027 0.2917 0.3015 -0.0317 0.0031 -0.0120 209 SER C CB 7990 O OG . SER C 210 ? 0.3155 0.2959 0.3085 -0.0278 0.0031 -0.0087 209 SER C OG 7991 N N . GLY C 211 ? 0.2743 0.2856 0.2909 -0.0267 0.0040 -0.0122 210 GLY C N 7992 C CA . GLY C 211 ? 0.2808 0.2969 0.3005 -0.0282 0.0064 -0.0128 210 GLY C CA 7993 C C . GLY C 211 ? 0.3240 0.3297 0.3345 -0.0292 0.0083 -0.0100 210 GLY C C 7994 O O . GLY C 211 ? 0.3337 0.3284 0.3354 -0.0301 0.0082 -0.0083 210 GLY C O 7995 N N . ASP C 212 ? 0.3446 0.3531 0.3566 -0.0289 0.0098 -0.0097 211 ASP C N 7996 C CA . ASP C 212 ? 0.3727 0.3710 0.3751 -0.0299 0.0111 -0.0072 211 ASP C CA 7997 C C . ASP C 212 ? 0.3996 0.4018 0.4027 -0.0345 0.0149 -0.0091 211 ASP C C 7998 O O . ASP C 212 ? 0.3905 0.4007 0.4002 -0.0319 0.0149 -0.0098 211 ASP C O 7999 C CB . ASP C 212 ? 0.3912 0.3870 0.3933 -0.0232 0.0083 -0.0044 211 ASP C CB 8000 C CG . ASP C 212 ? 0.4487 0.4332 0.4406 -0.0232 0.0081 -0.0019 211 ASP C CG 8001 O OD1 . ASP C 212 ? 0.4532 0.4296 0.4361 -0.0284 0.0103 -0.0019 211 ASP C OD1 8002 O OD2 . ASP C 212 ? 0.5029 0.4861 0.4953 -0.0180 0.0057 -0.0002 211 ASP C OD2 8003 N N . ASN C 213 ? 0.4234 0.4193 0.4190 -0.0415 0.0184 -0.0102 212 ASN C N 8004 C CA . ASN C 213 ? 0.4858 0.4840 0.4803 -0.0470 0.0231 -0.0123 212 ASN C CA 8005 C C . ASN C 213 ? 0.5878 0.5727 0.5687 -0.0477 0.0239 -0.0092 212 ASN C C 8006 O O . ASN C 213 ? 0.5880 0.5705 0.5634 -0.0537 0.0285 -0.0107 212 ASN C O 8007 C CB . ASN C 213 ? 0.5085 0.5091 0.5035 -0.0555 0.0275 -0.0163 212 ASN C CB 8008 C CG . ASN C 213 ? 0.5449 0.5287 0.5247 -0.0603 0.0285 -0.0142 212 ASN C CG 8009 O OD1 . ASN C 213 ? 0.5524 0.5235 0.5224 -0.0562 0.0251 -0.0100 212 ASN C OD1 8010 N ND2 . ASN C 213 ? 0.5465 0.5301 0.5246 -0.0688 0.0329 -0.0175 212 ASN C ND2 8011 N N . ASN C 214 ? 0.6279 0.6037 0.6029 -0.0418 0.0194 -0.0053 213 ASN C N 8012 C CA . ASN C 214 ? 0.7096 0.6747 0.6740 -0.0402 0.0183 -0.0025 213 ASN C CA 8013 C C . ASN C 214 ? 0.7409 0.6909 0.6888 -0.0471 0.0213 -0.0018 213 ASN C C 8014 O O . ASN C 214 ? 0.7595 0.7018 0.6984 -0.0472 0.0213 -0.0003 213 ASN C O 8015 C CB . ASN C 214 ? 0.7545 0.7297 0.7265 -0.0382 0.0192 -0.0036 213 ASN C CB 8016 C CG . ASN C 214 ? 0.8101 0.7773 0.7748 -0.0340 0.0161 -0.0008 213 ASN C CG 8017 O OD1 . ASN C 214 ? 0.8591 0.8135 0.8139 -0.0317 0.0126 0.0019 213 ASN C OD1 8018 N ND2 . ASN C 214 ? 0.8099 0.7848 0.7802 -0.0325 0.0169 -0.0018 213 ASN C ND2 8019 N N . ARG C 215 ? 0.8028 0.7479 0.7461 -0.0530 0.0238 -0.0029 214 ARG C N 8020 C CA . ARG C 215 ? 0.8950 0.8243 0.8211 -0.0612 0.0277 -0.0026 214 ARG C CA 8021 C C . ARG C 215 ? 0.8830 0.8176 0.8090 -0.0689 0.0347 -0.0058 214 ARG C C 8022 O O . ARG C 215 ? 0.9415 0.8619 0.8512 -0.0752 0.0381 -0.0051 214 ARG C O 8023 C CB . ARG C 215 ? 0.9544 0.8634 0.8629 -0.0579 0.0233 0.0017 214 ARG C CB 8024 C CG . ARG C 215 ? 1.0039 0.9066 0.9116 -0.0524 0.0179 0.0036 214 ARG C CG 8025 C CD . ARG C 215 ? 1.0806 0.9618 0.9704 -0.0493 0.0132 0.0072 214 ARG C CD 8026 N NE . ARG C 215 ? 1.1290 1.0102 1.0242 -0.0403 0.0068 0.0084 214 ARG C NE 8027 C CZ . ARG C 215 ? 1.1666 1.0331 1.0514 -0.0347 0.0009 0.0108 214 ARG C CZ 8028 N NH1 . ARG C 215 ? 1.1887 1.0373 1.0550 -0.0369 0.0000 0.0128 214 ARG C NH1 8029 N NH2 . ARG C 215 ? 1.2110 1.0803 1.1034 -0.0267 -0.0039 0.0109 214 ARG C NH2 8030 N N . ILE C 216 ? 0.8551 0.8096 0.7990 -0.0682 0.0366 -0.0096 215 ILE C N 8031 C CA . ILE C 216 ? 0.7959 0.7606 0.7455 -0.0757 0.0437 -0.0146 215 ILE C CA 8032 C C . ILE C 216 ? 0.8165 0.7882 0.7733 -0.0814 0.0465 -0.0185 215 ILE C C 8033 O O . ILE C 216 ? 0.8596 0.8480 0.8337 -0.0782 0.0447 -0.0215 215 ILE C O 8034 C CB . ILE C 216 ? 0.7746 0.7572 0.7406 -0.0704 0.0431 -0.0169 215 ILE C CB 8035 C CG1 . ILE C 216 ? 0.7433 0.7181 0.7014 -0.0651 0.0402 -0.0132 215 ILE C CG1 8036 C CG2 . ILE C 216 ? 0.7872 0.7822 0.7614 -0.0775 0.0504 -0.0231 215 ILE C CG2 8037 C CD1 . ILE C 216 ? 0.7103 0.6992 0.6833 -0.0572 0.0367 -0.0137 215 ILE C CD1 8038 N N . PRO C 217 ? 0.8526 0.8106 0.7955 -0.0899 0.0503 -0.0185 216 PRO C N 8039 C CA . PRO C 217 ? 0.8518 0.8144 0.8001 -0.0959 0.0525 -0.0221 216 PRO C CA 8040 C C . PRO C 217 ? 0.8321 0.8154 0.7979 -0.1012 0.0578 -0.0295 216 PRO C C 8041 O O . PRO C 217 ? 0.8472 0.8390 0.8226 -0.1038 0.0578 -0.0330 216 PRO C O 8042 C CB . PRO C 217 ? 0.9002 0.8411 0.8266 -0.1049 0.0566 -0.0205 216 PRO C CB 8043 C CG . PRO C 217 ? 0.9008 0.8308 0.8135 -0.1064 0.0591 -0.0183 216 PRO C CG 8044 C CD . PRO C 217 ? 0.8850 0.8207 0.8048 -0.0946 0.0523 -0.0151 216 PRO C CD 8045 N N . VAL C 218 ? 0.7722 0.7636 0.7425 -0.1028 0.0621 -0.0322 217 VAL C N 8046 C CA . VAL C 218 ? 0.7353 0.7481 0.7246 -0.1064 0.0665 -0.0400 217 VAL C CA 8047 C C . VAL C 218 ? 0.6685 0.6996 0.6782 -0.0965 0.0598 -0.0414 217 VAL C C 8048 O O . VAL C 218 ? 0.6102 0.6598 0.6374 -0.0976 0.0614 -0.0480 217 VAL C O 8049 C CB . VAL C 218 ? 0.7617 0.7774 0.7494 -0.1115 0.0739 -0.0432 217 VAL C CB 8050 C CG1 . VAL C 218 ? 0.7621 0.7827 0.7545 -0.1019 0.0699 -0.0409 217 VAL C CG1 8051 C CG2 . VAL C 218 ? 0.7846 0.8194 0.7888 -0.1190 0.0807 -0.0525 217 VAL C CG2 8052 N N . ILE C 219 ? 0.5950 0.6205 0.6020 -0.0868 0.0525 -0.0356 218 ILE C N 8053 C CA . ILE C 219 ? 0.5774 0.6165 0.6002 -0.0780 0.0460 -0.0363 218 ILE C CA 8054 C C . ILE C 219 ? 0.5284 0.5611 0.5480 -0.0761 0.0412 -0.0338 218 ILE C C 8055 O O . ILE C 219 ? 0.5285 0.5459 0.5349 -0.0739 0.0388 -0.0282 218 ILE C O 8056 C CB . ILE C 219 ? 0.5898 0.6283 0.6128 -0.0686 0.0416 -0.0322 218 ILE C CB 8057 C CG1 . ILE C 219 ? 0.5804 0.6214 0.6028 -0.0707 0.0464 -0.0340 218 ILE C CG1 8058 C CG2 . ILE C 219 ? 0.6021 0.6542 0.6406 -0.0605 0.0358 -0.0336 218 ILE C CG2 8059 C CD1 . ILE C 219 ? 0.5890 0.6273 0.6095 -0.0626 0.0425 -0.0299 218 ILE C CD1 8060 N N . GLY C 220 ? 0.4895 0.5336 0.5210 -0.0771 0.0398 -0.0382 219 GLY C N 8061 C CA . GLY C 220 ? 0.4902 0.5289 0.5191 -0.0751 0.0351 -0.0361 219 GLY C CA 8062 C C . GLY C 220 ? 0.4645 0.5008 0.4933 -0.0645 0.0285 -0.0312 219 GLY C C 8063 O O . GLY C 220 ? 0.4175 0.4636 0.4556 -0.0587 0.0262 -0.0318 219 GLY C O 8064 N N . PRO C 221 ? 0.4558 0.4784 0.4736 -0.0623 0.0256 -0.0265 220 PRO C N 8065 C CA . PRO C 221 ? 0.4152 0.4365 0.4337 -0.0530 0.0202 -0.0226 220 PRO C CA 8066 C C . PRO C 221 ? 0.3783 0.4122 0.4094 -0.0487 0.0159 -0.0253 220 PRO C C 8067 O O . PRO C 221 ? 0.3490 0.3867 0.3845 -0.0418 0.0127 -0.0238 220 PRO C O 8068 C CB . PRO C 221 ? 0.4389 0.4441 0.4443 -0.0526 0.0187 -0.0186 220 PRO C CB 8069 C CG . PRO C 221 ? 0.4598 0.4608 0.4608 -0.0610 0.0218 -0.0213 220 PRO C CG 8070 C CD . PRO C 221 ? 0.4744 0.4823 0.4790 -0.0678 0.0273 -0.0250 220 PRO C CD 8071 N N . LEU C 222 ? 0.3951 0.4343 0.4311 -0.0528 0.0157 -0.0294 221 LEU C N 8072 C CA . LEU C 222 ? 0.3991 0.4486 0.4454 -0.0485 0.0107 -0.0321 221 LEU C CA 8073 C C . LEU C 222 ? 0.3908 0.4554 0.4506 -0.0459 0.0100 -0.0360 221 LEU C C 8074 O O . LEU C 222 ? 0.3591 0.4297 0.4253 -0.0398 0.0048 -0.0366 221 LEU C O 8075 C CB . LEU C 222 ? 0.4122 0.4635 0.4603 -0.0537 0.0101 -0.0358 221 LEU C CB 8076 C CG . LEU C 222 ? 0.4441 0.4804 0.4792 -0.0557 0.0100 -0.0326 221 LEU C CG 8077 C CD1 . LEU C 222 ? 0.4546 0.4946 0.4932 -0.0603 0.0086 -0.0370 221 LEU C CD1 8078 C CD2 . LEU C 222 ? 0.4406 0.4685 0.4692 -0.0480 0.0061 -0.0275 221 LEU C CD2 8079 N N . LYS C 223 ? 0.3910 0.4605 0.4540 -0.0505 0.0151 -0.0386 222 LYS C N 8080 C CA . LYS C 223 ? 0.3915 0.4749 0.4672 -0.0481 0.0151 -0.0427 222 LYS C CA 8081 C C . LYS C 223 ? 0.3614 0.4416 0.4346 -0.0407 0.0132 -0.0383 222 LYS C C 8082 O O . LYS C 223 ? 0.3461 0.4331 0.4268 -0.0343 0.0086 -0.0393 222 LYS C O 8083 C CB . LYS C 223 ? 0.4245 0.5130 0.5030 -0.0564 0.0225 -0.0472 222 LYS C CB 8084 C CG . LYS C 223 ? 0.4288 0.5323 0.5209 -0.0554 0.0242 -0.0527 222 LYS C CG 8085 C CD . LYS C 223 ? 0.4264 0.5450 0.5346 -0.0505 0.0183 -0.0582 222 LYS C CD 8086 C CE . LYS C 223 ? 0.4446 0.5696 0.5592 -0.0553 0.0173 -0.0632 222 LYS C CE 8087 N NZ . LYS C 223 ? 0.4279 0.5661 0.5539 -0.0633 0.0231 -0.0715 222 LYS C NZ 8088 N N . ILE C 224 ? 0.3384 0.4071 0.4003 -0.0416 0.0160 -0.0336 223 ILE C N 8089 C CA . ILE C 224 ? 0.3340 0.3994 0.3934 -0.0353 0.0144 -0.0296 223 ILE C CA 8090 C C . ILE C 224 ? 0.3074 0.3683 0.3646 -0.0284 0.0088 -0.0259 223 ILE C C 8091 O O . ILE C 224 ? 0.3025 0.3646 0.3616 -0.0226 0.0065 -0.0243 223 ILE C O 8092 C CB . ILE C 224 ? 0.3641 0.4181 0.4116 -0.0380 0.0182 -0.0259 223 ILE C CB 8093 C CG1 . ILE C 224 ? 0.3989 0.4527 0.4464 -0.0326 0.0173 -0.0235 223 ILE C CG1 8094 C CG2 . ILE C 224 ? 0.3715 0.4115 0.4069 -0.0384 0.0171 -0.0214 223 ILE C CG2 8095 C CD1 . ILE C 224 ? 0.4202 0.4862 0.4782 -0.0323 0.0190 -0.0280 223 ILE C CD1 8096 N N . ARG C 225 ? 0.2696 0.3253 0.3225 -0.0293 0.0069 -0.0250 224 ARG C N 8097 C CA . ARG C 225 ? 0.2610 0.3124 0.3114 -0.0236 0.0023 -0.0221 224 ARG C CA 8098 C C . ARG C 225 ? 0.2499 0.3099 0.3087 -0.0184 -0.0018 -0.0242 224 ARG C C 8099 O O . ARG C 225 ? 0.2390 0.2954 0.2953 -0.0131 -0.0046 -0.0215 224 ARG C O 8100 C CB . ARG C 225 ? 0.2602 0.3065 0.3060 -0.0262 0.0012 -0.0223 224 ARG C CB 8101 C CG . ARG C 225 ? 0.2587 0.2985 0.2995 -0.0212 -0.0023 -0.0193 224 ARG C CG 8102 C CD . ARG C 225 ? 0.2587 0.2933 0.2948 -0.0241 -0.0032 -0.0200 224 ARG C CD 8103 N NE . ARG C 225 ? 0.2546 0.2979 0.2979 -0.0264 -0.0053 -0.0248 224 ARG C NE 8104 C CZ . ARG C 225 ? 0.2752 0.3160 0.3160 -0.0296 -0.0064 -0.0265 224 ARG C CZ 8105 N NH1 . ARG C 225 ? 0.2608 0.2900 0.2915 -0.0307 -0.0054 -0.0237 224 ARG C NH1 8106 N NH2 . ARG C 225 ? 0.2907 0.3409 0.3396 -0.0318 -0.0087 -0.0315 224 ARG C NH2 8107 N N . GLU C 226 ? 0.2555 0.3269 0.3245 -0.0200 -0.0023 -0.0295 225 GLU C N 8108 C CA . GLU C 226 ? 0.2753 0.3547 0.3526 -0.0145 -0.0072 -0.0322 225 GLU C CA 8109 C C . GLU C 226 ? 0.2535 0.3317 0.3305 -0.0096 -0.0074 -0.0298 225 GLU C C 8110 O O . GLU C 226 ? 0.2711 0.3467 0.3466 -0.0039 -0.0118 -0.0283 225 GLU C O 8111 C CB . GLU C 226 ? 0.2954 0.3887 0.3855 -0.0171 -0.0071 -0.0393 225 GLU C CB 8112 C CG . GLU C 226 ? 0.3460 0.4424 0.4384 -0.0226 -0.0071 -0.0429 225 GLU C CG 8113 C CD . GLU C 226 ? 0.4058 0.5171 0.5120 -0.0267 -0.0050 -0.0506 225 GLU C CD 8114 O OE1 . GLU C 226 ? 0.4363 0.5508 0.5449 -0.0336 -0.0025 -0.0541 225 GLU C OE1 8115 O OE2 . GLU C 226 ? 0.4254 0.5456 0.5407 -0.0230 -0.0060 -0.0536 225 GLU C OE2 8116 N N . GLN C 227 ? 0.2468 0.3258 0.3239 -0.0119 -0.0027 -0.0296 226 GLN C N 8117 C CA . GLN C 227 ? 0.2337 0.3113 0.3102 -0.0076 -0.0027 -0.0275 226 GLN C CA 8118 C C . GLN C 227 ? 0.2222 0.2885 0.2888 -0.0052 -0.0033 -0.0217 226 GLN C C 8119 O O . GLN C 227 ? 0.2050 0.2691 0.2708 -0.0004 -0.0058 -0.0199 226 GLN C O 8120 C CB . GLN C 227 ? 0.2499 0.3305 0.3279 -0.0111 0.0025 -0.0288 226 GLN C CB 8121 C CG . GLN C 227 ? 0.2487 0.3281 0.3264 -0.0069 0.0024 -0.0271 226 GLN C CG 8122 C CD . GLN C 227 ? 0.2703 0.3388 0.3380 -0.0058 0.0030 -0.0215 226 GLN C CD 8123 O OE1 . GLN C 227 ? 0.2898 0.3557 0.3565 -0.0013 0.0009 -0.0194 226 GLN C OE1 8124 N NE2 . GLN C 227 ? 0.2614 0.3233 0.3219 -0.0099 0.0056 -0.0193 226 GLN C NE2 8125 N N . GLN C 228 ? 0.2065 0.2656 0.2658 -0.0086 -0.0011 -0.0191 227 GLN C N 8126 C CA . GLN C 228 ? 0.2153 0.2647 0.2666 -0.0064 -0.0012 -0.0145 227 GLN C CA 8127 C C . GLN C 228 ? 0.1976 0.2440 0.2471 -0.0024 -0.0050 -0.0132 227 GLN C C 8128 O O . GLN C 228 ? 0.1885 0.2307 0.2352 0.0008 -0.0057 -0.0107 227 GLN C O 8129 C CB . GLN C 228 ? 0.2348 0.2768 0.2789 -0.0104 0.0012 -0.0127 227 GLN C CB 8130 C CG . GLN C 228 ? 0.2569 0.2985 0.2994 -0.0142 0.0050 -0.0131 227 GLN C CG 8131 C CD . GLN C 228 ? 0.2914 0.3249 0.3258 -0.0190 0.0073 -0.0121 227 GLN C CD 8132 O OE1 . GLN C 228 ? 0.2856 0.3172 0.3184 -0.0214 0.0070 -0.0129 227 GLN C OE1 8133 N NE2 . GLN C 228 ? 0.3176 0.3454 0.3460 -0.0207 0.0096 -0.0105 227 GLN C NE2 8134 N N . ARG C 229 ? 0.1826 0.2308 0.2333 -0.0029 -0.0074 -0.0152 228 ARG C N 8135 C CA . ARG C 229 ? 0.1888 0.2331 0.2361 0.0005 -0.0112 -0.0143 228 ARG C CA 8136 C C . ARG C 229 ? 0.1958 0.2423 0.2458 0.0051 -0.0143 -0.0148 228 ARG C C 8137 O O . ARG C 229 ? 0.1978 0.2377 0.2420 0.0081 -0.0160 -0.0125 228 ARG C O 8138 C CB . ARG C 229 ? 0.1919 0.2380 0.2399 -0.0011 -0.0139 -0.0169 228 ARG C CB 8139 C CG . ARG C 229 ? 0.1891 0.2293 0.2314 -0.0049 -0.0117 -0.0158 228 ARG C CG 8140 C CD . ARG C 229 ? 0.1960 0.2388 0.2398 -0.0070 -0.0144 -0.0190 228 ARG C CD 8141 N NE . ARG C 229 ? 0.1976 0.2333 0.2346 -0.0103 -0.0126 -0.0179 228 ARG C NE 8142 C CZ . ARG C 229 ? 0.2071 0.2423 0.2430 -0.0126 -0.0145 -0.0200 228 ARG C CZ 8143 N NH1 . ARG C 229 ? 0.2014 0.2440 0.2433 -0.0120 -0.0187 -0.0238 228 ARG C NH1 8144 N NH2 . ARG C 229 ? 0.2149 0.2423 0.2438 -0.0153 -0.0126 -0.0188 228 ARG C NH2 8145 N N . SER C 230 ? 0.1925 0.2478 0.2509 0.0056 -0.0150 -0.0181 229 SER C N 8146 C CA . SER C 230 ? 0.1964 0.2537 0.2578 0.0105 -0.0188 -0.0193 229 SER C CA 8147 C C . SER C 230 ? 0.2002 0.2525 0.2580 0.0127 -0.0171 -0.0163 229 SER C C 8148 O O . SER C 230 ? 0.2216 0.2704 0.2772 0.0169 -0.0203 -0.0157 229 SER C O 8149 C CB . SER C 230 ? 0.1971 0.2662 0.2698 0.0107 -0.0197 -0.0246 229 SER C CB 8150 O OG . SER C 230 ? 0.1940 0.2669 0.2702 0.0087 -0.0150 -0.0250 229 SER C OG 8151 N N . ALA C 231 ? 0.1957 0.2465 0.2519 0.0099 -0.0125 -0.0142 230 ALA C N 8152 C CA . ALA C 231 ? 0.1941 0.2406 0.2473 0.0114 -0.0109 -0.0115 230 ALA C CA 8153 C C . ALA C 231 ? 0.2010 0.2383 0.2462 0.0123 -0.0109 -0.0081 230 ALA C C 8154 O O . ALA C 231 ? 0.2013 0.2352 0.2430 0.0101 -0.0091 -0.0067 230 ALA C O 8155 C CB . ALA C 231 ? 0.2003 0.2484 0.2546 0.0083 -0.0067 -0.0111 230 ALA C CB 8156 N N . VAL C 232 ? 0.2057 0.2386 0.2478 0.0153 -0.0128 -0.0072 231 VAL C N 8157 C CA . VAL C 232 ? 0.2056 0.2298 0.2399 0.0156 -0.0121 -0.0046 231 VAL C CA 8158 C C . VAL C 232 ? 0.2050 0.2279 0.2390 0.0135 -0.0080 -0.0028 231 VAL C C 8159 O O . VAL C 232 ? 0.2066 0.2249 0.2363 0.0125 -0.0063 -0.0016 231 VAL C O 8160 C CB . VAL C 232 ? 0.2251 0.2438 0.2554 0.0185 -0.0140 -0.0039 231 VAL C CB 8161 C CG1 . VAL C 232 ? 0.2237 0.2328 0.2450 0.0177 -0.0124 -0.0016 231 VAL C CG1 8162 C CG2 . VAL C 232 ? 0.2373 0.2567 0.2681 0.0216 -0.0193 -0.0060 231 VAL C CG2 8163 N N . SER C 233 ? 0.1936 0.2207 0.2321 0.0130 -0.0064 -0.0031 232 SER C N 8164 C CA . SER C 233 ? 0.1955 0.2214 0.2339 0.0117 -0.0036 -0.0018 232 SER C CA 8165 C C . SER C 233 ? 0.1915 0.2164 0.2285 0.0098 -0.0025 -0.0015 232 SER C C 8166 O O . SER C 233 ? 0.1908 0.2130 0.2267 0.0096 -0.0010 -0.0006 232 SER C O 8167 C CB . SER C 233 ? 0.1965 0.2263 0.2387 0.0115 -0.0029 -0.0024 232 SER C CB 8168 O OG . SER C 233 ? 0.2069 0.2417 0.2520 0.0103 -0.0030 -0.0041 232 SER C OG 8169 N N . THR C 234 ? 0.1926 0.2195 0.2300 0.0085 -0.0034 -0.0026 233 THR C N 8170 C CA . THR C 234 ? 0.2035 0.2278 0.2383 0.0066 -0.0025 -0.0022 233 THR C CA 8171 C C . THR C 234 ? 0.2024 0.2214 0.2329 0.0073 -0.0023 -0.0015 233 THR C C 8172 O O . THR C 234 ? 0.2122 0.2280 0.2413 0.0072 -0.0007 -0.0009 233 THR C O 8173 C CB . THR C 234 ? 0.2135 0.2406 0.2493 0.0043 -0.0033 -0.0039 233 THR C CB 8174 O OG1 . THR C 234 ? 0.2072 0.2397 0.2472 0.0032 -0.0026 -0.0052 233 THR C OG1 8175 C CG2 . THR C 234 ? 0.2260 0.2491 0.2582 0.0021 -0.0021 -0.0035 233 THR C CG2 8176 N N . SER C 235 ? 0.1960 0.2134 0.2241 0.0082 -0.0039 -0.0018 234 SER C N 8177 C CA . SER C 235 ? 0.2015 0.2129 0.2240 0.0084 -0.0031 -0.0012 234 SER C CA 8178 C C . SER C 235 ? 0.1937 0.2026 0.2155 0.0091 -0.0005 -0.0004 234 SER C C 8179 O O . SER C 235 ? 0.1931 0.1984 0.2122 0.0086 0.0017 -0.0006 234 SER C O 8180 C CB . SER C 235 ? 0.2136 0.2225 0.2318 0.0093 -0.0060 -0.0017 234 SER C CB 8181 O OG . SER C 235 ? 0.2270 0.2388 0.2466 0.0083 -0.0083 -0.0031 234 SER C OG 8182 N N . TRP C 236 ? 0.1879 0.1989 0.2125 0.0099 -0.0005 -0.0001 235 TRP C N 8183 C CA . TRP C 236 ? 0.1900 0.1996 0.2151 0.0099 0.0020 0.0001 235 TRP C CA 8184 C C . TRP C 236 ? 0.1885 0.2000 0.2175 0.0096 0.0040 -0.0004 235 TRP C C 8185 O O . TRP C 236 ? 0.1999 0.2103 0.2296 0.0094 0.0065 -0.0011 235 TRP C O 8186 C CB . TRP C 236 ? 0.1896 0.2017 0.2177 0.0108 0.0011 0.0003 235 TRP C CB 8187 C CG . TRP C 236 ? 0.1802 0.1913 0.2094 0.0104 0.0035 0.0002 235 TRP C CG 8188 C CD1 . TRP C 236 ? 0.1918 0.1985 0.2176 0.0092 0.0063 0.0000 235 TRP C CD1 8189 C CD2 . TRP C 236 ? 0.1803 0.1949 0.2143 0.0107 0.0035 0.0000 235 TRP C CD2 8190 N NE1 . TRP C 236 ? 0.1991 0.2072 0.2283 0.0085 0.0081 -0.0005 235 TRP C NE1 8191 C CE2 . TRP C 236 ? 0.1932 0.2060 0.2274 0.0097 0.0061 -0.0004 235 TRP C CE2 8192 C CE3 . TRP C 236 ? 0.1769 0.1959 0.2147 0.0114 0.0019 0.0000 235 TRP C CE3 8193 C CZ2 . TRP C 236 ? 0.1947 0.2102 0.2331 0.0095 0.0065 -0.0010 235 TRP C CZ2 8194 C CZ3 . TRP C 236 ? 0.1852 0.2059 0.2261 0.0115 0.0023 -0.0004 235 TRP C CZ3 8195 C CH2 . TRP C 236 ? 0.1847 0.2038 0.2261 0.0107 0.0043 -0.0009 235 TRP C CH2 8196 N N . LEU C 237 ? 0.1887 0.2026 0.2200 0.0096 0.0027 -0.0004 236 LEU C N 8197 C CA . LEU C 237 ? 0.2002 0.2144 0.2339 0.0101 0.0033 -0.0009 236 LEU C CA 8198 C C . LEU C 237 ? 0.1918 0.2027 0.2231 0.0100 0.0037 -0.0015 236 LEU C C 8199 O O . LEU C 237 ? 0.1893 0.1994 0.2218 0.0109 0.0032 -0.0020 236 LEU C O 8200 C CB . LEU C 237 ? 0.2279 0.2444 0.2636 0.0101 0.0017 -0.0005 236 LEU C CB 8201 C CG . LEU C 237 ? 0.2710 0.2905 0.3097 0.0106 0.0016 -0.0004 236 LEU C CG 8202 C CD1 . LEU C 237 ? 0.3005 0.3211 0.3397 0.0103 0.0003 -0.0001 236 LEU C CD1 8203 C CD2 . LEU C 237 ? 0.2963 0.3162 0.3381 0.0114 0.0030 -0.0013 236 LEU C CD2 8204 N N . LEU C 238 ? 0.1806 0.1888 0.2077 0.0092 0.0042 -0.0016 237 LEU C N 8205 C CA . LEU C 238 ? 0.1825 0.1869 0.2069 0.0092 0.0051 -0.0026 237 LEU C CA 8206 C C . LEU C 238 ? 0.1757 0.1805 0.2035 0.0105 0.0077 -0.0042 237 LEU C C 8207 O O . LEU C 238 ? 0.1718 0.1785 0.2018 0.0103 0.0095 -0.0046 237 LEU C O 8208 C CB . LEU C 238 ? 0.1911 0.1919 0.2095 0.0080 0.0053 -0.0026 237 LEU C CB 8209 C CG . LEU C 238 ? 0.1966 0.1977 0.2128 0.0068 0.0025 -0.0021 237 LEU C CG 8210 C CD1 . LEU C 238 ? 0.2148 0.2125 0.2252 0.0063 0.0017 -0.0022 237 LEU C CD1 8211 C CD2 . LEU C 238 ? 0.2084 0.2073 0.2234 0.0059 0.0020 -0.0026 237 LEU C CD2 8212 N N . PRO C 239 ? 0.1725 0.1753 0.2008 0.0117 0.0078 -0.0056 238 PRO C N 8213 C CA . PRO C 239 ? 0.1772 0.1814 0.2101 0.0132 0.0102 -0.0083 238 PRO C CA 8214 C C . PRO C 239 ? 0.1851 0.1896 0.2175 0.0117 0.0145 -0.0097 238 PRO C C 8215 O O . PRO C 239 ? 0.1920 0.1923 0.2174 0.0099 0.0157 -0.0090 238 PRO C O 8216 C CB . PRO C 239 ? 0.1824 0.1824 0.2133 0.0146 0.0096 -0.0096 238 PRO C CB 8217 C CG . PRO C 239 ? 0.1780 0.1753 0.2052 0.0141 0.0061 -0.0073 238 PRO C CG 8218 C CD . PRO C 239 ? 0.1753 0.1742 0.2000 0.0116 0.0058 -0.0052 238 PRO C CD 8219 N N . TYR C 240 ? 0.1885 0.1975 0.2277 0.0121 0.0166 -0.0119 239 TYR C N 8220 C CA . TYR C 240 ? 0.1997 0.2089 0.2387 0.0098 0.0217 -0.0138 239 TYR C CA 8221 C C . TYR C 240 ? 0.2039 0.2154 0.2483 0.0107 0.0253 -0.0183 239 TYR C C 8222 O O . TYR C 240 ? 0.2000 0.2150 0.2516 0.0139 0.0231 -0.0203 239 TYR C O 8223 C CB . TYR C 240 ? 0.1978 0.2112 0.2415 0.0088 0.0223 -0.0138 239 TYR C CB 8224 C CG . TYR C 240 ? 0.2046 0.2153 0.2426 0.0077 0.0201 -0.0102 239 TYR C CG 8225 C CD1 . TYR C 240 ? 0.2046 0.2169 0.2437 0.0093 0.0155 -0.0080 239 TYR C CD1 8226 C CD2 . TYR C 240 ? 0.2143 0.2203 0.2454 0.0049 0.0227 -0.0093 239 TYR C CD2 8227 C CE1 . TYR C 240 ? 0.2076 0.2183 0.2426 0.0086 0.0136 -0.0054 239 TYR C CE1 8228 C CE2 . TYR C 240 ? 0.2251 0.2284 0.2513 0.0047 0.0200 -0.0065 239 TYR C CE2 8229 C CZ . TYR C 240 ? 0.2208 0.2272 0.2499 0.0067 0.0155 -0.0048 239 TYR C CZ 8230 O OH . TYR C 240 ? 0.2323 0.2369 0.2577 0.0069 0.0130 -0.0027 239 TYR C OH 8231 N N . ASN C 241 ? 0.2272 0.2360 0.2675 0.0078 0.0307 -0.0201 240 ASN C N 8232 C CA . ASN C 241 ? 0.2518 0.2632 0.2974 0.0081 0.0353 -0.0252 240 ASN C CA 8233 C C . ASN C 241 ? 0.2681 0.2885 0.3264 0.0084 0.0377 -0.0295 240 ASN C C 8234 O O . ASN C 241 ? 0.2741 0.2987 0.3395 0.0093 0.0412 -0.0347 240 ASN C O 8235 C CB . ASN C 241 ? 0.2913 0.2965 0.3276 0.0045 0.0411 -0.0263 240 ASN C CB 8236 C CG . ASN C 241 ? 0.3144 0.3157 0.3436 0.0000 0.0444 -0.0247 240 ASN C CG 8237 O OD1 . ASN C 241 ? 0.3087 0.3140 0.3429 -0.0007 0.0440 -0.0242 240 ASN C OD1 8238 N ND2 . ASN C 241 ? 0.3655 0.3577 0.3818 -0.0029 0.0472 -0.0237 240 ASN C ND2 8239 N N . TYR C 242 ? 0.2532 0.2773 0.3154 0.0078 0.0360 -0.0281 241 TYR C N 8240 C CA . TYR C 242 ? 0.2815 0.3151 0.3572 0.0084 0.0373 -0.0328 241 TYR C CA 8241 C C . TYR C 242 ? 0.2840 0.3227 0.3689 0.0141 0.0310 -0.0341 241 TYR C C 8242 O O . TYR C 242 ? 0.2748 0.3219 0.3721 0.0158 0.0309 -0.0387 241 TYR C O 8243 C CB . TYR C 242 ? 0.2877 0.3228 0.3637 0.0049 0.0388 -0.0317 241 TYR C CB 8244 C CG . TYR C 242 ? 0.2922 0.3237 0.3625 0.0056 0.0335 -0.0262 241 TYR C CG 8245 C CD1 . TYR C 242 ? 0.2959 0.3319 0.3727 0.0091 0.0276 -0.0255 241 TYR C CD1 8246 C CD2 . TYR C 242 ? 0.3019 0.3254 0.3602 0.0028 0.0342 -0.0220 241 TYR C CD2 8247 C CE1 . TYR C 242 ? 0.3086 0.3416 0.3802 0.0094 0.0234 -0.0210 241 TYR C CE1 8248 C CE2 . TYR C 242 ? 0.3216 0.3431 0.3762 0.0037 0.0294 -0.0178 241 TYR C CE2 8249 C CZ . TYR C 242 ? 0.3090 0.3356 0.3704 0.0068 0.0245 -0.0174 241 TYR C CZ 8250 O OH . TYR C 242 ? 0.3560 0.3808 0.4139 0.0074 0.0206 -0.0139 241 TYR C OH 8251 N N . THR C 243 ? 0.2601 0.2932 0.3386 0.0169 0.0256 -0.0302 242 THR C N 8252 C CA . THR C 243 ? 0.2653 0.2995 0.3484 0.0220 0.0194 -0.0306 242 THR C CA 8253 C C . THR C 243 ? 0.2725 0.3019 0.3525 0.0248 0.0185 -0.0317 242 THR C C 8254 O O . THR C 243 ? 0.2729 0.3045 0.3598 0.0293 0.0157 -0.0352 242 THR C O 8255 C CB . THR C 243 ? 0.2719 0.3022 0.3487 0.0222 0.0141 -0.0253 242 THR C CB 8256 O OG1 . THR C 243 ? 0.2798 0.3151 0.3611 0.0206 0.0141 -0.0251 242 THR C OG1 8257 C CG2 . THR C 243 ? 0.2878 0.3155 0.3648 0.0268 0.0078 -0.0248 242 THR C CG2 8258 N N A TRP C 244 ? 0.2532 0.2755 0.3226 0.0224 0.0203 -0.0288 243 TRP C N 8259 N N B TRP C 244 ? 0.2721 0.2944 0.3415 0.0224 0.0203 -0.0288 243 TRP C N 8260 C CA A TRP C 244 ? 0.2428 0.2590 0.3071 0.0245 0.0190 -0.0290 243 TRP C CA 8261 C CA B TRP C 244 ? 0.2723 0.2887 0.3373 0.0247 0.0191 -0.0294 243 TRP C CA 8262 C C A TRP C 244 ? 0.2539 0.2691 0.3168 0.0227 0.0252 -0.0324 243 TRP C C 8263 C C B TRP C 244 ? 0.2707 0.2861 0.3338 0.0227 0.0253 -0.0325 243 TRP C C 8264 O O A TRP C 244 ? 0.2474 0.2628 0.3070 0.0184 0.0302 -0.0322 243 TRP C O 8265 O O B TRP C 244 ? 0.2618 0.2772 0.3213 0.0184 0.0302 -0.0321 243 TRP C O 8266 C CB A TRP C 244 ? 0.2304 0.2390 0.2832 0.0226 0.0161 -0.0234 243 TRP C CB 8267 C CB B TRP C 244 ? 0.2825 0.2908 0.3361 0.0237 0.0157 -0.0242 243 TRP C CB 8268 C CG A TRP C 244 ? 0.2047 0.2133 0.2569 0.0233 0.0109 -0.0198 243 TRP C CG 8269 C CG B TRP C 244 ? 0.2814 0.2871 0.3348 0.0268 0.0096 -0.0225 243 TRP C CG 8270 C CD1 A TRP C 244 ? 0.1934 0.2052 0.2461 0.0211 0.0107 -0.0174 243 TRP C CD1 8271 C CD1 B TRP C 244 ? 0.2824 0.2838 0.3359 0.0309 0.0060 -0.0241 243 TRP C CD1 8272 C CD2 A TRP C 244 ? 0.2004 0.2042 0.2498 0.0260 0.0056 -0.0183 243 TRP C CD2 8273 C CD2 B TRP C 244 ? 0.2672 0.2729 0.3186 0.0258 0.0063 -0.0188 243 TRP C CD2 8274 N NE1 A TRP C 244 ? 0.1858 0.1959 0.2368 0.0222 0.0060 -0.0149 243 TRP C NE1 8275 N NE1 B TRP C 244 ? 0.2786 0.2763 0.3289 0.0323 0.0006 -0.0213 243 TRP C NE1 8276 C CE2 A TRP C 244 ? 0.1941 0.1988 0.2424 0.0249 0.0029 -0.0152 243 TRP C CE2 8277 C CE2 B TRP C 244 ? 0.2759 0.2768 0.3252 0.0290 0.0010 -0.0181 243 TRP C CE2 8278 C CE3 A TRP C 244 ? 0.2084 0.2060 0.2550 0.0290 0.0030 -0.0194 243 TRP C CE3 8279 C CE3 B TRP C 244 ? 0.2679 0.2766 0.3183 0.0227 0.0073 -0.0162 243 TRP C CE3 8280 C CZ2 A TRP C 244 ? 0.1953 0.1949 0.2393 0.0263 -0.0017 -0.0132 243 TRP C CZ2 8281 C CZ2 B TRP C 244 ? 0.2727 0.2717 0.3187 0.0284 -0.0024 -0.0150 243 TRP C CZ2 8282 C CZ3 A TRP C 244 ? 0.2107 0.2023 0.2526 0.0305 -0.0020 -0.0171 243 TRP C CZ3 8283 C CZ3 B TRP C 244 ? 0.2541 0.2620 0.3026 0.0226 0.0037 -0.0134 243 TRP C CZ3 8284 C CH2 A TRP C 244 ? 0.2072 0.1997 0.2474 0.0289 -0.0041 -0.0140 243 TRP C CH2 8285 C CH2 B TRP C 244 ? 0.2603 0.2636 0.3065 0.0252 -0.0008 -0.0128 243 TRP C CH2 8286 N N . SER C 245 ? 0.2703 0.2831 0.3342 0.0260 0.0248 -0.0355 244 SER C N 8287 C CA . SER C 245 ? 0.2868 0.2974 0.3477 0.0245 0.0304 -0.0387 244 SER C CA 8288 C C . SER C 245 ? 0.3083 0.3102 0.3548 0.0203 0.0315 -0.0342 244 SER C C 8289 O O . SER C 245 ? 0.2658 0.2623 0.3055 0.0205 0.0267 -0.0299 244 SER C O 8290 C CB . SER C 245 ? 0.3072 0.3152 0.3707 0.0294 0.0284 -0.0422 244 SER C CB 8291 O OG . SER C 245 ? 0.3196 0.3239 0.3779 0.0276 0.0338 -0.0448 244 SER C OG 8292 N N . PRO C 246 ? 0.3529 0.3533 0.3944 0.0162 0.0378 -0.0354 245 PRO C N 8293 C CA . PRO C 246 ? 0.3713 0.3630 0.3987 0.0128 0.0378 -0.0315 245 PRO C CA 8294 C C . PRO C 246 ? 0.3768 0.3614 0.3977 0.0144 0.0357 -0.0316 245 PRO C C 8295 O O . PRO C 246 ? 0.4018 0.3797 0.4121 0.0122 0.0338 -0.0282 245 PRO C O 8296 C CB . PRO C 246 ? 0.4043 0.3946 0.4271 0.0084 0.0453 -0.0338 245 PRO C CB 8297 C CG . PRO C 246 ? 0.4167 0.4162 0.4513 0.0082 0.0482 -0.0367 245 PRO C CG 8298 C CD . PRO C 246 ? 0.3873 0.3935 0.4348 0.0137 0.0448 -0.0399 245 PRO C CD 8299 N N . GLU C 247 ? 0.3580 0.3439 0.3854 0.0184 0.0355 -0.0356 246 GLU C N 8300 C CA . GLU C 247 ? 0.3994 0.3778 0.4208 0.0202 0.0333 -0.0360 246 GLU C CA 8301 C C . GLU C 247 ? 0.3558 0.3314 0.3775 0.0233 0.0260 -0.0331 246 GLU C C 8302 O O . GLU C 247 ? 0.3263 0.2943 0.3418 0.0243 0.0238 -0.0330 246 GLU C O 8303 C CB . GLU C 247 ? 0.4594 0.4387 0.4860 0.0230 0.0374 -0.0425 246 GLU C CB 8304 C CG . GLU C 247 ? 0.5490 0.5297 0.5740 0.0193 0.0458 -0.0463 246 GLU C CG 8305 C CD . GLU C 247 ? 0.6269 0.6007 0.6377 0.0137 0.0475 -0.0422 246 GLU C CD 8306 O OE1 . GLU C 247 ? 0.7176 0.6828 0.7174 0.0129 0.0450 -0.0399 246 GLU C OE1 8307 O OE2 . GLU C 247 ? 0.7275 0.7042 0.7380 0.0103 0.0509 -0.0415 246 GLU C OE2 8308 N N . LYS C 248 ? 0.3216 0.3021 0.3492 0.0245 0.0226 -0.0310 247 LYS C N 8309 C CA . LYS C 248 ? 0.3053 0.2815 0.3308 0.0265 0.0163 -0.0280 247 LYS C CA 8310 C C . LYS C 248 ? 0.2843 0.2543 0.2989 0.0224 0.0145 -0.0235 247 LYS C C 8311 O O . LYS C 248 ? 0.2731 0.2457 0.2855 0.0189 0.0156 -0.0210 247 LYS C O 8312 C CB . LYS C 248 ? 0.3168 0.2991 0.3496 0.0281 0.0132 -0.0267 247 LYS C CB 8313 C CG . LYS C 248 ? 0.3332 0.3090 0.3606 0.0290 0.0074 -0.0232 247 LYS C CG 8314 C CD . LYS C 248 ? 0.3691 0.3480 0.4020 0.0316 0.0034 -0.0225 247 LYS C CD 8315 C CE . LYS C 248 ? 0.3907 0.3609 0.4150 0.0313 -0.0013 -0.0189 247 LYS C CE 8316 N NZ . LYS C 248 ? 0.4174 0.3780 0.4372 0.0347 -0.0041 -0.0206 247 LYS C NZ 8317 N N . VAL C 249 ? 0.2763 0.2382 0.2847 0.0230 0.0116 -0.0229 248 VAL C N 8318 C CA . VAL C 249 ? 0.2798 0.2365 0.2791 0.0189 0.0097 -0.0194 248 VAL C CA 8319 C C . VAL C 249 ? 0.2684 0.2258 0.2682 0.0182 0.0060 -0.0161 248 VAL C C 8320 O O . VAL C 249 ? 0.2757 0.2293 0.2759 0.0210 0.0031 -0.0162 248 VAL C O 8321 C CB . VAL C 249 ? 0.2973 0.2442 0.2889 0.0188 0.0089 -0.0205 248 VAL C CB 8322 C CG1 . VAL C 249 ? 0.3097 0.2524 0.2934 0.0141 0.0069 -0.0176 248 VAL C CG1 8323 C CG2 . VAL C 249 ? 0.3123 0.2581 0.3025 0.0192 0.0131 -0.0241 248 VAL C CG2 8324 N N . PHE C 250 ? 0.2489 0.2109 0.2485 0.0148 0.0060 -0.0134 249 PHE C N 8325 C CA . PHE C 250 ? 0.2404 0.2037 0.2403 0.0135 0.0033 -0.0106 249 PHE C CA 8326 C C . PHE C 250 ? 0.2462 0.2041 0.2389 0.0096 0.0016 -0.0091 249 PHE C C 8327 O O . PHE C 250 ? 0.2410 0.1958 0.2314 0.0086 -0.0003 -0.0075 249 PHE C O 8328 C CB . PHE C 250 ? 0.2324 0.2040 0.2367 0.0120 0.0042 -0.0092 249 PHE C CB 8329 C CG . PHE C 250 ? 0.2309 0.2083 0.2429 0.0150 0.0054 -0.0104 249 PHE C CG 8330 C CD1 . PHE C 250 ? 0.2298 0.2082 0.2458 0.0175 0.0031 -0.0102 249 PHE C CD1 8331 C CD2 . PHE C 250 ? 0.2354 0.2165 0.2499 0.0149 0.0089 -0.0120 249 PHE C CD2 8332 C CE1 . PHE C 250 ? 0.2236 0.2081 0.2476 0.0201 0.0039 -0.0120 249 PHE C CE1 8333 C CE2 . PHE C 250 ? 0.2249 0.2118 0.2471 0.0169 0.0105 -0.0137 249 PHE C CE2 8334 C CZ . PHE C 250 ? 0.2170 0.2062 0.2447 0.0196 0.0079 -0.0139 249 PHE C CZ 8335 N N . VAL C 251 ? 0.2406 0.1968 0.2291 0.0072 0.0027 -0.0097 250 VAL C N 8336 C CA . VAL C 251 ? 0.2435 0.1955 0.2260 0.0029 0.0014 -0.0091 250 VAL C CA 8337 C C . VAL C 251 ? 0.2562 0.2009 0.2327 0.0026 0.0020 -0.0110 250 VAL C C 8338 O O . VAL C 251 ? 0.2650 0.2108 0.2408 0.0031 0.0036 -0.0124 250 VAL C O 8339 C CB . VAL C 251 ? 0.2362 0.1952 0.2205 -0.0003 0.0010 -0.0082 250 VAL C CB 8340 C CG1 . VAL C 251 ? 0.2421 0.1982 0.2218 -0.0049 -0.0002 -0.0086 250 VAL C CG1 8341 C CG2 . VAL C 251 ? 0.2418 0.2074 0.2317 -0.0002 0.0005 -0.0065 250 VAL C CG2 8342 N N . GLN C 252 ? 0.2753 0.2114 0.2460 0.0015 0.0008 -0.0112 251 GLN C N 8343 C CA . GLN C 252 ? 0.2944 0.2223 0.2582 0.0006 0.0011 -0.0131 251 GLN C CA 8344 C C . GLN C 252 ? 0.3077 0.2322 0.2661 -0.0052 -0.0001 -0.0127 251 GLN C C 8345 O O . GLN C 252 ? 0.2999 0.2237 0.2577 -0.0079 -0.0010 -0.0112 251 GLN C O 8346 C CB . GLN C 252 ? 0.3268 0.2461 0.2883 0.0049 0.0008 -0.0146 251 GLN C CB 8347 C CG . GLN C 252 ? 0.3687 0.2781 0.3224 0.0043 0.0011 -0.0168 251 GLN C CG 8348 C CD . GLN C 252 ? 0.4066 0.3085 0.3596 0.0100 0.0007 -0.0190 251 GLN C CD 8349 O OE1 . GLN C 252 ? 0.4698 0.3715 0.4238 0.0128 0.0028 -0.0219 251 GLN C OE1 8350 N NE2 . GLN C 252 ? 0.4211 0.3169 0.3723 0.0120 -0.0019 -0.0179 251 GLN C NE2 8351 N N . THR C 253 ? 0.3200 0.2428 0.2745 -0.0075 0.0000 -0.0143 252 THR C N 8352 C CA . THR C 253 ? 0.3421 0.2619 0.2920 -0.0132 -0.0012 -0.0149 252 THR C CA 8353 C C . THR C 253 ? 0.3689 0.2784 0.3107 -0.0133 -0.0010 -0.0171 252 THR C C 8354 O O . THR C 253 ? 0.3616 0.2682 0.3026 -0.0089 0.0003 -0.0182 252 THR C O 8355 C CB . THR C 253 ? 0.3478 0.2775 0.3017 -0.0162 -0.0023 -0.0152 252 THR C CB 8356 O OG1 . THR C 253 ? 0.3630 0.2913 0.3135 -0.0155 -0.0026 -0.0169 252 THR C OG1 8357 C CG2 . THR C 253 ? 0.3329 0.2730 0.2951 -0.0139 -0.0022 -0.0135 252 THR C CG2 8358 N N . PRO C 254 ? 0.3977 0.3021 0.3340 -0.0185 -0.0020 -0.0182 253 PRO C N 8359 C CA . PRO C 254 ? 0.4451 0.3392 0.3732 -0.0188 -0.0019 -0.0204 253 PRO C CA 8360 C C . PRO C 254 ? 0.4675 0.3640 0.3946 -0.0170 -0.0014 -0.0221 253 PRO C C 8361 O O . PRO C 254 ? 0.4970 0.3851 0.4180 -0.0152 -0.0004 -0.0241 253 PRO C O 8362 C CB . PRO C 254 ? 0.4514 0.3418 0.3751 -0.0260 -0.0032 -0.0214 253 PRO C CB 8363 C CG . PRO C 254 ? 0.4437 0.3397 0.3722 -0.0290 -0.0031 -0.0195 253 PRO C CG 8364 C CD . PRO C 254 ? 0.4146 0.3226 0.3522 -0.0248 -0.0030 -0.0180 253 PRO C CD 8365 N N . THR C 255 ? 0.4577 0.3644 0.3899 -0.0172 -0.0021 -0.0215 254 THR C N 8366 C CA . THR C 255 ? 0.4766 0.3838 0.4053 -0.0164 -0.0021 -0.0230 254 THR C CA 8367 C C . THR C 255 ? 0.4522 0.3651 0.3847 -0.0123 -0.0003 -0.0219 254 THR C C 8368 O O . THR C 255 ? 0.4560 0.3671 0.3835 -0.0117 0.0003 -0.0231 254 THR C O 8369 C CB . THR C 255 ? 0.5127 0.4244 0.4410 -0.0207 -0.0057 -0.0238 254 THR C CB 8370 O OG1 . THR C 255 ? 0.5170 0.4392 0.4541 -0.0215 -0.0071 -0.0222 254 THR C OG1 8371 C CG2 . THR C 255 ? 0.5500 0.4551 0.4732 -0.0256 -0.0072 -0.0258 254 THR C CG2 8372 N N . ILE C 256 ? 0.3929 0.3119 0.3331 -0.0099 0.0006 -0.0200 255 ILE C N 8373 C CA . ILE C 256 ? 0.3735 0.2981 0.3175 -0.0069 0.0025 -0.0192 255 ILE C CA 8374 C C . ILE C 256 ? 0.3632 0.2920 0.3151 -0.0038 0.0040 -0.0178 255 ILE C C 8375 O O . ILE C 256 ? 0.3654 0.2951 0.3203 -0.0047 0.0024 -0.0165 255 ILE C O 8376 C CB . ILE C 256 ? 0.3866 0.3176 0.3315 -0.0087 0.0000 -0.0182 255 ILE C CB 8377 C CG1 . ILE C 256 ? 0.3976 0.3314 0.3431 -0.0062 0.0019 -0.0175 255 ILE C CG1 8378 C CG2 . ILE C 256 ? 0.3975 0.3360 0.3498 -0.0105 -0.0025 -0.0166 255 ILE C CG2 8379 C CD1 . ILE C 256 ? 0.3997 0.3366 0.3432 -0.0074 -0.0013 -0.0167 255 ILE C CD1 8380 N N A ASN C 257 ? 0.3493 0.2803 0.3040 -0.0005 0.0070 -0.0183 256 ASN C N 8381 N N B ASN C 257 ? 0.3498 0.2807 0.3045 -0.0004 0.0070 -0.0184 256 ASN C N 8382 C CA A ASN C 257 ? 0.3381 0.2744 0.3011 0.0025 0.0081 -0.0175 256 ASN C CA 8383 C CA B ASN C 257 ? 0.3385 0.2747 0.3014 0.0026 0.0081 -0.0176 256 ASN C CA 8384 C C A ASN C 257 ? 0.3220 0.2660 0.2890 0.0025 0.0087 -0.0160 256 ASN C C 8385 C C B ASN C 257 ? 0.3218 0.2658 0.2888 0.0025 0.0087 -0.0160 256 ASN C C 8386 O O A ASN C 257 ? 0.3373 0.2805 0.2996 0.0012 0.0095 -0.0163 256 ASN C O 8387 O O B ASN C 257 ? 0.3351 0.2785 0.2975 0.0012 0.0095 -0.0163 256 ASN C O 8388 C CB A ASN C 257 ? 0.3478 0.2811 0.3119 0.0063 0.0113 -0.0203 256 ASN C CB 8389 C CB B ASN C 257 ? 0.3488 0.2830 0.3136 0.0064 0.0116 -0.0203 256 ASN C CB 8390 C CG A ASN C 257 ? 0.3678 0.2924 0.3281 0.0073 0.0101 -0.0218 256 ASN C CG 8391 C CG B ASN C 257 ? 0.3714 0.2982 0.3344 0.0085 0.0108 -0.0220 256 ASN C CG 8392 O OD1 A ASN C 257 ? 0.3782 0.3006 0.3386 0.0069 0.0072 -0.0202 256 ASN C OD1 8393 O OD1 B ASN C 257 ? 0.3776 0.2998 0.3374 0.0069 0.0077 -0.0206 256 ASN C OD1 8394 N ND2 A ASN C 257 ? 0.3910 0.3098 0.3468 0.0085 0.0124 -0.0250 256 ASN C ND2 8395 N ND2 B ASN C 257 ? 0.3854 0.3108 0.3504 0.0122 0.0137 -0.0254 256 ASN C ND2 8396 N N . TYR C 258 ? 0.2831 0.2332 0.2575 0.0038 0.0080 -0.0144 257 TYR C N 8397 C CA . TYR C 258 ? 0.2602 0.2170 0.2388 0.0041 0.0089 -0.0131 257 TYR C CA 8398 C C . TYR C 258 ? 0.2504 0.2114 0.2366 0.0072 0.0109 -0.0137 257 TYR C C 8399 O O . TYR C 258 ? 0.2440 0.2063 0.2347 0.0087 0.0092 -0.0130 257 TYR C O 8400 C CB . TYR C 258 ? 0.2493 0.2110 0.2300 0.0021 0.0056 -0.0108 257 TYR C CB 8401 C CG . TYR C 258 ? 0.2433 0.2030 0.2188 -0.0008 0.0028 -0.0109 257 TYR C CG 8402 C CD1 . TYR C 258 ? 0.2489 0.2081 0.2198 -0.0017 0.0018 -0.0110 257 TYR C CD1 8403 C CD2 . TYR C 258 ? 0.2552 0.2133 0.2301 -0.0030 0.0009 -0.0110 257 TYR C CD2 8404 C CE1 . TYR C 258 ? 0.2476 0.2057 0.2147 -0.0041 -0.0015 -0.0117 257 TYR C CE1 8405 C CE2 . TYR C 258 ? 0.2568 0.2143 0.2284 -0.0062 -0.0016 -0.0118 257 TYR C CE2 8406 C CZ . TYR C 258 ? 0.2524 0.2106 0.2208 -0.0064 -0.0032 -0.0123 257 TYR C CZ 8407 O OH . TYR C 258 ? 0.2633 0.2215 0.2293 -0.0093 -0.0065 -0.0137 257 TYR C OH 8408 N N . THR C 259 ? 0.2402 0.2027 0.2271 0.0078 0.0146 -0.0152 258 THR C N 8409 C CA . THR C 259 ? 0.2248 0.1930 0.2199 0.0099 0.0170 -0.0162 258 THR C CA 8410 C C . THR C 259 ? 0.2212 0.1939 0.2174 0.0084 0.0172 -0.0141 258 THR C C 8411 O O . THR C 259 ? 0.2215 0.1925 0.2121 0.0063 0.0152 -0.0121 258 THR C O 8412 C CB . THR C 259 ? 0.2336 0.2008 0.2292 0.0109 0.0222 -0.0201 258 THR C CB 8413 O OG1 . THR C 259 ? 0.2389 0.2033 0.2272 0.0079 0.0253 -0.0201 258 THR C OG1 8414 C CG2 . THR C 259 ? 0.2455 0.2069 0.2382 0.0124 0.0222 -0.0226 258 THR C CG2 8415 N N . LEU C 260 ? 0.2183 0.1963 0.2216 0.0095 0.0193 -0.0149 259 LEU C N 8416 C CA . LEU C 260 ? 0.2208 0.2017 0.2242 0.0079 0.0198 -0.0131 259 LEU C CA 8417 C C . LEU C 260 ? 0.2258 0.2017 0.2206 0.0054 0.0230 -0.0134 259 LEU C C 8418 O O . LEU C 260 ? 0.2345 0.2102 0.2267 0.0040 0.0228 -0.0117 259 LEU C O 8419 C CB . LEU C 260 ? 0.2288 0.2165 0.2419 0.0093 0.0212 -0.0141 259 LEU C CB 8420 C CG . LEU C 260 ? 0.2473 0.2374 0.2657 0.0100 0.0261 -0.0183 259 LEU C CG 8421 C CD1 . LEU C 260 ? 0.2613 0.2496 0.2751 0.0066 0.0312 -0.0190 259 LEU C CD1 8422 C CD2 . LEU C 260 ? 0.2632 0.2609 0.2931 0.0125 0.0248 -0.0195 259 LEU C CD2 8423 N N . ARG C 261 ? 0.2267 0.1975 0.2160 0.0047 0.0258 -0.0157 260 ARG C N 8424 C CA . ARG C 261 ? 0.2302 0.1937 0.2081 0.0019 0.0284 -0.0158 260 ARG C CA 8425 C C . ARG C 261 ? 0.2294 0.1870 0.1977 0.0010 0.0236 -0.0136 260 ARG C C 8426 O O . ARG C 261 ? 0.2432 0.1933 0.2002 -0.0008 0.0244 -0.0134 260 ARG C O 8427 C CB . ARG C 261 ? 0.2432 0.2038 0.2190 0.0012 0.0344 -0.0198 260 ARG C CB 8428 C CG . ARG C 261 ? 0.2520 0.2194 0.2382 0.0016 0.0397 -0.0231 260 ARG C CG 8429 C CD . ARG C 261 ? 0.2679 0.2316 0.2495 -0.0006 0.0472 -0.0273 260 ARG C CD 8430 N NE . ARG C 261 ? 0.2707 0.2313 0.2505 0.0008 0.0479 -0.0301 260 ARG C NE 8431 C CZ . ARG C 261 ? 0.2833 0.2395 0.2577 -0.0008 0.0539 -0.0340 260 ARG C CZ 8432 N NH1 . ARG C 261 ? 0.2951 0.2484 0.2635 -0.0050 0.0604 -0.0355 260 ARG C NH1 8433 N NH2 . ARG C 261 ? 0.2980 0.2516 0.2717 0.0011 0.0538 -0.0366 260 ARG C NH2 8434 N N . ASP C 262 ? 0.2183 0.1791 0.1908 0.0023 0.0187 -0.0122 261 ASP C N 8435 C CA . ASP C 262 ? 0.2287 0.1856 0.1946 0.0013 0.0142 -0.0112 261 ASP C CA 8436 C C . ASP C 262 ? 0.2292 0.1907 0.1983 0.0015 0.0090 -0.0088 261 ASP C C 8437 O O . ASP C 262 ? 0.2216 0.1832 0.1897 0.0008 0.0049 -0.0087 261 ASP C O 8438 C CB . ASP C 262 ? 0.2350 0.1907 0.2021 0.0017 0.0134 -0.0126 261 ASP C CB 8439 C CG . ASP C 262 ? 0.2504 0.2014 0.2142 0.0020 0.0180 -0.0155 261 ASP C CG 8440 O OD1 . ASP C 262 ? 0.2584 0.2035 0.2133 0.0004 0.0206 -0.0165 261 ASP C OD1 8441 O OD2 . ASP C 262 ? 0.2664 0.2189 0.2361 0.0039 0.0190 -0.0171 261 ASP C OD2 8442 N N . TYR C 263 ? 0.2236 0.1892 0.1971 0.0022 0.0093 -0.0075 262 TYR C N 8443 C CA . TYR C 263 ? 0.2210 0.1916 0.1986 0.0028 0.0048 -0.0059 262 TYR C CA 8444 C C . TYR C 263 ? 0.2280 0.1951 0.1986 0.0023 0.0003 -0.0055 262 TYR C C 8445 O O . TYR C 263 ? 0.2188 0.1906 0.1936 0.0025 -0.0038 -0.0055 262 TYR C O 8446 C CB . TYR C 263 ? 0.2184 0.1934 0.2016 0.0037 0.0060 -0.0047 262 TYR C CB 8447 C CG . TYR C 263 ? 0.2149 0.1952 0.2071 0.0047 0.0085 -0.0052 262 TYR C CG 8448 C CD1 . TYR C 263 ? 0.2296 0.2120 0.2260 0.0051 0.0076 -0.0057 262 TYR C CD1 8449 C CD2 . TYR C 263 ? 0.2293 0.2119 0.2253 0.0051 0.0114 -0.0052 262 TYR C CD2 8450 C CE1 . TYR C 263 ? 0.2273 0.2133 0.2307 0.0065 0.0088 -0.0061 262 TYR C CE1 8451 C CE2 . TYR C 263 ? 0.2127 0.2004 0.2172 0.0063 0.0128 -0.0061 262 TYR C CE2 8452 C CZ . TYR C 263 ? 0.2216 0.2107 0.2294 0.0073 0.0111 -0.0064 262 TYR C CZ 8453 O OH . TYR C 263 ? 0.2089 0.2016 0.2239 0.0091 0.0115 -0.0072 262 TYR C OH 8454 N N . ARG C 264 ? 0.2372 0.1961 0.1971 0.0018 0.0009 -0.0055 263 ARG C N 8455 C CA . ARG C 264 ? 0.2601 0.2147 0.2124 0.0021 -0.0046 -0.0054 263 ARG C CA 8456 C C . ARG C 264 ? 0.2538 0.2097 0.2068 0.0012 -0.0080 -0.0069 263 ARG C C 8457 O O . ARG C 264 ? 0.2447 0.2051 0.2012 0.0018 -0.0134 -0.0074 263 ARG C O 8458 C CB . ARG C 264 ? 0.2840 0.2269 0.2219 0.0013 -0.0034 -0.0050 263 ARG C CB 8459 C CG . ARG C 264 ? 0.3157 0.2532 0.2451 0.0026 -0.0103 -0.0045 263 ARG C CG 8460 C CD . ARG C 264 ? 0.3484 0.2716 0.2606 0.0015 -0.0088 -0.0038 263 ARG C CD 8461 N NE . ARG C 264 ? 0.3795 0.2959 0.2826 0.0036 -0.0159 -0.0029 263 ARG C NE 8462 C CZ . ARG C 264 ? 0.4233 0.3350 0.3191 0.0046 -0.0227 -0.0039 263 ARG C CZ 8463 N NH1 . ARG C 264 ? 0.4173 0.3308 0.3140 0.0032 -0.0231 -0.0058 263 ARG C NH1 8464 N NH2 . ARG C 264 ? 0.4418 0.3464 0.3291 0.0072 -0.0298 -0.0032 263 ARG C NH2 8465 N N . LYS C 265 ? 0.2541 0.2068 0.2047 -0.0001 -0.0047 -0.0081 264 LYS C N 8466 C CA . LYS C 265 ? 0.2716 0.2247 0.2224 -0.0015 -0.0072 -0.0097 264 LYS C CA 8467 C C . LYS C 265 ? 0.2542 0.2164 0.2163 -0.0019 -0.0087 -0.0098 264 LYS C C 8468 O O . LYS C 265 ? 0.2599 0.2248 0.2238 -0.0033 -0.0126 -0.0111 264 LYS C O 8469 C CB . LYS C 265 ? 0.2896 0.2376 0.2370 -0.0025 -0.0025 -0.0110 264 LYS C CB 8470 C CG . LYS C 265 ? 0.3200 0.2585 0.2558 -0.0030 0.0004 -0.0118 264 LYS C CG 8471 C CD . LYS C 265 ? 0.3160 0.2495 0.2481 -0.0040 0.0034 -0.0139 264 LYS C CD 8472 C CE . LYS C 265 ? 0.3073 0.2444 0.2478 -0.0028 0.0080 -0.0147 264 LYS C CE 8473 N NZ . LYS C 265 ? 0.2978 0.2280 0.2322 -0.0032 0.0114 -0.0173 264 LYS C NZ 8474 N N . PHE C 266 ? 0.2406 0.2070 0.2099 -0.0011 -0.0054 -0.0088 265 PHE C N 8475 C CA . PHE C 266 ? 0.2349 0.2086 0.2135 -0.0018 -0.0061 -0.0086 265 PHE C CA 8476 C C . PHE C 266 ? 0.2233 0.2038 0.2067 -0.0018 -0.0103 -0.0089 265 PHE C C 8477 O O . PHE C 266 ? 0.2245 0.2092 0.2118 -0.0038 -0.0125 -0.0103 265 PHE C O 8478 C CB . PHE C 266 ? 0.2296 0.2059 0.2137 -0.0002 -0.0025 -0.0074 265 PHE C CB 8479 C CG . PHE C 266 ? 0.2298 0.2119 0.2212 -0.0009 -0.0031 -0.0069 265 PHE C CG 8480 C CD1 . PHE C 266 ? 0.2374 0.2172 0.2285 -0.0026 -0.0026 -0.0075 265 PHE C CD1 8481 C CD2 . PHE C 266 ? 0.2300 0.2183 0.2272 -0.0001 -0.0039 -0.0060 265 PHE C CD2 8482 C CE1 . PHE C 266 ? 0.2409 0.2243 0.2367 -0.0039 -0.0028 -0.0070 265 PHE C CE1 8483 C CE2 . PHE C 266 ? 0.2390 0.2320 0.2418 -0.0012 -0.0040 -0.0059 265 PHE C CE2 8484 C CZ . PHE C 266 ? 0.2347 0.2248 0.2362 -0.0033 -0.0033 -0.0063 265 PHE C CZ 8485 N N . PHE C 267 ? 0.2220 0.2030 0.2047 0.0002 -0.0115 -0.0079 266 PHE C N 8486 C CA . PHE C 267 ? 0.2257 0.2130 0.2133 0.0011 -0.0160 -0.0087 266 PHE C CA 8487 C C . PHE C 267 ? 0.2392 0.2262 0.2241 0.0005 -0.0212 -0.0110 266 PHE C C 8488 O O . PHE C 267 ? 0.2445 0.2394 0.2370 0.0000 -0.0245 -0.0131 266 PHE C O 8489 C CB . PHE C 267 ? 0.2232 0.2094 0.2095 0.0039 -0.0164 -0.0071 266 PHE C CB 8490 C CG . PHE C 267 ? 0.2236 0.2144 0.2168 0.0045 -0.0129 -0.0058 266 PHE C CG 8491 C CD1 . PHE C 267 ? 0.2140 0.2134 0.2166 0.0040 -0.0134 -0.0065 266 PHE C CD1 8492 C CD2 . PHE C 267 ? 0.2185 0.2051 0.2088 0.0051 -0.0088 -0.0042 266 PHE C CD2 8493 C CE1 . PHE C 267 ? 0.2082 0.2109 0.2159 0.0045 -0.0107 -0.0053 266 PHE C CE1 8494 C CE2 . PHE C 267 ? 0.2210 0.2120 0.2178 0.0056 -0.0063 -0.0033 266 PHE C CE2 8495 C CZ . PHE C 267 ? 0.2104 0.2090 0.2153 0.0056 -0.0075 -0.0036 266 PHE C CZ 8496 N N . GLN C 268 ? 0.2497 0.2279 0.2242 0.0004 -0.0220 -0.0110 267 GLN C N 8497 C CA . GLN C 268 ? 0.2729 0.2499 0.2440 -0.0003 -0.0273 -0.0135 267 GLN C CA 8498 C C . GLN C 268 ? 0.2686 0.2510 0.2461 -0.0039 -0.0267 -0.0156 267 GLN C C 8499 O O . GLN C 268 ? 0.2655 0.2541 0.2484 -0.0049 -0.0311 -0.0185 267 GLN C O 8500 C CB . GLN C 268 ? 0.2931 0.2581 0.2501 -0.0004 -0.0274 -0.0131 267 GLN C CB 8501 C CG . GLN C 268 ? 0.3273 0.2846 0.2749 0.0022 -0.0286 -0.0113 267 GLN C CG 8502 C CD . GLN C 268 ? 0.3621 0.3063 0.2940 0.0013 -0.0276 -0.0111 267 GLN C CD 8503 O OE1 . GLN C 268 ? 0.3921 0.3325 0.3209 -0.0006 -0.0221 -0.0112 267 GLN C OE1 8504 N NE2 . GLN C 268 ? 0.4046 0.3411 0.3260 0.0030 -0.0330 -0.0111 267 GLN C NE2 8505 N N . ASP C 269 ? 0.2593 0.2384 0.2357 -0.0057 -0.0215 -0.0146 268 ASP C N 8506 C CA . ASP C 269 ? 0.2668 0.2468 0.2451 -0.0095 -0.0208 -0.0164 268 ASP C CA 8507 C C . ASP C 269 ? 0.2756 0.2650 0.2646 -0.0117 -0.0201 -0.0173 268 ASP C C 8508 O O . ASP C 269 ? 0.2831 0.2746 0.2744 -0.0156 -0.0206 -0.0196 268 ASP C O 8509 C CB . ASP C 269 ? 0.2746 0.2464 0.2470 -0.0101 -0.0160 -0.0152 268 ASP C CB 8510 C CG . ASP C 269 ? 0.2769 0.2391 0.2380 -0.0093 -0.0162 -0.0155 268 ASP C CG 8511 O OD1 . ASP C 269 ? 0.2749 0.2359 0.2317 -0.0088 -0.0206 -0.0166 268 ASP C OD1 8512 O OD2 . ASP C 269 ? 0.2816 0.2372 0.2381 -0.0089 -0.0119 -0.0150 268 ASP C OD2 8513 N N . ILE C 270 ? 0.2683 0.2628 0.2632 -0.0097 -0.0187 -0.0157 269 ILE C N 8514 C CA . ILE C 270 ? 0.2719 0.2753 0.2762 -0.0119 -0.0180 -0.0169 269 ILE C CA 8515 C C . ILE C 270 ? 0.2845 0.2974 0.2964 -0.0112 -0.0225 -0.0198 269 ILE C C 8516 O O . ILE C 270 ? 0.3057 0.3271 0.3262 -0.0135 -0.0218 -0.0219 269 ILE C O 8517 C CB . ILE C 270 ? 0.2570 0.2614 0.2641 -0.0106 -0.0142 -0.0143 269 ILE C CB 8518 C CG1 . ILE C 270 ? 0.2442 0.2508 0.2529 -0.0062 -0.0154 -0.0129 269 ILE C CG1 8519 C CG2 . ILE C 270 ? 0.2595 0.2551 0.2604 -0.0107 -0.0105 -0.0122 269 ILE C CG2 8520 C CD1 . ILE C 270 ? 0.2368 0.2446 0.2484 -0.0050 -0.0121 -0.0107 269 ILE C CD1 8521 N N . GLY C 271 ? 0.3001 0.3111 0.3085 -0.0081 -0.0272 -0.0204 270 GLY C N 8522 C CA . GLY C 271 ? 0.3036 0.3227 0.3187 -0.0063 -0.0328 -0.0236 270 GLY C CA 8523 C C . GLY C 271 ? 0.3145 0.3383 0.3349 -0.0025 -0.0330 -0.0226 270 GLY C C 8524 O O . GLY C 271 ? 0.3135 0.3473 0.3438 -0.0018 -0.0357 -0.0258 270 GLY C O 8525 N N . PHE C 272 ? 0.2933 0.3100 0.3074 -0.0001 -0.0303 -0.0186 271 PHE C N 8526 C CA . PHE C 272 ? 0.2883 0.3078 0.3059 0.0032 -0.0303 -0.0174 271 PHE C CA 8527 C C . PHE C 272 ? 0.2956 0.3048 0.3028 0.0065 -0.0309 -0.0143 271 PHE C C 8528 O O . PHE C 272 ? 0.2637 0.2691 0.2683 0.0068 -0.0264 -0.0114 271 PHE C O 8529 C CB . PHE C 272 ? 0.2786 0.3024 0.3021 0.0012 -0.0247 -0.0161 271 PHE C CB 8530 C CG . PHE C 272 ? 0.2817 0.3093 0.3098 0.0042 -0.0247 -0.0155 271 PHE C CG 8531 C CD1 . PHE C 272 ? 0.2966 0.3315 0.3318 0.0067 -0.0290 -0.0185 271 PHE C CD1 8532 C CD2 . PHE C 272 ? 0.2938 0.3178 0.3197 0.0048 -0.0206 -0.0123 271 PHE C CD2 8533 C CE1 . PHE C 272 ? 0.3057 0.3434 0.3447 0.0097 -0.0291 -0.0181 271 PHE C CE1 8534 C CE2 . PHE C 272 ? 0.2941 0.3209 0.3236 0.0074 -0.0207 -0.0118 271 PHE C CE2 8535 C CZ . PHE C 272 ? 0.2856 0.3186 0.3211 0.0099 -0.0248 -0.0146 271 PHE C CZ 8536 N N . GLU C 273 ? 0.3211 0.3254 0.3219 0.0090 -0.0365 -0.0152 272 GLU C N 8537 C CA . GLU C 273 ? 0.3448 0.3371 0.3329 0.0113 -0.0370 -0.0124 272 GLU C CA 8538 C C . GLU C 273 ? 0.3264 0.3179 0.3153 0.0140 -0.0360 -0.0104 272 GLU C C 8539 O O . GLU C 273 ? 0.3077 0.2902 0.2877 0.0140 -0.0327 -0.0076 272 GLU C O 8540 C CB . GLU C 273 ? 0.4232 0.4091 0.4028 0.0133 -0.0443 -0.0139 272 GLU C CB 8541 C CG . GLU C 273 ? 0.4848 0.4679 0.4600 0.0100 -0.0439 -0.0151 272 GLU C CG 8542 C CD . GLU C 273 ? 0.5943 0.5716 0.5612 0.0116 -0.0516 -0.0172 272 GLU C CD 8543 O OE1 . GLU C 273 ? 0.6426 0.6179 0.6072 0.0158 -0.0582 -0.0179 272 GLU C OE1 8544 O OE2 . GLU C 273 ? 0.6569 0.6311 0.6192 0.0088 -0.0514 -0.0182 272 GLU C OE2 8545 N N . ASP C 274 ? 0.2914 0.2924 0.2910 0.0159 -0.0383 -0.0123 273 ASP C N 8546 C CA . ASP C 274 ? 0.2983 0.2988 0.2991 0.0184 -0.0373 -0.0107 273 ASP C CA 8547 C C . ASP C 274 ? 0.2595 0.2590 0.2605 0.0160 -0.0298 -0.0079 273 ASP C C 8548 O O . ASP C 274 ? 0.2622 0.2569 0.2597 0.0172 -0.0282 -0.0059 273 ASP C O 8549 C CB . ASP C 274 ? 0.3094 0.3218 0.3233 0.0204 -0.0399 -0.0138 273 ASP C CB 8550 C CG . ASP C 274 ? 0.3596 0.3729 0.3743 0.0247 -0.0485 -0.0170 273 ASP C CG 8551 O OD1 . ASP C 274 ? 0.3745 0.3769 0.3774 0.0268 -0.0530 -0.0160 273 ASP C OD1 8552 O OD2 . ASP C 274 ? 0.3818 0.4068 0.4092 0.0261 -0.0506 -0.0208 273 ASP C OD2 8553 N N . GLY C 275 ? 0.2410 0.2449 0.2465 0.0126 -0.0258 -0.0081 274 GLY C N 8554 C CA . GLY C 275 ? 0.2385 0.2417 0.2448 0.0109 -0.0197 -0.0059 274 GLY C CA 8555 C C . GLY C 275 ? 0.2446 0.2377 0.2408 0.0108 -0.0169 -0.0038 274 GLY C C 8556 O O . GLY C 275 ? 0.2446 0.2367 0.2414 0.0106 -0.0131 -0.0023 274 GLY C O 8557 N N . TRP C 276 ? 0.2455 0.2310 0.2324 0.0105 -0.0186 -0.0039 275 TRP C N 8558 C CA . TRP C 276 ? 0.2532 0.2285 0.2294 0.0097 -0.0152 -0.0023 275 TRP C CA 8559 C C . TRP C 276 ? 0.2506 0.2200 0.2213 0.0114 -0.0160 -0.0009 275 TRP C C 8560 O O . TRP C 276 ? 0.2416 0.2067 0.2090 0.0102 -0.0112 0.0002 275 TRP C O 8561 C CB . TRP C 276 ? 0.2696 0.2371 0.2355 0.0088 -0.0171 -0.0030 275 TRP C CB 8562 C CG . TRP C 276 ? 0.2835 0.2388 0.2361 0.0078 -0.0139 -0.0018 275 TRP C CG 8563 C CD1 . TRP C 276 ? 0.3128 0.2569 0.2518 0.0085 -0.0173 -0.0012 275 TRP C CD1 8564 C CD2 . TRP C 276 ? 0.2808 0.2337 0.2320 0.0055 -0.0067 -0.0014 275 TRP C CD2 8565 N NE1 . TRP C 276 ? 0.3199 0.2540 0.2480 0.0062 -0.0118 -0.0003 275 TRP C NE1 8566 C CE2 . TRP C 276 ? 0.3002 0.2406 0.2368 0.0043 -0.0050 -0.0008 275 TRP C CE2 8567 C CE3 . TRP C 276 ? 0.2723 0.2320 0.2329 0.0046 -0.0017 -0.0019 275 TRP C CE3 8568 C CZ2 . TRP C 276 ? 0.3039 0.2399 0.2365 0.0016 0.0022 -0.0011 275 TRP C CZ2 8569 C CZ3 . TRP C 276 ? 0.2848 0.2408 0.2424 0.0027 0.0046 -0.0023 275 TRP C CZ3 8570 C CH2 . TRP C 276 ? 0.2894 0.2343 0.2338 0.0010 0.0070 -0.0021 275 TRP C CH2 8571 N N . LEU C 277 ? 0.2460 0.2153 0.2161 0.0142 -0.0222 -0.0015 276 LEU C N 8572 C CA . LEU C 277 ? 0.2642 0.2269 0.2286 0.0164 -0.0239 -0.0003 276 LEU C CA 8573 C C . LEU C 277 ? 0.2523 0.2214 0.2257 0.0163 -0.0202 0.0003 276 LEU C C 8574 O O . LEU C 277 ? 0.2609 0.2233 0.2287 0.0156 -0.0171 0.0018 276 LEU C O 8575 C CB . LEU C 277 ? 0.2777 0.2399 0.2412 0.0204 -0.0323 -0.0017 276 LEU C CB 8576 C CG . LEU C 277 ? 0.3059 0.2620 0.2607 0.0211 -0.0376 -0.0028 276 LEU C CG 8577 C CD1 . LEU C 277 ? 0.3200 0.2775 0.2765 0.0259 -0.0468 -0.0050 276 LEU C CD1 8578 C CD2 . LEU C 277 ? 0.3285 0.2681 0.2649 0.0193 -0.0355 -0.0006 276 LEU C CD2 8579 N N . MET C 278 ? 0.2416 0.2227 0.2279 0.0163 -0.0199 -0.0009 277 MET C N 8580 C CA . MET C 278 ? 0.2364 0.2236 0.2309 0.0159 -0.0163 -0.0004 277 MET C CA 8581 C C . MET C 278 ? 0.2277 0.2126 0.2208 0.0132 -0.0100 0.0007 277 MET C C 8582 O O . MET C 278 ? 0.2158 0.1996 0.2095 0.0128 -0.0073 0.0015 277 MET C O 8583 C CB . MET C 278 ? 0.2405 0.2396 0.2470 0.0158 -0.0166 -0.0021 277 MET C CB 8584 C CG . MET C 278 ? 0.2540 0.2588 0.2659 0.0184 -0.0220 -0.0045 277 MET C CG 8585 S SD . MET C 278 ? 0.2813 0.2990 0.3056 0.0161 -0.0202 -0.0067 277 MET C SD 8586 C CE . MET C 278 ? 0.3100 0.3352 0.3415 0.0192 -0.0262 -0.0106 277 MET C CE 8587 N N . ARG C 279 ? 0.2238 0.2080 0.2154 0.0112 -0.0077 0.0004 278 ARG C N 8588 C CA . ARG C 279 ? 0.2251 0.2078 0.2164 0.0091 -0.0020 0.0007 278 ARG C CA 8589 C C . ARG C 279 ? 0.2424 0.2155 0.2239 0.0079 0.0005 0.0014 278 ARG C C 8590 O O . ARG C 279 ? 0.2390 0.2126 0.2228 0.0066 0.0047 0.0014 278 ARG C O 8591 C CB . ARG C 279 ? 0.2224 0.2055 0.2136 0.0077 -0.0005 -0.0002 278 ARG C CB 8592 C CG . ARG C 279 ? 0.2234 0.2058 0.2156 0.0062 0.0050 -0.0008 278 ARG C CG 8593 C CD . ARG C 279 ? 0.2134 0.2032 0.2157 0.0067 0.0066 -0.0010 278 ARG C CD 8594 N NE . ARG C 279 ? 0.2123 0.2029 0.2175 0.0060 0.0110 -0.0024 278 ARG C NE 8595 C CZ . ARG C 279 ? 0.2068 0.2033 0.2205 0.0068 0.0119 -0.0032 278 ARG C CZ 8596 N NH1 . ARG C 279 ? 0.2021 0.2033 0.2210 0.0078 0.0092 -0.0022 278 ARG C NH1 8597 N NH2 . ARG C 279 ? 0.2115 0.2089 0.2285 0.0066 0.0153 -0.0052 278 ARG C NH2 8598 N N . GLN C 280 ? 0.2639 0.2278 0.2341 0.0082 -0.0020 0.0019 279 GLN C N 8599 C CA . GLN C 280 ? 0.2945 0.2467 0.2525 0.0065 0.0004 0.0028 279 GLN C CA 8600 C C . GLN C 280 ? 0.2866 0.2378 0.2456 0.0073 0.0001 0.0038 279 GLN C C 8601 O O . GLN C 280 ? 0.2913 0.2370 0.2456 0.0046 0.0048 0.0041 279 GLN C O 8602 C CB . GLN C 280 ? 0.3285 0.2692 0.2722 0.0072 -0.0036 0.0034 279 GLN C CB 8603 C CG . GLN C 280 ? 0.3741 0.3124 0.3131 0.0056 -0.0023 0.0025 279 GLN C CG 8604 C CD . GLN C 280 ? 0.4233 0.3484 0.3460 0.0061 -0.0067 0.0031 279 GLN C CD 8605 O OE1 . GLN C 280 ? 0.4749 0.3990 0.3962 0.0095 -0.0142 0.0033 279 GLN C OE1 8606 N NE2 . GLN C 280 ? 0.4711 0.3859 0.3814 0.0030 -0.0024 0.0031 279 GLN C NE2 8607 N N . ASP C 281 ? 0.2771 0.2334 0.2419 0.0107 -0.0052 0.0038 280 ASP C N 8608 C CA . ASP C 281 ? 0.2877 0.2426 0.2533 0.0120 -0.0062 0.0045 280 ASP C CA 8609 C C . ASP C 281 ? 0.2821 0.2442 0.2572 0.0099 -0.0009 0.0041 280 ASP C C 8610 O O . ASP C 281 ? 0.2976 0.2562 0.2710 0.0092 0.0005 0.0046 280 ASP C O 8611 C CB . ASP C 281 ? 0.2989 0.2606 0.2719 0.0162 -0.0125 0.0037 280 ASP C CB 8612 C CG . ASP C 281 ? 0.3308 0.2868 0.2967 0.0194 -0.0194 0.0033 280 ASP C CG 8613 O OD1 . ASP C 281 ? 0.3369 0.2800 0.2885 0.0188 -0.0204 0.0044 280 ASP C OD1 8614 O OD2 . ASP C 281 ? 0.3439 0.3088 0.3189 0.0224 -0.0240 0.0016 280 ASP C OD2 8615 N N . THR C 282 ? 0.2478 0.2199 0.2331 0.0092 0.0011 0.0031 281 THR C N 8616 C CA . THR C 282 ? 0.2344 0.2147 0.2300 0.0086 0.0039 0.0025 281 THR C CA 8617 C C . THR C 282 ? 0.2471 0.2293 0.2456 0.0058 0.0095 0.0013 281 THR C C 8618 O O . THR C 282 ? 0.2411 0.2284 0.2468 0.0051 0.0118 0.0005 281 THR C O 8619 C CB . THR C 282 ? 0.2166 0.2071 0.2222 0.0106 0.0011 0.0019 281 THR C CB 8620 O OG1 . THR C 282 ? 0.2188 0.2118 0.2256 0.0102 0.0009 0.0014 281 THR C OG1 8621 C CG2 . THR C 282 ? 0.2138 0.2046 0.2193 0.0133 -0.0037 0.0020 281 THR C CG2 8622 N N . GLU C 283 ? 0.2635 0.2423 0.2572 0.0044 0.0115 0.0008 282 GLU C N 8623 C CA . GLU C 283 ? 0.2765 0.2587 0.2749 0.0026 0.0165 -0.0011 282 GLU C CA 8624 C C . GLU C 283 ? 0.2804 0.2609 0.2789 -0.0003 0.0217 -0.0023 282 GLU C C 8625 O O . GLU C 283 ? 0.2624 0.2492 0.2694 -0.0012 0.0252 -0.0047 282 GLU C O 8626 C CB . GLU C 283 ? 0.3014 0.2790 0.2934 0.0017 0.0179 -0.0017 282 GLU C CB 8627 C CG . GLU C 283 ? 0.3563 0.3220 0.3342 -0.0005 0.0197 -0.0011 282 GLU C CG 8628 C CD . GLU C 283 ? 0.4421 0.4026 0.4124 -0.0014 0.0207 -0.0018 282 GLU C CD 8629 O OE1 . GLU C 283 ? 0.5056 0.4719 0.4823 -0.0002 0.0204 -0.0030 282 GLU C OE1 8630 O OE2 . GLU C 283 ? 0.5145 0.4637 0.4712 -0.0034 0.0219 -0.0013 282 GLU C OE2 8631 N N . GLY C 284 ? 0.2741 0.2460 0.2635 -0.0018 0.0222 -0.0011 283 GLY C N 8632 C CA . GLY C 284 ? 0.2859 0.2551 0.2742 -0.0056 0.0276 -0.0025 283 GLY C CA 8633 C C . GLY C 284 ? 0.2879 0.2606 0.2821 -0.0053 0.0265 -0.0022 283 GLY C C 8634 O O . GLY C 284 ? 0.2773 0.2475 0.2705 -0.0089 0.0309 -0.0035 283 GLY C O 8635 N N . LEU C 285 ? 0.2625 0.2407 0.2624 -0.0015 0.0212 -0.0010 284 LEU C N 8636 C CA . LEU C 285 ? 0.2705 0.2505 0.2742 -0.0011 0.0198 -0.0007 284 LEU C CA 8637 C C . LEU C 285 ? 0.2800 0.2681 0.2944 -0.0030 0.0232 -0.0033 284 LEU C C 8638 O O . LEU C 285 ? 0.2764 0.2624 0.2905 -0.0053 0.0252 -0.0039 284 LEU C O 8639 C CB . LEU C 285 ? 0.2631 0.2482 0.2714 0.0030 0.0140 0.0004 284 LEU C CB 8640 C CG . LEU C 285 ? 0.2688 0.2476 0.2689 0.0055 0.0095 0.0021 284 LEU C CG 8641 C CD1 . LEU C 285 ? 0.2546 0.2413 0.2619 0.0091 0.0050 0.0022 284 LEU C CD1 8642 C CD2 . LEU C 285 ? 0.3021 0.2696 0.2918 0.0050 0.0090 0.0032 284 LEU C CD2 8643 N N . VAL C 286 ? 0.2861 0.2830 0.3097 -0.0018 0.0233 -0.0049 285 VAL C N 8644 C CA . VAL C 286 ? 0.2973 0.3026 0.3320 -0.0026 0.0253 -0.0078 285 VAL C CA 8645 C C . VAL C 286 ? 0.3377 0.3433 0.3736 -0.0058 0.0311 -0.0109 285 VAL C C 8646 O O . VAL C 286 ? 0.3584 0.3633 0.3923 -0.0053 0.0321 -0.0112 285 VAL C O 8647 C CB . VAL C 286 ? 0.2892 0.3027 0.3324 0.0010 0.0213 -0.0080 285 VAL C CB 8648 C CG1 . VAL C 286 ? 0.2949 0.3165 0.3492 0.0009 0.0225 -0.0115 285 VAL C CG1 8649 C CG2 . VAL C 286 ? 0.2906 0.3044 0.3333 0.0031 0.0169 -0.0058 285 VAL C CG2 8650 N N . GLU C 287 ? 0.3737 0.3801 0.4124 -0.0096 0.0354 -0.0134 286 GLU C N 8651 C CA . GLU C 287 ? 0.4301 0.4372 0.4702 -0.0135 0.0421 -0.0172 286 GLU C CA 8652 C C . GLU C 287 ? 0.4313 0.4498 0.4849 -0.0109 0.0418 -0.0208 286 GLU C C 8653 O O . GLU C 287 ? 0.3605 0.3879 0.4255 -0.0088 0.0389 -0.0227 286 GLU C O 8654 C CB . GLU C 287 ? 0.4697 0.4750 0.5098 -0.0190 0.0472 -0.0194 286 GLU C CB 8655 C CG . GLU C 287 ? 0.5716 0.5695 0.6033 -0.0248 0.0550 -0.0213 286 GLU C CG 8656 C CD . GLU C 287 ? 0.6136 0.6204 0.6552 -0.0257 0.0597 -0.0264 286 GLU C CD 8657 O OE1 . GLU C 287 ? 0.6258 0.6456 0.6836 -0.0239 0.0587 -0.0303 286 GLU C OE1 8658 O OE2 . GLU C 287 ? 0.6740 0.6744 0.7070 -0.0280 0.0641 -0.0268 286 GLU C OE2 8659 N N . ALA C 288 ? 0.4683 0.4854 0.5195 -0.0109 0.0444 -0.0219 287 ALA C N 8660 C CA . ALA C 288 ? 0.4846 0.5098 0.5458 -0.0076 0.0435 -0.0250 287 ALA C CA 8661 C C . ALA C 288 ? 0.4977 0.5346 0.5748 -0.0073 0.0444 -0.0304 287 ALA C C 8662 O O . ALA C 288 ? 0.5359 0.5794 0.6218 -0.0026 0.0396 -0.0315 287 ALA C O 8663 C CB . ALA C 288 ? 0.5004 0.5212 0.5556 -0.0093 0.0482 -0.0264 287 ALA C CB 8664 N N . THR C 289 ? 0.4327 0.4716 0.5130 -0.0124 0.0504 -0.0340 288 THR C N 8665 C CA . THR C 289 ? 0.4326 0.4838 0.5294 -0.0126 0.0520 -0.0405 288 THR C CA 8666 C C . THR C 289 ? 0.4342 0.4896 0.5370 -0.0143 0.0505 -0.0413 288 THR C C 8667 O O . THR C 289 ? 0.4676 0.5342 0.5854 -0.0129 0.0491 -0.0463 288 THR C O 8668 C CB . THR C 289 ? 0.4596 0.5131 0.5594 -0.0179 0.0615 -0.0463 288 THR C CB 8669 O OG1 . THR C 289 ? 0.4550 0.4991 0.5430 -0.0249 0.0675 -0.0448 288 THR C OG1 8670 C CG2 . THR C 289 ? 0.4684 0.5189 0.5638 -0.0161 0.0632 -0.0466 288 THR C CG2 8671 N N . MET C 290 ? 0.3670 0.4132 0.4584 -0.0171 0.0505 -0.0368 289 MET C N 8672 C CA . MET C 290 ? 0.3444 0.3925 0.4394 -0.0198 0.0502 -0.0377 289 MET C CA 8673 C C . MET C 290 ? 0.3028 0.3573 0.4056 -0.0144 0.0420 -0.0369 289 MET C C 8674 O O . MET C 290 ? 0.2845 0.3344 0.3806 -0.0103 0.0365 -0.0319 289 MET C O 8675 C CB . MET C 290 ? 0.3718 0.4064 0.4507 -0.0234 0.0517 -0.0329 289 MET C CB 8676 C CG . MET C 290 ? 0.4194 0.4535 0.4997 -0.0273 0.0527 -0.0339 289 MET C CG 8677 S SD . MET C 290 ? 0.5063 0.5224 0.5659 -0.0294 0.0525 -0.0275 289 MET C SD 8678 C CE . MET C 290 ? 0.5035 0.5201 0.5668 -0.0344 0.0543 -0.0301 289 MET C CE 8679 N N . PRO C 291 ? 0.2729 0.3380 0.3898 -0.0147 0.0412 -0.0421 290 PRO C N 8680 C CA . PRO C 291 ? 0.2514 0.3215 0.3745 -0.0097 0.0332 -0.0416 290 PRO C CA 8681 C C . PRO C 291 ? 0.2350 0.2986 0.3501 -0.0111 0.0310 -0.0376 290 PRO C C 8682 O O . PRO C 291 ? 0.2352 0.2915 0.3420 -0.0161 0.0358 -0.0362 290 PRO C O 8683 C CB . PRO C 291 ? 0.2487 0.3317 0.3890 -0.0104 0.0337 -0.0493 290 PRO C CB 8684 C CG . PRO C 291 ? 0.2693 0.3522 0.4101 -0.0182 0.0429 -0.0527 290 PRO C CG 8685 C CD . PRO C 291 ? 0.2775 0.3496 0.4042 -0.0203 0.0479 -0.0488 290 PRO C CD 8686 N N . PRO C 292 ? 0.2198 0.2850 0.3363 -0.0068 0.0240 -0.0360 291 PRO C N 8687 C CA . PRO C 292 ? 0.2123 0.2709 0.3206 -0.0078 0.0221 -0.0323 291 PRO C CA 8688 C C . PRO C 292 ? 0.2096 0.2708 0.3230 -0.0125 0.0245 -0.0359 291 PRO C C 8689 O O . PRO C 292 ? 0.2195 0.2735 0.3250 -0.0149 0.0252 -0.0334 291 PRO C O 8690 C CB . PRO C 292 ? 0.2089 0.2687 0.3174 -0.0022 0.0145 -0.0302 291 PRO C CB 8691 C CG . PRO C 292 ? 0.2181 0.2866 0.3378 0.0009 0.0118 -0.0344 291 PRO C CG 8692 C CD . PRO C 292 ? 0.2150 0.2845 0.3363 -0.0006 0.0173 -0.0361 291 PRO C CD 8693 N N . GLY C 293 ? 0.1994 0.2710 0.3266 -0.0139 0.0255 -0.0422 292 GLY C N 8694 C CA . GLY C 293 ? 0.1958 0.2710 0.3292 -0.0191 0.0283 -0.0464 292 GLY C CA 8695 C C . GLY C 293 ? 0.1965 0.2738 0.3327 -0.0172 0.0219 -0.0467 292 GLY C C 8696 O O . GLY C 293 ? 0.2030 0.2791 0.3393 -0.0218 0.0237 -0.0484 292 GLY C O 8697 N N . VAL C 294 ? 0.1811 0.2605 0.3184 -0.0107 0.0145 -0.0451 293 VAL C N 8698 C CA . VAL C 294 ? 0.1732 0.2544 0.3125 -0.0082 0.0077 -0.0457 293 VAL C CA 8699 C C . VAL C 294 ? 0.1672 0.2560 0.3154 -0.0023 0.0009 -0.0483 293 VAL C C 8700 O O . VAL C 294 ? 0.1564 0.2469 0.3066 0.0005 0.0011 -0.0484 293 VAL C O 8701 C CB . VAL C 294 ? 0.1766 0.2475 0.3018 -0.0062 0.0049 -0.0392 293 VAL C CB 8702 C CG1 . VAL C 294 ? 0.1891 0.2512 0.3047 -0.0109 0.0106 -0.0365 293 VAL C CG1 8703 C CG2 . VAL C 294 ? 0.1773 0.2447 0.2962 -0.0012 0.0022 -0.0350 293 VAL C CG2 8704 N N . GLN C 295 ? 0.1606 0.2528 0.3132 -0.0003 -0.0054 -0.0507 294 GLN C N 8705 C CA . GLN C 295 ? 0.1663 0.2628 0.3242 0.0059 -0.0134 -0.0526 294 GLN C CA 8706 C C . GLN C 295 ? 0.1679 0.2554 0.3133 0.0103 -0.0159 -0.0464 294 GLN C C 8707 O O . GLN C 295 ? 0.1629 0.2419 0.2962 0.0098 -0.0160 -0.0412 294 GLN C O 8708 C CB . GLN C 295 ? 0.1840 0.2821 0.3441 0.0072 -0.0204 -0.0549 294 GLN C CB 8709 C CG . GLN C 295 ? 0.1991 0.3002 0.3637 0.0142 -0.0296 -0.0572 294 GLN C CG 8710 C CD . GLN C 295 ? 0.2191 0.3203 0.3839 0.0156 -0.0372 -0.0592 294 GLN C CD 8711 O OE1 . GLN C 295 ? 0.2445 0.3366 0.3967 0.0184 -0.0423 -0.0549 294 GLN C OE1 8712 N NE2 . GLN C 295 ? 0.2317 0.3429 0.4101 0.0130 -0.0374 -0.0659 294 GLN C NE2 8713 N N . LEU C 296 ? 0.1600 0.2496 0.3089 0.0143 -0.0175 -0.0472 295 LEU C N 8714 C CA . LEU C 296 ? 0.1703 0.2516 0.3079 0.0175 -0.0187 -0.0418 295 LEU C CA 8715 C C . LEU C 296 ? 0.1758 0.2562 0.3138 0.0239 -0.0271 -0.0427 295 LEU C C 8716 O O . LEU C 296 ? 0.1834 0.2716 0.3335 0.0268 -0.0301 -0.0483 295 LEU C O 8717 C CB . LEU C 296 ? 0.1784 0.2601 0.3167 0.0158 -0.0120 -0.0413 295 LEU C CB 8718 C CG . LEU C 296 ? 0.2078 0.2822 0.3364 0.0187 -0.0127 -0.0367 295 LEU C CG 8719 C CD1 . LEU C 296 ? 0.2123 0.2776 0.3271 0.0172 -0.0119 -0.0305 295 LEU C CD1 8720 C CD2 . LEU C 296 ? 0.2186 0.2952 0.3505 0.0173 -0.0066 -0.0379 295 LEU C CD2 8721 N N . HIS C 297 ? 0.1691 0.2397 0.2938 0.0260 -0.0310 -0.0377 296 HIS C N 8722 C CA . HIS C 297 ? 0.1802 0.2458 0.3005 0.0316 -0.0387 -0.0374 296 HIS C CA 8723 C C . HIS C 297 ? 0.1908 0.2485 0.3007 0.0321 -0.0362 -0.0325 296 HIS C C 8724 O O . HIS C 297 ? 0.1920 0.2428 0.2906 0.0297 -0.0338 -0.0276 296 HIS C O 8725 C CB . HIS C 297 ? 0.1874 0.2465 0.2986 0.0327 -0.0449 -0.0357 296 HIS C CB 8726 C CG . HIS C 297 ? 0.1906 0.2569 0.3110 0.0318 -0.0476 -0.0404 296 HIS C CG 8727 N ND1 . HIS C 297 ? 0.1964 0.2659 0.3233 0.0362 -0.0560 -0.0450 296 HIS C ND1 8728 C CD2 . HIS C 297 ? 0.1944 0.2647 0.3182 0.0269 -0.0434 -0.0414 296 HIS C CD2 8729 C CE1 . HIS C 297 ? 0.2004 0.2769 0.3355 0.0339 -0.0567 -0.0490 296 HIS C CE1 8730 N NE2 . HIS C 297 ? 0.1907 0.2675 0.3239 0.0280 -0.0487 -0.0468 296 HIS C NE2 8731 N N . CYS C 298 ? 0.2031 0.2624 0.3177 0.0352 -0.0368 -0.0343 297 CYS C N 8732 C CA A CYS C 298 ? 0.2179 0.2703 0.3240 0.0355 -0.0342 -0.0305 297 CYS C CA 8733 C CA B CYS C 298 ? 0.2191 0.2717 0.3253 0.0354 -0.0341 -0.0305 297 CYS C CA 8734 C C . CYS C 298 ? 0.2167 0.2595 0.3133 0.0402 -0.0412 -0.0287 297 CYS C C 8735 O O . CYS C 298 ? 0.2136 0.2575 0.3157 0.0451 -0.0464 -0.0322 297 CYS C O 8736 C CB A CYS C 298 ? 0.2305 0.2896 0.3465 0.0357 -0.0299 -0.0338 297 CYS C CB 8737 C CB B CYS C 298 ? 0.2316 0.2914 0.3481 0.0351 -0.0291 -0.0338 297 CYS C CB 8738 S SG A CYS C 298 ? 0.2674 0.3321 0.3872 0.0291 -0.0200 -0.0337 297 CYS C SG 8739 S SG B CYS C 298 ? 0.2871 0.3398 0.3948 0.0349 -0.0252 -0.0299 297 CYS C SG 8740 N N . LEU C 299 ? 0.2034 0.2363 0.2855 0.0385 -0.0415 -0.0235 298 LEU C N 8741 C CA . LEU C 299 ? 0.2147 0.2357 0.2844 0.0416 -0.0476 -0.0213 298 LEU C CA 8742 C C . LEU C 299 ? 0.2156 0.2299 0.2773 0.0405 -0.0440 -0.0178 298 LEU C C 8743 O O . LEU C 299 ? 0.1989 0.2130 0.2565 0.0361 -0.0380 -0.0148 298 LEU C O 8744 C CB . LEU C 299 ? 0.2232 0.2369 0.2812 0.0399 -0.0500 -0.0185 298 LEU C CB 8745 C CG . LEU C 299 ? 0.2468 0.2620 0.3081 0.0427 -0.0571 -0.0218 298 LEU C CG 8746 C CD1 . LEU C 299 ? 0.2437 0.2729 0.3212 0.0413 -0.0546 -0.0260 298 LEU C CD1 8747 C CD2 . LEU C 299 ? 0.2655 0.2711 0.3122 0.0407 -0.0592 -0.0186 298 LEU C CD2 8748 N N . TYR C 300 ? 0.2229 0.2317 0.2826 0.0448 -0.0481 -0.0187 299 TYR C N 8749 C CA . TYR C 300 ? 0.2262 0.2295 0.2799 0.0438 -0.0448 -0.0163 299 TYR C CA 8750 C C . TYR C 300 ? 0.2401 0.2293 0.2812 0.0474 -0.0512 -0.0149 299 TYR C C 8751 O O . TYR C 300 ? 0.2426 0.2293 0.2855 0.0529 -0.0587 -0.0177 299 TYR C O 8752 C CB . TYR C 300 ? 0.2387 0.2513 0.3052 0.0448 -0.0408 -0.0197 299 TYR C CB 8753 C CG . TYR C 300 ? 0.2411 0.2583 0.3185 0.0507 -0.0459 -0.0252 299 TYR C CG 8754 C CD1 . TYR C 300 ? 0.2581 0.2867 0.3494 0.0517 -0.0469 -0.0299 299 TYR C CD1 8755 C CD2 . TYR C 300 ? 0.2660 0.2764 0.3406 0.0555 -0.0499 -0.0263 299 TYR C CD2 8756 C CE1 . TYR C 300 ? 0.2639 0.2983 0.3671 0.0575 -0.0521 -0.0360 299 TYR C CE1 8757 C CE2 . TYR C 300 ? 0.2778 0.2930 0.3636 0.0618 -0.0553 -0.0321 299 TYR C CE2 8758 C CZ . TYR C 300 ? 0.2885 0.3165 0.3893 0.0628 -0.0563 -0.0372 299 TYR C CZ 8759 O OH . TYR C 300 ? 0.3324 0.3667 0.4462 0.0693 -0.0617 -0.0439 299 TYR C OH 8760 N N . GLY C 301 ? 0.2342 0.2136 0.2622 0.0441 -0.0485 -0.0107 300 GLY C N 8761 C CA . GLY C 301 ? 0.2569 0.2206 0.2704 0.0463 -0.0537 -0.0088 300 GLY C CA 8762 C C . GLY C 301 ? 0.2634 0.2247 0.2796 0.0501 -0.0548 -0.0106 300 GLY C C 8763 O O . GLY C 301 ? 0.2567 0.2260 0.2813 0.0484 -0.0490 -0.0115 300 GLY C O 8764 N N . THR C 302 ? 0.2846 0.2335 0.2924 0.0552 -0.0625 -0.0111 301 THR C N 8765 C CA . THR C 302 ? 0.2977 0.2408 0.3049 0.0592 -0.0644 -0.0125 301 THR C CA 8766 C C . THR C 302 ? 0.3199 0.2417 0.3060 0.0597 -0.0692 -0.0091 301 THR C C 8767 O O . THR C 302 ? 0.3286 0.2406 0.3012 0.0573 -0.0714 -0.0061 301 THR C O 8768 C CB . THR C 302 ? 0.3093 0.2597 0.3310 0.0673 -0.0704 -0.0186 301 THR C CB 8769 O OG1 . THR C 302 ? 0.3216 0.2650 0.3381 0.0721 -0.0798 -0.0195 301 THR C OG1 8770 C CG2 . THR C 302 ? 0.3007 0.2713 0.3425 0.0661 -0.0649 -0.0224 301 THR C CG2 8771 N N . GLY C 303 ? 0.3373 0.2511 0.3197 0.0623 -0.0703 -0.0095 302 GLY C N 8772 C CA . GLY C 303 ? 0.3598 0.2513 0.3215 0.0634 -0.0755 -0.0067 302 GLY C CA 8773 C C . GLY C 303 ? 0.3692 0.2505 0.3148 0.0547 -0.0693 -0.0016 302 GLY C C 8774 O O . GLY C 303 ? 0.3830 0.2445 0.3088 0.0538 -0.0727 0.0011 302 GLY C O 8775 N N . VAL C 304 ? 0.3335 0.2277 0.2869 0.0483 -0.0604 -0.0007 303 VAL C N 8776 C CA . VAL C 304 ? 0.3431 0.2308 0.2846 0.0399 -0.0541 0.0030 303 VAL C CA 8777 C C . VAL C 304 ? 0.3272 0.2207 0.2755 0.0380 -0.0486 0.0023 303 VAL C C 8778 O O . VAL C 304 ? 0.3063 0.2159 0.2709 0.0390 -0.0453 0.0000 303 VAL C O 8779 C CB . VAL C 304 ? 0.3368 0.2350 0.2819 0.0340 -0.0487 0.0044 303 VAL C CB 8780 C CG1 . VAL C 304 ? 0.3478 0.2403 0.2819 0.0255 -0.0422 0.0073 303 VAL C CG1 8781 C CG2 . VAL C 304 ? 0.3504 0.2447 0.2904 0.0361 -0.0539 0.0046 303 VAL C CG2 8782 N N . PRO C 305 ? 0.3383 0.2177 0.2733 0.0351 -0.0477 0.0041 304 PRO C N 8783 C CA . PRO C 305 ? 0.3247 0.2095 0.2659 0.0334 -0.0429 0.0031 304 PRO C CA 8784 C C . PRO C 305 ? 0.2969 0.1980 0.2486 0.0276 -0.0353 0.0033 304 PRO C C 8785 O O . PRO C 305 ? 0.2943 0.1957 0.2409 0.0217 -0.0320 0.0054 304 PRO C O 8786 C CB . PRO C 305 ? 0.3516 0.2172 0.2740 0.0294 -0.0428 0.0055 304 PRO C CB 8787 C CG . PRO C 305 ? 0.3758 0.2243 0.2835 0.0326 -0.0499 0.0068 304 PRO C CG 8788 C CD . PRO C 305 ? 0.3644 0.2220 0.2774 0.0327 -0.0505 0.0070 304 PRO C CD 8789 N N . THR C 306 ? 0.2739 0.1883 0.2403 0.0298 -0.0330 0.0008 305 THR C N 8790 C CA . THR C 306 ? 0.2629 0.1924 0.2397 0.0258 -0.0270 0.0007 305 THR C CA 8791 C C . THR C 306 ? 0.2609 0.1931 0.2406 0.0240 -0.0231 -0.0001 305 THR C C 8792 O O . THR C 306 ? 0.2554 0.1875 0.2394 0.0284 -0.0244 -0.0025 305 THR C O 8793 C CB . THR C 306 ? 0.2512 0.1941 0.2422 0.0299 -0.0277 -0.0016 305 THR C CB 8794 O OG1 . THR C 306 ? 0.2552 0.1944 0.2430 0.0322 -0.0325 -0.0012 305 THR C OG1 8795 C CG2 . THR C 306 ? 0.2374 0.1933 0.2368 0.0258 -0.0222 -0.0013 305 THR C CG2 8796 N N . PRO C 307 ? 0.2683 0.2025 0.2453 0.0177 -0.0187 0.0013 306 PRO C N 8797 C CA . PRO C 307 ? 0.2775 0.2141 0.2567 0.0159 -0.0155 0.0004 306 PRO C CA 8798 C C . PRO C 307 ? 0.2774 0.2246 0.2688 0.0197 -0.0143 -0.0021 306 PRO C C 8799 O O . PRO C 307 ? 0.2393 0.1970 0.2393 0.0202 -0.0130 -0.0025 306 PRO C O 8800 C CB . PRO C 307 ? 0.2841 0.2260 0.2627 0.0092 -0.0115 0.0017 306 PRO C CB 8801 C CG . PRO C 307 ? 0.2969 0.2331 0.2678 0.0066 -0.0123 0.0035 306 PRO C CG 8802 C CD . PRO C 307 ? 0.2897 0.2264 0.2637 0.0122 -0.0162 0.0032 306 PRO C CD 8803 N N . ASP C 308 ? 0.2864 0.2296 0.2774 0.0220 -0.0144 -0.0039 307 ASP C N 8804 C CA . ASP C 308 ? 0.3256 0.2766 0.3264 0.0254 -0.0128 -0.0070 307 ASP C CA 8805 C C . ASP C 308 ? 0.2907 0.2428 0.2903 0.0222 -0.0090 -0.0075 307 ASP C C 8806 O O . ASP C 308 ? 0.2769 0.2371 0.2834 0.0223 -0.0059 -0.0090 307 ASP C O 8807 C CB . ASP C 308 ? 0.4013 0.3464 0.4028 0.0318 -0.0166 -0.0097 307 ASP C CB 8808 C CG . ASP C 308 ? 0.5038 0.4545 0.5135 0.0347 -0.0141 -0.0136 307 ASP C CG 8809 O OD1 . ASP C 308 ? 0.5979 0.5590 0.6187 0.0370 -0.0129 -0.0161 307 ASP C OD1 8810 O OD2 . ASP C 308 ? 0.5609 0.5056 0.5658 0.0342 -0.0128 -0.0145 307 ASP C OD2 8811 N N . SER C 309 ? 0.2686 0.2116 0.2588 0.0190 -0.0092 -0.0063 308 SER C N 8812 C CA . SER C 309 ? 0.2596 0.2025 0.2477 0.0159 -0.0064 -0.0069 308 SER C CA 8813 C C . SER C 309 ? 0.2582 0.1921 0.2361 0.0110 -0.0068 -0.0052 308 SER C C 8814 O O . SER C 309 ? 0.2534 0.1789 0.2245 0.0105 -0.0091 -0.0037 308 SER C O 8815 C CB . SER C 309 ? 0.2787 0.2192 0.2684 0.0198 -0.0058 -0.0100 308 SER C CB 8816 O OG . SER C 309 ? 0.3008 0.2313 0.2861 0.0237 -0.0092 -0.0109 308 SER C OG 8817 N N . PHE C 310 ? 0.2483 0.1836 0.2247 0.0071 -0.0046 -0.0056 309 PHE C N 8818 C CA . PHE C 310 ? 0.2565 0.1870 0.2257 0.0010 -0.0042 -0.0046 309 PHE C CA 8819 C C . PHE C 310 ? 0.2744 0.1995 0.2391 -0.0005 -0.0035 -0.0062 309 PHE C C 8820 O O . PHE C 310 ? 0.2850 0.2152 0.2536 0.0008 -0.0023 -0.0077 309 PHE C O 8821 C CB . PHE C 310 ? 0.2486 0.1897 0.2229 -0.0028 -0.0027 -0.0038 309 PHE C CB 8822 C CG . PHE C 310 ? 0.2459 0.1929 0.2251 -0.0012 -0.0031 -0.0025 309 PHE C CG 8823 C CD1 . PHE C 310 ? 0.2547 0.1965 0.2287 -0.0033 -0.0038 -0.0010 309 PHE C CD1 8824 C CD2 . PHE C 310 ? 0.2435 0.1997 0.2310 0.0021 -0.0026 -0.0029 309 PHE C CD2 8825 C CE1 . PHE C 310 ? 0.2602 0.2067 0.2378 -0.0018 -0.0043 0.0000 309 PHE C CE1 8826 C CE2 . PHE C 310 ? 0.2413 0.2024 0.2330 0.0036 -0.0031 -0.0019 309 PHE C CE2 8827 C CZ . PHE C 310 ? 0.2407 0.1971 0.2276 0.0017 -0.0041 -0.0005 309 PHE C CZ 8828 N N . TYR C 311 ? 0.2953 0.2096 0.2507 -0.0040 -0.0041 -0.0059 310 TYR C N 8829 C CA . TYR C 311 ? 0.3237 0.2322 0.2737 -0.0067 -0.0035 -0.0074 310 TYR C CA 8830 C C . TYR C 311 ? 0.3237 0.2342 0.2716 -0.0145 -0.0024 -0.0073 310 TYR C C 8831 O O . TYR C 311 ? 0.3255 0.2304 0.2680 -0.0184 -0.0022 -0.0061 310 TYR C O 8832 C CB . TYR C 311 ? 0.3639 0.2569 0.3044 -0.0047 -0.0052 -0.0079 310 TYR C CB 8833 C CG . TYR C 311 ? 0.4209 0.3087 0.3569 -0.0066 -0.0045 -0.0100 310 TYR C CG 8834 C CD1 . TYR C 311 ? 0.4788 0.3621 0.4085 -0.0138 -0.0037 -0.0102 310 TYR C CD1 8835 C CD2 . TYR C 311 ? 0.4545 0.3431 0.3933 -0.0017 -0.0041 -0.0122 310 TYR C CD2 8836 C CE1 . TYR C 311 ? 0.5174 0.3963 0.4430 -0.0155 -0.0033 -0.0123 310 TYR C CE1 8837 C CE2 . TYR C 311 ? 0.5058 0.3895 0.4398 -0.0034 -0.0033 -0.0143 310 TYR C CE2 8838 C CZ . TYR C 311 ? 0.5314 0.4101 0.4587 -0.0102 -0.0032 -0.0142 310 TYR C CZ 8839 O OH . TYR C 311 ? 0.6051 0.4788 0.5276 -0.0117 -0.0027 -0.0165 310 TYR C OH 8840 N N . TYR C 312 ? 0.3199 0.2378 0.2716 -0.0168 -0.0016 -0.0088 311 TYR C N 8841 C CA . TYR C 312 ? 0.3461 0.2680 0.2981 -0.0238 -0.0009 -0.0098 311 TYR C CA 8842 C C . TYR C 312 ? 0.3903 0.3040 0.3353 -0.0273 -0.0011 -0.0117 311 TYR C C 8843 O O . TYR C 312 ? 0.4286 0.3421 0.3734 -0.0250 -0.0017 -0.0131 311 TYR C O 8844 C CB . TYR C 312 ? 0.3273 0.2635 0.2888 -0.0237 -0.0011 -0.0106 311 TYR C CB 8845 C CG . TYR C 312 ? 0.2974 0.2428 0.2660 -0.0222 -0.0007 -0.0092 311 TYR C CG 8846 C CD1 . TYR C 312 ? 0.2917 0.2396 0.2639 -0.0163 -0.0009 -0.0078 311 TYR C CD1 8847 C CD2 . TYR C 312 ? 0.2924 0.2446 0.2648 -0.0269 0.0000 -0.0098 311 TYR C CD2 8848 C CE1 . TYR C 312 ? 0.2741 0.2300 0.2525 -0.0151 -0.0007 -0.0066 311 TYR C CE1 8849 C CE2 . TYR C 312 ? 0.2750 0.2354 0.2538 -0.0255 0.0004 -0.0088 311 TYR C CE2 8850 C CZ . TYR C 312 ? 0.2735 0.2353 0.2549 -0.0195 0.0000 -0.0071 311 TYR C CZ 8851 O OH . TYR C 312 ? 0.2692 0.2385 0.2563 -0.0184 0.0003 -0.0062 311 TYR C OH 8852 N N . GLU C 313 ? 0.4380 0.3438 0.3762 -0.0333 -0.0003 -0.0120 312 GLU C N 8853 C CA . GLU C 313 ? 0.4958 0.3944 0.4276 -0.0380 -0.0003 -0.0142 312 GLU C CA 8854 C C . GLU C 313 ? 0.4845 0.3955 0.4237 -0.0425 -0.0005 -0.0168 312 GLU C C 8855 O O . GLU C 313 ? 0.4896 0.3987 0.4265 -0.0441 -0.0015 -0.0190 312 GLU C O 8856 C CB . GLU C 313 ? 0.5564 0.4411 0.4774 -0.0436 0.0008 -0.0137 312 GLU C CB 8857 C CG . GLU C 313 ? 0.6532 0.5234 0.5655 -0.0381 -0.0003 -0.0115 312 GLU C CG 8858 C CD . GLU C 313 ? 0.7341 0.5888 0.6338 -0.0428 0.0004 -0.0101 312 GLU C CD 8859 O OE1 . GLU C 313 ? 0.7962 0.6489 0.6921 -0.0516 0.0027 -0.0113 312 GLU C OE1 8860 O OE2 . GLU C 313 ? 0.7913 0.6351 0.6844 -0.0378 -0.0013 -0.0081 312 GLU C OE2 8861 N N . SER C 314 ? 0.4732 0.3967 0.4212 -0.0440 0.0000 -0.0168 313 SER C N 8862 C CA . SER C 314 ? 0.4855 0.4226 0.4425 -0.0467 -0.0010 -0.0196 313 SER C CA 8863 C C . SER C 314 ? 0.4376 0.3871 0.4044 -0.0420 -0.0017 -0.0185 313 SER C C 8864 O O . SER C 314 ? 0.4776 0.4303 0.4472 -0.0426 0.0000 -0.0172 313 SER C O 8865 C CB . SER C 314 ? 0.5104 0.4498 0.4686 -0.0555 0.0008 -0.0222 313 SER C CB 8866 O OG . SER C 314 ? 0.5636 0.5184 0.5330 -0.0573 -0.0005 -0.0256 313 SER C OG 8867 N N . PHE C 315 ? 0.4009 0.3560 0.3713 -0.0376 -0.0041 -0.0189 314 PHE C N 8868 C CA . PHE C 315 ? 0.3748 0.3387 0.3521 -0.0325 -0.0049 -0.0174 314 PHE C CA 8869 C C . PHE C 315 ? 0.3775 0.3532 0.3627 -0.0332 -0.0077 -0.0200 314 PHE C C 8870 O O . PHE C 315 ? 0.3872 0.3622 0.3706 -0.0346 -0.0101 -0.0223 314 PHE C O 8871 C CB . PHE C 315 ? 0.3585 0.3168 0.3316 -0.0266 -0.0053 -0.0158 314 PHE C CB 8872 C CG . PHE C 315 ? 0.3223 0.2874 0.3007 -0.0216 -0.0057 -0.0143 314 PHE C CG 8873 C CD1 . PHE C 315 ? 0.3091 0.2752 0.2901 -0.0190 -0.0040 -0.0120 314 PHE C CD1 8874 C CD2 . PHE C 315 ? 0.3182 0.2869 0.2974 -0.0195 -0.0079 -0.0151 314 PHE C CD2 8875 C CE1 . PHE C 315 ? 0.2974 0.2691 0.2828 -0.0149 -0.0041 -0.0108 314 PHE C CE1 8876 C CE2 . PHE C 315 ? 0.3049 0.2779 0.2872 -0.0153 -0.0080 -0.0136 314 PHE C CE2 8877 C CZ . PHE C 315 ? 0.2933 0.2682 0.2792 -0.0132 -0.0059 -0.0115 314 PHE C CZ 8878 N N . PRO C 316 ? 0.3720 0.3580 0.3656 -0.0320 -0.0079 -0.0200 315 PRO C N 8879 C CA . PRO C 316 ? 0.3845 0.3717 0.3803 -0.0302 -0.0055 -0.0175 315 PRO C CA 8880 C C . PRO C 316 ? 0.4141 0.4062 0.4141 -0.0356 -0.0029 -0.0190 315 PRO C C 8881 O O . PRO C 316 ? 0.4291 0.4237 0.4315 -0.0342 -0.0013 -0.0174 315 PRO C O 8882 C CB . PRO C 316 ? 0.3712 0.3667 0.3733 -0.0253 -0.0077 -0.0171 315 PRO C CB 8883 C CG . PRO C 316 ? 0.3714 0.3745 0.3785 -0.0270 -0.0111 -0.0208 315 PRO C CG 8884 C CD . PRO C 316 ? 0.3779 0.3741 0.3787 -0.0305 -0.0117 -0.0224 315 PRO C CD 8885 N N . ASP C 317 ? 0.4295 0.4232 0.4304 -0.0419 -0.0024 -0.0223 316 ASP C N 8886 C CA . ASP C 317 ? 0.4774 0.4785 0.4842 -0.0475 0.0004 -0.0247 316 ASP C CA 8887 C C . ASP C 317 ? 0.5258 0.5163 0.5238 -0.0532 0.0048 -0.0236 316 ASP C C 8888 O O . ASP C 317 ? 0.5752 0.5702 0.5762 -0.0597 0.0081 -0.0263 316 ASP C O 8889 C CB . ASP C 317 ? 0.5024 0.5146 0.5181 -0.0518 -0.0011 -0.0303 316 ASP C CB 8890 C CG . ASP C 317 ? 0.5197 0.5436 0.5452 -0.0463 -0.0059 -0.0321 316 ASP C CG 8891 O OD1 . ASP C 317 ? 0.4953 0.5214 0.5227 -0.0405 -0.0066 -0.0295 316 ASP C OD1 8892 O OD2 . ASP C 317 ? 0.5757 0.6061 0.6064 -0.0477 -0.0093 -0.0362 316 ASP C OD2 8893 N N . ARG C 318 ? 0.4884 0.4647 0.4753 -0.0510 0.0049 -0.0200 317 ARG C N 8894 C CA . ARG C 318 ? 0.5276 0.4909 0.5037 -0.0552 0.0081 -0.0183 317 ARG C CA 8895 C C . ARG C 318 ? 0.4800 0.4360 0.4510 -0.0487 0.0074 -0.0139 317 ARG C C 8896 O O . ARG C 318 ? 0.4490 0.4061 0.4221 -0.0419 0.0048 -0.0125 317 ARG C O 8897 C CB . ARG C 318 ? 0.6055 0.5562 0.5718 -0.0585 0.0079 -0.0188 317 ARG C CB 8898 C CG . ARG C 318 ? 0.7058 0.6603 0.6743 -0.0672 0.0096 -0.0232 317 ARG C CG 8899 C CD . ARG C 318 ? 0.7993 0.7406 0.7563 -0.0749 0.0136 -0.0229 317 ARG C CD 8900 N NE . ARG C 318 ? 0.8908 0.8135 0.8338 -0.0724 0.0122 -0.0199 317 ARG C NE 8901 C CZ . ARG C 318 ? 0.9491 0.8645 0.8870 -0.0734 0.0107 -0.0210 317 ARG C CZ 8902 N NH1 . ARG C 318 ? 0.9659 0.8905 0.9109 -0.0775 0.0101 -0.0252 317 ARG C NH1 8903 N NH2 . ARG C 318 ? 0.9776 0.8759 0.9031 -0.0702 0.0094 -0.0184 317 ARG C NH2 8904 N N . ASP C 319 ? 0.4576 0.4058 0.4215 -0.0512 0.0098 -0.0122 318 ASP C N 8905 C CA . ASP C 319 ? 0.4406 0.3822 0.4001 -0.0452 0.0085 -0.0086 318 ASP C CA 8906 C C . ASP C 319 ? 0.3983 0.3272 0.3498 -0.0405 0.0059 -0.0068 318 ASP C C 8907 O O . ASP C 319 ? 0.4030 0.3216 0.3464 -0.0438 0.0061 -0.0074 318 ASP C O 8908 C CB . ASP C 319 ? 0.4920 0.4257 0.4431 -0.0494 0.0112 -0.0073 318 ASP C CB 8909 C CG . ASP C 319 ? 0.5300 0.4767 0.4897 -0.0525 0.0140 -0.0090 318 ASP C CG 8910 O OD1 . ASP C 319 ? 0.5421 0.5034 0.5143 -0.0487 0.0129 -0.0102 318 ASP C OD1 8911 O OD2 . ASP C 319 ? 0.5590 0.5001 0.5117 -0.0589 0.0177 -0.0093 318 ASP C OD2 8912 N N . PRO C 320 ? 0.3359 0.2660 0.2904 -0.0327 0.0035 -0.0050 319 PRO C N 8913 C CA . PRO C 320 ? 0.3265 0.2466 0.2756 -0.0277 0.0012 -0.0043 319 PRO C CA 8914 C C . PRO C 320 ? 0.3372 0.2420 0.2751 -0.0260 0.0000 -0.0022 319 PRO C C 8915 O O . PRO C 320 ? 0.3386 0.2408 0.2729 -0.0279 0.0005 -0.0008 319 PRO C O 8916 C CB . PRO C 320 ? 0.3128 0.2429 0.2715 -0.0207 -0.0001 -0.0040 319 PRO C CB 8917 C CG . PRO C 320 ? 0.3010 0.2396 0.2653 -0.0209 0.0006 -0.0031 319 PRO C CG 8918 C CD . PRO C 320 ? 0.3130 0.2549 0.2771 -0.0284 0.0030 -0.0044 319 PRO C CD 8919 N N . LYS C 321 ? 0.3369 0.2311 0.2691 -0.0221 -0.0022 -0.0023 320 LYS C N 8920 C CA . LYS C 321 ? 0.3489 0.2296 0.2727 -0.0173 -0.0051 -0.0007 320 LYS C CA 8921 C C . LYS C 321 ? 0.3281 0.2176 0.2616 -0.0096 -0.0071 -0.0006 320 LYS C C 8922 O O . LYS C 321 ? 0.3026 0.2044 0.2466 -0.0073 -0.0062 -0.0019 320 LYS C O 8923 C CB . LYS C 321 ? 0.3748 0.2421 0.2907 -0.0150 -0.0070 -0.0017 320 LYS C CB 8924 C CG . LYS C 321 ? 0.4079 0.2672 0.3155 -0.0225 -0.0050 -0.0026 320 LYS C CG 8925 C CD . LYS C 321 ? 0.4346 0.2872 0.3331 -0.0307 -0.0028 -0.0014 320 LYS C CD 8926 C CE . LYS C 321 ? 0.4654 0.3145 0.3594 -0.0388 -0.0001 -0.0032 320 LYS C CE 8927 N NZ . LYS C 321 ? 0.4994 0.3417 0.3845 -0.0477 0.0029 -0.0026 320 LYS C NZ 8928 N N . ILE C 322 ? 0.3157 0.1987 0.2451 -0.0058 -0.0099 0.0008 321 ILE C N 8929 C CA . ILE C 322 ? 0.3068 0.1995 0.2461 0.0002 -0.0115 0.0007 321 ILE C CA 8930 C C . ILE C 322 ? 0.3164 0.2012 0.2543 0.0081 -0.0160 0.0000 321 ILE C C 8931 O O . ILE C 322 ? 0.3213 0.1902 0.2471 0.0091 -0.0192 0.0008 321 ILE C O 8932 C CB . ILE C 322 ? 0.3121 0.2083 0.2511 -0.0021 -0.0111 0.0025 321 ILE C CB 8933 C CG1 . ILE C 322 ? 0.3179 0.2235 0.2603 -0.0095 -0.0067 0.0025 321 ILE C CG1 8934 C CG2 . ILE C 322 ? 0.3092 0.2158 0.2589 0.0037 -0.0128 0.0022 321 ILE C CG2 8935 C CD1 . ILE C 322 ? 0.3406 0.2494 0.2824 -0.0124 -0.0055 0.0037 321 ILE C CD1 8936 N N . CYS C 323 ? 0.3044 0.2001 0.2544 0.0136 -0.0162 -0.0021 322 CYS C N 8937 C CA A CYS C 323 ? 0.3123 0.2053 0.2654 0.0217 -0.0203 -0.0039 322 CYS C CA 8938 C CA B CYS C 323 ? 0.3117 0.2048 0.2649 0.0218 -0.0203 -0.0039 322 CYS C CA 8939 C C . CYS C 323 ? 0.3037 0.2056 0.2644 0.0244 -0.0219 -0.0035 322 CYS C C 8940 O O . CYS C 323 ? 0.2922 0.2077 0.2619 0.0222 -0.0186 -0.0033 322 CYS C O 8941 C CB A CYS C 323 ? 0.3183 0.2179 0.2803 0.0254 -0.0187 -0.0073 322 CYS C CB 8942 C CB B CYS C 323 ? 0.3167 0.2170 0.2795 0.0258 -0.0188 -0.0074 322 CYS C CB 8943 S SG A CYS C 323 ? 0.3431 0.2411 0.3115 0.0357 -0.0233 -0.0112 322 CYS C SG 8944 S SG B CYS C 323 ? 0.3467 0.2344 0.3007 0.0254 -0.0185 -0.0089 322 CYS C SG 8945 N N . PHE C 324 ? 0.3073 0.2011 0.2640 0.0294 -0.0272 -0.0035 323 PHE C N 8946 C CA . PHE C 324 ? 0.3075 0.2078 0.2694 0.0316 -0.0294 -0.0031 323 PHE C CA 8947 C C . PHE C 324 ? 0.3046 0.2113 0.2780 0.0397 -0.0329 -0.0068 323 PHE C C 8948 O O . PHE C 324 ? 0.3216 0.2208 0.2937 0.0451 -0.0365 -0.0092 323 PHE C O 8949 C CB . PHE C 324 ? 0.3191 0.2045 0.2663 0.0305 -0.0335 -0.0003 323 PHE C CB 8950 C CG . PHE C 324 ? 0.3237 0.2038 0.2601 0.0217 -0.0294 0.0028 323 PHE C CG 8951 C CD1 . PHE C 324 ? 0.3197 0.2095 0.2598 0.0171 -0.0261 0.0041 323 PHE C CD1 8952 C CD2 . PHE C 324 ? 0.3449 0.2109 0.2683 0.0178 -0.0286 0.0038 323 PHE C CD2 8953 C CE1 . PHE C 324 ? 0.3282 0.2151 0.2605 0.0090 -0.0220 0.0060 323 PHE C CE1 8954 C CE2 . PHE C 324 ? 0.3537 0.2164 0.2688 0.0090 -0.0243 0.0059 323 PHE C CE2 8955 C CZ . PHE C 324 ? 0.3445 0.2182 0.2645 0.0047 -0.0209 0.0068 323 PHE C CZ 8956 N N . GLY C 325 ? 0.2915 0.2118 0.2763 0.0404 -0.0320 -0.0076 324 GLY C N 8957 C CA . GLY C 325 ? 0.2939 0.2213 0.2903 0.0475 -0.0356 -0.0115 324 GLY C CA 8958 C C . GLY C 325 ? 0.3001 0.2282 0.2960 0.0484 -0.0395 -0.0103 324 GLY C C 8959 O O . GLY C 325 ? 0.2920 0.2116 0.2759 0.0445 -0.0402 -0.0065 324 GLY C O 8960 N N . ASP C 326 ? 0.2890 0.2275 0.2980 0.0533 -0.0418 -0.0139 325 ASP C N 8961 C CA . ASP C 326 ? 0.2923 0.2314 0.3013 0.0550 -0.0464 -0.0134 325 ASP C CA 8962 C C . ASP C 326 ? 0.2689 0.2205 0.2842 0.0495 -0.0410 -0.0119 325 ASP C C 8963 O O . ASP C 326 ? 0.2570 0.2180 0.2792 0.0460 -0.0346 -0.0123 325 ASP C O 8964 C CB . ASP C 326 ? 0.3153 0.2596 0.3359 0.0631 -0.0522 -0.0188 325 ASP C CB 8965 C CG . ASP C 326 ? 0.3435 0.2823 0.3596 0.0666 -0.0600 -0.0184 325 ASP C CG 8966 O OD1 . ASP C 326 ? 0.3534 0.2848 0.3573 0.0623 -0.0603 -0.0140 325 ASP C OD1 8967 O OD2 . ASP C 326 ? 0.3805 0.3221 0.4053 0.0739 -0.0662 -0.0231 325 ASP C OD2 8968 N N . GLY C 327 ? 0.2636 0.2131 0.2744 0.0488 -0.0440 -0.0101 326 GLY C N 8969 C CA . GLY C 327 ? 0.2520 0.2108 0.2665 0.0440 -0.0398 -0.0086 326 GLY C CA 8970 C C . GLY C 327 ? 0.2594 0.2085 0.2605 0.0414 -0.0422 -0.0051 326 GLY C C 8971 O O . GLY C 327 ? 0.2665 0.2032 0.2576 0.0446 -0.0486 -0.0046 326 GLY C O 8972 N N . ASP C 328 ? 0.2503 0.2042 0.2505 0.0356 -0.0372 -0.0028 327 ASP C N 8973 C CA . ASP C 328 ? 0.2662 0.2130 0.2550 0.0323 -0.0381 -0.0001 327 ASP C CA 8974 C C . ASP C 328 ? 0.2705 0.2102 0.2479 0.0259 -0.0335 0.0029 327 ASP C C 8975 O O . ASP C 328 ? 0.2765 0.2126 0.2458 0.0219 -0.0321 0.0047 327 ASP C O 8976 C CB . ASP C 328 ? 0.2526 0.2107 0.2498 0.0312 -0.0365 -0.0007 327 ASP C CB 8977 C CG . ASP C 328 ? 0.2581 0.2271 0.2626 0.0267 -0.0294 -0.0003 327 ASP C CG 8978 O OD1 . ASP C 328 ? 0.2622 0.2303 0.2648 0.0238 -0.0256 0.0006 327 ASP C OD1 8979 O OD2 . ASP C 328 ? 0.2516 0.2297 0.2635 0.0259 -0.0279 -0.0011 327 ASP C OD2 8980 N N . GLY C 329 ? 0.2743 0.2117 0.2508 0.0249 -0.0312 0.0030 328 GLY C N 8981 C CA . GLY C 329 ? 0.2808 0.2131 0.2485 0.0184 -0.0266 0.0051 328 GLY C CA 8982 C C . GLY C 329 ? 0.2830 0.2282 0.2606 0.0150 -0.0208 0.0045 328 GLY C C 8983 O O . GLY C 329 ? 0.2867 0.2298 0.2608 0.0111 -0.0176 0.0051 328 GLY C O 8984 N N . THR C 330 ? 0.2658 0.2237 0.2556 0.0167 -0.0197 0.0032 329 THR C N 8985 C CA . THR C 330 ? 0.2739 0.2432 0.2725 0.0142 -0.0150 0.0027 329 THR C CA 8986 C C . THR C 330 ? 0.2542 0.2321 0.2643 0.0180 -0.0149 0.0006 329 THR C C 8987 O O . THR C 330 ? 0.2685 0.2493 0.2820 0.0176 -0.0125 0.0000 329 THR C O 8988 C CB . THR C 330 ? 0.2842 0.2594 0.2842 0.0112 -0.0128 0.0033 329 THR C CB 8989 O OG1 . THR C 330 ? 0.3205 0.2883 0.3099 0.0068 -0.0116 0.0047 329 THR C OG1 8990 C CG2 . THR C 330 ? 0.2946 0.2804 0.3031 0.0096 -0.0090 0.0027 329 THR C CG2 8991 N N . VAL C 331 ? 0.2367 0.2184 0.2525 0.0214 -0.0173 -0.0006 330 VAL C N 8992 C CA . VAL C 331 ? 0.2190 0.2091 0.2461 0.0243 -0.0167 -0.0032 330 VAL C CA 8993 C C . VAL C 331 ? 0.2234 0.2097 0.2520 0.0289 -0.0199 -0.0055 330 VAL C C 8994 O O . VAL C 331 ? 0.2235 0.2040 0.2489 0.0322 -0.0250 -0.0060 330 VAL C O 8995 C CB . VAL C 331 ? 0.2210 0.2178 0.2545 0.0252 -0.0177 -0.0042 330 VAL C CB 8996 C CG1 . VAL C 331 ? 0.2184 0.2237 0.2637 0.0275 -0.0166 -0.0075 330 VAL C CG1 8997 C CG2 . VAL C 331 ? 0.2190 0.2193 0.2512 0.0211 -0.0145 -0.0024 330 VAL C CG2 8998 N N . ASN C 332 ? 0.2261 0.2154 0.2592 0.0293 -0.0171 -0.0071 331 ASN C N 8999 C CA . ASN C 332 ? 0.2366 0.2236 0.2726 0.0337 -0.0193 -0.0100 331 ASN C CA 9000 C C . ASN C 332 ? 0.2401 0.2345 0.2872 0.0378 -0.0216 -0.0137 331 ASN C C 9001 O O . ASN C 332 ? 0.2267 0.2304 0.2814 0.0362 -0.0189 -0.0146 331 ASN C O 9002 C CB . ASN C 332 ? 0.2331 0.2224 0.2715 0.0325 -0.0147 -0.0112 331 ASN C CB 9003 C CG . ASN C 332 ? 0.2443 0.2273 0.2727 0.0282 -0.0127 -0.0080 331 ASN C CG 9004 O OD1 . ASN C 332 ? 0.2348 0.2220 0.2630 0.0241 -0.0095 -0.0063 331 ASN C OD1 9005 N ND2 . ASN C 332 ? 0.2430 0.2161 0.2637 0.0291 -0.0149 -0.0076 331 ASN C ND2 9006 N N . LEU C 333 ? 0.2487 0.2389 0.2966 0.0432 -0.0269 -0.0162 332 LEU C N 9007 C CA . LEU C 333 ? 0.2587 0.2567 0.3186 0.0477 -0.0301 -0.0207 332 LEU C CA 9008 C C . LEU C 333 ? 0.2703 0.2815 0.3440 0.0466 -0.0243 -0.0246 332 LEU C C 9009 O O . LEU C 333 ? 0.2773 0.2975 0.3606 0.0467 -0.0243 -0.0272 332 LEU C O 9010 C CB . LEU C 333 ? 0.2747 0.2663 0.3344 0.0545 -0.0366 -0.0236 332 LEU C CB 9011 C CG . LEU C 333 ? 0.2823 0.2822 0.3553 0.0601 -0.0413 -0.0292 332 LEU C CG 9012 C CD1 . LEU C 333 ? 0.2957 0.2976 0.3682 0.0591 -0.0444 -0.0278 332 LEU C CD1 9013 C CD2 . LEU C 333 ? 0.2977 0.2888 0.3683 0.0675 -0.0489 -0.0318 332 LEU C CD2 9014 N N . LYS C 334 ? 0.2772 0.2889 0.3511 0.0450 -0.0193 -0.0252 333 LYS C N 9015 C CA . LYS C 334 ? 0.3115 0.3338 0.3963 0.0433 -0.0132 -0.0291 333 LYS C CA 9016 C C . LYS C 334 ? 0.2648 0.2931 0.3511 0.0380 -0.0089 -0.0272 333 LYS C C 9017 O O . LYS C 334 ? 0.2424 0.2796 0.3385 0.0369 -0.0053 -0.0308 333 LYS C O 9018 C CB . LYS C 334 ? 0.3894 0.4091 0.4716 0.0422 -0.0086 -0.0298 333 LYS C CB 9019 C CG . LYS C 334 ? 0.4744 0.4900 0.5582 0.0481 -0.0124 -0.0333 333 LYS C CG 9020 C CD . LYS C 334 ? 0.5702 0.5828 0.6509 0.0469 -0.0077 -0.0343 333 LYS C CD 9021 C CE . LYS C 334 ? 0.6351 0.6584 0.7276 0.0461 -0.0014 -0.0398 333 LYS C CE 9022 N NZ . LYS C 334 ? 0.7303 0.7509 0.8157 0.0410 0.0051 -0.0381 333 LYS C NZ 9023 N N A SER C 335 ? 0.3231 0.3473 0.4012 0.0354 -0.0102 -0.0224 334 SER C N 9024 N N B SER C 335 ? 0.2033 0.2258 0.2790 0.0344 -0.0082 -0.0219 334 SER C N 9025 C CA A SER C 335 ? 0.3218 0.3520 0.4032 0.0321 -0.0080 -0.0217 334 SER C CA 9026 C CA B SER C 335 ? 0.1653 0.1908 0.2396 0.0299 -0.0047 -0.0195 334 SER C CA 9027 C C A SER C 335 ? 0.3526 0.3910 0.4455 0.0341 -0.0102 -0.0260 334 SER C C 9028 C C B SER C 335 ? 0.1451 0.1752 0.2247 0.0306 -0.0075 -0.0204 334 SER C C 9029 O O A SER C 335 ? 0.3402 0.3855 0.4394 0.0311 -0.0062 -0.0276 334 SER C O 9030 O O B SER C 335 ? 0.1339 0.1705 0.2196 0.0284 -0.0044 -0.0219 334 SER C O 9031 C CB A SER C 335 ? 0.3466 0.3714 0.4182 0.0297 -0.0095 -0.0167 334 SER C CB 9032 C CB B SER C 335 ? 0.1586 0.1772 0.2214 0.0271 -0.0050 -0.0144 334 SER C CB 9033 O OG A SER C 335 ? 0.3775 0.3981 0.4415 0.0268 -0.0063 -0.0138 334 SER C OG 9034 O OG B SER C 335 ? 0.1411 0.1623 0.2027 0.0233 -0.0015 -0.0125 334 SER C OG 9035 N N A ALA C 336 ? 0.3335 0.3707 0.4287 0.0390 -0.0167 -0.0279 335 ALA C N 9036 N N B ALA C 336 ? 0.1362 0.1617 0.2123 0.0336 -0.0134 -0.0194 335 ALA C N 9037 C CA A ALA C 336 ? 0.3847 0.4297 0.4910 0.0413 -0.0199 -0.0323 335 ALA C CA 9038 C CA B ALA C 336 ? 0.1301 0.1584 0.2097 0.0349 -0.0173 -0.0203 335 ALA C CA 9039 C C A ALA C 336 ? 0.3900 0.4464 0.5113 0.0412 -0.0156 -0.0387 335 ALA C C 9040 C C B ALA C 336 ? 0.1225 0.1608 0.2163 0.0367 -0.0171 -0.0260 335 ALA C C 9041 O O A ALA C 336 ? 0.4097 0.4747 0.5411 0.0407 -0.0157 -0.0424 335 ALA C O 9042 O O B ALA C 336 ? 0.1120 0.1562 0.2113 0.0353 -0.0168 -0.0272 335 ALA C O 9043 C CB A ALA C 336 ? 0.4055 0.4453 0.5101 0.0474 -0.0288 -0.0332 335 ALA C CB 9044 C CB B ALA C 336 ? 0.1388 0.1584 0.2108 0.0383 -0.0242 -0.0189 335 ALA C CB 9045 N N A LEU C 337 ? 0.4120 0.4684 0.5345 0.0414 -0.0116 -0.0405 336 LEU C N 9046 N N B LEU C 337 ? 0.1219 0.1627 0.2221 0.0396 -0.0166 -0.0300 336 LEU C N 9047 C CA A LEU C 337 ? 0.4333 0.5002 0.5693 0.0407 -0.0063 -0.0471 336 LEU C CA 9048 C CA B LEU C 337 ? 0.1229 0.1740 0.2383 0.0421 -0.0171 -0.0366 336 LEU C CA 9049 C C A LEU C 337 ? 0.4017 0.4733 0.5391 0.0338 0.0007 -0.0466 336 LEU C C 9050 C C B LEU C 337 ? 0.1201 0.1801 0.2435 0.0373 -0.0090 -0.0394 336 LEU C C 9051 O O A LEU C 337 ? 0.3811 0.4626 0.5306 0.0320 0.0049 -0.0524 336 LEU C O 9052 O O B LEU C 337 ? 0.1157 0.1853 0.2526 0.0382 -0.0076 -0.0456 336 LEU C O 9053 C CB A LEU C 337 ? 0.4696 0.5342 0.6046 0.0416 -0.0025 -0.0487 336 LEU C CB 9054 C CB B LEU C 337 ? 0.1272 0.1776 0.2471 0.0479 -0.0202 -0.0406 336 LEU C CB 9055 C CG A LEU C 337 ? 0.4942 0.5557 0.6314 0.0490 -0.0089 -0.0516 336 LEU C CG 9056 C CG B LEU C 337 ? 0.1353 0.1779 0.2504 0.0540 -0.0298 -0.0402 336 LEU C CG 9057 C CD1 A LEU C 337 ? 0.5015 0.5582 0.6341 0.0491 -0.0048 -0.0519 336 LEU C CD1 9058 C CD1 B LEU C 337 ? 0.1417 0.1832 0.2616 0.0601 -0.0327 -0.0446 336 LEU C CD1 9059 C CD2 A LEU C 337 ? 0.4953 0.5683 0.6501 0.0536 -0.0120 -0.0597 336 LEU C CD2 9060 C CD2 B LEU C 337 ? 0.1349 0.1826 0.2564 0.0559 -0.0353 -0.0424 336 LEU C CD2 9061 N N A GLN C 338 ? 0.3711 0.4356 0.4961 0.0300 0.0023 -0.0402 337 GLN C N 9062 N N B GLN C 338 ? 0.1235 0.1799 0.2386 0.0322 -0.0038 -0.0351 337 GLN C N 9063 C CA A GLN C 338 ? 0.3601 0.4267 0.4844 0.0241 0.0082 -0.0394 337 GLN C CA 9064 C CA B GLN C 338 ? 0.1295 0.1910 0.2485 0.0272 0.0037 -0.0370 337 GLN C CA 9065 C C A GLN C 338 ? 0.3276 0.4011 0.4606 0.0236 0.0060 -0.0421 337 GLN C C 9066 C C B GLN C 338 ? 0.1377 0.2077 0.2667 0.0253 0.0043 -0.0404 337 GLN C C 9067 O O A GLN C 338 ? 0.3255 0.4059 0.4664 0.0199 0.0111 -0.0461 337 GLN C O 9068 O O B GLN C 338 ? 0.1327 0.2085 0.2683 0.0216 0.0105 -0.0442 337 GLN C O 9069 C CB A GLN C 338 ? 0.3876 0.4451 0.4975 0.0211 0.0091 -0.0325 337 GLN C CB 9070 C CB B GLN C 338 ? 0.1284 0.1826 0.2349 0.0229 0.0076 -0.0313 337 GLN C CB 9071 C CG A GLN C 338 ? 0.4059 0.4637 0.5135 0.0155 0.0146 -0.0316 337 GLN C CG 9072 C CG B GLN C 338 ? 0.1277 0.1837 0.2342 0.0174 0.0150 -0.0322 337 GLN C CG 9073 C CD A GLN C 338 ? 0.4507 0.5084 0.5579 0.0118 0.0221 -0.0338 337 GLN C CD 9074 C CD B GLN C 338 ? 0.1295 0.1890 0.2414 0.0163 0.0207 -0.0370 337 GLN C CD 9075 O OE1 A GLN C 338 ? 0.4485 0.5070 0.5579 0.0134 0.0238 -0.0364 337 GLN C OE1 9076 O OE1 B GLN C 338 ? 0.1314 0.1901 0.2443 0.0195 0.0198 -0.0387 337 GLN C OE1 9077 N NE2 A GLN C 338 ? 0.4995 0.5549 0.6022 0.0068 0.0267 -0.0327 337 GLN C NE2 9078 N NE2 B GLN C 338 ? 0.1295 0.1920 0.2440 0.0113 0.0272 -0.0395 337 GLN C NE2 9079 N N A CYS C 339 ? 0.3173 0.3887 0.4483 0.0268 -0.0011 -0.0401 338 CYS C N 9080 N N B CYS C 339 ? 0.1564 0.2265 0.2858 0.0274 -0.0017 -0.0395 338 CYS C N 9081 C CA A CYS C 339 ? 0.3304 0.4087 0.4701 0.0265 -0.0036 -0.0433 338 CYS C CA 9082 C CA B CYS C 339 ? 0.1765 0.2544 0.3153 0.0256 -0.0019 -0.0430 338 CYS C CA 9083 C C A CYS C 339 ? 0.2756 0.3650 0.4317 0.0286 -0.0038 -0.0513 338 CYS C C 9084 C C B CYS C 339 ? 0.2038 0.2930 0.3595 0.0283 -0.0032 -0.0511 338 CYS C C 9085 O O A CYS C 339 ? 0.2728 0.3706 0.4389 0.0257 -0.0015 -0.0556 338 CYS C O 9086 O O B CYS C 339 ? 0.2052 0.3027 0.3708 0.0256 -0.0015 -0.0553 338 CYS C O 9087 C CB A CYS C 339 ? 0.3714 0.4450 0.5054 0.0295 -0.0115 -0.0402 338 CYS C CB 9088 C CB B CYS C 339 ? 0.1733 0.2476 0.3067 0.0267 -0.0080 -0.0397 338 CYS C CB 9089 S SG A CYS C 339 ? 0.4501 0.5136 0.5738 0.0350 -0.0182 -0.0366 338 CYS C SG 9090 S SG B CYS C 339 ? 0.1650 0.2276 0.2843 0.0307 -0.0146 -0.0338 338 CYS C SG 9091 N N . GLN C 340 ? 0.2577 0.3477 0.4176 0.0336 -0.0061 -0.0539 339 GLN C N 9092 C CA . GLN C 340 ? 0.2797 0.3815 0.4570 0.0362 -0.0064 -0.0626 339 GLN C CA 9093 C C . GLN C 340 ? 0.2816 0.3912 0.4666 0.0297 0.0041 -0.0668 339 GLN C C 9094 O O . GLN C 340 ? 0.2580 0.3794 0.4581 0.0284 0.0059 -0.0740 339 GLN C O 9095 C CB . GLN C 340 ? 0.3379 0.4375 0.5168 0.0432 -0.0108 -0.0647 339 GLN C CB 9096 C CG . GLN C 340 ? 0.3993 0.5119 0.5977 0.0470 -0.0118 -0.0745 339 GLN C CG 9097 C CD . GLN C 340 ? 0.4831 0.5920 0.6819 0.0545 -0.0165 -0.0765 339 GLN C CD 9098 O OE1 . GLN C 340 ? 0.5208 0.6233 0.7118 0.0536 -0.0121 -0.0741 339 GLN C OE1 9099 N NE2 . GLN C 340 ? 0.5228 0.6347 0.7300 0.0621 -0.0261 -0.0809 339 GLN C NE2 9100 N N . ALA C 341 ? 0.2689 0.3713 0.4428 0.0255 0.0109 -0.0627 340 ALA C N 9101 C CA . ALA C 341 ? 0.2663 0.3731 0.4438 0.0188 0.0213 -0.0662 340 ALA C CA 9102 C C . ALA C 341 ? 0.2482 0.3580 0.4273 0.0125 0.0248 -0.0665 340 ALA C C 9103 O O . ALA C 341 ? 0.2449 0.3623 0.4331 0.0075 0.0318 -0.0723 340 ALA C O 9104 C CB . ALA C 341 ? 0.2950 0.3911 0.4574 0.0161 0.0264 -0.0609 340 ALA C CB 9105 N N . TRP C 342 ? 0.2137 0.3177 0.3847 0.0127 0.0199 -0.0609 341 TRP C N 9106 C CA . TRP C 342 ? 0.2035 0.3090 0.3751 0.0073 0.0224 -0.0610 341 TRP C CA 9107 C C . TRP C 342 ? 0.2050 0.3235 0.3941 0.0075 0.0204 -0.0687 341 TRP C C 9108 O O . TRP C 342 ? 0.1940 0.3157 0.3865 0.0015 0.0249 -0.0710 341 TRP C O 9109 C CB . TRP C 342 ? 0.2064 0.3022 0.3647 0.0079 0.0176 -0.0535 341 TRP C CB 9110 C CG . TRP C 342 ? 0.2044 0.2887 0.3465 0.0061 0.0205 -0.0467 341 TRP C CG 9111 C CD1 . TRP C 342 ? 0.2082 0.2882 0.3443 0.0019 0.0280 -0.0461 341 TRP C CD1 9112 C CD2 . TRP C 342 ? 0.2009 0.2763 0.3307 0.0084 0.0159 -0.0398 341 TRP C CD2 9113 N NE1 . TRP C 342 ? 0.2085 0.2778 0.3297 0.0019 0.0273 -0.0393 341 TRP C NE1 9114 C CE2 . TRP C 342 ? 0.2053 0.2724 0.3235 0.0058 0.0202 -0.0357 341 TRP C CE2 9115 C CE3 . TRP C 342 ? 0.2083 0.2817 0.3356 0.0121 0.0085 -0.0372 341 TRP C CE3 9116 C CZ2 . TRP C 342 ? 0.2128 0.2716 0.3191 0.0071 0.0173 -0.0296 341 TRP C CZ2 9117 C CZ3 . TRP C 342 ? 0.2103 0.2749 0.3250 0.0128 0.0066 -0.0310 341 TRP C CZ3 9118 C CH2 . TRP C 342 ? 0.2094 0.2677 0.3148 0.0104 0.0109 -0.0276 341 TRP C CH2 9119 N N . GLN C 343 ? 0.2048 0.3299 0.4045 0.0143 0.0131 -0.0727 342 GLN C N 9120 C CA . GLN C 343 ? 0.2150 0.3531 0.4323 0.0156 0.0096 -0.0805 342 GLN C CA 9121 C C . GLN C 343 ? 0.2191 0.3684 0.4498 0.0088 0.0191 -0.0883 342 GLN C C 9122 O O . GLN C 343 ? 0.2160 0.3732 0.4564 0.0054 0.0193 -0.0928 342 GLN C O 9123 C CB . GLN C 343 ? 0.2261 0.3695 0.4532 0.0247 0.0009 -0.0848 342 GLN C CB 9124 C CG . GLN C 343 ? 0.2411 0.3736 0.4558 0.0310 -0.0092 -0.0782 342 GLN C CG 9125 C CD . GLN C 343 ? 0.2589 0.3930 0.4798 0.0402 -0.0187 -0.0815 342 GLN C CD 9126 O OE1 . GLN C 343 ? 0.2516 0.3914 0.4819 0.0434 -0.0175 -0.0868 342 GLN C OE1 9127 N NE2 . GLN C 343 ? 0.2918 0.4197 0.5060 0.0447 -0.0284 -0.0785 342 GLN C NE2 9128 N N . SER C 344 ? 0.2263 0.3762 0.4574 0.0065 0.0269 -0.0904 343 SER C N 9129 C CA . SER C 344 ? 0.2456 0.4062 0.4894 -0.0002 0.0368 -0.0986 343 SER C CA 9130 C C . SER C 344 ? 0.2558 0.4075 0.4864 -0.0102 0.0465 -0.0946 343 SER C C 9131 O O . SER C 344 ? 0.2488 0.4068 0.4867 -0.0176 0.0556 -0.1007 343 SER C O 9132 C CB . SER C 344 ? 0.2524 0.4190 0.5046 0.0020 0.0410 -0.1044 343 SER C CB 9133 O OG . SER C 344 ? 0.2718 0.4252 0.5065 0.0009 0.0452 -0.0977 343 SER C OG 9134 N N . ARG C 345 ? 0.2446 0.3814 0.4556 -0.0105 0.0445 -0.0848 344 ARG C N 9135 C CA . ARG C 345 ? 0.2692 0.3949 0.4652 -0.0187 0.0525 -0.0804 344 ARG C CA 9136 C C . ARG C 345 ? 0.2658 0.3875 0.4570 -0.0222 0.0506 -0.0775 344 ARG C C 9137 O O . ARG C 345 ? 0.2737 0.3856 0.4525 -0.0288 0.0566 -0.0742 344 ARG C O 9138 C CB . ARG C 345 ? 0.2990 0.4101 0.4758 -0.0168 0.0523 -0.0720 344 ARG C CB 9139 C CG . ARG C 345 ? 0.3232 0.4352 0.5008 -0.0157 0.0568 -0.0744 344 ARG C CG 9140 C CD . ARG C 345 ? 0.3511 0.4490 0.5102 -0.0134 0.0551 -0.0661 344 ARG C CD 9141 N NE . ARG C 345 ? 0.4052 0.5044 0.5662 -0.0099 0.0562 -0.0682 344 ARG C NE 9142 C CZ . ARG C 345 ? 0.4588 0.5502 0.6099 -0.0050 0.0517 -0.0629 344 ARG C CZ 9143 N NH1 . ARG C 345 ? 0.4771 0.5594 0.6161 -0.0031 0.0459 -0.0552 344 ARG C NH1 9144 N NH2 . ARG C 345 ? 0.4749 0.5678 0.6286 -0.0023 0.0533 -0.0658 344 ARG C NH2 9145 N N . GLN C 346 ? 0.2492 0.3770 0.4486 -0.0176 0.0420 -0.0785 345 GLN C N 9146 C CA . GLN C 346 ? 0.2447 0.3694 0.4405 -0.0209 0.0401 -0.0766 345 GLN C CA 9147 C C . GLN C 346 ? 0.2473 0.3864 0.4620 -0.0193 0.0354 -0.0842 345 GLN C C 9148 O O . GLN C 346 ? 0.2362 0.3852 0.4638 -0.0131 0.0302 -0.0888 345 GLN C O 9149 C CB . GLN C 346 ? 0.2321 0.3444 0.4120 -0.0167 0.0334 -0.0674 345 GLN C CB 9150 C CG . GLN C 346 ? 0.2130 0.3272 0.3951 -0.0077 0.0232 -0.0658 345 GLN C CG 9151 C CD . GLN C 346 ? 0.2093 0.3130 0.3774 -0.0052 0.0176 -0.0581 345 GLN C CD 9152 O OE1 . GLN C 346 ? 0.2047 0.2976 0.3585 -0.0067 0.0202 -0.0520 345 GLN C OE1 9153 N NE2 . GLN C 346 ? 0.2072 0.3138 0.3792 -0.0011 0.0095 -0.0588 345 GLN C NE2 9154 N N . GLU C 347 ? 0.2570 0.3968 0.4732 -0.0250 0.0370 -0.0858 346 GLU C N 9155 C CA . GLU C 347 ? 0.2806 0.4335 0.5139 -0.0244 0.0321 -0.0931 346 GLU C CA 9156 C C . GLU C 347 ? 0.2426 0.3934 0.4734 -0.0168 0.0199 -0.0896 346 GLU C C 9157 O O . GLU C 347 ? 0.2144 0.3760 0.4593 -0.0119 0.0126 -0.0952 346 GLU C O 9158 C CB . GLU C 347 ? 0.3434 0.4961 0.5773 -0.0344 0.0391 -0.0959 346 GLU C CB 9159 C CG . GLU C 347 ? 0.4493 0.6140 0.6989 -0.0354 0.0345 -0.1030 346 GLU C CG 9160 C CD . GLU C 347 ? 0.5749 0.7404 0.8268 -0.0468 0.0437 -0.1073 346 GLU C CD 9161 O OE1 . GLU C 347 ? 0.6783 0.8391 0.9245 -0.0541 0.0547 -0.1076 346 GLU C OE1 9162 O OE2 . GLU C 347 ? 0.6723 0.8426 0.9309 -0.0487 0.0398 -0.1107 346 GLU C OE2 9163 N N . HIS C 348 ? 0.2121 0.3487 0.4245 -0.0157 0.0177 -0.0806 347 HIS C N 9164 C CA A HIS C 348 ? 0.2100 0.3429 0.4175 -0.0089 0.0071 -0.0769 347 HIS C CA 9165 C CA B HIS C 348 ? 0.2062 0.3392 0.4138 -0.0089 0.0071 -0.0769 347 HIS C CA 9166 C C . HIS C 348 ? 0.1982 0.3337 0.4091 -0.0004 0.0004 -0.0770 347 HIS C C 9167 O O . HIS C 348 ? 0.1835 0.3179 0.3928 0.0007 0.0041 -0.0761 347 HIS C O 9168 C CB A HIS C 348 ? 0.2226 0.3402 0.4100 -0.0095 0.0072 -0.0677 347 HIS C CB 9169 C CB B HIS C 348 ? 0.2093 0.3271 0.3970 -0.0096 0.0072 -0.0678 347 HIS C CB 9170 C CG A HIS C 348 ? 0.2375 0.3506 0.4200 -0.0158 0.0104 -0.0670 347 HIS C CG 9171 C CG B HIS C 348 ? 0.2146 0.3292 0.3990 -0.0155 0.0093 -0.0679 347 HIS C CG 9172 N ND1 A HIS C 348 ? 0.2640 0.3738 0.4435 -0.0235 0.0198 -0.0676 347 HIS C ND1 9173 N ND1 B HIS C 348 ? 0.2184 0.3358 0.4066 -0.0141 0.0026 -0.0699 347 HIS C ND1 9174 C CD2 A HIS C 348 ? 0.2584 0.3686 0.4374 -0.0158 0.0056 -0.0659 347 HIS C CD2 9175 C CD2 B HIS C 348 ? 0.2265 0.3349 0.4043 -0.0229 0.0173 -0.0668 347 HIS C CD2 9176 C CE1 A HIS C 348 ? 0.2708 0.3755 0.4452 -0.0278 0.0205 -0.0669 347 HIS C CE1 9177 C CE1 B HIS C 348 ? 0.2228 0.3361 0.4070 -0.0204 0.0065 -0.0698 347 HIS C CE1 9178 N NE2 A HIS C 348 ? 0.2714 0.3767 0.4458 -0.0231 0.0120 -0.0659 347 HIS C NE2 9179 N NE2 B HIS C 348 ? 0.2312 0.3386 0.4088 -0.0258 0.0153 -0.0679 347 HIS C NE2 9180 N N . GLN C 349 ? 0.1977 0.3352 0.4116 0.0055 -0.0096 -0.0780 348 GLN C N 9181 C CA . GLN C 349 ? 0.2098 0.3482 0.4259 0.0139 -0.0171 -0.0784 348 GLN C CA 9182 C C . GLN C 349 ? 0.1968 0.3219 0.3955 0.0166 -0.0172 -0.0699 348 GLN C C 9183 O O . GLN C 349 ? 0.1759 0.2906 0.3598 0.0144 -0.0161 -0.0631 348 GLN C O 9184 C CB . GLN C 349 ? 0.2466 0.3863 0.4653 0.0195 -0.0286 -0.0802 348 GLN C CB 9185 C CG . GLN C 349 ? 0.3162 0.4697 0.5533 0.0183 -0.0312 -0.0893 348 GLN C CG 9186 C CD . GLN C 349 ? 0.3747 0.5264 0.6104 0.0244 -0.0438 -0.0899 348 GLN C CD 9187 O OE1 . GLN C 349 ? 0.4488 0.5988 0.6844 0.0323 -0.0520 -0.0904 348 GLN C OE1 9188 N NE2 . GLN C 349 ? 0.4213 0.5713 0.6538 0.0209 -0.0454 -0.0895 348 GLN C NE2 9189 N N . VAL C 350 ? 0.1794 0.3052 0.3803 0.0216 -0.0187 -0.0707 349 VAL C N 9190 C CA . VAL C 350 ? 0.1863 0.3004 0.3724 0.0251 -0.0205 -0.0636 349 VAL C CA 9191 C C . VAL C 350 ? 0.2125 0.3256 0.4002 0.0334 -0.0309 -0.0651 349 VAL C C 9192 O O . VAL C 350 ? 0.2240 0.3461 0.4256 0.0373 -0.0332 -0.0718 349 VAL C O 9193 C CB . VAL C 350 ? 0.1863 0.2995 0.3710 0.0233 -0.0127 -0.0629 349 VAL C CB 9194 C CG1 . VAL C 350 ? 0.1835 0.2852 0.3539 0.0271 -0.0153 -0.0563 349 VAL C CG1 9195 C CG2 . VAL C 350 ? 0.1769 0.2891 0.3583 0.0152 -0.0028 -0.0615 349 VAL C CG2 9196 N N . LEU C 351 ? 0.2071 0.3099 0.3815 0.0361 -0.0375 -0.0599 350 LEU C N 9197 C CA . LEU C 351 ? 0.2257 0.3242 0.3980 0.0437 -0.0480 -0.0606 350 LEU C CA 9198 C C . LEU C 351 ? 0.2417 0.3276 0.3987 0.0459 -0.0481 -0.0542 350 LEU C C 9199 O O . LEU C 351 ? 0.2314 0.3086 0.3746 0.0422 -0.0445 -0.0477 350 LEU C O 9200 C CB . LEU C 351 ? 0.2463 0.3404 0.4124 0.0448 -0.0556 -0.0595 350 LEU C CB 9201 C CG . LEU C 351 ? 0.2658 0.3710 0.4451 0.0420 -0.0562 -0.0654 350 LEU C CG 9202 C CD1 . LEU C 351 ? 0.2769 0.3817 0.4520 0.0341 -0.0476 -0.0624 350 LEU C CD1 9203 C CD2 . LEU C 351 ? 0.2963 0.3986 0.4730 0.0462 -0.0672 -0.0669 350 LEU C CD2 9204 N N . LEU C 352 ? 0.2404 0.3257 0.4005 0.0515 -0.0519 -0.0565 351 LEU C N 9205 C CA . LEU C 352 ? 0.2709 0.3435 0.4164 0.0537 -0.0527 -0.0510 351 LEU C CA 9206 C C . LEU C 352 ? 0.2751 0.3363 0.4094 0.0592 -0.0631 -0.0489 351 LEU C C 9207 O O . LEU C 352 ? 0.2944 0.3591 0.4366 0.0646 -0.0713 -0.0541 351 LEU C O 9208 C CB . LEU C 352 ? 0.2971 0.3736 0.4505 0.0563 -0.0499 -0.0543 351 LEU C CB 9209 C CG . LEU C 352 ? 0.3268 0.4041 0.4778 0.0502 -0.0390 -0.0515 351 LEU C CG 9210 C CD1 . LEU C 352 ? 0.3419 0.4309 0.5044 0.0445 -0.0318 -0.0551 351 LEU C CD1 9211 C CD2 . LEU C 352 ? 0.3693 0.4462 0.5230 0.0532 -0.0373 -0.0535 351 LEU C CD2 9212 N N . GLN C 353 ? 0.2406 0.2881 0.3564 0.0575 -0.0631 -0.0419 352 GLN C N 9213 C CA . GLN C 353 ? 0.2602 0.2942 0.3620 0.0619 -0.0723 -0.0395 352 GLN C CA 9214 C C . GLN C 353 ? 0.2569 0.2771 0.3432 0.0620 -0.0713 -0.0342 352 GLN C C 9215 O O . GLN C 353 ? 0.2391 0.2536 0.3143 0.0567 -0.0655 -0.0287 352 GLN C O 9216 C CB . GLN C 353 ? 0.2780 0.3072 0.3703 0.0589 -0.0743 -0.0366 352 GLN C CB 9217 C CG . GLN C 353 ? 0.3137 0.3267 0.3885 0.0626 -0.0833 -0.0338 352 GLN C CG 9218 C CD . GLN C 353 ? 0.3346 0.3479 0.4158 0.0705 -0.0942 -0.0392 352 GLN C CD 9219 O OE1 . GLN C 353 ? 0.3718 0.3951 0.4652 0.0720 -0.0980 -0.0442 352 GLN C OE1 9220 N NE2 . GLN C 353 ? 0.3537 0.3563 0.4272 0.0758 -0.0996 -0.0386 352 GLN C NE2 9221 N N . GLU C 354 ? 0.2549 0.2697 0.3405 0.0682 -0.0773 -0.0361 353 GLU C N 9222 C CA . GLU C 354 ? 0.2803 0.2799 0.3498 0.0689 -0.0779 -0.0315 353 GLU C CA 9223 C C . GLU C 354 ? 0.2915 0.2742 0.3400 0.0682 -0.0830 -0.0265 353 GLU C C 9224 O O . GLU C 354 ? 0.2911 0.2707 0.3374 0.0716 -0.0910 -0.0281 353 GLU C O 9225 C CB . GLU C 354 ? 0.3055 0.3030 0.3799 0.0765 -0.0837 -0.0356 353 GLU C CB 9226 C CG . GLU C 354 ? 0.3391 0.3221 0.3988 0.0763 -0.0825 -0.0313 353 GLU C CG 9227 C CD . GLU C 354 ? 0.3891 0.3667 0.4507 0.0845 -0.0896 -0.0351 353 GLU C CD 9228 O OE1 . GLU C 354 ? 0.4293 0.4165 0.5060 0.0906 -0.0952 -0.0417 353 GLU C OE1 9229 O OE2 . GLU C 354 ? 0.4044 0.3679 0.4523 0.0849 -0.0899 -0.0318 353 GLU C OE2 9230 N N . LEU C 355 ? 0.2863 0.2583 0.3196 0.0636 -0.0782 -0.0208 354 LEU C N 9231 C CA . LEU C 355 ? 0.3090 0.2636 0.3206 0.0616 -0.0811 -0.0160 354 LEU C CA 9232 C C . LEU C 355 ? 0.3229 0.2619 0.3204 0.0628 -0.0825 -0.0133 354 LEU C C 9233 O O . LEU C 355 ? 0.3093 0.2451 0.3001 0.0574 -0.0753 -0.0097 354 LEU C O 9234 C CB . LEU C 355 ? 0.3088 0.2653 0.3150 0.0537 -0.0730 -0.0121 354 LEU C CB 9235 C CG . LEU C 355 ? 0.3117 0.2828 0.3310 0.0517 -0.0705 -0.0144 354 LEU C CG 9236 C CD1 . LEU C 355 ? 0.3140 0.2871 0.3289 0.0444 -0.0620 -0.0109 354 LEU C CD1 9237 C CD2 . LEU C 355 ? 0.3293 0.2971 0.3459 0.0552 -0.0791 -0.0164 354 LEU C CD2 9238 N N . PRO C 356 ? 0.3459 0.2755 0.3395 0.0701 -0.0920 -0.0154 355 PRO C N 9239 C CA . PRO C 356 ? 0.3676 0.2819 0.3484 0.0716 -0.0933 -0.0132 355 PRO C CA 9240 C C . PRO C 356 ? 0.3802 0.2753 0.3362 0.0661 -0.0921 -0.0073 355 PRO C C 9241 O O . PRO C 356 ? 0.3891 0.2752 0.3333 0.0658 -0.0967 -0.0059 355 PRO C O 9242 C CB . PRO C 356 ? 0.3890 0.2974 0.3716 0.0816 -0.1050 -0.0174 355 PRO C CB 9243 C CG . PRO C 356 ? 0.3848 0.3072 0.3830 0.0852 -0.1095 -0.0222 355 PRO C CG 9244 C CD . PRO C 356 ? 0.3654 0.2975 0.3663 0.0776 -0.1022 -0.0202 355 PRO C CD 9245 N N . GLY C 357 ? 0.3841 0.2741 0.3330 0.0610 -0.0853 -0.0042 356 GLY C N 9246 C CA . GLY C 357 ? 0.4054 0.2783 0.3319 0.0545 -0.0825 0.0008 356 GLY C CA 9247 C C . GLY C 357 ? 0.3987 0.2793 0.3251 0.0465 -0.0743 0.0030 356 GLY C C 9248 O O . GLY C 357 ? 0.4362 0.3039 0.3449 0.0407 -0.0718 0.0064 356 GLY C O 9249 N N . SER C 358 ? 0.3651 0.2658 0.3107 0.0458 -0.0700 0.0007 357 SER C N 9250 C CA . SER C 358 ? 0.3576 0.2656 0.3038 0.0390 -0.0629 0.0023 357 SER C CA 9251 C C . SER C 358 ? 0.3357 0.2525 0.2883 0.0335 -0.0535 0.0034 357 SER C C 9252 O O . SER C 358 ? 0.3270 0.2570 0.2953 0.0350 -0.0509 0.0013 357 SER C O 9253 C CB . SER C 358 ? 0.3509 0.2733 0.3117 0.0413 -0.0645 -0.0005 357 SER C CB 9254 O OG . SER C 358 ? 0.3727 0.2999 0.3323 0.0356 -0.0589 0.0008 357 SER C OG 9255 N N . GLU C 359 ? 0.3354 0.2445 0.2752 0.0269 -0.0485 0.0063 358 GLU C N 9256 C CA . GLU C 359 ? 0.3315 0.2479 0.2762 0.0216 -0.0404 0.0070 358 GLU C CA 9257 C C . GLU C 359 ? 0.3027 0.2359 0.2609 0.0192 -0.0351 0.0059 358 GLU C C 9258 O O . GLU C 359 ? 0.2897 0.2255 0.2483 0.0192 -0.0361 0.0055 358 GLU C O 9259 C CB . GLU C 359 ? 0.3651 0.2676 0.2922 0.0152 -0.0369 0.0096 358 GLU C CB 9260 C CG . GLU C 359 ? 0.3863 0.2950 0.3174 0.0097 -0.0294 0.0099 358 GLU C CG 9261 C CD . GLU C 359 ? 0.4020 0.3230 0.3400 0.0048 -0.0230 0.0094 358 GLU C CD 9262 O OE1 . GLU C 359 ? 0.4206 0.3398 0.3533 0.0033 -0.0230 0.0096 358 GLU C OE1 9263 O OE2 . GLU C 359 ? 0.4127 0.3446 0.3609 0.0026 -0.0182 0.0086 358 GLU C OE2 9264 N N . HIS C 360 ? 0.2802 0.2233 0.2482 0.0173 -0.0299 0.0055 359 HIS C N 9265 C CA . HIS C 360 ? 0.2640 0.2222 0.2452 0.0160 -0.0255 0.0043 359 HIS C CA 9266 C C . HIS C 360 ? 0.2729 0.2332 0.2513 0.0124 -0.0229 0.0047 359 HIS C C 9267 O O . HIS C 360 ? 0.2626 0.2316 0.2495 0.0138 -0.0231 0.0035 359 HIS C O 9268 C CB . HIS C 360 ? 0.2549 0.2190 0.2414 0.0133 -0.0204 0.0044 359 HIS C CB 9269 C CG . HIS C 360 ? 0.2430 0.2209 0.2424 0.0130 -0.0170 0.0032 359 HIS C CG 9270 N ND1 . HIS C 360 ? 0.2346 0.2200 0.2448 0.0168 -0.0184 0.0015 359 HIS C ND1 9271 C CD2 . HIS C 360 ? 0.2370 0.2215 0.2396 0.0095 -0.0124 0.0033 359 HIS C CD2 9272 C CE1 . HIS C 360 ? 0.2239 0.2185 0.2417 0.0153 -0.0147 0.0010 359 HIS C CE1 9273 N NE2 . HIS C 360 ? 0.2319 0.2262 0.2456 0.0114 -0.0115 0.0020 359 HIS C NE2 9274 N N . ILE C 361 ? 0.2911 0.2442 0.2582 0.0074 -0.0199 0.0061 360 ILE C N 9275 C CA . ILE C 361 ? 0.3227 0.2776 0.2868 0.0037 -0.0167 0.0059 360 ILE C CA 9276 C C . ILE C 361 ? 0.3388 0.2830 0.2910 0.0046 -0.0210 0.0065 360 ILE C C 9277 O O . ILE C 361 ? 0.3308 0.2790 0.2850 0.0047 -0.0211 0.0056 360 ILE C O 9278 C CB . ILE C 361 ? 0.3607 0.3140 0.3189 -0.0027 -0.0106 0.0062 360 ILE C CB 9279 C CG1 . ILE C 361 ? 0.3844 0.3492 0.3550 -0.0033 -0.0070 0.0052 360 ILE C CG1 9280 C CG2 . ILE C 361 ? 0.3889 0.3438 0.3438 -0.0063 -0.0071 0.0053 360 ILE C CG2 9281 C CD1 . ILE C 361 ? 0.4338 0.3978 0.4004 -0.0094 -0.0017 0.0048 360 ILE C CD1 9282 N N . GLU C 362 ? 0.3567 0.2863 0.2957 0.0056 -0.0252 0.0079 361 GLU C N 9283 C CA . GLU C 362 ? 0.4012 0.3178 0.3260 0.0065 -0.0302 0.0087 361 GLU C CA 9284 C C . GLU C 362 ? 0.3710 0.2936 0.3046 0.0125 -0.0362 0.0070 361 GLU C C 9285 O O . GLU C 362 ? 0.3637 0.2804 0.2891 0.0126 -0.0392 0.0070 361 GLU C O 9286 C CB . GLU C 362 ? 0.4554 0.3536 0.3637 0.0072 -0.0345 0.0105 361 GLU C CB 9287 C CG . GLU C 362 ? 0.5381 0.4274 0.4337 -0.0002 -0.0281 0.0120 361 GLU C CG 9288 C CD . GLU C 362 ? 0.6190 0.4888 0.4975 -0.0001 -0.0318 0.0140 361 GLU C CD 9289 O OE1 . GLU C 362 ? 0.7022 0.5636 0.5769 0.0063 -0.0402 0.0143 361 GLU C OE1 9290 O OE2 . GLU C 362 ? 0.7087 0.5713 0.5776 -0.0066 -0.0264 0.0150 361 GLU C OE2 9291 N N . MET C 363 ? 0.3494 0.2841 0.2997 0.0167 -0.0375 0.0053 362 MET C N 9292 C CA . MET C 363 ? 0.3425 0.2843 0.3029 0.0217 -0.0427 0.0030 362 MET C CA 9293 C C . MET C 363 ? 0.3282 0.2765 0.2914 0.0195 -0.0403 0.0022 362 MET C C 9294 O O . MET C 363 ? 0.3027 0.2517 0.2677 0.0224 -0.0454 0.0006 362 MET C O 9295 C CB . MET C 363 ? 0.3606 0.3148 0.3387 0.0255 -0.0429 0.0008 362 MET C CB 9296 C CG . MET C 363 ? 0.3765 0.3449 0.3679 0.0230 -0.0361 0.0001 362 MET C CG 9297 S SD . MET C 363 ? 0.4133 0.3944 0.4236 0.0276 -0.0373 -0.0031 362 MET C SD 9298 C CE . MET C 363 ? 0.4076 0.3811 0.4140 0.0303 -0.0395 -0.0027 362 MET C CE 9299 N N . LEU C 364 ? 0.3144 0.2673 0.2780 0.0144 -0.0330 0.0029 363 LEU C N 9300 C CA . LEU C 364 ? 0.3294 0.2880 0.2954 0.0123 -0.0303 0.0019 363 LEU C CA 9301 C C . LEU C 364 ? 0.3450 0.2922 0.2953 0.0104 -0.0322 0.0024 363 LEU C C 9302 O O . LEU C 364 ? 0.3701 0.3213 0.3226 0.0099 -0.0317 0.0011 363 LEU C O 9303 C CB . LEU C 364 ? 0.3506 0.3172 0.3218 0.0080 -0.0224 0.0019 363 LEU C CB 9304 C CG . LEU C 364 ? 0.3496 0.3295 0.3371 0.0094 -0.0199 0.0008 363 LEU C CG 9305 C CD1 . LEU C 364 ? 0.3818 0.3676 0.3718 0.0056 -0.0133 0.0005 363 LEU C CD1 9306 C CD2 . LEU C 364 ? 0.3412 0.3285 0.3387 0.0124 -0.0224 -0.0009 363 LEU C CD2 9307 N N . ALA C 365 ? 0.3377 0.2700 0.2716 0.0090 -0.0340 0.0043 364 ALA C N 9308 C CA . ALA C 365 ? 0.3854 0.3039 0.3011 0.0067 -0.0356 0.0050 364 ALA C CA 9309 C C . ALA C 365 ? 0.4051 0.3099 0.3098 0.0113 -0.0452 0.0058 364 ALA C C 9310 O O . ALA C 365 ? 0.4509 0.3404 0.3369 0.0098 -0.0478 0.0069 364 ALA C O 9311 C CB . ALA C 365 ? 0.3936 0.3039 0.2960 -0.0001 -0.0286 0.0064 364 ALA C CB 9312 N N . ASN C 366 ? 0.3825 0.2927 0.2988 0.0172 -0.0506 0.0047 365 ASN C N 9313 C CA . ASN C 366 ? 0.3907 0.2888 0.2986 0.0227 -0.0603 0.0048 365 ASN C CA 9314 C C . ASN C 366 ? 0.3825 0.2828 0.2939 0.0271 -0.0678 0.0024 365 ASN C C 9315 O O . ASN C 366 ? 0.3502 0.2666 0.2794 0.0284 -0.0668 -0.0001 365 ASN C O 9316 C CB . ASN C 366 ? 0.3935 0.2975 0.3137 0.0269 -0.0619 0.0041 365 ASN C CB 9317 C CG . ASN C 366 ? 0.4333 0.3265 0.3478 0.0337 -0.0723 0.0034 365 ASN C CG 9318 O OD1 . ASN C 366 ? 0.4600 0.3541 0.3776 0.0386 -0.0800 0.0011 365 ASN C OD1 9319 N ND2 . ASN C 366 ? 0.4377 0.3205 0.3442 0.0344 -0.0730 0.0051 365 ASN C ND2 9320 N N . ALA C 367 ? 0.3901 0.2733 0.2834 0.0290 -0.0754 0.0032 366 ALA C N 9321 C CA . ALA C 367 ? 0.4010 0.2837 0.2942 0.0328 -0.0834 0.0009 366 ALA C CA 9322 C C . ALA C 367 ? 0.3798 0.2765 0.2941 0.0399 -0.0899 -0.0031 366 ALA C C 9323 O O . ALA C 367 ? 0.3708 0.2770 0.2951 0.0412 -0.0924 -0.0060 366 ALA C O 9324 C CB . ALA C 367 ? 0.4367 0.2960 0.3044 0.0342 -0.0914 0.0026 366 ALA C CB 9325 N N . THR C 368 ? 0.3789 0.2776 0.3008 0.0439 -0.0921 -0.0036 367 THR C N 9326 C CA . THR C 368 ? 0.3744 0.2884 0.3185 0.0500 -0.0966 -0.0082 367 THR C CA 9327 C C . THR C 368 ? 0.3341 0.2691 0.2994 0.0469 -0.0882 -0.0101 367 THR C C 9328 O O . THR C 368 ? 0.3178 0.2656 0.2990 0.0493 -0.0908 -0.0141 367 THR C O 9329 C CB . THR C 368 ? 0.4087 0.3188 0.3548 0.0549 -0.1002 -0.0085 367 THR C CB 9330 O OG1 . THR C 368 ? 0.4401 0.3284 0.3645 0.0581 -0.1090 -0.0068 367 THR C OG1 9331 C CG2 . THR C 368 ? 0.4102 0.3365 0.3798 0.0612 -0.1045 -0.0141 367 THR C CG2 9332 N N . THR C 369 ? 0.3164 0.2544 0.2816 0.0413 -0.0783 -0.0073 368 THR C N 9333 C CA . THR C 369 ? 0.2970 0.2520 0.2789 0.0382 -0.0705 -0.0085 368 THR C CA 9334 C C . THR C 369 ? 0.2902 0.2490 0.2727 0.0360 -0.0702 -0.0097 368 THR C C 9335 O O . THR C 369 ? 0.2680 0.2401 0.2662 0.0363 -0.0692 -0.0128 368 THR C O 9336 C CB . THR C 369 ? 0.2950 0.2506 0.2739 0.0327 -0.0608 -0.0053 368 THR C CB 9337 O OG1 . THR C 369 ? 0.3012 0.2519 0.2778 0.0341 -0.0609 -0.0041 368 THR C OG1 9338 C CG2 . THR C 369 ? 0.2800 0.2515 0.2752 0.0303 -0.0539 -0.0067 368 THR C CG2 9339 N N . LEU C 370 ? 0.3029 0.2492 0.2675 0.0332 -0.0704 -0.0074 369 LEU C N 9340 C CA . LEU C 370 ? 0.3056 0.2538 0.2684 0.0306 -0.0695 -0.0083 369 LEU C CA 9341 C C . LEU C 370 ? 0.3039 0.2539 0.2718 0.0352 -0.0789 -0.0120 369 LEU C C 9342 O O . LEU C 370 ? 0.2998 0.2592 0.2771 0.0341 -0.0779 -0.0145 369 LEU C O 9343 C CB . LEU C 370 ? 0.3304 0.2640 0.2719 0.0262 -0.0669 -0.0053 369 LEU C CB 9344 C CG . LEU C 370 ? 0.3386 0.2728 0.2774 0.0211 -0.0572 -0.0027 369 LEU C CG 9345 C CD1 . LEU C 370 ? 0.3687 0.2874 0.2855 0.0164 -0.0545 -0.0003 369 LEU C CD1 9346 C CD2 . LEU C 370 ? 0.3372 0.2866 0.2910 0.0186 -0.0498 -0.0039 369 LEU C CD2 9347 N N . ALA C 371 ? 0.3144 0.2559 0.2769 0.0405 -0.0881 -0.0128 370 ALA C N 9348 C CA . ALA C 371 ? 0.3153 0.2601 0.2849 0.0457 -0.0981 -0.0172 370 ALA C CA 9349 C C . ALA C 371 ? 0.2961 0.2611 0.2916 0.0472 -0.0964 -0.0216 370 ALA C C 9350 O O . ALA C 371 ? 0.2921 0.2652 0.2974 0.0481 -0.0999 -0.0256 370 ALA C O 9351 C CB . ALA C 371 ? 0.3403 0.2717 0.2994 0.0520 -0.1089 -0.0173 370 ALA C CB 9352 N N . TYR C 372 ? 0.2817 0.2540 0.2874 0.0472 -0.0909 -0.0212 371 TYR C N 9353 C CA . TYR C 372 ? 0.2679 0.2583 0.2968 0.0477 -0.0879 -0.0254 371 TYR C CA 9354 C C . TYR C 372 ? 0.2544 0.2538 0.2896 0.0420 -0.0803 -0.0255 371 TYR C C 9355 O O . TYR C 372 ? 0.2426 0.2529 0.2914 0.0419 -0.0813 -0.0298 371 TYR C O 9356 C CB . TYR C 372 ? 0.2629 0.2572 0.2984 0.0482 -0.0831 -0.0245 371 TYR C CB 9357 C CG . TYR C 372 ? 0.2649 0.2762 0.3228 0.0491 -0.0806 -0.0294 371 TYR C CG 9358 C CD1 . TYR C 372 ? 0.2487 0.2707 0.3163 0.0440 -0.0721 -0.0298 371 TYR C CD1 9359 C CD2 . TYR C 372 ? 0.2764 0.2926 0.3454 0.0550 -0.0868 -0.0341 371 TYR C CD2 9360 C CE1 . TYR C 372 ? 0.2510 0.2872 0.3374 0.0439 -0.0692 -0.0344 371 TYR C CE1 9361 C CE2 . TYR C 372 ? 0.2720 0.3042 0.3616 0.0550 -0.0835 -0.0392 371 TYR C CE2 9362 C CZ . TYR C 372 ? 0.2545 0.2963 0.3523 0.0491 -0.0744 -0.0393 371 TYR C CZ 9363 O OH . TYR C 372 ? 0.2584 0.3149 0.3752 0.0483 -0.0705 -0.0445 371 TYR C OH 9364 N N . LEU C 373 ? 0.2442 0.2386 0.2694 0.0374 -0.0731 -0.0212 372 LEU C N 9365 C CA . LEU C 373 ? 0.2452 0.2460 0.2743 0.0326 -0.0664 -0.0211 372 LEU C CA 9366 C C . LEU C 373 ? 0.2513 0.2507 0.2777 0.0323 -0.0711 -0.0235 372 LEU C C 9367 O O . LEU C 373 ? 0.2396 0.2483 0.2768 0.0303 -0.0689 -0.0262 372 LEU C O 9368 C CB . LEU C 373 ? 0.2482 0.2429 0.2660 0.0285 -0.0590 -0.0166 372 LEU C CB 9369 C CG . LEU C 373 ? 0.2513 0.2513 0.2722 0.0243 -0.0522 -0.0165 372 LEU C CG 9370 C CD1 . LEU C 373 ? 0.2423 0.2548 0.2798 0.0234 -0.0479 -0.0184 372 LEU C CD1 9371 C CD2 . LEU C 373 ? 0.2569 0.2509 0.2667 0.0210 -0.0461 -0.0128 372 LEU C CD2 9372 N N . LYS C 374 ? 0.2728 0.2597 0.2838 0.0341 -0.0776 -0.0225 373 LYS C N 9373 C CA . LYS C 374 ? 0.2978 0.2820 0.3045 0.0341 -0.0831 -0.0247 373 LYS C CA 9374 C C . LYS C 374 ? 0.3010 0.2971 0.3255 0.0370 -0.0888 -0.0305 373 LYS C C 9375 O O . LYS C 374 ? 0.2940 0.2954 0.3237 0.0348 -0.0887 -0.0332 373 LYS C O 9376 C CB . LYS C 374 ? 0.3294 0.2966 0.3156 0.0363 -0.0905 -0.0229 373 LYS C CB 9377 C CG . LYS C 374 ? 0.3450 0.3070 0.3225 0.0350 -0.0945 -0.0244 373 LYS C CG 9378 C CD . LYS C 374 ? 0.3822 0.3254 0.3371 0.0369 -0.1019 -0.0226 373 LYS C CD 9379 C CE . LYS C 374 ? 0.4065 0.3438 0.3510 0.0348 -0.1044 -0.0238 373 LYS C CE 9380 N NZ . LYS C 374 ? 0.4464 0.3632 0.3660 0.0362 -0.1113 -0.0216 373 LYS C NZ 9381 N N . ARG C 375 ? 0.3058 0.3062 0.3397 0.0417 -0.0937 -0.0329 374 ARG C N 9382 C CA A ARG C 375 ? 0.3144 0.3279 0.3675 0.0444 -0.0987 -0.0394 374 ARG C CA 9383 C CA B ARG C 375 ? 0.3190 0.3326 0.3722 0.0444 -0.0987 -0.0394 374 ARG C CA 9384 C C . ARG C 375 ? 0.2834 0.3119 0.3537 0.0398 -0.0898 -0.0416 374 ARG C C 9385 O O . ARG C 375 ? 0.2766 0.3141 0.3584 0.0385 -0.0913 -0.0463 374 ARG C O 9386 C CB A ARG C 375 ? 0.3388 0.3539 0.3986 0.0507 -0.1050 -0.0417 374 ARG C CB 9387 C CB B ARG C 375 ? 0.3537 0.3690 0.4138 0.0507 -0.1049 -0.0418 374 ARG C CB 9388 C CG A ARG C 375 ? 0.3611 0.3915 0.4430 0.0539 -0.1100 -0.0494 374 ARG C CG 9389 C CG B ARG C 375 ? 0.3882 0.4195 0.4712 0.0536 -0.1093 -0.0495 374 ARG C CG 9390 C CD A ARG C 375 ? 0.3920 0.4218 0.4736 0.0560 -0.1198 -0.0536 374 ARG C CD 9391 C CD B ARG C 375 ? 0.4252 0.4612 0.5184 0.0590 -0.1118 -0.0520 374 ARG C CD 9392 N NE A ARG C 375 ? 0.4084 0.4550 0.5135 0.0583 -0.1238 -0.0619 374 ARG C NE 9393 N NE B ARG C 375 ? 0.4385 0.4920 0.5535 0.0566 -0.1044 -0.0563 374 ARG C NE 9394 C CZ A ARG C 375 ? 0.4142 0.4759 0.5364 0.0533 -0.1168 -0.0657 374 ARG C CZ 9395 C CZ B ARG C 375 ? 0.4385 0.4946 0.5548 0.0521 -0.0935 -0.0530 374 ARG C CZ 9396 N NH1 A ARG C 375 ? 0.4276 0.5047 0.5713 0.0550 -0.1203 -0.0739 374 ARG C NH1 9397 N NH1 B ARG C 375 ? 0.4317 0.5022 0.5662 0.0498 -0.0871 -0.0571 374 ARG C NH1 9398 N NH2 A ARG C 375 ? 0.4122 0.4731 0.5299 0.0463 -0.1062 -0.0616 374 ARG C NH2 9399 N NH2 B ARG C 375 ? 0.4469 0.4910 0.5461 0.0498 -0.0889 -0.0459 374 ARG C NH2 9400 N N . VAL C 376 ? 0.2645 0.2946 0.3356 0.0369 -0.0806 -0.0381 375 VAL C N 9401 C CA . VAL C 376 ? 0.2467 0.2879 0.3305 0.0323 -0.0718 -0.0394 375 VAL C CA 9402 C C . VAL C 376 ? 0.2505 0.2902 0.3299 0.0278 -0.0691 -0.0390 375 VAL C C 9403 O O . VAL C 376 ? 0.2508 0.2993 0.3417 0.0250 -0.0670 -0.0428 375 VAL C O 9404 C CB . VAL C 376 ? 0.2466 0.2872 0.3288 0.0303 -0.0632 -0.0352 375 VAL C CB 9405 C CG1 . VAL C 376 ? 0.2391 0.2876 0.3302 0.0253 -0.0546 -0.0358 375 VAL C CG1 9406 C CG2 . VAL C 376 ? 0.2529 0.2961 0.3413 0.0342 -0.0650 -0.0363 375 VAL C CG2 9407 N N . LEU C 377 ? 0.2605 0.2887 0.3229 0.0269 -0.0689 -0.0349 376 LEU C N 9408 C CA . LEU C 377 ? 0.2703 0.2961 0.3273 0.0229 -0.0655 -0.0343 376 LEU C CA 9409 C C . LEU C 377 ? 0.3106 0.3358 0.3672 0.0234 -0.0726 -0.0382 376 LEU C C 9410 O O . LEU C 377 ? 0.2947 0.3244 0.3568 0.0201 -0.0703 -0.0406 376 LEU C O 9411 C CB . LEU C 377 ? 0.2709 0.2857 0.3109 0.0216 -0.0618 -0.0292 376 LEU C CB 9412 C CG . LEU C 377 ? 0.2554 0.2710 0.2955 0.0204 -0.0544 -0.0256 376 LEU C CG 9413 C CD1 . LEU C 377 ? 0.2671 0.2731 0.2918 0.0187 -0.0508 -0.0217 376 LEU C CD1 9414 C CD2 . LEU C 377 ? 0.2505 0.2751 0.3026 0.0176 -0.0476 -0.0266 376 LEU C CD2 9415 N N . LEU C 378 ? 0.3426 0.3607 0.3910 0.0274 -0.0814 -0.0386 377 LEU C N 9416 C CA . LEU C 378 ? 0.4056 0.4195 0.4483 0.0281 -0.0890 -0.0414 377 LEU C CA 9417 C C . LEU C 378 ? 0.4569 0.4791 0.5133 0.0317 -0.0980 -0.0475 377 LEU C C 9418 O O . LEU C 378 ? 0.4697 0.4906 0.5246 0.0322 -0.1048 -0.0508 377 LEU C O 9419 C CB . LEU C 378 ? 0.4284 0.4258 0.4488 0.0298 -0.0933 -0.0377 377 LEU C CB 9420 C CG . LEU C 378 ? 0.4693 0.4584 0.4755 0.0255 -0.0850 -0.0331 377 LEU C CG 9421 C CD1 . LEU C 378 ? 0.4969 0.4695 0.4810 0.0267 -0.0892 -0.0301 377 LEU C CD1 9422 C CD2 . LEU C 378 ? 0.5050 0.4966 0.5124 0.0214 -0.0806 -0.0345 377 LEU C CD2 9423 N N . GLY C 379 ? 0.4695 0.5003 0.5394 0.0345 -0.0985 -0.0493 378 GLY C N 9424 C CA . GLY C 379 ? 0.5369 0.5792 0.6242 0.0377 -0.1056 -0.0564 378 GLY C CA 9425 C C . GLY C 379 ? 0.6353 0.6703 0.7161 0.0448 -0.1179 -0.0576 378 GLY C C 9426 O O . GLY C 379 ? 0.6468 0.6666 0.7082 0.0467 -0.1200 -0.0524 378 GLY C O 9427 N N . PRO C 380 ? 0.7405 0.7860 0.8374 0.0487 -0.1263 -0.0649 379 PRO C N 9428 C CA . PRO C 380 ? 0.7927 0.8330 0.8869 0.0568 -0.1391 -0.0672 379 PRO C CA 9429 C C . PRO C 380 ? 0.8371 0.8607 0.9101 0.0592 -0.1490 -0.0655 379 PRO C C 9430 O O . PRO C 380 ? 0.9154 0.9357 0.9809 0.0547 -0.1472 -0.0647 379 PRO C O 9431 C CB . PRO C 380 ? 0.7845 0.8438 0.9051 0.0592 -0.1439 -0.0768 379 PRO C CB 9432 C CG . PRO C 380 ? 0.7768 0.8466 0.9076 0.0516 -0.1366 -0.0794 379 PRO C CG 9433 C CD . PRO C 380 ? 0.7348 0.7978 0.8538 0.0453 -0.1239 -0.0719 379 PRO C CD 9434 N N . HIS D 5 ? 0.3866 0.4581 0.4043 0.0425 0.0756 0.0369 4 HIS D N 9435 C CA . HIS D 5 ? 0.3526 0.4211 0.3730 0.0425 0.0700 0.0342 4 HIS D CA 9436 C C . HIS D 5 ? 0.3222 0.3972 0.3514 0.0337 0.0613 0.0335 4 HIS D C 9437 O O . HIS D 5 ? 0.3300 0.4027 0.3570 0.0270 0.0579 0.0324 4 HIS D O 9438 C CB . HIS D 5 ? 0.3797 0.4263 0.3841 0.0443 0.0690 0.0282 4 HIS D CB 9439 C CG . HIS D 5 ? 0.4020 0.4359 0.3959 0.0378 0.0647 0.0242 4 HIS D CG 9440 N ND1 . HIS D 5 ? 0.4260 0.4442 0.4039 0.0397 0.0682 0.0218 4 HIS D ND1 9441 C CD2 . HIS D 5 ? 0.3962 0.4300 0.3927 0.0299 0.0572 0.0222 4 HIS D CD2 9442 C CE1 . HIS D 5 ? 0.4478 0.4577 0.4195 0.0331 0.0626 0.0188 4 HIS D CE1 9443 N NE2 . HIS D 5 ? 0.4154 0.4346 0.3984 0.0274 0.0561 0.0191 4 HIS D NE2 9444 N N . PRO D 6 ? 0.2719 0.3533 0.3097 0.0339 0.0577 0.0340 5 PRO D N 9445 C CA . PRO D 6 ? 0.2557 0.3437 0.3015 0.0259 0.0501 0.0339 5 PRO D CA 9446 C C . PRO D 6 ? 0.2273 0.3003 0.2649 0.0215 0.0439 0.0281 5 PRO D C 9447 O O . PRO D 6 ? 0.2350 0.2947 0.2633 0.0249 0.0443 0.0242 5 PRO D O 9448 C CB . PRO D 6 ? 0.2591 0.3581 0.3154 0.0286 0.0491 0.0366 5 PRO D CB 9449 C CG . PRO D 6 ? 0.2742 0.3633 0.3232 0.0372 0.0534 0.0348 5 PRO D CG 9450 C CD . PRO D 6 ? 0.2910 0.3734 0.3307 0.0415 0.0605 0.0349 5 PRO D CD 9451 N N . PRO D 7 ? 0.2070 0.2820 0.2475 0.0140 0.0383 0.0276 6 PRO D N 9452 C CA . PRO D 7 ? 0.1970 0.2599 0.2316 0.0105 0.0325 0.0227 6 PRO D CA 9453 C C . PRO D 7 ? 0.1893 0.2502 0.2261 0.0127 0.0299 0.0207 6 PRO D C 9454 O O . PRO D 7 ? 0.1691 0.2400 0.2142 0.0145 0.0304 0.0235 6 PRO D O 9455 C CB . PRO D 7 ? 0.2030 0.2698 0.2411 0.0030 0.0278 0.0236 6 PRO D CB 9456 C CG . PRO D 7 ? 0.2143 0.2954 0.2602 0.0014 0.0306 0.0290 6 PRO D CG 9457 C CD . PRO D 7 ? 0.2053 0.2936 0.2546 0.0085 0.0370 0.0318 6 PRO D CD 9458 N N . VAL D 8 ? 0.1820 0.2306 0.2115 0.0122 0.0270 0.0164 7 VAL D N 9459 C CA . VAL D 8 ? 0.1773 0.2220 0.2069 0.0142 0.0251 0.0142 7 VAL D CA 9460 C C . VAL D 8 ? 0.1685 0.2086 0.1979 0.0094 0.0192 0.0114 7 VAL D C 9461 O O . VAL D 8 ? 0.1591 0.1922 0.1828 0.0069 0.0173 0.0094 7 VAL D O 9462 C CB . VAL D 8 ? 0.1881 0.2212 0.2078 0.0189 0.0282 0.0119 7 VAL D CB 9463 C CG1 . VAL D 8 ? 0.1914 0.2185 0.2096 0.0196 0.0255 0.0093 7 VAL D CG1 9464 C CG2 . VAL D 8 ? 0.2030 0.2397 0.2224 0.0253 0.0350 0.0148 7 VAL D CG2 9465 N N . VAL D 9 ? 0.1614 0.2054 0.1965 0.0088 0.0165 0.0114 8 VAL D N 9466 C CA . VAL D 9 ? 0.1656 0.2048 0.2001 0.0056 0.0118 0.0087 8 VAL D CA 9467 C C . VAL D 9 ? 0.1700 0.2046 0.2031 0.0082 0.0116 0.0068 8 VAL D C 9468 O O . VAL D 9 ? 0.1654 0.2044 0.2020 0.0111 0.0132 0.0083 8 VAL D O 9469 C CB . VAL D 9 ? 0.1619 0.2078 0.2027 0.0016 0.0088 0.0101 8 VAL D CB 9470 C CG1 . VAL D 9 ? 0.1649 0.2057 0.2049 -0.0002 0.0050 0.0076 8 VAL D CG1 9471 C CG2 . VAL D 9 ? 0.1676 0.2159 0.2081 -0.0020 0.0085 0.0118 8 VAL D CG2 9472 N N . LEU D 10 ? 0.1687 0.1949 0.1967 0.0071 0.0095 0.0039 9 LEU D N 9473 C CA . LEU D 10 ? 0.1758 0.1964 0.2011 0.0085 0.0089 0.0020 9 LEU D CA 9474 C C . LEU D 10 ? 0.1693 0.1916 0.1989 0.0058 0.0053 0.0011 9 LEU D C 9475 O O . LEU D 10 ? 0.1602 0.1821 0.1905 0.0030 0.0027 0.0004 9 LEU D O 9476 C CB . LEU D 10 ? 0.1928 0.2035 0.2093 0.0082 0.0087 -0.0001 9 LEU D CB 9477 C CG . LEU D 10 ? 0.2071 0.2131 0.2164 0.0104 0.0123 0.0003 9 LEU D CG 9478 C CD1 . LEU D 10 ? 0.2294 0.2248 0.2289 0.0086 0.0108 -0.0018 9 LEU D CD1 9479 C CD2 . LEU D 10 ? 0.2209 0.2266 0.2286 0.0155 0.0169 0.0015 9 LEU D CD2 9480 N N . VAL D 11 ? 0.1619 0.1855 0.1939 0.0072 0.0054 0.0012 10 VAL D N 9481 C CA . VAL D 11 ? 0.1501 0.1752 0.1857 0.0051 0.0027 0.0006 10 VAL D CA 9482 C C . VAL D 11 ? 0.1527 0.1720 0.1852 0.0057 0.0025 -0.0010 10 VAL D C 9483 O O . VAL D 11 ? 0.1489 0.1663 0.1794 0.0084 0.0044 -0.0005 10 VAL D O 9484 C CB . VAL D 11 ? 0.1503 0.1824 0.1913 0.0051 0.0025 0.0026 10 VAL D CB 9485 C CG1 . VAL D 11 ? 0.1463 0.1780 0.1890 0.0028 0.0000 0.0017 10 VAL D CG1 9486 C CG2 . VAL D 11 ? 0.1560 0.1941 0.1997 0.0038 0.0028 0.0048 10 VAL D CG2 9487 N N . PRO D 12 ? 0.1426 0.1591 0.1743 0.0033 0.0002 -0.0025 11 PRO D N 9488 C CA . PRO D 12 ? 0.1475 0.1588 0.1760 0.0028 -0.0001 -0.0038 11 PRO D CA 9489 C C . PRO D 12 ? 0.1542 0.1671 0.1856 0.0026 -0.0005 -0.0037 11 PRO D C 9490 O O . PRO D 12 ? 0.1457 0.1634 0.1815 0.0026 -0.0008 -0.0029 11 PRO D O 9491 C CB . PRO D 12 ? 0.1481 0.1584 0.1763 0.0000 -0.0027 -0.0046 11 PRO D CB 9492 C CG . PRO D 12 ? 0.1472 0.1626 0.1801 -0.0004 -0.0036 -0.0040 11 PRO D CG 9493 C CD . PRO D 12 ? 0.1446 0.1625 0.1780 0.0011 -0.0017 -0.0028 11 PRO D CD 9494 N N . GLY D 13 ? 0.1655 0.1737 0.1937 0.0019 -0.0006 -0.0045 12 GLY D N 9495 C CA . GLY D 13 ? 0.1806 0.1895 0.2108 0.0013 -0.0008 -0.0044 12 GLY D CA 9496 C C . GLY D 13 ? 0.1892 0.1999 0.2221 -0.0015 -0.0026 -0.0049 12 GLY D C 9497 O O . GLY D 13 ? 0.1849 0.1976 0.2195 -0.0027 -0.0039 -0.0050 12 GLY D O 9498 N N . ASP D 14 ? 0.1937 0.2038 0.2270 -0.0023 -0.0024 -0.0049 13 ASP D N 9499 C CA . ASP D 14 ? 0.2009 0.2136 0.2373 -0.0048 -0.0033 -0.0049 13 ASP D CA 9500 C C . ASP D 14 ? 0.1945 0.2055 0.2291 -0.0075 -0.0050 -0.0050 13 ASP D C 9501 O O . ASP D 14 ? 0.2048 0.2096 0.2333 -0.0085 -0.0051 -0.0055 13 ASP D O 9502 C CB . ASP D 14 ? 0.2086 0.2199 0.2444 -0.0053 -0.0023 -0.0047 13 ASP D CB 9503 C CG . ASP D 14 ? 0.2306 0.2463 0.2708 -0.0066 -0.0022 -0.0042 13 ASP D CG 9504 O OD1 . ASP D 14 ? 0.2197 0.2398 0.2639 -0.0068 -0.0028 -0.0039 13 ASP D OD1 9505 O OD2 . ASP D 14 ? 0.2582 0.2725 0.2974 -0.0070 -0.0011 -0.0040 13 ASP D OD2 9506 N N . LEU D 15 ? 0.1930 0.2093 0.2323 -0.0088 -0.0063 -0.0044 14 LEU D N 9507 C CA . LEU D 15 ? 0.1938 0.2105 0.2324 -0.0119 -0.0087 -0.0039 14 LEU D CA 9508 C C . LEU D 15 ? 0.1863 0.1992 0.2203 -0.0115 -0.0098 -0.0044 14 LEU D C 9509 O O . LEU D 15 ? 0.1921 0.2033 0.2233 -0.0144 -0.0121 -0.0041 14 LEU D O 9510 C CB . LEU D 15 ? 0.2140 0.2267 0.2486 -0.0158 -0.0096 -0.0037 14 LEU D CB 9511 C CG . LEU D 15 ? 0.2449 0.2598 0.2823 -0.0168 -0.0083 -0.0031 14 LEU D CG 9512 C CD1 . LEU D 15 ? 0.2561 0.2660 0.2883 -0.0217 -0.0096 -0.0028 14 LEU D CD1 9513 C CD2 . LEU D 15 ? 0.2558 0.2805 0.3020 -0.0165 -0.0081 -0.0015 14 LEU D CD2 9514 N N . GLY D 16 ? 0.1729 0.1845 0.2058 -0.0083 -0.0081 -0.0050 15 GLY D N 9515 C CA . GLY D 16 ? 0.1775 0.1841 0.2045 -0.0075 -0.0078 -0.0056 15 GLY D CA 9516 C C . GLY D 16 ? 0.1759 0.1848 0.2040 -0.0073 -0.0091 -0.0052 15 GLY D C 9517 O O . GLY D 16 ? 0.1789 0.1841 0.2023 -0.0063 -0.0083 -0.0055 15 GLY D O 9518 N N . ASN D 17 ? 0.1610 0.1756 0.1948 -0.0078 -0.0107 -0.0043 16 ASN D N 9519 C CA . ASN D 17 ? 0.1628 0.1787 0.1968 -0.0079 -0.0125 -0.0036 16 ASN D CA 9520 C C . ASN D 17 ? 0.1619 0.1835 0.2012 -0.0091 -0.0149 -0.0021 16 ASN D C 9521 O O . ASN D 17 ? 0.1542 0.1801 0.1985 -0.0092 -0.0144 -0.0015 16 ASN D O 9522 C CB . ASN D 17 ? 0.1574 0.1740 0.1922 -0.0054 -0.0110 -0.0036 16 ASN D CB 9523 C CG . ASN D 17 ? 0.1501 0.1702 0.1897 -0.0038 -0.0096 -0.0034 16 ASN D CG 9524 O OD1 . ASN D 17 ? 0.1558 0.1754 0.1951 -0.0029 -0.0078 -0.0038 16 ASN D OD1 9525 N ND2 . ASN D 17 ? 0.1445 0.1681 0.1883 -0.0034 -0.0104 -0.0026 16 ASN D ND2 9526 N N . GLN D 18 ? 0.1700 0.1920 0.2083 -0.0099 -0.0174 -0.0011 17 GLN D N 9527 C CA . GLN D 18 ? 0.1692 0.1980 0.2133 -0.0103 -0.0198 0.0010 17 GLN D CA 9528 C C . GLN D 18 ? 0.1654 0.1990 0.2159 -0.0066 -0.0178 0.0017 17 GLN D C 9529 O O . GLN D 18 ? 0.1535 0.1838 0.2022 -0.0042 -0.0156 0.0006 17 GLN D O 9530 C CB . GLN D 18 ? 0.1894 0.2175 0.2309 -0.0110 -0.0228 0.0021 17 GLN D CB 9531 C CG . GLN D 18 ? 0.2049 0.2272 0.2386 -0.0152 -0.0254 0.0016 17 GLN D CG 9532 C CD . GLN D 18 ? 0.2216 0.2424 0.2515 -0.0159 -0.0285 0.0028 17 GLN D CD 9533 O OE1 . GLN D 18 ? 0.2191 0.2451 0.2540 -0.0138 -0.0297 0.0047 17 GLN D OE1 9534 N NE2 . GLN D 18 ? 0.2318 0.2445 0.2520 -0.0187 -0.0296 0.0017 17 GLN D NE2 9535 N N . LEU D 19 ? 0.1604 0.2012 0.2176 -0.0062 -0.0184 0.0038 18 LEU D N 9536 C CA . LEU D 19 ? 0.1637 0.2083 0.2259 -0.0019 -0.0164 0.0050 18 LEU D CA 9537 C C . LEU D 19 ? 0.1743 0.2263 0.2421 -0.0009 -0.0188 0.0082 18 LEU D C 9538 O O . LEU D 19 ? 0.1699 0.2272 0.2405 -0.0043 -0.0217 0.0100 18 LEU D O 9539 C CB . LEU D 19 ? 0.1644 0.2114 0.2301 -0.0011 -0.0134 0.0047 18 LEU D CB 9540 C CG . LEU D 19 ? 0.1803 0.2211 0.2414 -0.0015 -0.0110 0.0021 18 LEU D CG 9541 C CD1 . LEU D 19 ? 0.1876 0.2312 0.2520 -0.0009 -0.0084 0.0023 18 LEU D CD1 9542 C CD2 . LEU D 19 ? 0.1904 0.2257 0.2474 0.0006 -0.0097 0.0008 18 LEU D CD2 9543 N N . GLU D 20 ? 0.1762 0.2282 0.2451 0.0035 -0.0177 0.0094 19 GLU D N 9544 C CA . GLU D 20 ? 0.1925 0.2518 0.2669 0.0059 -0.0197 0.0130 19 GLU D CA 9545 C C . GLU D 20 ? 0.1853 0.2485 0.2649 0.0114 -0.0160 0.0147 19 GLU D C 9546 O O . GLU D 20 ? 0.1799 0.2364 0.2555 0.0139 -0.0124 0.0126 19 GLU D O 9547 C CB . GLU D 20 ? 0.2214 0.2754 0.2907 0.0072 -0.0217 0.0132 19 GLU D CB 9548 C CG . GLU D 20 ? 0.2530 0.3037 0.3170 0.0022 -0.0254 0.0124 19 GLU D CG 9549 C CD . GLU D 20 ? 0.2808 0.3251 0.3384 0.0031 -0.0269 0.0123 19 GLU D CD 9550 O OE1 . GLU D 20 ? 0.3096 0.3502 0.3657 0.0073 -0.0249 0.0125 19 GLU D OE1 9551 O OE2 . GLU D 20 ? 0.3202 0.3618 0.3730 -0.0006 -0.0300 0.0120 19 GLU D OE2 9552 N N . ALA D 21 ? 0.1749 0.2490 0.2631 0.0134 -0.0169 0.0187 20 ALA D N 9553 C CA . ALA D 21 ? 0.1733 0.2516 0.2665 0.0196 -0.0127 0.0209 20 ALA D CA 9554 C C . ALA D 21 ? 0.1826 0.2669 0.2805 0.0249 -0.0139 0.0252 20 ALA D C 9555 O O . ALA D 21 ? 0.1851 0.2754 0.2860 0.0224 -0.0187 0.0277 20 ALA D O 9556 C CB . ALA D 21 ? 0.1729 0.2607 0.2737 0.0182 -0.0108 0.0223 20 ALA D CB 9557 N N . LYS D 22 ? 0.1910 0.2729 0.2886 0.0322 -0.0093 0.0262 21 LYS D N 9558 C CA . LYS D 22 ? 0.2091 0.2973 0.3120 0.0390 -0.0092 0.0310 21 LYS D CA 9559 C C . LYS D 22 ? 0.2011 0.2955 0.3101 0.0453 -0.0034 0.0334 21 LYS D C 9560 O O . LYS D 22 ? 0.1958 0.2820 0.2993 0.0466 0.0013 0.0303 21 LYS D O 9561 C CB . LYS D 22 ? 0.2395 0.3147 0.3327 0.0429 -0.0091 0.0298 21 LYS D CB 9562 C CG . LYS D 22 ? 0.2700 0.3499 0.3672 0.0508 -0.0088 0.0348 21 LYS D CG 9563 C CD . LYS D 22 ? 0.3256 0.3905 0.4112 0.0538 -0.0090 0.0335 21 LYS D CD 9564 C CE . LYS D 22 ? 0.3943 0.4636 0.4836 0.0619 -0.0092 0.0389 21 LYS D CE 9565 N NZ . LYS D 22 ? 0.4467 0.5019 0.5246 0.0632 -0.0109 0.0379 21 LYS D NZ 9566 N N . LEU D 23 ? 0.2001 0.3095 0.3205 0.0491 -0.0037 0.0391 22 LEU D N 9567 C CA . LEU D 23 ? 0.1936 0.3125 0.3222 0.0544 0.0018 0.0422 22 LEU D CA 9568 C C . LEU D 23 ? 0.2141 0.3362 0.3460 0.0654 0.0055 0.0469 22 LEU D C 9569 O O . LEU D 23 ? 0.2089 0.3360 0.3442 0.0677 0.0018 0.0505 22 LEU D O 9570 C CB . LEU D 23 ? 0.1924 0.3304 0.3344 0.0488 -0.0010 0.0460 22 LEU D CB 9571 C CG . LEU D 23 ? 0.1820 0.3186 0.3216 0.0378 -0.0054 0.0425 22 LEU D CG 9572 C CD1 . LEU D 23 ? 0.1842 0.3397 0.3368 0.0326 -0.0084 0.0472 22 LEU D CD1 9573 C CD2 . LEU D 23 ? 0.1827 0.3067 0.3135 0.0360 -0.0012 0.0369 22 LEU D CD2 9574 N N . ASP D 24 ? 0.2381 0.3568 0.3683 0.0723 0.0131 0.0470 23 ASP D N 9575 C CA . ASP D 24 ? 0.2640 0.3894 0.3999 0.0837 0.0183 0.0525 23 ASP D CA 9576 C C . ASP D 24 ? 0.2583 0.3865 0.3965 0.0871 0.0261 0.0527 23 ASP D C 9577 O O . ASP D 24 ? 0.2673 0.3808 0.3946 0.0935 0.0327 0.0504 23 ASP D O 9578 C CB . ASP D 24 ? 0.2939 0.4013 0.4168 0.0913 0.0205 0.0512 23 ASP D CB 9579 C CG . ASP D 24 ? 0.3404 0.4545 0.4691 0.1040 0.0252 0.0576 23 ASP D CG 9580 O OD1 . ASP D 24 ? 0.3403 0.4754 0.4848 0.1068 0.0264 0.0636 23 ASP D OD1 9581 O OD2 . ASP D 24 ? 0.3831 0.4813 0.5002 0.1113 0.0279 0.0569 23 ASP D OD2 9582 N N . LYS D 25 ? 0.2446 0.3903 0.3955 0.0819 0.0251 0.0553 24 LYS D N 9583 C CA . LYS D 25 ? 0.2520 0.3995 0.4039 0.0821 0.0314 0.0545 24 LYS D CA 9584 C C . LYS D 25 ? 0.2805 0.4412 0.4425 0.0926 0.0386 0.0610 24 LYS D C 9585 O O . LYS D 25 ? 0.2611 0.4393 0.4364 0.0957 0.0364 0.0675 24 LYS D O 9586 C CB . LYS D 25 ? 0.2395 0.3990 0.3995 0.0708 0.0271 0.0543 24 LYS D CB 9587 C CG . LYS D 25 ? 0.2372 0.3845 0.3877 0.0607 0.0207 0.0482 24 LYS D CG 9588 C CD . LYS D 25 ? 0.2350 0.3957 0.3945 0.0503 0.0147 0.0496 24 LYS D CD 9589 C CE . LYS D 25 ? 0.2329 0.3997 0.3964 0.0467 0.0184 0.0498 24 LYS D CE 9590 N NZ . LYS D 25 ? 0.2431 0.3928 0.3936 0.0432 0.0204 0.0431 24 LYS D NZ 9591 N N . PRO D 26 ? 0.3112 0.4636 0.4666 0.0982 0.0472 0.0595 25 PRO D N 9592 C CA . PRO D 26 ? 0.3315 0.4968 0.4965 0.1090 0.0551 0.0660 25 PRO D CA 9593 C C . PRO D 26 ? 0.3257 0.5176 0.5100 0.1045 0.0546 0.0718 25 PRO D C 9594 O O . PRO D 26 ? 0.3108 0.5217 0.5094 0.1118 0.0576 0.0794 25 PRO D O 9595 C CB . PRO D 26 ? 0.3513 0.4975 0.5011 0.1144 0.0642 0.0618 25 PRO D CB 9596 C CG . PRO D 26 ? 0.3549 0.4850 0.4920 0.1039 0.0603 0.0541 25 PRO D CG 9597 C CD . PRO D 26 ? 0.3325 0.4622 0.4702 0.0961 0.0503 0.0523 25 PRO D CD 9598 N N . THR D 27 ? 0.3176 0.5106 0.5020 0.0929 0.0509 0.0684 26 THR D N 9599 C CA . THR D 27 ? 0.3293 0.5454 0.5300 0.0866 0.0498 0.0733 26 THR D CA 9600 C C . THR D 27 ? 0.2980 0.5138 0.4980 0.0722 0.0405 0.0699 26 THR D C 9601 O O . THR D 27 ? 0.2742 0.4707 0.4600 0.0675 0.0372 0.0629 26 THR D O 9602 C CB . THR D 27 ? 0.3610 0.5773 0.5607 0.0887 0.0588 0.0733 26 THR D CB 9603 O OG1 . THR D 27 ? 0.4099 0.6045 0.5929 0.0831 0.0589 0.0651 26 THR D OG1 9604 C CG2 . THR D 27 ? 0.3877 0.6024 0.5862 0.1033 0.0690 0.0764 26 THR D CG2 9605 N N . VAL D 28 ? 0.2735 0.5105 0.4883 0.0651 0.0367 0.0750 27 VAL D N 9606 C CA . VAL D 28 ? 0.2568 0.4931 0.4701 0.0512 0.0287 0.0721 27 VAL D CA 9607 C C . VAL D 28 ? 0.2508 0.4992 0.4716 0.0448 0.0310 0.0745 27 VAL D C 9608 O O . VAL D 28 ? 0.2427 0.5072 0.4751 0.0501 0.0370 0.0805 27 VAL D O 9609 C CB . VAL D 28 ? 0.2485 0.4958 0.4694 0.0455 0.0190 0.0755 27 VAL D CB 9610 C CG1 . VAL D 28 ? 0.2481 0.4790 0.4578 0.0487 0.0154 0.0714 27 VAL D CG1 9611 C CG2 . VAL D 28 ? 0.2598 0.5338 0.5000 0.0498 0.0191 0.0854 27 VAL D CG2 9612 N N . VAL D 29 ? 0.2343 0.4751 0.4485 0.0335 0.0264 0.0702 28 VAL D N 9613 C CA . VAL D 29 ? 0.2529 0.5023 0.4720 0.0264 0.0283 0.0719 28 VAL D CA 9614 C C . VAL D 29 ? 0.2541 0.5281 0.4897 0.0188 0.0231 0.0795 28 VAL D C 9615 O O . VAL D 29 ? 0.2673 0.5540 0.5110 0.0154 0.0264 0.0834 28 VAL D O 9616 C CB . VAL D 29 ? 0.2556 0.4863 0.4602 0.0179 0.0262 0.0646 28 VAL D CB 9617 C CG1 . VAL D 29 ? 0.2661 0.4755 0.4560 0.0250 0.0317 0.0582 28 VAL D CG1 9618 C CG2 . VAL D 29 ? 0.2578 0.4826 0.4575 0.0085 0.0165 0.0619 28 VAL D CG2 9619 N N . HIS D 30 ? 0.2551 0.5346 0.4945 0.0154 0.0149 0.0816 29 HIS D N 9620 C CA . HIS D 30 ? 0.2688 0.5719 0.5236 0.0081 0.0088 0.0894 29 HIS D CA 9621 C C . HIS D 30 ? 0.2537 0.5659 0.5158 0.0141 0.0049 0.0937 29 HIS D C 9622 O O . HIS D 30 ? 0.2395 0.5356 0.4910 0.0189 0.0034 0.0889 29 HIS D O 9623 C CB . HIS D 30 ? 0.2828 0.5806 0.5314 -0.0070 -0.0002 0.0870 29 HIS D CB 9624 C CG . HIS D 30 ? 0.3049 0.5915 0.5445 -0.0140 0.0021 0.0825 29 HIS D CG 9625 N ND1 . HIS D 30 ? 0.3064 0.6038 0.5533 -0.0143 0.0084 0.0859 29 HIS D ND1 9626 C CD2 . HIS D 30 ? 0.3219 0.5872 0.5453 -0.0207 -0.0007 0.0751 29 HIS D CD2 9627 C CE1 . HIS D 30 ? 0.3272 0.6098 0.5625 -0.0211 0.0090 0.0807 29 HIS D CE1 9628 N NE2 . HIS D 30 ? 0.3369 0.6000 0.5580 -0.0248 0.0035 0.0742 29 HIS D NE2 9629 N N . TYR D 31 ? 0.2490 0.5875 0.5291 0.0128 0.0025 0.1029 30 TYR D N 9630 C CA . TYR D 31 ? 0.2604 0.6110 0.5494 0.0177 -0.0021 0.1084 30 TYR D CA 9631 C C . TYR D 31 ? 0.2612 0.5993 0.5398 0.0103 -0.0124 0.1046 30 TYR D C 9632 O O . TYR D 31 ? 0.2906 0.6269 0.5685 0.0166 -0.0150 0.1054 30 TYR D O 9633 C CB . TYR D 31 ? 0.2628 0.6461 0.5738 0.0141 -0.0045 0.1196 30 TYR D CB 9634 C CG . TYR D 31 ? 0.2577 0.6480 0.5702 -0.0032 -0.0145 0.1213 30 TYR D CG 9635 C CD1 . TYR D 31 ? 0.2687 0.6572 0.5785 -0.0134 -0.0134 0.1195 30 TYR D CD1 9636 C CD2 . TYR D 31 ? 0.2767 0.6732 0.5916 -0.0097 -0.0253 0.1244 30 TYR D CD2 9637 C CE1 . TYR D 31 ? 0.2752 0.6673 0.5840 -0.0297 -0.0227 0.1208 30 TYR D CE1 9638 C CE2 . TYR D 31 ? 0.2818 0.6822 0.5956 -0.0261 -0.0348 0.1257 30 TYR D CE2 9639 C CZ . TYR D 31 ? 0.2912 0.6887 0.6015 -0.0361 -0.0334 0.1238 30 TYR D CZ 9640 O OH . TYR D 31 ? 0.3142 0.7137 0.6217 -0.0526 -0.0428 0.1251 30 TYR D OH 9641 N N . LEU D 32 ? 0.2590 0.5873 0.5283 -0.0027 -0.0179 0.1002 31 LEU D N 9642 C CA . LEU D 32 ? 0.2800 0.5954 0.5382 -0.0101 -0.0272 0.0965 31 LEU D CA 9643 C C . LEU D 32 ? 0.2796 0.5674 0.5195 -0.0048 -0.0250 0.0872 31 LEU D C 9644 O O . LEU D 32 ? 0.2655 0.5420 0.4958 -0.0090 -0.0315 0.0841 31 LEU D O 9645 C CB . LEU D 32 ? 0.3193 0.6344 0.5736 -0.0263 -0.0343 0.0960 31 LEU D CB 9646 C CG . LEU D 32 ? 0.3474 0.6524 0.5943 -0.0323 -0.0302 0.0915 31 LEU D CG 9647 C CD1 . LEU D 32 ? 0.3671 0.6436 0.5947 -0.0298 -0.0277 0.0814 31 LEU D CD1 9648 C CD2 . LEU D 32 ? 0.3583 0.6686 0.6050 -0.0481 -0.0377 0.0938 31 LEU D CD2 9649 N N . CYS D 33 ? 0.2583 0.5358 0.4934 0.0041 -0.0159 0.0832 32 CYS D N 9650 C CA . CYS D 33 ? 0.2595 0.5124 0.4783 0.0091 -0.0137 0.0751 32 CYS D CA 9651 C C . CYS D 33 ? 0.2527 0.5053 0.4727 0.0198 -0.0131 0.0769 32 CYS D C 9652 O O . CYS D 33 ? 0.2414 0.5081 0.4729 0.0287 -0.0086 0.0828 32 CYS D O 9653 C CB . CYS D 33 ? 0.2677 0.5092 0.4800 0.0139 -0.0048 0.0705 32 CYS D CB 9654 S SG . CYS D 33 ? 0.3029 0.5433 0.5130 0.0040 -0.0031 0.0684 32 CYS D SG 9655 N N . SER D 34 ? 0.2500 0.4866 0.4581 0.0195 -0.0170 0.0724 33 SER D N 9656 C CA . SER D 34 ? 0.2694 0.5025 0.4762 0.0296 -0.0161 0.0735 33 SER D CA 9657 C C . SER D 34 ? 0.2616 0.4829 0.4624 0.0403 -0.0067 0.0704 33 SER D C 9658 O O . SER D 34 ? 0.2373 0.4428 0.4270 0.0385 -0.0034 0.0639 33 SER D O 9659 C CB . SER D 34 ? 0.3016 0.5194 0.4960 0.0260 -0.0223 0.0692 33 SER D CB 9660 O OG . SER D 34 ? 0.3461 0.5736 0.5447 0.0170 -0.0312 0.0726 33 SER D OG 9661 N N . LYS D 35 ? 0.2472 0.4756 0.4544 0.0515 -0.0027 0.0751 34 LYS D N 9662 C CA . LYS D 35 ? 0.2674 0.4825 0.4668 0.0624 0.0059 0.0725 34 LYS D CA 9663 C C . LYS D 35 ? 0.2690 0.4631 0.4534 0.0654 0.0046 0.0675 34 LYS D C 9664 O O . LYS D 35 ? 0.2597 0.4357 0.4317 0.0690 0.0097 0.0622 34 LYS D O 9665 C CB . LYS D 35 ? 0.2830 0.5130 0.4943 0.0742 0.0115 0.0800 34 LYS D CB 9666 C CG . LYS D 35 ? 0.3078 0.5468 0.5260 0.0776 0.0196 0.0821 34 LYS D CG 9667 C CD . LYS D 35 ? 0.3361 0.5880 0.5646 0.0911 0.0261 0.0895 34 LYS D CD 9668 C CE . LYS D 35 ? 0.3744 0.6238 0.6014 0.0975 0.0369 0.0889 34 LYS D CE 9669 N NZ . LYS D 35 ? 0.4029 0.6673 0.6415 0.1109 0.0440 0.0970 34 LYS D NZ 9670 N N . LYS D 36 ? 0.2789 0.4757 0.4645 0.0638 -0.0023 0.0696 35 LYS D N 9671 C CA . LYS D 36 ? 0.3008 0.4805 0.4741 0.0681 -0.0033 0.0667 35 LYS D CA 9672 C C . LYS D 36 ? 0.2961 0.4736 0.4658 0.0593 -0.0124 0.0654 35 LYS D C 9673 O O . LYS D 36 ? 0.2855 0.4790 0.4654 0.0541 -0.0184 0.0701 35 LYS D O 9674 C CB . LYS D 36 ? 0.3572 0.5434 0.5362 0.0804 -0.0002 0.0729 35 LYS D CB 9675 C CG . LYS D 36 ? 0.4144 0.5807 0.5793 0.0866 0.0004 0.0701 35 LYS D CG 9676 C CD . LYS D 36 ? 0.4970 0.6698 0.6675 0.0995 0.0036 0.0768 35 LYS D CD 9677 C CE . LYS D 36 ? 0.5652 0.7190 0.7217 0.1042 0.0023 0.0749 35 LYS D CE 9678 N NZ . LYS D 36 ? 0.6254 0.7678 0.7748 0.1176 0.0106 0.0760 35 LYS D NZ 9679 N N . THR D 37 ? 0.2655 0.4232 0.4203 0.0572 -0.0134 0.0593 36 THR D N 9680 C CA . THR D 37 ? 0.2728 0.4258 0.4221 0.0506 -0.0210 0.0580 36 THR D CA 9681 C C . THR D 37 ? 0.3021 0.4396 0.4403 0.0568 -0.0202 0.0565 36 THR D C 9682 O O . THR D 37 ? 0.3308 0.4546 0.4605 0.0620 -0.0143 0.0531 36 THR D O 9683 C CB . THR D 37 ? 0.2592 0.4031 0.4005 0.0401 -0.0234 0.0519 36 THR D CB 9684 O OG1 . THR D 37 ? 0.2418 0.3683 0.3716 0.0417 -0.0183 0.0457 36 THR D OG1 9685 C CG2 . THR D 37 ? 0.2501 0.4071 0.4006 0.0337 -0.0239 0.0533 36 THR D CG2 9686 N N . GLU D 38 ? 0.3266 0.4650 0.4637 0.0555 -0.0263 0.0588 37 GLU D N 9687 C CA . GLU D 38 ? 0.3714 0.4947 0.4973 0.0604 -0.0261 0.0575 37 GLU D CA 9688 C C . GLU D 38 ? 0.3451 0.4498 0.4563 0.0542 -0.0267 0.0504 37 GLU D C 9689 O O . GLU D 38 ? 0.3577 0.4473 0.4580 0.0578 -0.0246 0.0481 37 GLU D O 9690 C CB . GLU D 38 ? 0.4443 0.5760 0.5744 0.0618 -0.0324 0.0633 37 GLU D CB 9691 C CG . GLU D 38 ? 0.5336 0.6854 0.6795 0.0689 -0.0319 0.0714 37 GLU D CG 9692 C CD . GLU D 38 ? 0.6269 0.7750 0.7731 0.0813 -0.0233 0.0727 37 GLU D CD 9693 O OE1 . GLU D 38 ? 0.7344 0.8636 0.8673 0.0863 -0.0199 0.0695 37 GLU D OE1 9694 O OE2 . GLU D 38 ? 0.7202 0.8839 0.8791 0.0860 -0.0197 0.0772 37 GLU D OE2 9695 N N . SER D 39 ? 0.3062 0.4120 0.4168 0.0448 -0.0294 0.0471 38 SER D N 9696 C CA . SER D 39 ? 0.2995 0.3897 0.3976 0.0392 -0.0295 0.0409 38 SER D CA 9697 C C . SER D 39 ? 0.2667 0.3579 0.3659 0.0332 -0.0279 0.0372 38 SER D C 9698 O O . SER D 39 ? 0.2502 0.3533 0.3590 0.0330 -0.0267 0.0393 38 SER D O 9699 C CB . SER D 39 ? 0.3365 0.4241 0.4294 0.0337 -0.0360 0.0410 38 SER D CB 9700 O OG . SER D 39 ? 0.3709 0.4714 0.4715 0.0277 -0.0410 0.0437 38 SER D OG 9701 N N . TYR D 40 ? 0.2415 0.3203 0.3307 0.0286 -0.0275 0.0320 39 TYR D N 9702 C CA . TYR D 40 ? 0.2255 0.3036 0.3142 0.0230 -0.0263 0.0284 39 TYR D CA 9703 C C . TYR D 40 ? 0.2328 0.3185 0.3248 0.0157 -0.0315 0.0295 39 TYR D C 9704 O O . TYR D 40 ? 0.2480 0.3342 0.3379 0.0134 -0.0364 0.0312 39 TYR D O 9705 C CB . TYR D 40 ? 0.2144 0.2780 0.2920 0.0208 -0.0244 0.0232 39 TYR D CB 9706 C CG . TYR D 40 ? 0.2079 0.2634 0.2815 0.0261 -0.0191 0.0216 39 TYR D CG 9707 C CD1 . TYR D 40 ? 0.2221 0.2698 0.2901 0.0310 -0.0182 0.0224 39 TYR D CD1 9708 C CD2 . TYR D 40 ? 0.1990 0.2532 0.2730 0.0257 -0.0152 0.0192 39 TYR D CD2 9709 C CE1 . TYR D 40 ? 0.2269 0.2654 0.2894 0.0352 -0.0135 0.0209 39 TYR D CE1 9710 C CE2 . TYR D 40 ? 0.2005 0.2461 0.2692 0.0298 -0.0107 0.0177 39 TYR D CE2 9711 C CZ . TYR D 40 ? 0.2167 0.2539 0.2792 0.0343 -0.0099 0.0184 39 TYR D CZ 9712 O OH . TYR D 40 ? 0.2283 0.2553 0.2838 0.0380 -0.0057 0.0170 39 TYR D OH 9713 N N . PHE D 41 ? 0.2173 0.3081 0.3134 0.0119 -0.0306 0.0287 40 PHE D N 9714 C CA . PHE D 41 ? 0.2226 0.3174 0.3191 0.0040 -0.0352 0.0290 40 PHE D CA 9715 C C . PHE D 41 ? 0.2161 0.3030 0.3070 0.0001 -0.0326 0.0243 40 PHE D C 9716 O O . PHE D 41 ? 0.2069 0.2900 0.2972 0.0035 -0.0275 0.0221 40 PHE D O 9717 C CB . PHE D 41 ? 0.2198 0.3311 0.3283 0.0026 -0.0374 0.0342 40 PHE D CB 9718 C CG . PHE D 41 ? 0.2199 0.3377 0.3358 0.0049 -0.0323 0.0347 40 PHE D CG 9719 C CD1 . PHE D 41 ? 0.2165 0.3381 0.3379 0.0134 -0.0274 0.0366 40 PHE D CD1 9720 C CD2 . PHE D 41 ? 0.2378 0.3572 0.3543 -0.0012 -0.0322 0.0334 40 PHE D CD2 9721 C CE1 . PHE D 41 ? 0.2219 0.3487 0.3490 0.0156 -0.0223 0.0370 40 PHE D CE1 9722 C CE2 . PHE D 41 ? 0.2378 0.3627 0.3604 0.0006 -0.0274 0.0339 40 PHE D CE2 9723 C CZ . PHE D 41 ? 0.2363 0.3651 0.3643 0.0091 -0.0223 0.0357 40 PHE D CZ 9724 N N . THR D 42 ? 0.2076 0.2914 0.2934 -0.0068 -0.0360 0.0230 41 THR D N 9725 C CA . THR D 42 ? 0.2042 0.2797 0.2839 -0.0100 -0.0336 0.0188 41 THR D CA 9726 C C . THR D 42 ? 0.2037 0.2867 0.2904 -0.0114 -0.0316 0.0198 41 THR D C 9727 O O . THR D 42 ? 0.2009 0.2929 0.2929 -0.0158 -0.0349 0.0230 41 THR D O 9728 C CB . THR D 42 ? 0.2223 0.2901 0.2926 -0.0165 -0.0374 0.0171 41 THR D CB 9729 O OG1 . THR D 42 ? 0.2258 0.2867 0.2894 -0.0148 -0.0386 0.0163 41 THR D OG1 9730 C CG2 . THR D 42 ? 0.2221 0.2810 0.2857 -0.0188 -0.0346 0.0132 41 THR D CG2 9731 N N . ILE D 43 ? 0.1879 0.2674 0.2744 -0.0082 -0.0265 0.0175 42 ILE D N 9732 C CA . ILE D 43 ? 0.1859 0.2707 0.2775 -0.0094 -0.0240 0.0180 42 ILE D CA 9733 C C . ILE D 43 ? 0.1855 0.2620 0.2699 -0.0142 -0.0236 0.0147 42 ILE D C 9734 O O . ILE D 43 ? 0.1933 0.2735 0.2803 -0.0176 -0.0232 0.0155 42 ILE D O 9735 C CB . ILE D 43 ? 0.1994 0.2865 0.2954 -0.0026 -0.0186 0.0183 42 ILE D CB 9736 C CG1 . ILE D 43 ? 0.2131 0.3094 0.3167 -0.0034 -0.0163 0.0205 42 ILE D CG1 9737 C CG2 . ILE D 43 ? 0.1975 0.2725 0.2855 -0.0001 -0.0153 0.0140 42 ILE D CG2 9738 C CD1 . ILE D 43 ? 0.2306 0.3306 0.3391 0.0036 -0.0110 0.0218 42 ILE D CD1 9739 N N . TRP D 44 ? 0.1748 0.2399 0.2498 -0.0145 -0.0237 0.0113 43 TRP D N 9740 C CA . TRP D 44 ? 0.1723 0.2284 0.2391 -0.0185 -0.0237 0.0085 43 TRP D CA 9741 C C . TRP D 44 ? 0.1826 0.2299 0.2404 -0.0197 -0.0259 0.0068 43 TRP D C 9742 O O . TRP D 44 ? 0.1588 0.2033 0.2151 -0.0158 -0.0247 0.0059 43 TRP D O 9743 C CB . TRP D 44 ? 0.1730 0.2239 0.2377 -0.0155 -0.0192 0.0059 43 TRP D CB 9744 C CG . TRP D 44 ? 0.1675 0.2094 0.2243 -0.0185 -0.0188 0.0035 43 TRP D CG 9745 C CD1 . TRP D 44 ? 0.1710 0.2038 0.2200 -0.0173 -0.0178 0.0010 43 TRP D CD1 9746 C CD2 . TRP D 44 ? 0.1710 0.2122 0.2265 -0.0228 -0.0192 0.0038 43 TRP D CD2 9747 N NE1 . TRP D 44 ? 0.1791 0.2049 0.2218 -0.0199 -0.0173 -0.0002 43 TRP D NE1 9748 C CE2 . TRP D 44 ? 0.1813 0.2114 0.2273 -0.0235 -0.0183 0.0012 43 TRP D CE2 9749 C CE3 . TRP D 44 ? 0.1827 0.2317 0.2441 -0.0262 -0.0200 0.0063 43 TRP D CE3 9750 C CZ2 . TRP D 44 ? 0.1922 0.2169 0.2331 -0.0274 -0.0183 0.0008 43 TRP D CZ2 9751 C CZ3 . TRP D 44 ? 0.1966 0.2410 0.2534 -0.0308 -0.0203 0.0060 43 TRP D CZ3 9752 C CH2 . TRP D 44 ? 0.2038 0.2353 0.2498 -0.0314 -0.0195 0.0031 43 TRP D CH2 9753 N N . LEU D 45 ? 0.2004 0.2425 0.2513 -0.0250 -0.0290 0.0065 44 LEU D N 9754 C CA . LEU D 45 ? 0.2258 0.2694 0.2765 -0.0309 -0.0311 0.0077 44 LEU D CA 9755 C C . LEU D 45 ? 0.2461 0.2965 0.2993 -0.0355 -0.0366 0.0111 44 LEU D C 9756 O O . LEU D 45 ? 0.2593 0.3044 0.3058 -0.0370 -0.0397 0.0109 44 LEU D O 9757 C CB . LEU D 45 ? 0.2349 0.2647 0.2730 -0.0339 -0.0306 0.0047 44 LEU D CB 9758 C CG . LEU D 45 ? 0.2531 0.2797 0.2863 -0.0413 -0.0334 0.0055 44 LEU D CG 9759 C CD1 . LEU D 45 ? 0.2528 0.2876 0.2944 -0.0421 -0.0317 0.0071 44 LEU D CD1 9760 C CD2 . LEU D 45 ? 0.2731 0.2833 0.2917 -0.0425 -0.0321 0.0023 44 LEU D CD2 9761 N N . ASN D 46 ? 0.2714 0.3339 0.3344 -0.0377 -0.0379 0.0146 45 ASN D N 9762 C CA . ASN D 46 ? 0.3044 0.3753 0.3709 -0.0432 -0.0437 0.0186 45 ASN D CA 9763 C C . ASN D 46 ? 0.3257 0.4020 0.3955 -0.0495 -0.0448 0.0207 45 ASN D C 9764 O O . ASN D 46 ? 0.2932 0.3800 0.3735 -0.0473 -0.0418 0.0226 45 ASN D O 9765 C CB . ASN D 46 ? 0.3306 0.4150 0.4087 -0.0386 -0.0446 0.0225 45 ASN D CB 9766 C CG . ASN D 46 ? 0.3609 0.4568 0.4445 -0.0445 -0.0512 0.0277 45 ASN D CG 9767 O OD1 . ASN D 46 ? 0.4315 0.5264 0.5113 -0.0529 -0.0550 0.0286 45 ASN D OD1 9768 N ND2 . ASN D 46 ? 0.3922 0.4985 0.4842 -0.0404 -0.0527 0.0312 45 ASN D ND2 9769 N N . LEU D 47 ? 0.3828 0.4510 0.4425 -0.0577 -0.0490 0.0204 46 LEU D N 9770 C CA . LEU D 47 ? 0.4239 0.4931 0.4830 -0.0651 -0.0502 0.0217 46 LEU D CA 9771 C C . LEU D 47 ? 0.4069 0.4962 0.4809 -0.0684 -0.0530 0.0278 46 LEU D C 9772 O O . LEU D 47 ? 0.4060 0.5012 0.4851 -0.0716 -0.0516 0.0295 46 LEU D O 9773 C CB . LEU D 47 ? 0.4639 0.5181 0.5066 -0.0736 -0.0548 0.0202 46 LEU D CB 9774 C CG . LEU D 47 ? 0.4918 0.5255 0.5187 -0.0707 -0.0516 0.0146 46 LEU D CG 9775 C CD1 . LEU D 47 ? 0.5170 0.5356 0.5268 -0.0790 -0.0563 0.0137 46 LEU D CD1 9776 C CD2 . LEU D 47 ? 0.5062 0.5349 0.5324 -0.0677 -0.0459 0.0122 46 LEU D CD2 9777 N N . GLU D 48 ? 0.4317 0.5321 0.5133 -0.0671 -0.0566 0.0314 47 GLU D N 9778 C CA . GLU D 48 ? 0.4620 0.5835 0.5591 -0.0697 -0.0593 0.0380 47 GLU D CA 9779 C C . GLU D 48 ? 0.4243 0.5588 0.5357 -0.0619 -0.0528 0.0397 47 GLU D C 9780 O O . GLU D 48 ? 0.4010 0.5525 0.5251 -0.0641 -0.0533 0.0450 47 GLU D O 9781 C CB . GLU D 48 ? 0.5116 0.6411 0.6125 -0.0696 -0.0650 0.0417 47 GLU D CB 9782 C CG . GLU D 48 ? 0.5976 0.7159 0.6844 -0.0793 -0.0722 0.0410 47 GLU D CG 9783 C CD . GLU D 48 ? 0.6755 0.8013 0.7651 -0.0800 -0.0785 0.0449 47 GLU D CD 9784 O OE1 . GLU D 48 ? 0.7760 0.9087 0.8736 -0.0709 -0.0762 0.0459 47 GLU D OE1 9785 O OE2 . GLU D 48 ? 0.7697 0.8935 0.8524 -0.0898 -0.0859 0.0470 47 GLU D OE2 9786 N N . LEU D 49 ? 0.3707 0.4968 0.4795 -0.0532 -0.0466 0.0354 48 LEU D N 9787 C CA . LEU D 49 ? 0.3391 0.4743 0.4585 -0.0457 -0.0401 0.0364 48 LEU D CA 9788 C C . LEU D 49 ? 0.3190 0.4513 0.4369 -0.0487 -0.0364 0.0351 48 LEU D C 9789 O O . LEU D 49 ? 0.2836 0.4236 0.4096 -0.0438 -0.0310 0.0363 48 LEU D O 9790 C CB . LEU D 49 ? 0.3419 0.4687 0.4580 -0.0360 -0.0356 0.0326 48 LEU D CB 9791 C CG . LEU D 49 ? 0.3414 0.4680 0.4569 -0.0324 -0.0385 0.0333 48 LEU D CG 9792 C CD1 . LEU D 49 ? 0.3518 0.4690 0.4631 -0.0238 -0.0336 0.0295 48 LEU D CD1 9793 C CD2 . LEU D 49 ? 0.3414 0.4866 0.4706 -0.0307 -0.0409 0.0399 48 LEU D CD2 9794 N N . LEU D 50 ? 0.3278 0.4475 0.4338 -0.0563 -0.0389 0.0324 49 LEU D N 9795 C CA . LEU D 50 ? 0.3440 0.4574 0.4458 -0.0591 -0.0355 0.0305 49 LEU D CA 9796 C C . LEU D 50 ? 0.3712 0.4927 0.4762 -0.0691 -0.0387 0.0347 49 LEU D C 9797 O O . LEU D 50 ? 0.3984 0.5148 0.4995 -0.0725 -0.0363 0.0337 49 LEU D O 9798 C CB . LEU D 50 ? 0.3570 0.4491 0.4422 -0.0596 -0.0350 0.0246 49 LEU D CB 9799 C CG . LEU D 50 ? 0.3533 0.4375 0.4347 -0.0511 -0.0325 0.0208 49 LEU D CG 9800 C CD1 . LEU D 50 ? 0.3545 0.4196 0.4206 -0.0517 -0.0320 0.0159 49 LEU D CD1 9801 C CD2 . LEU D 50 ? 0.3374 0.4270 0.4265 -0.0430 -0.0264 0.0205 49 LEU D CD2 9802 N N . LEU D 51 ? 0.3813 0.5161 0.4938 -0.0739 -0.0441 0.0397 50 LEU D N 9803 C CA . LEU D 51 ? 0.4019 0.5469 0.5190 -0.0845 -0.0479 0.0447 50 LEU D CA 9804 C C . LEU D 51 ? 0.3898 0.5508 0.5209 -0.0819 -0.0425 0.0484 50 LEU D C 9805 O O . LEU D 51 ? 0.3572 0.5254 0.4972 -0.0718 -0.0369 0.0486 50 LEU D O 9806 C CB . LEU D 51 ? 0.4189 0.5763 0.5420 -0.0897 -0.0554 0.0498 50 LEU D CB 9807 C CG . LEU D 51 ? 0.4532 0.5949 0.5613 -0.0938 -0.0615 0.0468 50 LEU D CG 9808 C CD1 . LEU D 51 ? 0.4537 0.6092 0.5696 -0.0956 -0.0681 0.0520 50 LEU D CD1 9809 C CD2 . LEU D 51 ? 0.4839 0.6094 0.5757 -0.1052 -0.0652 0.0447 50 LEU D CD2 9810 N N . PRO D 52 ? 0.3897 0.5561 0.5225 -0.0914 -0.0439 0.0516 51 PRO D N 9811 C CA . PRO D 52 ? 0.3801 0.5630 0.5268 -0.0893 -0.0384 0.0558 51 PRO D CA 9812 C C . PRO D 52 ? 0.3559 0.5615 0.5212 -0.0815 -0.0366 0.0614 51 PRO D C 9813 O O . PRO D 52 ? 0.3385 0.5531 0.5090 -0.0829 -0.0423 0.0647 51 PRO D O 9814 C CB . PRO D 52 ? 0.3977 0.5861 0.5443 -0.1031 -0.0429 0.0601 51 PRO D CB 9815 C CG . PRO D 52 ? 0.4112 0.5766 0.5378 -0.1109 -0.0482 0.0553 51 PRO D CG 9816 C CD . PRO D 52 ? 0.4078 0.5645 0.5288 -0.1045 -0.0503 0.0517 51 PRO D CD 9817 N N . VAL D 53 ? 0.3384 0.5519 0.5125 -0.0730 -0.0286 0.0623 52 VAL D N 9818 C CA . VAL D 53 ? 0.3377 0.5705 0.5282 -0.0634 -0.0248 0.0672 52 VAL D CA 9819 C C . VAL D 53 ? 0.3179 0.5430 0.5053 -0.0529 -0.0240 0.0638 52 VAL D C 9820 O O . VAL D 53 ? 0.3036 0.5278 0.4932 -0.0422 -0.0170 0.0624 52 VAL D O 9821 C CB . VAL D 53 ? 0.3532 0.6110 0.5598 -0.0689 -0.0297 0.0761 52 VAL D CB 9822 C CG1 . VAL D 53 ? 0.3527 0.6307 0.5765 -0.0575 -0.0243 0.0816 52 VAL D CG1 9823 C CG2 . VAL D 53 ? 0.3694 0.6349 0.5787 -0.0806 -0.0309 0.0798 52 VAL D CG2 9824 N N . ILE D 54 ? 0.3122 0.5311 0.4935 -0.0562 -0.0311 0.0625 53 ILE D N 9825 C CA . ILE D 54 ? 0.3210 0.5304 0.4971 -0.0478 -0.0309 0.0590 53 ILE D CA 9826 C C . ILE D 54 ? 0.3001 0.4896 0.4640 -0.0420 -0.0251 0.0515 53 ILE D C 9827 O O . ILE D 54 ? 0.2870 0.4718 0.4499 -0.0324 -0.0214 0.0493 53 ILE D O 9828 C CB . ILE D 54 ? 0.3434 0.5454 0.5111 -0.0544 -0.0396 0.0580 53 ILE D CB 9829 C CG1 . ILE D 54 ? 0.3710 0.5920 0.5494 -0.0620 -0.0468 0.0655 53 ILE D CG1 9830 C CG2 . ILE D 54 ? 0.3561 0.5484 0.5183 -0.0462 -0.0395 0.0546 53 ILE D CG2 9831 C CD1 . ILE D 54 ? 0.3844 0.6298 0.5823 -0.0555 -0.0443 0.0730 53 ILE D CD1 9832 N N . ILE D 55 ? 0.2832 0.4607 0.4373 -0.0480 -0.0246 0.0479 54 ILE D N 9833 C CA . ILE D 55 ? 0.2845 0.4444 0.4275 -0.0431 -0.0197 0.0415 54 ILE D CA 9834 C C . ILE D 55 ? 0.2580 0.4224 0.4071 -0.0337 -0.0118 0.0418 54 ILE D C 9835 O O . ILE D 55 ? 0.2280 0.3798 0.3695 -0.0276 -0.0083 0.0372 54 ILE D O 9836 C CB . ILE D 55 ? 0.3181 0.4648 0.4498 -0.0508 -0.0203 0.0382 54 ILE D CB 9837 C CG1 . ILE D 55 ? 0.3526 0.4809 0.4724 -0.0456 -0.0167 0.0318 54 ILE D CG1 9838 C CG2 . ILE D 55 ? 0.3282 0.4848 0.4666 -0.0545 -0.0172 0.0417 54 ILE D CG2 9839 C CD1 . ILE D 55 ? 0.3901 0.5018 0.4958 -0.0519 -0.0190 0.0279 54 ILE D CD1 9840 N N . ASP D 56 ? 0.2423 0.4243 0.4044 -0.0325 -0.0089 0.0474 55 ASP D N 9841 C CA . ASP D 56 ? 0.2396 0.4247 0.4061 -0.0229 -0.0009 0.0478 55 ASP D CA 9842 C C . ASP D 56 ? 0.2132 0.3963 0.3802 -0.0130 0.0002 0.0471 55 ASP D C 9843 O O . ASP D 56 ? 0.1980 0.3723 0.3600 -0.0053 0.0059 0.0441 55 ASP D O 9844 C CB . ASP D 56 ? 0.2607 0.4663 0.4417 -0.0228 0.0025 0.0547 55 ASP D CB 9845 C CG . ASP D 56 ? 0.2950 0.5022 0.4752 -0.0323 0.0024 0.0556 55 ASP D CG 9846 O OD1 . ASP D 56 ? 0.3224 0.5132 0.4903 -0.0349 0.0035 0.0505 55 ASP D OD1 9847 O OD2 . ASP D 56 ? 0.3297 0.5553 0.5218 -0.0371 0.0012 0.0620 55 ASP D OD2 9848 N N . CYS D 57 ? 0.2019 0.3929 0.3742 -0.0136 -0.0051 0.0501 56 CYS D N 9849 C CA . CYS D 57 ? 0.2100 0.3978 0.3815 -0.0052 -0.0049 0.0495 56 CYS D CA 9850 C C . CYS D 57 ? 0.2047 0.3709 0.3609 -0.0043 -0.0052 0.0422 56 CYS D C 9851 O O . CYS D 57 ? 0.1930 0.3508 0.3446 0.0034 -0.0013 0.0397 56 CYS D O 9852 C CB . CYS D 57 ? 0.2335 0.4320 0.4116 -0.0077 -0.0118 0.0537 56 CYS D CB 9853 S SG . CYS D 57 ? 0.2694 0.4958 0.4665 -0.0114 -0.0138 0.0633 56 CYS D SG 9854 N N . TRP D 58 ? 0.1950 0.3522 0.3430 -0.0125 -0.0099 0.0390 57 TRP D N 9855 C CA . TRP D 58 ? 0.1972 0.3359 0.3318 -0.0122 -0.0104 0.0328 57 TRP D CA 9856 C C . TRP D 58 ? 0.2029 0.3318 0.3317 -0.0081 -0.0043 0.0292 57 TRP D C 9857 O O . TRP D 58 ? 0.2105 0.3293 0.3329 -0.0028 -0.0023 0.0259 57 TRP D O 9858 C CB . TRP D 58 ? 0.2015 0.3331 0.3286 -0.0214 -0.0158 0.0308 57 TRP D CB 9859 C CG . TRP D 58 ? 0.2112 0.3252 0.3253 -0.0212 -0.0162 0.0251 57 TRP D CG 9860 C CD1 . TRP D 58 ? 0.2137 0.3207 0.3224 -0.0193 -0.0187 0.0232 57 TRP D CD1 9861 C CD2 . TRP D 58 ? 0.2177 0.3197 0.3230 -0.0229 -0.0140 0.0210 57 TRP D CD2 9862 N NE1 . TRP D 58 ? 0.2086 0.3011 0.3065 -0.0196 -0.0179 0.0184 57 TRP D NE1 9863 C CE2 . TRP D 58 ? 0.2163 0.3056 0.3120 -0.0216 -0.0152 0.0171 57 TRP D CE2 9864 C CE3 . TRP D 58 ? 0.2264 0.3274 0.3309 -0.0251 -0.0110 0.0207 57 TRP D CE3 9865 C CZ2 . TRP D 58 ? 0.2407 0.3176 0.3272 -0.0221 -0.0135 0.0131 57 TRP D CZ2 9866 C CZ3 . TRP D 58 ? 0.2419 0.3294 0.3364 -0.0257 -0.0096 0.0165 57 TRP D CZ3 9867 C CH2 . TRP D 58 ? 0.2471 0.3231 0.3330 -0.0240 -0.0109 0.0129 57 TRP D CH2 9868 N N . ILE D 59 ? 0.1978 0.3296 0.3283 -0.0111 -0.0015 0.0299 58 ILE D N 9869 C CA . ILE D 59 ? 0.2062 0.3298 0.3313 -0.0076 0.0041 0.0270 58 ILE D CA 9870 C C . ILE D 59 ? 0.2119 0.3365 0.3391 0.0017 0.0093 0.0277 58 ILE D C 9871 O O . ILE D 59 ? 0.2127 0.3248 0.3311 0.0057 0.0120 0.0239 58 ILE D O 9872 C CB . ILE D 59 ? 0.2236 0.3522 0.3513 -0.0121 0.0065 0.0288 58 ILE D CB 9873 C CG1 . ILE D 59 ? 0.2399 0.3619 0.3612 -0.0211 0.0017 0.0270 58 ILE D CG1 9874 C CG2 . ILE D 59 ? 0.2289 0.3503 0.3516 -0.0074 0.0130 0.0266 58 ILE D CG2 9875 C CD1 . ILE D 59 ? 0.2606 0.3868 0.3836 -0.0272 0.0030 0.0290 58 ILE D CD1 9876 N N . ASP D 60 ? 0.1923 0.3313 0.3305 0.0053 0.0106 0.0328 59 ASP D N 9877 C CA . ASP D 60 ? 0.1979 0.3371 0.3373 0.0150 0.0162 0.0339 59 ASP D CA 9878 C C . ASP D 60 ? 0.1953 0.3229 0.3270 0.0195 0.0148 0.0308 59 ASP D C 9879 O O . ASP D 60 ? 0.2070 0.3267 0.3333 0.0264 0.0195 0.0295 59 ASP D O 9880 C CB . ASP D 60 ? 0.2035 0.3618 0.3572 0.0189 0.0180 0.0407 59 ASP D CB 9881 C CG . ASP D 60 ? 0.2210 0.3788 0.3750 0.0294 0.0260 0.0420 59 ASP D CG 9882 O OD1 . ASP D 60 ? 0.2304 0.3798 0.3776 0.0309 0.0313 0.0395 59 ASP D OD1 9883 O OD2 . ASP D 60 ? 0.2436 0.4081 0.4034 0.0364 0.0270 0.0455 59 ASP D OD2 9884 N N . ASN D 61 ? 0.1754 0.3008 0.3053 0.0152 0.0084 0.0297 60 ASN D N 9885 C CA . ASN D 61 ? 0.1772 0.2922 0.2999 0.0184 0.0067 0.0272 60 ASN D CA 9886 C C . ASN D 61 ? 0.1825 0.2815 0.2931 0.0156 0.0059 0.0215 60 ASN D C 9887 O O . ASN D 61 ? 0.1718 0.2605 0.2751 0.0194 0.0071 0.0191 60 ASN D O 9888 C CB . ASN D 61 ? 0.1731 0.2945 0.3001 0.0159 0.0005 0.0295 60 ASN D CB 9889 C CG . ASN D 61 ? 0.1743 0.3111 0.3131 0.0207 0.0009 0.0356 60 ASN D CG 9890 O OD1 . ASN D 61 ? 0.1743 0.3125 0.3152 0.0286 0.0064 0.0373 60 ASN D OD1 9891 N ND2 . ASN D 61 ? 0.1667 0.3144 0.3124 0.0161 -0.0048 0.0391 60 ASN D ND2 9892 N N . ILE D 62 ? 0.1815 0.2787 0.2899 0.0089 0.0038 0.0197 61 ILE D N 9893 C CA . ILE D 62 ? 0.2001 0.2840 0.2981 0.0062 0.0025 0.0150 61 ILE D CA 9894 C C . ILE D 62 ? 0.2012 0.2779 0.2938 0.0069 0.0066 0.0126 61 ILE D C 9895 O O . ILE D 62 ? 0.2101 0.2762 0.2944 0.0062 0.0062 0.0092 61 ILE D O 9896 C CB . ILE D 62 ? 0.2096 0.2929 0.3060 -0.0007 -0.0023 0.0142 61 ILE D CB 9897 C CG1 . ILE D 62 ? 0.2250 0.2962 0.3120 -0.0014 -0.0040 0.0103 61 ILE D CG1 9898 C CG2 . ILE D 62 ? 0.2162 0.3017 0.3135 -0.0054 -0.0014 0.0146 61 ILE D CG2 9899 C CD1 . ILE D 62 ? 0.2423 0.3111 0.3261 -0.0070 -0.0084 0.0096 61 ILE D CD1 9900 N N . ARG D 63 ? 0.1962 0.2788 0.2931 0.0085 0.0107 0.0147 62 ARG D N 9901 C CA . ARG D 63 ? 0.2160 0.2910 0.3067 0.0099 0.0150 0.0127 62 ARG D CA 9902 C C . ARG D 63 ? 0.2163 0.2811 0.2994 0.0152 0.0171 0.0106 62 ARG D C 9903 O O . ARG D 63 ? 0.2069 0.2726 0.2914 0.0194 0.0172 0.0118 62 ARG D O 9904 C CB . ARG D 63 ? 0.2372 0.3205 0.3336 0.0113 0.0196 0.0157 62 ARG D CB 9905 C CG . ARG D 63 ? 0.2592 0.3482 0.3604 0.0186 0.0237 0.0186 62 ARG D CG 9906 C CD . ARG D 63 ? 0.2947 0.3960 0.4046 0.0196 0.0281 0.0227 62 ARG D CD 9907 N NE . ARG D 63 ? 0.3139 0.4223 0.4297 0.0274 0.0320 0.0263 62 ARG D NE 9908 C CZ . ARG D 63 ? 0.3474 0.4491 0.4577 0.0347 0.0382 0.0259 62 ARG D CZ 9909 N NH1 . ARG D 63 ? 0.3597 0.4477 0.4584 0.0346 0.0411 0.0222 62 ARG D NH1 9910 N NH2 . ARG D 63 ? 0.3763 0.4850 0.4924 0.0422 0.0417 0.0296 62 ARG D NH2 9911 N N . LEU D 64 ? 0.2217 0.2761 0.2959 0.0144 0.0184 0.0077 63 LEU D N 9912 C CA . LEU D 64 ? 0.2163 0.2599 0.2817 0.0183 0.0209 0.0059 63 LEU D CA 9913 C C . LEU D 64 ? 0.2226 0.2643 0.2853 0.0216 0.0267 0.0066 63 LEU D C 9914 O O . LEU D 64 ? 0.2226 0.2682 0.2875 0.0193 0.0283 0.0073 63 LEU D O 9915 C CB . LEU D 64 ? 0.2165 0.2501 0.2734 0.0149 0.0181 0.0027 63 LEU D CB 9916 C CG . LEU D 64 ? 0.2263 0.2592 0.2833 0.0124 0.0133 0.0016 63 LEU D CG 9917 C CD1 . LEU D 64 ? 0.2213 0.2461 0.2709 0.0095 0.0115 -0.0007 63 LEU D CD1 9918 C CD2 . LEU D 64 ? 0.2405 0.2718 0.2970 0.0158 0.0129 0.0022 63 LEU D CD2 9919 N N . VAL D 65 ? 0.2316 0.2669 0.2890 0.0271 0.0302 0.0067 64 VAL D N 9920 C CA . VAL D 65 ? 0.2464 0.2767 0.2982 0.0310 0.0364 0.0070 64 VAL D CA 9921 C C . VAL D 65 ? 0.2578 0.2722 0.2953 0.0292 0.0361 0.0035 64 VAL D C 9922 O O . VAL D 65 ? 0.2751 0.2810 0.3060 0.0292 0.0337 0.0018 64 VAL D O 9923 C CB . VAL D 65 ? 0.2667 0.2972 0.3191 0.0389 0.0408 0.0092 64 VAL D CB 9924 C CG1 . VAL D 65 ? 0.2955 0.3183 0.3397 0.0437 0.0480 0.0093 64 VAL D CG1 9925 C CG2 . VAL D 65 ? 0.2680 0.3160 0.3356 0.0407 0.0406 0.0134 64 VAL D CG2 9926 N N . TYR D 66 ? 0.2547 0.2654 0.2873 0.0272 0.0381 0.0026 65 TYR D N 9927 C CA . TYR D 66 ? 0.2624 0.2584 0.2810 0.0251 0.0375 -0.0001 65 TYR D CA 9928 C C . TYR D 66 ? 0.2864 0.2710 0.2938 0.0304 0.0435 -0.0003 65 TYR D C 9929 O O . TYR D 66 ? 0.2818 0.2691 0.2904 0.0337 0.0491 0.0012 65 TYR D O 9930 C CB . TYR D 66 ? 0.2632 0.2593 0.2805 0.0200 0.0359 -0.0009 65 TYR D CB 9931 C CG . TYR D 66 ? 0.2683 0.2513 0.2727 0.0169 0.0334 -0.0033 65 TYR D CG 9932 C CD1 . TYR D 66 ? 0.2703 0.2524 0.2746 0.0131 0.0275 -0.0045 65 TYR D CD1 9933 C CD2 . TYR D 66 ? 0.2841 0.2556 0.2760 0.0178 0.0369 -0.0042 65 TYR D CD2 9934 C CE1 . TYR D 66 ? 0.2825 0.2543 0.2760 0.0099 0.0248 -0.0060 65 TYR D CE1 9935 C CE2 . TYR D 66 ? 0.3016 0.2615 0.2815 0.0142 0.0337 -0.0060 65 TYR D CE2 9936 C CZ . TYR D 66 ? 0.2923 0.2532 0.2737 0.0101 0.0275 -0.0067 65 TYR D CZ 9937 O OH . TYR D 66 ? 0.3160 0.2670 0.2864 0.0061 0.0241 -0.0078 65 TYR D OH 9938 N N . ASN D 67 ? 0.2929 0.2643 0.2889 0.0309 0.0424 -0.0021 66 ASN D N 9939 C CA . ASN D 67 ? 0.3338 0.2909 0.3160 0.0357 0.0478 -0.0027 66 ASN D CA 9940 C C . ASN D 67 ? 0.3483 0.2912 0.3155 0.0312 0.0467 -0.0051 66 ASN D C 9941 O O . ASN D 67 ? 0.3528 0.2891 0.3138 0.0261 0.0413 -0.0068 66 ASN D O 9942 C CB . ASN D 67 ? 0.3407 0.2911 0.3189 0.0388 0.0470 -0.0029 66 ASN D CB 9943 C CG . ASN D 67 ? 0.3859 0.3194 0.3484 0.0444 0.0527 -0.0035 66 ASN D CG 9944 O OD1 . ASN D 67 ? 0.3834 0.3041 0.3322 0.0435 0.0553 -0.0050 66 ASN D OD1 9945 N ND2 . ASN D 67 ? 0.4042 0.3365 0.3676 0.0505 0.0548 -0.0021 66 ASN D ND2 9946 N N . LYS D 68 ? 0.3881 0.3274 0.3499 0.0327 0.0517 -0.0049 67 LYS D N 9947 C CA . LYS D 68 ? 0.4226 0.3494 0.3702 0.0280 0.0505 -0.0069 67 LYS D CA 9948 C C . LYS D 68 ? 0.4718 0.3780 0.3998 0.0278 0.0505 -0.0089 67 LYS D C 9949 O O . LYS D 68 ? 0.4783 0.3749 0.3954 0.0219 0.0464 -0.0105 67 LYS D O 9950 C CB . LYS D 68 ? 0.4610 0.3878 0.4062 0.0301 0.0566 -0.0060 67 LYS D CB 9951 C CG . LYS D 68 ? 0.4673 0.4118 0.4287 0.0284 0.0563 -0.0041 67 LYS D CG 9952 C CD . LYS D 68 ? 0.5098 0.4531 0.4673 0.0306 0.0631 -0.0030 67 LYS D CD 9953 C CE . LYS D 68 ? 0.5352 0.4930 0.5055 0.0271 0.0621 -0.0012 67 LYS D CE 9954 N NZ . LYS D 68 ? 0.5542 0.5299 0.5425 0.0296 0.0633 0.0015 67 LYS D NZ 9955 N N . THR D 69 ? 0.4942 0.3936 0.4176 0.0340 0.0546 -0.0087 68 THR D N 9956 C CA . THR D 69 ? 0.5489 0.4267 0.4521 0.0339 0.0547 -0.0106 68 THR D CA 9957 C C . THR D 69 ? 0.5391 0.4152 0.4417 0.0274 0.0466 -0.0116 68 THR D C 9958 O O . THR D 69 ? 0.5864 0.4495 0.4750 0.0212 0.0425 -0.0132 68 THR D O 9959 C CB . THR D 69 ? 0.5566 0.4274 0.4553 0.0433 0.0618 -0.0097 68 THR D CB 9960 O OG1 . THR D 69 ? 0.5801 0.4550 0.4814 0.0499 0.0700 -0.0081 68 THR D OG1 9961 C CG2 . THR D 69 ? 0.6007 0.4457 0.4753 0.0430 0.0624 -0.0119 68 THR D CG2 9962 N N . SER D 70 ? 0.5067 0.3965 0.4245 0.0284 0.0440 -0.0104 69 SER D N 9963 C CA . SER D 70 ? 0.4626 0.3526 0.3813 0.0225 0.0369 -0.0110 69 SER D CA 9964 C C . SER D 70 ? 0.4351 0.3370 0.3633 0.0154 0.0307 -0.0109 69 SER D C 9965 O O . SER D 70 ? 0.4192 0.3211 0.3471 0.0100 0.0249 -0.0112 69 SER D O 9966 C CB . SER D 70 ? 0.4679 0.3663 0.3975 0.0267 0.0368 -0.0097 69 SER D CB 9967 O OG . SER D 70 ? 0.4481 0.3661 0.3966 0.0289 0.0374 -0.0079 69 SER D OG 9968 N N . ARG D 71 ? 0.4053 0.3172 0.3418 0.0156 0.0321 -0.0102 70 ARG D N 9969 C CA . ARG D 71 ? 0.3966 0.3206 0.3433 0.0104 0.0269 -0.0098 70 ARG D CA 9970 C C . ARG D 71 ? 0.3697 0.3056 0.3296 0.0095 0.0230 -0.0090 70 ARG D C 9971 O O . ARG D 71 ? 0.3713 0.3100 0.3330 0.0045 0.0176 -0.0091 70 ARG D O 9972 C CB . ARG D 71 ? 0.4099 0.3255 0.3458 0.0036 0.0223 -0.0106 70 ARG D CB 9973 C CG . ARG D 71 ? 0.4311 0.3342 0.3527 0.0037 0.0256 -0.0114 70 ARG D CG 9974 C CD . ARG D 71 ? 0.4266 0.3386 0.3559 0.0053 0.0286 -0.0106 70 ARG D CD 9975 N NE . ARG D 71 ? 0.4152 0.3372 0.3527 0.0005 0.0231 -0.0098 70 ARG D NE 9976 C CZ . ARG D 71 ? 0.4247 0.3427 0.3554 -0.0036 0.0204 -0.0096 70 ARG D CZ 9977 N NH1 . ARG D 71 ? 0.4342 0.3379 0.3489 -0.0043 0.0225 -0.0105 70 ARG D NH1 9978 N NH2 . ARG D 71 ? 0.4146 0.3426 0.3541 -0.0067 0.0159 -0.0085 70 ARG D NH2 9979 N N . ALA D 72 ? 0.3461 0.2891 0.3149 0.0146 0.0259 -0.0081 71 ALA D N 9980 C CA . ALA D 72 ? 0.3186 0.2713 0.2982 0.0143 0.0226 -0.0073 71 ALA D CA 9981 C C . ALA D 72 ? 0.3102 0.2759 0.3032 0.0187 0.0254 -0.0056 71 ALA D C 9982 O O . ALA D 72 ? 0.3090 0.2743 0.3015 0.0232 0.0306 -0.0048 71 ALA D O 9983 C CB . ALA D 72 ? 0.3379 0.2809 0.3097 0.0152 0.0220 -0.0078 71 ALA D CB 9984 N N . THR D 73 ? 0.2927 0.2694 0.2969 0.0173 0.0220 -0.0049 72 THR D N 9985 C CA . THR D 73 ? 0.2773 0.2660 0.2934 0.0205 0.0236 -0.0029 72 THR D CA 9986 C C . THR D 73 ? 0.2866 0.2746 0.3036 0.0249 0.0244 -0.0019 72 THR D C 9987 O O . THR D 73 ? 0.3034 0.2830 0.3134 0.0242 0.0225 -0.0029 72 THR D O 9988 C CB . THR D 73 ? 0.2681 0.2680 0.2945 0.0167 0.0197 -0.0025 72 THR D CB 9989 O OG1 . THR D 73 ? 0.2720 0.2701 0.2973 0.0138 0.0153 -0.0034 72 THR D OG1 9990 C CG2 . THR D 73 ? 0.2689 0.2699 0.2951 0.0137 0.0198 -0.0030 72 THR D CG2 9991 N N . GLN D 74 ? 0.2770 0.2740 0.3027 0.0294 0.0273 0.0004 73 GLN D N 9992 C CA . GLN D 74 ? 0.2744 0.2731 0.3030 0.0341 0.0278 0.0021 73 GLN D CA 9993 C C . GLN D 74 ? 0.2507 0.2661 0.2942 0.0347 0.0269 0.0050 73 GLN D C 9994 O O . GLN D 74 ? 0.2315 0.2555 0.2816 0.0323 0.0272 0.0057 73 GLN D O 9995 C CB . GLN D 74 ? 0.3152 0.3040 0.3351 0.0410 0.0336 0.0027 73 GLN D CB 9996 C CG . GLN D 74 ? 0.3392 0.3291 0.3586 0.0438 0.0392 0.0035 73 GLN D CG 9997 C CD . GLN D 74 ? 0.3502 0.3266 0.3575 0.0505 0.0455 0.0035 73 GLN D CD 9998 O OE1 . GLN D 74 ? 0.3608 0.3205 0.3527 0.0491 0.0458 0.0008 73 GLN D OE1 9999 N NE2 . GLN D 74 ? 0.3554 0.3392 0.3693 0.0579 0.0506 0.0067 73 GLN D NE2 10000 N N . PHE D 75 ? 0.2487 0.2683 0.2968 0.0372 0.0251 0.0067 74 PHE D N 10001 C CA . PHE D 75 ? 0.2404 0.2759 0.3021 0.0374 0.0236 0.0099 74 PHE D CA 10002 C C . PHE D 75 ? 0.2400 0.2826 0.3073 0.0439 0.0292 0.0134 74 PHE D C 10003 O O . PHE D 75 ? 0.2584 0.2919 0.3181 0.0496 0.0342 0.0133 74 PHE D O 10004 C CB . PHE D 75 ? 0.2491 0.2866 0.3134 0.0379 0.0196 0.0110 74 PHE D CB 10005 C CG . PHE D 75 ? 0.2571 0.2867 0.3149 0.0328 0.0151 0.0080 74 PHE D CG 10006 C CD1 . PHE D 75 ? 0.2654 0.2942 0.3218 0.0268 0.0130 0.0056 74 PHE D CD1 10007 C CD2 . PHE D 75 ? 0.2760 0.2994 0.3292 0.0343 0.0133 0.0079 74 PHE D CD2 10008 C CE1 . PHE D 75 ? 0.2795 0.3023 0.3308 0.0228 0.0095 0.0034 74 PHE D CE1 10009 C CE2 . PHE D 75 ? 0.2747 0.2921 0.3226 0.0296 0.0096 0.0056 74 PHE D CE2 10010 C CZ . PHE D 75 ? 0.2879 0.3056 0.3353 0.0240 0.0079 0.0035 74 PHE D CZ 10011 N N . PRO D 76 ? 0.2382 0.2969 0.3185 0.0428 0.0287 0.0167 75 PRO D N 10012 C CA . PRO D 76 ? 0.2345 0.3028 0.3222 0.0495 0.0340 0.0210 75 PRO D CA 10013 C C . PRO D 76 ? 0.2407 0.3069 0.3276 0.0576 0.0358 0.0233 75 PRO D C 10014 O O . PRO D 76 ? 0.2200 0.2818 0.3042 0.0569 0.0316 0.0225 75 PRO D O 10015 C CB . PRO D 76 ? 0.2323 0.3191 0.3345 0.0451 0.0309 0.0244 75 PRO D CB 10016 C CG . PRO D 76 ? 0.2261 0.3091 0.3250 0.0362 0.0261 0.0209 75 PRO D CG 10017 C CD . PRO D 76 ? 0.2235 0.2919 0.3114 0.0356 0.0235 0.0170 75 PRO D CD 10018 N N . ASP D 77 ? 0.2611 0.3303 0.3500 0.0657 0.0425 0.0264 76 ASP D N 10019 C CA . ASP D 77 ? 0.2990 0.3660 0.3869 0.0747 0.0451 0.0291 76 ASP D CA 10020 C C . ASP D 77 ? 0.2652 0.3450 0.3642 0.0738 0.0392 0.0325 76 ASP D C 10021 O O . ASP D 77 ? 0.2505 0.3484 0.3634 0.0706 0.0366 0.0360 76 ASP D O 10022 C CB . ASP D 77 ? 0.3724 0.4460 0.4648 0.0841 0.0534 0.0335 76 ASP D CB 10023 C CG . ASP D 77 ? 0.4634 0.5219 0.5424 0.0863 0.0602 0.0303 76 ASP D CG 10024 O OD1 . ASP D 77 ? 0.5436 0.5838 0.6076 0.0822 0.0585 0.0251 76 ASP D OD1 10025 O OD2 . ASP D 77 ? 0.5656 0.6308 0.6488 0.0920 0.0673 0.0334 76 ASP D OD2 10026 N N . GLY D 78 ? 0.2502 0.3199 0.3421 0.0767 0.0371 0.0318 77 GLY D N 10027 C CA . GLY D 78 ? 0.2443 0.3238 0.3445 0.0768 0.0316 0.0350 77 GLY D CA 10028 C C . GLY D 78 ? 0.2355 0.3193 0.3388 0.0665 0.0236 0.0331 77 GLY D C 10029 O O . GLY D 78 ? 0.2286 0.3228 0.3400 0.0653 0.0187 0.0362 77 GLY D O 10030 N N . VAL D 79 ? 0.2116 0.2868 0.3078 0.0594 0.0223 0.0281 78 VAL D N 10031 C CA . VAL D 79 ? 0.2085 0.2858 0.3059 0.0504 0.0157 0.0261 78 VAL D CA 10032 C C . VAL D 79 ? 0.2064 0.2667 0.2905 0.0478 0.0139 0.0213 78 VAL D C 10033 O O . VAL D 79 ? 0.2233 0.2714 0.2977 0.0486 0.0172 0.0183 78 VAL D O 10034 C CB . VAL D 79 ? 0.2035 0.2869 0.3050 0.0437 0.0153 0.0248 78 VAL D CB 10035 C CG1 . VAL D 79 ? 0.2075 0.2904 0.3080 0.0353 0.0090 0.0225 78 VAL D CG1 10036 C CG2 . VAL D 79 ? 0.2104 0.3115 0.3253 0.0451 0.0171 0.0298 78 VAL D CG2 10037 N N . ASP D 80 ? 0.1926 0.2524 0.2761 0.0445 0.0086 0.0210 79 ASP D N 10038 C CA . ASP D 80 ? 0.1852 0.2320 0.2582 0.0402 0.0064 0.0169 79 ASP D CA 10039 C C . ASP D 80 ? 0.1785 0.2301 0.2544 0.0325 0.0016 0.0155 79 ASP D C 10040 O O . ASP D 80 ? 0.1780 0.2395 0.2611 0.0308 -0.0018 0.0179 79 ASP D O 10041 C CB . ASP D 80 ? 0.1933 0.2316 0.2597 0.0431 0.0050 0.0172 79 ASP D CB 10042 C CG . ASP D 80 ? 0.2002 0.2247 0.2551 0.0387 0.0038 0.0131 79 ASP D CG 10043 O OD1 . ASP D 80 ? 0.2113 0.2273 0.2594 0.0383 0.0068 0.0106 79 ASP D OD1 10044 O OD2 . ASP D 80 ? 0.2028 0.2254 0.2555 0.0354 0.0000 0.0125 79 ASP D OD2 10045 N N . VAL D 81 ? 0.1713 0.2149 0.2405 0.0281 0.0013 0.0117 80 VAL D N 10046 C CA . VAL D 81 ? 0.1667 0.2123 0.2365 0.0216 -0.0024 0.0101 80 VAL D CA 10047 C C . VAL D 81 ? 0.1781 0.2134 0.2392 0.0195 -0.0039 0.0075 80 VAL D C 10048 O O . VAL D 81 ? 0.1853 0.2120 0.2396 0.0200 -0.0017 0.0056 80 VAL D O 10049 C CB . VAL D 81 ? 0.1680 0.2159 0.2394 0.0182 -0.0012 0.0087 80 VAL D CB 10050 C CG1 . VAL D 81 ? 0.1634 0.2113 0.2338 0.0123 -0.0046 0.0071 80 VAL D CG1 10051 C CG2 . VAL D 81 ? 0.1691 0.2278 0.2493 0.0195 0.0002 0.0116 80 VAL D CG2 10052 N N . ARG D 82 ? 0.1783 0.2145 0.2391 0.0169 -0.0075 0.0077 81 ARG D N 10053 C CA . ARG D 82 ? 0.1894 0.2174 0.2428 0.0146 -0.0087 0.0058 81 ARG D CA 10054 C C . ARG D 82 ? 0.1771 0.2067 0.2303 0.0097 -0.0110 0.0045 81 ARG D C 10055 O O . ARG D 82 ? 0.1758 0.2115 0.2334 0.0078 -0.0127 0.0053 81 ARG D O 10056 C CB . ARG D 82 ? 0.2166 0.2409 0.2668 0.0169 -0.0100 0.0072 81 ARG D CB 10057 C CG . ARG D 82 ? 0.2372 0.2668 0.2904 0.0158 -0.0136 0.0090 81 ARG D CG 10058 C CD . ARG D 82 ? 0.2649 0.2889 0.3130 0.0177 -0.0150 0.0102 81 ARG D CD 10059 N NE . ARG D 82 ? 0.2815 0.3111 0.3325 0.0164 -0.0190 0.0123 81 ARG D NE 10060 C CZ . ARG D 82 ? 0.3132 0.3418 0.3627 0.0186 -0.0211 0.0146 81 ARG D CZ 10061 N NH1 . ARG D 82 ? 0.3068 0.3278 0.3512 0.0227 -0.0194 0.0152 81 ARG D NH1 10062 N NH2 . ARG D 82 ? 0.3302 0.3643 0.3821 0.0166 -0.0252 0.0166 81 ARG D NH2 10063 N N . VAL D 83 ? 0.1710 0.1945 0.2185 0.0077 -0.0108 0.0027 82 VAL D N 10064 C CA . VAL D 83 ? 0.1706 0.1941 0.2166 0.0041 -0.0119 0.0014 82 VAL D CA 10065 C C . VAL D 83 ? 0.1721 0.1929 0.2143 0.0033 -0.0139 0.0019 82 VAL D C 10066 O O . VAL D 83 ? 0.1754 0.1914 0.2134 0.0036 -0.0133 0.0018 82 VAL D O 10067 C CB . VAL D 83 ? 0.1676 0.1877 0.2107 0.0027 -0.0101 -0.0002 82 VAL D CB 10068 C CG1 . VAL D 83 ? 0.1760 0.1961 0.2174 0.0002 -0.0105 -0.0011 82 VAL D CG1 10069 C CG2 . VAL D 83 ? 0.1705 0.1921 0.2161 0.0035 -0.0082 -0.0007 82 VAL D CG2 10070 N N . PRO D 84 ? 0.1815 0.2047 0.2243 0.0018 -0.0163 0.0027 83 PRO D N 10071 C CA . PRO D 84 ? 0.1894 0.2091 0.2272 0.0008 -0.0181 0.0031 83 PRO D CA 10072 C C . PRO D 84 ? 0.1955 0.2112 0.2283 -0.0013 -0.0169 0.0014 83 PRO D C 10073 O O . PRO D 84 ? 0.1923 0.2089 0.2260 -0.0022 -0.0154 0.0002 83 PRO D O 10074 C CB . PRO D 84 ? 0.1939 0.2175 0.2336 -0.0004 -0.0215 0.0046 83 PRO D CB 10075 C CG . PRO D 84 ? 0.1907 0.2182 0.2342 -0.0020 -0.0210 0.0039 83 PRO D CG 10076 C CD . PRO D 84 ? 0.1807 0.2095 0.2278 0.0003 -0.0179 0.0033 83 PRO D CD 10077 N N . GLY D 85 ? 0.2049 0.2166 0.2325 -0.0020 -0.0173 0.0017 84 GLY D N 10078 C CA . GLY D 85 ? 0.1996 0.2083 0.2223 -0.0037 -0.0161 0.0007 84 GLY D CA 10079 C C . GLY D 85 ? 0.2016 0.2102 0.2242 -0.0038 -0.0130 0.0001 84 GLY D C 10080 O O . GLY D 85 ? 0.1942 0.2021 0.2144 -0.0044 -0.0112 -0.0004 84 GLY D O 10081 N N . PHE D 86 ? 0.1965 0.2054 0.2210 -0.0032 -0.0123 0.0004 85 PHE D N 10082 C CA . PHE D 86 ? 0.1972 0.2068 0.2217 -0.0042 -0.0102 0.0003 85 PHE D CA 10083 C C . PHE D 86 ? 0.2055 0.2132 0.2256 -0.0057 -0.0094 0.0012 85 PHE D C 10084 O O . PHE D 86 ? 0.1973 0.2013 0.2137 -0.0060 -0.0105 0.0020 85 PHE D O 10085 C CB . PHE D 86 ? 0.2076 0.2162 0.2330 -0.0042 -0.0101 0.0005 85 PHE D CB 10086 C CG . PHE D 86 ? 0.2094 0.2197 0.2353 -0.0062 -0.0087 0.0008 85 PHE D CG 10087 C CD1 . PHE D 86 ? 0.2246 0.2338 0.2474 -0.0086 -0.0084 0.0020 85 PHE D CD1 10088 C CD2 . PHE D 86 ? 0.2089 0.2228 0.2384 -0.0059 -0.0079 0.0003 85 PHE D CD2 10089 C CE1 . PHE D 86 ? 0.2328 0.2455 0.2571 -0.0109 -0.0075 0.0030 85 PHE D CE1 10090 C CE2 . PHE D 86 ? 0.2114 0.2282 0.2418 -0.0078 -0.0071 0.0011 85 PHE D CE2 10091 C CZ . PHE D 86 ? 0.2206 0.2375 0.2490 -0.0104 -0.0071 0.0027 85 PHE D CZ 10092 N N . GLY D 87 ? 0.1934 0.2037 0.2138 -0.0061 -0.0071 0.0013 86 GLY D N 10093 C CA . GLY D 87 ? 0.2086 0.2181 0.2252 -0.0072 -0.0055 0.0024 86 GLY D CA 10094 C C . GLY D 87 ? 0.2107 0.2168 0.2224 -0.0064 -0.0051 0.0019 86 GLY D C 10095 O O . GLY D 87 ? 0.2209 0.2260 0.2287 -0.0067 -0.0030 0.0027 86 GLY D O 10096 N N . LYS D 88 ? 0.2116 0.2158 0.2229 -0.0056 -0.0072 0.0007 87 LYS D N 10097 C CA . LYS D 88 ? 0.2440 0.2436 0.2492 -0.0057 -0.0077 0.0001 87 LYS D CA 10098 C C . LYS D 88 ? 0.2356 0.2353 0.2414 -0.0047 -0.0064 -0.0011 87 LYS D C 10099 O O . LYS D 88 ? 0.2279 0.2318 0.2391 -0.0038 -0.0052 -0.0012 87 LYS D O 10100 C CB . LYS D 88 ? 0.2660 0.2632 0.2698 -0.0065 -0.0118 0.0003 87 LYS D CB 10101 C CG . LYS D 88 ? 0.2936 0.2902 0.2972 -0.0067 -0.0133 0.0016 87 LYS D CG 10102 C CD . LYS D 88 ? 0.3554 0.3482 0.3525 -0.0077 -0.0116 0.0024 87 LYS D CD 10103 C CE . LYS D 88 ? 0.4071 0.3974 0.4026 -0.0081 -0.0134 0.0039 87 LYS D CE 10104 N NZ . LYS D 88 ? 0.4346 0.4226 0.4252 -0.0096 -0.0109 0.0049 87 LYS D NZ 10105 N N . THR D 89 ? 0.2403 0.2343 0.2393 -0.0051 -0.0069 -0.0019 88 THR D N 10106 C CA . THR D 89 ? 0.2462 0.2380 0.2437 -0.0045 -0.0058 -0.0031 88 THR D CA 10107 C C . THR D 89 ? 0.2443 0.2333 0.2399 -0.0068 -0.0096 -0.0038 88 THR D C 10108 O O . THR D 89 ? 0.2192 0.2069 0.2146 -0.0070 -0.0094 -0.0047 88 THR D O 10109 C CB . THR D 89 ? 0.2747 0.2603 0.2637 -0.0028 -0.0017 -0.0035 88 THR D CB 10110 O OG1 . THR D 89 ? 0.2896 0.2675 0.2689 -0.0045 -0.0030 -0.0038 88 THR D OG1 10111 C CG2 . THR D 89 ? 0.2857 0.2764 0.2782 -0.0004 0.0024 -0.0021 88 THR D CG2 10112 N N . PHE D 90 ? 0.2413 0.2300 0.2359 -0.0088 -0.0135 -0.0031 89 PHE D N 10113 C CA . PHE D 90 ? 0.2538 0.2408 0.2464 -0.0118 -0.0176 -0.0030 89 PHE D CA 10114 C C . PHE D 90 ? 0.2435 0.2363 0.2442 -0.0121 -0.0186 -0.0030 89 PHE D C 10115 O O . PHE D 90 ? 0.2461 0.2364 0.2440 -0.0147 -0.0204 -0.0034 89 PHE D O 10116 C CB . PHE D 90 ? 0.2713 0.2592 0.2633 -0.0135 -0.0219 -0.0014 89 PHE D CB 10117 C CG . PHE D 90 ? 0.2758 0.2718 0.2776 -0.0118 -0.0232 0.0000 89 PHE D CG 10118 C CD1 . PHE D 90 ? 0.2843 0.2870 0.2938 -0.0122 -0.0258 0.0011 89 PHE D CD1 10119 C CD2 . PHE D 90 ? 0.2859 0.2824 0.2885 -0.0098 -0.0216 0.0006 89 PHE D CD2 10120 C CE1 . PHE D 90 ? 0.2845 0.2935 0.3019 -0.0098 -0.0262 0.0026 89 PHE D CE1 10121 C CE2 . PHE D 90 ? 0.2911 0.2924 0.3004 -0.0080 -0.0227 0.0020 89 PHE D CE2 10122 C CZ . PHE D 90 ? 0.2835 0.2909 0.3001 -0.0075 -0.0247 0.0029 89 PHE D CZ 10123 N N . SER D 91 ? 0.2322 0.2319 0.2417 -0.0099 -0.0174 -0.0025 90 SER D N 10124 C CA . SER D 91 ? 0.2326 0.2381 0.2497 -0.0101 -0.0182 -0.0022 90 SER D CA 10125 C C . SER D 91 ? 0.2248 0.2288 0.2417 -0.0096 -0.0156 -0.0035 90 SER D C 10126 O O . SER D 91 ? 0.2002 0.2074 0.2214 -0.0105 -0.0162 -0.0034 90 SER D O 10127 C CB . SER D 91 ? 0.2254 0.2371 0.2503 -0.0078 -0.0180 -0.0012 90 SER D CB 10128 O OG . SER D 91 ? 0.2349 0.2466 0.2609 -0.0058 -0.0147 -0.0019 90 SER D OG 10129 N N . LEU D 92 ? 0.2200 0.2195 0.2320 -0.0080 -0.0123 -0.0045 91 LEU D N 10130 C CA . LEU D 92 ? 0.2332 0.2295 0.2430 -0.0072 -0.0099 -0.0054 91 LEU D CA 10131 C C . LEU D 92 ? 0.2258 0.2121 0.2245 -0.0083 -0.0095 -0.0064 91 LEU D C 10132 O O . LEU D 92 ? 0.2281 0.2101 0.2236 -0.0083 -0.0083 -0.0072 91 LEU D O 10133 C CB . LEU D 92 ? 0.2645 0.2641 0.2781 -0.0039 -0.0064 -0.0053 91 LEU D CB 10134 C CG . LEU D 92 ? 0.2956 0.2974 0.3098 -0.0021 -0.0045 -0.0045 91 LEU D CG 10135 C CD1 . LEU D 92 ? 0.3409 0.3358 0.3463 -0.0011 -0.0022 -0.0048 91 LEU D CD1 10136 C CD2 . LEU D 92 ? 0.2945 0.3017 0.3145 -0.0001 -0.0023 -0.0038 91 LEU D CD2 10137 N N . GLU D 93 ? 0.2176 0.1989 0.2092 -0.0095 -0.0106 -0.0065 92 GLU D N 10138 C CA . GLU D 93 ? 0.2339 0.2035 0.2126 -0.0113 -0.0105 -0.0075 92 GLU D CA 10139 C C . GLU D 93 ? 0.2359 0.2035 0.2129 -0.0162 -0.0149 -0.0076 92 GLU D C 10140 O O . GLU D 93 ? 0.2450 0.2039 0.2138 -0.0176 -0.0144 -0.0086 92 GLU D O 10141 C CB . GLU D 93 ? 0.2375 0.2013 0.2078 -0.0118 -0.0108 -0.0075 92 GLU D CB 10142 C CG . GLU D 93 ? 0.2454 0.2091 0.2145 -0.0073 -0.0057 -0.0074 92 GLU D CG 10143 C CD . GLU D 93 ? 0.2567 0.2132 0.2156 -0.0080 -0.0055 -0.0074 92 GLU D CD 10144 O OE1 . GLU D 93 ? 0.2760 0.2206 0.2219 -0.0094 -0.0053 -0.0085 92 GLU D OE1 10145 O OE2 . GLU D 93 ? 0.2602 0.2218 0.2230 -0.0074 -0.0054 -0.0063 92 GLU D OE2 10146 N N . PHE D 94 ? 0.2393 0.2150 0.2238 -0.0187 -0.0190 -0.0061 93 PHE D N 10147 C CA . PHE D 94 ? 0.2581 0.2352 0.2432 -0.0240 -0.0238 -0.0051 93 PHE D CA 10148 C C . PHE D 94 ? 0.2492 0.2393 0.2485 -0.0233 -0.0247 -0.0036 93 PHE D C 10149 O O . PHE D 94 ? 0.2323 0.2298 0.2389 -0.0211 -0.0251 -0.0024 93 PHE D O 10150 C CB . PHE D 94 ? 0.2886 0.2640 0.2688 -0.0277 -0.0284 -0.0040 93 PHE D CB 10151 C CG . PHE D 94 ? 0.3264 0.2874 0.2904 -0.0293 -0.0280 -0.0055 93 PHE D CG 10152 C CD1 . PHE D 94 ? 0.3463 0.2965 0.2994 -0.0332 -0.0288 -0.0066 93 PHE D CD1 10153 C CD2 . PHE D 94 ? 0.3537 0.3108 0.3122 -0.0272 -0.0267 -0.0057 93 PHE D CD2 10154 C CE1 . PHE D 94 ? 0.3798 0.3146 0.3159 -0.0344 -0.0280 -0.0081 93 PHE D CE1 10155 C CE2 . PHE D 94 ? 0.3720 0.3148 0.3143 -0.0284 -0.0258 -0.0071 93 PHE D CE2 10156 C CZ . PHE D 94 ? 0.3843 0.3157 0.3152 -0.0318 -0.0264 -0.0083 93 PHE D CZ 10157 N N . LEU D 95 ? 0.2377 0.2295 0.2399 -0.0250 -0.0247 -0.0035 94 LEU D N 10158 C CA . LEU D 95 ? 0.2284 0.2318 0.2431 -0.0243 -0.0250 -0.0020 94 LEU D CA 10159 C C . LEU D 95 ? 0.2418 0.2531 0.2617 -0.0279 -0.0298 0.0007 94 LEU D C 10160 O O . LEU D 95 ? 0.2360 0.2576 0.2663 -0.0257 -0.0300 0.0025 94 LEU D O 10161 C CB . LEU D 95 ? 0.2320 0.2344 0.2475 -0.0250 -0.0230 -0.0026 94 LEU D CB 10162 C CG . LEU D 95 ? 0.2399 0.2355 0.2508 -0.0211 -0.0186 -0.0047 94 LEU D CG 10163 C CD1 . LEU D 95 ? 0.2523 0.2462 0.2632 -0.0221 -0.0172 -0.0050 94 LEU D CD1 10164 C CD2 . LEU D 95 ? 0.2456 0.2466 0.2629 -0.0160 -0.0159 -0.0047 94 LEU D CD2 10165 N N . ASP D 96 ? 0.2477 0.2536 0.2597 -0.0334 -0.0336 0.0011 95 ASP D N 10166 C CA . ASP D 96 ? 0.2796 0.2932 0.2958 -0.0377 -0.0391 0.0043 95 ASP D CA 10167 C C . ASP D 96 ? 0.2844 0.2943 0.2949 -0.0374 -0.0415 0.0046 95 ASP D C 10168 O O . ASP D 96 ? 0.3010 0.2984 0.2982 -0.0395 -0.0418 0.0027 95 ASP D O 10169 C CB . ASP D 96 ? 0.3059 0.3157 0.3162 -0.0453 -0.0427 0.0050 95 ASP D CB 10170 C CG . ASP D 96 ? 0.3521 0.3734 0.3696 -0.0504 -0.0486 0.0092 95 ASP D CG 10171 O OD1 . ASP D 96 ? 0.3687 0.3965 0.3908 -0.0486 -0.0510 0.0113 95 ASP D OD1 10172 O OD2 . ASP D 96 ? 0.4049 0.4290 0.4237 -0.0563 -0.0509 0.0108 95 ASP D OD2 10173 N N . PRO D 97 ? 0.3039 0.3234 0.3231 -0.0346 -0.0429 0.0069 96 PRO D N 10174 C CA . PRO D 97 ? 0.3326 0.3484 0.3460 -0.0344 -0.0454 0.0075 96 PRO D CA 10175 C C . PRO D 97 ? 0.3520 0.3633 0.3565 -0.0414 -0.0515 0.0089 96 PRO D C 10176 O O . PRO D 97 ? 0.3698 0.3745 0.3659 -0.0417 -0.0531 0.0087 96 PRO D O 10177 C CB . PRO D 97 ? 0.3347 0.3624 0.3599 -0.0300 -0.0460 0.0104 96 PRO D CB 10178 C CG . PRO D 97 ? 0.3137 0.3508 0.3505 -0.0276 -0.0434 0.0112 96 PRO D CG 10179 C CD . PRO D 97 ? 0.3153 0.3488 0.3490 -0.0315 -0.0424 0.0096 96 PRO D CD 10180 N N . SER D 98 ? 0.3489 0.3626 0.3538 -0.0474 -0.0548 0.0103 97 SER D N 10181 C CA . SER D 98 ? 0.4107 0.4165 0.4036 -0.0553 -0.0605 0.0110 97 SER D CA 10182 C C . SER D 98 ? 0.4143 0.4003 0.3887 -0.0563 -0.0577 0.0067 97 SER D C 10183 O O . SER D 98 ? 0.4040 0.3793 0.3646 -0.0621 -0.0616 0.0066 97 SER D O 10184 C CB . SER D 98 ? 0.4138 0.4258 0.4107 -0.0624 -0.0644 0.0134 97 SER D CB 10185 O OG . SER D 98 ? 0.4581 0.4612 0.4493 -0.0631 -0.0604 0.0103 97 SER D OG 10186 N N . LYS D 99 ? 0.4001 0.3815 0.3743 -0.0506 -0.0509 0.0036 98 LYS D N 10187 C CA . LYS D 99 ? 0.4038 0.3682 0.3627 -0.0494 -0.0467 0.0000 98 LYS D CA 10188 C C . LYS D 99 ? 0.4160 0.3692 0.3636 -0.0553 -0.0479 -0.0011 98 LYS D C 10189 O O . LYS D 99 ? 0.4324 0.3688 0.3634 -0.0559 -0.0460 -0.0036 98 LYS D O 10190 C CB . LYS D 99 ? 0.4214 0.3768 0.3692 -0.0486 -0.0470 -0.0007 98 LYS D CB 10191 C CG . LYS D 99 ? 0.4255 0.3902 0.3832 -0.0427 -0.0452 0.0001 98 LYS D CG 10192 C CD . LYS D 99 ? 0.4651 0.4200 0.4109 -0.0419 -0.0447 -0.0006 98 LYS D CD 10193 C CE . LYS D 99 ? 0.4788 0.4418 0.4336 -0.0363 -0.0425 0.0002 98 LYS D CE 10194 N NZ . LYS D 99 ? 0.5328 0.4858 0.4754 -0.0356 -0.0415 -0.0005 98 LYS D NZ 10195 N N . SER D 100 ? 0.4075 0.3697 0.3637 -0.0594 -0.0507 0.0008 99 SER D N 10196 C CA . SER D 100 ? 0.4268 0.3795 0.3738 -0.0654 -0.0517 0.0001 99 SER D CA 10197 C C . SER D 100 ? 0.4001 0.3415 0.3404 -0.0603 -0.0448 -0.0032 99 SER D C 10198 O O . SER D 100 ? 0.3601 0.3082 0.3101 -0.0528 -0.0397 -0.0040 99 SER D O 10199 C CB . SER D 100 ? 0.4443 0.4123 0.4055 -0.0695 -0.0548 0.0033 99 SER D CB 10200 O OG . SER D 100 ? 0.5252 0.4842 0.4783 -0.0747 -0.0548 0.0025 99 SER D OG 10201 N N . SER D 101 ? 0.3989 0.3230 0.3223 -0.0644 -0.0448 -0.0050 100 SER D N 10202 C CA . SER D 101 ? 0.4097 0.3216 0.3252 -0.0593 -0.0383 -0.0078 100 SER D CA 10203 C C . SER D 101 ? 0.3941 0.3168 0.3234 -0.0563 -0.0355 -0.0073 100 SER D C 10204 O O . SER D 101 ? 0.3735 0.2932 0.3031 -0.0494 -0.0297 -0.0090 100 SER D O 10205 C CB . SER D 101 ? 0.4620 0.3520 0.3555 -0.0648 -0.0392 -0.0095 100 SER D CB 10206 O OG . SER D 101 ? 0.4763 0.3682 0.3702 -0.0739 -0.0445 -0.0076 100 SER D OG 10207 N N . VAL D 102 ? 0.3929 0.3285 0.3335 -0.0615 -0.0396 -0.0046 101 VAL D N 10208 C CA . VAL D 102 ? 0.3952 0.3421 0.3495 -0.0592 -0.0371 -0.0038 101 VAL D CA 10209 C C . VAL D 102 ? 0.3609 0.3178 0.3274 -0.0498 -0.0324 -0.0044 101 VAL D C 10210 O O . VAL D 102 ? 0.3636 0.3222 0.3347 -0.0456 -0.0283 -0.0051 101 VAL D O 10211 C CB . VAL D 102 ? 0.4188 0.3811 0.3854 -0.0657 -0.0420 -0.0001 101 VAL D CB 10212 C CG1 . VAL D 102 ? 0.4313 0.4107 0.4125 -0.0635 -0.0442 0.0022 101 VAL D CG1 10213 C CG2 . VAL D 102 ? 0.4351 0.4037 0.4104 -0.0645 -0.0390 0.0003 101 VAL D CG2 10214 N N . GLY D 103 ? 0.3185 0.2809 0.2890 -0.0470 -0.0330 -0.0040 102 GLY D N 10215 C CA . GLY D 103 ? 0.2989 0.2695 0.2794 -0.0394 -0.0290 -0.0045 102 GLY D CA 10216 C C . GLY D 103 ? 0.2965 0.2580 0.2690 -0.0339 -0.0249 -0.0066 102 GLY D C 10217 O O . GLY D 103 ? 0.2799 0.2484 0.2601 -0.0287 -0.0224 -0.0066 102 GLY D O 10218 N N . SER D 104 ? 0.2885 0.2343 0.2453 -0.0352 -0.0240 -0.0082 103 SER D N 10219 C CA . SER D 104 ? 0.2949 0.2330 0.2443 -0.0295 -0.0196 -0.0098 103 SER D CA 10220 C C . SER D 104 ? 0.2839 0.2237 0.2379 -0.0231 -0.0142 -0.0104 103 SER D C 10221 O O . SER D 104 ? 0.3012 0.2342 0.2502 -0.0233 -0.0127 -0.0110 103 SER D O 10222 C CB . SER D 104 ? 0.3191 0.2385 0.2486 -0.0321 -0.0196 -0.0113 103 SER D CB 10223 O OG . SER D 104 ? 0.3301 0.2428 0.2530 -0.0258 -0.0144 -0.0125 103 SER D OG 10224 N N . TYR D 105 ? 0.2619 0.2107 0.2249 -0.0179 -0.0114 -0.0100 104 TYR D N 10225 C CA . TYR D 105 ? 0.2351 0.1887 0.2050 -0.0127 -0.0074 -0.0099 104 TYR D CA 10226 C C . TYR D 105 ? 0.2378 0.1888 0.2044 -0.0068 -0.0026 -0.0101 104 TYR D C 10227 O O . TYR D 105 ? 0.2558 0.1972 0.2133 -0.0037 0.0009 -0.0107 104 TYR D O 10228 C CB . TYR D 105 ? 0.2201 0.1885 0.2053 -0.0128 -0.0090 -0.0087 104 TYR D CB 10229 C CG . TYR D 105 ? 0.2031 0.1772 0.1956 -0.0085 -0.0058 -0.0083 104 TYR D CG 10230 C CD1 . TYR D 105 ? 0.2159 0.1841 0.2042 -0.0068 -0.0035 -0.0087 104 TYR D CD1 10231 C CD2 . TYR D 105 ? 0.1901 0.1747 0.1929 -0.0064 -0.0055 -0.0075 104 TYR D CD2 10232 C CE1 . TYR D 105 ? 0.2082 0.1822 0.2033 -0.0031 -0.0012 -0.0080 104 TYR D CE1 10233 C CE2 . TYR D 105 ? 0.1947 0.1841 0.2033 -0.0033 -0.0032 -0.0070 104 TYR D CE2 10234 C CZ . TYR D 105 ? 0.2001 0.1848 0.2052 -0.0016 -0.0012 -0.0071 104 TYR D CZ 10235 O OH . TYR D 105 ? 0.2110 0.2012 0.2220 0.0012 0.0003 -0.0062 104 TYR D OH 10236 N N . PHE D 106 ? 0.2374 0.1971 0.2112 -0.0050 -0.0023 -0.0092 105 PHE D N 10237 C CA . PHE D 106 ? 0.2318 0.1902 0.2028 -0.0002 0.0022 -0.0089 105 PHE D CA 10238 C C . PHE D 106 ? 0.2389 0.1871 0.1974 -0.0011 0.0025 -0.0096 105 PHE D C 10239 O O . PHE D 106 ? 0.2356 0.1823 0.1909 0.0027 0.0066 -0.0092 105 PHE D O 10240 C CB . PHE D 106 ? 0.2317 0.2030 0.2147 0.0014 0.0026 -0.0074 105 PHE D CB 10241 C CG . PHE D 106 ? 0.2344 0.2134 0.2261 0.0047 0.0047 -0.0064 105 PHE D CG 10242 C CD1 . PHE D 106 ? 0.2458 0.2263 0.2375 0.0095 0.0093 -0.0051 105 PHE D CD1 10243 C CD2 . PHE D 106 ? 0.2414 0.2269 0.2414 0.0029 0.0023 -0.0062 105 PHE D CD2 10244 C CE1 . PHE D 106 ? 0.2382 0.2268 0.2383 0.0121 0.0106 -0.0036 105 PHE D CE1 10245 C CE2 . PHE D 106 ? 0.2474 0.2394 0.2543 0.0055 0.0039 -0.0051 105 PHE D CE2 10246 C CZ . PHE D 106 ? 0.2348 0.2285 0.2419 0.0098 0.0076 -0.0038 105 PHE D CZ 10247 N N . HIS D 107 ? 0.2433 0.1846 0.1945 -0.0065 -0.0017 -0.0104 106 HIS D N 10248 C CA . HIS D 107 ? 0.2525 0.1837 0.1910 -0.0082 -0.0022 -0.0111 106 HIS D CA 10249 C C . HIS D 107 ? 0.2619 0.1796 0.1862 -0.0040 0.0034 -0.0120 106 HIS D C 10250 O O . HIS D 107 ? 0.2637 0.1785 0.1828 -0.0017 0.0063 -0.0118 106 HIS D O 10251 C CB . HIS D 107 ? 0.2545 0.1802 0.1866 -0.0154 -0.0084 -0.0114 106 HIS D CB 10252 C CG . HIS D 107 ? 0.2834 0.2001 0.2033 -0.0179 -0.0100 -0.0117 106 HIS D CG 10253 N ND1 . HIS D 107 ? 0.2791 0.2013 0.2024 -0.0164 -0.0097 -0.0108 106 HIS D ND1 10254 C CD2 . HIS D 107 ? 0.3023 0.2042 0.2057 -0.0224 -0.0123 -0.0128 106 HIS D CD2 10255 C CE1 . HIS D 107 ? 0.2967 0.2080 0.2063 -0.0194 -0.0115 -0.0113 106 HIS D CE1 10256 N NE2 . HIS D 107 ? 0.3121 0.2110 0.2094 -0.0232 -0.0133 -0.0125 106 HIS D NE2 10257 N N . THR D 108 ? 0.2692 0.1780 0.1867 -0.0027 0.0054 -0.0129 107 THR D N 10258 C CA . THR D 108 ? 0.2964 0.1909 0.1993 0.0023 0.0115 -0.0136 107 THR D CA 10259 C C . THR D 108 ? 0.2891 0.1922 0.1994 0.0100 0.0178 -0.0120 107 THR D C 10260 O O . THR D 108 ? 0.2983 0.1946 0.1994 0.0137 0.0224 -0.0119 107 THR D O 10261 C CB . THR D 108 ? 0.3169 0.2003 0.2118 0.0031 0.0127 -0.0145 107 THR D CB 10262 O OG1 . THR D 108 ? 0.3330 0.2083 0.2203 -0.0050 0.0067 -0.0157 107 THR D OG1 10263 C CG2 . THR D 108 ? 0.3472 0.2143 0.2257 0.0091 0.0194 -0.0152 107 THR D CG2 10264 N N . MET D 109 ? 0.2758 0.1944 0.2026 0.0121 0.0179 -0.0104 108 MET D N 10265 C CA . MET D 109 ? 0.2743 0.2033 0.2097 0.0183 0.0230 -0.0082 108 MET D CA 10266 C C . MET D 109 ? 0.2725 0.2073 0.2104 0.0172 0.0230 -0.0074 108 MET D C 10267 O O . MET D 109 ? 0.2817 0.2177 0.2181 0.0219 0.0284 -0.0059 108 MET D O 10268 C CB . MET D 109 ? 0.2712 0.2151 0.2229 0.0193 0.0219 -0.0066 108 MET D CB 10269 C CG . MET D 109 ? 0.2819 0.2388 0.2441 0.0243 0.0260 -0.0037 108 MET D CG 10270 S SD . MET D 109 ? 0.2898 0.2623 0.2687 0.0249 0.0242 -0.0018 108 MET D SD 10271 C CE . MET D 109 ? 0.2899 0.2523 0.2615 0.0292 0.0267 -0.0021 108 MET D CE 10272 N N . VAL D 110 ? 0.2573 0.1967 0.1998 0.0114 0.0173 -0.0079 109 VAL D N 10273 C CA . VAL D 110 ? 0.2542 0.1984 0.1987 0.0101 0.0169 -0.0070 109 VAL D CA 10274 C C . VAL D 110 ? 0.2740 0.2040 0.2018 0.0102 0.0191 -0.0080 109 VAL D C 10275 O O . VAL D 110 ? 0.2818 0.2138 0.2085 0.0125 0.0228 -0.0067 109 VAL D O 10276 C CB . VAL D 110 ? 0.2455 0.1977 0.1989 0.0047 0.0104 -0.0070 109 VAL D CB 10277 C CG1 . VAL D 110 ? 0.2441 0.1990 0.1975 0.0035 0.0100 -0.0060 109 VAL D CG1 10278 C CG2 . VAL D 110 ? 0.2268 0.1921 0.1953 0.0054 0.0095 -0.0059 109 VAL D CG2 10279 N N . GLU D 111 ? 0.2778 0.1934 0.1921 0.0074 0.0170 -0.0100 110 GLU D N 10280 C CA . GLU D 111 ? 0.2955 0.1944 0.1907 0.0077 0.0195 -0.0112 110 GLU D CA 10281 C C . GLU D 111 ? 0.3028 0.1983 0.1931 0.0157 0.0285 -0.0102 110 GLU D C 10282 O O . GLU D 111 ? 0.2976 0.1891 0.1804 0.0175 0.0323 -0.0097 110 GLU D O 10283 C CB . GLU D 111 ? 0.3200 0.2025 0.2002 0.0036 0.0163 -0.0134 110 GLU D CB 10284 C CG . GLU D 111 ? 0.3274 0.2110 0.2086 -0.0047 0.0077 -0.0138 110 GLU D CG 10285 C CD . GLU D 111 ? 0.3399 0.2187 0.2127 -0.0082 0.0052 -0.0138 110 GLU D CD 10286 O OE1 . GLU D 111 ? 0.3606 0.2218 0.2140 -0.0098 0.0057 -0.0152 110 GLU D OE1 10287 O OE2 . GLU D 111 ? 0.3467 0.2384 0.2313 -0.0090 0.0028 -0.0123 110 GLU D OE2 10288 N N . SER D 112 ? 0.3010 0.1994 0.1963 0.0207 0.0320 -0.0096 111 SER D N 10289 C CA . SER D 112 ? 0.3165 0.2152 0.2103 0.0293 0.0407 -0.0077 111 SER D CA 10290 C C . SER D 112 ? 0.3062 0.2219 0.2135 0.0317 0.0436 -0.0047 111 SER D C 10291 O O . SER D 112 ? 0.3168 0.2297 0.2178 0.0361 0.0499 -0.0035 111 SER D O 10292 C CB . SER D 112 ? 0.3270 0.2274 0.2255 0.0340 0.0429 -0.0071 111 SER D CB 10293 O OG . SER D 112 ? 0.3715 0.2525 0.2533 0.0331 0.0424 -0.0096 111 SER D OG 10294 N N . LEU D 113 ? 0.2861 0.2184 0.2108 0.0287 0.0393 -0.0035 112 LEU D N 10295 C CA . LEU D 113 ? 0.2866 0.2345 0.2237 0.0294 0.0410 -0.0006 112 LEU D CA 10296 C C . LEU D 113 ? 0.2881 0.2315 0.2173 0.0269 0.0415 -0.0007 112 LEU D C 10297 O O . LEU D 113 ? 0.2883 0.2366 0.2185 0.0301 0.0470 0.0016 112 LEU D O 10298 C CB . LEU D 113 ? 0.2833 0.2457 0.2367 0.0251 0.0352 0.0000 112 LEU D CB 10299 C CG . LEU D 113 ? 0.2933 0.2643 0.2572 0.0279 0.0354 0.0012 112 LEU D CG 10300 C CD1 . LEU D 113 ? 0.2976 0.2773 0.2728 0.0227 0.0289 0.0007 112 LEU D CD1 10301 C CD2 . LEU D 113 ? 0.2943 0.2776 0.2670 0.0332 0.0410 0.0051 112 LEU D CD2 10302 N N . VAL D 114 ? 0.2863 0.2209 0.2080 0.0210 0.0357 -0.0032 113 VAL D N 10303 C CA . VAL D 114 ? 0.2966 0.2257 0.2097 0.0182 0.0352 -0.0033 113 VAL D CA 10304 C C . VAL D 114 ? 0.3265 0.2414 0.2224 0.0227 0.0423 -0.0037 113 VAL D C 10305 O O . VAL D 114 ? 0.3235 0.2391 0.2160 0.0239 0.0463 -0.0022 113 VAL D O 10306 C CB . VAL D 114 ? 0.2984 0.2220 0.2079 0.0112 0.0268 -0.0054 113 VAL D CB 10307 C CG1 . VAL D 114 ? 0.3246 0.2385 0.2211 0.0083 0.0260 -0.0058 113 VAL D CG1 10308 C CG2 . VAL D 114 ? 0.2764 0.2150 0.2029 0.0080 0.0216 -0.0044 113 VAL D CG2 10309 N N . GLY D 115 ? 0.3372 0.2383 0.2212 0.0252 0.0442 -0.0055 114 GLY D N 10310 C CA . GLY D 115 ? 0.3713 0.2578 0.2381 0.0307 0.0519 -0.0058 114 GLY D CA 10311 C C . GLY D 115 ? 0.3744 0.2718 0.2489 0.0387 0.0609 -0.0023 114 GLY D C 10312 O O . GLY D 115 ? 0.4072 0.2966 0.2701 0.0428 0.0678 -0.0016 114 GLY D O 10313 N N . TRP D 116 ? 0.3511 0.2669 0.2450 0.0407 0.0608 0.0001 115 TRP D N 10314 C CA . TRP D 116 ? 0.3475 0.2778 0.2523 0.0472 0.0681 0.0043 115 TRP D CA 10315 C C . TRP D 116 ? 0.3518 0.2965 0.2668 0.0439 0.0678 0.0069 115 TRP D C 10316 O O . TRP D 116 ? 0.3637 0.3217 0.2880 0.0482 0.0736 0.0110 115 TRP D O 10317 C CB . TRP D 116 ? 0.3379 0.2820 0.2586 0.0502 0.0675 0.0062 115 TRP D CB 10318 C CG . TRP D 116 ? 0.3403 0.2716 0.2523 0.0537 0.0680 0.0042 115 TRP D CG 10319 C CD1 . TRP D 116 ? 0.3705 0.2803 0.2618 0.0572 0.0721 0.0019 115 TRP D CD1 10320 C CD2 . TRP D 116 ? 0.3330 0.2707 0.2551 0.0541 0.0648 0.0044 115 TRP D CD2 10321 N NE1 . TRP D 116 ? 0.3760 0.2783 0.2641 0.0595 0.0713 0.0007 115 TRP D NE1 10322 C CE2 . TRP D 116 ? 0.3521 0.2716 0.2592 0.0575 0.0666 0.0022 115 TRP D CE2 10323 C CE3 . TRP D 116 ? 0.3202 0.2757 0.2609 0.0513 0.0601 0.0061 115 TRP D CE3 10324 C CZ2 . TRP D 116 ? 0.3535 0.2731 0.2647 0.0584 0.0643 0.0018 115 TRP D CZ2 10325 C CZ3 . TRP D 116 ? 0.3215 0.2773 0.2663 0.0523 0.0578 0.0057 115 TRP D CZ3 10326 C CH2 . TRP D 116 ? 0.3424 0.2806 0.2727 0.0559 0.0599 0.0036 115 TRP D CH2 10327 N N . GLY D 117 ? 0.3394 0.2814 0.2526 0.0363 0.0611 0.0050 116 GLY D N 10328 C CA . GLY D 117 ? 0.3390 0.2911 0.2586 0.0328 0.0607 0.0073 116 GLY D CA 10329 C C . GLY D 117 ? 0.3127 0.2780 0.2476 0.0267 0.0533 0.0078 116 GLY D C 10330 O O . GLY D 117 ? 0.3088 0.2818 0.2487 0.0235 0.0529 0.0099 116 GLY D O 10331 N N . TYR D 118 ? 0.2930 0.2599 0.2342 0.0249 0.0478 0.0061 117 TYR D N 10332 C CA . TYR D 118 ? 0.2705 0.2477 0.2243 0.0196 0.0410 0.0063 117 TYR D CA 10333 C C . TYR D 118 ? 0.2835 0.2523 0.2303 0.0139 0.0349 0.0041 117 TYR D C 10334 O O . TYR D 118 ? 0.2935 0.2482 0.2264 0.0134 0.0343 0.0018 117 TYR D O 10335 C CB . TYR D 118 ? 0.2567 0.2382 0.2191 0.0201 0.0378 0.0054 117 TYR D CB 10336 C CG . TYR D 118 ? 0.2515 0.2462 0.2253 0.0244 0.0419 0.0087 117 TYR D CG 10337 C CD1 . TYR D 118 ? 0.2665 0.2585 0.2363 0.0313 0.0484 0.0097 117 TYR D CD1 10338 C CD2 . TYR D 118 ? 0.2423 0.2518 0.2303 0.0216 0.0395 0.0111 117 TYR D CD2 10339 C CE1 . TYR D 118 ? 0.2573 0.2628 0.2383 0.0357 0.0522 0.0134 117 TYR D CE1 10340 C CE2 . TYR D 118 ? 0.2351 0.2578 0.2338 0.0249 0.0427 0.0146 117 TYR D CE2 10341 C CZ . TYR D 118 ? 0.2454 0.2670 0.2414 0.0321 0.0490 0.0160 117 TYR D CZ 10342 O OH . TYR D 118 ? 0.2460 0.2821 0.2534 0.0359 0.0522 0.0203 117 TYR D OH 10343 N N . THR D 119 ? 0.2695 0.2466 0.2257 0.0096 0.0301 0.0049 118 THR D N 10344 C CA . THR D 119 ? 0.2745 0.2460 0.2265 0.0047 0.0241 0.0036 118 THR D CA 10345 C C . THR D 119 ? 0.2542 0.2311 0.2160 0.0021 0.0180 0.0027 118 THR D C 10346 O O . THR D 119 ? 0.2362 0.2235 0.2090 0.0015 0.0176 0.0042 118 THR D O 10347 C CB . THR D 119 ? 0.2877 0.2624 0.2396 0.0024 0.0251 0.0058 118 THR D CB 10348 O OG1 . THR D 119 ? 0.3149 0.2845 0.2573 0.0049 0.0313 0.0067 118 THR D OG1 10349 C CG2 . THR D 119 ? 0.2933 0.2620 0.2406 -0.0018 0.0189 0.0048 118 THR D CG2 10350 N N . ARG D 120 ? 0.2499 0.2197 0.2071 0.0003 0.0132 0.0005 119 ARG D N 10351 C CA . ARG D 120 ? 0.2384 0.2129 0.2042 -0.0016 0.0078 -0.0001 119 ARG D CA 10352 C C . ARG D 120 ? 0.2390 0.2197 0.2116 -0.0038 0.0051 0.0012 119 ARG D C 10353 O O . ARG D 120 ? 0.2426 0.2197 0.2099 -0.0056 0.0039 0.0019 119 ARG D O 10354 C CB . ARG D 120 ? 0.2445 0.2113 0.2040 -0.0040 0.0028 -0.0018 119 ARG D CB 10355 C CG . ARG D 120 ? 0.2455 0.2054 0.1989 -0.0028 0.0040 -0.0035 119 ARG D CG 10356 C CD . ARG D 120 ? 0.2475 0.1997 0.1934 -0.0067 -0.0014 -0.0047 119 ARG D CD 10357 N NE . ARG D 120 ? 0.2528 0.1984 0.1933 -0.0067 -0.0012 -0.0063 119 ARG D NE 10358 C CZ . ARG D 120 ? 0.2697 0.2024 0.1958 -0.0064 0.0011 -0.0075 119 ARG D CZ 10359 N NH1 . ARG D 120 ? 0.2835 0.2085 0.1986 -0.0058 0.0036 -0.0075 119 ARG D NH1 10360 N NH2 . ARG D 120 ? 0.2797 0.2062 0.2014 -0.0067 0.0010 -0.0089 119 ARG D NH2 10361 N N . GLY D 121 ? 0.2284 0.2173 0.2115 -0.0037 0.0043 0.0017 120 GLY D N 10362 C CA . GLY D 121 ? 0.2322 0.2252 0.2205 -0.0059 0.0017 0.0029 120 GLY D CA 10363 C C . GLY D 121 ? 0.2369 0.2341 0.2266 -0.0068 0.0047 0.0051 120 GLY D C 10364 O O . GLY D 121 ? 0.2529 0.2521 0.2455 -0.0090 0.0029 0.0062 120 GLY D O 10365 N N A GLU D 122 ? 0.2271 0.2251 0.2141 -0.0051 0.0096 0.0060 121 GLU D N 10366 N N B GLU D 122 ? 0.2422 0.2406 0.2297 -0.0050 0.0096 0.0060 121 GLU D N 10367 C CA A GLU D 122 ? 0.2176 0.2216 0.2069 -0.0061 0.0130 0.0088 121 GLU D CA 10368 C CA B GLU D 122 ? 0.2414 0.2454 0.2310 -0.0062 0.0128 0.0087 121 GLU D CA 10369 C C A GLU D 122 ? 0.2070 0.2206 0.2045 -0.0039 0.0165 0.0103 121 GLU D C 10370 C C B GLU D 122 ? 0.2191 0.2326 0.2166 -0.0038 0.0165 0.0102 121 GLU D C 10371 O O A GLU D 122 ? 0.1979 0.2181 0.2034 -0.0054 0.0146 0.0110 121 GLU D O 10372 O O B GLU D 122 ? 0.2056 0.2254 0.2111 -0.0051 0.0144 0.0107 121 GLU D O 10373 C CB A GLU D 122 ? 0.2247 0.2230 0.2045 -0.0059 0.0163 0.0096 121 GLU D CB 10374 C CB B GLU D 122 ? 0.2697 0.2669 0.2492 -0.0065 0.0150 0.0092 121 GLU D CB 10375 C CG A GLU D 122 ? 0.2255 0.2158 0.1979 -0.0088 0.0127 0.0091 121 GLU D CG 10376 C CG B GLU D 122 ? 0.2900 0.2784 0.2629 -0.0087 0.0098 0.0078 121 GLU D CG 10377 C CD A GLU D 122 ? 0.2223 0.2156 0.1967 -0.0124 0.0120 0.0115 121 GLU D CD 10378 C CD B GLU D 122 ? 0.3258 0.3070 0.2884 -0.0101 0.0106 0.0086 121 GLU D CD 10379 O OE1 A GLU D 122 ? 0.2090 0.2114 0.1903 -0.0134 0.0147 0.0137 121 GLU D OE1 10380 O OE1 B GLU D 122 ? 0.3591 0.3414 0.3187 -0.0092 0.0160 0.0101 121 GLU D OE1 10381 O OE2 A GLU D 122 ? 0.2217 0.2082 0.1904 -0.0144 0.0086 0.0113 121 GLU D OE2 10382 O OE2 B GLU D 122 ? 0.3184 0.2928 0.2757 -0.0118 0.0060 0.0081 121 GLU D OE2 10383 N N . ASP D 123 ? 0.2128 0.2268 0.2078 -0.0001 0.0216 0.0109 122 ASP D N 10384 C CA . ASP D 123 ? 0.2067 0.2309 0.2100 0.0027 0.0252 0.0131 122 ASP D CA 10385 C C . ASP D 123 ? 0.1943 0.2166 0.1991 0.0059 0.0244 0.0111 122 ASP D C 10386 O O . ASP D 123 ? 0.1758 0.2058 0.1870 0.0089 0.0269 0.0128 122 ASP D O 10387 C CB . ASP D 123 ? 0.2185 0.2466 0.2202 0.0057 0.0320 0.0159 122 ASP D CB 10388 C CG . ASP D 123 ? 0.2416 0.2579 0.2309 0.0093 0.0354 0.0141 122 ASP D CG 10389 O OD1 . ASP D 123 ? 0.2637 0.2686 0.2452 0.0087 0.0320 0.0106 122 ASP D OD1 10390 O OD2 . ASP D 123 ? 0.2503 0.2687 0.2373 0.0126 0.0417 0.0163 122 ASP D OD2 10391 N N . VAL D 124 ? 0.1897 0.2022 0.1884 0.0053 0.0209 0.0078 123 VAL D N 10392 C CA . VAL D 124 ? 0.1962 0.2074 0.1974 0.0065 0.0187 0.0059 123 VAL D CA 10393 C C . VAL D 124 ? 0.1854 0.1948 0.1883 0.0026 0.0128 0.0042 123 VAL D C 10394 O O . VAL D 124 ? 0.1953 0.1979 0.1920 0.0007 0.0104 0.0031 123 VAL D O 10395 C CB . VAL D 124 ? 0.2074 0.2088 0.1997 0.0099 0.0208 0.0040 123 VAL D CB 10396 C CG1 . VAL D 124 ? 0.2167 0.2063 0.1972 0.0081 0.0193 0.0019 123 VAL D CG1 10397 C CG2 . VAL D 124 ? 0.2045 0.2056 0.2002 0.0104 0.0184 0.0025 123 VAL D CG2 10398 N N . ARG D 125 ? 0.1759 0.1914 0.1870 0.0018 0.0106 0.0045 124 ARG D N 10399 C CA . ARG D 125 ? 0.1771 0.1913 0.1903 -0.0009 0.0058 0.0032 124 ARG D CA 10400 C C . ARG D 125 ? 0.1780 0.1936 0.1955 0.0000 0.0044 0.0020 124 ARG D C 10401 O O . ARG D 125 ? 0.1797 0.2000 0.2011 0.0018 0.0065 0.0030 124 ARG D O 10402 C CB . ARG D 125 ? 0.1701 0.1890 0.1873 -0.0037 0.0045 0.0048 124 ARG D CB 10403 C CG . ARG D 125 ? 0.1831 0.2004 0.1958 -0.0053 0.0058 0.0062 124 ARG D CG 10404 C CD . ARG D 125 ? 0.1834 0.2026 0.1982 -0.0089 0.0038 0.0076 124 ARG D CD 10405 N NE . ARG D 125 ? 0.1903 0.2096 0.2016 -0.0108 0.0057 0.0096 124 ARG D NE 10406 C CZ . ARG D 125 ? 0.2060 0.2246 0.2163 -0.0146 0.0041 0.0110 124 ARG D CZ 10407 N NH1 . ARG D 125 ? 0.2132 0.2301 0.2250 -0.0165 0.0009 0.0105 124 ARG D NH1 10408 N NH2 . ARG D 125 ? 0.2140 0.2327 0.2209 -0.0165 0.0062 0.0130 124 ARG D NH2 10409 N N . GLY D 126 ? 0.1738 0.1860 0.1908 -0.0012 0.0010 0.0005 125 GLY D N 10410 C CA . GLY D 126 ? 0.1726 0.1864 0.1938 -0.0009 -0.0003 -0.0003 125 GLY D CA 10411 C C . GLY D 126 ? 0.1711 0.1890 0.1977 -0.0023 -0.0019 0.0001 125 GLY D C 10412 O O . GLY D 126 ? 0.1707 0.1880 0.1967 -0.0039 -0.0032 0.0007 125 GLY D O 10413 N N . ALA D 127 ? 0.1643 0.1851 0.1949 -0.0017 -0.0018 0.0000 126 ALA D N 10414 C CA . ALA D 127 ? 0.1578 0.1806 0.1917 -0.0030 -0.0033 0.0002 126 ALA D CA 10415 C C . ALA D 127 ? 0.1570 0.1784 0.1924 -0.0024 -0.0045 -0.0011 126 ALA D C 10416 O O . ALA D 127 ? 0.1616 0.1848 0.1992 -0.0020 -0.0041 -0.0012 126 ALA D O 10417 C CB . ALA D 127 ? 0.1606 0.1887 0.1978 -0.0034 -0.0023 0.0018 126 ALA D CB 10418 N N . PRO D 128 ? 0.1516 0.1702 0.1856 -0.0024 -0.0060 -0.0019 127 PRO D N 10419 C CA . PRO D 128 ? 0.1456 0.1645 0.1819 -0.0022 -0.0070 -0.0026 127 PRO D CA 10420 C C . PRO D 128 ? 0.1494 0.1691 0.1879 -0.0020 -0.0072 -0.0025 127 PRO D C 10421 O O . PRO D 128 ? 0.1474 0.1659 0.1846 -0.0025 -0.0073 -0.0019 127 PRO D O 10422 C CB . PRO D 128 ? 0.1494 0.1668 0.1844 -0.0026 -0.0089 -0.0026 127 PRO D CB 10423 C CG . PRO D 128 ? 0.1520 0.1678 0.1843 -0.0028 -0.0092 -0.0019 127 PRO D CG 10424 C CD . PRO D 128 ? 0.1510 0.1671 0.1818 -0.0029 -0.0070 -0.0017 127 PRO D CD 10425 N N . TYR D 129 ? 0.1477 0.1685 0.1886 -0.0016 -0.0069 -0.0029 128 TYR D N 10426 C CA . TYR D 129 ? 0.1434 0.1637 0.1850 -0.0011 -0.0065 -0.0029 128 TYR D CA 10427 C C . TYR D 129 ? 0.1480 0.1698 0.1924 -0.0003 -0.0062 -0.0031 128 TYR D C 10428 O O . TYR D 129 ? 0.1408 0.1643 0.1866 -0.0009 -0.0067 -0.0031 128 TYR D O 10429 C CB . TYR D 129 ? 0.1476 0.1679 0.1884 -0.0020 -0.0058 -0.0029 128 TYR D CB 10430 C CG . TYR D 129 ? 0.1402 0.1624 0.1823 -0.0018 -0.0051 -0.0030 128 TYR D CG 10431 C CD1 . TYR D 129 ? 0.1463 0.1695 0.1880 -0.0015 -0.0046 -0.0027 128 TYR D CD1 10432 C CD2 . TYR D 129 ? 0.1485 0.1705 0.1914 -0.0016 -0.0045 -0.0034 128 TYR D CD2 10433 C CE1 . TYR D 129 ? 0.1492 0.1725 0.1908 -0.0006 -0.0037 -0.0027 128 TYR D CE1 10434 C CE2 . TYR D 129 ? 0.1443 0.1668 0.1873 -0.0013 -0.0039 -0.0034 128 TYR D CE2 10435 C CZ . TYR D 129 ? 0.1495 0.1722 0.1917 -0.0007 -0.0036 -0.0031 128 TYR D CZ 10436 O OH . TYR D 129 ? 0.1516 0.1733 0.1928 0.0002 -0.0027 -0.0030 128 TYR D OH 10437 N N . ASP D 130 ? 0.1494 0.1702 0.1939 0.0007 -0.0052 -0.0030 129 ASP D N 10438 C CA . ASP D 130 ? 0.1645 0.1877 0.2120 0.0018 -0.0042 -0.0027 129 ASP D CA 10439 C C . ASP D 130 ? 0.1587 0.1820 0.2060 0.0006 -0.0033 -0.0033 129 ASP D C 10440 O O . ASP D 130 ? 0.1544 0.1751 0.1994 0.0008 -0.0023 -0.0037 129 ASP D O 10441 C CB . ASP D 130 ? 0.1834 0.2045 0.2300 0.0043 -0.0027 -0.0023 129 ASP D CB 10442 C CG . ASP D 130 ? 0.2056 0.2309 0.2565 0.0059 -0.0010 -0.0014 129 ASP D CG 10443 O OD1 . ASP D 130 ? 0.1883 0.2175 0.2423 0.0042 -0.0012 -0.0013 129 ASP D OD1 10444 O OD2 . ASP D 130 ? 0.2251 0.2499 0.2762 0.0090 0.0005 -0.0004 129 ASP D OD2 10445 N N . TRP D 131 ? 0.1528 0.1778 0.2014 -0.0006 -0.0040 -0.0034 130 TRP D N 10446 C CA . TRP D 131 ? 0.1570 0.1810 0.2044 -0.0015 -0.0033 -0.0038 130 TRP D CA 10447 C C . TRP D 131 ? 0.1611 0.1861 0.2100 -0.0015 -0.0018 -0.0036 130 TRP D C 10448 O O . TRP D 131 ? 0.1628 0.1862 0.2100 -0.0022 -0.0012 -0.0039 130 TRP D O 10449 C CB . TRP D 131 ? 0.1590 0.1823 0.2053 -0.0027 -0.0042 -0.0040 130 TRP D CB 10450 C CG . TRP D 131 ? 0.1612 0.1864 0.2091 -0.0039 -0.0057 -0.0036 130 TRP D CG 10451 C CD1 . TRP D 131 ? 0.1655 0.1900 0.2120 -0.0041 -0.0072 -0.0035 130 TRP D CD1 10452 C CD2 . TRP D 131 ? 0.1650 0.1936 0.2161 -0.0054 -0.0062 -0.0027 130 TRP D CD2 10453 N NE1 . TRP D 131 ? 0.1728 0.1997 0.2210 -0.0058 -0.0090 -0.0027 130 TRP D NE1 10454 C CE2 . TRP D 131 ? 0.1690 0.1992 0.2208 -0.0066 -0.0085 -0.0019 130 TRP D CE2 10455 C CE3 . TRP D 131 ? 0.1645 0.1953 0.2180 -0.0060 -0.0049 -0.0021 130 TRP D CE3 10456 C CZ2 . TRP D 131 ? 0.1742 0.2093 0.2297 -0.0087 -0.0100 -0.0004 130 TRP D CZ2 10457 C CZ3 . TRP D 131 ? 0.1765 0.2124 0.2340 -0.0079 -0.0058 -0.0006 130 TRP D CZ3 10458 C CH2 . TRP D 131 ? 0.1734 0.2119 0.2323 -0.0095 -0.0086 0.0003 130 TRP D CH2 10459 N N . ARG D 132 ? 0.1581 0.1854 0.2096 -0.0003 -0.0009 -0.0030 131 ARG D N 10460 C CA . ARG D 132 ? 0.1697 0.1978 0.2220 0.0001 0.0013 -0.0025 131 ARG D CA 10461 C C . ARG D 132 ? 0.1743 0.1974 0.2218 0.0010 0.0026 -0.0033 131 ARG D C 10462 O O . ARG D 132 ? 0.1843 0.2061 0.2304 0.0010 0.0045 -0.0033 131 ARG D O 10463 C CB . ARG D 132 ? 0.1706 0.2036 0.2276 0.0020 0.0024 -0.0010 131 ARG D CB 10464 C CG . ARG D 132 ? 0.1781 0.2171 0.2400 0.0002 0.0003 0.0002 131 ARG D CG 10465 C CD . ARG D 132 ? 0.1769 0.2221 0.2444 0.0027 0.0009 0.0024 131 ARG D CD 10466 N NE . ARG D 132 ? 0.1793 0.2211 0.2445 0.0060 0.0012 0.0021 131 ARG D NE 10467 C CZ . ARG D 132 ? 0.1994 0.2437 0.2671 0.0099 0.0028 0.0038 131 ARG D CZ 10468 N NH1 . ARG D 132 ? 0.2121 0.2645 0.2865 0.0113 0.0044 0.0063 131 ARG D NH1 10469 N NH2 . ARG D 132 ? 0.2067 0.2453 0.2701 0.0126 0.0030 0.0033 131 ARG D NH2 10470 N N . ARG D 133 ? 0.1786 0.1984 0.2230 0.0014 0.0017 -0.0038 132 ARG D N 10471 C CA . ARG D 133 ? 0.1900 0.2043 0.2287 0.0013 0.0022 -0.0043 132 ARG D CA 10472 C C . ARG D 133 ? 0.1840 0.1977 0.2208 -0.0007 0.0002 -0.0044 132 ARG D C 10473 O O . ARG D 133 ? 0.1760 0.1926 0.2154 -0.0013 -0.0010 -0.0042 132 ARG D O 10474 C CB . ARG D 133 ? 0.2278 0.2384 0.2634 0.0025 0.0022 -0.0043 132 ARG D CB 10475 C CG . ARG D 133 ? 0.2778 0.2878 0.3139 0.0057 0.0049 -0.0039 132 ARG D CG 10476 C CD . ARG D 133 ? 0.3360 0.3423 0.3695 0.0078 0.0049 -0.0036 132 ARG D CD 10477 N NE . ARG D 133 ? 0.3916 0.3943 0.4224 0.0116 0.0085 -0.0032 132 ARG D NE 10478 C CZ . ARG D 133 ? 0.4283 0.4269 0.4565 0.0150 0.0096 -0.0026 132 ARG D CZ 10479 N NH1 . ARG D 133 ? 0.4474 0.4453 0.4754 0.0144 0.0072 -0.0024 132 ARG D NH1 10480 N NH2 . ARG D 133 ? 0.4496 0.4444 0.4747 0.0192 0.0135 -0.0020 132 ARG D NH2 10481 N N . ALA D 134 ? 0.1812 0.1908 0.2131 -0.0017 0.0002 -0.0044 133 ALA D N 10482 C CA . ALA D 134 ? 0.1795 0.1896 0.2100 -0.0037 -0.0018 -0.0038 133 ALA D CA 10483 C C . ALA D 134 ? 0.1756 0.1837 0.2031 -0.0053 -0.0035 -0.0035 133 ALA D C 10484 O O . ALA D 134 ? 0.1740 0.1784 0.1991 -0.0047 -0.0028 -0.0040 133 ALA D O 10485 C CB . ALA D 134 ? 0.1844 0.1916 0.2109 -0.0046 -0.0016 -0.0036 133 ALA D CB 10486 N N . PRO D 135 ? 0.1809 0.1915 0.2084 -0.0074 -0.0057 -0.0022 134 PRO D N 10487 C CA . PRO D 135 ? 0.1845 0.1944 0.2100 -0.0098 -0.0075 -0.0014 134 PRO D CA 10488 C C . PRO D 135 ? 0.2028 0.2041 0.2199 -0.0119 -0.0079 -0.0020 134 PRO D C 10489 O O . PRO D 135 ? 0.2067 0.2051 0.2211 -0.0133 -0.0086 -0.0019 134 PRO D O 10490 C CB . PRO D 135 ? 0.1838 0.1998 0.2120 -0.0117 -0.0097 0.0007 134 PRO D CB 10491 C CG . PRO D 135 ? 0.1761 0.1966 0.2094 -0.0086 -0.0083 0.0007 134 PRO D CG 10492 C CD . PRO D 135 ? 0.1780 0.1939 0.2092 -0.0071 -0.0065 -0.0009 134 PRO D CD 10493 N N . ASN D 136 ? 0.2110 0.2068 0.2228 -0.0119 -0.0070 -0.0027 135 ASN D N 10494 C CA . ASN D 136 ? 0.2360 0.2213 0.2376 -0.0134 -0.0068 -0.0035 135 ASN D CA 10495 C C . ASN D 136 ? 0.2519 0.2317 0.2512 -0.0103 -0.0042 -0.0047 135 ASN D C 10496 O O . ASN D 136 ? 0.2666 0.2364 0.2565 -0.0116 -0.0042 -0.0052 135 ASN D O 10497 C CB . ASN D 136 ? 0.2400 0.2197 0.2355 -0.0134 -0.0057 -0.0041 135 ASN D CB 10498 C CG . ASN D 136 ? 0.2455 0.2272 0.2452 -0.0090 -0.0019 -0.0050 135 ASN D CG 10499 O OD1 . ASN D 136 ? 0.2417 0.2315 0.2504 -0.0071 -0.0014 -0.0047 135 ASN D OD1 10500 N ND2 . ASN D 136 ? 0.2864 0.2602 0.2790 -0.0075 0.0008 -0.0060 135 ASN D ND2 10501 N N . GLU D 137 ? 0.2431 0.2288 0.2502 -0.0065 -0.0022 -0.0050 136 GLU D N 10502 C CA . GLU D 137 ? 0.2544 0.2371 0.2611 -0.0032 -0.0001 -0.0054 136 GLU D CA 10503 C C . GLU D 137 ? 0.2505 0.2388 0.2632 -0.0029 -0.0015 -0.0048 136 GLU D C 10504 O O . GLU D 137 ? 0.2741 0.2635 0.2896 0.0002 -0.0002 -0.0048 136 GLU D O 10505 C CB . GLU D 137 ? 0.2733 0.2579 0.2832 0.0010 0.0032 -0.0057 136 GLU D CB 10506 C CG . GLU D 137 ? 0.3171 0.2940 0.3191 0.0012 0.0054 -0.0063 136 GLU D CG 10507 C CD . GLU D 137 ? 0.3705 0.3494 0.3755 0.0057 0.0097 -0.0062 136 GLU D CD 10508 O OE1 . GLU D 137 ? 0.3430 0.3304 0.3560 0.0060 0.0101 -0.0057 136 GLU D OE1 10509 O OE2 . GLU D 137 ? 0.4728 0.4442 0.4715 0.0089 0.0128 -0.0064 136 GLU D OE2 10510 N N . ASN D 138 ? 0.2392 0.2311 0.2534 -0.0063 -0.0042 -0.0041 137 ASN D N 10511 C CA . ASN D 138 ? 0.2266 0.2230 0.2450 -0.0065 -0.0053 -0.0034 137 ASN D CA 10512 C C . ASN D 138 ? 0.2307 0.2250 0.2450 -0.0108 -0.0076 -0.0024 137 ASN D C 10513 O O . ASN D 138 ? 0.2267 0.2268 0.2451 -0.0121 -0.0087 -0.0014 137 ASN D O 10514 C CB . ASN D 138 ? 0.2189 0.2243 0.2455 -0.0056 -0.0053 -0.0031 137 ASN D CB 10515 C CG . ASN D 138 ? 0.2389 0.2467 0.2698 -0.0023 -0.0040 -0.0036 137 ASN D CG 10516 O OD1 . ASN D 138 ? 0.2674 0.2730 0.2974 -0.0009 -0.0038 -0.0035 137 ASN D OD1 10517 N ND2 . ASN D 138 ? 0.2104 0.2226 0.2457 -0.0014 -0.0033 -0.0038 137 ASN D ND2 10518 N N . GLY D 139 ? 0.2446 0.2295 0.2497 -0.0130 -0.0081 -0.0026 138 GLY D N 10519 C CA . GLY D 139 ? 0.2493 0.2308 0.2489 -0.0182 -0.0106 -0.0014 138 GLY D CA 10520 C C . GLY D 139 ? 0.2456 0.2281 0.2466 -0.0184 -0.0109 -0.0008 138 GLY D C 10521 O O . GLY D 139 ? 0.2308 0.2191 0.2347 -0.0219 -0.0126 0.0008 138 GLY D O 10522 N N . PRO D 140 ? 0.2525 0.2299 0.2517 -0.0144 -0.0091 -0.0017 139 PRO D N 10523 C CA . PRO D 140 ? 0.2518 0.2292 0.2514 -0.0144 -0.0095 -0.0010 139 PRO D CA 10524 C C . PRO D 140 ? 0.2374 0.2265 0.2465 -0.0142 -0.0099 -0.0002 139 PRO D C 10525 O O . PRO D 140 ? 0.2378 0.2287 0.2469 -0.0169 -0.0108 0.0010 139 PRO D O 10526 C CB . PRO D 140 ? 0.2665 0.2379 0.2638 -0.0090 -0.0075 -0.0019 139 PRO D CB 10527 C CG . PRO D 140 ? 0.2734 0.2365 0.2639 -0.0078 -0.0060 -0.0029 139 PRO D CG 10528 C CD . PRO D 140 ? 0.2671 0.2371 0.2621 -0.0099 -0.0066 -0.0031 139 PRO D CD 10529 N N . TYR D 141 ? 0.2069 0.2030 0.2231 -0.0114 -0.0089 -0.0007 140 TYR D N 10530 C CA . TYR D 141 ? 0.1945 0.1996 0.2177 -0.0110 -0.0089 -0.0001 140 TYR D CA 10531 C C . TYR D 141 ? 0.1854 0.1957 0.2100 -0.0149 -0.0099 0.0016 140 TYR D C 10532 O O . TYR D 141 ? 0.1807 0.1952 0.2075 -0.0155 -0.0097 0.0027 140 TYR D O 10533 C CB . TYR D 141 ? 0.1834 0.1930 0.2118 -0.0082 -0.0078 -0.0010 140 TYR D CB 10534 C CG . TYR D 141 ? 0.1683 0.1850 0.2018 -0.0078 -0.0075 -0.0004 140 TYR D CG 10535 C CD1 . TYR D 141 ? 0.1660 0.1842 0.2011 -0.0063 -0.0071 -0.0006 140 TYR D CD1 10536 C CD2 . TYR D 141 ? 0.1682 0.1894 0.2040 -0.0087 -0.0075 0.0003 140 TYR D CD2 10537 C CE1 . TYR D 141 ? 0.1603 0.1828 0.1981 -0.0055 -0.0062 -0.0002 140 TYR D CE1 10538 C CE2 . TYR D 141 ? 0.1692 0.1957 0.2088 -0.0073 -0.0066 0.0010 140 TYR D CE2 10539 C CZ . TYR D 141 ? 0.1606 0.1870 0.2006 -0.0056 -0.0057 0.0005 140 TYR D CZ 10540 O OH . TYR D 141 ? 0.1728 0.2022 0.2144 -0.0039 -0.0043 0.0010 140 TYR D OH 10541 N N . PHE D 142 ? 0.1890 0.1994 0.2122 -0.0174 -0.0110 0.0022 141 PHE D N 10542 C CA . PHE D 142 ? 0.1931 0.2106 0.2190 -0.0211 -0.0123 0.0047 141 PHE D CA 10543 C C . PHE D 142 ? 0.2088 0.2244 0.2309 -0.0257 -0.0136 0.0063 141 PHE D C 10544 O O . PHE D 142 ? 0.2033 0.2271 0.2297 -0.0277 -0.0138 0.0088 141 PHE D O 10545 C CB . PHE D 142 ? 0.1980 0.2164 0.2231 -0.0231 -0.0138 0.0053 141 PHE D CB 10546 C CG . PHE D 142 ? 0.1962 0.2176 0.2256 -0.0190 -0.0124 0.0043 141 PHE D CG 10547 C CD1 . PHE D 142 ? 0.1873 0.2169 0.2235 -0.0164 -0.0112 0.0052 141 PHE D CD1 10548 C CD2 . PHE D 142 ? 0.1989 0.2139 0.2244 -0.0177 -0.0120 0.0024 141 PHE D CD2 10549 C CE1 . PHE D 142 ? 0.1849 0.2157 0.2237 -0.0130 -0.0100 0.0043 141 PHE D CE1 10550 C CE2 . PHE D 142 ? 0.1905 0.2079 0.2195 -0.0144 -0.0107 0.0016 141 PHE D CE2 10551 C CZ . PHE D 142 ? 0.1872 0.2122 0.2226 -0.0123 -0.0099 0.0025 141 PHE D CZ 10552 N N . LEU D 143 ? 0.2263 0.2308 0.2397 -0.0273 -0.0143 0.0052 142 LEU D N 10553 C CA . LEU D 143 ? 0.2504 0.2510 0.2587 -0.0317 -0.0155 0.0066 142 LEU D CA 10554 C C . LEU D 143 ? 0.2231 0.2274 0.2351 -0.0295 -0.0139 0.0070 142 LEU D C 10555 O O . LEU D 143 ? 0.2238 0.2331 0.2372 -0.0329 -0.0142 0.0093 142 LEU D O 10556 C CB . LEU D 143 ? 0.2857 0.2710 0.2821 -0.0329 -0.0161 0.0052 142 LEU D CB 10557 C CG . LEU D 143 ? 0.3465 0.3250 0.3360 -0.0358 -0.0176 0.0047 142 LEU D CG 10558 C CD1 . LEU D 143 ? 0.3880 0.3498 0.3651 -0.0343 -0.0167 0.0027 142 LEU D CD1 10559 C CD2 . LEU D 143 ? 0.3735 0.3552 0.3612 -0.0437 -0.0208 0.0075 142 LEU D CD2 10560 N N . ALA D 144 ? 0.2070 0.2094 0.2204 -0.0240 -0.0122 0.0050 143 ALA D N 10561 C CA . ALA D 144 ? 0.2032 0.2082 0.2190 -0.0219 -0.0111 0.0052 143 ALA D CA 10562 C C . ALA D 144 ? 0.1862 0.2023 0.2093 -0.0216 -0.0098 0.0067 143 ALA D C 10563 O O . ALA D 144 ? 0.1854 0.2041 0.2090 -0.0223 -0.0089 0.0079 143 ALA D O 10564 C CB . ALA D 144 ? 0.2091 0.2110 0.2254 -0.0166 -0.0102 0.0032 143 ALA D CB 10565 N N . LEU D 145 ? 0.1771 0.1989 0.2052 -0.0200 -0.0094 0.0065 144 LEU D N 10566 C CA . LEU D 145 ? 0.1724 0.2038 0.2068 -0.0186 -0.0078 0.0081 144 LEU D CA 10567 C C . LEU D 145 ? 0.1762 0.2145 0.2126 -0.0230 -0.0081 0.0115 144 LEU D C 10568 O O . LEU D 145 ? 0.1695 0.2138 0.2088 -0.0223 -0.0061 0.0133 144 LEU D O 10569 C CB . LEU D 145 ? 0.1715 0.2063 0.2099 -0.0161 -0.0075 0.0075 144 LEU D CB 10570 C CG . LEU D 145 ? 0.1737 0.2174 0.2179 -0.0137 -0.0056 0.0092 144 LEU D CG 10571 C CD1 . LEU D 145 ? 0.1784 0.2215 0.2223 -0.0103 -0.0030 0.0085 144 LEU D CD1 10572 C CD2 . LEU D 145 ? 0.1758 0.2205 0.2221 -0.0114 -0.0058 0.0085 144 LEU D CD2 10573 N N . ARG D 146 ? 0.1860 0.2235 0.2203 -0.0276 -0.0107 0.0126 145 ARG D N 10574 C CA . ARG D 146 ? 0.1992 0.2436 0.2353 -0.0332 -0.0118 0.0164 145 ARG D CA 10575 C C . ARG D 146 ? 0.2023 0.2442 0.2349 -0.0355 -0.0110 0.0173 145 ARG D C 10576 O O . ARG D 146 ? 0.1968 0.2478 0.2340 -0.0368 -0.0095 0.0203 145 ARG D O 10577 C CB . ARG D 146 ? 0.2174 0.2584 0.2492 -0.0389 -0.0154 0.0172 145 ARG D CB 10578 C CG . ARG D 146 ? 0.2490 0.2975 0.2823 -0.0461 -0.0174 0.0216 145 ARG D CG 10579 C CD . ARG D 146 ? 0.2985 0.3415 0.3254 -0.0526 -0.0217 0.0222 145 ARG D CD 10580 N NE . ARG D 146 ? 0.3358 0.3825 0.3611 -0.0612 -0.0243 0.0261 145 ARG D NE 10581 C CZ . ARG D 146 ? 0.3671 0.4251 0.3974 -0.0667 -0.0272 0.0304 145 ARG D CZ 10582 N NH1 . ARG D 146 ? 0.3772 0.4439 0.4142 -0.0642 -0.0280 0.0315 145 ARG D NH1 10583 N NH2 . ARG D 146 ? 0.3868 0.4478 0.4153 -0.0751 -0.0296 0.0341 145 ARG D NH2 10584 N N A GLU D 147 ? 0.2064 0.2361 0.2310 -0.0358 -0.0117 0.0149 146 GLU D N 10585 N N B GLU D 147 ? 0.2142 0.2438 0.2388 -0.0357 -0.0117 0.0149 146 GLU D N 10586 C CA A GLU D 147 ? 0.2267 0.2520 0.2466 -0.0378 -0.0112 0.0156 146 GLU D CA 10587 C CA B GLU D 147 ? 0.2385 0.2638 0.2584 -0.0378 -0.0112 0.0156 146 GLU D CA 10588 C C A GLU D 147 ? 0.2136 0.2438 0.2374 -0.0334 -0.0080 0.0156 146 GLU D C 10589 C C B GLU D 147 ? 0.2203 0.2504 0.2440 -0.0334 -0.0080 0.0156 146 GLU D C 10590 O O A GLU D 147 ? 0.2031 0.2367 0.2269 -0.0358 -0.0068 0.0179 146 GLU D O 10591 O O B GLU D 147 ? 0.2088 0.2422 0.2324 -0.0358 -0.0068 0.0179 146 GLU D O 10592 C CB A GLU D 147 ? 0.2476 0.2580 0.2578 -0.0375 -0.0125 0.0131 146 GLU D CB 10593 C CB B GLU D 147 ? 0.2715 0.2820 0.2817 -0.0376 -0.0125 0.0131 146 GLU D CB 10594 C CG A GLU D 147 ? 0.2746 0.2796 0.2792 -0.0393 -0.0120 0.0139 146 GLU D CG 10595 C CG B GLU D 147 ? 0.3173 0.3201 0.3204 -0.0429 -0.0153 0.0134 146 GLU D CG 10596 C CD A GLU D 147 ? 0.3047 0.3130 0.3078 -0.0468 -0.0129 0.0174 146 GLU D CD 10597 C CD B GLU D 147 ? 0.3762 0.3632 0.3689 -0.0413 -0.0159 0.0110 146 GLU D CD 10598 O OE1 A GLU D 147 ? 0.3308 0.3381 0.3315 -0.0522 -0.0154 0.0186 146 GLU D OE1 10599 O OE1 B GLU D 147 ? 0.4275 0.4115 0.4209 -0.0350 -0.0144 0.0088 146 GLU D OE1 10600 O OE2 A GLU D 147 ? 0.3170 0.3290 0.3210 -0.0478 -0.0112 0.0192 146 GLU D OE2 10601 O OE2 B GLU D 147 ? 0.4200 0.3972 0.4033 -0.0463 -0.0178 0.0114 146 GLU D OE2 10602 N N . MET D 148 ? 0.2021 0.2321 0.2283 -0.0276 -0.0067 0.0132 147 MET D N 10603 C CA . MET D 148 ? 0.2014 0.2337 0.2290 -0.0237 -0.0039 0.0130 147 MET D CA 10604 C C . MET D 148 ? 0.1890 0.2330 0.2229 -0.0235 -0.0012 0.0160 147 MET D C 10605 O O . MET D 148 ? 0.1739 0.2200 0.2072 -0.0230 0.0013 0.0173 147 MET D O 10606 C CB . MET D 148 ? 0.2066 0.2360 0.2349 -0.0185 -0.0036 0.0100 147 MET D CB 10607 C CG . MET D 148 ? 0.2292 0.2587 0.2567 -0.0150 -0.0011 0.0095 147 MET D CG 10608 S SD . MET D 148 ? 0.2563 0.2800 0.2823 -0.0108 -0.0019 0.0062 147 MET D SD 10609 C CE . MET D 148 ? 0.2308 0.2600 0.2625 -0.0087 -0.0011 0.0059 147 MET D CE 10610 N N . ILE D 149 ? 0.1801 0.2317 0.2200 -0.0235 -0.0015 0.0173 148 ILE D N 10611 C CA . ILE D 149 ? 0.1696 0.2337 0.2166 -0.0227 0.0009 0.0209 148 ILE D CA 10612 C C . ILE D 149 ? 0.1763 0.2464 0.2242 -0.0281 0.0012 0.0248 148 ILE D C 10613 O O . ILE D 149 ? 0.1731 0.2503 0.2240 -0.0265 0.0049 0.0272 148 ILE D O 10614 C CB . ILE D 149 ? 0.1715 0.2426 0.2245 -0.0220 -0.0003 0.0220 148 ILE D CB 10615 C CG1 . ILE D 149 ? 0.1739 0.2408 0.2267 -0.0158 0.0009 0.0189 148 ILE D CG1 10616 C CG2 . ILE D 149 ? 0.1726 0.2586 0.2339 -0.0221 0.0016 0.0271 148 ILE D CG2 10617 C CD1 . ILE D 149 ? 0.1731 0.2429 0.2293 -0.0153 -0.0009 0.0191 148 ILE D CD1 10618 N N . GLU D 150 ? 0.1843 0.2509 0.2288 -0.0346 -0.0024 0.0254 149 GLU D N 10619 C CA A GLU D 150 ? 0.1954 0.2662 0.2394 -0.0411 -0.0028 0.0291 149 GLU D CA 10620 C CA B GLU D 150 ? 0.2031 0.2734 0.2468 -0.0413 -0.0029 0.0290 149 GLU D CA 10621 C C . GLU D 150 ? 0.2009 0.2660 0.2395 -0.0405 -0.0002 0.0285 149 GLU D C 10622 O O . GLU D 150 ? 0.1967 0.2700 0.2382 -0.0423 0.0023 0.0321 149 GLU D O 10623 C CB A GLU D 150 ? 0.2061 0.2702 0.2445 -0.0485 -0.0076 0.0292 149 GLU D CB 10624 C CB B GLU D 150 ? 0.2245 0.2867 0.2617 -0.0484 -0.0077 0.0287 149 GLU D CB 10625 C CG A GLU D 150 ? 0.2058 0.2765 0.2489 -0.0504 -0.0103 0.0306 149 GLU D CG 10626 C CG B GLU D 150 ? 0.2358 0.3045 0.2775 -0.0509 -0.0107 0.0302 149 GLU D CG 10627 C CD A GLU D 150 ? 0.2219 0.2854 0.2577 -0.0588 -0.0151 0.0312 149 GLU D CD 10628 C CD B GLU D 150 ? 0.2664 0.3235 0.2991 -0.0568 -0.0153 0.0289 149 GLU D CD 10629 O OE1 A GLU D 150 ? 0.2191 0.2718 0.2459 -0.0628 -0.0160 0.0305 149 GLU D OE1 10630 O OE1 B GLU D 150 ? 0.2825 0.3451 0.3174 -0.0614 -0.0183 0.0312 149 GLU D OE1 10631 O OE2 A GLU D 150 ? 0.2258 0.2930 0.2637 -0.0613 -0.0181 0.0323 149 GLU D OE2 10632 O OE2 B GLU D 150 ? 0.2793 0.3214 0.3021 -0.0568 -0.0158 0.0257 149 GLU D OE2 10633 N N A GLU D 151 ? 0.1956 0.2474 0.2266 -0.0378 -0.0009 0.0244 150 GLU D N 10634 N N B GLU D 151 ? 0.2019 0.2540 0.2331 -0.0376 -0.0008 0.0245 150 GLU D N 10635 C CA A GLU D 151 ? 0.2075 0.2528 0.2325 -0.0367 0.0010 0.0237 150 GLU D CA 10636 C CA B GLU D 151 ? 0.2165 0.2623 0.2418 -0.0367 0.0010 0.0238 150 GLU D CA 10637 C C A GLU D 151 ? 0.1978 0.2500 0.2265 -0.0317 0.0058 0.0246 150 GLU D C 10638 C C B GLU D 151 ? 0.2029 0.2554 0.2318 -0.0317 0.0058 0.0247 150 GLU D C 10639 O O A GLU D 151 ? 0.1938 0.2475 0.2204 -0.0329 0.0085 0.0266 150 GLU D O 10640 O O B GLU D 151 ? 0.1979 0.2522 0.2249 -0.0329 0.0086 0.0268 150 GLU D O 10641 C CB A GLU D 151 ? 0.2186 0.2497 0.2358 -0.0341 -0.0010 0.0196 150 GLU D CB 10642 C CB B GLU D 151 ? 0.2363 0.2681 0.2540 -0.0340 -0.0009 0.0197 150 GLU D CB 10643 C CG A GLU D 151 ? 0.2295 0.2552 0.2418 -0.0308 0.0009 0.0185 150 GLU D CG 10644 C CG B GLU D 151 ? 0.2539 0.2764 0.2655 -0.0383 -0.0046 0.0191 150 GLU D CG 10645 C CD A GLU D 151 ? 0.2355 0.2488 0.2409 -0.0288 -0.0016 0.0155 150 GLU D CD 10646 C CD B GLU D 151 ? 0.2900 0.3008 0.2960 -0.0346 -0.0063 0.0156 150 GLU D CD 10647 O OE1 A GLU D 151 ? 0.2624 0.2688 0.2639 -0.0313 -0.0044 0.0151 150 GLU D OE1 10648 O OE1 B GLU D 151 ? 0.3003 0.3112 0.3083 -0.0292 -0.0054 0.0135 150 GLU D OE1 10649 O OE2 A GLU D 151 ? 0.2037 0.2137 0.2068 -0.0248 -0.0009 0.0138 150 GLU D OE2 10650 O OE2 B GLU D 151 ? 0.3425 0.3437 0.3417 -0.0371 -0.0087 0.0151 150 GLU D OE2 10651 N N . MET D 152 ? 0.1852 0.2408 0.2183 -0.0261 0.0072 0.0232 151 MET D N 10652 C CA . MET D 152 ? 0.1803 0.2399 0.2149 -0.0208 0.0120 0.0237 151 MET D CA 10653 C C . MET D 152 ? 0.1816 0.2553 0.2233 -0.0219 0.0155 0.0288 151 MET D C 10654 O O . MET D 152 ? 0.1744 0.2504 0.2148 -0.0196 0.0202 0.0304 151 MET D O 10655 C CB . MET D 152 ? 0.1795 0.2380 0.2160 -0.0151 0.0124 0.0212 151 MET D CB 10656 C CG . MET D 152 ? 0.1832 0.2293 0.2131 -0.0137 0.0097 0.0168 151 MET D CG 10657 S SD . MET D 152 ? 0.1974 0.2421 0.2296 -0.0086 0.0095 0.0141 151 MET D SD 10658 C CE . MET D 152 ? 0.2002 0.2426 0.2280 -0.0033 0.0146 0.0139 151 MET D CE 10659 N N . TYR D 153 ? 0.1765 0.2599 0.2256 -0.0254 0.0133 0.0316 152 TYR D N 10660 C CA . TYR D 153 ? 0.1843 0.2837 0.2419 -0.0271 0.0160 0.0373 152 TYR D CA 10661 C C . TYR D 153 ? 0.1987 0.2984 0.2529 -0.0324 0.0173 0.0398 152 TYR D C 10662 O O . TYR D 153 ? 0.2013 0.3103 0.2591 -0.0309 0.0223 0.0435 152 TYR D O 10663 C CB . TYR D 153 ? 0.1849 0.2932 0.2496 -0.0315 0.0118 0.0398 152 TYR D CB 10664 C CG . TYR D 153 ? 0.1925 0.3184 0.2666 -0.0356 0.0129 0.0465 152 TYR D CG 10665 C CD1 . TYR D 153 ? 0.2083 0.3357 0.2805 -0.0446 0.0106 0.0493 152 TYR D CD1 10666 C CD2 . TYR D 153 ? 0.2044 0.3457 0.2891 -0.0307 0.0161 0.0505 152 TYR D CD2 10667 C CE1 . TYR D 153 ? 0.2193 0.3642 0.3008 -0.0492 0.0113 0.0560 152 TYR D CE1 10668 C CE2 . TYR D 153 ? 0.2074 0.3673 0.3023 -0.0344 0.0169 0.0575 152 TYR D CE2 10669 C CZ . TYR D 153 ? 0.2211 0.3831 0.3146 -0.0440 0.0144 0.0602 152 TYR D CZ 10670 O OH . TYR D 153 ? 0.2365 0.4184 0.3408 -0.0483 0.0151 0.0677 152 TYR D OH 10671 N N . GLN D 154 ? 0.2207 0.3099 0.2675 -0.0384 0.0130 0.0381 153 GLN D N 10672 C CA . GLN D 154 ? 0.2583 0.3457 0.3003 -0.0443 0.0135 0.0404 153 GLN D CA 10673 C C . GLN D 154 ? 0.2392 0.3193 0.2742 -0.0402 0.0178 0.0388 153 GLN D C 10674 O O . GLN D 154 ? 0.2235 0.3092 0.2588 -0.0420 0.0215 0.0422 153 GLN D O 10675 C CB . GLN D 154 ? 0.3233 0.3984 0.3570 -0.0512 0.0080 0.0386 153 GLN D CB 10676 C CG . GLN D 154 ? 0.4260 0.5060 0.4635 -0.0573 0.0034 0.0405 153 GLN D CG 10677 C CD . GLN D 154 ? 0.5547 0.6193 0.5815 -0.0633 -0.0015 0.0384 153 GLN D CD 10678 O OE1 . GLN D 154 ? 0.6528 0.7034 0.6724 -0.0597 -0.0030 0.0337 153 GLN D OE1 10679 N NE2 . GLN D 154 ? 0.6150 0.6821 0.6403 -0.0725 -0.0041 0.0420 153 GLN D NE2 10680 N N . LEU D 155 ? 0.2077 0.2756 0.2365 -0.0350 0.0171 0.0339 154 LEU D N 10681 C CA . LEU D 155 ? 0.2096 0.2691 0.2303 -0.0315 0.0202 0.0321 154 LEU D CA 10682 C C . LEU D 155 ? 0.2044 0.2721 0.2285 -0.0259 0.0268 0.0340 154 LEU D C 10683 O O . LEU D 155 ? 0.2121 0.2793 0.2319 -0.0258 0.0310 0.0357 154 LEU D O 10684 C CB . LEU D 155 ? 0.2059 0.2517 0.2198 -0.0277 0.0173 0.0269 154 LEU D CB 10685 C CG . LEU D 155 ? 0.2112 0.2458 0.2187 -0.0316 0.0120 0.0249 154 LEU D CG 10686 C CD1 . LEU D 155 ? 0.2149 0.2407 0.2195 -0.0272 0.0094 0.0206 154 LEU D CD1 10687 C CD2 . LEU D 155 ? 0.2268 0.2544 0.2258 -0.0350 0.0125 0.0261 154 LEU D CD2 10688 N N . TYR D 156 ? 0.1940 0.2679 0.2248 -0.0208 0.0281 0.0338 155 TYR D N 10689 C CA . TYR D 156 ? 0.2041 0.2816 0.2355 -0.0136 0.0345 0.0346 155 TYR D CA 10690 C C . TYR D 156 ? 0.2142 0.3099 0.2569 -0.0126 0.0388 0.0403 155 TYR D C 10691 O O . TYR D 156 ? 0.2335 0.3332 0.2769 -0.0062 0.0452 0.0419 155 TYR D O 10692 C CB . TYR D 156 ? 0.1952 0.2652 0.2242 -0.0075 0.0339 0.0304 155 TYR D CB 10693 C CG . TYR D 156 ? 0.1933 0.2479 0.2131 -0.0091 0.0290 0.0255 155 TYR D CG 10694 C CD1 . TYR D 156 ? 0.2048 0.2490 0.2142 -0.0099 0.0295 0.0241 155 TYR D CD1 10695 C CD2 . TYR D 156 ? 0.1856 0.2369 0.2074 -0.0099 0.0238 0.0228 155 TYR D CD2 10696 C CE1 . TYR D 156 ? 0.2053 0.2372 0.2075 -0.0113 0.0247 0.0204 155 TYR D CE1 10697 C CE2 . TYR D 156 ? 0.1868 0.2262 0.2016 -0.0110 0.0196 0.0191 155 TYR D CE2 10698 C CZ . TYR D 156 ? 0.2002 0.2304 0.2057 -0.0117 0.0199 0.0181 155 TYR D CZ 10699 O OH . TYR D 156 ? 0.2012 0.2210 0.2007 -0.0126 0.0155 0.0152 155 TYR D OH 10700 N N . GLY D 157 ? 0.2198 0.3264 0.2706 -0.0191 0.0356 0.0439 156 GLY D N 10701 C CA . GLY D 157 ? 0.2229 0.3488 0.2850 -0.0199 0.0393 0.0506 156 GLY D CA 10702 C C . GLY D 157 ? 0.2214 0.3605 0.2947 -0.0147 0.0405 0.0531 156 GLY D C 10703 O O . GLY D 157 ? 0.2246 0.3801 0.3072 -0.0125 0.0452 0.0589 156 GLY D O 10704 N N . GLY D 158 ? 0.2075 0.3404 0.2803 -0.0126 0.0365 0.0494 157 GLY D N 10705 C CA . GLY D 158 ? 0.2061 0.3511 0.2892 -0.0084 0.0368 0.0521 157 GLY D CA 10706 C C . GLY D 158 ? 0.1975 0.3339 0.2787 -0.0078 0.0315 0.0477 157 GLY D C 10707 O O . GLY D 158 ? 0.2091 0.3299 0.2810 -0.0096 0.0281 0.0423 157 GLY D O 10708 N N . PRO D 159 ? 0.1873 0.3342 0.2774 -0.0050 0.0307 0.0503 158 PRO D N 10709 C CA . PRO D 159 ? 0.1820 0.3220 0.2708 -0.0047 0.0259 0.0467 158 PRO D CA 10710 C C . PRO D 159 ? 0.1815 0.3066 0.2619 0.0022 0.0279 0.0412 158 PRO D C 10711 O O . PRO D 159 ? 0.1720 0.2940 0.2487 0.0085 0.0336 0.0410 158 PRO D O 10712 C CB . PRO D 159 ? 0.1815 0.3381 0.2821 -0.0032 0.0253 0.0520 158 PRO D CB 10713 C CG . PRO D 159 ? 0.1842 0.3554 0.2922 0.0011 0.0318 0.0578 158 PRO D CG 10714 C CD . PRO D 159 ? 0.1970 0.3647 0.2998 -0.0029 0.0339 0.0576 158 PRO D CD 10715 N N . VAL D 160 ? 0.1881 0.3039 0.2649 0.0006 0.0230 0.0371 159 VAL D N 10716 C CA . VAL D 160 ? 0.2028 0.3031 0.2706 0.0045 0.0232 0.0315 159 VAL D CA 10717 C C . VAL D 160 ? 0.1878 0.2883 0.2575 0.0108 0.0243 0.0312 159 VAL D C 10718 O O . VAL D 160 ? 0.1865 0.2969 0.2641 0.0106 0.0225 0.0342 159 VAL D O 10719 C CB . VAL D 160 ? 0.2181 0.3086 0.2811 -0.0013 0.0173 0.0276 159 VAL D CB 10720 C CG1 . VAL D 160 ? 0.2609 0.3381 0.3168 0.0017 0.0166 0.0225 159 VAL D CG1 10721 C CG2 . VAL D 160 ? 0.2374 0.3253 0.2968 -0.0070 0.0161 0.0277 159 VAL D CG2 10722 N N . VAL D 161 ? 0.1803 0.2693 0.2422 0.0161 0.0272 0.0279 160 VAL D N 10723 C CA . VAL D 161 ? 0.1753 0.2607 0.2363 0.0216 0.0280 0.0268 160 VAL D CA 10724 C C . VAL D 161 ? 0.1781 0.2515 0.2333 0.0185 0.0233 0.0218 160 VAL D C 10725 O O . VAL D 161 ? 0.1744 0.2374 0.2220 0.0168 0.0227 0.0183 160 VAL D O 10726 C CB . VAL D 161 ? 0.1782 0.2574 0.2328 0.0294 0.0345 0.0267 160 VAL D CB 10727 C CG1 . VAL D 161 ? 0.1835 0.2554 0.2346 0.0344 0.0348 0.0250 160 VAL D CG1 10728 C CG2 . VAL D 161 ? 0.1812 0.2741 0.2427 0.0335 0.0399 0.0324 160 VAL D CG2 10729 N N . LEU D 162 ? 0.1671 0.2428 0.2262 0.0178 0.0201 0.0218 161 LEU D N 10730 C CA . LEU D 162 ? 0.1785 0.2442 0.2332 0.0156 0.0163 0.0176 161 LEU D CA 10731 C C . LEU D 162 ? 0.1770 0.2343 0.2263 0.0209 0.0186 0.0158 161 LEU D C 10732 O O . LEU D 162 ? 0.1785 0.2402 0.2304 0.0257 0.0211 0.0184 161 LEU D O 10733 C CB . LEU D 162 ? 0.1941 0.2656 0.2544 0.0119 0.0120 0.0187 161 LEU D CB 10734 C CG . LEU D 162 ? 0.2177 0.2961 0.2820 0.0057 0.0092 0.0206 161 LEU D CG 10735 C CD1 . LEU D 162 ? 0.2130 0.2966 0.2816 0.0021 0.0051 0.0221 161 LEU D CD1 10736 C CD2 . LEU D 162 ? 0.2515 0.3208 0.3098 0.0020 0.0074 0.0172 161 LEU D CD2 10737 N N . VAL D 163 ? 0.1780 0.2232 0.2193 0.0200 0.0178 0.0118 162 VAL D N 10738 C CA . VAL D 163 ? 0.1802 0.2155 0.2145 0.0238 0.0195 0.0099 162 VAL D CA 10739 C C . VAL D 163 ? 0.1812 0.2108 0.2140 0.0199 0.0152 0.0069 162 VAL D C 10740 O O . VAL D 163 ? 0.1838 0.2098 0.2145 0.0160 0.0127 0.0047 162 VAL D O 10741 C CB . VAL D 163 ? 0.1991 0.2240 0.2233 0.0259 0.0227 0.0082 162 VAL D CB 10742 C CG1 . VAL D 163 ? 0.2062 0.2189 0.2214 0.0291 0.0242 0.0063 162 VAL D CG1 10743 C CG2 . VAL D 163 ? 0.2065 0.2370 0.2317 0.0300 0.0278 0.0113 162 VAL D CG2 10744 N N . ALA D 164 ? 0.1758 0.2054 0.2101 0.0211 0.0144 0.0071 163 ALA D N 10745 C CA . ALA D 164 ? 0.1680 0.1940 0.2021 0.0175 0.0107 0.0048 163 ALA D CA 10746 C C . ALA D 164 ? 0.1802 0.1971 0.2081 0.0195 0.0115 0.0034 163 ALA D C 10747 O O . ALA D 164 ? 0.1725 0.1878 0.1982 0.0242 0.0144 0.0049 163 ALA D O 10748 C CB . ALA D 164 ? 0.1672 0.2017 0.2087 0.0153 0.0081 0.0064 163 ALA D CB 10749 N N . HIS D 165 ? 0.1797 0.1907 0.2045 0.0159 0.0091 0.0008 164 HIS D N 10750 C CA . HIS D 165 ? 0.1905 0.1923 0.2090 0.0163 0.0093 -0.0004 164 HIS D CA 10751 C C . HIS D 165 ? 0.1861 0.1901 0.2083 0.0134 0.0067 -0.0008 164 HIS D C 10752 O O . HIS D 165 ? 0.1686 0.1770 0.1953 0.0099 0.0042 -0.0015 164 HIS D O 10753 C CB . HIS D 165 ? 0.2076 0.1999 0.2179 0.0138 0.0087 -0.0027 164 HIS D CB 10754 C CG . HIS D 165 ? 0.2145 0.1965 0.2171 0.0129 0.0085 -0.0040 164 HIS D CG 10755 N ND1 . HIS D 165 ? 0.2316 0.2110 0.2332 0.0078 0.0055 -0.0055 164 HIS D ND1 10756 C CD2 . HIS D 165 ? 0.2246 0.1982 0.2200 0.0164 0.0111 -0.0037 164 HIS D CD2 10757 C CE1 . HIS D 165 ? 0.2369 0.2066 0.2307 0.0073 0.0059 -0.0061 164 HIS D CE1 10758 N NE2 . HIS D 165 ? 0.2265 0.1915 0.2157 0.0126 0.0093 -0.0052 164 HIS D NE2 10759 N N . SER D 166 ? 0.1987 0.1988 0.2183 0.0153 0.0075 -0.0003 165 SER D N 10760 C CA . SER D 166 ? 0.2010 0.2007 0.2219 0.0127 0.0055 -0.0009 165 SER D CA 10761 C C . SER D 166 ? 0.1862 0.1953 0.2149 0.0110 0.0037 0.0000 165 SER D C 10762 O O . SER D 166 ? 0.1801 0.1958 0.2130 0.0130 0.0040 0.0020 165 SER D O 10763 C CB . SER D 166 ? 0.2188 0.2119 0.2352 0.0085 0.0042 -0.0031 165 SER D CB 10764 O OG . SER D 166 ? 0.2580 0.2488 0.2737 0.0067 0.0034 -0.0032 165 SER D OG 10765 N N . MET D 167 ? 0.1815 0.1912 0.2120 0.0072 0.0018 -0.0013 166 MET D N 10766 C CA . MET D 167 ? 0.1943 0.2102 0.2298 0.0057 0.0004 -0.0007 166 MET D CA 10767 C C . MET D 167 ? 0.1704 0.1919 0.2093 0.0056 0.0000 0.0000 166 MET D C 10768 O O . MET D 167 ? 0.1601 0.1860 0.2019 0.0045 -0.0011 0.0011 166 MET D O 10769 C CB . MET D 167 ? 0.2128 0.2277 0.2489 0.0025 -0.0006 -0.0023 166 MET D CB 10770 C CG . MET D 167 ? 0.2283 0.2467 0.2671 0.0012 -0.0015 -0.0020 166 MET D CG 10771 S SD . MET D 167 ? 0.2315 0.2486 0.2708 -0.0008 -0.0014 -0.0033 166 MET D SD 10772 C CE . MET D 167 ? 0.2218 0.2410 0.2634 -0.0014 -0.0021 -0.0038 166 MET D CE 10773 N N . GLY D 168 ? 0.1581 0.1787 0.1959 0.0062 0.0008 -0.0003 167 GLY D N 10774 C CA . GLY D 168 ? 0.1545 0.1801 0.1950 0.0060 0.0007 0.0006 167 GLY D CA 10775 C C . GLY D 168 ? 0.1483 0.1802 0.1921 0.0078 0.0012 0.0034 167 GLY D C 10776 O O . GLY D 168 ? 0.1391 0.1767 0.1861 0.0062 0.0003 0.0048 167 GLY D O 10777 N N . ASN D 169 ? 0.1594 0.1904 0.2022 0.0109 0.0025 0.0045 168 ASN D N 10778 C CA . ASN D 169 ? 0.1603 0.1989 0.2073 0.0130 0.0028 0.0079 168 ASN D CA 10779 C C . ASN D 169 ? 0.1633 0.2064 0.2134 0.0098 -0.0002 0.0090 168 ASN D C 10780 O O . ASN D 169 ? 0.1533 0.2044 0.2077 0.0089 -0.0013 0.0119 168 ASN D O 10781 C CB . ASN D 169 ? 0.1773 0.2129 0.2218 0.0179 0.0050 0.0091 168 ASN D CB 10782 C CG . ASN D 169 ? 0.1855 0.2166 0.2259 0.0217 0.0085 0.0088 168 ASN D CG 10783 O OD1 . ASN D 169 ? 0.1925 0.2297 0.2359 0.0241 0.0104 0.0110 168 ASN D OD1 10784 N ND2 . ASN D 169 ? 0.1905 0.2107 0.2234 0.0219 0.0094 0.0061 168 ASN D ND2 10785 N N . MET D 170 ? 0.1633 0.2011 0.2106 0.0077 -0.0014 0.0069 169 MET D N 10786 C CA . MET D 170 ? 0.1746 0.2140 0.2224 0.0047 -0.0040 0.0075 169 MET D CA 10787 C C . MET D 170 ? 0.1637 0.2042 0.2118 0.0007 -0.0056 0.0069 169 MET D C 10788 O O . MET D 170 ? 0.1585 0.2024 0.2074 -0.0020 -0.0078 0.0086 169 MET D O 10789 C CB . MET D 170 ? 0.2003 0.2330 0.2442 0.0042 -0.0040 0.0057 169 MET D CB 10790 C CG . MET D 170 ? 0.2328 0.2639 0.2753 0.0075 -0.0031 0.0070 169 MET D CG 10791 S SD . MET D 170 ? 0.2929 0.3304 0.3376 0.0071 -0.0058 0.0107 169 MET D SD 10792 C CE . MET D 170 ? 0.3263 0.3577 0.3662 0.0031 -0.0074 0.0087 169 MET D CE 10793 N N . TYR D 171 ? 0.1563 0.1933 0.2033 0.0004 -0.0046 0.0047 170 TYR D N 10794 C CA . TYR D 171 ? 0.1542 0.1915 0.2009 -0.0024 -0.0057 0.0043 170 TYR D CA 10795 C C . TYR D 171 ? 0.1608 0.2052 0.2107 -0.0032 -0.0061 0.0072 170 TYR D C 10796 O O . TYR D 171 ? 0.1596 0.2057 0.2092 -0.0069 -0.0082 0.0083 170 TYR D O 10797 C CB . TYR D 171 ? 0.1570 0.1902 0.2023 -0.0018 -0.0046 0.0021 170 TYR D CB 10798 C CG . TYR D 171 ? 0.1595 0.1878 0.2025 -0.0029 -0.0051 0.0002 170 TYR D CG 10799 C CD1 . TYR D 171 ? 0.1632 0.1889 0.2054 -0.0021 -0.0045 -0.0007 170 TYR D CD1 10800 C CD2 . TYR D 171 ? 0.1754 0.2014 0.2167 -0.0045 -0.0058 -0.0003 170 TYR D CD2 10801 C CE1 . TYR D 171 ? 0.1664 0.1887 0.2071 -0.0027 -0.0042 -0.0020 170 TYR D CE1 10802 C CE2 . TYR D 171 ? 0.1834 0.2051 0.2226 -0.0046 -0.0056 -0.0016 170 TYR D CE2 10803 C CZ . TYR D 171 ? 0.1733 0.1938 0.2126 -0.0035 -0.0046 -0.0024 170 TYR D CZ 10804 O OH . TYR D 171 ? 0.1825 0.1996 0.2202 -0.0030 -0.0038 -0.0033 170 TYR D OH 10805 N N . THR D 172 ? 0.1591 0.2074 0.2116 0.0000 -0.0041 0.0085 171 THR D N 10806 C CA . THR D 172 ? 0.1643 0.2208 0.2208 -0.0001 -0.0036 0.0117 171 THR D CA 10807 C C . THR D 172 ? 0.1684 0.2329 0.2288 -0.0017 -0.0058 0.0153 171 THR D C 10808 O O . THR D 172 ? 0.1650 0.2358 0.2279 -0.0054 -0.0076 0.0178 171 THR D O 10809 C CB . THR D 172 ? 0.1718 0.2296 0.2291 0.0046 0.0000 0.0123 171 THR D CB 10810 O OG1 . THR D 172 ? 0.1699 0.2202 0.2228 0.0049 0.0010 0.0092 171 THR D OG1 10811 C CG2 . THR D 172 ? 0.1689 0.2366 0.2312 0.0048 0.0010 0.0161 171 THR D CG2 10812 N N . LEU D 173 ? 0.1623 0.2263 0.2226 0.0005 -0.0061 0.0157 172 LEU D N 10813 C CA . LEU D 173 ? 0.1718 0.2429 0.2352 -0.0010 -0.0088 0.0193 172 LEU D CA 10814 C C . LEU D 173 ? 0.1700 0.2386 0.2300 -0.0076 -0.0126 0.0188 172 LEU D C 10815 O O . LEU D 173 ? 0.1624 0.2382 0.2249 -0.0116 -0.0155 0.0222 172 LEU D O 10816 C CB . LEU D 173 ? 0.1855 0.2545 0.2480 0.0027 -0.0084 0.0196 172 LEU D CB 10817 C CG . LEU D 173 ? 0.1975 0.2737 0.2628 0.0013 -0.0116 0.0236 172 LEU D CG 10818 C CD1 . LEU D 173 ? 0.1914 0.2815 0.2648 0.0025 -0.0117 0.0289 172 LEU D CD1 10819 C CD2 . LEU D 173 ? 0.2059 0.2774 0.2686 0.0053 -0.0110 0.0233 172 LEU D CD2 10820 N N . TYR D 174 ? 0.1613 0.2195 0.2152 -0.0088 -0.0127 0.0149 173 TYR D N 10821 C CA . TYR D 174 ? 0.1759 0.2288 0.2244 -0.0143 -0.0155 0.0140 173 TYR D CA 10822 C C . TYR D 174 ? 0.1739 0.2298 0.2230 -0.0183 -0.0166 0.0153 173 TYR D C 10823 O O . TYR D 174 ? 0.1972 0.2551 0.2446 -0.0236 -0.0200 0.0175 173 TYR D O 10824 C CB . TYR D 174 ? 0.1805 0.2225 0.2232 -0.0135 -0.0140 0.0097 173 TYR D CB 10825 C CG . TYR D 174 ? 0.1988 0.2330 0.2342 -0.0178 -0.0157 0.0084 173 TYR D CG 10826 C CD1 . TYR D 174 ? 0.2179 0.2470 0.2476 -0.0201 -0.0175 0.0082 173 TYR D CD1 10827 C CD2 . TYR D 174 ? 0.2083 0.2388 0.2413 -0.0195 -0.0155 0.0073 173 TYR D CD2 10828 C CE1 . TYR D 174 ? 0.2442 0.2638 0.2652 -0.0236 -0.0185 0.0068 173 TYR D CE1 10829 C CE2 . TYR D 174 ? 0.2213 0.2427 0.2461 -0.0229 -0.0167 0.0061 173 TYR D CE2 10830 C CZ . TYR D 174 ? 0.2513 0.2669 0.2697 -0.0248 -0.0180 0.0058 173 TYR D CZ 10831 O OH . TYR D 174 ? 0.2952 0.2996 0.3035 -0.0278 -0.0186 0.0044 173 TYR D OH 10832 N N . PHE D 175 ? 0.1681 0.2242 0.2190 -0.0162 -0.0141 0.0143 174 PHE D N 10833 C CA . PHE D 175 ? 0.1750 0.2331 0.2258 -0.0198 -0.0148 0.0155 174 PHE D CA 10834 C C . PHE D 175 ? 0.1765 0.2471 0.2334 -0.0225 -0.0165 0.0206 174 PHE D C 10835 O O . PHE D 175 ? 0.1829 0.2547 0.2379 -0.0287 -0.0195 0.0225 174 PHE D O 10836 C CB . PHE D 175 ? 0.1827 0.2395 0.2345 -0.0165 -0.0116 0.0139 174 PHE D CB 10837 C CG . PHE D 175 ? 0.1804 0.2400 0.2326 -0.0197 -0.0117 0.0155 174 PHE D CG 10838 C CD1 . PHE D 175 ? 0.1960 0.2479 0.2418 -0.0242 -0.0136 0.0144 174 PHE D CD1 10839 C CD2 . PHE D 175 ? 0.1826 0.2514 0.2405 -0.0179 -0.0096 0.0183 174 PHE D CD2 10840 C CE1 . PHE D 175 ? 0.2032 0.2565 0.2483 -0.0275 -0.0136 0.0159 174 PHE D CE1 10841 C CE2 . PHE D 175 ? 0.1894 0.2607 0.2474 -0.0211 -0.0094 0.0199 174 PHE D CE2 10842 C CZ . PHE D 175 ? 0.2009 0.2645 0.2525 -0.0263 -0.0117 0.0188 174 PHE D CZ 10843 N N . LEU D 176 ? 0.1667 0.2464 0.2306 -0.0177 -0.0144 0.0229 175 LEU D N 10844 C CA . LEU D 176 ? 0.1744 0.2685 0.2461 -0.0190 -0.0153 0.0285 175 LEU D CA 10845 C C . LEU D 176 ? 0.1780 0.2766 0.2501 -0.0238 -0.0201 0.0315 175 LEU D C 10846 O O . LEU D 176 ? 0.1879 0.2961 0.2638 -0.0291 -0.0228 0.0359 175 LEU D O 10847 C CB . LEU D 176 ? 0.1645 0.2663 0.2428 -0.0113 -0.0112 0.0304 175 LEU D CB 10848 C CG . LEU D 176 ? 0.1668 0.2654 0.2443 -0.0074 -0.0066 0.0284 175 LEU D CG 10849 C CD1 . LEU D 176 ? 0.1731 0.2754 0.2541 0.0004 -0.0025 0.0297 175 LEU D CD1 10850 C CD2 . LEU D 176 ? 0.1700 0.2748 0.2499 -0.0112 -0.0063 0.0308 175 LEU D CD2 10851 N N . GLN D 177 ? 0.1902 0.2820 0.2581 -0.0227 -0.0213 0.0295 176 GLN D N 10852 C CA . GLN D 177 ? 0.2139 0.3078 0.2800 -0.0278 -0.0263 0.0321 176 GLN D CA 10853 C C . GLN D 177 ? 0.2289 0.3171 0.2878 -0.0366 -0.0302 0.0318 176 GLN D C 10854 O O . GLN D 177 ? 0.2470 0.3404 0.3057 -0.0429 -0.0349 0.0355 176 GLN D O 10855 C CB . GLN D 177 ? 0.2114 0.2964 0.2722 -0.0252 -0.0265 0.0294 176 GLN D CB 10856 C CG . GLN D 177 ? 0.2149 0.3061 0.2817 -0.0180 -0.0243 0.0311 176 GLN D CG 10857 C CD . GLN D 177 ? 0.2319 0.3140 0.2928 -0.0162 -0.0247 0.0287 176 GLN D CD 10858 O OE1 . GLN D 177 ? 0.2512 0.3217 0.3037 -0.0192 -0.0253 0.0250 176 GLN D OE1 10859 N NE2 . GLN D 177 ? 0.2349 0.3218 0.2996 -0.0112 -0.0240 0.0310 176 GLN D NE2 10860 N N . ARG D 178 ? 0.2466 0.3238 0.2992 -0.0373 -0.0283 0.0277 177 ARG D N 10861 C CA . ARG D 178 ? 0.2769 0.3456 0.3206 -0.0449 -0.0313 0.0270 177 ARG D CA 10862 C C . ARG D 178 ? 0.2718 0.3459 0.3178 -0.0493 -0.0317 0.0294 177 ARG D C 10863 O O . ARG D 178 ? 0.2901 0.3557 0.3275 -0.0558 -0.0342 0.0288 177 ARG D O 10864 C CB . ARG D 178 ? 0.3029 0.3548 0.3366 -0.0431 -0.0294 0.0214 177 ARG D CB 10865 C CG . ARG D 178 ? 0.3471 0.3929 0.3760 -0.0419 -0.0303 0.0198 177 ARG D CG 10866 C CD . ARG D 178 ? 0.3700 0.4029 0.3924 -0.0378 -0.0271 0.0149 177 ARG D CD 10867 N NE . ARG D 178 ? 0.4390 0.4702 0.4600 -0.0356 -0.0272 0.0144 177 ARG D NE 10868 C CZ . ARG D 178 ? 0.4977 0.5186 0.5089 -0.0381 -0.0287 0.0130 177 ARG D CZ 10869 N NH1 . ARG D 178 ? 0.5502 0.5598 0.5505 -0.0429 -0.0300 0.0118 177 ARG D NH1 10870 N NH2 . ARG D 178 ? 0.4879 0.5084 0.4988 -0.0356 -0.0283 0.0127 177 ARG D NH2 10871 N N . GLN D 179 ? 0.2416 0.3291 0.2983 -0.0459 -0.0292 0.0324 178 GLN D N 10872 C CA . GLN D 179 ? 0.2332 0.3273 0.2926 -0.0506 -0.0295 0.0354 178 GLN D CA 10873 C C . GLN D 179 ? 0.2237 0.3345 0.2914 -0.0552 -0.0329 0.0421 178 GLN D C 10874 O O . GLN D 179 ? 0.2118 0.3333 0.2876 -0.0506 -0.0324 0.0447 178 GLN D O 10875 C CB . GLN D 179 ? 0.2219 0.3200 0.2869 -0.0444 -0.0241 0.0347 178 GLN D CB 10876 C CG . GLN D 179 ? 0.2332 0.3174 0.2919 -0.0392 -0.0208 0.0288 178 GLN D CG 10877 C CD . GLN D 179 ? 0.2504 0.3188 0.2973 -0.0437 -0.0230 0.0253 178 GLN D CD 10878 O OE1 . GLN D 179 ? 0.2646 0.3298 0.3069 -0.0497 -0.0248 0.0263 178 GLN D OE1 10879 N NE2 . GLN D 179 ? 0.2836 0.3420 0.3254 -0.0406 -0.0227 0.0215 178 GLN D NE2 10880 N N . PRO D 180 ? 0.2289 0.3424 0.2946 -0.0643 -0.0364 0.0452 179 PRO D N 10881 C CA . PRO D 180 ? 0.2281 0.3606 0.3036 -0.0693 -0.0398 0.0526 179 PRO D CA 10882 C C . PRO D 180 ? 0.2243 0.3753 0.3147 -0.0618 -0.0351 0.0566 179 PRO D C 10883 O O . PRO D 180 ? 0.2072 0.3566 0.2992 -0.0561 -0.0296 0.0545 179 PRO D O 10884 C CB . PRO D 180 ? 0.2421 0.3725 0.3122 -0.0799 -0.0428 0.0545 179 PRO D CB 10885 C CG . PRO D 180 ? 0.2537 0.3607 0.3079 -0.0816 -0.0429 0.0480 179 PRO D CG 10886 C CD . PRO D 180 ? 0.2363 0.3362 0.2909 -0.0705 -0.0374 0.0426 179 PRO D CD 10887 N N . GLN D 181 ? 0.2191 0.3875 0.3199 -0.0618 -0.0373 0.0628 180 GLN D N 10888 C CA . GLN D 181 ? 0.2226 0.4089 0.3374 -0.0540 -0.0325 0.0674 180 GLN D CA 10889 C C . GLN D 181 ? 0.2146 0.4088 0.3341 -0.0558 -0.0290 0.0699 180 GLN D C 10890 O O . GLN D 181 ? 0.1982 0.3969 0.3231 -0.0473 -0.0225 0.0699 180 GLN D O 10891 C CB . GLN D 181 ? 0.2355 0.4411 0.3613 -0.0547 -0.0362 0.0749 180 GLN D CB 10892 C CG . GLN D 181 ? 0.2352 0.4585 0.3751 -0.0445 -0.0306 0.0797 180 GLN D CG 10893 C CD . GLN D 181 ? 0.2433 0.4556 0.3800 -0.0326 -0.0251 0.0745 180 GLN D CD 10894 O OE1 . GLN D 181 ? 0.2682 0.4704 0.3988 -0.0311 -0.0274 0.0713 180 GLN D OE1 10895 N NE2 . GLN D 181 ? 0.2400 0.4538 0.3800 -0.0244 -0.0179 0.0738 180 GLN D NE2 10896 N N . ALA D 182 ? 0.2179 0.4133 0.3344 -0.0669 -0.0332 0.0722 181 ALA D N 10897 C CA . ALA D 182 ? 0.2181 0.4209 0.3385 -0.0696 -0.0302 0.0750 181 ALA D CA 10898 C C . ALA D 182 ? 0.2128 0.3994 0.3250 -0.0644 -0.0247 0.0683 181 ALA D C 10899 O O . ALA D 182 ? 0.1993 0.3924 0.3164 -0.0608 -0.0193 0.0698 181 ALA D O 10900 C CB . ALA D 182 ? 0.2325 0.4364 0.3487 -0.0838 -0.0364 0.0783 181 ALA D CB 10901 N N . TRP D 183 ? 0.1934 0.3591 0.2930 -0.0640 -0.0260 0.0613 182 TRP D N 10902 C CA . TRP D 183 ? 0.1932 0.3437 0.2851 -0.0591 -0.0216 0.0552 182 TRP D CA 10903 C C . TRP D 183 ? 0.1822 0.3371 0.2805 -0.0473 -0.0153 0.0541 182 TRP D C 10904 O O . TRP D 183 ? 0.1874 0.3412 0.2857 -0.0432 -0.0104 0.0531 182 TRP D O 10905 C CB . TRP D 183 ? 0.1989 0.3282 0.2773 -0.0604 -0.0242 0.0486 182 TRP D CB 10906 C CG . TRP D 183 ? 0.1993 0.3139 0.2700 -0.0563 -0.0206 0.0430 182 TRP D CG 10907 C CD1 . TRP D 183 ? 0.2040 0.3079 0.2660 -0.0612 -0.0211 0.0414 182 TRP D CD1 10908 C CD2 . TRP D 183 ? 0.1921 0.3010 0.2627 -0.0468 -0.0163 0.0388 182 TRP D CD2 10909 N NE1 . TRP D 183 ? 0.2032 0.2964 0.2608 -0.0550 -0.0175 0.0366 182 TRP D NE1 10910 C CE2 . TRP D 183 ? 0.1938 0.2899 0.2565 -0.0465 -0.0147 0.0349 182 TRP D CE2 10911 C CE3 . TRP D 183 ? 0.1842 0.2972 0.2602 -0.0388 -0.0139 0.0381 182 TRP D CE3 10912 C CZ2 . TRP D 183 ? 0.1942 0.2826 0.2546 -0.0391 -0.0112 0.0307 182 TRP D CZ2 10913 C CZ3 . TRP D 183 ? 0.1826 0.2865 0.2554 -0.0318 -0.0102 0.0336 182 TRP D CZ3 10914 C CH2 . TRP D 183 ? 0.1865 0.2788 0.2519 -0.0322 -0.0091 0.0300 182 TRP D CH2 10915 N N . LYS D 184 ? 0.1717 0.3299 0.2738 -0.0420 -0.0157 0.0543 183 LYS D N 10916 C CA . LYS D 184 ? 0.1678 0.3272 0.2737 -0.0310 -0.0101 0.0531 183 LYS D CA 10917 C C . LYS D 184 ? 0.1703 0.3466 0.2867 -0.0271 -0.0053 0.0587 183 LYS D C 10918 O O . LYS D 184 ? 0.1608 0.3343 0.2766 -0.0196 0.0006 0.0570 183 LYS D O 10919 C CB . LYS D 184 ? 0.1642 0.3234 0.2714 -0.0269 -0.0119 0.0526 183 LYS D CB 10920 C CG . LYS D 184 ? 0.1668 0.3077 0.2629 -0.0289 -0.0148 0.0463 183 LYS D CG 10921 C CD . LYS D 184 ? 0.1641 0.3034 0.2602 -0.0250 -0.0162 0.0456 183 LYS D CD 10922 C CE . LYS D 184 ? 0.1622 0.3125 0.2630 -0.0302 -0.0215 0.0508 183 LYS D CE 10923 N NZ . LYS D 184 ? 0.1625 0.3065 0.2597 -0.0281 -0.0238 0.0490 183 LYS D NZ 10924 N N . ASP D 185 ? 0.1734 0.3674 0.2991 -0.0322 -0.0078 0.0657 184 ASP D N 10925 C CA . ASP D 185 ? 0.1877 0.4006 0.3251 -0.0284 -0.0030 0.0723 184 ASP D CA 10926 C C . ASP D 185 ? 0.1912 0.4007 0.3252 -0.0296 0.0012 0.0712 184 ASP D C 10927 O O . ASP D 185 ? 0.2006 0.4173 0.3394 -0.0226 0.0078 0.0734 184 ASP D O 10928 C CB . ASP D 185 ? 0.2025 0.4364 0.3511 -0.0353 -0.0075 0.0806 184 ASP D CB 10929 C CG . ASP D 185 ? 0.2248 0.4661 0.3790 -0.0325 -0.0110 0.0834 184 ASP D CG 10930 O OD1 . ASP D 185 ? 0.2231 0.4561 0.3745 -0.0236 -0.0086 0.0798 184 ASP D OD1 10931 O OD2 . ASP D 185 ? 0.2439 0.4998 0.4052 -0.0397 -0.0165 0.0896 184 ASP D OD2 10932 N N . LYS D 186 ? 0.1806 0.3782 0.3054 -0.0382 -0.0023 0.0679 185 LYS D N 10933 C CA . LYS D 186 ? 0.1863 0.3787 0.3064 -0.0398 0.0012 0.0667 185 LYS D CA 10934 C C . LYS D 186 ? 0.1726 0.3477 0.2834 -0.0321 0.0056 0.0598 185 LYS D C 10935 O O . LYS D 186 ? 0.1643 0.3404 0.2751 -0.0276 0.0114 0.0601 185 LYS D O 10936 C CB . LYS D 186 ? 0.2064 0.3910 0.3188 -0.0517 -0.0043 0.0659 185 LYS D CB 10937 C CG . LYS D 186 ? 0.2294 0.4063 0.3352 -0.0539 -0.0013 0.0644 185 LYS D CG 10938 C CD . LYS D 186 ? 0.2632 0.4350 0.3624 -0.0664 -0.0068 0.0654 185 LYS D CD 10939 C CE . LYS D 186 ? 0.2900 0.4538 0.3822 -0.0687 -0.0039 0.0642 185 LYS D CE 10940 N NZ . LYS D 186 ? 0.3336 0.4880 0.4165 -0.0804 -0.0095 0.0643 185 LYS D NZ 10941 N N . TYR D 187 ? 0.1640 0.3236 0.2667 -0.0311 0.0027 0.0539 186 TYR D N 10942 C CA . TYR D 187 ? 0.1712 0.3134 0.2639 -0.0269 0.0050 0.0473 186 TYR D CA 10943 C C . TYR D 187 ? 0.1675 0.3052 0.2597 -0.0170 0.0088 0.0445 186 TYR D C 10944 O O . TYR D 187 ? 0.1679 0.2937 0.2527 -0.0134 0.0114 0.0402 186 TYR D O 10945 C CB . TYR D 187 ? 0.1756 0.3023 0.2586 -0.0324 -0.0001 0.0426 186 TYR D CB 10946 C CG . TYR D 187 ? 0.1918 0.3162 0.2705 -0.0416 -0.0029 0.0440 186 TYR D CG 10947 C CD1 . TYR D 187 ? 0.2100 0.3287 0.2836 -0.0423 -0.0003 0.0431 186 TYR D CD1 10948 C CD2 . TYR D 187 ? 0.2063 0.3325 0.2845 -0.0499 -0.0084 0.0461 186 TYR D CD2 10949 C CE1 . TYR D 187 ? 0.2215 0.3366 0.2900 -0.0509 -0.0029 0.0443 186 TYR D CE1 10950 C CE2 . TYR D 187 ? 0.2164 0.3384 0.2888 -0.0589 -0.0112 0.0473 186 TYR D CE2 10951 C CZ . TYR D 187 ? 0.2360 0.3525 0.3037 -0.0591 -0.0082 0.0464 186 TYR D CZ 10952 O OH . TYR D 187 ? 0.2671 0.3784 0.3282 -0.0681 -0.0108 0.0478 186 TYR D OH 10953 N N . ILE D 188 ? 0.1610 0.3071 0.2599 -0.0129 0.0087 0.0468 187 ILE D N 10954 C CA . ILE D 188 ? 0.1698 0.3096 0.2666 -0.0041 0.0118 0.0440 187 ILE D CA 10955 C C . ILE D 188 ? 0.1812 0.3333 0.2853 0.0032 0.0176 0.0487 187 ILE D C 10956 O O . ILE D 188 ? 0.1805 0.3488 0.2947 0.0029 0.0170 0.0546 187 ILE D O 10957 C CB . ILE D 188 ? 0.1780 0.3142 0.2744 -0.0042 0.0076 0.0423 187 ILE D CB 10958 C CG1 . ILE D 188 ? 0.1823 0.3066 0.2712 -0.0112 0.0023 0.0381 187 ILE D CG1 10959 C CG2 . ILE D 188 ? 0.1750 0.3033 0.2680 0.0043 0.0108 0.0394 187 ILE D CG2 10960 C CD1 . ILE D 188 ? 0.1853 0.2943 0.2650 -0.0102 0.0036 0.0324 187 ILE D CD1 10961 N N . ARG D 189 ? 0.1800 0.3242 0.2785 0.0101 0.0233 0.0463 188 ARG D N 10962 C CA . ARG D 189 ? 0.1942 0.3468 0.2973 0.0188 0.0299 0.0502 188 ARG D CA 10963 C C . ARG D 189 ? 0.1802 0.3299 0.2833 0.0258 0.0304 0.0497 188 ARG D C 10964 O O . ARG D 189 ? 0.1844 0.3469 0.2958 0.0308 0.0325 0.0549 188 ARG D O 10965 C CB . ARG D 189 ? 0.2344 0.3775 0.3292 0.0230 0.0359 0.0479 188 ARG D CB 10966 C CG . ARG D 189 ? 0.2916 0.4420 0.3895 0.0325 0.0437 0.0520 188 ARG D CG 10967 C CD . ARG D 189 ? 0.3576 0.4978 0.4457 0.0357 0.0497 0.0497 188 ARG D CD 10968 N NE . ARG D 189 ? 0.4675 0.6187 0.5606 0.0438 0.0576 0.0552 188 ARG D NE 10969 C CZ . ARG D 189 ? 0.5148 0.6829 0.6172 0.0423 0.0606 0.0612 188 ARG D CZ 10970 N NH1 . ARG D 189 ? 0.5456 0.7200 0.6518 0.0322 0.0560 0.0622 188 ARG D NH1 10971 N NH2 . ARG D 189 ? 0.5666 0.7447 0.6736 0.0511 0.0684 0.0664 188 ARG D NH2 10972 N N . ALA D 190 ? 0.1681 0.3011 0.2617 0.0263 0.0286 0.0436 189 ALA D N 10973 C CA . ALA D 190 ? 0.1624 0.2897 0.2538 0.0324 0.0291 0.0425 189 ALA D CA 10974 C C . ALA D 190 ? 0.1587 0.2699 0.2411 0.0290 0.0250 0.0360 189 ALA D C 10975 O O . ALA D 190 ? 0.1533 0.2566 0.2304 0.0240 0.0232 0.0324 189 ALA D O 10976 C CB . ALA D 190 ? 0.1785 0.3011 0.2652 0.0422 0.0365 0.0430 189 ALA D CB 10977 N N . PHE D 191 ? 0.1642 0.2711 0.2454 0.0319 0.0237 0.0351 190 PHE D N 10978 C CA . PHE D 191 ? 0.1591 0.2520 0.2326 0.0296 0.0205 0.0297 190 PHE D CA 10979 C C . PHE D 191 ? 0.1691 0.2521 0.2359 0.0372 0.0244 0.0284 190 PHE D C 10980 O O . PHE D 191 ? 0.1714 0.2593 0.2416 0.0425 0.0259 0.0317 190 PHE D O 10981 C CB . PHE D 191 ? 0.1583 0.2565 0.2367 0.0247 0.0148 0.0307 190 PHE D CB 10982 C CG . PHE D 191 ? 0.1647 0.2508 0.2368 0.0227 0.0118 0.0261 190 PHE D CG 10983 C CD1 . PHE D 191 ? 0.1758 0.2481 0.2392 0.0234 0.0129 0.0213 190 PHE D CD1 10984 C CD2 . PHE D 191 ? 0.1757 0.2649 0.2506 0.0199 0.0076 0.0270 190 PHE D CD2 10985 C CE1 . PHE D 191 ? 0.1796 0.2429 0.2386 0.0214 0.0103 0.0179 190 PHE D CE1 10986 C CE2 . PHE D 191 ? 0.1816 0.2607 0.2510 0.0182 0.0053 0.0233 190 PHE D CE2 10987 C CZ . PHE D 191 ? 0.1862 0.2529 0.2483 0.0189 0.0068 0.0188 190 PHE D CZ 10988 N N . VAL D 192 ? 0.1687 0.2374 0.2253 0.0376 0.0260 0.0240 191 VAL D N 10989 C CA . VAL D 192 ? 0.1855 0.2411 0.2327 0.0431 0.0291 0.0219 191 VAL D CA 10990 C C . VAL D 192 ? 0.1848 0.2309 0.2276 0.0388 0.0246 0.0179 191 VAL D C 10991 O O . VAL D 192 ? 0.1712 0.2119 0.2110 0.0333 0.0218 0.0144 191 VAL D O 10992 C CB . VAL D 192 ? 0.1953 0.2403 0.2326 0.0454 0.0334 0.0197 191 VAL D CB 10993 C CG1 . VAL D 192 ? 0.2197 0.2484 0.2448 0.0501 0.0361 0.0173 191 VAL D CG1 10994 C CG2 . VAL D 192 ? 0.2077 0.2623 0.2492 0.0498 0.0385 0.0238 191 VAL D CG2 10995 N N . SER D 193 ? 0.1925 0.2371 0.2352 0.0417 0.0242 0.0188 192 SER D N 10996 C CA . SER D 193 ? 0.2078 0.2462 0.2483 0.0379 0.0202 0.0161 192 SER D CA 10997 C C . SER D 193 ? 0.2057 0.2284 0.2348 0.0408 0.0222 0.0134 192 SER D C 10998 O O . SER D 193 ? 0.2201 0.2395 0.2459 0.0472 0.0256 0.0153 192 SER D O 10999 C CB . SER D 193 ? 0.2188 0.2672 0.2670 0.0386 0.0180 0.0196 192 SER D CB 11000 O OG . SER D 193 ? 0.2424 0.2855 0.2884 0.0350 0.0145 0.0174 192 SER D OG 11001 N N . LEU D 194 ? 0.2105 0.2233 0.2330 0.0361 0.0204 0.0093 193 LEU D N 11002 C CA . LEU D 194 ? 0.2220 0.2190 0.2325 0.0372 0.0218 0.0068 193 LEU D CA 11003 C C . LEU D 194 ? 0.2205 0.2130 0.2297 0.0330 0.0182 0.0049 193 LEU D C 11004 O O . LEU D 194 ? 0.1926 0.1867 0.2043 0.0270 0.0147 0.0029 193 LEU D O 11005 C CB . LEU D 194 ? 0.2381 0.2269 0.2410 0.0347 0.0223 0.0040 193 LEU D CB 11006 C CG . LEU D 194 ? 0.2614 0.2536 0.2644 0.0378 0.0258 0.0054 193 LEU D CG 11007 C CD1 . LEU D 194 ? 0.2864 0.2699 0.2814 0.0340 0.0251 0.0024 193 LEU D CD1 11008 C CD2 . LEU D 194 ? 0.2753 0.2633 0.2731 0.0461 0.0315 0.0076 193 LEU D CD2 11009 N N . GLY D 195 ? 0.2228 0.2097 0.2281 0.0363 0.0192 0.0059 194 GLY D N 11010 C CA . GLY D 195 ? 0.2171 0.1985 0.2198 0.0323 0.0164 0.0042 194 GLY D CA 11011 C C . GLY D 195 ? 0.1997 0.1921 0.2123 0.0283 0.0128 0.0048 194 GLY D C 11012 O O . GLY D 195 ? 0.1905 0.1810 0.2029 0.0230 0.0102 0.0027 194 GLY D O 11013 N N . ALA D 196 ? 0.1928 0.1964 0.2134 0.0309 0.0127 0.0079 195 ALA D N 11014 C CA . ALA D 196 ? 0.1875 0.2003 0.2158 0.0269 0.0092 0.0085 195 ALA D CA 11015 C C . ALA D 196 ? 0.2013 0.2106 0.2276 0.0259 0.0076 0.0086 195 ALA D C 11016 O O . ALA D 196 ? 0.2008 0.2080 0.2249 0.0304 0.0088 0.0108 195 ALA D O 11017 C CB . ALA D 196 ? 0.1846 0.2105 0.2214 0.0290 0.0090 0.0123 195 ALA D CB 11018 N N . PRO D 197 ? 0.2036 0.2122 0.2305 0.0205 0.0052 0.0066 196 PRO D N 11019 C CA . PRO D 197 ? 0.2008 0.2066 0.2258 0.0190 0.0038 0.0067 196 PRO D CA 11020 C C . PRO D 197 ? 0.1909 0.2055 0.2214 0.0184 0.0015 0.0091 196 PRO D C 11021 O O . PRO D 197 ? 0.1889 0.2044 0.2202 0.0143 -0.0003 0.0081 196 PRO D O 11022 C CB . PRO D 197 ? 0.2025 0.2046 0.2260 0.0138 0.0029 0.0036 196 PRO D CB 11023 C CG . PRO D 197 ? 0.2067 0.2150 0.2351 0.0120 0.0022 0.0028 196 PRO D CG 11024 C CD . PRO D 197 ? 0.2028 0.2126 0.2315 0.0159 0.0040 0.0041 196 PRO D CD 11025 N N A TRP D 198 ? 0.1945 0.2156 0.2285 0.0224 0.0017 0.0125 197 TRP D N 11026 N N B TRP D 198 ? 0.1900 0.2111 0.2241 0.0223 0.0017 0.0125 197 TRP D N 11027 C CA A TRP D 198 ? 0.2034 0.2332 0.2423 0.0213 -0.0010 0.0154 197 TRP D CA 11028 C CA B TRP D 198 ? 0.1863 0.2177 0.2263 0.0210 -0.0011 0.0155 197 TRP D CA 11029 C C A TRP D 198 ? 0.2142 0.2381 0.2483 0.0203 -0.0023 0.0153 197 TRP D C 11030 C C B TRP D 198 ? 0.1852 0.2151 0.2232 0.0172 -0.0040 0.0153 197 TRP D C 11031 O O A TRP D 198 ? 0.2274 0.2440 0.2565 0.0236 -0.0006 0.0156 197 TRP D O 11032 O O B TRP D 198 ? 0.1765 0.2106 0.2167 0.0129 -0.0065 0.0152 197 TRP D O 11033 C CB A TRP D 198 ? 0.2057 0.2443 0.2496 0.0263 -0.0004 0.0200 197 TRP D CB 11034 C CB B TRP D 198 ? 0.1901 0.2286 0.2339 0.0267 -0.0002 0.0201 197 TRP D CB 11035 C CG A TRP D 198 ? 0.2047 0.2482 0.2522 0.0291 0.0021 0.0207 197 TRP D CG 11036 C CG B TRP D 198 ? 0.1897 0.2333 0.2372 0.0295 0.0022 0.0210 197 TRP D CG 11037 C CD1 A TRP D 198 ? 0.2065 0.2496 0.2533 0.0359 0.0058 0.0228 197 TRP D CD1 11038 C CD1 B TRP D 198 ? 0.1945 0.2374 0.2412 0.0364 0.0060 0.0229 197 TRP D CD1 11039 C CD2 A TRP D 198 ? 0.1993 0.2485 0.2509 0.0255 0.0016 0.0199 197 TRP D CD2 11040 C CD2 B TRP D 198 ? 0.1844 0.2337 0.2360 0.0259 0.0017 0.0201 197 TRP D CD2 11041 N NE1 A TRP D 198 ? 0.2051 0.2533 0.2554 0.0367 0.0078 0.0231 197 TRP D NE1 11042 N NE1 B TRP D 198 ? 0.1926 0.2409 0.2429 0.0371 0.0080 0.0233 197 TRP D NE1 11043 C CE2 A TRP D 198 ? 0.2009 0.2534 0.2544 0.0302 0.0050 0.0215 197 TRP D CE2 11044 C CE2 B TRP D 198 ? 0.1861 0.2387 0.2397 0.0306 0.0052 0.0217 197 TRP D CE2 11045 C CE3 A TRP D 198 ? 0.2051 0.2561 0.2581 0.0192 -0.0011 0.0181 197 TRP D CE3 11046 C CE3 B TRP D 198 ? 0.1816 0.2328 0.2347 0.0196 -0.0010 0.0183 197 TRP D CE3 11047 C CZ2 A TRP D 198 ? 0.2059 0.2637 0.2629 0.0281 0.0056 0.0212 197 TRP D CZ2 11048 C CZ2 B TRP D 198 ? 0.1843 0.2423 0.2414 0.0285 0.0057 0.0215 197 TRP D CZ2 11049 C CZ3 A TRP D 198 ? 0.2068 0.2626 0.2631 0.0174 -0.0007 0.0179 197 TRP D CZ3 11050 C CZ3 B TRP D 198 ? 0.1790 0.2350 0.2354 0.0177 -0.0007 0.0181 197 TRP D CZ3 11051 C CH2 A TRP D 198 ? 0.1919 0.2513 0.2503 0.0215 0.0024 0.0195 197 TRP D CH2 11052 C CH2 B TRP D 198 ? 0.1770 0.2367 0.2356 0.0219 0.0025 0.0197 197 TRP D CH2 11053 N N A GLY D 199 ? 0.2219 0.2479 0.2566 0.0158 -0.0051 0.0151 198 GLY D N 11054 N N B GLY D 199 ? 0.1941 0.2169 0.2269 0.0185 -0.0036 0.0153 198 GLY D N 11055 C CA A GLY D 199 ? 0.2209 0.2411 0.2504 0.0147 -0.0061 0.0152 198 GLY D CA 11056 C CA B GLY D 199 ? 0.2006 0.2206 0.2302 0.0152 -0.0058 0.0151 198 GLY D CA 11057 C C A GLY D 199 ? 0.2205 0.2309 0.2443 0.0125 -0.0043 0.0116 198 GLY D C 11058 C C B GLY D 199 ? 0.2071 0.2174 0.2309 0.0127 -0.0042 0.0116 198 GLY D C 11059 O O A GLY D 199 ? 0.2118 0.2167 0.2307 0.0118 -0.0046 0.0118 198 GLY D O 11060 O O B GLY D 199 ? 0.2095 0.2144 0.2285 0.0120 -0.0045 0.0118 198 GLY D O 11061 N N . GLY D 200 ? 0.2081 0.2169 0.2327 0.0113 -0.0027 0.0088 199 GLY D N 11062 C CA . GLY D 200 ? 0.2114 0.2132 0.2322 0.0084 -0.0013 0.0060 199 GLY D CA 11063 C C . GLY D 200 ? 0.2313 0.2249 0.2468 0.0102 0.0005 0.0056 199 GLY D C 11064 O O . GLY D 200 ? 0.2439 0.2356 0.2574 0.0145 0.0011 0.0075 199 GLY D O 11065 N N . VAL D 201 ? 0.2303 0.2187 0.2429 0.0069 0.0014 0.0035 200 VAL D N 11066 C CA . VAL D 201 ? 0.2383 0.2173 0.2442 0.0071 0.0029 0.0030 200 VAL D CA 11067 C C . VAL D 201 ? 0.2358 0.2099 0.2378 0.0032 0.0032 0.0025 200 VAL D C 11068 O O . VAL D 201 ? 0.2025 0.1806 0.2077 0.0000 0.0031 0.0017 200 VAL D O 11069 C CB . VAL D 201 ? 0.2663 0.2432 0.2717 0.0061 0.0036 0.0013 200 VAL D CB 11070 C CG1 . VAL D 201 ? 0.2842 0.2655 0.2927 0.0100 0.0038 0.0019 200 VAL D CG1 11071 C CG2 . VAL D 201 ? 0.2783 0.2595 0.2878 0.0014 0.0030 -0.0003 200 VAL D CG2 11072 N N . ALA D 202 ? 0.2410 0.2055 0.2353 0.0039 0.0040 0.0032 201 ALA D N 11073 C CA . ALA D 202 ? 0.2468 0.2061 0.2366 0.0002 0.0045 0.0032 201 ALA D CA 11074 C C . ALA D 202 ? 0.2536 0.2141 0.2451 -0.0052 0.0050 0.0016 201 ALA D C 11075 O O . ALA D 202 ? 0.2583 0.2203 0.2504 -0.0086 0.0056 0.0017 201 ALA D O 11076 C CB . ALA D 202 ? 0.2674 0.2149 0.2474 0.0021 0.0052 0.0043 201 ALA D CB 11077 N N . LYS D 203 ? 0.2657 0.2257 0.2577 -0.0062 0.0047 0.0005 202 LYS D N 11078 C CA . LYS D 203 ? 0.2888 0.2502 0.2822 -0.0120 0.0046 -0.0002 202 LYS D CA 11079 C C . LYS D 203 ? 0.2484 0.2211 0.2510 -0.0138 0.0048 -0.0004 202 LYS D C 11080 O O . LYS D 203 ? 0.2283 0.2037 0.2330 -0.0183 0.0051 -0.0002 202 LYS D O 11081 C CB . LYS D 203 ? 0.3609 0.3180 0.3512 -0.0133 0.0038 -0.0012 202 LYS D CB 11082 C CG . LYS D 203 ? 0.4183 0.3826 0.4149 -0.0113 0.0031 -0.0020 202 LYS D CG 11083 C CD . LYS D 203 ? 0.5114 0.4695 0.5027 -0.0133 0.0022 -0.0029 202 LYS D CD 11084 C CE . LYS D 203 ? 0.5810 0.5384 0.5712 -0.0204 0.0010 -0.0028 202 LYS D CE 11085 N NZ . LYS D 203 ? 0.6424 0.5983 0.6307 -0.0232 -0.0008 -0.0036 202 LYS D NZ 11086 N N . THR D 204 ? 0.2349 0.2137 0.2424 -0.0104 0.0046 -0.0005 203 THR D N 11087 C CA . THR D 204 ? 0.2318 0.2188 0.2457 -0.0113 0.0052 -0.0006 203 THR D CA 11088 C C . THR D 204 ? 0.2254 0.2117 0.2378 -0.0138 0.0071 0.0000 203 THR D C 11089 O O . THR D 204 ? 0.2149 0.2070 0.2319 -0.0156 0.0084 0.0002 203 THR D O 11090 C CB . THR D 204 ? 0.2317 0.2225 0.2482 -0.0078 0.0046 -0.0007 203 THR D CB 11091 O OG1 . THR D 204 ? 0.2734 0.2599 0.2852 -0.0059 0.0042 0.0002 203 THR D OG1 11092 C CG2 . THR D 204 ? 0.2365 0.2295 0.2555 -0.0056 0.0032 -0.0012 203 THR D CG2 11093 N N . LEU D 205 ? 0.2275 0.2068 0.2333 -0.0136 0.0074 0.0008 204 LEU D N 11094 C CA . LEU D 205 ? 0.2456 0.2235 0.2489 -0.0163 0.0094 0.0016 204 LEU D CA 11095 C C . LEU D 205 ? 0.2337 0.2133 0.2387 -0.0212 0.0105 0.0022 204 LEU D C 11096 O O . LEU D 205 ? 0.2343 0.2188 0.2425 -0.0232 0.0127 0.0029 204 LEU D O 11097 C CB . LEU D 205 ? 0.2775 0.2464 0.2724 -0.0156 0.0093 0.0026 204 LEU D CB 11098 C CG . LEU D 205 ? 0.2931 0.2604 0.2851 -0.0121 0.0083 0.0032 204 LEU D CG 11099 C CD1 . LEU D 205 ? 0.3005 0.2714 0.2936 -0.0126 0.0097 0.0031 204 LEU D CD1 11100 C CD2 . LEU D 205 ? 0.2909 0.2604 0.2853 -0.0082 0.0061 0.0031 204 LEU D CD2 11101 N N . ARG D 206 ? 0.2484 0.2233 0.2504 -0.0232 0.0090 0.0020 205 ARG D N 11102 C CA . ARG D 206 ? 0.2581 0.2345 0.2611 -0.0291 0.0091 0.0029 205 ARG D CA 11103 C C . ARG D 206 ? 0.2470 0.2354 0.2602 -0.0300 0.0091 0.0031 205 ARG D C 11104 O O . ARG D 206 ? 0.2248 0.2202 0.2429 -0.0336 0.0105 0.0047 205 ARG D O 11105 C CB . ARG D 206 ? 0.2953 0.2618 0.2906 -0.0315 0.0071 0.0026 205 ARG D CB 11106 C CG . ARG D 206 ? 0.3350 0.3028 0.3306 -0.0390 0.0065 0.0038 205 ARG D CG 11107 C CD . ARG D 206 ? 0.3974 0.3523 0.3822 -0.0429 0.0045 0.0036 205 ARG D CD 11108 N NE . ARG D 206 ? 0.4264 0.3788 0.4098 -0.0415 0.0024 0.0021 205 ARG D NE 11109 C CZ . ARG D 206 ? 0.4701 0.4287 0.4579 -0.0456 0.0003 0.0024 205 ARG D CZ 11110 N NH1 . ARG D 206 ? 0.4573 0.4265 0.4528 -0.0512 0.0000 0.0044 205 ARG D NH1 11111 N NH2 . ARG D 206 ? 0.4685 0.4228 0.4531 -0.0438 -0.0013 0.0009 205 ARG D NH2 11112 N N . VAL D 207 ? 0.2329 0.2242 0.2495 -0.0265 0.0076 0.0018 206 VAL D N 11113 C CA . VAL D 207 ? 0.2328 0.2348 0.2586 -0.0265 0.0073 0.0021 206 VAL D CA 11114 C C . VAL D 207 ? 0.2272 0.2370 0.2587 -0.0253 0.0104 0.0031 206 VAL D C 11115 O O . VAL D 207 ? 0.2188 0.2372 0.2569 -0.0276 0.0115 0.0049 206 VAL D O 11116 C CB . VAL D 207 ? 0.2359 0.2386 0.2634 -0.0224 0.0057 0.0006 206 VAL D CB 11117 C CG1 . VAL D 207 ? 0.2347 0.2476 0.2709 -0.0217 0.0056 0.0010 206 VAL D CG1 11118 C CG2 . VAL D 207 ? 0.2478 0.2432 0.2695 -0.0233 0.0034 -0.0002 206 VAL D CG2 11119 N N . LEU D 208 ? 0.2261 0.2325 0.2544 -0.0217 0.0119 0.0024 207 LEU D N 11120 C CA . LEU D 208 ? 0.2181 0.2290 0.2492 -0.0199 0.0152 0.0030 207 LEU D CA 11121 C C . LEU D 208 ? 0.2166 0.2286 0.2470 -0.0231 0.0182 0.0048 207 LEU D C 11122 O O . LEU D 208 ? 0.2166 0.2364 0.2527 -0.0229 0.0213 0.0063 207 LEU D O 11123 C CB . LEU D 208 ? 0.2208 0.2262 0.2467 -0.0162 0.0155 0.0017 207 LEU D CB 11124 C CG . LEU D 208 ? 0.2261 0.2323 0.2537 -0.0131 0.0131 0.0003 207 LEU D CG 11125 C CD1 . LEU D 208 ? 0.2426 0.2431 0.2644 -0.0110 0.0121 -0.0003 207 LEU D CD1 11126 C CD2 . LEU D 208 ? 0.2267 0.2396 0.2602 -0.0113 0.0145 0.0004 207 LEU D CD2 11127 N N . ALA D 209 ? 0.2206 0.2250 0.2441 -0.0261 0.0176 0.0051 208 ALA D N 11128 C CA . ALA D 209 ? 0.2282 0.2328 0.2502 -0.0297 0.0205 0.0070 208 ALA D CA 11129 C C . ALA D 209 ? 0.2272 0.2408 0.2563 -0.0346 0.0206 0.0092 208 ALA D C 11130 O O . ALA D 209 ? 0.2358 0.2581 0.2708 -0.0355 0.0241 0.0113 208 ALA D O 11131 C CB . ALA D 209 ? 0.2345 0.2273 0.2461 -0.0317 0.0195 0.0069 208 ALA D CB 11132 N N . SER D 210 ? 0.2409 0.2523 0.2692 -0.0380 0.0169 0.0090 209 SER D N 11133 C CA . SER D 210 ? 0.2457 0.2633 0.2781 -0.0447 0.0160 0.0115 209 SER D CA 11134 C C . SER D 210 ? 0.2466 0.2699 0.2846 -0.0462 0.0124 0.0116 209 SER D C 11135 O O . SER D 210 ? 0.2545 0.2834 0.2959 -0.0525 0.0108 0.0140 209 SER D O 11136 C CB . SER D 210 ? 0.2647 0.2712 0.2872 -0.0503 0.0151 0.0119 209 SER D CB 11137 O OG . SER D 210 ? 0.2679 0.2609 0.2806 -0.0482 0.0126 0.0095 209 SER D OG 11138 N N . GLY D 211 ? 0.2498 0.2723 0.2888 -0.0409 0.0110 0.0094 210 GLY D N 11139 C CA . GLY D 211 ? 0.2691 0.2969 0.3130 -0.0416 0.0077 0.0094 210 GLY D CA 11140 C C . GLY D 211 ? 0.3019 0.3184 0.3367 -0.0449 0.0040 0.0080 210 GLY D C 11141 O O . GLY D 211 ? 0.3037 0.3099 0.3295 -0.0480 0.0039 0.0078 210 GLY D O 11142 N N . ASP D 212 ? 0.3115 0.3289 0.3476 -0.0440 0.0012 0.0071 211 ASP D N 11143 C CA . ASP D 212 ? 0.3523 0.3585 0.3789 -0.0468 -0.0019 0.0057 211 ASP D CA 11144 C C . ASP D 212 ? 0.3507 0.3634 0.3815 -0.0507 -0.0055 0.0069 211 ASP D C 11145 O O . ASP D 212 ? 0.3433 0.3614 0.3793 -0.0468 -0.0062 0.0063 211 ASP D O 11146 C CB . ASP D 212 ? 0.3710 0.3684 0.3919 -0.0403 -0.0015 0.0029 211 ASP D CB 11147 C CG . ASP D 212 ? 0.4267 0.4106 0.4360 -0.0418 -0.0037 0.0014 211 ASP D CG 11148 O OD1 . ASP D 212 ? 0.4003 0.3798 0.4045 -0.0486 -0.0059 0.0023 211 ASP D OD1 11149 O OD2 . ASP D 212 ? 0.4997 0.4769 0.5045 -0.0363 -0.0029 -0.0003 211 ASP D OD2 11150 N N . ASN D 213 ? 0.3888 0.4009 0.4171 -0.0588 -0.0079 0.0088 212 ASN D N 11151 C CA . ASN D 213 ? 0.4135 0.4311 0.4445 -0.0641 -0.0123 0.0105 212 ASN D CA 11152 C C . ASN D 213 ? 0.4963 0.4976 0.5127 -0.0682 -0.0157 0.0086 212 ASN D C 11153 O O . ASN D 213 ? 0.4924 0.4948 0.5073 -0.0748 -0.0200 0.0100 212 ASN D O 11154 C CB . ASN D 213 ? 0.3998 0.4295 0.4385 -0.0716 -0.0134 0.0147 212 ASN D CB 11155 C CG . ASN D 213 ? 0.4405 0.4596 0.4687 -0.0798 -0.0145 0.0154 212 ASN D CG 11156 O OD1 . ASN D 213 ? 0.4474 0.4499 0.4629 -0.0785 -0.0133 0.0127 212 ASN D OD1 11157 N ND2 . ASN D 213 ? 0.4228 0.4514 0.4561 -0.0885 -0.0168 0.0194 212 ASN D ND2 11158 N N . ASN D 214 ? 0.5294 0.5153 0.5345 -0.0640 -0.0137 0.0056 213 ASN D N 11159 C CA . ASN D 214 ? 0.5830 0.5507 0.5718 -0.0672 -0.0159 0.0039 213 ASN D CA 11160 C C . ASN D 214 ? 0.6012 0.5685 0.5883 -0.0681 -0.0193 0.0032 213 ASN D C 11161 O O . ASN D 214 ? 0.6204 0.5746 0.5945 -0.0732 -0.0221 0.0026 213 ASN D O 11162 C CB . ASN D 214 ? 0.6140 0.5673 0.5927 -0.0602 -0.0126 0.0011 213 ASN D CB 11163 C CG . ASN D 214 ? 0.6312 0.5786 0.6057 -0.0609 -0.0101 0.0017 213 ASN D CG 11164 O OD1 . ASN D 214 ? 0.6687 0.6225 0.6475 -0.0669 -0.0105 0.0040 213 ASN D OD1 11165 N ND2 . ASN D 214 ? 0.6367 0.5726 0.6031 -0.0547 -0.0076 0.0000 213 ASN D ND2 11166 N N . ARG D 215 ? 0.5975 0.5779 0.5964 -0.0632 -0.0191 0.0034 214 ARG D N 11167 C CA . ARG D 215 ? 0.6141 0.5948 0.6118 -0.0635 -0.0222 0.0030 214 ARG D CA 11168 C C . ARG D 215 ? 0.6273 0.6245 0.6369 -0.0683 -0.0257 0.0063 214 ARG D C 11169 O O . ARG D 215 ? 0.6274 0.6294 0.6403 -0.0670 -0.0280 0.0065 214 ARG D O 11170 C CB . ARG D 215 ? 0.6389 0.6197 0.6388 -0.0542 -0.0195 0.0007 214 ARG D CB 11171 C CG . ARG D 215 ? 0.6875 0.6519 0.6747 -0.0500 -0.0167 -0.0019 214 ARG D CG 11172 C CD . ARG D 215 ? 0.7352 0.6996 0.7237 -0.0420 -0.0145 -0.0037 214 ARG D CD 11173 N NE . ARG D 215 ? 0.8236 0.7802 0.8072 -0.0361 -0.0107 -0.0050 214 ARG D NE 11174 C CZ . ARG D 215 ? 0.9002 0.8582 0.8862 -0.0289 -0.0083 -0.0059 214 ARG D CZ 11175 N NH1 . ARG D 215 ? 0.9113 0.8769 0.9034 -0.0268 -0.0089 -0.0061 214 ARG D NH1 11176 N NH2 . ARG D 215 ? 0.9068 0.8588 0.8889 -0.0241 -0.0053 -0.0064 214 ARG D NH2 11177 N N . ILE D 216 ? 0.6214 0.6273 0.6374 -0.0737 -0.0262 0.0093 215 ILE D N 11178 C CA . ILE D 216 ? 0.5880 0.6119 0.6170 -0.0780 -0.0291 0.0135 215 ILE D CA 11179 C C . ILE D 216 ? 0.5562 0.5849 0.5876 -0.0854 -0.0292 0.0166 215 ILE D C 11180 O O . ILE D 216 ? 0.4990 0.5428 0.5436 -0.0838 -0.0266 0.0193 215 ILE D O 11181 C CB . ILE D 216 ? 0.6062 0.6456 0.6503 -0.0696 -0.0264 0.0143 215 ILE D CB 11182 C CG1 . ILE D 216 ? 0.6073 0.6666 0.6661 -0.0726 -0.0285 0.0193 215 ILE D CG1 11183 C CG2 . ILE D 216 ? 0.6216 0.6608 0.6685 -0.0630 -0.0205 0.0128 215 ILE D CG2 11184 C CD1 . ILE D 216 ? 0.6252 0.6956 0.6946 -0.0650 -0.0276 0.0199 215 ILE D CD1 11185 N N . PRO D 217 ? 0.5528 0.5670 0.5700 -0.0936 -0.0318 0.0161 216 PRO D N 11186 C CA . PRO D 217 ? 0.5418 0.5558 0.5574 -0.1013 -0.0317 0.0186 216 PRO D CA 11187 C C . PRO D 217 ? 0.5488 0.5829 0.5780 -0.1089 -0.0347 0.0242 216 PRO D C 11188 O O . PRO D 217 ? 0.5406 0.5797 0.5730 -0.1138 -0.0333 0.0269 216 PRO D O 11189 C CB . PRO D 217 ? 0.5701 0.5614 0.5649 -0.1083 -0.0348 0.0165 216 PRO D CB 11190 C CG . PRO D 217 ? 0.5798 0.5655 0.5688 -0.1073 -0.0382 0.0148 216 PRO D CG 11191 C CD . PRO D 217 ? 0.5710 0.5656 0.5708 -0.0955 -0.0345 0.0131 216 PRO D CD 11192 N N . VAL D 218 ? 0.5547 0.6009 0.5922 -0.1099 -0.0387 0.0265 217 VAL D N 11193 C CA . VAL D 218 ? 0.5603 0.6289 0.6134 -0.1157 -0.0413 0.0327 217 VAL D CA 11194 C C . VAL D 218 ? 0.5431 0.6308 0.6145 -0.1070 -0.0355 0.0348 217 VAL D C 11195 O O . VAL D 218 ? 0.5495 0.6571 0.6353 -0.1101 -0.0358 0.0403 217 VAL D O 11196 C CB . VAL D 218 ? 0.5799 0.6552 0.6354 -0.1198 -0.0481 0.0350 217 VAL D CB 11197 C CG1 . VAL D 218 ? 0.5947 0.6784 0.6597 -0.1088 -0.0464 0.0340 217 VAL D CG1 11198 C CG2 . VAL D 218 ? 0.6143 0.7093 0.6817 -0.1298 -0.0525 0.0421 217 VAL D CG2 11199 N N . ILE D 219 ? 0.4889 0.5705 0.5594 -0.0961 -0.0302 0.0307 218 ILE D N 11200 C CA . ILE D 219 ? 0.4576 0.5527 0.5414 -0.0879 -0.0241 0.0320 218 ILE D CA 11201 C C . ILE D 219 ? 0.4238 0.5097 0.5018 -0.0860 -0.0186 0.0298 218 ILE D C 11202 O O . ILE D 219 ? 0.3758 0.4430 0.4397 -0.0852 -0.0181 0.0256 218 ILE D O 11203 C CB . ILE D 219 ? 0.4704 0.5675 0.5588 -0.0769 -0.0220 0.0297 218 ILE D CB 11204 C CG1 . ILE D 219 ? 0.4659 0.5712 0.5593 -0.0781 -0.0274 0.0318 218 ILE D CG1 11205 C CG2 . ILE D 219 ? 0.4672 0.5761 0.5671 -0.0691 -0.0155 0.0311 218 ILE D CG2 11206 C CD1 . ILE D 219 ? 0.4351 0.5624 0.5436 -0.0823 -0.0299 0.0386 218 ILE D CD1 11207 N N . GLY D 220 ? 0.3904 0.4900 0.4794 -0.0843 -0.0142 0.0330 219 GLY D N 11208 C CA . GLY D 220 ? 0.3930 0.4861 0.4776 -0.0829 -0.0090 0.0318 219 GLY D CA 11209 C C . GLY D 220 ? 0.3673 0.4478 0.4450 -0.0733 -0.0053 0.0267 219 GLY D C 11210 O O . GLY D 220 ? 0.3422 0.4268 0.4251 -0.0655 -0.0042 0.0254 219 GLY D O 11211 N N . PRO D 221 ? 0.3635 0.4285 0.4292 -0.0740 -0.0037 0.0239 220 PRO D N 11212 C CA . PRO D 221 ? 0.3497 0.4045 0.4097 -0.0652 -0.0005 0.0197 220 PRO D CA 11213 C C . PRO D 221 ? 0.3142 0.3792 0.3835 -0.0581 0.0048 0.0206 220 PRO D C 11214 O O . PRO D 221 ? 0.3231 0.3859 0.3924 -0.0506 0.0062 0.0181 220 PRO D O 11215 C CB . PRO D 221 ? 0.3648 0.4032 0.4114 -0.0683 0.0000 0.0179 220 PRO D CB 11216 C CG . PRO D 221 ? 0.3800 0.4238 0.4282 -0.0775 -0.0003 0.0218 220 PRO D CG 11217 C CD . PRO D 221 ? 0.3777 0.4341 0.4344 -0.0826 -0.0045 0.0248 220 PRO D CD 11218 N N . LEU D 222 ? 0.3156 0.3921 0.3925 -0.0606 0.0079 0.0243 221 LEU D N 11219 C CA . LEU D 222 ? 0.3215 0.4063 0.4056 -0.0535 0.0137 0.0253 221 LEU D CA 11220 C C . LEU D 222 ? 0.3168 0.4140 0.4118 -0.0476 0.0140 0.0265 221 LEU D C 11221 O O . LEU D 222 ? 0.3189 0.4170 0.4157 -0.0398 0.0181 0.0256 221 LEU D O 11222 C CB . LEU D 222 ? 0.3267 0.4206 0.4158 -0.0573 0.0177 0.0293 221 LEU D CB 11223 C CG . LEU D 222 ? 0.3441 0.4257 0.4221 -0.0627 0.0184 0.0285 221 LEU D CG 11224 C CD1 . LEU D 222 ? 0.3632 0.4556 0.4474 -0.0655 0.0233 0.0327 221 LEU D CD1 11225 C CD2 . LEU D 222 ? 0.3310 0.3959 0.3971 -0.0571 0.0199 0.0238 221 LEU D CD2 11226 N N . LYS D 223 ? 0.3249 0.4303 0.4259 -0.0515 0.0093 0.0288 222 LYS D N 11227 C CA . LYS D 223 ? 0.3372 0.4535 0.4478 -0.0463 0.0087 0.0302 222 LYS D CA 11228 C C . LYS D 223 ? 0.3011 0.4056 0.4046 -0.0406 0.0071 0.0255 222 LYS D C 11229 O O . LYS D 223 ? 0.3211 0.4273 0.4273 -0.0328 0.0100 0.0247 222 LYS D O 11230 C CB . LYS D 223 ? 0.3598 0.4880 0.4779 -0.0533 0.0033 0.0343 222 LYS D CB 11231 C CG . LYS D 223 ? 0.3856 0.5268 0.5146 -0.0483 0.0021 0.0369 222 LYS D CG 11232 C CD . LYS D 223 ? 0.4203 0.5763 0.5585 -0.0557 -0.0030 0.0422 222 LYS D CD 11233 C CE . LYS D 223 ? 0.4329 0.6094 0.5853 -0.0574 0.0000 0.0489 222 LYS D CE 11234 N NZ . LYS D 223 ? 0.4501 0.6310 0.6074 -0.0480 0.0084 0.0493 222 LYS D NZ 11235 N N . ILE D 224 ? 0.2989 0.3909 0.3925 -0.0443 0.0029 0.0225 223 ILE D N 11236 C CA . ILE D 224 ? 0.2893 0.3709 0.3764 -0.0394 0.0015 0.0184 223 ILE D CA 11237 C C . ILE D 224 ? 0.2713 0.3438 0.3526 -0.0333 0.0058 0.0152 223 ILE D C 11238 O O . ILE D 224 ? 0.2659 0.3339 0.3450 -0.0280 0.0058 0.0128 223 ILE D O 11239 C CB . ILE D 224 ? 0.3142 0.3846 0.3918 -0.0445 -0.0034 0.0163 223 ILE D CB 11240 C CG1 . ILE D 224 ? 0.3379 0.4017 0.4115 -0.0397 -0.0050 0.0132 223 ILE D CG1 11241 C CG2 . ILE D 224 ? 0.3261 0.3833 0.3928 -0.0475 -0.0026 0.0143 223 ILE D CG2 11242 C CD1 . ILE D 224 ? 0.3633 0.4377 0.4456 -0.0372 -0.0066 0.0151 223 ILE D CD1 11243 N N . ARG D 225 ? 0.2452 0.3148 0.3234 -0.0347 0.0089 0.0155 224 ARG D N 11244 C CA . ARG D 225 ? 0.2466 0.3078 0.3187 -0.0299 0.0125 0.0130 224 ARG D CA 11245 C C . ARG D 225 ? 0.2532 0.3192 0.3300 -0.0228 0.0158 0.0130 224 ARG D C 11246 O O . ARG D 225 ? 0.2330 0.2909 0.3040 -0.0184 0.0166 0.0103 224 ARG D O 11247 C CB . ARG D 225 ? 0.2430 0.3022 0.3121 -0.0329 0.0155 0.0141 224 ARG D CB 11248 C CG . ARG D 225 ? 0.2459 0.2949 0.3068 -0.0291 0.0184 0.0117 224 ARG D CG 11249 C CD . ARG D 225 ? 0.2404 0.2875 0.2979 -0.0322 0.0215 0.0131 224 ARG D CD 11250 N NE . ARG D 225 ? 0.2460 0.3054 0.3121 -0.0319 0.0258 0.0165 224 ARG D NE 11251 C CZ . ARG D 225 ? 0.2575 0.3187 0.3230 -0.0349 0.0292 0.0186 224 ARG D CZ 11252 N NH1 . ARG D 225 ? 0.2510 0.3013 0.3070 -0.0385 0.0287 0.0176 224 ARG D NH1 11253 N NH2 . ARG D 225 ? 0.2699 0.3438 0.3444 -0.0341 0.0335 0.0222 224 ARG D NH2 11254 N N . GLU D 226 ? 0.2700 0.3491 0.3569 -0.0217 0.0173 0.0164 225 GLU D N 11255 C CA . GLU D 226 ? 0.3279 0.4113 0.4189 -0.0144 0.0207 0.0168 225 GLU D CA 11256 C C . GLU D 226 ? 0.3092 0.3860 0.3965 -0.0108 0.0180 0.0140 225 GLU D C 11257 O O . GLU D 226 ? 0.3271 0.3970 0.4093 -0.0059 0.0204 0.0119 225 GLU D O 11258 C CB . GLU D 226 ? 0.3797 0.4795 0.4832 -0.0138 0.0216 0.0215 225 GLU D CB 11259 C CG . GLU D 226 ? 0.4550 0.5646 0.5644 -0.0172 0.0248 0.0254 225 GLU D CG 11260 C CD . GLU D 226 ? 0.5443 0.6724 0.6675 -0.0191 0.0237 0.0309 225 GLU D CD 11261 O OE1 . GLU D 226 ? 0.5580 0.6908 0.6858 -0.0178 0.0199 0.0316 225 GLU D OE1 11262 O OE2 . GLU D 226 ? 0.6117 0.7506 0.7417 -0.0221 0.0264 0.0349 225 GLU D OE2 11263 N N . GLN D 227 ? 0.3076 0.3854 0.3962 -0.0138 0.0130 0.0138 226 GLN D N 11264 C CA . GLN D 227 ? 0.2992 0.3709 0.3841 -0.0110 0.0105 0.0113 226 GLN D CA 11265 C C . GLN D 227 ? 0.2605 0.3194 0.3355 -0.0110 0.0100 0.0077 226 GLN D C 11266 O O . GLN D 227 ? 0.2507 0.3040 0.3219 -0.0072 0.0104 0.0057 226 GLN D O 11267 C CB . GLN D 227 ? 0.3208 0.3960 0.4084 -0.0144 0.0054 0.0121 226 GLN D CB 11268 C CG . GLN D 227 ? 0.3225 0.3921 0.4067 -0.0114 0.0032 0.0099 226 GLN D CG 11269 C CD . GLN D 227 ? 0.3392 0.3970 0.4142 -0.0125 0.0016 0.0064 226 GLN D CD 11270 O OE1 . GLN D 227 ? 0.3816 0.4338 0.4527 -0.0092 0.0019 0.0044 226 GLN D OE1 11271 N NE2 . GLN D 227 ? 0.3877 0.4418 0.4589 -0.0174 0.0000 0.0061 226 GLN D NE2 11272 N N . GLN D 228 ? 0.2391 0.2933 0.3097 -0.0155 0.0088 0.0071 227 GLN D N 11273 C CA . GLN D 228 ? 0.2277 0.2709 0.2897 -0.0152 0.0079 0.0043 227 GLN D CA 11274 C C . GLN D 228 ? 0.2016 0.2402 0.2597 -0.0116 0.0111 0.0031 227 GLN D C 11275 O O . GLN D 228 ? 0.2027 0.2351 0.2560 -0.0094 0.0102 0.0012 227 GLN D O 11276 C CB . GLN D 228 ? 0.2426 0.2810 0.2999 -0.0203 0.0065 0.0043 227 GLN D CB 11277 C CG . GLN D 228 ? 0.2638 0.3030 0.3216 -0.0243 0.0026 0.0048 227 GLN D CG 11278 C CD . GLN D 228 ? 0.2874 0.3219 0.3403 -0.0303 0.0013 0.0054 227 GLN D CD 11279 O OE1 . GLN D 228 ? 0.2595 0.2947 0.3122 -0.0327 0.0033 0.0067 227 GLN D OE1 11280 N NE2 . GLN D 228 ? 0.3279 0.3564 0.3755 -0.0329 -0.0019 0.0045 227 GLN D NE2 11281 N N . ARG D 229 ? 0.2105 0.2522 0.2702 -0.0112 0.0147 0.0046 228 ARG D N 11282 C CA . ARG D 229 ? 0.2066 0.2427 0.2609 -0.0080 0.0179 0.0036 228 ARG D CA 11283 C C . ARG D 229 ? 0.2087 0.2439 0.2627 -0.0034 0.0185 0.0027 228 ARG D C 11284 O O . ARG D 229 ? 0.2315 0.2590 0.2787 -0.0017 0.0189 0.0011 228 ARG D O 11285 C CB . ARG D 229 ? 0.2096 0.2495 0.2656 -0.0081 0.0224 0.0055 228 ARG D CB 11286 C CG . ARG D 229 ? 0.2020 0.2390 0.2545 -0.0126 0.0225 0.0060 228 ARG D CG 11287 C CD . ARG D 229 ? 0.2117 0.2537 0.2666 -0.0130 0.0273 0.0084 228 ARG D CD 11288 N NE . ARG D 229 ? 0.2093 0.2466 0.2592 -0.0173 0.0275 0.0088 228 ARG D NE 11289 C CZ . ARG D 229 ? 0.2341 0.2740 0.2842 -0.0188 0.0316 0.0108 228 ARG D CZ 11290 N NH1 . ARG D 229 ? 0.2353 0.2831 0.2908 -0.0157 0.0364 0.0128 228 ARG D NH1 11291 N NH2 . ARG D 229 ? 0.2337 0.2678 0.2779 -0.0230 0.0314 0.0110 228 ARG D NH2 11292 N N . SER D 230 ? 0.2005 0.2431 0.2615 -0.0018 0.0184 0.0041 229 SER D N 11293 C CA . SER D 230 ? 0.2012 0.2424 0.2616 0.0027 0.0195 0.0036 229 SER D CA 11294 C C . SER D 230 ? 0.2069 0.2416 0.2627 0.0027 0.0158 0.0014 229 SER D C 11295 O O . SER D 230 ? 0.2234 0.2533 0.2752 0.0056 0.0166 0.0005 229 SER D O 11296 C CB . SER D 230 ? 0.1973 0.2488 0.2668 0.0050 0.0202 0.0063 229 SER D CB 11297 O OG . SER D 230 ? 0.2008 0.2560 0.2742 0.0027 0.0157 0.0065 229 SER D OG 11298 N N . ALA D 231 ? 0.1995 0.2340 0.2555 -0.0005 0.0122 0.0007 230 ALA D N 11299 C CA . ALA D 231 ? 0.2044 0.2342 0.2569 -0.0005 0.0092 -0.0009 230 ALA D CA 11300 C C . ALA D 231 ? 0.2074 0.2298 0.2528 -0.0008 0.0092 -0.0022 230 ALA D C 11301 O O . ALA D 231 ? 0.2334 0.2539 0.2767 -0.0027 0.0090 -0.0023 230 ALA D O 11302 C CB . ALA D 231 ? 0.2018 0.2335 0.2563 -0.0033 0.0060 -0.0009 230 ALA D CB 11303 N N . VAL D 232 ? 0.2044 0.2226 0.2458 0.0008 0.0093 -0.0030 231 VAL D N 11304 C CA . VAL D 232 ? 0.2056 0.2173 0.2401 0.0000 0.0086 -0.0038 231 VAL D CA 11305 C C . VAL D 232 ? 0.2047 0.2168 0.2393 -0.0017 0.0058 -0.0039 231 VAL D C 11306 O O . VAL D 232 ? 0.2047 0.2137 0.2355 -0.0027 0.0053 -0.0038 231 VAL D O 11307 C CB . VAL D 232 ? 0.2110 0.2179 0.2408 0.0010 0.0082 -0.0045 231 VAL D CB 11308 C CG1 . VAL D 232 ? 0.2100 0.2107 0.2323 -0.0007 0.0070 -0.0048 231 VAL D CG1 11309 C CG2 . VAL D 232 ? 0.2302 0.2354 0.2588 0.0039 0.0116 -0.0043 231 VAL D CG2 11310 N N . SER D 233 ? 0.2058 0.2212 0.2442 -0.0019 0.0040 -0.0039 232 SER D N 11311 C CA . SER D 233 ? 0.2001 0.2153 0.2381 -0.0026 0.0020 -0.0038 232 SER D CA 11312 C C . SER D 233 ? 0.2030 0.2166 0.2396 -0.0035 0.0025 -0.0035 232 SER D C 11313 O O . SER D 233 ? 0.1938 0.2057 0.2283 -0.0033 0.0015 -0.0031 232 SER D O 11314 C CB . SER D 233 ? 0.2063 0.2241 0.2474 -0.0025 0.0007 -0.0039 232 SER D CB 11315 O OG . SER D 233 ? 0.1987 0.2192 0.2430 -0.0031 0.0011 -0.0038 232 SER D OG 11316 N N . THR D 234 ? 0.2012 0.2158 0.2391 -0.0045 0.0041 -0.0032 233 THR D N 11317 C CA . THR D 234 ? 0.2257 0.2376 0.2612 -0.0060 0.0047 -0.0028 233 THR D CA 11318 C C . THR D 234 ? 0.2232 0.2311 0.2538 -0.0056 0.0052 -0.0026 233 THR D C 11319 O O . THR D 234 ? 0.2347 0.2394 0.2622 -0.0056 0.0043 -0.0021 233 THR D O 11320 C CB . THR D 234 ? 0.2568 0.2718 0.2952 -0.0078 0.0063 -0.0021 233 THR D CB 11321 O OG1 . THR D 234 ? 0.2913 0.3105 0.3341 -0.0085 0.0050 -0.0020 233 THR D OG1 11322 C CG2 . THR D 234 ? 0.2656 0.2771 0.3008 -0.0102 0.0067 -0.0016 233 THR D CG2 11323 N N . SER D 235 ? 0.2072 0.2144 0.2363 -0.0051 0.0066 -0.0027 234 SER D N 11324 C CA . SER D 235 ? 0.2041 0.2067 0.2273 -0.0053 0.0068 -0.0025 234 SER D CA 11325 C C . SER D 235 ? 0.1915 0.1931 0.2126 -0.0049 0.0038 -0.0021 234 SER D C 11326 O O . SER D 235 ? 0.1902 0.1891 0.2075 -0.0052 0.0027 -0.0013 234 SER D O 11327 C CB . SER D 235 ? 0.2113 0.2118 0.2316 -0.0048 0.0094 -0.0028 234 SER D CB 11328 O OG . SER D 235 ? 0.2113 0.2138 0.2337 -0.0050 0.0127 -0.0023 234 SER D OG 11329 N N . TRP D 236 ? 0.1780 0.1825 0.2022 -0.0043 0.0024 -0.0025 235 TRP D N 11330 C CA . TRP D 236 ? 0.1766 0.1824 0.2006 -0.0042 -0.0003 -0.0016 235 TRP D CA 11331 C C . TRP D 236 ? 0.1846 0.1916 0.2096 -0.0031 -0.0013 -0.0003 235 TRP D C 11332 O O . TRP D 236 ? 0.1932 0.2014 0.2174 -0.0027 -0.0032 0.0012 235 TRP D O 11333 C CB . TRP D 236 ? 0.1748 0.1838 0.2023 -0.0039 -0.0010 -0.0020 235 TRP D CB 11334 C CG . TRP D 236 ? 0.1714 0.1831 0.1996 -0.0043 -0.0035 -0.0008 235 TRP D CG 11335 C CD1 . TRP D 236 ? 0.1799 0.1913 0.2051 -0.0058 -0.0057 0.0005 235 TRP D CD1 11336 C CD2 . TRP D 236 ? 0.1757 0.1917 0.2081 -0.0036 -0.0042 -0.0004 235 TRP D CD2 11337 N NE1 . TRP D 236 ? 0.1734 0.1900 0.2018 -0.0061 -0.0077 0.0021 235 TRP D NE1 11338 C CE2 . TRP D 236 ? 0.1737 0.1929 0.2064 -0.0045 -0.0065 0.0014 235 TRP D CE2 11339 C CE3 . TRP D 236 ? 0.1783 0.1959 0.2140 -0.0024 -0.0032 -0.0013 235 TRP D CE3 11340 C CZ2 . TRP D 236 ? 0.1777 0.2019 0.2142 -0.0040 -0.0071 0.0025 235 TRP D CZ2 11341 C CZ3 . TRP D 236 ? 0.1756 0.1967 0.2138 -0.0018 -0.0040 -0.0005 235 TRP D CZ3 11342 C CH2 . TRP D 236 ? 0.1818 0.2064 0.2206 -0.0025 -0.0056 0.0013 235 TRP D CH2 11343 N N . LEU D 237 ? 0.1937 0.2001 0.2201 -0.0025 0.0000 -0.0008 236 LEU D N 11344 C CA . LEU D 237 ? 0.2075 0.2129 0.2333 -0.0008 -0.0004 0.0001 236 LEU D CA 11345 C C . LEU D 237 ? 0.1971 0.1973 0.2182 -0.0010 0.0002 0.0007 236 LEU D C 11346 O O . LEU D 237 ? 0.2025 0.1997 0.2217 0.0005 0.0004 0.0014 236 LEU D O 11347 C CB . LEU D 237 ? 0.2327 0.2384 0.2605 -0.0004 0.0001 -0.0007 236 LEU D CB 11348 C CG . LEU D 237 ? 0.2641 0.2744 0.2956 0.0003 -0.0006 -0.0008 236 LEU D CG 11349 C CD1 . LEU D 237 ? 0.3071 0.3162 0.3389 0.0006 0.0000 -0.0016 236 LEU D CD1 11350 C CD2 . LEU D 237 ? 0.3016 0.3151 0.3341 0.0021 -0.0018 0.0009 236 LEU D CD2 11351 N N . LEU D 238 ? 0.1879 0.1860 0.2062 -0.0026 0.0008 0.0006 237 LEU D N 11352 C CA . LEU D 238 ? 0.1933 0.1863 0.2063 -0.0028 0.0012 0.0016 237 LEU D CA 11353 C C . LEU D 238 ? 0.1896 0.1830 0.2014 -0.0004 -0.0010 0.0038 237 LEU D C 11354 O O . LEU D 238 ? 0.1684 0.1667 0.1829 0.0001 -0.0029 0.0046 237 LEU D O 11355 C CB . LEU D 238 ? 0.1985 0.1889 0.2078 -0.0048 0.0023 0.0014 237 LEU D CB 11356 C CG . LEU D 238 ? 0.2029 0.1934 0.2134 -0.0066 0.0052 0.0002 237 LEU D CG 11357 C CD1 . LEU D 238 ? 0.2186 0.2073 0.2255 -0.0075 0.0068 0.0000 237 LEU D CD1 11358 C CD2 . LEU D 238 ? 0.2112 0.1980 0.2193 -0.0080 0.0065 0.0007 237 LEU D CD2 11359 N N . PRO D 239 ? 0.1941 0.1826 0.2018 0.0010 -0.0008 0.0050 238 PRO D N 11360 C CA . PRO D 239 ? 0.1945 0.1840 0.2015 0.0041 -0.0027 0.0077 238 PRO D CA 11361 C C . PRO D 239 ? 0.2109 0.2046 0.2182 0.0032 -0.0055 0.0094 238 PRO D C 11362 O O . PRO D 239 ? 0.1964 0.1874 0.1998 0.0002 -0.0056 0.0087 238 PRO D O 11363 C CB . PRO D 239 ? 0.2068 0.1880 0.2071 0.0049 -0.0017 0.0085 238 PRO D CB 11364 C CG . PRO D 239 ? 0.2066 0.1835 0.2058 0.0029 0.0006 0.0063 238 PRO D CG 11365 C CD . PRO D 239 ? 0.1985 0.1805 0.2022 -0.0001 0.0011 0.0043 238 PRO D CD 11366 N N . TYR D 240 ? 0.2105 0.2107 0.2219 0.0056 -0.0076 0.0119 239 TYR D N 11367 C CA . TYR D 240 ? 0.2179 0.2233 0.2299 0.0042 -0.0112 0.0143 239 TYR D CA 11368 C C . TYR D 240 ? 0.2375 0.2439 0.2481 0.0070 -0.0133 0.0182 239 TYR D C 11369 O O . TYR D 240 ? 0.2280 0.2340 0.2397 0.0118 -0.0119 0.0197 239 TYR D O 11370 C CB . TYR D 240 ? 0.2143 0.2287 0.2333 0.0040 -0.0125 0.0151 239 TYR D CB 11371 C CG . TYR D 240 ? 0.2033 0.2170 0.2229 0.0007 -0.0115 0.0119 239 TYR D CG 11372 C CD1 . TYR D 240 ? 0.2052 0.2172 0.2268 0.0017 -0.0085 0.0093 239 TYR D CD1 11373 C CD2 . TYR D 240 ? 0.2028 0.2169 0.2203 -0.0033 -0.0138 0.0117 239 TYR D CD2 11374 C CE1 . TYR D 240 ? 0.1966 0.2084 0.2191 -0.0006 -0.0077 0.0068 239 TYR D CE1 11375 C CE2 . TYR D 240 ? 0.2129 0.2251 0.2300 -0.0055 -0.0126 0.0090 239 TYR D CE2 11376 C CZ . TYR D 240 ? 0.2105 0.2222 0.2307 -0.0038 -0.0095 0.0066 239 TYR D CZ 11377 O OH . TYR D 240 ? 0.2098 0.2201 0.2300 -0.0055 -0.0084 0.0044 239 TYR D OH 11378 N N . ASN D 241 ? 0.2365 0.2441 0.2444 0.0044 -0.0168 0.0202 240 ASN D N 11379 C CA . ASN D 241 ? 0.2709 0.2805 0.2776 0.0068 -0.0196 0.0246 240 ASN D CA 11380 C C . ASN D 241 ? 0.2879 0.3092 0.3029 0.0105 -0.0216 0.0290 240 ASN D C 11381 O O . ASN D 241 ? 0.3302 0.3543 0.3453 0.0136 -0.0237 0.0332 240 ASN D O 11382 C CB . ASN D 241 ? 0.2903 0.2970 0.2902 0.0024 -0.0232 0.0258 240 ASN D CB 11383 C CG . ASN D 241 ? 0.3111 0.3222 0.3118 -0.0027 -0.0263 0.0255 240 ASN D CG 11384 O OD1 . ASN D 241 ? 0.2871 0.3065 0.2951 -0.0028 -0.0268 0.0260 240 ASN D OD1 11385 N ND2 . ASN D 241 ? 0.3514 0.3557 0.3432 -0.0074 -0.0281 0.0248 240 ASN D ND2 11386 N N . TYR D 242 ? 0.2731 0.3019 0.2952 0.0103 -0.0210 0.0285 241 TYR D N 11387 C CA . TYR D 242 ? 0.2919 0.3328 0.3225 0.0144 -0.0221 0.0332 241 TYR D CA 11388 C C . TYR D 242 ? 0.3026 0.3416 0.3349 0.0219 -0.0176 0.0335 241 TYR D C 11389 O O . TYR D 242 ? 0.3013 0.3490 0.3397 0.0271 -0.0174 0.0377 241 TYR D O 11390 C CB . TYR D 242 ? 0.2923 0.3429 0.3297 0.0109 -0.0236 0.0335 241 TYR D CB 11391 C CG . TYR D 242 ? 0.2805 0.3270 0.3178 0.0091 -0.0204 0.0287 241 TYR D CG 11392 C CD1 . TYR D 242 ? 0.3044 0.3515 0.3453 0.0138 -0.0164 0.0277 241 TYR D CD1 11393 C CD2 . TYR D 242 ? 0.2860 0.3276 0.3191 0.0031 -0.0213 0.0253 241 TYR D CD2 11394 C CE1 . TYR D 242 ? 0.3109 0.3548 0.3518 0.0120 -0.0140 0.0237 241 TYR D CE1 11395 C CE2 . TYR D 242 ? 0.3091 0.3475 0.3426 0.0021 -0.0186 0.0213 241 TYR D CE2 11396 C CZ . TYR D 242 ? 0.3024 0.3426 0.3401 0.0063 -0.0152 0.0207 241 TYR D CZ 11397 O OH . TYR D 242 ? 0.3499 0.3874 0.3880 0.0053 -0.0130 0.0173 241 TYR D OH 11398 N N . THR D 243 ? 0.2951 0.3222 0.3212 0.0223 -0.0140 0.0292 242 THR D N 11399 C CA . THR D 243 ? 0.3189 0.3397 0.3426 0.0283 -0.0099 0.0288 242 THR D CA 11400 C C . THR D 243 ? 0.3085 0.3174 0.3232 0.0299 -0.0091 0.0286 242 THR D C 11401 O O . THR D 243 ? 0.3246 0.3300 0.3369 0.0361 -0.0074 0.0311 242 THR D O 11402 C CB . THR D 243 ? 0.3210 0.3367 0.3439 0.0265 -0.0067 0.0240 242 THR D CB 11403 O OG1 . THR D 243 ? 0.3632 0.3891 0.3938 0.0264 -0.0069 0.0247 242 THR D OG1 11404 C CG2 . THR D 243 ? 0.3664 0.3721 0.3837 0.0310 -0.0029 0.0229 242 THR D CG2 11405 N N A TRP D 244 ? 0.2828 0.2849 0.2919 0.0245 -0.0100 0.0259 243 TRP D N 11406 N N B TRP D 244 ? 0.3038 0.3059 0.3130 0.0245 -0.0099 0.0259 243 TRP D N 11407 C CA A TRP D 244 ? 0.2759 0.2659 0.2759 0.0246 -0.0088 0.0252 243 TRP D CA 11408 C CA B TRP D 244 ? 0.3094 0.2996 0.3095 0.0248 -0.0089 0.0254 243 TRP D CA 11409 C C A TRP D 244 ? 0.2828 0.2729 0.2794 0.0231 -0.0123 0.0279 243 TRP D C 11410 C C B TRP D 244 ? 0.3011 0.2917 0.2979 0.0233 -0.0125 0.0282 243 TRP D C 11411 O O A TRP D 244 ? 0.2748 0.2712 0.2738 0.0189 -0.0154 0.0283 243 TRP D O 11412 O O B TRP D 244 ? 0.2921 0.2895 0.2917 0.0194 -0.0157 0.0288 243 TRP D O 11413 C CB A TRP D 244 ? 0.2602 0.2427 0.2563 0.0193 -0.0066 0.0203 243 TRP D CB 11414 C CB B TRP D 244 ? 0.3158 0.2978 0.3113 0.0198 -0.0067 0.0207 243 TRP D CB 11415 C CG A TRP D 244 ? 0.2392 0.2212 0.2379 0.0194 -0.0038 0.0174 243 TRP D CG 11416 C CG B TRP D 244 ? 0.3275 0.3022 0.3203 0.0216 -0.0032 0.0186 243 TRP D CG 11417 C CD1 A TRP D 244 ? 0.2256 0.2153 0.2311 0.0177 -0.0040 0.0159 243 TRP D CD1 11418 C CD1 B TRP D 244 ? 0.3366 0.3002 0.3214 0.0244 -0.0013 0.0191 243 TRP D CD1 11419 C CD2 A TRP D 244 ? 0.2373 0.2096 0.2306 0.0208 -0.0008 0.0158 243 TRP D CD2 11420 C CD2 B TRP D 244 ? 0.3095 0.2862 0.3060 0.0202 -0.0015 0.0157 243 TRP D CD2 11421 N NE1 A TRP D 244 ? 0.2177 0.2036 0.2227 0.0181 -0.0014 0.0135 243 TRP D NE1 11422 N NE1 B TRP D 244 ? 0.3421 0.3001 0.3249 0.0244 0.0013 0.0165 243 TRP D NE1 11423 C CE2 A TRP D 244 ? 0.2274 0.2025 0.2247 0.0198 0.0003 0.0134 243 TRP D CE2 11424 C CE2 B TRP D 244 ? 0.3223 0.2887 0.3125 0.0218 0.0011 0.0145 243 TRP D CE2 11425 C CE3 A TRP D 244 ? 0.2526 0.2128 0.2368 0.0224 0.0006 0.0161 243 TRP D CE3 11426 C CE3 B TRP D 244 ? 0.2978 0.2830 0.3014 0.0175 -0.0022 0.0142 243 TRP D CE3 11427 C CZ2 A TRP D 244 ? 0.2308 0.1975 0.2233 0.0200 0.0028 0.0114 243 TRP D CZ2 11428 C CZ2 B TRP D 244 ? 0.3130 0.2782 0.3041 0.0205 0.0027 0.0119 243 TRP D CZ2 11429 C CZ3 A TRP D 244 ? 0.2515 0.2027 0.2305 0.0224 0.0031 0.0141 243 TRP D CZ3 11430 C CZ3 B TRP D 244 ? 0.2915 0.2758 0.2964 0.0168 -0.0004 0.0117 243 TRP D CZ3 11431 C CH2 A TRP D 244 ? 0.2430 0.1977 0.2262 0.0210 0.0040 0.0117 243 TRP D CH2 11432 C CH2 B TRP D 244 ? 0.3070 0.2817 0.3059 0.0182 0.0019 0.0106 243 TRP D CH2 11433 N N . SER D 245 ? 0.2985 0.2801 0.2880 0.0260 -0.0119 0.0297 244 SER D N 11434 C CA . SER D 245 ? 0.3183 0.2975 0.3024 0.0242 -0.0150 0.0319 244 SER D CA 11435 C C . SER D 245 ? 0.3192 0.2933 0.2985 0.0169 -0.0148 0.0282 244 SER D C 11436 O O . SER D 245 ? 0.2976 0.2643 0.2735 0.0147 -0.0113 0.0245 244 SER D O 11437 C CB . SER D 245 ? 0.3418 0.3101 0.3175 0.0285 -0.0137 0.0338 244 SER D CB 11438 O OG . SER D 245 ? 0.3563 0.3206 0.3254 0.0260 -0.0164 0.0355 244 SER D OG 11439 N N . PRO D 246 ? 0.3446 0.3221 0.3227 0.0131 -0.0184 0.0294 245 PRO D N 11440 C CA . PRO D 246 ? 0.3615 0.3325 0.3331 0.0071 -0.0175 0.0261 245 PRO D CA 11441 C C . PRO D 246 ? 0.3638 0.3225 0.3258 0.0064 -0.0150 0.0252 245 PRO D C 11442 O O . PRO D 246 ? 0.3865 0.3401 0.3442 0.0022 -0.0126 0.0223 245 PRO D O 11443 C CB . PRO D 246 ? 0.3759 0.3511 0.3458 0.0039 -0.0225 0.0285 245 PRO D CB 11444 C CG . PRO D 246 ? 0.3858 0.3737 0.3654 0.0067 -0.0256 0.0318 245 PRO D CG 11445 C CD . PRO D 246 ? 0.3681 0.3557 0.3504 0.0137 -0.0236 0.0339 245 PRO D CD 11446 N N . GLU D 247 ? 0.3700 0.3240 0.3284 0.0107 -0.0151 0.0279 246 GLU D N 11447 C CA . GLU D 247 ? 0.4025 0.3439 0.3510 0.0097 -0.0126 0.0273 246 GLU D CA 11448 C C . GLU D 247 ? 0.3843 0.3191 0.3319 0.0109 -0.0084 0.0251 246 GLU D C 11449 O O . GLU D 247 ? 0.3844 0.3084 0.3236 0.0095 -0.0063 0.0247 246 GLU D O 11450 C CB . GLU D 247 ? 0.4557 0.3932 0.3981 0.0131 -0.0156 0.0319 246 GLU D CB 11451 C CG . GLU D 247 ? 0.4984 0.4398 0.4387 0.0103 -0.0203 0.0341 246 GLU D CG 11452 C CD . GLU D 247 ? 0.5465 0.5020 0.4964 0.0109 -0.0244 0.0362 246 GLU D CD 11453 O OE1 . GLU D 247 ? 0.5893 0.5525 0.5473 0.0162 -0.0249 0.0386 246 GLU D OE1 11454 O OE2 . GLU D 247 ? 0.6135 0.5720 0.5622 0.0060 -0.0272 0.0358 246 GLU D OE2 11455 N N . LYS D 248 ? 0.3566 0.2970 0.3118 0.0132 -0.0073 0.0239 247 LYS D N 11456 C CA . LYS D 248 ? 0.3592 0.2924 0.3122 0.0134 -0.0037 0.0217 247 LYS D CA 11457 C C . LYS D 248 ? 0.3269 0.2575 0.2786 0.0067 -0.0012 0.0182 247 LYS D C 11458 O O . LYS D 248 ? 0.3064 0.2447 0.2640 0.0038 -0.0012 0.0163 247 LYS D O 11459 C CB . LYS D 248 ? 0.3801 0.3196 0.3408 0.0167 -0.0030 0.0210 247 LYS D CB 11460 C CG . LYS D 248 ? 0.4125 0.3435 0.3694 0.0152 0.0002 0.0183 247 LYS D CG 11461 C CD . LYS D 248 ? 0.4505 0.3832 0.4109 0.0192 0.0013 0.0178 247 LYS D CD 11462 C CE . LYS D 248 ? 0.4699 0.3930 0.4249 0.0159 0.0039 0.0149 247 LYS D CE 11463 N NZ . LYS D 248 ? 0.5139 0.4216 0.4564 0.0170 0.0051 0.0161 247 LYS D NZ 11464 N N . VAL D 249 ? 0.3180 0.2381 0.2621 0.0046 0.0010 0.0176 248 VAL D N 11465 C CA . VAL D 249 ? 0.3197 0.2386 0.2633 -0.0016 0.0036 0.0150 248 VAL D CA 11466 C C . VAL D 249 ? 0.3013 0.2225 0.2500 -0.0027 0.0050 0.0128 248 VAL D C 11467 O O . VAL D 249 ? 0.3096 0.2234 0.2539 -0.0010 0.0055 0.0130 248 VAL D O 11468 C CB . VAL D 249 ? 0.3434 0.2503 0.2764 -0.0047 0.0053 0.0158 248 VAL D CB 11469 C CG1 . VAL D 249 ? 0.3529 0.2607 0.2870 -0.0112 0.0083 0.0139 248 VAL D CG1 11470 C CG2 . VAL D 249 ? 0.3649 0.2689 0.2919 -0.0039 0.0038 0.0181 248 VAL D CG2 11471 N N . PHE D 250 ? 0.2813 0.2117 0.2380 -0.0054 0.0057 0.0108 249 PHE D N 11472 C CA . PHE D 250 ? 0.2742 0.2078 0.2360 -0.0070 0.0066 0.0088 249 PHE D CA 11473 C C . PHE D 250 ? 0.2760 0.2071 0.2362 -0.0131 0.0088 0.0079 249 PHE D C 11474 O O . PHE D 250 ? 0.2688 0.1981 0.2292 -0.0152 0.0091 0.0070 249 PHE D O 11475 C CB . PHE D 250 ? 0.2651 0.2105 0.2369 -0.0062 0.0059 0.0075 249 PHE D CB 11476 C CG . PHE D 250 ? 0.2586 0.2080 0.2336 -0.0011 0.0037 0.0085 249 PHE D CG 11477 C CD1 . PHE D 250 ? 0.2679 0.2159 0.2436 0.0020 0.0036 0.0084 249 PHE D CD1 11478 C CD2 . PHE D 250 ? 0.2592 0.2136 0.2360 0.0003 0.0018 0.0097 249 PHE D CD2 11479 C CE1 . PHE D 250 ? 0.2665 0.2195 0.2459 0.0070 0.0021 0.0099 249 PHE D CE1 11480 C CE2 . PHE D 250 ? 0.2577 0.2175 0.2384 0.0045 -0.0003 0.0113 249 PHE D CE2 11481 C CZ . PHE D 250 ? 0.2570 0.2169 0.2398 0.0080 0.0000 0.0115 249 PHE D CZ 11482 N N . VAL D 251 ? 0.2626 0.1944 0.2214 -0.0161 0.0103 0.0083 250 VAL D N 11483 C CA . VAL D 251 ? 0.2681 0.2000 0.2268 -0.0220 0.0128 0.0082 250 VAL D CA 11484 C C . VAL D 251 ? 0.2873 0.2111 0.2370 -0.0241 0.0142 0.0098 250 VAL D C 11485 O O . VAL D 251 ? 0.2783 0.2027 0.2262 -0.0225 0.0144 0.0103 250 VAL D O 11486 C CB . VAL D 251 ? 0.2572 0.2010 0.2253 -0.0235 0.0144 0.0072 250 VAL D CB 11487 C CG1 . VAL D 251 ? 0.2712 0.2170 0.2402 -0.0292 0.0174 0.0080 250 VAL D CG1 11488 C CG2 . VAL D 251 ? 0.2507 0.2019 0.2272 -0.0220 0.0130 0.0058 250 VAL D CG2 11489 N N . GLN D 252 ? 0.3047 0.2204 0.2480 -0.0283 0.0151 0.0106 251 GLN D N 11490 C CA . GLN D 252 ? 0.3312 0.2393 0.2660 -0.0316 0.0169 0.0122 251 GLN D CA 11491 C C . GLN D 252 ? 0.3332 0.2460 0.2712 -0.0386 0.0197 0.0126 251 GLN D C 11492 O O . GLN D 252 ? 0.3223 0.2375 0.2638 -0.0419 0.0192 0.0122 251 GLN D O 11493 C CB . GLN D 252 ? 0.3806 0.2733 0.3032 -0.0315 0.0157 0.0134 251 GLN D CB 11494 C CG . GLN D 252 ? 0.4240 0.3107 0.3419 -0.0243 0.0133 0.0140 251 GLN D CG 11495 C CD . GLN D 252 ? 0.4752 0.3454 0.3800 -0.0237 0.0129 0.0155 251 GLN D CD 11496 O OE1 . GLN D 252 ? 0.5545 0.4191 0.4567 -0.0202 0.0118 0.0152 251 GLN D OE1 11497 N NE2 . GLN D 252 ? 0.4610 0.3223 0.3565 -0.0272 0.0141 0.0170 251 GLN D NE2 11498 N N . THR D 253 ? 0.3545 0.2681 0.2904 -0.0409 0.0226 0.0138 252 THR D N 11499 C CA . THR D 253 ? 0.3874 0.3060 0.3261 -0.0475 0.0259 0.0151 252 THR D CA 11500 C C . THR D 253 ? 0.4315 0.3394 0.3586 -0.0506 0.0278 0.0170 252 THR D C 11501 O O . THR D 253 ? 0.4462 0.3440 0.3642 -0.0469 0.0263 0.0172 252 THR D O 11502 C CB . THR D 253 ? 0.3873 0.3200 0.3364 -0.0467 0.0291 0.0148 252 THR D CB 11503 O OG1 . THR D 253 ? 0.4221 0.3519 0.3656 -0.0451 0.0318 0.0154 252 THR D OG1 11504 C CG2 . THR D 253 ? 0.3753 0.3158 0.3329 -0.0415 0.0270 0.0128 252 THR D CG2 11505 N N . PRO D 254 ? 0.4865 0.3971 0.4140 -0.0573 0.0310 0.0189 253 PRO D N 11506 C CA . PRO D 254 ? 0.5435 0.4433 0.4592 -0.0606 0.0331 0.0209 253 PRO D CA 11507 C C . PRO D 254 ? 0.5408 0.4390 0.4522 -0.0565 0.0351 0.0209 253 PRO D C 11508 O O . PRO D 254 ? 0.5942 0.4804 0.4936 -0.0570 0.0352 0.0222 253 PRO D O 11509 C CB . PRO D 254 ? 0.5481 0.4553 0.4682 -0.0688 0.0366 0.0232 253 PRO D CB 11510 C CG . PRO D 254 ? 0.5414 0.4593 0.4729 -0.0706 0.0347 0.0225 253 PRO D CG 11511 C CD . PRO D 254 ? 0.4986 0.4223 0.4370 -0.0625 0.0329 0.0198 253 PRO D CD 11512 N N . THR D 255 ? 0.5182 0.4271 0.4380 -0.0525 0.0365 0.0196 254 THR D N 11513 C CA . THR D 255 ? 0.5357 0.4424 0.4501 -0.0494 0.0386 0.0196 254 THR D CA 11514 C C . THR D 255 ? 0.5125 0.4188 0.4270 -0.0428 0.0352 0.0177 254 THR D C 11515 O O . THR D 255 ? 0.5533 0.4559 0.4614 -0.0408 0.0361 0.0177 254 THR D O 11516 C CB . THR D 255 ? 0.5642 0.4818 0.4854 -0.0508 0.0445 0.0202 254 THR D CB 11517 O OG1 . THR D 255 ? 0.5991 0.5297 0.5337 -0.0489 0.0443 0.0189 254 THR D OG1 11518 C CG2 . THR D 255 ? 0.5988 0.5172 0.5188 -0.0578 0.0486 0.0230 254 THR D CG2 11519 N N . ILE D 256 ? 0.4441 0.3544 0.3654 -0.0398 0.0314 0.0162 255 ILE D N 11520 C CA . ILE D 256 ? 0.4123 0.3244 0.3352 -0.0343 0.0283 0.0147 255 ILE D CA 11521 C C . ILE D 256 ? 0.3618 0.2753 0.2897 -0.0315 0.0239 0.0138 255 ILE D C 11522 O O . ILE D 256 ? 0.3790 0.2954 0.3121 -0.0336 0.0239 0.0136 255 ILE D O 11523 C CB . ILE D 256 ? 0.4347 0.3566 0.3647 -0.0331 0.0314 0.0134 255 ILE D CB 11524 C CG1 . ILE D 256 ? 0.4413 0.3630 0.3703 -0.0287 0.0283 0.0121 255 ILE D CG1 11525 C CG2 . ILE D 256 ? 0.4517 0.3850 0.3944 -0.0341 0.0325 0.0127 255 ILE D CG2 11526 C CD1 . ILE D 256 ? 0.4384 0.3658 0.3704 -0.0275 0.0317 0.0109 255 ILE D CD1 11527 N N A ASN D 257 ? 0.3342 0.2456 0.2603 -0.0270 0.0200 0.0137 256 ASN D N 11528 N N B ASN D 257 ? 0.3327 0.2438 0.2583 -0.0270 0.0201 0.0138 256 ASN D N 11529 C CA A ASN D 257 ? 0.3188 0.2342 0.2517 -0.0239 0.0169 0.0128 256 ASN D CA 11530 C CA B ASN D 257 ? 0.3182 0.2318 0.2488 -0.0231 0.0162 0.0132 256 ASN D CA 11531 C C A ASN D 257 ? 0.3028 0.2257 0.2413 -0.0206 0.0150 0.0117 256 ASN D C 11532 C C B ASN D 257 ? 0.3012 0.2243 0.2398 -0.0205 0.0150 0.0117 256 ASN D C 11533 O O A ASN D 257 ? 0.3000 0.2224 0.2350 -0.0205 0.0155 0.0118 256 ASN D O 11534 O O B ASN D 257 ? 0.3000 0.2238 0.2361 -0.0204 0.0156 0.0115 256 ASN D O 11535 C CB A ASN D 257 ? 0.3255 0.2317 0.2519 -0.0215 0.0140 0.0142 256 ASN D CB 11536 C CB B ASN D 257 ? 0.3191 0.2241 0.2417 -0.0197 0.0127 0.0151 256 ASN D CB 11537 C CG A ASN D 257 ? 0.3313 0.2329 0.2513 -0.0178 0.0111 0.0160 256 ASN D CG 11538 C CG B ASN D 257 ? 0.3300 0.2240 0.2445 -0.0211 0.0132 0.0165 256 ASN D CG 11539 O OD1 A ASN D 257 ? 0.3177 0.2254 0.2413 -0.0155 0.0092 0.0158 256 ASN D OD1 11540 O OD1 B ASN D 257 ? 0.3296 0.2228 0.2456 -0.0244 0.0150 0.0158 256 ASN D OD1 11541 N ND2 A ASN D 257 ? 0.3509 0.2413 0.2608 -0.0175 0.0106 0.0181 256 ASN D ND2 11542 N ND2 B ASN D 257 ? 0.3380 0.2228 0.2432 -0.0188 0.0114 0.0187 256 ASN D ND2 11543 N N . TYR D 258 ? 0.2794 0.2084 0.2259 -0.0184 0.0132 0.0107 257 TYR D N 11544 C CA . TYR D 258 ? 0.2677 0.2046 0.2208 -0.0159 0.0115 0.0095 257 TYR D CA 11545 C C . TYR D 258 ? 0.2666 0.2048 0.2222 -0.0118 0.0076 0.0101 257 TYR D C 11546 O O . TYR D 258 ? 0.2667 0.2045 0.2249 -0.0109 0.0074 0.0099 257 TYR D O 11547 C CB . TYR D 258 ? 0.2564 0.2017 0.2185 -0.0172 0.0138 0.0077 257 TYR D CB 11548 C CG . TYR D 258 ? 0.2580 0.2044 0.2196 -0.0205 0.0183 0.0076 257 TYR D CG 11549 C CD1 . TYR D 258 ? 0.2613 0.2086 0.2209 -0.0201 0.0203 0.0071 257 TYR D CD1 11550 C CD2 . TYR D 258 ? 0.2731 0.2196 0.2359 -0.0240 0.0206 0.0082 257 TYR D CD2 11551 C CE1 . TYR D 258 ? 0.2700 0.2188 0.2294 -0.0222 0.0253 0.0073 257 TYR D CE1 11552 C CE2 . TYR D 258 ? 0.2760 0.2255 0.2397 -0.0269 0.0250 0.0087 257 TYR D CE2 11553 C CZ . TYR D 258 ? 0.2741 0.2252 0.2365 -0.0254 0.0277 0.0083 257 TYR D CZ 11554 O OH . TYR D 258 ? 0.2834 0.2380 0.2471 -0.0275 0.0329 0.0092 257 TYR D OH 11555 N N . THR D 259 ? 0.2560 0.1959 0.2107 -0.0097 0.0047 0.0111 258 THR D N 11556 C CA . THR D 259 ? 0.2436 0.1882 0.2028 -0.0059 0.0011 0.0122 258 THR D CA 11557 C C . THR D 259 ? 0.2378 0.1910 0.2040 -0.0062 0.0004 0.0107 258 THR D C 11558 O O . THR D 259 ? 0.2193 0.1736 0.1860 -0.0087 0.0026 0.0089 258 THR D O 11559 C CB . THR D 259 ? 0.2520 0.1938 0.2054 -0.0040 -0.0023 0.0152 258 THR D CB 11560 O OG1 . THR D 259 ? 0.2542 0.1972 0.2049 -0.0064 -0.0036 0.0150 258 THR D OG1 11561 C CG2 . THR D 259 ? 0.2681 0.1998 0.2123 -0.0041 -0.0014 0.0168 258 THR D CG2 11562 N N . LEU D 260 ? 0.2339 0.1930 0.2052 -0.0034 -0.0026 0.0118 259 LEU D N 11563 C CA . LEU D 260 ? 0.2308 0.1971 0.2078 -0.0042 -0.0037 0.0106 259 LEU D CA 11564 C C . LEU D 260 ? 0.2357 0.2006 0.2075 -0.0068 -0.0053 0.0108 259 LEU D C 11565 O O . LEU D 260 ? 0.2409 0.2093 0.2150 -0.0081 -0.0058 0.0096 259 LEU D O 11566 C CB . LEU D 260 ? 0.2341 0.2077 0.2180 -0.0011 -0.0063 0.0121 259 LEU D CB 11567 C CG . LEU D 260 ? 0.2454 0.2214 0.2285 0.0012 -0.0101 0.0158 259 LEU D CG 11568 C CD1 . LEU D 260 ? 0.2495 0.2293 0.2318 -0.0014 -0.0137 0.0169 259 LEU D CD1 11569 C CD2 . LEU D 260 ? 0.2503 0.2324 0.2404 0.0056 -0.0105 0.0173 259 LEU D CD2 11570 N N . ARG D 261 ? 0.2359 0.1947 0.1996 -0.0076 -0.0062 0.0124 260 ARG D N 11571 C CA . ARG D 261 ? 0.2444 0.1991 0.2002 -0.0107 -0.0073 0.0123 260 ARG D CA 11572 C C . ARG D 261 ? 0.2496 0.1982 0.2001 -0.0128 -0.0023 0.0099 260 ARG D C 11573 O O . ARG D 261 ? 0.2490 0.1919 0.1909 -0.0151 -0.0022 0.0095 260 ARG D O 11574 C CB . ARG D 261 ? 0.2495 0.2002 0.1980 -0.0108 -0.0110 0.0155 260 ARG D CB 11575 C CG . ARG D 261 ? 0.2533 0.2119 0.2076 -0.0084 -0.0161 0.0189 260 ARG D CG 11576 C CD . ARG D 261 ? 0.2708 0.2276 0.2184 -0.0095 -0.0211 0.0224 260 ARG D CD 11577 N NE . ARG D 261 ? 0.2724 0.2217 0.2132 -0.0079 -0.0202 0.0240 260 ARG D NE 11578 C CZ . ARG D 261 ? 0.2875 0.2334 0.2208 -0.0086 -0.0242 0.0273 260 ARG D CZ 11579 N NH1 . ARG D 261 ? 0.2862 0.2359 0.2180 -0.0113 -0.0295 0.0294 260 ARG D NH1 11580 N NH2 . ARG D 261 ? 0.3011 0.2390 0.2275 -0.0072 -0.0230 0.0285 260 ARG D NH2 11581 N N . ASP D 262 ? 0.2391 0.1888 0.1942 -0.0122 0.0016 0.0085 261 ASP D N 11582 C CA . ASP D 262 ? 0.2452 0.1909 0.1968 -0.0140 0.0067 0.0071 261 ASP D CA 11583 C C . ASP D 262 ? 0.2359 0.1872 0.1949 -0.0138 0.0101 0.0050 261 ASP D C 11584 O O . ASP D 262 ? 0.2425 0.1939 0.2023 -0.0147 0.0147 0.0045 261 ASP D O 11585 C CB . ASP D 262 ? 0.2529 0.1946 0.2021 -0.0145 0.0086 0.0082 261 ASP D CB 11586 C CG . ASP D 262 ? 0.2654 0.2003 0.2060 -0.0144 0.0058 0.0105 261 ASP D CG 11587 O OD1 . ASP D 262 ? 0.2835 0.2138 0.2160 -0.0156 0.0046 0.0111 261 ASP D OD1 11588 O OD2 . ASP D 262 ? 0.2779 0.2111 0.2189 -0.0131 0.0047 0.0119 261 ASP D OD2 11589 N N . TYR D 263 ? 0.2305 0.1874 0.1955 -0.0127 0.0081 0.0042 262 TYR D N 11590 C CA . TYR D 263 ? 0.2285 0.1908 0.2008 -0.0120 0.0109 0.0025 262 TYR D CA 11591 C C . TYR D 263 ? 0.2413 0.2009 0.2097 -0.0123 0.0155 0.0014 262 TYR D C 11592 O O . TYR D 263 ? 0.2383 0.2023 0.2124 -0.0118 0.0192 0.0010 262 TYR D O 11593 C CB . TYR D 263 ? 0.2262 0.1942 0.2048 -0.0108 0.0078 0.0020 262 TYR D CB 11594 C CG . TYR D 263 ? 0.2172 0.1894 0.2016 -0.0095 0.0048 0.0029 262 TYR D CG 11595 C CD1 . TYR D 263 ? 0.2285 0.2004 0.2148 -0.0093 0.0060 0.0033 262 TYR D CD1 11596 C CD2 . TYR D 263 ? 0.2176 0.1934 0.2047 -0.0086 0.0011 0.0036 262 TYR D CD2 11597 C CE1 . TYR D 263 ? 0.2200 0.1936 0.2096 -0.0076 0.0039 0.0042 262 TYR D CE1 11598 C CE2 . TYR D 263 ? 0.2062 0.1857 0.1981 -0.0066 -0.0007 0.0048 262 TYR D CE2 11599 C CZ . TYR D 263 ? 0.2128 0.1904 0.2053 -0.0057 0.0008 0.0049 262 TYR D CZ 11600 O OH . TYR D 263 ? 0.2048 0.1842 0.2004 -0.0031 -0.0005 0.0059 262 TYR D OH 11601 N N . ARG D 264 ? 0.2487 0.2010 0.2071 -0.0130 0.0152 0.0013 263 ARG D N 11602 C CA . ARG D 264 ? 0.2708 0.2188 0.2238 -0.0125 0.0203 0.0003 263 ARG D CA 11603 C C . ARG D 264 ? 0.2704 0.2188 0.2237 -0.0129 0.0256 0.0011 263 ARG D C 11604 O O . ARG D 264 ? 0.2670 0.2197 0.2250 -0.0115 0.0304 0.0008 263 ARG D O 11605 C CB . ARG D 264 ? 0.2999 0.2377 0.2395 -0.0137 0.0191 0.0000 263 ARG D CB 11606 C CG . ARG D 264 ? 0.3329 0.2647 0.2657 -0.0123 0.0246 -0.0014 263 ARG D CG 11607 C CD . ARG D 264 ? 0.3646 0.2838 0.2816 -0.0143 0.0228 -0.0019 263 ARG D CD 11608 N NE . ARG D 264 ? 0.3988 0.3097 0.3070 -0.0125 0.0274 -0.0035 263 ARG D NE 11609 C CZ . ARG D 264 ? 0.4352 0.3392 0.3353 -0.0108 0.0341 -0.0038 263 ARG D CZ 11610 N NH1 . ARG D 264 ? 0.4451 0.3502 0.3451 -0.0112 0.0371 -0.0026 263 ARG D NH1 11611 N NH2 . ARG D 264 ? 0.4466 0.3420 0.3378 -0.0085 0.0383 -0.0053 263 ARG D NH2 11612 N N . LYS D 265 ? 0.2620 0.2068 0.2109 -0.0147 0.0244 0.0024 264 LYS D N 11613 C CA . LYS D 265 ? 0.2792 0.2241 0.2280 -0.0160 0.0288 0.0035 264 LYS D CA 11614 C C . LYS D 265 ? 0.2605 0.2152 0.2217 -0.0162 0.0300 0.0039 264 LYS D C 11615 O O . LYS D 265 ? 0.2553 0.2140 0.2199 -0.0168 0.0348 0.0046 264 LYS D O 11616 C CB . LYS D 265 ? 0.2986 0.2374 0.2408 -0.0180 0.0263 0.0050 264 LYS D CB 11617 C CG . LYS D 265 ? 0.3230 0.2519 0.2522 -0.0187 0.0244 0.0054 264 LYS D CG 11618 C CD . LYS D 265 ? 0.3290 0.2516 0.2511 -0.0205 0.0238 0.0073 264 LYS D CD 11619 C CE . LYS D 265 ? 0.3250 0.2494 0.2514 -0.0201 0.0191 0.0086 264 LYS D CE 11620 N NZ . LYS D 265 ? 0.3280 0.2436 0.2440 -0.0214 0.0178 0.0106 264 LYS D NZ 11621 N N . PHE D 266 ? 0.2543 0.2127 0.2216 -0.0160 0.0255 0.0037 265 PHE D N 11622 C CA . PHE D 266 ? 0.2526 0.2189 0.2301 -0.0167 0.0256 0.0039 265 PHE D CA 11623 C C . PHE D 266 ? 0.2533 0.2276 0.2385 -0.0154 0.0290 0.0035 265 PHE D C 11624 O O . PHE D 266 ? 0.2539 0.2343 0.2450 -0.0169 0.0320 0.0046 265 PHE D O 11625 C CB . PHE D 266 ? 0.2595 0.2269 0.2403 -0.0157 0.0204 0.0034 265 PHE D CB 11626 C CG . PHE D 266 ? 0.2623 0.2361 0.2518 -0.0166 0.0200 0.0034 265 PHE D CG 11627 C CD1 . PHE D 266 ? 0.2627 0.2348 0.2516 -0.0194 0.0203 0.0044 265 PHE D CD1 11628 C CD2 . PHE D 266 ? 0.2591 0.2395 0.2561 -0.0149 0.0190 0.0024 265 PHE D CD2 11629 C CE1 . PHE D 266 ? 0.2660 0.2425 0.2611 -0.0209 0.0193 0.0044 265 PHE D CE1 11630 C CE2 . PHE D 266 ? 0.2634 0.2488 0.2671 -0.0160 0.0181 0.0024 265 PHE D CE2 11631 C CZ . PHE D 266 ? 0.2626 0.2460 0.2651 -0.0192 0.0182 0.0034 265 PHE D CZ 11632 N N . PHE D 267 ? 0.2434 0.2176 0.2283 -0.0127 0.0284 0.0022 266 PHE D N 11633 C CA . PHE D 267 ? 0.2554 0.2361 0.2469 -0.0105 0.0315 0.0019 266 PHE D CA 11634 C C . PHE D 267 ? 0.2796 0.2605 0.2690 -0.0097 0.0380 0.0029 266 PHE D C 11635 O O . PHE D 267 ? 0.2907 0.2806 0.2887 -0.0088 0.0414 0.0042 266 PHE D O 11636 C CB . PHE D 267 ? 0.2510 0.2297 0.2412 -0.0081 0.0293 0.0003 266 PHE D CB 11637 C CG . PHE D 267 ? 0.2532 0.2363 0.2499 -0.0083 0.0243 -0.0001 266 PHE D CG 11638 C CD1 . PHE D 267 ? 0.2480 0.2396 0.2547 -0.0082 0.0243 0.0002 266 PHE D CD1 11639 C CD2 . PHE D 267 ? 0.2568 0.2358 0.2494 -0.0085 0.0198 -0.0007 266 PHE D CD2 11640 C CE1 . PHE D 267 ? 0.2454 0.2399 0.2566 -0.0082 0.0202 -0.0003 266 PHE D CE1 11641 C CE2 . PHE D 267 ? 0.2415 0.2247 0.2400 -0.0082 0.0160 -0.0010 266 PHE D CE2 11642 C CZ . PHE D 267 ? 0.2416 0.2318 0.2487 -0.0080 0.0164 -0.0010 266 PHE D CZ 11643 N N . GLN D 268 ? 0.2951 0.2666 0.2731 -0.0100 0.0398 0.0028 267 GLN D N 11644 C CA . GLN D 268 ? 0.3189 0.2899 0.2938 -0.0093 0.0467 0.0040 267 GLN D CA 11645 C C . GLN D 268 ? 0.3052 0.2842 0.2875 -0.0124 0.0487 0.0064 267 GLN D C 11646 O O . GLN D 268 ? 0.3066 0.2939 0.2956 -0.0114 0.0539 0.0082 267 GLN D O 11647 C CB . GLN D 268 ? 0.3464 0.3047 0.3063 -0.0099 0.0478 0.0036 267 GLN D CB 11648 C CG . GLN D 268 ? 0.3820 0.3308 0.3320 -0.0078 0.0467 0.0016 267 GLN D CG 11649 C CD . GLN D 268 ? 0.4357 0.3713 0.3697 -0.0093 0.0470 0.0014 267 GLN D CD 11650 O OE1 . GLN D 268 ? 0.4273 0.3599 0.3577 -0.0124 0.0436 0.0021 267 GLN D OE1 11651 N NE2 . GLN D 268 ? 0.4732 0.4001 0.3966 -0.0071 0.0512 0.0004 267 GLN D NE2 11652 N N . ASP D 269 ? 0.2904 0.2667 0.2712 -0.0161 0.0446 0.0066 268 ASP D N 11653 C CA . ASP D 269 ? 0.3024 0.2828 0.2865 -0.0201 0.0463 0.0089 268 ASP D CA 11654 C C . ASP D 269 ? 0.3153 0.3080 0.3127 -0.0219 0.0454 0.0101 268 ASP D C 11655 O O . ASP D 269 ? 0.3196 0.3184 0.3214 -0.0254 0.0480 0.0125 268 ASP D O 11656 C CB . ASP D 269 ? 0.2986 0.2700 0.2748 -0.0233 0.0424 0.0089 268 ASP D CB 11657 C CG . ASP D 269 ? 0.3088 0.2687 0.2716 -0.0227 0.0435 0.0086 268 ASP D CG 11658 O OD1 . ASP D 269 ? 0.2893 0.2475 0.2479 -0.0207 0.0481 0.0084 268 ASP D OD1 11659 O OD2 . ASP D 269 ? 0.2970 0.2489 0.2526 -0.0242 0.0398 0.0087 268 ASP D OD2 11660 N N . ILE D 270 ? 0.3134 0.3097 0.3166 -0.0200 0.0416 0.0087 269 ILE D N 11661 C CA . ILE D 270 ? 0.3316 0.3393 0.3467 -0.0215 0.0405 0.0099 269 ILE D CA 11662 C C . ILE D 270 ? 0.3485 0.3664 0.3719 -0.0179 0.0447 0.0111 269 ILE D C 11663 O O . ILE D 270 ? 0.3817 0.4105 0.4157 -0.0189 0.0439 0.0127 269 ILE D O 11664 C CB . ILE D 270 ? 0.3171 0.3239 0.3345 -0.0215 0.0345 0.0082 269 ILE D CB 11665 C CG1 . ILE D 270 ? 0.3036 0.3092 0.3209 -0.0167 0.0332 0.0061 269 ILE D CG1 11666 C CG2 . ILE D 270 ? 0.3344 0.3315 0.3440 -0.0242 0.0308 0.0075 269 ILE D CG2 11667 C CD1 . ILE D 270 ? 0.2920 0.2971 0.3115 -0.0165 0.0278 0.0047 269 ILE D CD1 11668 N N . GLY D 271 ? 0.3453 0.3589 0.3633 -0.0135 0.0488 0.0104 270 GLY D N 11669 C CA . GLY D 271 ? 0.3688 0.3896 0.3924 -0.0088 0.0537 0.0116 270 GLY D CA 11670 C C . GLY D 271 ? 0.3655 0.3877 0.3928 -0.0050 0.0508 0.0100 270 GLY D C 11671 O O . GLY D 271 ? 0.3616 0.3941 0.3985 -0.0024 0.0527 0.0117 270 GLY D O 11672 N N . PHE D 272 ? 0.3244 0.3371 0.3447 -0.0049 0.0461 0.0070 271 PHE D N 11673 C CA . PHE D 272 ? 0.2955 0.3088 0.3185 -0.0021 0.0431 0.0056 271 PHE D CA 11674 C C . PHE D 272 ? 0.3063 0.3072 0.3178 -0.0004 0.0416 0.0030 271 PHE D C 11675 O O . PHE D 272 ? 0.2765 0.2733 0.2855 -0.0021 0.0363 0.0014 271 PHE D O 11676 C CB . PHE D 272 ? 0.2980 0.3163 0.3279 -0.0053 0.0372 0.0054 271 PHE D CB 11677 C CG . PHE D 272 ? 0.2992 0.3191 0.3325 -0.0027 0.0343 0.0042 271 PHE D CG 11678 C CD1 . PHE D 272 ? 0.2963 0.3223 0.3352 0.0012 0.0372 0.0053 271 PHE D CD1 11679 C CD2 . PHE D 272 ? 0.2979 0.3135 0.3290 -0.0039 0.0290 0.0023 271 PHE D CD2 11680 C CE1 . PHE D 272 ? 0.3042 0.3307 0.3454 0.0035 0.0345 0.0043 271 PHE D CE1 11681 C CE2 . PHE D 272 ? 0.2935 0.3105 0.3274 -0.0019 0.0267 0.0014 271 PHE D CE2 11682 C CZ . PHE D 272 ? 0.2775 0.2993 0.3159 0.0016 0.0292 0.0023 271 PHE D CZ 11683 N N . GLU D 273 ? 0.3250 0.3197 0.3290 0.0028 0.0465 0.0027 272 GLU D N 11684 C CA . GLU D 273 ? 0.3637 0.3452 0.3547 0.0034 0.0452 0.0005 272 GLU D CA 11685 C C . GLU D 273 ? 0.3309 0.3107 0.3223 0.0046 0.0410 -0.0010 272 GLU D C 11686 O O . GLU D 273 ? 0.3122 0.2839 0.2957 0.0028 0.0370 -0.0025 272 GLU D O 11687 C CB . GLU D 273 ? 0.4441 0.4176 0.4249 0.0066 0.0518 0.0006 272 GLU D CB 11688 C CG . GLU D 273 ? 0.5341 0.5061 0.5110 0.0040 0.0547 0.0018 272 GLU D CG 11689 C CD . GLU D 273 ? 0.6344 0.5987 0.6010 0.0072 0.0623 0.0022 272 GLU D CD 11690 O OE1 . GLU D 273 ? 0.6920 0.6511 0.6536 0.0119 0.0658 0.0014 272 GLU D OE1 11691 O OE2 . GLU D 273 ? 0.6723 0.6348 0.6347 0.0051 0.0650 0.0033 272 GLU D OE2 11692 N N . ASP D 274 ? 0.3191 0.3071 0.3200 0.0073 0.0416 -0.0003 273 ASP D N 11693 C CA . ASP D 274 ? 0.3132 0.2999 0.3149 0.0081 0.0378 -0.0016 273 ASP D CA 11694 C C . ASP D 274 ? 0.2839 0.2716 0.2875 0.0041 0.0311 -0.0024 273 ASP D C 11695 O O . ASP D 274 ? 0.2633 0.2464 0.2631 0.0036 0.0276 -0.0036 273 ASP D O 11696 C CB . ASP D 274 ? 0.3331 0.3300 0.3459 0.0113 0.0389 -0.0002 273 ASP D CB 11697 C CG . ASP D 274 ? 0.3632 0.3584 0.3738 0.0171 0.0452 0.0006 273 ASP D CG 11698 O OD1 . ASP D 274 ? 0.3851 0.3690 0.3838 0.0188 0.0486 -0.0003 273 ASP D OD1 11699 O OD2 . ASP D 274 ? 0.3890 0.3945 0.4100 0.0200 0.0467 0.0026 273 ASP D OD2 11700 N N . GLY D 275 ? 0.2531 0.2463 0.2620 0.0013 0.0296 -0.0015 274 GLY D N 11701 C CA . GLY D 275 ? 0.2508 0.2441 0.2606 -0.0015 0.0242 -0.0020 274 GLY D CA 11702 C C . GLY D 275 ? 0.2564 0.2409 0.2564 -0.0030 0.0215 -0.0029 274 GLY D C 11703 O O . GLY D 275 ? 0.2525 0.2370 0.2530 -0.0040 0.0171 -0.0033 274 GLY D O 11704 N N . TRP D 276 ? 0.2489 0.2261 0.2399 -0.0032 0.0242 -0.0029 275 TRP D N 11705 C CA . TRP D 276 ? 0.2573 0.2257 0.2379 -0.0050 0.0213 -0.0034 275 TRP D CA 11706 C C . TRP D 276 ? 0.2539 0.2176 0.2298 -0.0046 0.0195 -0.0045 275 TRP D C 11707 O O . TRP D 276 ? 0.2529 0.2148 0.2261 -0.0069 0.0147 -0.0044 275 TRP D O 11708 C CB . TRP D 276 ? 0.2731 0.2336 0.2436 -0.0055 0.0248 -0.0032 275 TRP D CB 11709 C CG . TRP D 276 ? 0.2898 0.2402 0.2479 -0.0075 0.0220 -0.0036 275 TRP D CG 11710 C CD1 . TRP D 276 ? 0.3160 0.2554 0.2615 -0.0073 0.0243 -0.0045 275 TRP D CD1 11711 C CD2 . TRP D 276 ? 0.2865 0.2363 0.2427 -0.0104 0.0161 -0.0027 275 TRP D CD2 11712 N NE1 . TRP D 276 ? 0.3189 0.2509 0.2545 -0.0107 0.0195 -0.0043 275 TRP D NE1 11713 C CE2 . TRP D 276 ? 0.3151 0.2544 0.2580 -0.0124 0.0145 -0.0030 275 TRP D CE2 11714 C CE3 . TRP D 276 ? 0.2787 0.2354 0.2426 -0.0111 0.0122 -0.0015 275 TRP D CE3 11715 C CZ2 . TRP D 276 ? 0.3337 0.2712 0.2723 -0.0156 0.0085 -0.0016 275 TRP D CZ2 11716 C CZ3 . TRP D 276 ? 0.2972 0.2519 0.2569 -0.0132 0.0071 -0.0002 275 TRP D CZ3 11717 C CH2 . TRP D 276 ? 0.3126 0.2589 0.2607 -0.0155 0.0050 -0.0001 275 TRP D CH2 11718 N N . LEU D 277 ? 0.2568 0.2190 0.2321 -0.0017 0.0235 -0.0051 276 LEU D N 11719 C CA . LEU D 277 ? 0.2714 0.2277 0.2413 -0.0012 0.0222 -0.0062 276 LEU D CA 11720 C C . LEU D 277 ? 0.2502 0.2138 0.2289 -0.0023 0.0175 -0.0060 276 LEU D C 11721 O O . LEU D 277 ? 0.2612 0.2210 0.2353 -0.0046 0.0135 -0.0063 276 LEU D O 11722 C CB . LEU D 277 ? 0.2873 0.2400 0.2547 0.0031 0.0280 -0.0066 276 LEU D CB 11723 C CG . LEU D 277 ? 0.3117 0.2571 0.2702 0.0051 0.0339 -0.0065 276 LEU D CG 11724 C CD1 . LEU D 277 ? 0.3285 0.2719 0.2861 0.0108 0.0402 -0.0064 276 LEU D CD1 11725 C CD2 . LEU D 277 ? 0.3365 0.2678 0.2788 0.0019 0.0321 -0.0076 276 LEU D CD2 11726 N N . MET D 278 ? 0.2400 0.2140 0.2305 -0.0010 0.0177 -0.0054 277 MET D N 11727 C CA . MET D 278 ? 0.2426 0.2232 0.2408 -0.0019 0.0137 -0.0052 277 MET D CA 11728 C C . MET D 278 ? 0.2349 0.2162 0.2324 -0.0049 0.0091 -0.0046 277 MET D C 11729 O O . MET D 278 ? 0.2362 0.2188 0.2346 -0.0061 0.0056 -0.0045 277 MET D O 11730 C CB . MET D 278 ? 0.2551 0.2452 0.2643 -0.0006 0.0148 -0.0046 277 MET D CB 11731 C CG . MET D 278 ? 0.2777 0.2707 0.2908 0.0026 0.0185 -0.0043 277 MET D CG 11732 S SD . MET D 278 ? 0.3323 0.3371 0.3576 0.0023 0.0186 -0.0029 277 MET D SD 11733 C CE . MET D 278 ? 0.3737 0.3830 0.4038 0.0064 0.0228 -0.0018 277 MET D CE 11734 N N . ARG D 279 ? 0.2284 0.2091 0.2243 -0.0058 0.0092 -0.0040 278 ARG D N 11735 C CA . ARG D 279 ? 0.2277 0.2091 0.2227 -0.0078 0.0051 -0.0029 278 ARG D CA 11736 C C . ARG D 279 ? 0.2510 0.2266 0.2376 -0.0102 0.0021 -0.0026 278 ARG D C 11737 O O . ARG D 279 ? 0.2470 0.2262 0.2359 -0.0117 -0.0019 -0.0015 278 ARG D O 11738 C CB . ARG D 279 ? 0.2258 0.2063 0.2194 -0.0081 0.0060 -0.0021 278 ARG D CB 11739 C CG . ARG D 279 ? 0.2288 0.2102 0.2216 -0.0092 0.0020 -0.0004 278 ARG D CG 11740 C CD . ARG D 279 ? 0.2124 0.2009 0.2135 -0.0080 -0.0001 0.0002 278 ARG D CD 11741 N NE . ARG D 279 ? 0.2137 0.2036 0.2146 -0.0078 -0.0031 0.0023 278 ARG D NE 11742 C CZ . ARG D 279 ? 0.2149 0.2097 0.2215 -0.0059 -0.0042 0.0033 278 ARG D CZ 11743 N NH1 . ARG D 279 ? 0.2001 0.1984 0.2125 -0.0047 -0.0029 0.0022 278 ARG D NH1 11744 N NH2 . ARG D 279 ? 0.2236 0.2195 0.2297 -0.0048 -0.0065 0.0057 278 ARG D NH2 11745 N N . GLN D 280 ? 0.2713 0.2379 0.2480 -0.0108 0.0042 -0.0035 279 GLN D N 11746 C CA . GLN D 280 ? 0.2970 0.2562 0.2637 -0.0140 0.0010 -0.0034 279 GLN D CA 11747 C C . GLN D 280 ? 0.2955 0.2561 0.2643 -0.0148 -0.0009 -0.0037 279 GLN D C 11748 O O . GLN D 280 ? 0.2987 0.2589 0.2645 -0.0185 -0.0056 -0.0025 279 GLN D O 11749 C CB . GLN D 280 ? 0.3311 0.2779 0.2847 -0.0140 0.0044 -0.0047 279 GLN D CB 11750 C CG . GLN D 280 ? 0.3550 0.2982 0.3034 -0.0143 0.0059 -0.0042 279 GLN D CG 11751 C CD . GLN D 280 ? 0.4165 0.3461 0.3500 -0.0144 0.0095 -0.0054 279 GLN D CD 11752 O OE1 . GLN D 280 ? 0.4670 0.3930 0.3988 -0.0112 0.0145 -0.0067 279 GLN D OE1 11753 N NE2 . GLN D 280 ? 0.4435 0.3653 0.3658 -0.0179 0.0068 -0.0048 279 GLN D NE2 11754 N N . ASP D 281 ? 0.2793 0.2415 0.2527 -0.0118 0.0022 -0.0049 280 ASP D N 11755 C CA . ASP D 281 ? 0.2858 0.2486 0.2606 -0.0123 0.0007 -0.0052 280 ASP D CA 11756 C C . ASP D 281 ? 0.2864 0.2595 0.2707 -0.0138 -0.0034 -0.0036 280 ASP D C 11757 O O . ASP D 281 ? 0.2902 0.2636 0.2740 -0.0161 -0.0061 -0.0031 280 ASP D O 11758 C CB . ASP D 281 ? 0.2947 0.2595 0.2749 -0.0080 0.0047 -0.0062 280 ASP D CB 11759 C CG . ASP D 281 ? 0.3299 0.2857 0.3022 -0.0051 0.0098 -0.0073 280 ASP D CG 11760 O OD1 . ASP D 281 ? 0.3403 0.2849 0.2999 -0.0066 0.0102 -0.0079 280 ASP D OD1 11761 O OD2 . ASP D 281 ? 0.3146 0.2749 0.2935 -0.0009 0.0134 -0.0074 280 ASP D OD2 11762 N N . THR D 282 ? 0.2469 0.2280 0.2395 -0.0123 -0.0034 -0.0028 281 THR D N 11763 C CA . THR D 282 ? 0.2406 0.2310 0.2423 -0.0120 -0.0057 -0.0015 281 THR D CA 11764 C C . THR D 282 ? 0.2479 0.2433 0.2519 -0.0131 -0.0088 0.0007 281 THR D C 11765 O O . THR D 282 ? 0.2313 0.2339 0.2414 -0.0130 -0.0108 0.0022 281 THR D O 11766 C CB . THR D 282 ? 0.2242 0.2198 0.2340 -0.0087 -0.0029 -0.0023 281 THR D CB 11767 O OG1 . THR D 282 ? 0.2165 0.2116 0.2265 -0.0076 -0.0010 -0.0023 281 THR D OG1 11768 C CG2 . THR D 282 ? 0.2243 0.2173 0.2339 -0.0071 -0.0003 -0.0038 281 THR D CG2 11769 N N . GLU D 283 ? 0.2624 0.2541 0.2612 -0.0138 -0.0091 0.0013 282 GLU D N 11770 C CA . GLU D 283 ? 0.2646 0.2609 0.2656 -0.0138 -0.0118 0.0038 282 GLU D CA 11771 C C . GLU D 283 ? 0.2570 0.2584 0.2590 -0.0167 -0.0165 0.0065 282 GLU D C 11772 O O . GLU D 283 ? 0.2627 0.2715 0.2702 -0.0155 -0.0185 0.0092 282 GLU D O 11773 C CB . GLU D 283 ? 0.3094 0.2995 0.3031 -0.0144 -0.0115 0.0040 282 GLU D CB 11774 C CG . GLU D 283 ? 0.3659 0.3478 0.3487 -0.0181 -0.0131 0.0038 282 GLU D CG 11775 C CD . GLU D 283 ? 0.4437 0.4183 0.4181 -0.0186 -0.0123 0.0039 282 GLU D CD 11776 O OE1 . GLU D 283 ? 0.4957 0.4721 0.4732 -0.0161 -0.0105 0.0043 282 GLU D OE1 11777 O OE2 . GLU D 283 ? 0.4943 0.4605 0.4578 -0.0218 -0.0134 0.0036 282 GLU D OE2 11778 N N . GLY D 284 ? 0.2460 0.2434 0.2425 -0.0204 -0.0182 0.0061 283 GLY D N 11779 C CA . GLY D 284 ? 0.2615 0.2639 0.2586 -0.0245 -0.0231 0.0090 283 GLY D CA 11780 C C . GLY D 284 ? 0.2551 0.2643 0.2591 -0.0248 -0.0234 0.0095 283 GLY D C 11781 O O . GLY D 284 ? 0.2569 0.2714 0.2622 -0.0286 -0.0272 0.0123 283 GLY D O 11782 N N . LEU D 285 ? 0.2344 0.2440 0.2430 -0.0211 -0.0196 0.0072 284 LEU D N 11783 C CA . LEU D 285 ? 0.2438 0.2578 0.2571 -0.0217 -0.0197 0.0074 284 LEU D CA 11784 C C . LEU D 285 ? 0.2450 0.2713 0.2674 -0.0211 -0.0214 0.0108 284 LEU D C 11785 O O . LEU D 285 ? 0.2408 0.2718 0.2651 -0.0243 -0.0237 0.0128 284 LEU D O 11786 C CB . LEU D 285 ? 0.2397 0.2516 0.2557 -0.0177 -0.0156 0.0046 284 LEU D CB 11787 C CG . LEU D 285 ? 0.2525 0.2540 0.2611 -0.0175 -0.0131 0.0017 284 LEU D CG 11788 C CD1 . LEU D 285 ? 0.2438 0.2464 0.2574 -0.0133 -0.0095 -0.0001 284 LEU D CD1 11789 C CD2 . LEU D 285 ? 0.2797 0.2746 0.2807 -0.0214 -0.0148 0.0015 284 LEU D CD2 11790 N N . VAL D 286 ? 0.2556 0.2867 0.2834 -0.0167 -0.0201 0.0118 285 VAL D N 11791 C CA . VAL D 286 ? 0.2864 0.3289 0.3226 -0.0147 -0.0208 0.0153 285 VAL D CA 11792 C C . VAL D 286 ? 0.3342 0.3816 0.3706 -0.0161 -0.0244 0.0191 285 VAL D C 11793 O O . VAL D 286 ? 0.3245 0.3674 0.3570 -0.0149 -0.0245 0.0188 285 VAL D O 11794 C CB . VAL D 286 ? 0.3055 0.3488 0.3460 -0.0087 -0.0169 0.0142 285 VAL D CB 11795 C CG1 . VAL D 286 ? 0.3381 0.3913 0.3856 -0.0051 -0.0168 0.0180 285 VAL D CG1 11796 C CG2 . VAL D 286 ? 0.3015 0.3421 0.3426 -0.0080 -0.0143 0.0113 285 VAL D CG2 11797 N N . GLU D 287 ? 0.3683 0.4253 0.4090 -0.0192 -0.0277 0.0231 286 GLU D N 11798 C CA . GLU D 287 ? 0.3994 0.4628 0.4410 -0.0212 -0.0320 0.0275 286 GLU D CA 11799 C C . GLU D 287 ? 0.3921 0.4619 0.4401 -0.0143 -0.0302 0.0300 286 GLU D C 11800 O O . GLU D 287 ? 0.3616 0.4390 0.4173 -0.0095 -0.0274 0.0315 286 GLU D O 11801 C CB . GLU D 287 ? 0.4476 0.5212 0.4933 -0.0267 -0.0361 0.0318 286 GLU D CB 11802 C CG . GLU D 287 ? 0.5243 0.5983 0.5648 -0.0332 -0.0422 0.0349 286 GLU D CG 11803 C CD . GLU D 287 ? 0.5476 0.6298 0.5927 -0.0297 -0.0441 0.0392 286 GLU D CD 11804 O OE1 . GLU D 287 ? 0.5629 0.6569 0.6187 -0.0239 -0.0421 0.0424 286 GLU D OE1 11805 O OE2 . GLU D 287 ? 0.6093 0.6853 0.6467 -0.0325 -0.0473 0.0394 286 GLU D OE2 11806 N N . ALA D 288 ? 0.4097 0.4750 0.4529 -0.0137 -0.0316 0.0304 287 ALA D N 11807 C CA . ALA D 288 ? 0.4280 0.4946 0.4737 -0.0071 -0.0297 0.0319 287 ALA D CA 11808 C C . ALA D 288 ? 0.4356 0.5164 0.4917 -0.0023 -0.0295 0.0373 287 ALA D C 11809 O O . ALA D 288 ? 0.4607 0.5412 0.5194 0.0046 -0.0254 0.0371 287 ALA D O 11810 C CB . ALA D 288 ? 0.4427 0.5037 0.4813 -0.0088 -0.0327 0.0328 287 ALA D CB 11811 N N . THR D 289 ? 0.4135 0.5064 0.4750 -0.0061 -0.0338 0.0421 288 THR D N 11812 C CA . THR D 289 ? 0.4245 0.5330 0.4968 -0.0013 -0.0338 0.0483 288 THR D CA 11813 C C . THR D 289 ? 0.4089 0.5288 0.4899 -0.0019 -0.0325 0.0503 288 THR D C 11814 O O . THR D 289 ? 0.4104 0.5422 0.5005 0.0040 -0.0303 0.0548 288 THR D O 11815 C CB . THR D 289 ? 0.4465 0.5642 0.5208 -0.0044 -0.0401 0.0543 288 THR D CB 11816 O OG1 . THR D 289 ? 0.4443 0.5636 0.5160 -0.0142 -0.0454 0.0549 288 THR D OG1 11817 C CG2 . THR D 289 ? 0.4579 0.5648 0.5236 -0.0029 -0.0412 0.0531 288 THR D CG2 11818 N N . MET D 290 ? 0.3671 0.4831 0.4448 -0.0088 -0.0336 0.0474 289 MET D N 11819 C CA . MET D 290 ? 0.3589 0.4854 0.4437 -0.0113 -0.0333 0.0497 289 MET D CA 11820 C C . MET D 290 ? 0.3178 0.4445 0.4065 -0.0041 -0.0266 0.0478 289 MET D C 11821 O O . MET D 290 ? 0.2846 0.3983 0.3669 -0.0025 -0.0233 0.0421 289 MET D O 11822 C CB . MET D 290 ? 0.3792 0.4981 0.4569 -0.0203 -0.0360 0.0465 289 MET D CB 11823 C CG . MET D 290 ? 0.4176 0.5466 0.5011 -0.0248 -0.0368 0.0493 289 MET D CG 11824 S SD . MET D 290 ? 0.4786 0.5932 0.5504 -0.0341 -0.0390 0.0444 289 MET D SD 11825 C CE . MET D 290 ? 0.4568 0.5853 0.5364 -0.0394 -0.0401 0.0490 289 MET D CE 11826 N N . PRO D 291 ? 0.2671 0.4087 0.3661 0.0000 -0.0247 0.0531 290 PRO D N 11827 C CA . PRO D 291 ? 0.2402 0.3815 0.3418 0.0068 -0.0182 0.0518 290 PRO D CA 11828 C C . PRO D 291 ? 0.2221 0.3606 0.3221 0.0018 -0.0173 0.0488 290 PRO D C 11829 O O . PRO D 291 ? 0.2088 0.3485 0.3075 -0.0064 -0.0216 0.0491 290 PRO D O 11830 C CB . PRO D 291 ? 0.2506 0.4102 0.3638 0.0122 -0.0168 0.0593 290 PRO D CB 11831 C CG . PRO D 291 ? 0.2554 0.4280 0.3741 0.0043 -0.0234 0.0646 290 PRO D CG 11832 C CD . PRO D 291 ? 0.2746 0.4347 0.3833 -0.0021 -0.0286 0.0609 290 PRO D CD 11833 N N . PRO D 292 ? 0.2080 0.3419 0.3070 0.0067 -0.0118 0.0461 291 PRO D N 11834 C CA . PRO D 292 ? 0.2013 0.3317 0.2981 0.0022 -0.0111 0.0433 291 PRO D CA 11835 C C . PRO D 292 ? 0.1927 0.3382 0.2976 -0.0016 -0.0119 0.0485 291 PRO D C 11836 O O . PRO D 292 ? 0.1896 0.3326 0.2919 -0.0078 -0.0133 0.0470 291 PRO D O 11837 C CB . PRO D 292 ? 0.2098 0.3315 0.3030 0.0088 -0.0052 0.0396 291 PRO D CB 11838 C CG . PRO D 292 ? 0.2190 0.3452 0.3156 0.0173 -0.0020 0.0427 291 PRO D CG 11839 C CD . PRO D 292 ? 0.2134 0.3413 0.3105 0.0159 -0.0064 0.0445 291 PRO D CD 11840 N N . GLY D 293 ? 0.1824 0.3438 0.2971 0.0022 -0.0110 0.0550 292 GLY D N 11841 C CA . GLY D 293 ? 0.1749 0.3532 0.2987 -0.0017 -0.0119 0.0610 292 GLY D CA 11842 C C . GLY D 293 ? 0.1670 0.3479 0.2931 0.0016 -0.0059 0.0610 292 GLY D C 11843 O O . GLY D 293 ? 0.1703 0.3602 0.3007 -0.0040 -0.0067 0.0639 292 GLY D O 11844 N N . VAL D 294 ? 0.1560 0.3277 0.2780 0.0101 -0.0001 0.0575 293 VAL D N 11845 C CA . VAL D 294 ? 0.1567 0.3284 0.2788 0.0145 0.0061 0.0572 293 VAL D CA 11846 C C . VAL D 294 ? 0.1573 0.3277 0.2795 0.0260 0.0122 0.0580 293 VAL D C 11847 O O . VAL D 294 ? 0.1510 0.3160 0.2706 0.0299 0.0114 0.0571 293 VAL D O 11848 C CB . VAL D 294 ? 0.1555 0.3100 0.2668 0.0114 0.0067 0.0501 293 VAL D CB 11849 C CG1 . VAL D 294 ? 0.1570 0.3099 0.2662 0.0008 0.0011 0.0489 293 VAL D CG1 11850 C CG2 . VAL D 294 ? 0.1557 0.2934 0.2579 0.0153 0.0075 0.0442 293 VAL D CG2 11851 N N . GLN D 295 ? 0.1618 0.3355 0.2854 0.0313 0.0186 0.0596 294 GLN D N 11852 C CA . GLN D 295 ? 0.1874 0.3563 0.3080 0.0427 0.0253 0.0597 294 GLN D CA 11853 C C . GLN D 295 ? 0.1838 0.3306 0.2911 0.0439 0.0253 0.0522 294 GLN D C 11854 O O . GLN D 295 ? 0.1750 0.3106 0.2750 0.0391 0.0244 0.0470 294 GLN D O 11855 C CB . GLN D 295 ? 0.2152 0.3876 0.3364 0.0473 0.0324 0.0615 294 GLN D CB 11856 C CG . GLN D 295 ? 0.2550 0.4206 0.3713 0.0594 0.0399 0.0618 294 GLN D CG 11857 C CD . GLN D 295 ? 0.2918 0.4587 0.4066 0.0643 0.0475 0.0631 294 GLN D CD 11858 O OE1 . GLN D 295 ? 0.3125 0.4625 0.4150 0.0656 0.0507 0.0578 294 GLN D OE1 11859 N NE2 . GLN D 295 ? 0.3002 0.4878 0.4275 0.0662 0.0502 0.0705 294 GLN D NE2 11860 N N . LEU D 296 ? 0.1873 0.3285 0.2918 0.0500 0.0259 0.0521 295 LEU D N 11861 C CA . LEU D 296 ? 0.1908 0.3126 0.2836 0.0499 0.0249 0.0457 295 LEU D CA 11862 C C . LEU D 296 ? 0.2021 0.3130 0.2870 0.0598 0.0311 0.0450 295 LEU D C 11863 O O . LEU D 296 ? 0.2121 0.3302 0.3014 0.0675 0.0341 0.0499 295 LEU D O 11864 C CB . LEU D 296 ? 0.2003 0.3228 0.2948 0.0460 0.0188 0.0458 295 LEU D CB 11865 C CG . LEU D 296 ? 0.2150 0.3199 0.2990 0.0459 0.0176 0.0402 295 LEU D CG 11866 C CD1 . LEU D 296 ? 0.2147 0.3085 0.2919 0.0393 0.0158 0.0342 295 LEU D CD1 11867 C CD2 . LEU D 296 ? 0.2296 0.3377 0.3162 0.0436 0.0125 0.0419 295 LEU D CD2 11868 N N . HIS D 297 ? 0.2024 0.2957 0.2753 0.0595 0.0329 0.0391 296 HIS D N 11869 C CA . HIS D 297 ? 0.2192 0.2973 0.2809 0.0673 0.0380 0.0372 296 HIS D CA 11870 C C . HIS D 297 ? 0.2325 0.2954 0.2854 0.0634 0.0341 0.0321 296 HIS D C 11871 O O . HIS D 297 ? 0.2169 0.2718 0.2650 0.0569 0.0314 0.0274 296 HIS D O 11872 C CB . HIS D 297 ? 0.2285 0.2979 0.2820 0.0692 0.0431 0.0349 296 HIS D CB 11873 C CG . HIS D 297 ? 0.2342 0.3184 0.2959 0.0722 0.0473 0.0398 296 HIS D CG 11874 N ND1 . HIS D 297 ? 0.2567 0.3424 0.3173 0.0824 0.0547 0.0436 296 HIS D ND1 11875 C CD2 . HIS D 297 ? 0.2281 0.3264 0.2993 0.0665 0.0454 0.0419 296 HIS D CD2 11876 C CE1 . HIS D 297 ? 0.2532 0.3547 0.3232 0.0827 0.0574 0.0480 296 HIS D CE1 11877 N NE2 . HIS D 297 ? 0.2320 0.3409 0.3082 0.0727 0.0516 0.0469 296 HIS D NE2 11878 N N . CYS D 298 ? 0.2341 0.2940 0.2855 0.0676 0.0338 0.0335 297 CYS D N 11879 C CA A CYS D 298 ? 0.2514 0.2986 0.2955 0.0640 0.0303 0.0295 297 CYS D CA 11880 C CA B CYS D 298 ? 0.2539 0.3014 0.2982 0.0640 0.0302 0.0296 297 CYS D CA 11881 C C . CYS D 298 ? 0.2583 0.2861 0.2879 0.0688 0.0343 0.0267 297 CYS D C 11882 O O . CYS D 298 ? 0.2544 0.2786 0.2806 0.0769 0.0380 0.0294 297 CYS D O 11883 C CB A CYS D 298 ? 0.2707 0.3256 0.3211 0.0648 0.0271 0.0330 297 CYS D CB 11884 C CB B CYS D 298 ? 0.2765 0.3325 0.3276 0.0651 0.0271 0.0334 297 CYS D CB 11885 S SG A CYS D 298 ? 0.3083 0.3794 0.3708 0.0557 0.0203 0.0344 297 CYS D SG 11886 S SG B CYS D 298 ? 0.3407 0.3825 0.3833 0.0618 0.0234 0.0297 297 CYS D SG 11887 N N . LEU D 299 ? 0.2460 0.2611 0.2666 0.0639 0.0336 0.0215 298 LEU D N 11888 C CA . LEU D 299 ? 0.2585 0.2538 0.2637 0.0666 0.0366 0.0185 298 LEU D CA 11889 C C . LEU D 299 ? 0.2587 0.2436 0.2580 0.0613 0.0325 0.0152 298 LEU D C 11890 O O . LEU D 299 ? 0.2330 0.2203 0.2357 0.0534 0.0280 0.0126 298 LEU D O 11891 C CB . LEU D 299 ? 0.2629 0.2508 0.2609 0.0644 0.0385 0.0154 298 LEU D CB 11892 C CG . LEU D 299 ? 0.2868 0.2768 0.2835 0.0719 0.0451 0.0181 298 LEU D CG 11893 C CD1 . LEU D 299 ? 0.2794 0.2916 0.2925 0.0732 0.0451 0.0229 298 LEU D CD1 11894 C CD2 . LEU D 299 ? 0.2933 0.2727 0.2800 0.0691 0.0465 0.0145 298 LEU D CD2 11895 N N . TYR D 300 ? 0.2768 0.2499 0.2672 0.0658 0.0344 0.0156 299 TYR D N 11896 C CA . TYR D 300 ? 0.2882 0.2524 0.2736 0.0610 0.0308 0.0133 299 TYR D CA 11897 C C . TYR D 300 ? 0.3069 0.2492 0.2748 0.0635 0.0337 0.0113 299 TYR D C 11898 O O . TYR D 300 ? 0.3113 0.2465 0.2722 0.0720 0.0387 0.0134 299 TYR D O 11899 C CB . TYR D 300 ? 0.2901 0.2647 0.2844 0.0624 0.0284 0.0167 299 TYR D CB 11900 C CG . TYR D 300 ? 0.3183 0.2939 0.3122 0.0724 0.0323 0.0213 299 TYR D CG 11901 C CD1 . TYR D 300 ? 0.3233 0.3144 0.3276 0.0780 0.0346 0.0258 299 TYR D CD1 11902 C CD2 . TYR D 300 ? 0.3374 0.2986 0.3204 0.0765 0.0338 0.0216 299 TYR D CD2 11903 C CE1 . TYR D 300 ? 0.3425 0.3359 0.3474 0.0880 0.0383 0.0307 299 TYR D CE1 11904 C CE2 . TYR D 300 ? 0.3593 0.3209 0.3416 0.0866 0.0376 0.0261 299 TYR D CE2 11905 C CZ . TYR D 300 ? 0.3665 0.3449 0.3603 0.0927 0.0399 0.0308 299 TYR D CZ 11906 O OH . TYR D 300 ? 0.3929 0.3731 0.3870 0.1035 0.0439 0.0360 299 TYR D OH 11907 N N . GLY D 301 ? 0.3003 0.2316 0.2606 0.0560 0.0306 0.0076 300 GLY D N 11908 C CA . GLY D 301 ? 0.3221 0.2315 0.2646 0.0564 0.0324 0.0056 300 GLY D CA 11909 C C . GLY D 301 ? 0.3370 0.2395 0.2751 0.0586 0.0322 0.0070 300 GLY D C 11910 O O . GLY D 301 ? 0.3371 0.2501 0.2849 0.0558 0.0288 0.0081 300 GLY D O 11911 N N . THR D 302 ? 0.3507 0.2340 0.2727 0.0637 0.0360 0.0070 301 THR D N 11912 C CA . THR D 302 ? 0.3702 0.2423 0.2840 0.0657 0.0361 0.0081 301 THR D CA 11913 C C . THR D 302 ? 0.3869 0.2335 0.2797 0.0625 0.0370 0.0050 301 THR D C 11914 O O . THR D 302 ? 0.3844 0.2221 0.2686 0.0599 0.0380 0.0024 301 THR D O 11915 C CB . THR D 302 ? 0.3838 0.2579 0.2987 0.0778 0.0404 0.0127 301 THR D CB 11916 O OG1 . THR D 302 ? 0.3988 0.2616 0.3028 0.0856 0.0464 0.0129 301 THR D OG1 11917 C CG2 . THR D 302 ? 0.3793 0.2790 0.3147 0.0802 0.0389 0.0163 301 THR D CG2 11918 N N . GLY D 303 ? 0.4080 0.2424 0.2918 0.0622 0.0365 0.0055 302 GLY D N 11919 C CA . GLY D 303 ? 0.4255 0.2332 0.2870 0.0594 0.0375 0.0031 302 GLY D CA 11920 C C . GLY D 303 ? 0.4355 0.2390 0.2936 0.0460 0.0326 -0.0003 302 GLY D C 11921 O O . GLY D 303 ? 0.4787 0.2608 0.3183 0.0418 0.0327 -0.0024 302 GLY D O 11922 N N . VAL D 304 ? 0.3932 0.2165 0.2685 0.0393 0.0282 -0.0007 303 VAL D N 11923 C CA . VAL D 304 ? 0.3905 0.2133 0.2653 0.0271 0.0236 -0.0032 303 VAL D CA 11924 C C . VAL D 304 ? 0.3728 0.2038 0.2559 0.0227 0.0206 -0.0021 303 VAL D C 11925 O O . VAL D 304 ? 0.3594 0.2079 0.2578 0.0257 0.0201 -0.0003 303 VAL D O 11926 C CB . VAL D 304 ? 0.3783 0.2173 0.2659 0.0232 0.0213 -0.0045 303 VAL D CB 11927 C CG1 . VAL D 304 ? 0.3825 0.2217 0.2700 0.0113 0.0166 -0.0064 303 VAL D CG1 11928 C CG2 . VAL D 304 ? 0.3941 0.2271 0.2749 0.0283 0.0247 -0.0052 303 VAL D CG2 11929 N N . PRO D 305 ? 0.3808 0.1988 0.2532 0.0152 0.0187 -0.0029 304 PRO D N 11930 C CA . PRO D 305 ? 0.3716 0.1976 0.2517 0.0111 0.0164 -0.0018 304 PRO D CA 11931 C C . PRO D 305 ? 0.3386 0.1880 0.2385 0.0069 0.0136 -0.0019 304 PRO D C 11932 O O . PRO D 305 ? 0.3311 0.1856 0.2346 0.0010 0.0115 -0.0035 304 PRO D O 11933 C CB . PRO D 305 ? 0.3998 0.2090 0.2654 0.0018 0.0147 -0.0029 304 PRO D CB 11934 C CG . PRO D 305 ? 0.4354 0.2221 0.2813 0.0046 0.0171 -0.0041 304 PRO D CG 11935 C CD . PRO D 305 ? 0.4130 0.2092 0.2661 0.0092 0.0183 -0.0049 304 PRO D CD 11936 N N . THR D 306 ? 0.3110 0.1735 0.2224 0.0106 0.0136 -0.0001 305 THR D N 11937 C CA . THR D 306 ? 0.2885 0.1715 0.2171 0.0083 0.0115 -0.0001 305 THR D CA 11938 C C . THR D 306 ? 0.2898 0.1780 0.2230 0.0046 0.0101 0.0008 305 THR D C 11939 O O . THR D 306 ? 0.2847 0.1685 0.2144 0.0087 0.0111 0.0027 305 THR D O 11940 C CB . THR D 306 ? 0.2726 0.1672 0.2107 0.0165 0.0128 0.0013 305 THR D CB 11941 O OG1 . THR D 306 ? 0.2734 0.1616 0.2056 0.0208 0.0151 0.0007 305 THR D OG1 11942 C CG2 . THR D 306 ? 0.2553 0.1687 0.2090 0.0138 0.0107 0.0011 305 THR D CG2 11943 N N . PRO D 307 ? 0.3036 0.2010 0.2444 -0.0027 0.0081 0.0000 306 PRO D N 11944 C CA . PRO D 307 ? 0.3047 0.2062 0.2488 -0.0062 0.0075 0.0009 306 PRO D CA 11945 C C . PRO D 307 ? 0.2998 0.2093 0.2504 -0.0003 0.0078 0.0026 306 PRO D C 11946 O O . PRO D 307 ? 0.2759 0.1969 0.2359 0.0030 0.0075 0.0027 306 PRO D O 11947 C CB . PRO D 307 ? 0.2973 0.2107 0.2511 -0.0128 0.0059 0.0000 306 PRO D CB 11948 C CG . PRO D 307 ? 0.3148 0.2238 0.2648 -0.0155 0.0050 -0.0013 306 PRO D CG 11949 C CD . PRO D 307 ? 0.3031 0.2072 0.2492 -0.0078 0.0065 -0.0016 306 PRO D CD 11950 N N . ASP D 308 ? 0.3063 0.2091 0.2510 0.0003 0.0083 0.0041 307 ASP D N 11951 C CA . ASP D 308 ? 0.3272 0.2354 0.2756 0.0054 0.0081 0.0062 307 ASP D CA 11952 C C . ASP D 308 ? 0.3149 0.2276 0.2661 0.0008 0.0074 0.0067 307 ASP D C 11953 O O . ASP D 308 ? 0.3055 0.2272 0.2631 0.0028 0.0065 0.0077 307 ASP D O 11954 C CB . ASP D 308 ? 0.3643 0.2595 0.3020 0.0115 0.0093 0.0082 307 ASP D CB 11955 C CG . ASP D 308 ? 0.4006 0.2991 0.3398 0.0155 0.0086 0.0110 307 ASP D CG 11956 O OD1 . ASP D 308 ? 0.4187 0.3264 0.3648 0.0213 0.0080 0.0127 307 ASP D OD1 11957 O OD2 . ASP D 308 ? 0.4177 0.3094 0.3507 0.0126 0.0084 0.0117 307 ASP D OD2 11958 N N . SER D 309 ? 0.3075 0.2130 0.2527 -0.0053 0.0079 0.0062 308 SER D N 11959 C CA . SER D 309 ? 0.3090 0.2175 0.2554 -0.0096 0.0081 0.0068 308 SER D CA 11960 C C . SER D 309 ? 0.3050 0.2091 0.2478 -0.0175 0.0087 0.0062 308 SER D C 11961 O O . SER D 309 ? 0.3098 0.2052 0.2461 -0.0196 0.0085 0.0055 308 SER D O 11962 C CB . SER D 309 ? 0.3282 0.2296 0.2675 -0.0062 0.0081 0.0090 308 SER D CB 11963 O OG . SER D 309 ? 0.3599 0.2461 0.2873 -0.0044 0.0087 0.0098 308 SER D OG 11964 N N . PHE D 310 ? 0.2873 0.1974 0.2338 -0.0220 0.0095 0.0066 309 PHE D N 11965 C CA . PHE D 310 ? 0.2884 0.1995 0.2353 -0.0299 0.0102 0.0066 309 PHE D CA 11966 C C . PHE D 310 ? 0.3046 0.2117 0.2464 -0.0336 0.0119 0.0082 309 PHE D C 11967 O O . PHE D 310 ? 0.3038 0.2141 0.2470 -0.0308 0.0127 0.0089 309 PHE D O 11968 C CB . PHE D 310 ? 0.2713 0.1982 0.2313 -0.0314 0.0103 0.0058 309 PHE D CB 11969 C CG . PHE D 310 ? 0.2694 0.2007 0.2345 -0.0276 0.0088 0.0043 309 PHE D CG 11970 C CD1 . PHE D 310 ? 0.2835 0.2108 0.2460 -0.0305 0.0075 0.0036 309 PHE D CD1 11971 C CD2 . PHE D 310 ? 0.2641 0.2018 0.2348 -0.0216 0.0084 0.0038 309 PHE D CD2 11972 C CE1 . PHE D 310 ? 0.2779 0.2079 0.2437 -0.0270 0.0064 0.0023 309 PHE D CE1 11973 C CE2 . PHE D 310 ? 0.2572 0.1985 0.2320 -0.0184 0.0072 0.0027 309 PHE D CE2 11974 C CZ . PHE D 310 ? 0.2628 0.2002 0.2351 -0.0208 0.0064 0.0019 309 PHE D CZ 11975 N N . TYR D 311 ? 0.3265 0.2264 0.2618 -0.0404 0.0122 0.0090 310 TYR D N 11976 C CA . TYR D 311 ? 0.3594 0.2556 0.2897 -0.0452 0.0140 0.0108 310 TYR D CA 11977 C C . TYR D 311 ? 0.3456 0.2520 0.2832 -0.0531 0.0151 0.0116 310 TYR D C 11978 O O . TYR D 311 ? 0.3462 0.2510 0.2828 -0.0585 0.0136 0.0117 310 TYR D O 11979 C CB . TYR D 311 ? 0.4194 0.2963 0.3336 -0.0471 0.0137 0.0117 310 TYR D CB 11980 C CG . TYR D 311 ? 0.4982 0.3719 0.4075 -0.0526 0.0157 0.0137 310 TYR D CG 11981 C CD1 . TYR D 311 ? 0.5423 0.4163 0.4504 -0.0488 0.0171 0.0146 310 TYR D CD1 11982 C CD2 . TYR D 311 ? 0.5656 0.4374 0.4720 -0.0622 0.0163 0.0150 310 TYR D CD2 11983 C CE1 . TYR D 311 ? 0.5949 0.4664 0.4984 -0.0538 0.0194 0.0165 310 TYR D CE1 11984 C CE2 . TYR D 311 ? 0.6091 0.4793 0.5118 -0.0674 0.0186 0.0172 310 TYR D CE2 11985 C CZ . TYR D 311 ? 0.6284 0.4981 0.5294 -0.0630 0.0204 0.0178 310 TYR D CZ 11986 O OH . TYR D 311 ? 0.7148 0.5826 0.6114 -0.0681 0.0231 0.0199 310 TYR D OH 11987 N N . TYR D 312 ? 0.3400 0.2569 0.2847 -0.0537 0.0177 0.0126 311 TYR D N 11988 C CA . TYR D 312 ? 0.3468 0.2763 0.3005 -0.0599 0.0194 0.0141 311 TYR D CA 11989 C C . TYR D 312 ? 0.3961 0.3214 0.3438 -0.0660 0.0220 0.0165 311 TYR D C 11990 O O . TYR D 312 ? 0.3976 0.3203 0.3417 -0.0634 0.0243 0.0170 311 TYR D O 11991 C CB . TYR D 312 ? 0.3198 0.2646 0.2859 -0.0555 0.0215 0.0136 311 TYR D CB 11992 C CG . TYR D 312 ? 0.3001 0.2527 0.2747 -0.0515 0.0193 0.0118 311 TYR D CG 11993 C CD1 . TYR D 312 ? 0.2863 0.2350 0.2592 -0.0445 0.0176 0.0098 311 TYR D CD1 11994 C CD2 . TYR D 312 ? 0.2941 0.2591 0.2792 -0.0547 0.0191 0.0125 311 TYR D CD2 11995 C CE1 . TYR D 312 ? 0.2716 0.2273 0.2520 -0.0412 0.0159 0.0082 311 TYR D CE1 11996 C CE2 . TYR D 312 ? 0.2732 0.2447 0.2654 -0.0510 0.0171 0.0109 311 TYR D CE2 11997 C CZ . TYR D 312 ? 0.2679 0.2342 0.2573 -0.0444 0.0156 0.0087 311 TYR D CZ 11998 O OH . TYR D 312 ? 0.2586 0.2309 0.2545 -0.0412 0.0138 0.0073 311 TYR D OH 11999 N N . GLU D 313 ? 0.4468 0.3715 0.3931 -0.0745 0.0214 0.0182 312 GLU D N 12000 C CA . GLU D 313 ? 0.5144 0.4378 0.4568 -0.0816 0.0241 0.0211 312 GLU D CA 12001 C C . GLU D 313 ? 0.4943 0.4368 0.4505 -0.0825 0.0280 0.0231 312 GLU D C 12002 O O . GLU D 313 ? 0.5061 0.4494 0.4604 -0.0846 0.0318 0.0250 312 GLU D O 12003 C CB . GLU D 313 ? 0.6023 0.5183 0.5379 -0.0914 0.0216 0.0227 312 GLU D CB 12004 C CG . GLU D 313 ? 0.7261 0.6200 0.6452 -0.0899 0.0187 0.0209 312 GLU D CG 12005 C CD . GLU D 313 ? 0.8530 0.7370 0.7634 -0.0991 0.0156 0.0216 312 GLU D CD 12006 O OE1 . GLU D 313 ? 0.8662 0.7586 0.7811 -0.1088 0.0158 0.0244 312 GLU D OE1 12007 O OE2 . GLU D 313 ? 0.9712 0.8387 0.8697 -0.0964 0.0131 0.0196 312 GLU D OE2 12008 N N . SER D 314 ? 0.4486 0.4058 0.4181 -0.0804 0.0274 0.0226 313 SER D N 12009 C CA . SER D 314 ? 0.4229 0.3982 0.4058 -0.0788 0.0314 0.0242 313 SER D CA 12010 C C . SER D 314 ? 0.3831 0.3652 0.3740 -0.0703 0.0305 0.0216 313 SER D C 12011 O O . SER D 314 ? 0.3735 0.3587 0.3688 -0.0703 0.0269 0.0206 313 SER D O 12012 C CB . SER D 314 ? 0.4421 0.4308 0.4345 -0.0871 0.0313 0.0278 313 SER D CB 12013 O OG . SER D 314 ? 0.4599 0.4674 0.4667 -0.0841 0.0352 0.0296 313 SER D OG 12014 N N . PHE D 315 ? 0.3690 0.3528 0.3608 -0.0638 0.0338 0.0206 314 PHE D N 12015 C CA . PHE D 315 ? 0.3394 0.3260 0.3353 -0.0559 0.0328 0.0179 314 PHE D CA 12016 C C . PHE D 315 ? 0.3369 0.3374 0.3431 -0.0527 0.0373 0.0191 314 PHE D C 12017 O O . PHE D 315 ? 0.3496 0.3516 0.3544 -0.0533 0.0421 0.0208 314 PHE D O 12018 C CB . PHE D 315 ? 0.3312 0.3047 0.3163 -0.0510 0.0324 0.0158 314 PHE D CB 12019 C CG . PHE D 315 ? 0.3100 0.2851 0.2978 -0.0437 0.0311 0.0133 314 PHE D CG 12020 C CD1 . PHE D 315 ? 0.2963 0.2691 0.2849 -0.0414 0.0267 0.0114 314 PHE D CD1 12021 C CD2 . PHE D 315 ? 0.3037 0.2807 0.2913 -0.0395 0.0343 0.0129 314 PHE D CD2 12022 C CE1 . PHE D 315 ? 0.2831 0.2573 0.2738 -0.0356 0.0255 0.0095 314 PHE D CE1 12023 C CE2 . PHE D 315 ? 0.2938 0.2709 0.2825 -0.0338 0.0327 0.0107 314 PHE D CE2 12024 C CZ . PHE D 315 ? 0.2834 0.2596 0.2740 -0.0321 0.0282 0.0092 314 PHE D CZ 12025 N N . PRO D 316 ? 0.3204 0.3302 0.3360 -0.0489 0.0363 0.0182 315 PRO D N 12026 C CA . PRO D 316 ? 0.3180 0.3260 0.3350 -0.0475 0.0311 0.0160 315 PRO D CA 12027 C C . PRO D 316 ? 0.3300 0.3485 0.3563 -0.0521 0.0288 0.0178 315 PRO D C 12028 O O . PRO D 316 ? 0.3350 0.3534 0.3632 -0.0507 0.0250 0.0162 315 PRO D O 12029 C CB . PRO D 316 ? 0.3038 0.3151 0.3244 -0.0401 0.0321 0.0141 315 PRO D CB 12030 C CG . PRO D 316 ? 0.3015 0.3237 0.3291 -0.0389 0.0377 0.0164 315 PRO D CG 12031 C CD . PRO D 316 ? 0.3240 0.3434 0.3466 -0.0436 0.0409 0.0187 315 PRO D CD 12032 N N . ASP D 317 ? 0.3417 0.3692 0.3734 -0.0580 0.0308 0.0214 316 ASP D N 12033 C CA . ASP D 317 ? 0.3694 0.4102 0.4119 -0.0621 0.0287 0.0239 316 ASP D CA 12034 C C . ASP D 317 ? 0.3873 0.4231 0.4253 -0.0710 0.0238 0.0248 316 ASP D C 12035 O O . ASP D 317 ? 0.4022 0.4495 0.4485 -0.0766 0.0219 0.0279 316 ASP D O 12036 C CB . ASP D 317 ? 0.3951 0.4531 0.4493 -0.0628 0.0337 0.0282 316 ASP D CB 12037 C CG . ASP D 317 ? 0.4150 0.4796 0.4751 -0.0535 0.0381 0.0275 316 ASP D CG 12038 O OD1 . ASP D 317 ? 0.3679 0.4279 0.4266 -0.0476 0.0361 0.0243 316 ASP D OD1 12039 O OD2 . ASP D 317 ? 0.4599 0.5341 0.5258 -0.0522 0.0438 0.0305 316 ASP D OD2 12040 N N . ARG D 318 ? 0.3939 0.4122 0.4182 -0.0725 0.0218 0.0226 317 ARG D N 12041 C CA . ARG D 318 ? 0.4095 0.4183 0.4258 -0.0800 0.0172 0.0227 317 ARG D CA 12042 C C . ARG D 318 ? 0.3836 0.3764 0.3892 -0.0755 0.0141 0.0186 317 ARG D C 12043 O O . ARG D 318 ? 0.3663 0.3527 0.3678 -0.0685 0.0158 0.0164 317 ARG D O 12044 C CB . ARG D 318 ? 0.4740 0.4753 0.4819 -0.0870 0.0187 0.0248 317 ARG D CB 12045 C CG . ARG D 318 ? 0.5455 0.5640 0.5645 -0.0936 0.0211 0.0296 317 ARG D CG 12046 C CD . ARG D 318 ? 0.6265 0.6505 0.6486 -0.1034 0.0162 0.0323 317 ARG D CD 12047 N NE . ARG D 318 ? 0.7162 0.7520 0.7444 -0.1123 0.0179 0.0375 317 ARG D NE 12048 C CZ . ARG D 318 ? 0.8148 0.8414 0.8335 -0.1188 0.0194 0.0390 317 ARG D CZ 12049 N NH1 . ARG D 318 ? 0.8614 0.8665 0.8637 -0.1168 0.0195 0.0357 317 ARG D NH1 12050 N NH2 . ARG D 318 ? 0.8421 0.8819 0.8681 -0.1273 0.0210 0.0443 317 ARG D NH2 12051 N N . ASP D 319 ? 0.3680 0.3546 0.3688 -0.0797 0.0097 0.0180 318 ASP D N 12052 C CA . ASP D 319 ? 0.3679 0.3397 0.3587 -0.0751 0.0074 0.0145 318 ASP D CA 12053 C C . ASP D 319 ? 0.3606 0.3148 0.3371 -0.0736 0.0086 0.0135 318 ASP D C 12054 O O . ASP D 319 ? 0.3630 0.3110 0.3328 -0.0798 0.0093 0.0153 318 ASP D O 12055 C CB . ASP D 319 ? 0.3969 0.3633 0.3829 -0.0804 0.0028 0.0142 318 ASP D CB 12056 C CG . ASP D 319 ? 0.4195 0.4014 0.4182 -0.0801 0.0008 0.0147 318 ASP D CG 12057 O OD1 . ASP D 319 ? 0.4012 0.3941 0.4103 -0.0730 0.0027 0.0141 318 ASP D OD1 12058 O OD2 . ASP D 319 ? 0.4549 0.4367 0.4520 -0.0873 -0.0029 0.0159 318 ASP D OD2 12059 N N . PRO D 320 ? 0.3240 0.2702 0.2958 -0.0655 0.0087 0.0109 319 PRO D N 12060 C CA . PRO D 320 ? 0.3317 0.2621 0.2907 -0.0631 0.0097 0.0104 319 PRO D CA 12061 C C . PRO D 320 ? 0.3582 0.2706 0.3029 -0.0646 0.0074 0.0094 319 PRO D C 12062 O O . PRO D 320 ? 0.3424 0.2540 0.2867 -0.0663 0.0049 0.0084 319 PRO D O 12063 C CB . PRO D 320 ? 0.3216 0.2546 0.2842 -0.0533 0.0106 0.0087 319 PRO D CB 12064 C CG . PRO D 320 ? 0.3052 0.2469 0.2762 -0.0510 0.0088 0.0073 319 PRO D CG 12065 C CD . PRO D 320 ? 0.3026 0.2559 0.2820 -0.0579 0.0084 0.0089 319 PRO D CD 12066 N N . LYS D 321 ? 0.3795 0.2767 0.3115 -0.0637 0.0083 0.0096 320 LYS D N 12067 C CA . LYS D 321 ? 0.4162 0.2944 0.3334 -0.0614 0.0071 0.0084 320 LYS D CA 12068 C C . LYS D 321 ? 0.3703 0.2501 0.2907 -0.0507 0.0074 0.0067 320 LYS D C 12069 O O . LYS D 321 ? 0.3472 0.2362 0.2755 -0.0456 0.0087 0.0070 320 LYS D O 12070 C CB . LYS D 321 ? 0.4751 0.3364 0.3777 -0.0627 0.0083 0.0096 320 LYS D CB 12071 C CG . LYS D 321 ? 0.5728 0.4340 0.4731 -0.0733 0.0086 0.0119 320 LYS D CG 12072 C CD . LYS D 321 ? 0.6426 0.5051 0.5428 -0.0829 0.0059 0.0123 320 LYS D CD 12073 C CE . LYS D 321 ? 0.7141 0.5775 0.6123 -0.0948 0.0059 0.0152 320 LYS D CE 12074 N NZ . LYS D 321 ? 0.7636 0.6043 0.6423 -0.0984 0.0061 0.0159 320 LYS D NZ 12075 N N . ILE D 322 ? 0.3601 0.2298 0.2732 -0.0475 0.0064 0.0053 321 ILE D N 12076 C CA . ILE D 322 ? 0.3431 0.2159 0.2602 -0.0378 0.0068 0.0042 321 ILE D CA 12077 C C . ILE D 322 ? 0.3580 0.2137 0.2616 -0.0313 0.0078 0.0044 321 ILE D C 12078 O O . ILE D 322 ? 0.3558 0.1937 0.2444 -0.0337 0.0078 0.0043 321 ILE D O 12079 C CB . ILE D 322 ? 0.3436 0.2218 0.2655 -0.0380 0.0053 0.0026 321 ILE D CB 12080 C CG1 . ILE D 322 ? 0.3413 0.2370 0.2770 -0.0438 0.0042 0.0029 321 ILE D CG1 12081 C CG2 . ILE D 322 ? 0.3358 0.2183 0.2625 -0.0284 0.0060 0.0018 321 ILE D CG2 12082 C CD1 . ILE D 322 ? 0.3549 0.2564 0.2954 -0.0449 0.0023 0.0017 321 ILE D CD1 12083 N N . CYS D 323 ? 0.3500 0.2110 0.2585 -0.0229 0.0088 0.0051 322 CYS D N 12084 C CA A CYS D 323 ? 0.3588 0.2079 0.2580 -0.0147 0.0099 0.0059 322 CYS D CA 12085 C CA B CYS D 323 ? 0.3717 0.2205 0.2707 -0.0145 0.0099 0.0059 322 CYS D CA 12086 C C . CYS D 323 ? 0.3449 0.2006 0.2504 -0.0078 0.0101 0.0050 322 CYS D C 12087 O O . CYS D 323 ? 0.3206 0.1929 0.2399 -0.0066 0.0093 0.0046 322 CYS D O 12088 C CB A CYS D 323 ? 0.3642 0.2165 0.2655 -0.0107 0.0103 0.0079 322 CYS D CB 12089 C CB B CYS D 323 ? 0.3935 0.2442 0.2936 -0.0100 0.0104 0.0081 322 CYS D CB 12090 S SG A CYS D 323 ? 0.3921 0.2286 0.2807 -0.0014 0.0115 0.0100 322 CYS D SG 12091 S SG B CYS D 323 ? 0.4728 0.3062 0.3576 -0.0145 0.0110 0.0097 322 CYS D SG 12092 N N . PHE D 324 ? 0.3445 0.1863 0.2389 -0.0033 0.0113 0.0047 323 PHE D N 12093 C CA . PHE D 324 ? 0.3227 0.1691 0.2213 0.0025 0.0121 0.0039 323 PHE D CA 12094 C C . PHE D 324 ? 0.3261 0.1702 0.2230 0.0136 0.0141 0.0060 323 PHE D C 12095 O O . PHE D 324 ? 0.3318 0.1613 0.2167 0.0174 0.0156 0.0075 323 PHE D O 12096 C CB . PHE D 324 ? 0.3396 0.1716 0.2260 -0.0007 0.0124 0.0019 323 PHE D CB 12097 C CG . PHE D 324 ? 0.3272 0.1643 0.2172 -0.0113 0.0098 0.0003 323 PHE D CG 12098 C CD1 . PHE D 324 ? 0.3421 0.1709 0.2245 -0.0201 0.0086 0.0005 323 PHE D CD1 12099 C CD2 . PHE D 324 ? 0.3208 0.1712 0.2216 -0.0125 0.0086 -0.0009 323 PHE D CD2 12100 C CE1 . PHE D 324 ? 0.3389 0.1743 0.2258 -0.0299 0.0061 -0.0001 323 PHE D CE1 12101 C CE2 . PHE D 324 ? 0.3198 0.1761 0.2247 -0.0218 0.0061 -0.0018 323 PHE D CE2 12102 C CZ . PHE D 324 ? 0.3231 0.1725 0.2215 -0.0305 0.0048 -0.0012 323 PHE D CZ 12103 N N . GLY D 325 ? 0.3109 0.1694 0.2197 0.0188 0.0143 0.0064 324 GLY D N 12104 C CA . GLY D 325 ? 0.3287 0.1878 0.2378 0.0296 0.0165 0.0088 324 GLY D CA 12105 C C . GLY D 325 ? 0.3369 0.1965 0.2463 0.0333 0.0184 0.0077 324 GLY D C 12106 O O . GLY D 325 ? 0.3456 0.1993 0.2502 0.0278 0.0181 0.0049 324 GLY D O 12107 N N . ASP D 326 ? 0.3359 0.2030 0.2510 0.0424 0.0202 0.0101 325 ASP D N 12108 C CA . ASP D 326 ? 0.3468 0.2139 0.2615 0.0471 0.0229 0.0096 325 ASP D CA 12109 C C . ASP D 326 ? 0.3209 0.2076 0.2513 0.0438 0.0209 0.0086 325 ASP D C 12110 O O . ASP D 326 ? 0.3030 0.2042 0.2454 0.0404 0.0180 0.0093 325 ASP D O 12111 C CB . ASP D 326 ? 0.3765 0.2422 0.2893 0.0592 0.0266 0.0133 325 ASP D CB 12112 C CG . ASP D 326 ? 0.4163 0.2727 0.3207 0.0651 0.0311 0.0127 325 ASP D CG 12113 O OD1 . ASP D 326 ? 0.4341 0.2865 0.3350 0.0599 0.0310 0.0094 325 ASP D OD1 12114 O OD2 . ASP D 326 ? 0.4606 0.3136 0.3617 0.0756 0.0350 0.0159 325 ASP D OD2 12115 N N . GLY D 327 ? 0.3183 0.2039 0.2473 0.0448 0.0227 0.0072 326 GLY D N 12116 C CA . GLY D 327 ? 0.2989 0.2007 0.2408 0.0418 0.0211 0.0061 326 GLY D CA 12117 C C . GLY D 327 ? 0.3048 0.1974 0.2387 0.0386 0.0220 0.0031 326 GLY D C 12118 O O . GLY D 327 ? 0.3174 0.1928 0.2365 0.0415 0.0249 0.0025 326 GLY D O 12119 N N . ASP D 328 ? 0.2833 0.1865 0.2259 0.0325 0.0194 0.0014 327 ASP D N 12120 C CA . ASP D 328 ? 0.2868 0.1840 0.2236 0.0291 0.0194 -0.0010 327 ASP D CA 12121 C C . ASP D 328 ? 0.2876 0.1811 0.2217 0.0189 0.0157 -0.0034 327 ASP D C 12122 O O . ASP D 328 ? 0.2936 0.1852 0.2251 0.0148 0.0145 -0.0052 327 ASP D O 12123 C CB . ASP D 328 ? 0.2839 0.1957 0.2319 0.0309 0.0197 -0.0007 327 ASP D CB 12124 C CG . ASP D 328 ? 0.2736 0.2020 0.2361 0.0255 0.0159 -0.0009 327 ASP D CG 12125 O OD1 . ASP D 328 ? 0.2841 0.2131 0.2482 0.0200 0.0132 -0.0016 327 ASP D OD1 12126 O OD2 . ASP D 328 ? 0.2904 0.2310 0.2623 0.0268 0.0159 -0.0003 327 ASP D OD2 12127 N N . GLY D 329 ? 0.2906 0.1822 0.2241 0.0151 0.0140 -0.0031 328 GLY D N 12128 C CA . GLY D 329 ? 0.2978 0.1885 0.2307 0.0056 0.0106 -0.0045 328 GLY D CA 12129 C C . GLY D 329 ? 0.2819 0.1904 0.2304 0.0022 0.0082 -0.0041 328 GLY D C 12130 O O . GLY D 329 ? 0.2845 0.1941 0.2342 -0.0041 0.0063 -0.0042 328 GLY D O 12131 N N . THR D 330 ? 0.2748 0.1969 0.2347 0.0064 0.0086 -0.0033 329 THR D N 12132 C CA . THR D 330 ? 0.2709 0.2084 0.2442 0.0038 0.0067 -0.0030 329 THR D CA 12133 C C . THR D 330 ? 0.2573 0.2029 0.2374 0.0092 0.0075 -0.0011 329 THR D C 12134 O O . THR D 330 ? 0.2567 0.2063 0.2404 0.0078 0.0066 -0.0003 329 THR D O 12135 C CB . THR D 330 ? 0.2955 0.2416 0.2755 0.0020 0.0054 -0.0041 329 THR D CB 12136 O OG1 . THR D 330 ? 0.3104 0.2500 0.2845 -0.0038 0.0039 -0.0054 329 THR D OG1 12137 C CG2 . THR D 330 ? 0.2951 0.2556 0.2876 0.0003 0.0039 -0.0037 329 THR D CG2 12138 N N . VAL D 331 ? 0.2497 0.1975 0.2309 0.0153 0.0092 -0.0001 330 VAL D N 12139 C CA . VAL D 331 ? 0.2436 0.2003 0.2316 0.0203 0.0095 0.0024 330 VAL D CA 12140 C C . VAL D 331 ? 0.2465 0.1947 0.2274 0.0255 0.0113 0.0044 330 VAL D C 12141 O O . VAL D 331 ? 0.2541 0.1922 0.2263 0.0296 0.0139 0.0046 330 VAL D O 12142 C CB . VAL D 331 ? 0.2420 0.2070 0.2358 0.0241 0.0106 0.0033 330 VAL D CB 12143 C CG1 . VAL D 331 ? 0.2486 0.2238 0.2497 0.0287 0.0106 0.0066 330 VAL D CG1 12144 C CG2 . VAL D 331 ? 0.2404 0.2132 0.2409 0.0192 0.0087 0.0015 330 VAL D CG2 12145 N N . ASN D 332 ? 0.2509 0.2026 0.2345 0.0253 0.0100 0.0060 331 ASN D N 12146 C CA . ASN D 332 ? 0.2618 0.2063 0.2392 0.0301 0.0111 0.0083 331 ASN D CA 12147 C C . ASN D 332 ? 0.2716 0.2222 0.2528 0.0382 0.0129 0.0114 331 ASN D C 12148 O O . ASN D 332 ? 0.2604 0.2247 0.2520 0.0387 0.0119 0.0125 331 ASN D O 12149 C CB . ASN D 332 ? 0.2646 0.2128 0.2447 0.0273 0.0088 0.0093 331 ASN D CB 12150 C CG . ASN D 332 ? 0.2602 0.2044 0.2379 0.0196 0.0077 0.0067 331 ASN D CG 12151 O OD1 . ASN D 332 ? 0.2463 0.1991 0.2311 0.0151 0.0063 0.0054 331 ASN D OD1 12152 N ND2 . ASN D 332 ? 0.2711 0.2021 0.2385 0.0181 0.0086 0.0063 331 ASN D ND2 12153 N N . LEU D 333 ? 0.2879 0.2280 0.2604 0.0445 0.0157 0.0130 332 LEU D N 12154 C CA . LEU D 333 ? 0.3088 0.2546 0.2847 0.0534 0.0181 0.0167 332 LEU D CA 12155 C C . LEU D 333 ? 0.3194 0.2828 0.3081 0.0549 0.0156 0.0204 332 LEU D C 12156 O O . LEU D 333 ? 0.3347 0.3105 0.3322 0.0587 0.0164 0.0230 332 LEU D O 12157 C CB . LEU D 333 ? 0.3347 0.2657 0.2985 0.0606 0.0214 0.0185 332 LEU D CB 12158 C CG . LEU D 333 ? 0.3460 0.2822 0.3127 0.0713 0.0250 0.0228 332 LEU D CG 12159 C CD1 . LEU D 333 ? 0.3586 0.3002 0.3289 0.0729 0.0276 0.0219 332 LEU D CD1 12160 C CD2 . LEU D 333 ? 0.3770 0.2948 0.3290 0.0786 0.0287 0.0241 332 LEU D CD2 12161 N N . LYS D 334 ? 0.3319 0.2965 0.3215 0.0515 0.0125 0.0210 333 LYS D N 12162 C CA . LYS D 334 ? 0.3576 0.3378 0.3579 0.0524 0.0095 0.0248 333 LYS D CA 12163 C C . LYS D 334 ? 0.3226 0.3171 0.3337 0.0477 0.0073 0.0242 333 LYS D C 12164 O O . LYS D 334 ? 0.3104 0.3181 0.3300 0.0490 0.0054 0.0278 333 LYS D O 12165 C CB . LYS D 334 ? 0.4127 0.3911 0.4108 0.0497 0.0065 0.0258 333 LYS D CB 12166 C CG . LYS D 334 ? 0.4463 0.4188 0.4408 0.0412 0.0049 0.0217 333 LYS D CG 12167 C CD . LYS D 334 ? 0.5277 0.4982 0.5192 0.0398 0.0024 0.0234 333 LYS D CD 12168 C CE . LYS D 334 ? 0.5604 0.5159 0.5405 0.0434 0.0044 0.0241 333 LYS D CE 12169 N NZ . LYS D 334 ? 0.6407 0.5988 0.6207 0.0473 0.0024 0.0287 333 LYS D NZ 12170 N N A SER D 335 ? 0.3312 0.3236 0.3419 0.0432 0.0079 0.0203 334 SER D N 12171 N N B SER D 335 ? 0.2800 0.2707 0.2895 0.0411 0.0069 0.0197 334 SER D N 12172 C CA A SER D 335 ? 0.3278 0.3332 0.3481 0.0409 0.0069 0.0203 334 SER D CA 12173 C CA B SER D 335 ? 0.2452 0.2457 0.2623 0.0355 0.0046 0.0182 334 SER D CA 12174 C C A SER D 335 ? 0.3397 0.3553 0.3665 0.0474 0.0089 0.0244 334 SER D C 12175 C C B SER D 335 ? 0.2252 0.2321 0.2471 0.0381 0.0065 0.0187 334 SER D C 12176 O O A SER D 335 ? 0.3295 0.3591 0.3658 0.0457 0.0068 0.0267 334 SER D O 12177 O O B SER D 335 ? 0.2095 0.2283 0.2397 0.0364 0.0048 0.0201 334 SER D O 12178 C CB A SER D 335 ? 0.3342 0.3350 0.3525 0.0359 0.0074 0.0158 334 SER D CB 12179 C CB B SER D 335 ? 0.2380 0.2313 0.2511 0.0289 0.0041 0.0138 334 SER D CB 12180 O OG A SER D 335 ? 0.3456 0.3429 0.3620 0.0296 0.0052 0.0132 334 SER D OG 12181 O OG B SER D 335 ? 0.2199 0.2212 0.2393 0.0242 0.0023 0.0123 334 SER D OG 12182 N N A ALA D 336 ? 0.3184 0.3269 0.3397 0.0545 0.0132 0.0254 335 ALA D N 12183 N N B ALA D 336 ? 0.2204 0.2183 0.2359 0.0420 0.0102 0.0177 335 ALA D N 12184 C CA A ALA D 336 ? 0.3552 0.3734 0.3825 0.0615 0.0161 0.0295 335 ALA D CA 12185 C CA B ALA D 336 ? 0.2153 0.2176 0.2336 0.0458 0.0129 0.0185 335 ALA D CA 12186 C C A ALA D 336 ? 0.3629 0.3962 0.3999 0.0647 0.0139 0.0356 335 ALA D C 12187 C C B ALA D 336 ? 0.2125 0.2267 0.2382 0.0521 0.0137 0.0240 335 ALA D C 12188 O O A ALA D 336 ? 0.3723 0.4194 0.4183 0.0679 0.0150 0.0395 335 ALA D O 12189 O O B ALA D 336 ? 0.2035 0.2294 0.2372 0.0527 0.0141 0.0259 335 ALA D O 12190 C CB A ALA D 336 ? 0.3695 0.3745 0.3867 0.0694 0.0217 0.0295 335 ALA D CB 12191 C CB B ALA D 336 ? 0.2263 0.2136 0.2334 0.0489 0.0168 0.0164 335 ALA D CB 12192 N N A LEU D 337 ? 0.3735 0.4047 0.4086 0.0637 0.0108 0.0368 336 LEU D N 12193 N N B LEU D 337 ? 0.2148 0.2264 0.2380 0.0566 0.0138 0.0269 336 LEU D N 12194 C CA A LEU D 337 ? 0.3987 0.4441 0.4425 0.0662 0.0079 0.0429 336 LEU D CA 12195 C CA B LEU D 337 ? 0.2201 0.2428 0.2500 0.0640 0.0149 0.0328 336 LEU D CA 12196 C C A LEU D 337 ? 0.3803 0.4417 0.4348 0.0593 0.0037 0.0441 336 LEU D C 12197 C C B LEU D 337 ? 0.2137 0.2543 0.2557 0.0606 0.0103 0.0365 336 LEU D C 12198 O O A LEU D 337 ? 0.3382 0.4153 0.4023 0.0610 0.0017 0.0498 336 LEU D O 12199 O O B LEU D 337 ? 0.2090 0.2615 0.2583 0.0658 0.0103 0.0421 336 LEU D O 12200 C CB A LEU D 337 ? 0.4417 0.4802 0.4799 0.0656 0.0050 0.0436 336 LEU D CB 12201 C CB B LEU D 337 ? 0.2310 0.2438 0.2532 0.0707 0.0165 0.0350 336 LEU D CB 12202 C CG A LEU D 337 ? 0.4768 0.5014 0.5050 0.0737 0.0086 0.0446 336 LEU D CG 12203 C CG B LEU D 337 ? 0.2445 0.2414 0.2550 0.0774 0.0223 0.0336 336 LEU D CG 12204 C CD1 A LEU D 337 ? 0.4800 0.4957 0.5011 0.0709 0.0055 0.0442 336 LEU D CD1 12205 C CD1 B LEU D 337 ? 0.2566 0.2460 0.2608 0.0855 0.0241 0.0372 336 LEU D CD1 12206 C CD2 A LEU D 337 ? 0.4914 0.5256 0.5254 0.0842 0.0113 0.0512 336 LEU D CD2 12207 C CD2 B LEU D 337 ? 0.2438 0.2477 0.2587 0.0820 0.0264 0.0350 336 LEU D CD2 12208 N N A GLN D 338 ? 0.3447 0.4021 0.3973 0.0514 0.0022 0.0389 337 GLN D N 12209 N N B GLN D 338 ? 0.2123 0.2548 0.2561 0.0519 0.0064 0.0335 337 GLN D N 12210 C CA A GLN D 338 ? 0.3447 0.4142 0.4052 0.0447 -0.0014 0.0396 337 GLN D CA 12211 C CA B GLN D 338 ? 0.2162 0.2726 0.2687 0.0472 0.0016 0.0363 337 GLN D CA 12212 C C A GLN D 338 ? 0.3353 0.4174 0.4043 0.0478 0.0009 0.0428 337 GLN D C 12213 C C B GLN D 338 ? 0.2247 0.2972 0.2878 0.0484 0.0020 0.0403 337 GLN D C 12214 O O A GLN D 338 ? 0.3041 0.4013 0.3822 0.0462 -0.0019 0.0475 337 GLN D O 12215 O O B GLN D 338 ? 0.2212 0.3067 0.2919 0.0451 -0.0020 0.0439 337 GLN D O 12216 C CB A GLN D 338 ? 0.3498 0.4113 0.4057 0.0369 -0.0027 0.0336 337 GLN D CB 12217 C CB B GLN D 338 ? 0.2110 0.2628 0.2608 0.0382 -0.0015 0.0317 337 GLN D CB 12218 C CG A GLN D 338 ? 0.3584 0.4297 0.4201 0.0299 -0.0065 0.0341 337 GLN D CG 12219 C CG B GLN D 338 ? 0.2055 0.2674 0.2607 0.0320 -0.0066 0.0336 337 GLN D CG 12220 C CD A GLN D 338 ? 0.3709 0.4467 0.4335 0.0256 -0.0118 0.0367 337 GLN D CD 12221 C CD B GLN D 338 ? 0.2085 0.2768 0.2659 0.0337 -0.0099 0.0386 337 GLN D CD 12222 O OE1 A GLN D 338 ? 0.3869 0.4597 0.4465 0.0280 -0.0128 0.0384 337 GLN D OE1 12223 O OE1 B GLN D 338 ? 0.2091 0.2698 0.2609 0.0371 -0.0094 0.0391 337 GLN D OE1 12224 N NE2 A GLN D 338 ? 0.3886 0.4701 0.4537 0.0187 -0.0153 0.0367 337 GLN D NE2 12225 N NE2 B GLN D 338 ? 0.2068 0.2890 0.2719 0.0306 -0.0136 0.0427 337 GLN D NE2 12226 N N A CYS D 339 ? 0.3439 0.4200 0.4098 0.0519 0.0060 0.0407 338 CYS D N 12227 N N B CYS D 339 ? 0.2417 0.3131 0.3045 0.0530 0.0069 0.0398 338 CYS D N 12228 C CA A CYS D 339 ? 0.3634 0.4519 0.4373 0.0555 0.0089 0.0444 338 CYS D CA 12229 C CA B CYS D 339 ? 0.2528 0.3391 0.3253 0.0545 0.0082 0.0435 338 CYS D CA 12230 C C A CYS D 339 ? 0.3573 0.4581 0.4384 0.0626 0.0097 0.0514 338 CYS D C 12231 C C B CYS D 339 ? 0.2900 0.3896 0.3704 0.0623 0.0097 0.0509 338 CYS D C 12232 O O A CYS D 339 ? 0.3486 0.4660 0.4403 0.0626 0.0094 0.0561 338 CYS D O 12233 O O B CYS D 339 ? 0.2902 0.4062 0.3810 0.0624 0.0096 0.0555 338 CYS D O 12234 C CB A CYS D 339 ? 0.4017 0.4809 0.4696 0.0606 0.0150 0.0418 338 CYS D CB 12235 C CB B CYS D 339 ? 0.2446 0.3240 0.3129 0.0563 0.0132 0.0401 338 CYS D CB 12236 S SG A CYS D 339 ? 0.4188 0.4823 0.4772 0.0540 0.0148 0.0340 338 CYS D SG 12237 S SG B CYS D 339 ? 0.2262 0.2828 0.2794 0.0611 0.0177 0.0353 338 CYS D SG 12238 N N . GLN D 340 ? 0.3443 0.4370 0.4198 0.0690 0.0111 0.0524 339 GLN D N 12239 C CA . GLN D 340 ? 0.3812 0.4857 0.4637 0.0772 0.0121 0.0599 339 GLN D CA 12240 C C . GLN D 340 ? 0.3514 0.4736 0.4447 0.0717 0.0053 0.0649 339 GLN D C 12241 O O . GLN D 340 ? 0.3425 0.4830 0.4473 0.0750 0.0053 0.0717 339 GLN D O 12242 C CB . GLN D 340 ? 0.4602 0.5505 0.5330 0.0845 0.0144 0.0598 339 GLN D CB 12243 C CG . GLN D 340 ? 0.5425 0.6441 0.6219 0.0944 0.0159 0.0678 339 GLN D CG 12244 C CD . GLN D 340 ? 0.6430 0.7280 0.7109 0.1016 0.0181 0.0675 339 GLN D CD 12245 O OE1 . GLN D 340 ? 0.7045 0.7797 0.7656 0.0969 0.0141 0.0649 339 GLN D OE1 12246 N NE2 . GLN D 340 ? 0.6942 0.7745 0.7585 0.1131 0.0249 0.0700 339 GLN D NE2 12247 N N . ALA D 341 ? 0.3220 0.4389 0.4114 0.0630 -0.0002 0.0617 340 ALA D N 12248 C CA . ALA D 341 ? 0.3179 0.4485 0.4146 0.0562 -0.0072 0.0657 340 ALA D CA 12249 C C . ALA D 341 ? 0.3052 0.4515 0.4119 0.0506 -0.0088 0.0679 340 ALA D C 12250 O O . ALA D 341 ? 0.2865 0.4497 0.4025 0.0478 -0.0133 0.0741 340 ALA D O 12251 C CB . ALA D 341 ? 0.3209 0.4395 0.4088 0.0480 -0.0119 0.0608 340 ALA D CB 12252 N N . TRP D 342 ? 0.2679 0.4087 0.3722 0.0485 -0.0055 0.0632 341 TRP D N 12253 C CA . TRP D 342 ? 0.2629 0.4166 0.3752 0.0428 -0.0068 0.0650 341 TRP D CA 12254 C C . TRP D 342 ? 0.2699 0.4424 0.3943 0.0489 -0.0037 0.0723 341 TRP D C 12255 O O . TRP D 342 ? 0.2455 0.4333 0.3788 0.0435 -0.0063 0.0762 341 TRP D O 12256 C CB . TRP D 342 ? 0.2469 0.3889 0.3528 0.0392 -0.0041 0.0581 341 TRP D CB 12257 C CG . TRP D 342 ? 0.2420 0.3703 0.3390 0.0315 -0.0076 0.0519 341 TRP D CG 12258 C CD1 . TRP D 342 ? 0.2456 0.3736 0.3407 0.0247 -0.0136 0.0520 341 TRP D CD1 12259 C CD2 . TRP D 342 ? 0.2393 0.3526 0.3278 0.0298 -0.0052 0.0450 341 TRP D CD2 12260 N NE1 . TRP D 342 ? 0.2520 0.3654 0.3380 0.0197 -0.0144 0.0455 341 TRP D NE1 12261 C CE2 . TRP D 342 ? 0.2462 0.3515 0.3289 0.0227 -0.0094 0.0414 341 TRP D CE2 12262 C CE3 . TRP D 342 ? 0.2490 0.3549 0.3340 0.0335 0.0000 0.0417 341 TRP D CE3 12263 C CZ2 . TRP D 342 ? 0.2408 0.3326 0.3159 0.0198 -0.0084 0.0351 341 TRP D CZ2 12264 C CZ3 . TRP D 342 ? 0.2435 0.3357 0.3205 0.0299 0.0002 0.0354 341 TRP D CZ3 12265 C CH2 . TRP D 342 ? 0.2392 0.3255 0.3122 0.0234 -0.0038 0.0324 341 TRP D CH2 12266 N N . GLN D 343 ? 0.3049 0.4758 0.4291 0.0602 0.0021 0.0744 342 GLN D N 12267 C CA . GLN D 343 ? 0.3541 0.5428 0.4897 0.0678 0.0062 0.0818 342 GLN D CA 12268 C C . GLN D 343 ? 0.3450 0.5572 0.4944 0.0644 0.0005 0.0903 342 GLN D C 12269 O O . GLN D 343 ? 0.3491 0.5796 0.5099 0.0641 0.0016 0.0958 342 GLN D O 12270 C CB . GLN D 343 ? 0.4134 0.5954 0.5451 0.0811 0.0125 0.0835 342 GLN D CB 12271 C CG . GLN D 343 ? 0.4628 0.6235 0.5814 0.0855 0.0191 0.0765 342 GLN D CG 12272 C CD . GLN D 343 ? 0.5304 0.6843 0.6442 0.0991 0.0259 0.0789 342 GLN D CD 12273 O OE1 . GLN D 343 ? 0.5909 0.7413 0.7023 0.1035 0.0244 0.0811 342 GLN D OE1 12274 N NE2 . GLN D 343 ? 0.5297 0.6800 0.6407 0.1059 0.0336 0.0784 342 GLN D NE2 12275 N N . SER D 344 ? 0.3376 0.5494 0.4857 0.0614 -0.0057 0.0918 343 SER D N 12276 C CA . SER D 344 ? 0.3641 0.5979 0.5245 0.0578 -0.0120 0.1003 343 SER D CA 12277 C C . SER D 344 ? 0.3503 0.5878 0.5110 0.0431 -0.0197 0.0991 343 SER D C 12278 O O . SER D 344 ? 0.3498 0.6055 0.5201 0.0379 -0.0257 0.1060 343 SER D O 12279 C CB . SER D 344 ? 0.3890 0.6215 0.5477 0.0627 -0.0151 0.1037 343 SER D CB 12280 O OG . SER D 344 ? 0.4285 0.6424 0.5742 0.0560 -0.0195 0.0971 343 SER D OG 12281 N N . ARG D 345 ? 0.3089 0.5298 0.4594 0.0365 -0.0195 0.0907 344 ARG D N 12282 C CA . ARG D 345 ? 0.3122 0.5325 0.4601 0.0230 -0.0262 0.0887 344 ARG D CA 12283 C C . ARG D 345 ? 0.2879 0.5134 0.4392 0.0176 -0.0245 0.0879 344 ARG D C 12284 O O . ARG D 345 ? 0.2847 0.5097 0.4335 0.0065 -0.0298 0.0867 344 ARG D O 12285 C CB . ARG D 345 ? 0.3371 0.5342 0.4699 0.0188 -0.0278 0.0801 344 ARG D CB 12286 C CG . ARG D 345 ? 0.3725 0.5641 0.5003 0.0205 -0.0313 0.0810 344 ARG D CG 12287 C CD . ARG D 345 ? 0.3967 0.5658 0.5101 0.0170 -0.0316 0.0726 344 ARG D CD 12288 N NE . ARG D 345 ? 0.4433 0.6046 0.5511 0.0213 -0.0325 0.0727 344 ARG D NE 12289 C CZ . ARG D 345 ? 0.4941 0.6364 0.5906 0.0230 -0.0300 0.0663 344 ARG D CZ 12290 N NH1 . ARG D 345 ? 0.4823 0.6121 0.5726 0.0210 -0.0266 0.0594 344 ARG D NH1 12291 N NH2 . ARG D 345 ? 0.5003 0.6367 0.5920 0.0267 -0.0310 0.0673 344 ARG D NH2 12292 N N . GLN D 346 ? 0.2668 0.4952 0.4221 0.0251 -0.0171 0.0881 345 GLN D N 12293 C CA . GLN D 346 ? 0.2437 0.4779 0.4026 0.0203 -0.0153 0.0879 345 GLN D CA 12294 C C . GLN D 346 ? 0.2397 0.4922 0.4111 0.0285 -0.0095 0.0949 345 GLN D C 12295 O O . GLN D 346 ? 0.2405 0.4947 0.4142 0.0398 -0.0048 0.0973 345 GLN D O 12296 C CB . GLN D 346 ? 0.2283 0.4416 0.3752 0.0191 -0.0117 0.0787 345 GLN D CB 12297 C CG . GLN D 346 ? 0.2238 0.4251 0.3652 0.0301 -0.0041 0.0749 345 GLN D CG 12298 C CD . GLN D 346 ? 0.2166 0.4015 0.3484 0.0283 -0.0008 0.0673 345 GLN D CD 12299 O OE1 . GLN D 346 ? 0.2166 0.3898 0.3407 0.0210 -0.0044 0.0620 345 GLN D OE1 12300 N NE2 . GLN D 346 ? 0.2127 0.3970 0.3447 0.0351 0.0060 0.0670 345 GLN D NE2 12301 N N . GLU D 347 ? 0.2503 0.5166 0.4294 0.0228 -0.0097 0.0984 346 GLU D N 12302 C CA . GLU D 347 ? 0.2541 0.5387 0.4454 0.0301 -0.0033 0.1052 346 GLU D CA 12303 C C . GLU D 347 ? 0.2377 0.5102 0.4227 0.0380 0.0057 0.1003 346 GLU D C 12304 O O . GLU D 347 ? 0.2149 0.4955 0.4057 0.0488 0.0128 0.1044 346 GLU D O 12305 C CB . GLU D 347 ? 0.2766 0.5798 0.4778 0.0205 -0.0063 0.1106 346 GLU D CB 12306 C CG . GLU D 347 ? 0.3046 0.6212 0.5120 0.0112 -0.0159 0.1163 346 GLU D CG 12307 C CD . GLU D 347 ? 0.3204 0.6513 0.5343 -0.0012 -0.0201 0.1206 346 GLU D CD 12308 O OE1 . GLU D 347 ? 0.2974 0.6207 0.5063 -0.0051 -0.0171 0.1165 346 GLU D OE1 12309 O OE2 . GLU D 347 ? 0.3357 0.6850 0.5590 -0.0075 -0.0269 0.1283 346 GLU D OE2 12310 N N . HIS D 348 ? 0.2140 0.4679 0.3872 0.0325 0.0057 0.0920 347 HIS D N 12311 C CA A HIS D 348 ? 0.2144 0.4550 0.3799 0.0392 0.0136 0.0870 347 HIS D CA 12312 C CA B HIS D 348 ? 0.2150 0.4552 0.3803 0.0390 0.0135 0.0868 347 HIS D CA 12313 C C . HIS D 348 ? 0.2159 0.4440 0.3748 0.0507 0.0182 0.0846 347 HIS D C 12314 O O . HIS D 348 ? 0.2027 0.4239 0.3577 0.0508 0.0141 0.0832 347 HIS D O 12315 C CB A HIS D 348 ? 0.2120 0.4341 0.3657 0.0314 0.0118 0.0787 347 HIS D CB 12316 C CB B HIS D 348 ? 0.2128 0.4343 0.3661 0.0308 0.0113 0.0784 347 HIS D CB 12317 C CG A HIS D 348 ? 0.2083 0.4386 0.3657 0.0221 0.0099 0.0801 347 HIS D CG 12318 C CG B HIS D 348 ? 0.2096 0.4392 0.3665 0.0197 0.0074 0.0798 347 HIS D CG 12319 N ND1 A HIS D 348 ? 0.2068 0.4454 0.3680 0.0112 0.0023 0.0828 347 HIS D ND1 12320 N ND1 B HIS D 348 ? 0.2127 0.4439 0.3698 0.0186 0.0117 0.0797 347 HIS D ND1 12321 C CD2 A HIS D 348 ? 0.2166 0.4464 0.3729 0.0216 0.0145 0.0792 347 HIS D CD2 12322 C CD2 B HIS D 348 ? 0.2093 0.4438 0.3679 0.0088 -0.0003 0.0814 347 HIS D CD2 12323 C CE1 A HIS D 348 ? 0.2104 0.4535 0.3730 0.0043 0.0023 0.0836 347 HIS D CE1 12324 C CE1 B HIS D 348 ? 0.2109 0.4482 0.3702 0.0076 0.0067 0.0812 347 HIS D CE1 12325 N NE2 A HIS D 348 ? 0.2158 0.4541 0.3759 0.0105 0.0097 0.0816 347 HIS D NE2 12326 N NE2 B HIS D 348 ? 0.2114 0.4504 0.3713 0.0013 -0.0006 0.0822 347 HIS D NE2 12327 N N . GLN D 349 ? 0.2274 0.4515 0.3836 0.0602 0.0267 0.0844 348 GLN D N 12328 C CA . GLN D 349 ? 0.2619 0.4730 0.4104 0.0716 0.0316 0.0826 348 GLN D CA 12329 C C . GLN D 349 ? 0.2382 0.4246 0.3716 0.0687 0.0293 0.0736 348 GLN D C 12330 O O . GLN D 349 ? 0.2065 0.3827 0.3333 0.0612 0.0276 0.0678 348 GLN D O 12331 C CB . GLN D 349 ? 0.3098 0.5175 0.4550 0.0814 0.0414 0.0830 348 GLN D CB 12332 C CG . GLN D 349 ? 0.3842 0.6152 0.5434 0.0871 0.0462 0.0920 348 GLN D CG 12333 C CD . GLN D 349 ? 0.4445 0.6672 0.5967 0.0970 0.0566 0.0910 348 GLN D CD 12334 O OE1 . GLN D 349 ? 0.4827 0.6914 0.6255 0.1074 0.0618 0.0894 348 GLN D OE1 12335 N NE2 . GLN D 349 ? 0.5082 0.7372 0.6630 0.0936 0.0596 0.0916 348 GLN D NE2 12336 N N . VAL D 350 ? 0.2424 0.4200 0.3707 0.0748 0.0295 0.0731 349 VAL D N 12337 C CA . VAL D 350 ? 0.2489 0.4030 0.3626 0.0740 0.0287 0.0653 349 VAL D CA 12338 C C . VAL D 350 ? 0.2729 0.4149 0.3780 0.0859 0.0363 0.0649 349 VAL D C 12339 O O . VAL D 350 ? 0.2883 0.4363 0.3972 0.0943 0.0383 0.0702 349 VAL D O 12340 C CB . VAL D 350 ? 0.2561 0.4080 0.3692 0.0697 0.0219 0.0648 349 VAL D CB 12341 C CG1 . VAL D 350 ? 0.2681 0.3966 0.3666 0.0691 0.0218 0.0574 349 VAL D CG1 12342 C CG2 . VAL D 350 ? 0.2513 0.4133 0.3708 0.0579 0.0145 0.0653 349 VAL D CG2 12343 N N A LEU D 351 ? 0.2762 0.4014 0.3695 0.0866 0.0404 0.0592 350 LEU D N 12344 N N B LEU D 351 ? 0.2742 0.3994 0.3675 0.0866 0.0404 0.0592 350 LEU D N 12345 C CA A LEU D 351 ? 0.3012 0.4110 0.3830 0.0969 0.0476 0.0580 350 LEU D CA 12346 C CA B LEU D 351 ? 0.2977 0.4073 0.3793 0.0969 0.0477 0.0579 350 LEU D CA 12347 C C A LEU D 351 ? 0.3094 0.3964 0.3766 0.0941 0.0453 0.0511 350 LEU D C 12348 C C B LEU D 351 ? 0.3074 0.3942 0.3745 0.0942 0.0454 0.0511 350 LEU D C 12349 O O A LEU D 351 ? 0.3082 0.3870 0.3706 0.0855 0.0417 0.0455 350 LEU D O 12350 O O B LEU D 351 ? 0.3062 0.3848 0.3684 0.0857 0.0421 0.0455 350 LEU D O 12351 C CB A LEU D 351 ? 0.3089 0.4147 0.3860 0.0995 0.0540 0.0566 350 LEU D CB 12352 C CB B LEU D 351 ? 0.3029 0.4080 0.3795 0.0989 0.0539 0.0562 350 LEU D CB 12353 C CG A LEU D 351 ? 0.3069 0.4337 0.3970 0.0998 0.0565 0.0622 350 LEU D CG 12354 C CG B LEU D 351 ? 0.3015 0.4269 0.3904 0.1021 0.0580 0.0625 350 LEU D CG 12355 C CD1 A LEU D 351 ? 0.3177 0.4389 0.4011 0.1082 0.0659 0.0627 350 LEU D CD1 12356 C CD1 B LEU D 351 ? 0.3088 0.4481 0.4067 0.1128 0.0617 0.0705 350 LEU D CD1 12357 C CD2 A LEU D 351 ? 0.3034 0.4528 0.4094 0.1030 0.0550 0.0705 350 LEU D CD2 12358 C CD2 B LEU D 351 ? 0.2827 0.4245 0.3835 0.0908 0.0518 0.0636 350 LEU D CD2 12359 N N . LEU D 352 ? 0.3245 0.4019 0.3850 0.1013 0.0472 0.0520 351 LEU D N 12360 C CA . LEU D 352 ? 0.3436 0.3992 0.3898 0.0989 0.0454 0.0461 351 LEU D CA 12361 C C . LEU D 352 ? 0.3476 0.3832 0.3779 0.1051 0.0522 0.0431 351 LEU D C 12362 O O . LEU D 352 ? 0.3427 0.3787 0.3716 0.1156 0.0587 0.0469 351 LEU D O 12363 C CB . LEU D 352 ? 0.3854 0.4405 0.4321 0.1016 0.0426 0.0487 351 LEU D CB 12364 C CG . LEU D 352 ? 0.4154 0.4766 0.4682 0.0914 0.0344 0.0472 351 LEU D CG 12365 C CD1 . LEU D 352 ? 0.4097 0.4946 0.4789 0.0875 0.0309 0.0520 351 LEU D CD1 12366 C CD2 . LEU D 352 ? 0.4532 0.5075 0.5015 0.0934 0.0320 0.0482 351 LEU D CD2 12367 N N . GLN D 353 ? 0.3126 0.3306 0.3307 0.0988 0.0507 0.0364 352 GLN D N 12368 C CA . GLN D 353 ? 0.3392 0.3356 0.3397 0.1033 0.0562 0.0332 352 GLN D CA 12369 C C . GLN D 353 ? 0.3464 0.3222 0.3330 0.0983 0.0531 0.0279 352 GLN D C 12370 O O . GLN D 353 ? 0.3178 0.2907 0.3035 0.0885 0.0482 0.0235 352 GLN D O 12371 C CB . GLN D 353 ? 0.3486 0.3438 0.3465 0.1005 0.0585 0.0307 352 GLN D CB 12372 C CG . GLN D 353 ? 0.3801 0.3512 0.3579 0.1040 0.0637 0.0270 352 GLN D CG 12373 C CD . GLN D 353 ? 0.4177 0.3832 0.3891 0.1172 0.0717 0.0310 352 GLN D CD 12374 O OE1 . GLN D 353 ? 0.4339 0.4132 0.4138 0.1238 0.0765 0.0355 352 GLN D OE1 12375 N NE2 . GLN D 353 ? 0.4332 0.3790 0.3898 0.1214 0.0733 0.0296 352 GLN D NE2 12376 N N . GLU D 354 ? 0.3556 0.3176 0.3316 0.1052 0.0560 0.0289 353 GLU D N 12377 C CA . GLU D 354 ? 0.3679 0.3085 0.3286 0.1009 0.0539 0.0243 353 GLU D CA 12378 C C . GLU D 354 ? 0.3713 0.2922 0.3153 0.0985 0.0564 0.0195 353 GLU D C 12379 O O . GLU D 354 ? 0.3662 0.2819 0.3036 0.1054 0.0626 0.0204 353 GLU D O 12380 C CB . GLU D 354 ? 0.3995 0.3294 0.3520 0.1095 0.0567 0.0271 353 GLU D CB 12381 C CG . GLU D 354 ? 0.4283 0.3387 0.3672 0.1037 0.0535 0.0232 353 GLU D CG 12382 C CD . GLU D 354 ? 0.4750 0.3704 0.4020 0.1126 0.0570 0.0255 353 GLU D CD 12383 O OE1 . GLU D 354 ? 0.5093 0.4114 0.4404 0.1239 0.0617 0.0306 353 GLU D OE1 12384 O OE2 . GLU D 354 ? 0.4747 0.3516 0.3883 0.1081 0.0550 0.0225 353 GLU D OE2 12385 N N . LEU D 355 ? 0.3623 0.2726 0.2992 0.0886 0.0516 0.0147 354 LEU D N 12386 C CA . LEU D 355 ? 0.3789 0.2696 0.2991 0.0843 0.0524 0.0101 354 LEU D CA 12387 C C . LEU D 355 ? 0.4023 0.2721 0.3068 0.0813 0.0508 0.0077 354 LEU D C 12388 O O . LEU D 355 ? 0.3741 0.2430 0.2795 0.0715 0.0451 0.0050 354 LEU D O 12389 C CB . LEU D 355 ? 0.3672 0.2665 0.2945 0.0740 0.0474 0.0071 354 LEU D CB 12390 C CG . LEU D 355 ? 0.3631 0.2836 0.3063 0.0752 0.0481 0.0094 354 LEU D CG 12391 C CD1 . LEU D 355 ? 0.3504 0.2784 0.3005 0.0648 0.0424 0.0066 354 LEU D CD1 12392 C CD2 . LEU D 355 ? 0.3840 0.2993 0.3199 0.0829 0.0551 0.0106 354 LEU D CD2 12393 N N . PRO D 356 ? 0.4309 0.2836 0.3209 0.0899 0.0560 0.0090 355 PRO D N 12394 C CA . PRO D 356 ? 0.4509 0.2828 0.3252 0.0867 0.0545 0.0069 355 PRO D CA 12395 C C . PRO D 356 ? 0.4594 0.2730 0.3178 0.0770 0.0520 0.0020 355 PRO D C 12396 O O . PRO D 356 ? 0.4567 0.2601 0.3043 0.0782 0.0551 0.0003 355 PRO D O 12397 C CB . PRO D 356 ? 0.4879 0.3045 0.3488 0.0994 0.0615 0.0097 355 PRO D CB 12398 C CG . PRO D 356 ? 0.4902 0.3216 0.3613 0.1094 0.0669 0.0134 355 PRO D CG 12399 C CD . PRO D 356 ? 0.4676 0.3180 0.3536 0.1026 0.0639 0.0122 355 PRO D CD 12400 N N . GLY D 357 ? 0.4568 0.2674 0.3144 0.0671 0.0463 0.0000 356 GLY D N 12401 C CA . GLY D 357 ? 0.4733 0.2688 0.3175 0.0565 0.0428 -0.0040 356 GLY D CA 12402 C C . GLY D 357 ? 0.4641 0.2747 0.3202 0.0485 0.0385 -0.0057 356 GLY D C 12403 O O . GLY D 357 ? 0.4854 0.2853 0.3312 0.0403 0.0358 -0.0086 356 GLY D O 12404 N N . SER D 358 ? 0.4230 0.2577 0.2997 0.0505 0.0379 -0.0038 357 SER D N 12405 C CA . SER D 358 ? 0.4153 0.2634 0.3025 0.0439 0.0343 -0.0052 357 SER D CA 12406 C C . SER D 358 ? 0.3908 0.2523 0.2912 0.0353 0.0282 -0.0057 357 SER D C 12407 O O . SER D 358 ? 0.3843 0.2606 0.2986 0.0374 0.0274 -0.0036 357 SER D O 12408 C CB . SER D 358 ? 0.4043 0.2688 0.3040 0.0508 0.0376 -0.0030 357 SER D CB 12409 O OG . SER D 358 ? 0.4140 0.2881 0.3208 0.0449 0.0347 -0.0044 357 SER D OG 12410 N N . GLU D 359 ? 0.3817 0.2378 0.2772 0.0257 0.0239 -0.0081 358 GLU D N 12411 C CA . GLU D 359 ? 0.3656 0.2337 0.2728 0.0178 0.0187 -0.0083 358 GLU D CA 12412 C C . GLU D 359 ? 0.3343 0.2234 0.2593 0.0169 0.0168 -0.0078 358 GLU D C 12413 O O . GLU D 359 ? 0.3340 0.2265 0.2603 0.0192 0.0182 -0.0080 358 GLU D O 12414 C CB . GLU D 359 ? 0.3982 0.2542 0.2944 0.0079 0.0149 -0.0104 358 GLU D CB 12415 C CG . GLU D 359 ? 0.4154 0.2826 0.3223 -0.0001 0.0101 -0.0102 358 GLU D CG 12416 C CD . GLU D 359 ? 0.4415 0.3254 0.3621 -0.0042 0.0068 -0.0104 358 GLU D CD 12417 O OE1 . GLU D 359 ? 0.4652 0.3473 0.3824 -0.0041 0.0068 -0.0113 358 GLU D OE1 12418 O OE2 . GLU D 359 ? 0.4336 0.3319 0.3677 -0.0070 0.0046 -0.0095 358 GLU D OE2 12419 N N . HIS D 360 ? 0.3140 0.2162 0.2517 0.0136 0.0139 -0.0071 359 HIS D N 12420 C CA . HIS D 360 ? 0.2965 0.2178 0.2507 0.0135 0.0125 -0.0063 359 HIS D CA 12421 C C . HIS D 360 ? 0.3054 0.2311 0.2619 0.0105 0.0109 -0.0074 359 HIS D C 12422 O O . HIS D 360 ? 0.3122 0.2477 0.2764 0.0139 0.0121 -0.0066 359 HIS D O 12423 C CB . HIS D 360 ? 0.2792 0.2090 0.2422 0.0086 0.0093 -0.0061 359 HIS D CB 12424 C CG . HIS D 360 ? 0.2606 0.2075 0.2385 0.0092 0.0082 -0.0051 359 HIS D CG 12425 N ND1 . HIS D 360 ? 0.2555 0.2103 0.2400 0.0148 0.0099 -0.0032 359 HIS D ND1 12426 C CD2 . HIS D 360 ? 0.2509 0.2076 0.2374 0.0047 0.0054 -0.0056 359 HIS D CD2 12427 C CE1 . HIS D 360 ? 0.2438 0.2115 0.2393 0.0130 0.0081 -0.0029 359 HIS D CE1 12428 N NE2 . HIS D 360 ? 0.2376 0.2061 0.2342 0.0075 0.0057 -0.0044 359 HIS D NE2 12429 N N . ILE D 361 ? 0.3407 0.2604 0.2915 0.0037 0.0079 -0.0090 360 ILE D N 12430 C CA . ILE D 361 ? 0.3779 0.3007 0.3297 0.0006 0.0060 -0.0098 360 ILE D CA 12431 C C . ILE D 361 ? 0.4047 0.3144 0.3429 0.0031 0.0085 -0.0107 360 ILE D C 12432 O O . ILE D 361 ? 0.3944 0.3087 0.3351 0.0049 0.0093 -0.0107 360 ILE D O 12433 C CB . ILE D 361 ? 0.4398 0.3632 0.3919 -0.0080 0.0012 -0.0104 360 ILE D CB 12434 C CG1 . ILE D 361 ? 0.4478 0.3853 0.4140 -0.0097 -0.0005 -0.0093 360 ILE D CG1 12435 C CG2 . ILE D 361 ? 0.4573 0.3831 0.4094 -0.0109 -0.0011 -0.0109 360 ILE D CG2 12436 C CD1 . ILE D 361 ? 0.4851 0.4247 0.4529 -0.0176 -0.0045 -0.0091 360 ILE D CD1 12437 N N . GLU D 362 ? 0.4101 0.3024 0.3330 0.0034 0.0101 -0.0115 361 GLU D N 12438 C CA . GLU D 362 ? 0.4493 0.3261 0.3563 0.0058 0.0129 -0.0126 361 GLU D CA 12439 C C . GLU D 362 ? 0.4229 0.3044 0.3333 0.0153 0.0184 -0.0114 361 GLU D C 12440 O O . GLU D 362 ? 0.3964 0.2708 0.2981 0.0174 0.0209 -0.0120 361 GLU D O 12441 C CB . GLU D 362 ? 0.5253 0.3806 0.4136 0.0050 0.0141 -0.0136 361 GLU D CB 12442 C CG . GLU D 362 ? 0.6062 0.4554 0.4888 -0.0057 0.0084 -0.0147 361 GLU D CG 12443 C CD . GLU D 362 ? 0.7117 0.5392 0.5754 -0.0080 0.0090 -0.0155 361 GLU D CD 12444 O OE1 . GLU D 362 ? 0.7772 0.5913 0.6297 -0.0004 0.0142 -0.0155 361 GLU D OE1 12445 O OE2 . GLU D 362 ? 0.7944 0.6182 0.6544 -0.0175 0.0041 -0.0158 361 GLU D OE2 12446 N N . MET D 363 ? 0.3878 0.2819 0.3107 0.0205 0.0203 -0.0093 362 MET D N 12447 C CA . MET D 363 ? 0.3876 0.2880 0.3149 0.0292 0.0253 -0.0073 362 MET D CA 12448 C C . MET D 363 ? 0.3692 0.2795 0.3031 0.0284 0.0251 -0.0072 362 MET D C 12449 O O . MET D 363 ? 0.3467 0.2570 0.2785 0.0344 0.0298 -0.0061 362 MET D O 12450 C CB . MET D 363 ? 0.3946 0.3082 0.3350 0.0339 0.0263 -0.0046 362 MET D CB 12451 C CG . MET D 363 ? 0.4137 0.3463 0.3715 0.0304 0.0226 -0.0037 362 MET D CG 12452 S SD . MET D 363 ? 0.4608 0.4074 0.4312 0.0371 0.0245 0.0000 362 MET D SD 12453 C CE . MET D 363 ? 0.4663 0.4004 0.4280 0.0382 0.0246 0.0000 362 MET D CE 12454 N N . LEU D 364 ? 0.3593 0.2772 0.3002 0.0212 0.0200 -0.0083 363 LEU D N 12455 C CA . LEU D 364 ? 0.3782 0.3040 0.3241 0.0197 0.0192 -0.0082 363 LEU D CA 12456 C C . LEU D 364 ? 0.3644 0.2770 0.2958 0.0190 0.0205 -0.0097 363 LEU D C 12457 O O . LEU D 364 ? 0.3765 0.2942 0.3102 0.0198 0.0215 -0.0093 363 LEU D O 12458 C CB . LEU D 364 ? 0.3852 0.3211 0.3411 0.0128 0.0134 -0.0088 363 LEU D CB 12459 C CG . LEU D 364 ? 0.4065 0.3586 0.3783 0.0134 0.0123 -0.0072 363 LEU D CG 12460 C CD1 . LEU D 364 ? 0.4160 0.3754 0.3948 0.0073 0.0074 -0.0078 363 LEU D CD1 12461 C CD2 . LEU D 364 ? 0.3916 0.3536 0.3708 0.0185 0.0155 -0.0051 363 LEU D CD2 12462 N N . ALA D 365 ? 0.3687 0.2636 0.2842 0.0169 0.0203 -0.0114 364 ALA D N 12463 C CA . ALA D 365 ? 0.3999 0.2790 0.2984 0.0155 0.0212 -0.0131 364 ALA D CA 12464 C C . ALA D 365 ? 0.4254 0.2869 0.3075 0.0221 0.0274 -0.0134 364 ALA D C 12465 O O . ALA D 365 ? 0.4804 0.3244 0.3445 0.0212 0.0286 -0.0150 364 ALA D O 12466 C CB . ALA D 365 ? 0.4050 0.2765 0.2963 0.0058 0.0147 -0.0148 364 ALA D CB 12467 N N . ASN D 366 ? 0.4124 0.2780 0.3000 0.0292 0.0313 -0.0116 365 ASN D N 12468 C CA . ASN D 366 ? 0.4242 0.2730 0.2966 0.0364 0.0374 -0.0114 365 ASN D CA 12469 C C . ASN D 366 ? 0.4226 0.2728 0.2934 0.0454 0.0446 -0.0098 365 ASN D C 12470 O O . ASN D 366 ? 0.3882 0.2577 0.2756 0.0486 0.0459 -0.0073 365 ASN D O 12471 C CB . ASN D 366 ? 0.4315 0.2848 0.3111 0.0398 0.0378 -0.0098 365 ASN D CB 12472 C CG . ASN D 366 ? 0.4605 0.2972 0.3257 0.0483 0.0441 -0.0091 365 ASN D CG 12473 O OD1 . ASN D 366 ? 0.4935 0.3292 0.3558 0.0572 0.0507 -0.0074 365 ASN D OD1 12474 N ND2 . ASN D 366 ? 0.4667 0.2906 0.3228 0.0460 0.0425 -0.0100 365 ASN D ND2 12475 N N . ALA D 367 ? 0.4472 0.2761 0.2971 0.0489 0.0493 -0.0110 366 ALA D N 12476 C CA . ALA D 367 ? 0.4559 0.2833 0.3011 0.0572 0.0569 -0.0096 366 ALA D CA 12477 C C . ALA D 367 ? 0.4370 0.2793 0.2958 0.0680 0.0629 -0.0054 366 ALA D C 12478 O O . ALA D 367 ? 0.4254 0.2796 0.2921 0.0730 0.0673 -0.0030 366 ALA D O 12479 C CB . ALA D 367 ? 0.4989 0.2975 0.3163 0.0595 0.0613 -0.0119 366 ALA D CB 12480 N N . THR D 368 ? 0.4407 0.2824 0.3020 0.0713 0.0631 -0.0042 367 THR D N 12481 C CA A THR D 368 ? 0.4323 0.2892 0.3072 0.0812 0.0679 0.0002 367 THR D CA 12482 C CA B THR D 368 ? 0.4237 0.2806 0.2987 0.0811 0.0678 0.0002 367 THR D CA 12483 C C . THR D 368 ? 0.3974 0.2825 0.2974 0.0778 0.0638 0.0026 367 THR D C 12484 O O . THR D 368 ? 0.3793 0.2805 0.2915 0.0840 0.0677 0.0065 367 THR D O 12485 C CB A THR D 368 ? 0.4549 0.3032 0.3252 0.0857 0.0688 0.0011 367 THR D CB 12486 C CB B THR D 368 ? 0.4349 0.2833 0.3055 0.0845 0.0680 0.0008 367 THR D CB 12487 O OG1 A THR D 368 ? 0.4661 0.3155 0.3405 0.0763 0.0609 -0.0008 367 THR D OG1 12488 O OG1 B THR D 368 ? 0.4656 0.2853 0.3107 0.0869 0.0716 -0.0015 367 THR D OG1 12489 C CG2 A THR D 368 ? 0.4895 0.3092 0.3339 0.0909 0.0744 -0.0004 367 THR D CG2 12490 C CG2 B THR D 368 ? 0.4258 0.2898 0.3101 0.0952 0.0726 0.0061 367 THR D CG2 12491 N N . THR D 369 ? 0.3636 0.2544 0.2708 0.0679 0.0559 0.0004 368 THR D N 12492 C CA . THR D 369 ? 0.3400 0.2545 0.2683 0.0639 0.0517 0.0021 368 THR D CA 12493 C C . THR D 369 ? 0.3262 0.2487 0.2583 0.0636 0.0536 0.0028 368 THR D C 12494 O O . THR D 369 ? 0.2982 0.2395 0.2454 0.0658 0.0547 0.0062 368 THR D O 12495 C CB . THR D 369 ? 0.3271 0.2439 0.2601 0.0535 0.0436 -0.0005 368 THR D CB 12496 O OG1 . THR D 369 ? 0.3300 0.2383 0.2584 0.0528 0.0418 -0.0012 368 THR D OG1 12497 C CG2 . THR D 369 ? 0.3193 0.2582 0.2720 0.0504 0.0400 0.0012 368 THR D CG2 12498 N N . LEU D 370 ? 0.3354 0.2434 0.2532 0.0601 0.0535 -0.0001 369 LEU D N 12499 C CA . LEU D 370 ? 0.3380 0.2513 0.2572 0.0589 0.0548 0.0000 369 LEU D CA 12500 C C . LEU D 370 ? 0.3404 0.2569 0.2590 0.0688 0.0636 0.0034 369 LEU D C 12501 O O . LEU D 370 ? 0.3163 0.2476 0.2454 0.0693 0.0651 0.0059 369 LEU D O 12502 C CB . LEU D 370 ? 0.3632 0.2590 0.2658 0.0526 0.0522 -0.0038 369 LEU D CB 12503 C CG . LEU D 370 ? 0.3612 0.2578 0.2673 0.0426 0.0434 -0.0063 369 LEU D CG 12504 C CD1 . LEU D 370 ? 0.3905 0.2690 0.2790 0.0364 0.0405 -0.0096 369 LEU D CD1 12505 C CD2 . LEU D 370 ? 0.3552 0.2723 0.2799 0.0385 0.0392 -0.0050 369 LEU D CD2 12506 N N . ALA D 371 ? 0.3564 0.2591 0.2626 0.0768 0.0695 0.0039 370 ALA D N 12507 C CA . ALA D 371 ? 0.3719 0.2781 0.2778 0.0878 0.0788 0.0078 370 ALA D CA 12508 C C . ALA D 371 ? 0.3530 0.2853 0.2818 0.0916 0.0793 0.0131 370 ALA D C 12509 O O . ALA D 371 ? 0.3529 0.2986 0.2900 0.0963 0.0843 0.0170 370 ALA D O 12510 C CB . ALA D 371 ? 0.3956 0.2802 0.2827 0.0962 0.0850 0.0074 370 ALA D CB 12511 N N . TYR D 372 ? 0.3432 0.2828 0.2819 0.0891 0.0741 0.0135 371 TYR D N 12512 C CA . TYR D 372 ? 0.3315 0.2957 0.2916 0.0909 0.0730 0.0184 371 TYR D CA 12513 C C . TYR D 372 ? 0.3055 0.2874 0.2795 0.0836 0.0691 0.0192 371 TYR D C 12514 O O . TYR D 372 ? 0.2940 0.2939 0.2807 0.0866 0.0719 0.0239 371 TYR D O 12515 C CB . TYR D 372 ? 0.3226 0.2886 0.2881 0.0886 0.0675 0.0182 371 TYR D CB 12516 C CG . TYR D 372 ? 0.3191 0.3076 0.3035 0.0917 0.0669 0.0236 371 TYR D CG 12517 C CD1 . TYR D 372 ? 0.3078 0.3157 0.3085 0.0849 0.0619 0.0251 371 TYR D CD1 12518 C CD2 . TYR D 372 ? 0.3458 0.3357 0.3312 0.1015 0.0713 0.0277 371 TYR D CD2 12519 C CE1 . TYR D 372 ? 0.3014 0.3296 0.3184 0.0868 0.0608 0.0304 371 TYR D CE1 12520 C CE2 . TYR D 372 ? 0.3412 0.3529 0.3443 0.1040 0.0702 0.0333 371 TYR D CE2 12521 C CZ . TYR D 372 ? 0.3246 0.3554 0.3433 0.0962 0.0647 0.0346 371 TYR D CZ 12522 O OH . TYR D 372 ? 0.3146 0.3666 0.3499 0.0977 0.0630 0.0404 371 TYR D OH 12523 N N . LEU D 373 ? 0.2882 0.2651 0.2596 0.0741 0.0627 0.0149 372 LEU D N 12524 C CA . LEU D 373 ? 0.2804 0.2705 0.2623 0.0673 0.0591 0.0153 372 LEU D CA 12525 C C . LEU D 373 ? 0.2813 0.2736 0.2606 0.0701 0.0649 0.0170 372 LEU D C 12526 O O . LEU D 373 ? 0.2652 0.2745 0.2570 0.0685 0.0649 0.0203 372 LEU D O 12527 C CB . LEU D 373 ? 0.2884 0.2701 0.2657 0.0578 0.0519 0.0105 372 LEU D CB 12528 C CG . LEU D 373 ? 0.2853 0.2781 0.2715 0.0507 0.0477 0.0104 372 LEU D CG 12529 C CD1 . LEU D 373 ? 0.2757 0.2878 0.2793 0.0490 0.0449 0.0137 372 LEU D CD1 12530 C CD2 . LEU D 373 ? 0.2950 0.2777 0.2749 0.0431 0.0416 0.0059 372 LEU D CD2 12531 N N . LYS D 374 ? 0.3039 0.2783 0.2660 0.0740 0.0698 0.0150 373 LYS D N 12532 C CA . LYS D 374 ? 0.3282 0.3026 0.2856 0.0773 0.0762 0.0166 373 LYS D CA 12533 C C . LYS D 374 ? 0.3408 0.3336 0.3111 0.0851 0.0826 0.0229 373 LYS D C 12534 O O . LYS D 374 ? 0.3282 0.3335 0.3059 0.0842 0.0848 0.0257 373 LYS D O 12535 C CB . LYS D 374 ? 0.3642 0.3141 0.2988 0.0813 0.0812 0.0135 373 LYS D CB 12536 C CG . LYS D 374 ? 0.3920 0.3392 0.3193 0.0827 0.0867 0.0141 373 LYS D CG 12537 C CD . LYS D 374 ? 0.4352 0.3562 0.3377 0.0867 0.0917 0.0110 373 LYS D CD 12538 C CE . LYS D 374 ? 0.4607 0.3782 0.3550 0.0867 0.0963 0.0112 373 LYS D CE 12539 N NZ . LYS D 374 ? 0.4974 0.3867 0.3651 0.0898 0.1007 0.0078 373 LYS D NZ 12540 N N . ARG D 375 ? 0.3560 0.3505 0.3289 0.0928 0.0855 0.0255 374 ARG D N 12541 C CA A ARG D 375 ? 0.3694 0.3831 0.3559 0.1008 0.0913 0.0323 374 ARG D CA 12542 C CA B ARG D 375 ? 0.3663 0.3803 0.3531 0.1008 0.0912 0.0324 374 ARG D CA 12543 C C . ARG D 375 ? 0.3426 0.3816 0.3506 0.0943 0.0856 0.0359 374 ARG D C 12544 O O . ARG D 375 ? 0.3270 0.3835 0.3462 0.0962 0.0893 0.0410 374 ARG D O 12545 C CB A ARG D 375 ? 0.4018 0.4106 0.3856 0.1101 0.0946 0.0341 374 ARG D CB 12546 C CB B ARG D 375 ? 0.3958 0.4066 0.3815 0.1100 0.0942 0.0345 374 ARG D CB 12547 C CG A ARG D 375 ? 0.4355 0.4651 0.4342 0.1194 0.1003 0.0419 374 ARG D CG 12548 C CG B ARG D 375 ? 0.4181 0.4543 0.4235 0.1158 0.0964 0.0422 374 ARG D CG 12549 C CD A ARG D 375 ? 0.4695 0.5012 0.4648 0.1271 0.1103 0.0453 374 ARG D CD 12550 C CD B ARG D 375 ? 0.4470 0.4807 0.4521 0.1249 0.0986 0.0447 374 ARG D CD 12551 N NE A ARG D 375 ? 0.5010 0.5561 0.5132 0.1355 0.1153 0.0536 374 ARG D NE 12552 N NE B ARG D 375 ? 0.4459 0.5057 0.4724 0.1259 0.0961 0.0513 374 ARG D NE 12553 C CZ A ARG D 375 ? 0.5073 0.5894 0.5406 0.1307 0.1119 0.0586 374 ARG D CZ 12554 C CZ B ARG D 375 ? 0.4440 0.5135 0.4813 0.1172 0.0870 0.0508 374 ARG D CZ 12555 N NH1 A ARG D 375 ? 0.5311 0.6347 0.5795 0.1384 0.1163 0.0667 374 ARG D NH1 12556 N NH1 B ARG D 375 ? 0.4500 0.5422 0.5053 0.1180 0.0846 0.0570 374 ARG D NH1 12557 N NH2 A ARG D 375 ? 0.5111 0.5983 0.5498 0.1180 0.1038 0.0559 374 ARG D NH2 12558 N NH2 B ARG D 375 ? 0.4336 0.4902 0.4635 0.1077 0.0802 0.0442 374 ARG D NH2 12559 N N . VAL D 376 ? 0.3083 0.3486 0.3214 0.0862 0.0769 0.0332 375 VAL D N 12560 C CA . VAL D 376 ? 0.2902 0.3509 0.3207 0.0791 0.0709 0.0359 375 VAL D CA 12561 C C . VAL D 376 ? 0.2943 0.3603 0.3267 0.0727 0.0704 0.0358 375 VAL D C 12562 O O . VAL D 376 ? 0.2805 0.3654 0.3262 0.0710 0.0707 0.0406 375 VAL D O 12563 C CB . VAL D 376 ? 0.2839 0.3412 0.3163 0.0717 0.0621 0.0323 375 VAL D CB 12564 C CG1 . VAL D 376 ? 0.2664 0.3412 0.3135 0.0637 0.0560 0.0345 375 VAL D CG1 12565 C CG2 . VAL D 376 ? 0.2940 0.3488 0.3264 0.0773 0.0622 0.0333 375 VAL D CG2 12566 N N . LEU D 377 ? 0.2887 0.3379 0.3076 0.0690 0.0695 0.0306 376 LEU D N 12567 C CA . LEU D 377 ? 0.2890 0.3408 0.3081 0.0624 0.0681 0.0300 376 LEU D CA 12568 C C . LEU D 377 ? 0.3258 0.3805 0.3421 0.0671 0.0763 0.0331 376 LEU D C 12569 O O . LEU D 377 ? 0.3128 0.3811 0.3378 0.0633 0.0763 0.0363 376 LEU D O 12570 C CB . LEU D 377 ? 0.2896 0.3229 0.2954 0.0566 0.0635 0.0236 376 LEU D CB 12571 C CG . LEU D 377 ? 0.2747 0.3057 0.2835 0.0509 0.0555 0.0205 376 LEU D CG 12572 C CD1 . LEU D 377 ? 0.2802 0.2951 0.2770 0.0454 0.0513 0.0151 376 LEU D CD1 12573 C CD2 . LEU D 377 ? 0.2586 0.3068 0.2828 0.0450 0.0504 0.0230 376 LEU D CD2 12574 N N . LEU D 378 ? 0.3597 0.4011 0.3630 0.0754 0.0833 0.0324 377 LEU D N 12575 C CA . LEU D 378 ? 0.3999 0.4393 0.3963 0.0803 0.0917 0.0343 377 LEU D CA 12576 C C . LEU D 378 ? 0.4270 0.4796 0.4313 0.0908 0.1004 0.0408 377 LEU D C 12577 O O . LEU D 378 ? 0.4281 0.4839 0.4303 0.0952 0.1081 0.0438 377 LEU D O 12578 C CB . LEU D 378 ? 0.4271 0.4400 0.4006 0.0822 0.0943 0.0290 377 LEU D CB 12579 C CG . LEU D 378 ? 0.4540 0.4537 0.4166 0.0732 0.0889 0.0239 377 LEU D CG 12580 C CD1 . LEU D 378 ? 0.4356 0.4429 0.4087 0.0633 0.0788 0.0222 377 LEU D CD1 12581 C CD2 . LEU D 378 ? 0.4823 0.4558 0.4232 0.0747 0.0894 0.0187 377 LEU D CD2 12582 N N . GLY D 379 ? 0.4629 0.5233 0.4761 0.0953 0.0996 0.0433 378 GLY D N 12583 C CA . GLY D 379 ? 0.5419 0.6190 0.5661 0.1051 0.1069 0.0506 378 GLY D CA 12584 C C . GLY D 379 ? 0.6444 0.7052 0.6537 0.1175 0.1159 0.0503 378 GLY D C 12585 O O . GLY D 379 ? 0.6890 0.7245 0.6788 0.1173 0.1156 0.0441 378 GLY D O 12586 N N . PRO D 380 ? 0.7711 0.8460 0.7890 0.1283 0.1240 0.0572 379 PRO D N 12587 C CA . PRO D 380 ? 0.8452 0.9058 0.8502 0.1419 0.1331 0.0580 379 PRO D CA 12588 C C . PRO D 380 ? 0.8962 0.9353 0.8796 0.1462 0.1414 0.0548 379 PRO D C 12589 O O . PRO D 380 ? 0.9027 0.9448 0.8855 0.1407 0.1422 0.0544 379 PRO D O 12590 C CB . PRO D 380 ? 0.8362 0.9235 0.8604 0.1512 0.1391 0.0676 379 PRO D CB 12591 C CG . PRO D 380 ? 0.8114 0.9239 0.8538 0.1428 0.1363 0.0717 379 PRO D CG 12592 C CD . PRO D 380 ? 0.7920 0.8980 0.8326 0.1280 0.1250 0.0653 379 PRO D CD 12593 C C1 . NAG E . ? 0.5090 0.4642 0.4564 -0.0687 -0.0425 -0.0078 401 NAG A C1 12594 C C2 . NAG E . ? 0.5243 0.4862 0.4752 -0.0782 -0.0460 -0.0048 401 NAG A C2 12595 C C3 . NAG E . ? 0.5712 0.5156 0.5059 -0.0867 -0.0510 -0.0057 401 NAG A C3 12596 C C4 . NAG E . ? 0.5941 0.5161 0.5146 -0.0821 -0.0483 -0.0091 401 NAG A C4 12597 C C5 . NAG E . ? 0.5987 0.5180 0.5182 -0.0715 -0.0444 -0.0117 401 NAG A C5 12598 C C6 . NAG E . ? 0.6060 0.5058 0.5124 -0.0653 -0.0411 -0.0146 401 NAG A C6 12599 C C7 . NAG E . ? 0.5246 0.5234 0.5000 -0.0827 -0.0475 0.0017 401 NAG A C7 12600 C C8 . NAG E . ? 0.5381 0.5575 0.5244 -0.0843 -0.0498 0.0052 401 NAG A C8 12601 N N2 . NAG E . ? 0.5139 0.4958 0.4765 -0.0808 -0.0482 -0.0016 401 NAG A N2 12602 O O3 . NAG E . ? 0.5806 0.5299 0.5182 -0.0957 -0.0537 -0.0026 401 NAG A O3 12603 O O4 . NAG E . ? 0.6382 0.5418 0.5416 -0.0894 -0.0532 -0.0102 401 NAG A O4 12604 O O5 . NAG E . ? 0.5402 0.4774 0.4764 -0.0658 -0.0402 -0.0103 401 NAG A O5 12605 O O6 . NAG E . ? 0.6036 0.5049 0.5152 -0.0634 -0.0376 -0.0138 401 NAG A O6 12606 O O7 . NAG E . ? 0.5154 0.5137 0.4934 -0.0828 -0.0449 0.0024 401 NAG A O7 12607 C C1 . NAG F . ? 0.3717 0.3945 0.3669 0.0091 0.0236 0.0183 402 NAG A C1 12608 C C2 . NAG F . ? 0.4157 0.4365 0.4043 0.0132 0.0256 0.0193 402 NAG A C2 12609 C C3 . NAG F . ? 0.4396 0.4569 0.4225 0.0189 0.0263 0.0168 402 NAG A C3 12610 C C4 . NAG F . ? 0.4535 0.4635 0.4356 0.0181 0.0228 0.0122 402 NAG A C4 12611 C C5 . NAG F . ? 0.4553 0.4687 0.4449 0.0142 0.0214 0.0118 402 NAG A C5 12612 C C6 . NAG F . ? 0.4618 0.4687 0.4507 0.0134 0.0182 0.0077 402 NAG A C6 12613 C C7 . NAG F . ? 0.4374 0.4674 0.4266 0.0109 0.0297 0.0273 402 NAG A C7 12614 C C8 . NAG F . ? 0.4136 0.4346 0.3995 0.0084 0.0272 0.0257 402 NAG A C8 12615 N N2 . NAG F . ? 0.4034 0.4327 0.3935 0.0133 0.0289 0.0242 402 NAG A N2 12616 O O3 . NAG F . ? 0.4528 0.4663 0.4284 0.0222 0.0274 0.0172 402 NAG A O3 12617 O O4 . NAG F . ? 0.4895 0.4950 0.4654 0.0225 0.0232 0.0101 402 NAG A O4 12618 O O5 . NAG F . ? 0.3924 0.4083 0.3861 0.0097 0.0210 0.0140 402 NAG A O5 12619 O O6 . NAG F . ? 0.4920 0.5011 0.4872 0.0097 0.0168 0.0073 402 NAG A O6 12620 O O7 . NAG F . ? 0.5717 0.6104 0.5626 0.0109 0.0327 0.0319 402 NAG A O7 12621 C C1 A NAG G . ? 0.3701 0.2679 0.2793 0.0232 0.0080 0.0252 403 NAG A C1 12622 C C1 B NAG G . ? 0.3432 0.2595 0.2656 0.0166 0.0092 0.0250 403 NAG A C1 12623 C C2 A NAG G . ? 0.3803 0.2728 0.2814 0.0291 0.0080 0.0272 403 NAG A C2 12624 C C2 B NAG G . ? 0.3688 0.2704 0.2806 0.0150 0.0098 0.0278 403 NAG A C2 12625 C C3 A NAG G . ? 0.3899 0.2643 0.2780 0.0300 0.0085 0.0293 403 NAG A C3 12626 C C3 B NAG G . ? 0.3733 0.2729 0.2810 0.0124 0.0114 0.0313 403 NAG A C3 12627 C C4 A NAG G . ? 0.3996 0.2660 0.2848 0.0211 0.0093 0.0308 403 NAG A C4 12628 C C4 B NAG G . ? 0.3647 0.2728 0.2744 0.0168 0.0117 0.0313 403 NAG A C4 12629 C C5 A NAG G . ? 0.3933 0.2673 0.2878 0.0159 0.0089 0.0285 403 NAG A C5 12630 C C5 B NAG G . ? 0.3505 0.2719 0.2701 0.0178 0.0109 0.0281 403 NAG A C5 12631 C C6 A NAG G . ? 0.4102 0.2782 0.3025 0.0067 0.0093 0.0306 403 NAG A C6 12632 C C6 B NAG G . ? 0.3516 0.2793 0.2712 0.0223 0.0104 0.0277 403 NAG A C6 12633 C C7 A NAG G . ? 0.3830 0.2937 0.2912 0.0387 0.0058 0.0256 403 NAG A C7 12634 C C7 B NAG G . ? 0.4051 0.2918 0.3116 0.0117 0.0087 0.0262 403 NAG A C7 12635 C C8 A NAG G . ? 0.3831 0.3023 0.2947 0.0451 0.0040 0.0244 403 NAG A C8 12636 C C8 B NAG G . ? 0.4204 0.2996 0.3248 0.0051 0.0082 0.0263 403 NAG A C8 12637 N N2 A NAG G . ? 0.3826 0.2829 0.2868 0.0362 0.0067 0.0257 403 NAG A N2 12638 N N2 B NAG G . ? 0.3827 0.2778 0.2936 0.0095 0.0097 0.0278 403 NAG A N2 12639 O O3 A NAG G . ? 0.3930 0.2627 0.2734 0.0349 0.0087 0.0316 403 NAG A O3 12640 O O3 B NAG G . ? 0.3922 0.2768 0.2884 0.0128 0.0115 0.0338 403 NAG A O3 12641 O O4 A NAG G . ? 0.4126 0.2603 0.2846 0.0208 0.0093 0.0324 403 NAG A O4 12642 O O4 B NAG G . ? 0.3748 0.2832 0.2821 0.0138 0.0136 0.0345 403 NAG A O4 12643 O O5 A NAG G . ? 0.3820 0.2726 0.2879 0.0161 0.0090 0.0272 403 NAG A O5 12644 O O5 B NAG G . ? 0.3384 0.2606 0.2610 0.0202 0.0092 0.0253 403 NAG A O5 12645 O O6 A NAG G . ? 0.3969 0.2754 0.2994 0.0018 0.0091 0.0289 403 NAG A O6 12646 O O6 B NAG G . ? 0.3482 0.2792 0.2696 0.0271 0.0081 0.0252 403 NAG A O6 12647 O O7 A NAG G . ? 0.3798 0.2937 0.2889 0.0362 0.0064 0.0265 403 NAG A O7 12648 O O7 B NAG G . ? 0.4206 0.3063 0.3248 0.0188 0.0080 0.0250 403 NAG A O7 12649 C C1 . NAG H . ? 0.4983 0.3346 0.3661 -0.0722 -0.0400 -0.0135 404 NAG A C1 12650 C C2 . NAG H . ? 0.5374 0.3486 0.3864 -0.0689 -0.0396 -0.0155 404 NAG A C2 12651 C C3 . NAG H . ? 0.5579 0.3535 0.3935 -0.0804 -0.0449 -0.0141 404 NAG A C3 12652 C C4 . NAG H . ? 0.5434 0.3568 0.3941 -0.0887 -0.0459 -0.0098 404 NAG A C4 12653 C C5 . NAG H . ? 0.5225 0.3615 0.3916 -0.0909 -0.0462 -0.0080 404 NAG A C5 12654 C C6 . NAG H . ? 0.4995 0.3576 0.3833 -0.0990 -0.0472 -0.0032 404 NAG A C6 12655 C C7 . NAG H . ? 0.6269 0.4166 0.4578 -0.0501 -0.0341 -0.0208 404 NAG A C7 12656 C C8 . NAG H . ? 0.6554 0.4333 0.4739 -0.0418 -0.0327 -0.0240 404 NAG A C8 12657 N N2 . NAG H . ? 0.5730 0.3715 0.4099 -0.0611 -0.0384 -0.0190 404 NAG A N2 12658 O O3 . NAG H . ? 0.5774 0.3501 0.3962 -0.0765 -0.0439 -0.0156 404 NAG A O3 12659 O O4 . NAG H . ? 0.5768 0.3770 0.4155 -0.1007 -0.0512 -0.0080 404 NAG A O4 12660 O O5 . NAG H . ? 0.4615 0.3117 0.3412 -0.0794 -0.0409 -0.0097 404 NAG A O5 12661 O O6 . NAG H . ? 0.5423 0.4034 0.4321 -0.0936 -0.0429 -0.0025 404 NAG A O6 12662 O O7 . NAG H . ? 0.6535 0.4451 0.4887 -0.0465 -0.0312 -0.0198 404 NAG A O7 12663 N N1 . EPE I . ? 0.4157 0.5950 0.4992 0.0067 0.0235 0.0421 405 EPE A N1 12664 C C2 . EPE I . ? 0.4285 0.6011 0.5118 -0.0032 0.0212 0.0413 405 EPE A C2 12665 C C3 . EPE I . ? 0.4412 0.6079 0.5202 -0.0006 0.0244 0.0407 405 EPE A C3 12666 N N4 . EPE I . ? 0.4700 0.6543 0.5535 0.0031 0.0281 0.0465 405 EPE A N4 12667 C C5 . EPE I . ? 0.4436 0.6365 0.5277 0.0131 0.0306 0.0479 405 EPE A C5 12668 C C6 . EPE I . ? 0.4291 0.6266 0.5171 0.0114 0.0273 0.0480 405 EPE A C6 12669 C C7 . EPE I . ? 0.5228 0.7005 0.6014 0.0055 0.0311 0.0458 405 EPE A C7 12670 C C8 . EPE I . ? 0.5854 0.7663 0.6671 -0.0044 0.0299 0.0488 405 EPE A C8 12671 O O8 . EPE I . ? 0.6618 0.8633 0.7500 -0.0039 0.0326 0.0558 405 EPE A O8 12672 C C9 . EPE I . ? 0.3940 0.5778 0.4810 0.0042 0.0202 0.0424 405 EPE A C9 12673 C C10 . EPE I . ? 0.3995 0.5832 0.4839 0.0144 0.0219 0.0414 405 EPE A C10 12674 S S . EPE I . ? 0.3875 0.5787 0.4765 0.0114 0.0181 0.0426 405 EPE A S 12675 O O1S . EPE I . ? 0.4054 0.6193 0.5037 0.0076 0.0176 0.0494 405 EPE A O1S 12676 O O2S . EPE I . ? 0.3944 0.5831 0.4793 0.0220 0.0202 0.0414 405 EPE A O2S 12677 O O3S . EPE I . ? 0.3693 0.5463 0.4556 0.0031 0.0139 0.0383 405 EPE A O3S 12678 CL CL . CL J . ? 0.4069 0.6538 0.5136 -0.0402 -0.0085 0.0691 406 CL A CL 12679 P P . PO4 K . ? 0.4768 0.7035 0.5677 0.0149 0.0244 0.0668 407 PO4 A P 12680 O O1 . PO4 K . ? 0.3091 0.5312 0.4022 0.0027 0.0186 0.0646 407 PO4 A O1 12681 O O2 . PO4 K . ? 0.4519 0.6952 0.5482 0.0138 0.0268 0.0733 407 PO4 A O2 12682 O O3 . PO4 K . ? 0.4453 0.6848 0.5382 0.0238 0.0263 0.0703 407 PO4 A O3 12683 O O4 . PO4 K . ? 0.4514 0.6549 0.5325 0.0197 0.0263 0.0599 407 PO4 A O4 12684 C C1 . MPD L . ? 0.5271 0.5270 0.5383 0.0110 0.0050 -0.0065 408 MPD A C1 12685 C C2 . MPD L . ? 0.5485 0.5455 0.5551 0.0158 0.0056 -0.0056 408 MPD A C2 12686 O O2 . MPD L . ? 0.5388 0.5447 0.5491 0.0189 0.0062 -0.0044 408 MPD A O2 12687 C CM . MPD L . ? 0.5539 0.5496 0.5597 0.0155 0.0049 -0.0050 408 MPD A CM 12688 C C3 . MPD L . ? 0.5467 0.5335 0.5452 0.0178 0.0061 -0.0063 408 MPD A C3 12689 C C4 . MPD L . ? 0.5780 0.5591 0.5695 0.0234 0.0069 -0.0055 408 MPD A C4 12690 O O4 . MPD L . ? 0.5820 0.5564 0.5698 0.0218 0.0061 -0.0054 408 MPD A O4 12691 C C5 . MPD L . ? 0.5968 0.5682 0.5793 0.0268 0.0078 -0.0062 408 MPD A C5 12692 C C1 . MPD M . ? 0.5527 0.5312 0.5509 0.0055 0.0034 -0.0053 409 MPD A C1 12693 C C2 . MPD M . ? 0.5524 0.5355 0.5552 0.0029 0.0033 -0.0062 409 MPD A C2 12694 O O2 . MPD M . ? 0.5719 0.5633 0.5810 0.0026 0.0034 -0.0062 409 MPD A O2 12695 C CM . MPD M . ? 0.5161 0.4978 0.5170 0.0054 0.0036 -0.0069 409 MPD A CM 12696 C C3 . MPD M . ? 0.5400 0.5201 0.5417 -0.0016 0.0027 -0.0058 409 MPD A C3 12697 C C4 . MPD M . ? 0.5340 0.5187 0.5398 -0.0039 0.0025 -0.0063 409 MPD A C4 12698 O O4 . MPD M . ? 0.5520 0.5359 0.5568 -0.0020 0.0027 -0.0074 409 MPD A O4 12699 C C5 . MPD M . ? 0.5086 0.4911 0.5130 -0.0085 0.0016 -0.0055 409 MPD A C5 12700 C C1 . MPD N . ? 0.6981 0.6762 0.6808 0.0292 0.0111 -0.0084 410 MPD A C1 12701 C C2 . MPD N . ? 0.7191 0.6925 0.6947 0.0335 0.0126 -0.0088 410 MPD A C2 12702 O O2 . MPD N . ? 0.7087 0.6669 0.6713 0.0366 0.0124 -0.0099 410 MPD A O2 12703 C CM . MPD N . ? 0.7255 0.6982 0.7023 0.0286 0.0115 -0.0101 410 MPD A CM 12704 C C3 . MPD N . ? 0.7140 0.6986 0.6935 0.0395 0.0153 -0.0065 410 MPD A C3 12705 C C4 . MPD N . ? 0.7517 0.7382 0.7295 0.0456 0.0166 -0.0048 410 MPD A C4 12706 O O4 . MPD N . ? 0.7517 0.7234 0.7158 0.0509 0.0173 -0.0057 410 MPD A O4 12707 C C5 . MPD N . ? 0.7490 0.7507 0.7334 0.0505 0.0190 -0.0017 410 MPD A C5 12708 C C1 . MPD O . ? 0.8067 0.8055 0.8028 0.0336 0.0115 -0.0038 411 MPD A C1 12709 C C2 . MPD O . ? 0.7977 0.8086 0.7986 0.0381 0.0125 -0.0011 411 MPD A C2 12710 O O2 . MPD O . ? 0.8985 0.9025 0.8914 0.0444 0.0134 -0.0004 411 MPD A O2 12711 C CM . MPD O . ? 0.7960 0.8165 0.8004 0.0408 0.0143 0.0005 411 MPD A CM 12712 C C3 . MPD O . ? 0.7602 0.7796 0.7691 0.0338 0.0107 -0.0003 411 MPD A C3 12713 C C4 . MPD O . ? 0.7506 0.7719 0.7651 0.0264 0.0091 -0.0016 411 MPD A C4 12714 O O4 . MPD O . ? 0.7203 0.7469 0.7396 0.0232 0.0075 -0.0010 411 MPD A O4 12715 C C5 . MPD O . ? 0.7225 0.7518 0.7422 0.0249 0.0098 -0.0009 411 MPD A C5 12716 C C1 . MPD P . ? 0.6755 0.5447 0.6291 0.0707 -0.0613 -0.0383 412 MPD A C1 12717 C C2 . MPD P . ? 0.6430 0.5380 0.6195 0.0668 -0.0579 -0.0396 412 MPD A C2 12718 O O2 . MPD P . ? 0.6127 0.5126 0.5898 0.0558 -0.0489 -0.0348 412 MPD A O2 12719 C CM . MPD P . ? 0.6672 0.5624 0.6433 0.0698 -0.0635 -0.0397 412 MPD A CM 12720 C C3 . MPD P . ? 0.6325 0.5466 0.6303 0.0717 -0.0585 -0.0465 412 MPD A C3 12721 C C4 . MPD P . ? 0.6302 0.5497 0.6331 0.0675 -0.0514 -0.0470 412 MPD A C4 12722 O O4 . MPD P . ? 0.6073 0.5314 0.6101 0.0567 -0.0430 -0.0418 412 MPD A O4 12723 C C5 . MPD P . ? 0.6099 0.5502 0.6353 0.0712 -0.0507 -0.0542 412 MPD A C5 12724 C C1 . NAG Q . ? 0.6124 0.5543 0.5621 -0.0890 0.1203 -0.0444 401 NAG B C1 12725 C C2 . NAG Q . ? 0.6335 0.5922 0.5997 -0.0988 0.1316 -0.0542 401 NAG B C2 12726 C C3 . NAG Q . ? 0.6967 0.6332 0.6424 -0.1113 0.1458 -0.0564 401 NAG B C3 12727 C C4 . NAG Q . ? 0.7173 0.6234 0.6359 -0.1128 0.1424 -0.0490 401 NAG B C4 12728 C C5 . NAG Q . ? 0.7174 0.6104 0.6225 -0.1012 0.1301 -0.0400 401 NAG B C5 12729 C C6 . NAG Q . ? 0.7376 0.5998 0.6149 -0.1004 0.1252 -0.0329 401 NAG B C6 12730 C C7 . NAG Q . ? 0.6267 0.6386 0.6415 -0.0929 0.1309 -0.0669 401 NAG B C7 12731 C C8 . NAG Q . ? 0.6358 0.6690 0.6688 -0.0875 0.1317 -0.0726 401 NAG B C8 12732 N N2 . NAG Q . ? 0.6351 0.6179 0.6223 -0.0948 0.1330 -0.0600 401 NAG B N2 12733 O O3 . NAG Q . ? 0.6804 0.6339 0.6434 -0.1213 0.1560 -0.0662 401 NAG B O3 12734 O O4 . NAG Q . ? 0.7949 0.6759 0.6898 -0.1235 0.1553 -0.0503 401 NAG B O4 12735 O O5 . NAG Q . ? 0.6450 0.5615 0.5723 -0.0915 0.1185 -0.0390 401 NAG B O5 12736 O O6 . NAG Q . ? 0.7504 0.6178 0.6350 -0.1019 0.1217 -0.0333 401 NAG B O6 12737 O O7 . NAG Q . ? 0.5957 0.6169 0.6207 -0.0950 0.1279 -0.0690 401 NAG B O7 12738 C C1 . NAG R . ? 0.4896 0.4305 0.4709 0.0119 -0.0508 -0.0231 402 NAG B C1 12739 C C2 . NAG R . ? 0.5311 0.4592 0.4985 0.0147 -0.0573 -0.0240 402 NAG B C2 12740 C C3 . NAG R . ? 0.5643 0.4783 0.5154 0.0188 -0.0598 -0.0208 402 NAG B C3 12741 C C4 . NAG R . ? 0.5624 0.4732 0.5074 0.0164 -0.0505 -0.0148 402 NAG B C4 12742 C C5 . NAG R . ? 0.5299 0.4553 0.4905 0.0137 -0.0449 -0.0144 402 NAG B C5 12743 C C6 . NAG R . ? 0.5481 0.4717 0.5038 0.0113 -0.0361 -0.0094 402 NAG B C6 12744 C C7 . NAG R . ? 0.5621 0.4946 0.5378 0.0150 -0.0690 -0.0344 402 NAG B C7 12745 C C8 . NAG R . ? 0.5326 0.4582 0.4994 0.0112 -0.0630 -0.0312 402 NAG B C8 12746 N N2 . NAG R . ? 0.5296 0.4624 0.5048 0.0166 -0.0662 -0.0309 402 NAG B N2 12747 O O3 . NAG R . ? 0.6133 0.5129 0.5483 0.0210 -0.0645 -0.0209 402 NAG B O3 12748 O O4 . NAG R . ? 0.5751 0.4734 0.5064 0.0194 -0.0526 -0.0128 402 NAG B O4 12749 O O5 . NAG R . ? 0.4744 0.4106 0.4477 0.0108 -0.0435 -0.0172 402 NAG B O5 12750 O O6 . NAG R . ? 0.5486 0.4844 0.5171 0.0093 -0.0315 -0.0089 402 NAG B O6 12751 O O7 . NAG R . ? 0.6804 0.6185 0.6644 0.0168 -0.0772 -0.0412 402 NAG B O7 12752 C C1 A NAG S . ? 0.4698 0.2978 0.3411 -0.0153 0.0052 -0.0150 403 NAG B C1 12753 C C1 B NAG S . ? 0.4615 0.2750 0.3146 -0.0074 0.0062 -0.0121 403 NAG B C1 12754 C C2 A NAG S . ? 0.4803 0.3072 0.3533 -0.0207 0.0011 -0.0197 403 NAG B C2 12755 C C2 B NAG S . ? 0.4629 0.2631 0.3022 -0.0057 0.0059 -0.0127 403 NAG B C2 12756 C C3 A NAG S . ? 0.4878 0.3076 0.3589 -0.0288 0.0041 -0.0235 403 NAG B C3 12757 C C3 B NAG S . ? 0.4849 0.2690 0.3122 -0.0098 0.0085 -0.0145 403 NAG B C3 12758 C C4 A NAG S . ? 0.4777 0.3050 0.3586 -0.0331 0.0077 -0.0244 403 NAG B C4 12759 C C4 B NAG S . ? 0.4869 0.2746 0.3225 -0.0191 0.0080 -0.0183 403 NAG B C4 12760 C C5 A NAG S . ? 0.4650 0.2901 0.3403 -0.0265 0.0111 -0.0188 403 NAG B C5 12761 C C5 B NAG S . ? 0.4859 0.2859 0.3338 -0.0199 0.0095 -0.0172 403 NAG B C5 12762 C C6 A NAG S . ? 0.4539 0.2848 0.3366 -0.0300 0.0149 -0.0190 403 NAG B C6 12763 C C6 B NAG S . ? 0.4848 0.2905 0.3431 -0.0294 0.0097 -0.0220 403 NAG B C6 12764 C C7 A NAG S . ? 0.5077 0.3296 0.3721 -0.0165 -0.0066 -0.0207 403 NAG B C7 12765 C C7 B NAG S . ? 0.4513 0.2485 0.2803 0.0060 0.0071 -0.0094 403 NAG B C7 12766 C C8 A NAG S . ? 0.4934 0.3305 0.3735 -0.0182 -0.0109 -0.0227 403 NAG B C8 12767 C C8 B NAG S . ? 0.4385 0.2387 0.2705 0.0025 0.0025 -0.0113 403 NAG B C8 12768 N N2 A NAG S . ? 0.4985 0.3159 0.3600 -0.0175 -0.0009 -0.0193 403 NAG B N2 12769 N N2 B NAG S . ? 0.4649 0.2616 0.2968 0.0023 0.0082 -0.0098 403 NAG B N2 12770 O O3 A NAG S . ? 0.5037 0.3250 0.3789 -0.0341 -0.0002 -0.0290 403 NAG B O3 12771 O O3 B NAG S . ? 0.4838 0.2559 0.2988 -0.0089 0.0075 -0.0156 403 NAG B O3 12772 O O4 A NAG S . ? 0.5013 0.3193 0.3777 -0.0413 0.0122 -0.0280 403 NAG B O4 12773 O O4 B NAG S . ? 0.4999 0.2712 0.3229 -0.0236 0.0116 -0.0200 403 NAG B O4 12774 O O5 A NAG S . ? 0.4553 0.2899 0.3356 -0.0196 0.0073 -0.0160 403 NAG B O5 12775 O O5 B NAG S . ? 0.4636 0.2783 0.3225 -0.0155 0.0060 -0.0156 403 NAG B O5 12776 O O6 A NAG S . ? 0.4282 0.2764 0.3290 -0.0327 0.0115 -0.0219 403 NAG B O6 12777 O O6 B NAG S . ? 0.4922 0.3039 0.3572 -0.0321 0.0040 -0.0259 403 NAG B O6 12778 O O7 A NAG S . ? 0.5220 0.3352 0.3759 -0.0141 -0.0084 -0.0206 403 NAG B O7 12779 O O7 B NAG S . ? 0.4890 0.2843 0.3131 0.0125 0.0099 -0.0079 403 NAG B O7 12780 C C1 . NAG T . ? 0.6068 0.3623 0.3802 -0.0452 0.1000 -0.0102 404 NAG B C1 12781 C C2 . NAG T . ? 0.6518 0.3824 0.3996 -0.0432 0.0995 -0.0070 404 NAG B C2 12782 C C3 . NAG T . ? 0.6917 0.4048 0.4272 -0.0559 0.1145 -0.0103 404 NAG B C3 12783 C C4 . NAG T . ? 0.6735 0.4136 0.4424 -0.0652 0.1201 -0.0158 404 NAG B C4 12784 C C5 . NAG T . ? 0.6398 0.4091 0.4381 -0.0644 0.1175 -0.0188 404 NAG B C5 12785 C C6 . NAG T . ? 0.6181 0.4149 0.4498 -0.0698 0.1183 -0.0235 404 NAG B C6 12786 C C7 . NAG T . ? 0.7753 0.4688 0.4765 -0.0251 0.0852 0.0005 404 NAG B C7 12787 C C8 . NAG T . ? 0.8219 0.4916 0.4928 -0.0155 0.0789 0.0034 404 NAG B C8 12788 N N2 . NAG T . ? 0.7135 0.4209 0.4319 -0.0344 0.0939 -0.0032 404 NAG B N2 12789 O O3 . NAG T . ? 0.6950 0.3860 0.4087 -0.0545 0.1140 -0.0076 404 NAG B O3 12790 O O4 . NAG T . ? 0.6926 0.4195 0.4532 -0.0782 0.1352 -0.0204 404 NAG B O4 12791 O O5 . NAG T . ? 0.5884 0.3671 0.3909 -0.0525 0.1041 -0.0145 404 NAG B O5 12792 O O6 . NAG T . ? 0.6856 0.5017 0.5383 -0.0728 0.1213 -0.0282 404 NAG B O6 12793 O O7 . NAG T . ? 0.8141 0.5132 0.5230 -0.0238 0.0821 0.0013 404 NAG B O7 12794 N N1 . EPE U . ? 0.6786 0.9572 0.9048 0.0689 -0.0703 -0.1470 405 EPE B N1 12795 C C2 . EPE U . ? 0.6736 0.9562 0.9063 0.0543 -0.0632 -0.1477 405 EPE B C2 12796 C C3 . EPE U . ? 0.7082 0.9866 0.9339 0.0579 -0.0736 -0.1486 405 EPE B C3 12797 N N4 . EPE U . ? 0.7204 1.0176 0.9599 0.0696 -0.0868 -0.1615 405 EPE B N4 12798 C C5 . EPE U . ? 0.7111 1.0063 0.9461 0.0843 -0.0935 -0.1619 405 EPE B C5 12799 C C6 . EPE U . ? 0.6951 0.9956 0.9386 0.0797 -0.0820 -0.1610 405 EPE B C6 12800 C C7 . EPE U . ? 0.8062 1.0943 1.0332 0.0752 -0.0983 -0.1609 405 EPE B C7 12801 C C8 . EPE U . ? 0.8126 1.0955 1.0370 0.0616 -0.0923 -0.1576 405 EPE B C8 12802 O O8 . EPE U . ? 0.8533 1.1577 1.1022 0.0485 -0.0829 -0.1664 405 EPE B O8 12803 C C9 . EPE U . ? 0.6536 0.9340 0.8845 0.0649 -0.0597 -0.1453 405 EPE B C9 12804 C C10 . EPE U . ? 0.6581 0.9250 0.8740 0.0780 -0.0648 -0.1399 405 EPE B C10 12805 S S . EPE U . ? 0.6581 0.9338 0.8850 0.0756 -0.0548 -0.1424 405 EPE B S 12806 O O1S . EPE U . ? 0.6551 0.9614 0.9116 0.0746 -0.0536 -0.1580 405 EPE B O1S 12807 O O2S . EPE U . ? 0.6509 0.9144 0.8641 0.0894 -0.0610 -0.1386 405 EPE B O2S 12808 O O3S . EPE U . ? 0.6110 0.8757 0.8315 0.0611 -0.0410 -0.1338 405 EPE B O3S 12809 CL CL . CL V . ? 0.4022 0.5282 0.6130 0.0020 0.0307 -0.1085 406 CL B CL 12810 P P . PO4 W . ? 0.3365 0.4340 0.5205 0.0485 -0.0456 -0.0970 407 PO4 B P 12811 O O1 . PO4 W . ? 0.3019 0.4050 0.4901 0.0386 -0.0319 -0.0959 407 PO4 B O1 12812 O O2 . PO4 W . ? 0.3447 0.4568 0.5465 0.0507 -0.0514 -0.1068 407 PO4 B O2 12813 O O3 . PO4 W . ? 0.3494 0.4433 0.5323 0.0582 -0.0518 -0.1000 407 PO4 B O3 12814 O O4 . PO4 W . ? 0.3417 0.4214 0.5037 0.0472 -0.0482 -0.0862 407 PO4 B O4 12815 C C1 . MPD X . ? 0.5326 0.5264 0.5223 0.0320 -0.0049 -0.0061 408 MPD B C1 12816 C C2 . MPD X . ? 0.5547 0.5419 0.5365 0.0378 -0.0062 -0.0064 408 MPD B C2 12817 O O2 . MPD X . ? 0.4614 0.4589 0.4498 0.0434 -0.0093 -0.0104 408 MPD B O2 12818 C CM . MPD X . ? 0.5512 0.5362 0.5335 0.0348 -0.0030 -0.0050 408 MPD B CM 12819 C C3 . MPD X . ? 0.5932 0.5653 0.5597 0.0406 -0.0073 -0.0047 408 MPD B C3 12820 C C4 . MPD X . ? 0.6656 0.6271 0.6204 0.0470 -0.0089 -0.0047 408 MPD B C4 12821 O O4 . MPD X . ? 0.6931 0.6413 0.6382 0.0428 -0.0051 -0.0018 408 MPD B O4 12822 C C5 . MPD X . ? 0.7152 0.6683 0.6582 0.0545 -0.0136 -0.0059 408 MPD B C5 12823 C C1 . MPD Y . ? 0.6984 0.6646 0.6700 0.0227 0.0024 0.0001 409 MPD B C1 12824 C C2 . MPD Y . ? 0.6838 0.6549 0.6635 0.0176 0.0040 0.0004 409 MPD B C2 12825 O O2 . MPD Y . ? 0.7040 0.6705 0.6800 0.0181 0.0045 0.0008 409 MPD B O2 12826 C CM . MPD Y . ? 0.6825 0.6651 0.6726 0.0170 0.0030 -0.0005 409 MPD B CM 12827 C C3 . MPD Y . ? 0.7052 0.6729 0.6853 0.0123 0.0062 0.0007 409 MPD B C3 12828 C C4 . MPD Y . ? 0.7024 0.6763 0.6889 0.0104 0.0061 0.0000 409 MPD B C4 12829 O O4 . MPD Y . ? 0.6849 0.6598 0.6687 0.0141 0.0045 -0.0001 409 MPD B O4 12830 C C5 . MPD Y . ? 0.6750 0.6448 0.6609 0.0059 0.0090 -0.0004 409 MPD B C5 12831 C C1 . NAG Z . ? 0.5510 0.5087 0.5333 0.0779 -0.1043 -0.0236 401 NAG C C1 12832 C C2 . NAG Z . ? 0.5801 0.5498 0.5781 0.0858 -0.1128 -0.0306 401 NAG C C2 12833 C C3 . NAG Z . ? 0.6391 0.5912 0.6222 0.0940 -0.1254 -0.0311 401 NAG C C3 12834 C C4 . NAG Z . ? 0.6564 0.5848 0.6178 0.0944 -0.1242 -0.0252 401 NAG C C4 12835 C C5 . NAG Z . ? 0.6574 0.5772 0.6066 0.0850 -0.1127 -0.0185 401 NAG C C5 12836 C C6 . NAG Z . ? 0.6780 0.5826 0.6153 0.0852 -0.1098 -0.0148 401 NAG C C6 12837 C C7 . NAG Z . ? 0.5546 0.5654 0.5928 0.0851 -0.1117 -0.0419 401 NAG C C7 12838 C C8 . NAG Z . ? 0.5638 0.5931 0.6180 0.0824 -0.1120 -0.0473 401 NAG C C8 12839 N N2 . NAG Z . ? 0.5656 0.5553 0.5815 0.0845 -0.1136 -0.0360 401 NAG C N2 12840 O O3 . NAG Z . ? 0.6359 0.5995 0.6347 0.1022 -0.1336 -0.0382 401 NAG C O3 12841 O O4 . NAG Z . ? 0.6947 0.6028 0.6370 0.1002 -0.1352 -0.0243 401 NAG C O4 12842 O O5 . NAG Z . ? 0.5960 0.5352 0.5619 0.0784 -0.1028 -0.0190 401 NAG C O5 12843 O O6 . NAG Z . ? 0.7590 0.6489 0.6789 0.0779 -0.1022 -0.0088 401 NAG C O6 12844 O O7 . NAG Z . ? 0.5436 0.5589 0.5893 0.0873 -0.1094 -0.0434 401 NAG C O7 12845 C C1 . NAG AA . ? 0.4398 0.4246 0.4454 -0.0072 0.0499 -0.0218 402 NAG C C1 12846 C C2 . NAG AA . ? 0.4854 0.4606 0.4781 -0.0104 0.0549 -0.0231 402 NAG C C2 12847 C C3 . NAG AA . ? 0.5191 0.4828 0.4962 -0.0143 0.0560 -0.0201 402 NAG C C3 12848 C C4 . NAG AA . ? 0.5276 0.4883 0.5002 -0.0115 0.0476 -0.0149 402 NAG C C4 12849 C C5 . NAG AA . ? 0.5167 0.4882 0.5036 -0.0083 0.0434 -0.0141 402 NAG C C5 12850 C C6 . NAG AA . ? 0.5402 0.5098 0.5236 -0.0055 0.0356 -0.0098 402 NAG C C6 12851 C C7 . NAG AA . ? 0.5235 0.5029 0.5227 -0.0117 0.0656 -0.0324 402 NAG C C7 12852 C C8 . NAG AA . ? 0.5347 0.5195 0.5413 -0.0145 0.0746 -0.0392 402 NAG C C8 12853 N N2 . NAG AA . ? 0.4771 0.4562 0.4754 -0.0127 0.0629 -0.0289 402 NAG C N2 12854 O O3 . NAG AA . ? 0.5422 0.4953 0.5050 -0.0174 0.0601 -0.0210 402 NAG C O3 12855 O O4 . NAG AA . ? 0.5727 0.5225 0.5317 -0.0143 0.0479 -0.0124 402 NAG C O4 12856 O O5 . NAG AA . ? 0.4441 0.4250 0.4437 -0.0055 0.0433 -0.0169 402 NAG C O5 12857 O O6 . NAG AA . ? 0.5581 0.5366 0.5531 -0.0029 0.0320 -0.0091 402 NAG C O6 12858 O O7 . NAG AA . ? 0.5310 0.5069 0.5259 -0.0090 0.0616 -0.0310 402 NAG C O7 12859 C C1 A NAG BA . ? 0.4009 0.3101 0.3521 0.0100 0.0115 -0.0270 403 NAG C C1 12860 C C1 B NAG BA . ? 0.4024 0.3207 0.3666 0.0157 0.0129 -0.0279 403 NAG C C1 12861 C C2 A NAG BA . ? 0.4018 0.3022 0.3431 0.0078 0.0123 -0.0292 403 NAG C C2 12862 C C2 B NAG BA . ? 0.4104 0.3271 0.3749 0.0183 0.0173 -0.0327 403 NAG C C2 12863 C C3 A NAG BA . ? 0.4211 0.3108 0.3583 0.0102 0.0112 -0.0313 403 NAG C C3 12864 C C3 B NAG BA . ? 0.4188 0.3307 0.3863 0.0238 0.0160 -0.0358 403 NAG C C3 12865 C C4 A NAG BA . ? 0.4248 0.3164 0.3698 0.0166 0.0128 -0.0341 403 NAG C C4 12866 C C4 B NAG BA . ? 0.4135 0.3302 0.3899 0.0277 0.0129 -0.0348 403 NAG C C4 12867 C C5 A NAG BA . ? 0.4246 0.3249 0.3789 0.0184 0.0112 -0.0316 403 NAG C C5 12868 C C5 B NAG BA . ? 0.4093 0.3255 0.3824 0.0241 0.0091 -0.0294 403 NAG C C5 12869 C C6 A NAG BA . ? 0.4274 0.3310 0.3908 0.0251 0.0121 -0.0350 403 NAG C C6 12870 C C6 B NAG BA . ? 0.4019 0.3229 0.3826 0.0273 0.0061 -0.0281 403 NAG C C6 12871 C C7 A NAG BA . ? 0.4081 0.3078 0.3382 0.0000 0.0109 -0.0278 403 NAG C C7 12872 C C7 B NAG BA . ? 0.4343 0.3457 0.3856 0.0131 0.0229 -0.0353 403 NAG C C7 12873 C C8 A NAG BA . ? 0.4144 0.3137 0.3399 -0.0050 0.0072 -0.0263 403 NAG C C8 12874 C C8 B NAG BA . ? 0.4461 0.3486 0.3856 0.0101 0.0236 -0.0365 403 NAG C C8 12875 N N2 A NAG BA . ? 0.4032 0.3024 0.3384 0.0024 0.0099 -0.0272 403 NAG C N2 12876 N N2 B NAG BA . ? 0.4199 0.3295 0.3742 0.0152 0.0188 -0.0338 403 NAG C N2 12877 O O3 A NAG BA . ? 0.4199 0.3017 0.3483 0.0086 0.0127 -0.0340 403 NAG C O3 12878 O O3 B NAG BA . ? 0.4317 0.3442 0.4017 0.0265 0.0206 -0.0411 403 NAG C O3 12879 O O4 A NAG BA . ? 0.4355 0.3161 0.3759 0.0194 0.0108 -0.0360 403 NAG C O4 12880 O O4 B NAG BA . ? 0.4383 0.3478 0.4150 0.0330 0.0102 -0.0374 403 NAG C O4 12881 O O5 A NAG BA . ? 0.4118 0.3217 0.3693 0.0155 0.0130 -0.0297 403 NAG C O5 12882 O O5 B NAG BA . ? 0.3990 0.3215 0.3714 0.0193 0.0111 -0.0273 403 NAG C O5 12883 O O6 A NAG BA . ? 0.4387 0.3453 0.4040 0.0260 0.0173 -0.0393 403 NAG C O6 12884 O O6 B NAG BA . ? 0.3807 0.3125 0.3722 0.0299 0.0090 -0.0306 403 NAG C O6 12885 O O7 A NAG BA . ? 0.4043 0.3045 0.3332 0.0012 0.0145 -0.0297 403 NAG C O7 12886 O O7 B NAG BA . ? 0.4277 0.3465 0.3843 0.0133 0.0260 -0.0356 403 NAG C O7 12887 C C1 . NAG CA . ? 0.4675 0.3396 0.3690 0.0416 -0.0833 0.0041 404 NAG C C1 12888 C C2 . NAG CA . ? 0.5058 0.3600 0.3903 0.0405 -0.0835 0.0070 404 NAG C C2 12889 C C3 . NAG CA . ? 0.5401 0.3834 0.4208 0.0493 -0.0950 0.0055 404 NAG C C3 12890 C C4 . NAG CA . ? 0.5124 0.3755 0.4194 0.0562 -0.0979 0.0007 404 NAG C C4 12891 C C5 . NAG CA . ? 0.4782 0.3593 0.4011 0.0555 -0.0963 -0.0019 404 NAG C C5 12892 C C6 . NAG CA . ? 0.4504 0.3515 0.3993 0.0611 -0.0983 -0.0071 404 NAG C C6 12893 C C7 . NAG CA . ? 0.6113 0.4395 0.4601 0.0272 -0.0738 0.0132 404 NAG C C7 12894 C C8 . NAG CA . ? 0.6500 0.4615 0.4750 0.0200 -0.0705 0.0159 404 NAG C C8 12895 N N2 . NAG CA . ? 0.5515 0.3890 0.4127 0.0339 -0.0807 0.0104 404 NAG C N2 12896 O O3 . NAG CA . ? 0.5421 0.3696 0.4086 0.0482 -0.0945 0.0080 404 NAG C O3 12897 O O4 . NAG CA . ? 0.5367 0.3911 0.4416 0.0651 -0.1095 -0.0016 404 NAG C O4 12898 O O5 . NAG CA . ? 0.4438 0.3321 0.3676 0.0472 -0.0853 0.0004 404 NAG C O5 12899 O O6 . NAG CA . ? 0.4683 0.3769 0.4267 0.0597 -0.0916 -0.0071 404 NAG C O6 12900 O O7 . NAG CA . ? 0.6245 0.4567 0.4801 0.0265 -0.0700 0.0134 404 NAG C O7 12901 N N1 . EPE DA . ? 0.4853 0.7008 0.6853 -0.0229 0.0540 -0.1127 405 EPE C N1 12902 C C2 . EPE DA . ? 0.4854 0.7029 0.6915 -0.0122 0.0481 -0.1141 405 EPE C C2 12903 C C3 . EPE DA . ? 0.5111 0.7249 0.7110 -0.0142 0.0553 -0.1153 405 EPE C C3 12904 N N4 . EPE DA . ? 0.5360 0.7630 0.7452 -0.0223 0.0659 -0.1251 405 EPE C N4 12905 C C5 . EPE DA . ? 0.5223 0.7481 0.7262 -0.0334 0.0720 -0.1243 405 EPE C C5 12906 C C6 . EPE DA . ? 0.5058 0.7357 0.7169 -0.0309 0.0641 -0.1230 405 EPE C C6 12907 C C7 . EPE DA . ? 0.5842 0.8045 0.7835 -0.0247 0.0729 -0.1249 405 EPE C C7 12908 C C8 . EPE DA . ? 0.6125 0.8503 0.8300 -0.0231 0.0778 -0.1373 405 EPE C C8 12909 O O8 . EPE DA . ? 0.6293 0.8804 0.8566 -0.0329 0.0868 -0.1456 405 EPE C O8 12910 C C9 . EPE DA . ? 0.4430 0.6619 0.6492 -0.0203 0.0464 -0.1119 405 EPE C C9 12911 C C10 . EPE DA . ? 0.4404 0.6518 0.6358 -0.0296 0.0500 -0.1074 405 EPE C C10 12912 S S . EPE DA . ? 0.4083 0.6250 0.6120 -0.0269 0.0417 -0.1078 405 EPE C S 12913 O O1S . EPE DA . ? 0.4197 0.6576 0.6461 -0.0263 0.0414 -0.1196 405 EPE C O1S 12914 O O2S . EPE DA . ? 0.3809 0.5896 0.5808 -0.0163 0.0310 -0.1017 405 EPE C O2S 12915 O O3S . EPE DA . ? 0.4137 0.6226 0.6066 -0.0365 0.0460 -0.1040 405 EPE C O3S 12916 CL CL . CL EA . ? 0.2985 0.4317 0.5065 0.0012 -0.0182 -0.0774 406 CL C CL 12917 P P . PO4 FA . ? 0.2833 0.3865 0.4551 -0.0361 0.0441 -0.0691 407 PO4 C P 12918 O O1 . PO4 FA . ? 0.2877 0.4024 0.4735 -0.0388 0.0502 -0.0768 407 PO4 C O1 12919 O O2 . PO4 FA . ? 0.2955 0.3837 0.4481 -0.0353 0.0460 -0.0611 407 PO4 C O2 12920 O O3 . PO4 FA . ? 0.3018 0.4023 0.4724 -0.0437 0.0478 -0.0711 407 PO4 C O3 12921 O O4 . PO4 FA . ? 0.2316 0.3398 0.4087 -0.0279 0.0332 -0.0682 407 PO4 C O4 12922 C C1 . MPD GA . ? 0.4911 0.5175 0.5224 -0.0047 0.0044 -0.0040 408 MPD C C1 12923 C C2 . MPD GA . ? 0.5037 0.5266 0.5309 -0.0085 0.0055 -0.0044 408 MPD C C2 12924 O O2 . MPD GA . ? 0.4207 0.4500 0.4516 -0.0122 0.0077 -0.0074 408 MPD C O2 12925 C CM . MPD GA . ? 0.5174 0.5395 0.5456 -0.0067 0.0036 -0.0040 408 MPD C CM 12926 C C3 . MPD GA . ? 0.5284 0.5415 0.5462 -0.0103 0.0060 -0.0026 408 MPD C C3 12927 C C4 . MPD GA . ? 0.5810 0.5880 0.5923 -0.0148 0.0073 -0.0028 408 MPD C C4 12928 O O4 . MPD GA . ? 0.6051 0.6042 0.6118 -0.0123 0.0049 -0.0008 408 MPD C O4 12929 C C5 . MPD GA . ? 0.6199 0.6206 0.6227 -0.0195 0.0099 -0.0028 408 MPD C C5 12930 C C1 . MPD HA . ? 0.6317 0.6414 0.6539 0.0006 0.0002 0.0005 409 MPD C C1 12931 C C2 . MPD HA . ? 0.6197 0.6317 0.6462 0.0037 -0.0003 0.0004 409 MPD C C2 12932 O O2 . MPD HA . ? 0.6627 0.6714 0.6869 0.0033 -0.0003 0.0003 409 MPD C O2 12933 C CM . MPD HA . ? 0.6056 0.6241 0.6370 0.0041 0.0000 -0.0003 409 MPD C CM 12934 C C3 . MPD HA . ? 0.6181 0.6284 0.6457 0.0068 -0.0015 0.0008 409 MPD C C3 12935 C C4 . MPD HA . ? 0.6197 0.6328 0.6497 0.0076 -0.0018 0.0008 409 MPD C C4 12936 O O4 . MPD HA . ? 0.6430 0.6544 0.6689 0.0053 -0.0016 0.0010 409 MPD C O4 12937 C C5 . MPD HA . ? 0.5894 0.6010 0.6211 0.0105 -0.0035 0.0005 409 MPD C C5 12938 C C1 . MPD IA . ? 0.6643 0.5848 0.6578 -0.0591 0.0461 -0.0247 401 MPD D C1 12939 C C2 . MPD IA . ? 0.6356 0.5754 0.6447 -0.0551 0.0447 -0.0257 401 MPD D C2 12940 O O2 . MPD IA . ? 0.6220 0.5649 0.6316 -0.0457 0.0377 -0.0223 401 MPD D O2 12941 C CM . MPD IA . ? 0.6465 0.5839 0.6514 -0.0582 0.0501 -0.0251 401 MPD D CM 12942 C C3 . MPD IA . ? 0.6120 0.5695 0.6397 -0.0581 0.0455 -0.0314 401 MPD D C3 12943 C C4 . MPD IA . ? 0.5869 0.5480 0.6195 -0.0554 0.0401 -0.0326 401 MPD D C4 12944 O O4 . MPD IA . ? 0.5689 0.5320 0.6007 -0.0463 0.0333 -0.0290 401 MPD D O4 12945 C C5 . MPD IA . ? 0.5575 0.5363 0.6085 -0.0580 0.0400 -0.0385 401 MPD D C5 12946 C C1 . NAG JA . ? 0.4826 0.3976 0.4305 0.0570 0.0605 -0.0024 402 NAG D C1 12947 C C2 . NAG JA . ? 0.5017 0.4216 0.4559 0.0667 0.0653 0.0005 402 NAG D C2 12948 C C3 . NAG JA . ? 0.5673 0.4648 0.5016 0.0733 0.0709 -0.0002 402 NAG D C3 12949 C C4 . NAG JA . ? 0.5783 0.4570 0.4960 0.0665 0.0653 -0.0035 402 NAG D C4 12950 C C5 . NAG JA . ? 0.5756 0.4528 0.4895 0.0565 0.0605 -0.0061 402 NAG D C5 12951 C C6 . NAG JA . ? 0.5933 0.4540 0.4918 0.0487 0.0545 -0.0089 402 NAG D C6 12952 C C7 . NAG JA . ? 0.4944 0.4507 0.4811 0.0737 0.0696 0.0071 402 NAG D C7 12953 C C8 . NAG JA . ? 0.5054 0.4786 0.5054 0.0773 0.0748 0.0107 402 NAG D C8 12954 N N2 . NAG JA . ? 0.4934 0.4298 0.4613 0.0710 0.0702 0.0036 402 NAG D N2 12955 O O3 . NAG JA . ? 0.5818 0.4827 0.5212 0.0824 0.0745 0.0027 402 NAG D O3 12956 O O4 . NAG JA . ? 0.6106 0.4664 0.5077 0.0721 0.0707 -0.0044 402 NAG D O4 12957 O O5 . NAG JA . ? 0.5221 0.4215 0.4564 0.0524 0.0559 -0.0049 402 NAG D O5 12958 O O6 . NAG JA . ? 0.5886 0.4556 0.4951 0.0472 0.0497 -0.0082 402 NAG D O6 12959 O O7 . NAG JA . ? 0.4864 0.4475 0.4793 0.0731 0.0649 0.0078 402 NAG D O7 12960 C C1 . NAG KA . ? 0.4072 0.4125 0.3968 -0.0128 -0.0309 0.0243 403 NAG D C1 12961 C C2 . NAG KA . ? 0.4505 0.4483 0.4288 -0.0170 -0.0343 0.0254 403 NAG D C2 12962 C C3 . NAG KA . ? 0.4766 0.4686 0.4471 -0.0233 -0.0358 0.0233 403 NAG D C3 12963 C C4 . NAG KA . ? 0.4931 0.4795 0.4632 -0.0225 -0.0301 0.0183 403 NAG D C4 12964 C C5 . NAG KA . ? 0.4811 0.4769 0.4639 -0.0186 -0.0278 0.0179 403 NAG D C5 12965 C C6 . NAG KA . ? 0.4955 0.4862 0.4782 -0.0177 -0.0226 0.0134 403 NAG D C6 12966 C C7 . NAG KA . ? 0.4824 0.4855 0.4594 -0.0145 -0.0409 0.0334 403 NAG D C7 12967 C C8 . NAG KA . ? 0.5051 0.5183 0.4858 -0.0145 -0.0473 0.0398 403 NAG D C8 12968 N N2 . NAG KA . ? 0.4482 0.4536 0.4285 -0.0170 -0.0399 0.0309 403 NAG D N2 12969 O O3 . NAG KA . ? 0.4812 0.4635 0.4390 -0.0266 -0.0377 0.0235 403 NAG D O3 12970 O O4 . NAG KA . ? 0.5184 0.4983 0.4804 -0.0275 -0.0312 0.0165 403 NAG D O4 12971 O O5 . NAG KA . ? 0.4357 0.4352 0.4238 -0.0136 -0.0266 0.0196 403 NAG D O5 12972 O O6 . NAG KA . ? 0.5218 0.5192 0.5145 -0.0138 -0.0201 0.0128 403 NAG D O6 12973 O O7 . NAG KA . ? 0.4897 0.4835 0.4612 -0.0123 -0.0372 0.0313 403 NAG D O7 12974 C C1 A NAG LA . ? 0.3691 0.2548 0.2722 -0.0140 0.0075 0.0205 404 NAG D C1 12975 C C1 B NAG LA . ? 0.3493 0.2214 0.2449 -0.0200 0.0120 0.0201 404 NAG D C1 12976 C C2 A NAG LA . ? 0.3918 0.2644 0.2849 -0.0128 0.0072 0.0226 404 NAG D C2 12977 C C2 B NAG LA . ? 0.3618 0.2245 0.2469 -0.0249 0.0145 0.0214 404 NAG D C2 12978 C C3 A NAG LA . ? 0.4069 0.2725 0.2907 -0.0101 0.0045 0.0258 404 NAG D C3 12979 C C3 B NAG LA . ? 0.3724 0.2202 0.2463 -0.0259 0.0146 0.0230 404 NAG D C3 12980 C C4 A NAG LA . ? 0.4075 0.2746 0.2879 -0.0135 0.0049 0.0257 404 NAG D C4 12981 C C4 B NAG LA . ? 0.3793 0.2212 0.2498 -0.0184 0.0112 0.0244 404 NAG D C4 12982 C C5 A NAG LA . ? 0.3944 0.2735 0.2845 -0.0151 0.0058 0.0231 404 NAG D C5 12983 C C5 B NAG LA . ? 0.3720 0.2254 0.2545 -0.0141 0.0096 0.0228 404 NAG D C5 12984 C C6 A NAG LA . ? 0.3970 0.2750 0.2816 -0.0187 0.0076 0.0226 404 NAG D C6 12985 C C6 B NAG LA . ? 0.3875 0.2363 0.2676 -0.0061 0.0070 0.0247 404 NAG D C6 12986 C C7 A NAG LA . ? 0.4097 0.2776 0.3055 -0.0106 0.0080 0.0213 404 NAG D C7 12987 C C7 B NAG LA . ? 0.3613 0.2337 0.2502 -0.0326 0.0205 0.0202 404 NAG D C7 12988 C C8 A NAG LA . ? 0.4143 0.2805 0.3118 -0.0053 0.0069 0.0213 404 NAG D C8 12989 C C8 B NAG LA . ? 0.3613 0.2415 0.2560 -0.0377 0.0253 0.0194 404 NAG D C8 12990 N N2 A NAG LA . ? 0.3971 0.2695 0.2936 -0.0083 0.0059 0.0226 404 NAG D N2 12991 N N2 B NAG LA . ? 0.3605 0.2299 0.2504 -0.0309 0.0184 0.0201 404 NAG D N2 12992 O O3 A NAG LA . ? 0.4083 0.2599 0.2809 -0.0100 0.0052 0.0276 404 NAG D O3 12993 O O3 B NAG LA . ? 0.3846 0.2233 0.2477 -0.0296 0.0163 0.0248 404 NAG D O3 12994 O O4 A NAG LA . ? 0.4542 0.3203 0.3307 -0.0097 0.0005 0.0285 404 NAG D O4 12995 O O4 B NAG LA . ? 0.3941 0.2208 0.2536 -0.0188 0.0117 0.0255 404 NAG D O4 12996 O O5 A NAG LA . ? 0.3810 0.2646 0.2785 -0.0174 0.0091 0.0207 404 NAG D O5 12997 O O5 B NAG LA . ? 0.3604 0.2265 0.2515 -0.0139 0.0089 0.0220 404 NAG D O5 12998 O O6 A NAG LA . ? 0.3846 0.2649 0.2719 -0.0229 0.0129 0.0205 404 NAG D O6 12999 O O6 B NAG LA . ? 0.3822 0.2441 0.2740 -0.0018 0.0052 0.0240 404 NAG D O6 13000 O O7 A NAG LA . ? 0.4279 0.2932 0.3215 -0.0169 0.0108 0.0202 404 NAG D O7 13001 O O7 B NAG LA . ? 0.3684 0.2372 0.2514 -0.0300 0.0188 0.0213 404 NAG D O7 13002 C C1 . NAG MA . ? 0.5199 0.3268 0.3614 0.0547 0.0485 -0.0092 405 NAG D C1 13003 C C2 . NAG MA . ? 0.5561 0.3408 0.3797 0.0494 0.0461 -0.0113 405 NAG D C2 13004 C C3 . NAG MA . ? 0.5853 0.3518 0.3933 0.0598 0.0532 -0.0101 405 NAG D C3 13005 C C4 . NAG MA . ? 0.5650 0.3499 0.3907 0.0696 0.0564 -0.0060 405 NAG D C4 13006 C C5 . NAG MA . ? 0.5434 0.3514 0.3873 0.0735 0.0582 -0.0039 405 NAG D C5 13007 C C6 . NAG MA . ? 0.5223 0.3504 0.3843 0.0827 0.0612 0.0007 405 NAG D C6 13008 C C7 . NAG MA . ? 0.6384 0.4034 0.4431 0.0291 0.0361 -0.0163 405 NAG D C7 13009 C C8 . NAG MA . ? 0.6612 0.4102 0.4487 0.0204 0.0328 -0.0191 405 NAG D C8 13010 N N2 . NAG MA . ? 0.6009 0.3698 0.4084 0.0407 0.0430 -0.0146 405 NAG D N2 13011 O O3 . NAG MA . ? 0.5964 0.3430 0.3887 0.0546 0.0507 -0.0118 405 NAG D O3 13012 O O4 . NAG MA . ? 0.5929 0.3606 0.4038 0.0801 0.0632 -0.0045 405 NAG D O4 13013 O O5 . NAG MA . ? 0.4867 0.3090 0.3432 0.0628 0.0513 -0.0056 405 NAG D O5 13014 O O6 . NAG MA . ? 0.5581 0.3945 0.4301 0.0780 0.0558 0.0012 405 NAG D O6 13015 O O7 . NAG MA . ? 0.6650 0.4392 0.4803 0.0251 0.0322 -0.0156 405 NAG D O7 13016 N N1 . EPE NA . ? 0.4502 0.6247 0.6047 -0.0041 -0.0418 0.0536 406 EPE D N1 13017 C C2 . EPE NA . ? 0.4579 0.6245 0.6083 0.0047 -0.0394 0.0524 406 EPE D C2 13018 C C3 . EPE NA . ? 0.4942 0.6534 0.6362 0.0009 -0.0460 0.0517 406 EPE D C3 13019 N N4 . EPE NA . ? 0.5151 0.6907 0.6666 -0.0020 -0.0526 0.0586 406 EPE D N4 13020 C C5 . EPE NA . ? 0.4891 0.6743 0.6457 -0.0112 -0.0555 0.0605 406 EPE D C5 13021 C C6 . EPE NA . ? 0.4695 0.6612 0.6341 -0.0081 -0.0485 0.0606 406 EPE D C6 13022 C C7 . EPE NA . ? 0.5738 0.7412 0.7160 -0.0053 -0.0588 0.0580 406 EPE D C7 13023 C C8 . EPE NA . ? 0.6337 0.7992 0.7760 0.0045 -0.0572 0.0597 406 EPE D C8 13024 O O8 . EPE NA . ? 0.6919 0.8723 0.8431 0.0047 -0.0634 0.0670 406 EPE D O8 13025 C C9 . EPE NA . ? 0.4160 0.5960 0.5772 -0.0004 -0.0349 0.0538 406 EPE D C9 13026 C C10 . EPE NA . ? 0.4221 0.6053 0.5842 -0.0097 -0.0361 0.0535 406 EPE D C10 13027 S S . EPE NA . ? 0.4020 0.5941 0.5730 -0.0056 -0.0285 0.0551 406 EPE D S 13028 O O1S . EPE NA . ? 0.4026 0.5959 0.5727 -0.0157 -0.0305 0.0546 406 EPE D O1S 13029 O O2S . EPE NA . ? 0.4031 0.5808 0.5662 0.0016 -0.0215 0.0498 406 EPE D O2S 13030 O O3S . EPE NA . ? 0.4268 0.6394 0.6136 -0.0002 -0.0275 0.0627 406 EPE D O3S 13031 CL CL . CL OA . ? 0.4645 0.6975 0.6236 0.0558 0.0355 0.0850 407 CL D CL 13032 P P . PO4 PA . ? 0.2514 0.4929 0.4113 -0.0054 -0.0186 0.0861 408 PO4 D P 13033 O O1 . PO4 PA . ? 0.2630 0.5178 0.4305 -0.0034 -0.0226 0.0926 408 PO4 D O1 13034 O O2 . PO4 PA . ? 0.2787 0.4982 0.4240 -0.0117 -0.0224 0.0780 408 PO4 D O2 13035 O O3 . PO4 PA . ? 0.2905 0.5469 0.4578 -0.0133 -0.0199 0.0910 408 PO4 D O3 13036 O O4 . PO4 PA . ? 0.2153 0.4514 0.3745 0.0063 -0.0097 0.0836 408 PO4 D O4 13037 C C1 . MPD QA . ? 0.5613 0.5743 0.5991 -0.0149 -0.0020 -0.0027 409 MPD D C1 13038 C C2 . MPD QA . ? 0.5888 0.5997 0.6242 -0.0196 -0.0024 -0.0018 409 MPD D C2 13039 O O2 . MPD QA . ? 0.6039 0.6235 0.6462 -0.0222 -0.0033 -0.0002 409 MPD D O2 13040 C CM . MPD QA . ? 0.5800 0.5888 0.6139 -0.0192 -0.0002 -0.0015 409 MPD D CM 13041 C C3 . MPD QA . ? 0.5857 0.5875 0.6128 -0.0217 -0.0040 -0.0026 409 MPD D C3 13042 C C4 . MPD QA . ? 0.6396 0.6367 0.6620 -0.0273 -0.0048 -0.0017 409 MPD D C4 13043 O O4 . MPD QA . ? 0.6231 0.6132 0.6401 -0.0262 -0.0028 -0.0020 409 MPD D O4 13044 C C5 . MPD QA . ? 0.6400 0.6288 0.6542 -0.0308 -0.0072 -0.0023 409 MPD D C5 13045 C C1 . MPD RA . ? 0.5095 0.5122 0.5385 -0.0072 0.0011 -0.0033 410 MPD D C1 13046 C C2 . MPD RA . ? 0.5154 0.5104 0.5379 -0.0078 0.0009 -0.0034 410 MPD D C2 13047 O O2 . MPD RA . ? 0.4995 0.4938 0.5214 -0.0102 -0.0002 -0.0040 410 MPD D O2 13048 C CM . MPD RA . ? 0.5302 0.5207 0.5489 -0.0103 0.0016 -0.0029 410 MPD D CM 13049 C C3 . MPD RA . ? 0.5226 0.5141 0.5418 -0.0037 0.0014 -0.0031 410 MPD D C3 13050 C C4 . MPD RA . ? 0.5222 0.5181 0.5447 -0.0014 0.0010 -0.0033 410 MPD D C4 13051 O O4 . MPD RA . ? 0.5241 0.5192 0.5461 -0.0034 0.0002 -0.0042 410 MPD D O4 13052 C C5 . MPD RA . ? 0.5010 0.4944 0.5207 0.0028 0.0019 -0.0024 410 MPD D C5 13053 C C1 . MPD SA . ? 0.6534 0.6435 0.6630 -0.0363 -0.0177 -0.0027 411 MPD D C1 13054 C C2 . MPD SA . ? 0.7005 0.6861 0.7034 -0.0409 -0.0216 -0.0025 411 MPD D C2 13055 O O2 . MPD SA . ? 0.7258 0.6966 0.7146 -0.0452 -0.0223 -0.0034 411 MPD D O2 13056 C CM . MPD SA . ? 0.6781 0.6612 0.6786 -0.0361 -0.0207 -0.0039 411 MPD D CM 13057 C C3 . MPD SA . ? 0.6782 0.6763 0.6902 -0.0458 -0.0256 0.0004 411 MPD D C3 13058 C C4 . MPD SA . ? 0.6911 0.6948 0.7076 -0.0511 -0.0264 0.0026 411 MPD D C4 13059 O O4 . MPD SA . ? 0.6893 0.6794 0.6926 -0.0570 -0.0278 0.0018 411 MPD D O4 13060 C C5 . MPD SA . ? 0.6893 0.7079 0.7165 -0.0553 -0.0302 0.0063 411 MPD D C5 13061 C C1 . MPD TA . ? 0.6271 0.6465 0.6635 -0.0399 -0.0153 0.0029 412 MPD D C1 13062 C C2 . MPD TA . ? 0.6120 0.6432 0.6596 -0.0365 -0.0125 0.0044 412 MPD D C2 13063 O O2 . MPD TA . ? 0.6605 0.6863 0.7051 -0.0331 -0.0090 0.0029 412 MPD D O2 13064 C CM . MPD TA . ? 0.6175 0.6581 0.6715 -0.0419 -0.0135 0.0077 412 MPD D CM 13065 C C3 . MPD TA . ? 0.6059 0.6445 0.6605 -0.0314 -0.0123 0.0046 412 MPD D C3 13066 C C4 . MPD TA . ? 0.5974 0.6369 0.6547 -0.0252 -0.0084 0.0035 412 MPD D C4 13067 O O4 . MPD TA . ? 0.6128 0.6553 0.6728 -0.0258 -0.0057 0.0046 412 MPD D O4 13068 C C5 . MPD TA . ? 0.5701 0.6165 0.6339 -0.0207 -0.0080 0.0041 412 MPD D C5 # 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 GLY 1 0 ? ? ? A . n A 1 2 ALA 2 1 ? ? ? A . n A 1 3 GLY 3 2 ? ? ? A . n A 1 4 ARG 4 3 ? ? ? A . n A 1 5 HIS 5 4 4 HIS HIS A . n A 1 6 PRO 6 5 5 PRO PRO A . n A 1 7 PRO 7 6 6 PRO PRO A . n A 1 8 VAL 8 7 7 VAL VAL A . n A 1 9 VAL 9 8 8 VAL VAL A . n A 1 10 LEU 10 9 9 LEU LEU A . n A 1 11 VAL 11 10 10 VAL VAL A . n A 1 12 PRO 12 11 11 PRO PRO A . n A 1 13 GLY 13 12 12 GLY GLY A . n A 1 14 ASP 14 13 13 ASP ASP A . n A 1 15 LEU 15 14 14 LEU LEU A . n A 1 16 GLY 16 15 15 GLY GLY A . n A 1 17 ASN 17 16 16 ASN ASN A . n A 1 18 GLN 18 17 17 GLN GLN A . n A 1 19 LEU 19 18 18 LEU LEU A . n A 1 20 GLU 20 19 19 GLU GLU A . n A 1 21 ALA 21 20 20 ALA ALA A . n A 1 22 LYS 22 21 21 LYS LYS A . n A 1 23 LEU 23 22 22 LEU LEU A . n A 1 24 ASP 24 23 23 ASP ASP A . n A 1 25 LYS 25 24 24 LYS LYS A . n A 1 26 PRO 26 25 25 PRO PRO A . n A 1 27 THR 27 26 26 THR THR A . n A 1 28 VAL 28 27 27 VAL VAL A . n A 1 29 VAL 29 28 28 VAL VAL A . n A 1 30 HIS 30 29 29 HIS HIS A . n A 1 31 TYR 31 30 30 TYR TYR A . n A 1 32 LEU 32 31 31 LEU LEU A . n A 1 33 CYS 33 32 32 CYS CYS A . n A 1 34 SER 34 33 33 SER SER A . n A 1 35 LYS 35 34 34 LYS LYS A . n A 1 36 LYS 36 35 35 LYS LYS A . n A 1 37 THR 37 36 36 THR THR A . n A 1 38 GLU 38 37 37 GLU GLU A . n A 1 39 SER 39 38 38 SER SER A . n A 1 40 TYR 40 39 39 TYR TYR A . n A 1 41 PHE 41 40 40 PHE PHE A . n A 1 42 THR 42 41 41 THR THR A . n A 1 43 ILE 43 42 42 ILE ILE A . n A 1 44 TRP 44 43 43 TRP TRP A . n A 1 45 LEU 45 44 44 LEU LEU A . n A 1 46 ASN 46 45 45 ASN ASN A . n A 1 47 LEU 47 46 46 LEU LEU A . n A 1 48 GLU 48 47 47 GLU GLU A . n A 1 49 LEU 49 48 48 LEU LEU A . n A 1 50 LEU 50 49 49 LEU LEU A . n A 1 51 LEU 51 50 50 LEU LEU A . n A 1 52 PRO 52 51 51 PRO PRO A . n A 1 53 VAL 53 52 52 VAL VAL A . n A 1 54 ILE 54 53 53 ILE ILE A . n A 1 55 ILE 55 54 54 ILE ILE A . n A 1 56 ASP 56 55 55 ASP ASP A . n A 1 57 CYS 57 56 56 CYS CYS A . n A 1 58 TRP 58 57 57 TRP TRP A . n A 1 59 ILE 59 58 58 ILE ILE A . n A 1 60 ASP 60 59 59 ASP ASP A . n A 1 61 ASN 61 60 60 ASN ASN A . n A 1 62 ILE 62 61 61 ILE ILE A . n A 1 63 ARG 63 62 62 ARG ARG A . n A 1 64 LEU 64 63 63 LEU LEU A . n A 1 65 VAL 65 64 64 VAL VAL A . n A 1 66 TYR 66 65 65 TYR TYR A . n A 1 67 ASN 67 66 66 ASN ASN A . n A 1 68 LYS 68 67 67 LYS LYS A . n A 1 69 THR 69 68 68 THR THR A . n A 1 70 SER 70 69 69 SER SER A . n A 1 71 ARG 71 70 70 ARG ARG A . n A 1 72 ALA 72 71 71 ALA ALA A . n A 1 73 THR 73 72 72 THR THR A . n A 1 74 GLN 74 73 73 GLN GLN A . n A 1 75 PHE 75 74 74 PHE PHE A . n A 1 76 PRO 76 75 75 PRO PRO A . n A 1 77 ASP 77 76 76 ASP ASP A . n A 1 78 GLY 78 77 77 GLY GLY A . n A 1 79 VAL 79 78 78 VAL VAL A . n A 1 80 ASP 80 79 79 ASP ASP A . n A 1 81 VAL 81 80 80 VAL VAL A . n A 1 82 ARG 82 81 81 ARG ARG A . n A 1 83 VAL 83 82 82 VAL VAL A . n A 1 84 PRO 84 83 83 PRO PRO A . n A 1 85 GLY 85 84 84 GLY GLY A . n A 1 86 PHE 86 85 85 PHE PHE A . n A 1 87 GLY 87 86 86 GLY GLY A . n A 1 88 LYS 88 87 87 LYS LYS A . n A 1 89 THR 89 88 88 THR THR A . n A 1 90 PHE 90 89 89 PHE PHE A . n A 1 91 SER 91 90 90 SER SER A . n A 1 92 LEU 92 91 91 LEU LEU A . n A 1 93 GLU 93 92 92 GLU GLU A . n A 1 94 PHE 94 93 93 PHE PHE A . n A 1 95 LEU 95 94 94 LEU LEU A . n A 1 96 ASP 96 95 95 ASP ASP A . n A 1 97 PRO 97 96 96 PRO PRO A . n A 1 98 SER 98 97 97 SER SER A . n A 1 99 LYS 99 98 98 LYS LYS A . n A 1 100 SER 100 99 99 SER SER A . n A 1 101 SER 101 100 100 SER SER A . n A 1 102 VAL 102 101 101 VAL VAL A . n A 1 103 GLY 103 102 102 GLY GLY A . n A 1 104 SER 104 103 103 SER SER A . n A 1 105 TYR 105 104 104 TYR TYR A . n A 1 106 PHE 106 105 105 PHE PHE A . n A 1 107 HIS 107 106 106 HIS HIS A . n A 1 108 THR 108 107 107 THR THR A . n A 1 109 MET 109 108 108 MET MET A . n A 1 110 VAL 110 109 109 VAL VAL A . n A 1 111 GLU 111 110 110 GLU GLU A . n A 1 112 SER 112 111 111 SER SER A . n A 1 113 LEU 113 112 112 LEU LEU A . n A 1 114 VAL 114 113 113 VAL VAL A . n A 1 115 GLY 115 114 114 GLY GLY A . n A 1 116 TRP 116 115 115 TRP TRP A . n A 1 117 GLY 117 116 116 GLY GLY A . n A 1 118 TYR 118 117 117 TYR TYR A . n A 1 119 THR 119 118 118 THR THR A . n A 1 120 ARG 120 119 119 ARG ARG A . n A 1 121 GLY 121 120 120 GLY GLY A . n A 1 122 GLU 122 121 121 GLU GLU A . n A 1 123 ASP 123 122 122 ASP ASP A . n A 1 124 VAL 124 123 123 VAL VAL A . n A 1 125 ARG 125 124 124 ARG ARG A . n A 1 126 GLY 126 125 125 GLY GLY A . n A 1 127 ALA 127 126 126 ALA ALA A . n A 1 128 PRO 128 127 127 PRO PRO A . n A 1 129 TYR 129 128 128 TYR TYR A . n A 1 130 ASP 130 129 129 ASP ASP A . n A 1 131 TRP 131 130 130 TRP TRP A . n A 1 132 ARG 132 131 131 ARG ARG A . n A 1 133 ARG 133 132 132 ARG ARG A . n A 1 134 ALA 134 133 133 ALA ALA A . n A 1 135 PRO 135 134 134 PRO PRO A . n A 1 136 ASN 136 135 135 ASN ASN A . n A 1 137 GLU 137 136 136 GLU GLU A . n A 1 138 ASN 138 137 137 ASN ASN A . n A 1 139 GLY 139 138 138 GLY GLY A . n A 1 140 PRO 140 139 139 PRO PRO A . n A 1 141 TYR 141 140 140 TYR TYR A . n A 1 142 PHE 142 141 141 PHE PHE A . n A 1 143 LEU 143 142 142 LEU LEU A . n A 1 144 ALA 144 143 143 ALA ALA A . n A 1 145 LEU 145 144 144 LEU LEU A . n A 1 146 ARG 146 145 145 ARG ARG A . n A 1 147 GLU 147 146 146 GLU GLU A . n A 1 148 MET 148 147 147 MET MET A . n A 1 149 ILE 149 148 148 ILE ILE A . n A 1 150 GLU 150 149 149 GLU GLU A . n A 1 151 GLU 151 150 150 GLU GLU A . n A 1 152 MET 152 151 151 MET MET A . n A 1 153 TYR 153 152 152 TYR TYR A . n A 1 154 GLN 154 153 153 GLN GLN A . n A 1 155 LEU 155 154 154 LEU LEU A . n A 1 156 TYR 156 155 155 TYR TYR A . n A 1 157 GLY 157 156 156 GLY GLY A . n A 1 158 GLY 158 157 157 GLY GLY A . n A 1 159 PRO 159 158 158 PRO PRO A . n A 1 160 VAL 160 159 159 VAL VAL A . n A 1 161 VAL 161 160 160 VAL VAL A . n A 1 162 LEU 162 161 161 LEU LEU A . n A 1 163 VAL 163 162 162 VAL VAL A . n A 1 164 ALA 164 163 163 ALA ALA A . n A 1 165 HIS 165 164 164 HIS HIS A . n A 1 166 SER 166 165 165 SER SER A . n A 1 167 MET 167 166 166 MET MET A . n A 1 168 GLY 168 167 167 GLY GLY A . n A 1 169 ASN 169 168 168 ASN ASN A . n A 1 170 MET 170 169 169 MET MET A . n A 1 171 TYR 171 170 170 TYR TYR A . n A 1 172 THR 172 171 171 THR THR A . n A 1 173 LEU 173 172 172 LEU LEU A . n A 1 174 TYR 174 173 173 TYR TYR A . n A 1 175 PHE 175 174 174 PHE PHE A . n A 1 176 LEU 176 175 175 LEU LEU A . n A 1 177 GLN 177 176 176 GLN GLN A . n A 1 178 ARG 178 177 177 ARG ARG A . n A 1 179 GLN 179 178 178 GLN GLN A . n A 1 180 PRO 180 179 179 PRO PRO A . n A 1 181 GLN 181 180 180 GLN GLN A . n A 1 182 ALA 182 181 181 ALA ALA A . n A 1 183 TRP 183 182 182 TRP TRP A . n A 1 184 LYS 184 183 183 LYS LYS A . n A 1 185 ASP 185 184 184 ASP ASP A . n A 1 186 LYS 186 185 185 LYS LYS A . n A 1 187 TYR 187 186 186 TYR TYR A . n A 1 188 ILE 188 187 187 ILE ILE A . n A 1 189 ARG 189 188 188 ARG ARG A . n A 1 190 ALA 190 189 189 ALA ALA A . n A 1 191 PHE 191 190 190 PHE PHE A . n A 1 192 VAL 192 191 191 VAL VAL A . n A 1 193 SER 193 192 192 SER SER A . n A 1 194 LEU 194 193 193 LEU LEU A . n A 1 195 GLY 195 194 194 GLY GLY A . n A 1 196 ALA 196 195 195 ALA ALA A . n A 1 197 PRO 197 196 196 PRO PRO A . n A 1 198 TRP 198 197 197 TRP TRP A . n A 1 199 GLY 199 198 198 GLY GLY A . n A 1 200 GLY 200 199 199 GLY GLY A . n A 1 201 VAL 201 200 200 VAL VAL A . n A 1 202 ALA 202 201 201 ALA ALA A . n A 1 203 LYS 203 202 202 LYS LYS A . n A 1 204 THR 204 203 203 THR THR A . n A 1 205 LEU 205 204 204 LEU LEU A . n A 1 206 ARG 206 205 205 ARG ARG A . n A 1 207 VAL 207 206 206 VAL VAL A . n A 1 208 LEU 208 207 207 LEU LEU A . n A 1 209 ALA 209 208 208 ALA ALA A . n A 1 210 SER 210 209 209 SER SER A . n A 1 211 GLY 211 210 210 GLY GLY A . n A 1 212 ASP 212 211 211 ASP ASP A . n A 1 213 ASN 213 212 212 ASN ASN A . n A 1 214 ASN 214 213 213 ASN ASN A . n A 1 215 ARG 215 214 214 ARG ARG A . n A 1 216 ILE 216 215 215 ILE ILE A . n A 1 217 PRO 217 216 216 PRO PRO A . n A 1 218 VAL 218 217 217 VAL VAL A . n A 1 219 ILE 219 218 218 ILE ILE A . n A 1 220 GLY 220 219 219 GLY GLY A . n A 1 221 PRO 221 220 220 PRO PRO A . n A 1 222 LEU 222 221 221 LEU LEU A . n A 1 223 LYS 223 222 222 LYS LYS A . n A 1 224 ILE 224 223 223 ILE ILE A . n A 1 225 ARG 225 224 224 ARG ARG A . n A 1 226 GLU 226 225 225 GLU GLU A . n A 1 227 GLN 227 226 226 GLN GLN A . n A 1 228 GLN 228 227 227 GLN GLN A . n A 1 229 ARG 229 228 228 ARG ARG A . n A 1 230 SER 230 229 229 SER SER A . n A 1 231 ALA 231 230 230 ALA ALA A . n A 1 232 VAL 232 231 231 VAL VAL A . n A 1 233 SER 233 232 232 SER SER A . n A 1 234 THR 234 233 233 THR THR A . n A 1 235 SER 235 234 234 SER SER A . n A 1 236 TRP 236 235 235 TRP TRP A . n A 1 237 LEU 237 236 236 LEU LEU A . n A 1 238 LEU 238 237 237 LEU LEU A . n A 1 239 PRO 239 238 238 PRO PRO A . n A 1 240 TYR 240 239 239 TYR TYR A . n A 1 241 ASN 241 240 240 ASN ASN A . n A 1 242 TYR 242 241 241 TYR TYR A . n A 1 243 THR 243 242 242 THR THR A . n A 1 244 TRP 244 243 243 TRP TRP A . n A 1 245 SER 245 244 244 SER SER A . n A 1 246 PRO 246 245 245 PRO PRO A . n A 1 247 GLU 247 246 246 GLU GLU A . n A 1 248 LYS 248 247 247 LYS LYS A . n A 1 249 VAL 249 248 248 VAL VAL A . n A 1 250 PHE 250 249 249 PHE PHE A . n A 1 251 VAL 251 250 250 VAL VAL A . n A 1 252 GLN 252 251 251 GLN GLN A . n A 1 253 THR 253 252 252 THR THR A . n A 1 254 PRO 254 253 253 PRO PRO A . n A 1 255 THR 255 254 254 THR THR A . n A 1 256 ILE 256 255 255 ILE ILE A . n A 1 257 ASN 257 256 256 ASN ASN A . n A 1 258 TYR 258 257 257 TYR TYR A . n A 1 259 THR 259 258 258 THR THR A . n A 1 260 LEU 260 259 259 LEU LEU A . n A 1 261 ARG 261 260 260 ARG ARG A . n A 1 262 ASP 262 261 261 ASP ASP A . n A 1 263 TYR 263 262 262 TYR TYR A . n A 1 264 ARG 264 263 263 ARG ARG A . n A 1 265 LYS 265 264 264 LYS LYS A . n A 1 266 PHE 266 265 265 PHE PHE A . n A 1 267 PHE 267 266 266 PHE PHE A . n A 1 268 GLN 268 267 267 GLN GLN A . n A 1 269 ASP 269 268 268 ASP ASP A . n A 1 270 ILE 270 269 269 ILE ILE A . n A 1 271 GLY 271 270 270 GLY GLY A . n A 1 272 PHE 272 271 271 PHE PHE A . n A 1 273 GLU 273 272 272 GLU GLU A . n A 1 274 ASP 274 273 273 ASP ASP A . n A 1 275 GLY 275 274 274 GLY GLY A . n A 1 276 TRP 276 275 275 TRP TRP A . n A 1 277 LEU 277 276 276 LEU LEU A . n A 1 278 MET 278 277 277 MET MET A . n A 1 279 ARG 279 278 278 ARG ARG A . n A 1 280 GLN 280 279 279 GLN GLN A . n A 1 281 ASP 281 280 280 ASP ASP A . n A 1 282 THR 282 281 281 THR THR A . n A 1 283 GLU 283 282 282 GLU GLU A . n A 1 284 GLY 284 283 283 GLY GLY A . n A 1 285 LEU 285 284 284 LEU LEU A . n A 1 286 VAL 286 285 285 VAL VAL A . n A 1 287 GLU 287 286 286 GLU GLU A . n A 1 288 ALA 288 287 287 ALA ALA A . n A 1 289 THR 289 288 288 THR THR A . n A 1 290 MET 290 289 289 MET MET A . n A 1 291 PRO 291 290 290 PRO PRO A . n A 1 292 PRO 292 291 291 PRO PRO A . n A 1 293 GLY 293 292 292 GLY GLY A . n A 1 294 VAL 294 293 293 VAL VAL A . n A 1 295 GLN 295 294 294 GLN GLN A . n A 1 296 LEU 296 295 295 LEU LEU A . n A 1 297 HIS 297 296 296 HIS HIS A . n A 1 298 CYS 298 297 297 CYS CYS A . n A 1 299 LEU 299 298 298 LEU LEU A . n A 1 300 TYR 300 299 299 TYR TYR A . n A 1 301 GLY 301 300 300 GLY GLY A . n A 1 302 THR 302 301 301 THR THR A . n A 1 303 GLY 303 302 302 GLY GLY A . n A 1 304 VAL 304 303 303 VAL VAL A . n A 1 305 PRO 305 304 304 PRO PRO A . n A 1 306 THR 306 305 305 THR THR A . n A 1 307 PRO 307 306 306 PRO PRO A . n A 1 308 ASP 308 307 307 ASP ASP A . n A 1 309 SER 309 308 308 SER SER A . n A 1 310 PHE 310 309 309 PHE PHE A . n A 1 311 TYR 311 310 310 TYR TYR A . n A 1 312 TYR 312 311 311 TYR TYR A . n A 1 313 GLU 313 312 312 GLU GLU A . n A 1 314 SER 314 313 313 SER SER A . n A 1 315 PHE 315 314 314 PHE PHE A . n A 1 316 PRO 316 315 315 PRO PRO A . n A 1 317 ASP 317 316 316 ASP ASP A . n A 1 318 ARG 318 317 317 ARG ARG A . n A 1 319 ASP 319 318 318 ASP ASP A . n A 1 320 PRO 320 319 319 PRO PRO A . n A 1 321 LYS 321 320 320 LYS LYS A . n A 1 322 ILE 322 321 321 ILE ILE A . n A 1 323 CYS 323 322 322 CYS CYS A . n A 1 324 PHE 324 323 323 PHE PHE A . n A 1 325 GLY 325 324 324 GLY GLY A . n A 1 326 ASP 326 325 325 ASP ASP A . n A 1 327 GLY 327 326 326 GLY GLY A . n A 1 328 ASP 328 327 327 ASP ASP A . n A 1 329 GLY 329 328 328 GLY GLY A . n A 1 330 THR 330 329 329 THR THR A . n A 1 331 VAL 331 330 330 VAL VAL A . n A 1 332 ASN 332 331 331 ASN ASN A . n A 1 333 LEU 333 332 332 LEU LEU A . n A 1 334 LYS 334 333 333 LYS LYS A . n A 1 335 SER 335 334 334 SER SER A . n A 1 336 ALA 336 335 335 ALA ALA A . n A 1 337 LEU 337 336 336 LEU LEU A . n A 1 338 GLN 338 337 337 GLN GLN A . n A 1 339 CYS 339 338 338 CYS CYS A . n A 1 340 GLN 340 339 339 GLN GLN A . n A 1 341 ALA 341 340 340 ALA ALA A . n A 1 342 TRP 342 341 341 TRP TRP A . n A 1 343 GLN 343 342 342 GLN GLN A . n A 1 344 SER 344 343 343 SER SER A . n A 1 345 ARG 345 344 344 ARG ARG A . n A 1 346 GLN 346 345 345 GLN GLN A . n A 1 347 GLU 347 346 346 GLU GLU A . n A 1 348 HIS 348 347 347 HIS HIS A . n A 1 349 GLN 349 348 348 GLN GLN A . n A 1 350 VAL 350 349 349 VAL VAL A . n A 1 351 LEU 351 350 350 LEU LEU A . n A 1 352 LEU 352 351 351 LEU LEU A . n A 1 353 GLN 353 352 352 GLN GLN A . n A 1 354 GLU 354 353 353 GLU GLU A . n A 1 355 LEU 355 354 354 LEU LEU A . n A 1 356 PRO 356 355 355 PRO PRO A . n A 1 357 GLY 357 356 356 GLY GLY A . n A 1 358 SER 358 357 357 SER SER A . n A 1 359 GLU 359 358 358 GLU GLU A . n A 1 360 HIS 360 359 359 HIS HIS A . n A 1 361 ILE 361 360 360 ILE ILE A . n A 1 362 GLU 362 361 361 GLU GLU A . n A 1 363 MET 363 362 362 MET MET A . n A 1 364 LEU 364 363 363 LEU LEU A . n A 1 365 ALA 365 364 364 ALA ALA A . n A 1 366 ASN 366 365 365 ASN ASN A . n A 1 367 ALA 367 366 366 ALA ALA A . n A 1 368 THR 368 367 367 THR THR A . n A 1 369 THR 369 368 368 THR THR A . n A 1 370 LEU 370 369 369 LEU LEU A . n A 1 371 ALA 371 370 370 ALA ALA A . n A 1 372 TYR 372 371 371 TYR TYR A . n A 1 373 LEU 373 372 372 LEU LEU A . n A 1 374 LYS 374 373 373 LYS LYS A . n A 1 375 ARG 375 374 374 ARG ARG A . n A 1 376 VAL 376 375 375 VAL VAL A . n A 1 377 LEU 377 376 376 LEU LEU A . n A 1 378 LEU 378 377 377 LEU LEU A . n A 1 379 GLY 379 378 378 GLY GLY A . n A 1 380 PRO 380 379 379 PRO PRO A . n B 1 1 GLY 1 0 ? ? ? B . n B 1 2 ALA 2 1 ? ? ? B . n B 1 3 GLY 3 2 ? ? ? B . n B 1 4 ARG 4 3 ? ? ? B . n B 1 5 HIS 5 4 4 HIS HIS B . n B 1 6 PRO 6 5 5 PRO PRO B . n B 1 7 PRO 7 6 6 PRO PRO B . n B 1 8 VAL 8 7 7 VAL VAL B . n B 1 9 VAL 9 8 8 VAL VAL B . n B 1 10 LEU 10 9 9 LEU LEU B . n B 1 11 VAL 11 10 10 VAL VAL B . n B 1 12 PRO 12 11 11 PRO PRO B . n B 1 13 GLY 13 12 12 GLY GLY B . n B 1 14 ASP 14 13 13 ASP ASP B . n B 1 15 LEU 15 14 14 LEU LEU B . n B 1 16 GLY 16 15 15 GLY GLY B . n B 1 17 ASN 17 16 16 ASN ASN B . n B 1 18 GLN 18 17 17 GLN GLN B . n B 1 19 LEU 19 18 18 LEU LEU B . n B 1 20 GLU 20 19 19 GLU GLU B . n B 1 21 ALA 21 20 20 ALA ALA B . n B 1 22 LYS 22 21 21 LYS LYS B . n B 1 23 LEU 23 22 22 LEU LEU B . n B 1 24 ASP 24 23 23 ASP ASP B . n B 1 25 LYS 25 24 24 LYS LYS B . n B 1 26 PRO 26 25 25 PRO PRO B . n B 1 27 THR 27 26 26 THR THR B . n B 1 28 VAL 28 27 27 VAL VAL B . n B 1 29 VAL 29 28 28 VAL VAL B . n B 1 30 HIS 30 29 29 HIS HIS B . n B 1 31 TYR 31 30 30 TYR TYR B . n B 1 32 LEU 32 31 31 LEU LEU B . n B 1 33 CYS 33 32 32 CYS CYS B . n B 1 34 SER 34 33 33 SER SER B . n B 1 35 LYS 35 34 34 LYS LYS B . n B 1 36 LYS 36 35 35 LYS LYS B . n B 1 37 THR 37 36 36 THR THR B . n B 1 38 GLU 38 37 37 GLU GLU B . n B 1 39 SER 39 38 38 SER SER B . n B 1 40 TYR 40 39 39 TYR TYR B . n B 1 41 PHE 41 40 40 PHE PHE B . n B 1 42 THR 42 41 41 THR THR B . n B 1 43 ILE 43 42 42 ILE ILE B . n B 1 44 TRP 44 43 43 TRP TRP B . n B 1 45 LEU 45 44 44 LEU LEU B . n B 1 46 ASN 46 45 45 ASN ASN B . n B 1 47 LEU 47 46 46 LEU LEU B . n B 1 48 GLU 48 47 47 GLU GLU B . n B 1 49 LEU 49 48 48 LEU LEU B . n B 1 50 LEU 50 49 49 LEU LEU B . n B 1 51 LEU 51 50 50 LEU LEU B . n B 1 52 PRO 52 51 51 PRO PRO B . n B 1 53 VAL 53 52 52 VAL VAL B . n B 1 54 ILE 54 53 53 ILE ILE B . n B 1 55 ILE 55 54 54 ILE ILE B . n B 1 56 ASP 56 55 55 ASP ASP B . n B 1 57 CYS 57 56 56 CYS CYS B . n B 1 58 TRP 58 57 57 TRP TRP B . n B 1 59 ILE 59 58 58 ILE ILE B . n B 1 60 ASP 60 59 59 ASP ASP B . n B 1 61 ASN 61 60 60 ASN ASN B . n B 1 62 ILE 62 61 61 ILE ILE B . n B 1 63 ARG 63 62 62 ARG ARG B . n B 1 64 LEU 64 63 63 LEU LEU B . n B 1 65 VAL 65 64 64 VAL VAL B . n B 1 66 TYR 66 65 65 TYR TYR B . n B 1 67 ASN 67 66 66 ASN ASN B . n B 1 68 LYS 68 67 67 LYS LYS B . n B 1 69 THR 69 68 68 THR THR B . n B 1 70 SER 70 69 69 SER SER B . n B 1 71 ARG 71 70 70 ARG ARG B . n B 1 72 ALA 72 71 71 ALA ALA B . n B 1 73 THR 73 72 72 THR THR B . n B 1 74 GLN 74 73 73 GLN GLN B . n B 1 75 PHE 75 74 74 PHE PHE B . n B 1 76 PRO 76 75 75 PRO PRO B . n B 1 77 ASP 77 76 76 ASP ASP B . n B 1 78 GLY 78 77 77 GLY GLY B . n B 1 79 VAL 79 78 78 VAL VAL B . n B 1 80 ASP 80 79 79 ASP ASP B . n B 1 81 VAL 81 80 80 VAL VAL B . n B 1 82 ARG 82 81 81 ARG ARG B . n B 1 83 VAL 83 82 82 VAL VAL B . n B 1 84 PRO 84 83 83 PRO PRO B . n B 1 85 GLY 85 84 84 GLY GLY B . n B 1 86 PHE 86 85 85 PHE PHE B . n B 1 87 GLY 87 86 86 GLY GLY B . n B 1 88 LYS 88 87 87 LYS LYS B . n B 1 89 THR 89 88 88 THR THR B . n B 1 90 PHE 90 89 89 PHE PHE B . n B 1 91 SER 91 90 90 SER SER B . n B 1 92 LEU 92 91 91 LEU LEU B . n B 1 93 GLU 93 92 92 GLU GLU B . n B 1 94 PHE 94 93 93 PHE PHE B . n B 1 95 LEU 95 94 94 LEU LEU B . n B 1 96 ASP 96 95 95 ASP ASP B . n B 1 97 PRO 97 96 96 PRO PRO B . n B 1 98 SER 98 97 97 SER SER B . n B 1 99 LYS 99 98 98 LYS LYS B . n B 1 100 SER 100 99 99 SER SER B . n B 1 101 SER 101 100 100 SER SER B . n B 1 102 VAL 102 101 101 VAL VAL B . n B 1 103 GLY 103 102 102 GLY GLY B . n B 1 104 SER 104 103 103 SER SER B . n B 1 105 TYR 105 104 104 TYR TYR B . n B 1 106 PHE 106 105 105 PHE PHE B . n B 1 107 HIS 107 106 106 HIS HIS B . n B 1 108 THR 108 107 107 THR THR B . n B 1 109 MET 109 108 108 MET MET B . n B 1 110 VAL 110 109 109 VAL VAL B . n B 1 111 GLU 111 110 110 GLU GLU B . n B 1 112 SER 112 111 111 SER SER B . n B 1 113 LEU 113 112 112 LEU LEU B . n B 1 114 VAL 114 113 113 VAL VAL B . n B 1 115 GLY 115 114 114 GLY GLY B . n B 1 116 TRP 116 115 115 TRP TRP B . n B 1 117 GLY 117 116 116 GLY GLY B . n B 1 118 TYR 118 117 117 TYR TYR B . n B 1 119 THR 119 118 118 THR THR B . n B 1 120 ARG 120 119 119 ARG ARG B . n B 1 121 GLY 121 120 120 GLY GLY B . n B 1 122 GLU 122 121 121 GLU GLU B . n B 1 123 ASP 123 122 122 ASP ASP B . n B 1 124 VAL 124 123 123 VAL VAL B . n B 1 125 ARG 125 124 124 ARG ARG B . n B 1 126 GLY 126 125 125 GLY GLY B . n B 1 127 ALA 127 126 126 ALA ALA B . n B 1 128 PRO 128 127 127 PRO PRO B . n B 1 129 TYR 129 128 128 TYR TYR B . n B 1 130 ASP 130 129 129 ASP ASP B . n B 1 131 TRP 131 130 130 TRP TRP B . n B 1 132 ARG 132 131 131 ARG ARG B . n B 1 133 ARG 133 132 132 ARG ARG B . n B 1 134 ALA 134 133 133 ALA ALA B . n B 1 135 PRO 135 134 134 PRO PRO B . n B 1 136 ASN 136 135 135 ASN ASN B . n B 1 137 GLU 137 136 136 GLU GLU B . n B 1 138 ASN 138 137 137 ASN ASN B . n B 1 139 GLY 139 138 138 GLY GLY B . n B 1 140 PRO 140 139 139 PRO PRO B . n B 1 141 TYR 141 140 140 TYR TYR B . n B 1 142 PHE 142 141 141 PHE PHE B . n B 1 143 LEU 143 142 142 LEU LEU B . n B 1 144 ALA 144 143 143 ALA ALA B . n B 1 145 LEU 145 144 144 LEU LEU B . n B 1 146 ARG 146 145 145 ARG ARG B . n B 1 147 GLU 147 146 146 GLU GLU B . n B 1 148 MET 148 147 147 MET MET B . n B 1 149 ILE 149 148 148 ILE ILE B . n B 1 150 GLU 150 149 149 GLU GLU B . n B 1 151 GLU 151 150 150 GLU GLU B . n B 1 152 MET 152 151 151 MET MET B . n B 1 153 TYR 153 152 152 TYR TYR B . n B 1 154 GLN 154 153 153 GLN GLN B . n B 1 155 LEU 155 154 154 LEU LEU B . n B 1 156 TYR 156 155 155 TYR TYR B . n B 1 157 GLY 157 156 156 GLY GLY B . n B 1 158 GLY 158 157 157 GLY GLY B . n B 1 159 PRO 159 158 158 PRO PRO B . n B 1 160 VAL 160 159 159 VAL VAL B . n B 1 161 VAL 161 160 160 VAL VAL B . n B 1 162 LEU 162 161 161 LEU LEU B . n B 1 163 VAL 163 162 162 VAL VAL B . n B 1 164 ALA 164 163 163 ALA ALA B . n B 1 165 HIS 165 164 164 HIS HIS B . n B 1 166 SER 166 165 165 SER SER B . n B 1 167 MET 167 166 166 MET MET B . n B 1 168 GLY 168 167 167 GLY GLY B . n B 1 169 ASN 169 168 168 ASN ASN B . n B 1 170 MET 170 169 169 MET MET B . n B 1 171 TYR 171 170 170 TYR TYR B . n B 1 172 THR 172 171 171 THR THR B . n B 1 173 LEU 173 172 172 LEU LEU B . n B 1 174 TYR 174 173 173 TYR TYR B . n B 1 175 PHE 175 174 174 PHE PHE B . n B 1 176 LEU 176 175 175 LEU LEU B . n B 1 177 GLN 177 176 176 GLN GLN B . n B 1 178 ARG 178 177 177 ARG ARG B . n B 1 179 GLN 179 178 178 GLN GLN B . n B 1 180 PRO 180 179 179 PRO PRO B . n B 1 181 GLN 181 180 180 GLN GLN B . n B 1 182 ALA 182 181 181 ALA ALA B . n B 1 183 TRP 183 182 182 TRP TRP B . n B 1 184 LYS 184 183 183 LYS LYS B . n B 1 185 ASP 185 184 184 ASP ASP B . n B 1 186 LYS 186 185 185 LYS LYS B . n B 1 187 TYR 187 186 186 TYR TYR B . n B 1 188 ILE 188 187 187 ILE ILE B . n B 1 189 ARG 189 188 188 ARG ARG B . n B 1 190 ALA 190 189 189 ALA ALA B . n B 1 191 PHE 191 190 190 PHE PHE B . n B 1 192 VAL 192 191 191 VAL VAL B . n B 1 193 SER 193 192 192 SER SER B . n B 1 194 LEU 194 193 193 LEU LEU B . n B 1 195 GLY 195 194 194 GLY GLY B . n B 1 196 ALA 196 195 195 ALA ALA B . n B 1 197 PRO 197 196 196 PRO PRO B . n B 1 198 TRP 198 197 197 TRP TRP B . n B 1 199 GLY 199 198 198 GLY GLY B . n B 1 200 GLY 200 199 199 GLY GLY B . n B 1 201 VAL 201 200 200 VAL VAL B . n B 1 202 ALA 202 201 201 ALA ALA B . n B 1 203 LYS 203 202 202 LYS LYS B . n B 1 204 THR 204 203 203 THR THR B . n B 1 205 LEU 205 204 204 LEU LEU B . n B 1 206 ARG 206 205 205 ARG ARG B . n B 1 207 VAL 207 206 206 VAL VAL B . n B 1 208 LEU 208 207 207 LEU LEU B . n B 1 209 ALA 209 208 208 ALA ALA B . n B 1 210 SER 210 209 209 SER SER B . n B 1 211 GLY 211 210 210 GLY GLY B . n B 1 212 ASP 212 211 211 ASP ASP B . n B 1 213 ASN 213 212 212 ASN ASN B . n B 1 214 ASN 214 213 213 ASN ASN B . n B 1 215 ARG 215 214 214 ARG ARG B . n B 1 216 ILE 216 215 215 ILE ILE B . n B 1 217 PRO 217 216 216 PRO PRO B . n B 1 218 VAL 218 217 217 VAL VAL B . n B 1 219 ILE 219 218 218 ILE ILE B . n B 1 220 GLY 220 219 219 GLY GLY B . n B 1 221 PRO 221 220 220 PRO PRO B . n B 1 222 LEU 222 221 221 LEU LEU B . n B 1 223 LYS 223 222 222 LYS LYS B . n B 1 224 ILE 224 223 223 ILE ILE B . n B 1 225 ARG 225 224 224 ARG ARG B . n B 1 226 GLU 226 225 225 GLU GLU B . n B 1 227 GLN 227 226 226 GLN GLN B . n B 1 228 GLN 228 227 227 GLN GLN B . n B 1 229 ARG 229 228 228 ARG ARG B . n B 1 230 SER 230 229 229 SER SER B . n B 1 231 ALA 231 230 230 ALA ALA B . n B 1 232 VAL 232 231 231 VAL VAL B . n B 1 233 SER 233 232 232 SER SER B . n B 1 234 THR 234 233 233 THR THR B . n B 1 235 SER 235 234 234 SER SER B . n B 1 236 TRP 236 235 235 TRP TRP B . n B 1 237 LEU 237 236 236 LEU LEU B . n B 1 238 LEU 238 237 237 LEU LEU B . n B 1 239 PRO 239 238 238 PRO PRO B . n B 1 240 TYR 240 239 239 TYR TYR B . n B 1 241 ASN 241 240 240 ASN ASN B . n B 1 242 TYR 242 241 241 TYR TYR B . n B 1 243 THR 243 242 242 THR THR B . n B 1 244 TRP 244 243 243 TRP TRP B . n B 1 245 SER 245 244 244 SER SER B . n B 1 246 PRO 246 245 245 PRO PRO B . n B 1 247 GLU 247 246 246 GLU GLU B . n B 1 248 LYS 248 247 247 LYS LYS B . n B 1 249 VAL 249 248 248 VAL VAL B . n B 1 250 PHE 250 249 249 PHE PHE B . n B 1 251 VAL 251 250 250 VAL VAL B . n B 1 252 GLN 252 251 251 GLN GLN B . n B 1 253 THR 253 252 252 THR THR B . n B 1 254 PRO 254 253 253 PRO PRO B . n B 1 255 THR 255 254 254 THR THR B . n B 1 256 ILE 256 255 255 ILE ILE B . n B 1 257 ASN 257 256 256 ASN ASN B . n B 1 258 TYR 258 257 257 TYR TYR B . n B 1 259 THR 259 258 258 THR THR B . n B 1 260 LEU 260 259 259 LEU LEU B . n B 1 261 ARG 261 260 260 ARG ARG B . n B 1 262 ASP 262 261 261 ASP ASP B . n B 1 263 TYR 263 262 262 TYR TYR B . n B 1 264 ARG 264 263 263 ARG ARG B . n B 1 265 LYS 265 264 264 LYS LYS B . n B 1 266 PHE 266 265 265 PHE PHE B . n B 1 267 PHE 267 266 266 PHE PHE B . n B 1 268 GLN 268 267 267 GLN GLN B . n B 1 269 ASP 269 268 268 ASP ASP B . n B 1 270 ILE 270 269 269 ILE ILE B . n B 1 271 GLY 271 270 270 GLY GLY B . n B 1 272 PHE 272 271 271 PHE PHE B . n B 1 273 GLU 273 272 272 GLU GLU B . n B 1 274 ASP 274 273 273 ASP ASP B . n B 1 275 GLY 275 274 274 GLY GLY B . n B 1 276 TRP 276 275 275 TRP TRP B . n B 1 277 LEU 277 276 276 LEU LEU B . n B 1 278 MET 278 277 277 MET MET B . n B 1 279 ARG 279 278 278 ARG ARG B . n B 1 280 GLN 280 279 279 GLN GLN B . n B 1 281 ASP 281 280 280 ASP ASP B . n B 1 282 THR 282 281 281 THR THR B . n B 1 283 GLU 283 282 282 GLU GLU B . n B 1 284 GLY 284 283 283 GLY GLY B . n B 1 285 LEU 285 284 284 LEU LEU B . n B 1 286 VAL 286 285 285 VAL VAL B . n B 1 287 GLU 287 286 286 GLU GLU B . n B 1 288 ALA 288 287 287 ALA ALA B . n B 1 289 THR 289 288 288 THR THR B . n B 1 290 MET 290 289 289 MET MET B . n B 1 291 PRO 291 290 290 PRO PRO B . n B 1 292 PRO 292 291 291 PRO PRO B . n B 1 293 GLY 293 292 292 GLY GLY B . n B 1 294 VAL 294 293 293 VAL VAL B . n B 1 295 GLN 295 294 294 GLN GLN B . n B 1 296 LEU 296 295 295 LEU LEU B . n B 1 297 HIS 297 296 296 HIS HIS B . n B 1 298 CYS 298 297 297 CYS CYS B . n B 1 299 LEU 299 298 298 LEU LEU B . n B 1 300 TYR 300 299 299 TYR TYR B . n B 1 301 GLY 301 300 300 GLY GLY B . n B 1 302 THR 302 301 301 THR THR B . n B 1 303 GLY 303 302 302 GLY GLY B . n B 1 304 VAL 304 303 303 VAL VAL B . n B 1 305 PRO 305 304 304 PRO PRO B . n B 1 306 THR 306 305 305 THR THR B . n B 1 307 PRO 307 306 306 PRO PRO B . n B 1 308 ASP 308 307 307 ASP ASP B . n B 1 309 SER 309 308 308 SER SER B . n B 1 310 PHE 310 309 309 PHE PHE B . n B 1 311 TYR 311 310 310 TYR TYR B . n B 1 312 TYR 312 311 311 TYR TYR B . n B 1 313 GLU 313 312 312 GLU GLU B . n B 1 314 SER 314 313 313 SER SER B . n B 1 315 PHE 315 314 314 PHE PHE B . n B 1 316 PRO 316 315 315 PRO PRO B . n B 1 317 ASP 317 316 316 ASP ASP B . n B 1 318 ARG 318 317 317 ARG ARG B . n B 1 319 ASP 319 318 318 ASP ASP B . n B 1 320 PRO 320 319 319 PRO PRO B . n B 1 321 LYS 321 320 320 LYS LYS B . n B 1 322 ILE 322 321 321 ILE ILE B . n B 1 323 CYS 323 322 322 CYS CYS B . n B 1 324 PHE 324 323 323 PHE PHE B . n B 1 325 GLY 325 324 324 GLY GLY B . n B 1 326 ASP 326 325 325 ASP ASP B . n B 1 327 GLY 327 326 326 GLY GLY B . n B 1 328 ASP 328 327 327 ASP ASP B . n B 1 329 GLY 329 328 328 GLY GLY B . n B 1 330 THR 330 329 329 THR THR B . n B 1 331 VAL 331 330 330 VAL VAL B . n B 1 332 ASN 332 331 331 ASN ASN B . n B 1 333 LEU 333 332 332 LEU LEU B . n B 1 334 LYS 334 333 333 LYS LYS B . n B 1 335 SER 335 334 334 SER SER B . n B 1 336 ALA 336 335 335 ALA ALA B . n B 1 337 LEU 337 336 336 LEU LEU B . n B 1 338 GLN 338 337 337 GLN GLN B . n B 1 339 CYS 339 338 338 CYS CYS B . n B 1 340 GLN 340 339 339 GLN GLN B . n B 1 341 ALA 341 340 340 ALA ALA B . n B 1 342 TRP 342 341 341 TRP TRP B . n B 1 343 GLN 343 342 342 GLN GLN B . n B 1 344 SER 344 343 343 SER SER B . n B 1 345 ARG 345 344 344 ARG ARG B . n B 1 346 GLN 346 345 345 GLN GLN B . n B 1 347 GLU 347 346 346 GLU GLU B . n B 1 348 HIS 348 347 347 HIS HIS B . n B 1 349 GLN 349 348 348 GLN GLN B . n B 1 350 VAL 350 349 349 VAL VAL B . n B 1 351 LEU 351 350 350 LEU LEU B . n B 1 352 LEU 352 351 351 LEU LEU B . n B 1 353 GLN 353 352 352 GLN GLN B . n B 1 354 GLU 354 353 353 GLU GLU B . n B 1 355 LEU 355 354 354 LEU LEU B . n B 1 356 PRO 356 355 355 PRO PRO B . n B 1 357 GLY 357 356 356 GLY GLY B . n B 1 358 SER 358 357 357 SER SER B . n B 1 359 GLU 359 358 358 GLU GLU B . n B 1 360 HIS 360 359 359 HIS HIS B . n B 1 361 ILE 361 360 360 ILE ILE B . n B 1 362 GLU 362 361 361 GLU GLU B . n B 1 363 MET 363 362 362 MET MET B . n B 1 364 LEU 364 363 363 LEU LEU B . n B 1 365 ALA 365 364 364 ALA ALA B . n B 1 366 ASN 366 365 365 ASN ASN B . n B 1 367 ALA 367 366 366 ALA ALA B . n B 1 368 THR 368 367 367 THR THR B . n B 1 369 THR 369 368 368 THR THR B . n B 1 370 LEU 370 369 369 LEU LEU B . n B 1 371 ALA 371 370 370 ALA ALA B . n B 1 372 TYR 372 371 371 TYR TYR B . n B 1 373 LEU 373 372 372 LEU LEU B . n B 1 374 LYS 374 373 373 LYS LYS B . n B 1 375 ARG 375 374 374 ARG ARG B . n B 1 376 VAL 376 375 375 VAL VAL B . n B 1 377 LEU 377 376 376 LEU LEU B . n B 1 378 LEU 378 377 377 LEU LEU B . n B 1 379 GLY 379 378 378 GLY GLY B . n B 1 380 PRO 380 379 379 PRO PRO B . n C 1 1 GLY 1 0 ? ? ? C . n C 1 2 ALA 2 1 ? ? ? C . n C 1 3 GLY 3 2 ? ? ? C . n C 1 4 ARG 4 3 ? ? ? C . n C 1 5 HIS 5 4 4 HIS HIS C . n C 1 6 PRO 6 5 5 PRO PRO C . n C 1 7 PRO 7 6 6 PRO PRO C . n C 1 8 VAL 8 7 7 VAL VAL C . n C 1 9 VAL 9 8 8 VAL VAL C . n C 1 10 LEU 10 9 9 LEU LEU C . n C 1 11 VAL 11 10 10 VAL VAL C . n C 1 12 PRO 12 11 11 PRO PRO C . n C 1 13 GLY 13 12 12 GLY GLY C . n C 1 14 ASP 14 13 13 ASP ASP C . n C 1 15 LEU 15 14 14 LEU LEU C . n C 1 16 GLY 16 15 15 GLY GLY C . n C 1 17 ASN 17 16 16 ASN ASN C . n C 1 18 GLN 18 17 17 GLN GLN C . n C 1 19 LEU 19 18 18 LEU LEU C . n C 1 20 GLU 20 19 19 GLU GLU C . n C 1 21 ALA 21 20 20 ALA ALA C . n C 1 22 LYS 22 21 21 LYS LYS C . n C 1 23 LEU 23 22 22 LEU LEU C . n C 1 24 ASP 24 23 23 ASP ASP C . n C 1 25 LYS 25 24 24 LYS LYS C . n C 1 26 PRO 26 25 25 PRO PRO C . n C 1 27 THR 27 26 26 THR THR C . n C 1 28 VAL 28 27 27 VAL VAL C . n C 1 29 VAL 29 28 28 VAL VAL C . n C 1 30 HIS 30 29 29 HIS HIS C . n C 1 31 TYR 31 30 30 TYR TYR C . n C 1 32 LEU 32 31 31 LEU LEU C . n C 1 33 CYS 33 32 32 CYS CYS C . n C 1 34 SER 34 33 33 SER SER C . n C 1 35 LYS 35 34 34 LYS LYS C . n C 1 36 LYS 36 35 35 LYS LYS C . n C 1 37 THR 37 36 36 THR THR C . n C 1 38 GLU 38 37 37 GLU GLU C . n C 1 39 SER 39 38 38 SER SER C . n C 1 40 TYR 40 39 39 TYR TYR C . n C 1 41 PHE 41 40 40 PHE PHE C . n C 1 42 THR 42 41 41 THR THR C . n C 1 43 ILE 43 42 42 ILE ILE C . n C 1 44 TRP 44 43 43 TRP TRP C . n C 1 45 LEU 45 44 44 LEU LEU C . n C 1 46 ASN 46 45 45 ASN ASN C . n C 1 47 LEU 47 46 46 LEU LEU C . n C 1 48 GLU 48 47 47 GLU GLU C . n C 1 49 LEU 49 48 48 LEU LEU C . n C 1 50 LEU 50 49 49 LEU LEU C . n C 1 51 LEU 51 50 50 LEU LEU C . n C 1 52 PRO 52 51 51 PRO PRO C . n C 1 53 VAL 53 52 52 VAL VAL C . n C 1 54 ILE 54 53 53 ILE ILE C . n C 1 55 ILE 55 54 54 ILE ILE C . n C 1 56 ASP 56 55 55 ASP ASP C . n C 1 57 CYS 57 56 56 CYS CYS C . n C 1 58 TRP 58 57 57 TRP TRP C . n C 1 59 ILE 59 58 58 ILE ILE C . n C 1 60 ASP 60 59 59 ASP ASP C . n C 1 61 ASN 61 60 60 ASN ASN C . n C 1 62 ILE 62 61 61 ILE ILE C . n C 1 63 ARG 63 62 62 ARG ARG C . n C 1 64 LEU 64 63 63 LEU LEU C . n C 1 65 VAL 65 64 64 VAL VAL C . n C 1 66 TYR 66 65 65 TYR TYR C . n C 1 67 ASN 67 66 66 ASN ASN C . n C 1 68 LYS 68 67 67 LYS LYS C . n C 1 69 THR 69 68 68 THR THR C . n C 1 70 SER 70 69 69 SER SER C . n C 1 71 ARG 71 70 70 ARG ARG C . n C 1 72 ALA 72 71 71 ALA ALA C . n C 1 73 THR 73 72 72 THR THR C . n C 1 74 GLN 74 73 73 GLN GLN C . n C 1 75 PHE 75 74 74 PHE PHE C . n C 1 76 PRO 76 75 75 PRO PRO C . n C 1 77 ASP 77 76 76 ASP ASP C . n C 1 78 GLY 78 77 77 GLY GLY C . n C 1 79 VAL 79 78 78 VAL VAL C . n C 1 80 ASP 80 79 79 ASP ASP C . n C 1 81 VAL 81 80 80 VAL VAL C . n C 1 82 ARG 82 81 81 ARG ARG C . n C 1 83 VAL 83 82 82 VAL VAL C . n C 1 84 PRO 84 83 83 PRO PRO C . n C 1 85 GLY 85 84 84 GLY GLY C . n C 1 86 PHE 86 85 85 PHE PHE C . n C 1 87 GLY 87 86 86 GLY GLY C . n C 1 88 LYS 88 87 87 LYS LYS C . n C 1 89 THR 89 88 88 THR THR C . n C 1 90 PHE 90 89 89 PHE PHE C . n C 1 91 SER 91 90 90 SER SER C . n C 1 92 LEU 92 91 91 LEU LEU C . n C 1 93 GLU 93 92 92 GLU GLU C . n C 1 94 PHE 94 93 93 PHE PHE C . n C 1 95 LEU 95 94 94 LEU LEU C . n C 1 96 ASP 96 95 95 ASP ASP C . n C 1 97 PRO 97 96 96 PRO PRO C . n C 1 98 SER 98 97 97 SER SER C . n C 1 99 LYS 99 98 98 LYS LYS C . n C 1 100 SER 100 99 99 SER SER C . n C 1 101 SER 101 100 100 SER SER C . n C 1 102 VAL 102 101 101 VAL VAL C . n C 1 103 GLY 103 102 102 GLY GLY C . n C 1 104 SER 104 103 103 SER SER C . n C 1 105 TYR 105 104 104 TYR TYR C . n C 1 106 PHE 106 105 105 PHE PHE C . n C 1 107 HIS 107 106 106 HIS HIS C . n C 1 108 THR 108 107 107 THR THR C . n C 1 109 MET 109 108 108 MET MET C . n C 1 110 VAL 110 109 109 VAL VAL C . n C 1 111 GLU 111 110 110 GLU GLU C . n C 1 112 SER 112 111 111 SER SER C . n C 1 113 LEU 113 112 112 LEU LEU C . n C 1 114 VAL 114 113 113 VAL VAL C . n C 1 115 GLY 115 114 114 GLY GLY C . n C 1 116 TRP 116 115 115 TRP TRP C . n C 1 117 GLY 117 116 116 GLY GLY C . n C 1 118 TYR 118 117 117 TYR TYR C . n C 1 119 THR 119 118 118 THR THR C . n C 1 120 ARG 120 119 119 ARG ARG C . n C 1 121 GLY 121 120 120 GLY GLY C . n C 1 122 GLU 122 121 121 GLU GLU C . n C 1 123 ASP 123 122 122 ASP ASP C . n C 1 124 VAL 124 123 123 VAL VAL C . n C 1 125 ARG 125 124 124 ARG ARG C . n C 1 126 GLY 126 125 125 GLY GLY C . n C 1 127 ALA 127 126 126 ALA ALA C . n C 1 128 PRO 128 127 127 PRO PRO C . n C 1 129 TYR 129 128 128 TYR TYR C . n C 1 130 ASP 130 129 129 ASP ASP C . n C 1 131 TRP 131 130 130 TRP TRP C . n C 1 132 ARG 132 131 131 ARG ARG C . n C 1 133 ARG 133 132 132 ARG ARG C . n C 1 134 ALA 134 133 133 ALA ALA C . n C 1 135 PRO 135 134 134 PRO PRO C . n C 1 136 ASN 136 135 135 ASN ASN C . n C 1 137 GLU 137 136 136 GLU GLU C . n C 1 138 ASN 138 137 137 ASN ASN C . n C 1 139 GLY 139 138 138 GLY GLY C . n C 1 140 PRO 140 139 139 PRO PRO C . n C 1 141 TYR 141 140 140 TYR TYR C . n C 1 142 PHE 142 141 141 PHE PHE C . n C 1 143 LEU 143 142 142 LEU LEU C . n C 1 144 ALA 144 143 143 ALA ALA C . n C 1 145 LEU 145 144 144 LEU LEU C . n C 1 146 ARG 146 145 145 ARG ARG C . n C 1 147 GLU 147 146 146 GLU GLU C . n C 1 148 MET 148 147 147 MET MET C . n C 1 149 ILE 149 148 148 ILE ILE C . n C 1 150 GLU 150 149 149 GLU GLU C . n C 1 151 GLU 151 150 150 GLU GLU C . n C 1 152 MET 152 151 151 MET MET C . n C 1 153 TYR 153 152 152 TYR TYR C . n C 1 154 GLN 154 153 153 GLN GLN C . n C 1 155 LEU 155 154 154 LEU LEU C . n C 1 156 TYR 156 155 155 TYR TYR C . n C 1 157 GLY 157 156 156 GLY GLY C . n C 1 158 GLY 158 157 157 GLY GLY C . n C 1 159 PRO 159 158 158 PRO PRO C . n C 1 160 VAL 160 159 159 VAL VAL C . n C 1 161 VAL 161 160 160 VAL VAL C . n C 1 162 LEU 162 161 161 LEU LEU C . n C 1 163 VAL 163 162 162 VAL VAL C . n C 1 164 ALA 164 163 163 ALA ALA C . n C 1 165 HIS 165 164 164 HIS HIS C . n C 1 166 SER 166 165 165 SER SER C . n C 1 167 MET 167 166 166 MET MET C . n C 1 168 GLY 168 167 167 GLY GLY C . n C 1 169 ASN 169 168 168 ASN ASN C . n C 1 170 MET 170 169 169 MET MET C . n C 1 171 TYR 171 170 170 TYR TYR C . n C 1 172 THR 172 171 171 THR THR C . n C 1 173 LEU 173 172 172 LEU LEU C . n C 1 174 TYR 174 173 173 TYR TYR C . n C 1 175 PHE 175 174 174 PHE PHE C . n C 1 176 LEU 176 175 175 LEU LEU C . n C 1 177 GLN 177 176 176 GLN GLN C . n C 1 178 ARG 178 177 177 ARG ARG C . n C 1 179 GLN 179 178 178 GLN GLN C . n C 1 180 PRO 180 179 179 PRO PRO C . n C 1 181 GLN 181 180 180 GLN GLN C . n C 1 182 ALA 182 181 181 ALA ALA C . n C 1 183 TRP 183 182 182 TRP TRP C . n C 1 184 LYS 184 183 183 LYS LYS C . n C 1 185 ASP 185 184 184 ASP ASP C . n C 1 186 LYS 186 185 185 LYS LYS C . n C 1 187 TYR 187 186 186 TYR TYR C . n C 1 188 ILE 188 187 187 ILE ILE C . n C 1 189 ARG 189 188 188 ARG ARG C . n C 1 190 ALA 190 189 189 ALA ALA C . n C 1 191 PHE 191 190 190 PHE PHE C . n C 1 192 VAL 192 191 191 VAL VAL C . n C 1 193 SER 193 192 192 SER SER C . n C 1 194 LEU 194 193 193 LEU LEU C . n C 1 195 GLY 195 194 194 GLY GLY C . n C 1 196 ALA 196 195 195 ALA ALA C . n C 1 197 PRO 197 196 196 PRO PRO C . n C 1 198 TRP 198 197 197 TRP TRP C . n C 1 199 GLY 199 198 198 GLY GLY C . n C 1 200 GLY 200 199 199 GLY GLY C . n C 1 201 VAL 201 200 200 VAL VAL C . n C 1 202 ALA 202 201 201 ALA ALA C . n C 1 203 LYS 203 202 202 LYS LYS C . n C 1 204 THR 204 203 203 THR THR C . n C 1 205 LEU 205 204 204 LEU LEU C . n C 1 206 ARG 206 205 205 ARG ARG C . n C 1 207 VAL 207 206 206 VAL VAL C . n C 1 208 LEU 208 207 207 LEU LEU C . n C 1 209 ALA 209 208 208 ALA ALA C . n C 1 210 SER 210 209 209 SER SER C . n C 1 211 GLY 211 210 210 GLY GLY C . n C 1 212 ASP 212 211 211 ASP ASP C . n C 1 213 ASN 213 212 212 ASN ASN C . n C 1 214 ASN 214 213 213 ASN ASN C . n C 1 215 ARG 215 214 214 ARG ARG C . n C 1 216 ILE 216 215 215 ILE ILE C . n C 1 217 PRO 217 216 216 PRO PRO C . n C 1 218 VAL 218 217 217 VAL VAL C . n C 1 219 ILE 219 218 218 ILE ILE C . n C 1 220 GLY 220 219 219 GLY GLY C . n C 1 221 PRO 221 220 220 PRO PRO C . n C 1 222 LEU 222 221 221 LEU LEU C . n C 1 223 LYS 223 222 222 LYS LYS C . n C 1 224 ILE 224 223 223 ILE ILE C . n C 1 225 ARG 225 224 224 ARG ARG C . n C 1 226 GLU 226 225 225 GLU GLU C . n C 1 227 GLN 227 226 226 GLN GLN C . n C 1 228 GLN 228 227 227 GLN GLN C . n C 1 229 ARG 229 228 228 ARG ARG C . n C 1 230 SER 230 229 229 SER SER C . n C 1 231 ALA 231 230 230 ALA ALA C . n C 1 232 VAL 232 231 231 VAL VAL C . n C 1 233 SER 233 232 232 SER SER C . n C 1 234 THR 234 233 233 THR THR C . n C 1 235 SER 235 234 234 SER SER C . n C 1 236 TRP 236 235 235 TRP TRP C . n C 1 237 LEU 237 236 236 LEU LEU C . n C 1 238 LEU 238 237 237 LEU LEU C . n C 1 239 PRO 239 238 238 PRO PRO C . n C 1 240 TYR 240 239 239 TYR TYR C . n C 1 241 ASN 241 240 240 ASN ASN C . n C 1 242 TYR 242 241 241 TYR TYR C . n C 1 243 THR 243 242 242 THR THR C . n C 1 244 TRP 244 243 243 TRP TRP C . n C 1 245 SER 245 244 244 SER SER C . n C 1 246 PRO 246 245 245 PRO PRO C . n C 1 247 GLU 247 246 246 GLU GLU C . n C 1 248 LYS 248 247 247 LYS LYS C . n C 1 249 VAL 249 248 248 VAL VAL C . n C 1 250 PHE 250 249 249 PHE PHE C . n C 1 251 VAL 251 250 250 VAL VAL C . n C 1 252 GLN 252 251 251 GLN GLN C . n C 1 253 THR 253 252 252 THR THR C . n C 1 254 PRO 254 253 253 PRO PRO C . n C 1 255 THR 255 254 254 THR THR C . n C 1 256 ILE 256 255 255 ILE ILE C . n C 1 257 ASN 257 256 256 ASN ASN C . n C 1 258 TYR 258 257 257 TYR TYR C . n C 1 259 THR 259 258 258 THR THR C . n C 1 260 LEU 260 259 259 LEU LEU C . n C 1 261 ARG 261 260 260 ARG ARG C . n C 1 262 ASP 262 261 261 ASP ASP C . n C 1 263 TYR 263 262 262 TYR TYR C . n C 1 264 ARG 264 263 263 ARG ARG C . n C 1 265 LYS 265 264 264 LYS LYS C . n C 1 266 PHE 266 265 265 PHE PHE C . n C 1 267 PHE 267 266 266 PHE PHE C . n C 1 268 GLN 268 267 267 GLN GLN C . n C 1 269 ASP 269 268 268 ASP ASP C . n C 1 270 ILE 270 269 269 ILE ILE C . n C 1 271 GLY 271 270 270 GLY GLY C . n C 1 272 PHE 272 271 271 PHE PHE C . n C 1 273 GLU 273 272 272 GLU GLU C . n C 1 274 ASP 274 273 273 ASP ASP C . n C 1 275 GLY 275 274 274 GLY GLY C . n C 1 276 TRP 276 275 275 TRP TRP C . n C 1 277 LEU 277 276 276 LEU LEU C . n C 1 278 MET 278 277 277 MET MET C . n C 1 279 ARG 279 278 278 ARG ARG C . n C 1 280 GLN 280 279 279 GLN GLN C . n C 1 281 ASP 281 280 280 ASP ASP C . n C 1 282 THR 282 281 281 THR THR C . n C 1 283 GLU 283 282 282 GLU GLU C . n C 1 284 GLY 284 283 283 GLY GLY C . n C 1 285 LEU 285 284 284 LEU LEU C . n C 1 286 VAL 286 285 285 VAL VAL C . n C 1 287 GLU 287 286 286 GLU GLU C . n C 1 288 ALA 288 287 287 ALA ALA C . n C 1 289 THR 289 288 288 THR THR C . n C 1 290 MET 290 289 289 MET MET C . n C 1 291 PRO 291 290 290 PRO PRO C . n C 1 292 PRO 292 291 291 PRO PRO C . n C 1 293 GLY 293 292 292 GLY GLY C . n C 1 294 VAL 294 293 293 VAL VAL C . n C 1 295 GLN 295 294 294 GLN GLN C . n C 1 296 LEU 296 295 295 LEU LEU C . n C 1 297 HIS 297 296 296 HIS HIS C . n C 1 298 CYS 298 297 297 CYS CYS C . n C 1 299 LEU 299 298 298 LEU LEU C . n C 1 300 TYR 300 299 299 TYR TYR C . n C 1 301 GLY 301 300 300 GLY GLY C . n C 1 302 THR 302 301 301 THR THR C . n C 1 303 GLY 303 302 302 GLY GLY C . n C 1 304 VAL 304 303 303 VAL VAL C . n C 1 305 PRO 305 304 304 PRO PRO C . n C 1 306 THR 306 305 305 THR THR C . n C 1 307 PRO 307 306 306 PRO PRO C . n C 1 308 ASP 308 307 307 ASP ASP C . n C 1 309 SER 309 308 308 SER SER C . n C 1 310 PHE 310 309 309 PHE PHE C . n C 1 311 TYR 311 310 310 TYR TYR C . n C 1 312 TYR 312 311 311 TYR TYR C . n C 1 313 GLU 313 312 312 GLU GLU C . n C 1 314 SER 314 313 313 SER SER C . n C 1 315 PHE 315 314 314 PHE PHE C . n C 1 316 PRO 316 315 315 PRO PRO C . n C 1 317 ASP 317 316 316 ASP ASP C . n C 1 318 ARG 318 317 317 ARG ARG C . n C 1 319 ASP 319 318 318 ASP ASP C . n C 1 320 PRO 320 319 319 PRO PRO C . n C 1 321 LYS 321 320 320 LYS LYS C . n C 1 322 ILE 322 321 321 ILE ILE C . n C 1 323 CYS 323 322 322 CYS CYS C . n C 1 324 PHE 324 323 323 PHE PHE C . n C 1 325 GLY 325 324 324 GLY GLY C . n C 1 326 ASP 326 325 325 ASP ASP C . n C 1 327 GLY 327 326 326 GLY GLY C . n C 1 328 ASP 328 327 327 ASP ASP C . n C 1 329 GLY 329 328 328 GLY GLY C . n C 1 330 THR 330 329 329 THR THR C . n C 1 331 VAL 331 330 330 VAL VAL C . n C 1 332 ASN 332 331 331 ASN ASN C . n C 1 333 LEU 333 332 332 LEU LEU C . n C 1 334 LYS 334 333 333 LYS LYS C . n C 1 335 SER 335 334 334 SER SER C . n C 1 336 ALA 336 335 335 ALA ALA C . n C 1 337 LEU 337 336 336 LEU LEU C . n C 1 338 GLN 338 337 337 GLN GLN C . n C 1 339 CYS 339 338 338 CYS CYS C . n C 1 340 GLN 340 339 339 GLN GLN C . n C 1 341 ALA 341 340 340 ALA ALA C . n C 1 342 TRP 342 341 341 TRP TRP C . n C 1 343 GLN 343 342 342 GLN GLN C . n C 1 344 SER 344 343 343 SER SER C . n C 1 345 ARG 345 344 344 ARG ARG C . n C 1 346 GLN 346 345 345 GLN GLN C . n C 1 347 GLU 347 346 346 GLU GLU C . n C 1 348 HIS 348 347 347 HIS HIS C . n C 1 349 GLN 349 348 348 GLN GLN C . n C 1 350 VAL 350 349 349 VAL VAL C . n C 1 351 LEU 351 350 350 LEU LEU C . n C 1 352 LEU 352 351 351 LEU LEU C . n C 1 353 GLN 353 352 352 GLN GLN C . n C 1 354 GLU 354 353 353 GLU GLU C . n C 1 355 LEU 355 354 354 LEU LEU C . n C 1 356 PRO 356 355 355 PRO PRO C . n C 1 357 GLY 357 356 356 GLY GLY C . n C 1 358 SER 358 357 357 SER SER C . n C 1 359 GLU 359 358 358 GLU GLU C . n C 1 360 HIS 360 359 359 HIS HIS C . n C 1 361 ILE 361 360 360 ILE ILE C . n C 1 362 GLU 362 361 361 GLU GLU C . n C 1 363 MET 363 362 362 MET MET C . n C 1 364 LEU 364 363 363 LEU LEU C . n C 1 365 ALA 365 364 364 ALA ALA C . n C 1 366 ASN 366 365 365 ASN ASN C . n C 1 367 ALA 367 366 366 ALA ALA C . n C 1 368 THR 368 367 367 THR THR C . n C 1 369 THR 369 368 368 THR THR C . n C 1 370 LEU 370 369 369 LEU LEU C . n C 1 371 ALA 371 370 370 ALA ALA C . n C 1 372 TYR 372 371 371 TYR TYR C . n C 1 373 LEU 373 372 372 LEU LEU C . n C 1 374 LYS 374 373 373 LYS LYS C . n C 1 375 ARG 375 374 374 ARG ARG C . n C 1 376 VAL 376 375 375 VAL VAL C . n C 1 377 LEU 377 376 376 LEU LEU C . n C 1 378 LEU 378 377 377 LEU LEU C . n C 1 379 GLY 379 378 378 GLY GLY C . n C 1 380 PRO 380 379 379 PRO PRO C . n D 1 1 GLY 1 0 ? ? ? D . n D 1 2 ALA 2 1 ? ? ? D . n D 1 3 GLY 3 2 ? ? ? D . n D 1 4 ARG 4 3 ? ? ? D . n D 1 5 HIS 5 4 4 HIS HIS D . n D 1 6 PRO 6 5 5 PRO PRO D . n D 1 7 PRO 7 6 6 PRO PRO D . n D 1 8 VAL 8 7 7 VAL VAL D . n D 1 9 VAL 9 8 8 VAL VAL D . n D 1 10 LEU 10 9 9 LEU LEU D . n D 1 11 VAL 11 10 10 VAL VAL D . n D 1 12 PRO 12 11 11 PRO PRO D . n D 1 13 GLY 13 12 12 GLY GLY D . n D 1 14 ASP 14 13 13 ASP ASP D . n D 1 15 LEU 15 14 14 LEU LEU D . n D 1 16 GLY 16 15 15 GLY GLY D . n D 1 17 ASN 17 16 16 ASN ASN D . n D 1 18 GLN 18 17 17 GLN GLN D . n D 1 19 LEU 19 18 18 LEU LEU D . n D 1 20 GLU 20 19 19 GLU GLU D . n D 1 21 ALA 21 20 20 ALA ALA D . n D 1 22 LYS 22 21 21 LYS LYS D . n D 1 23 LEU 23 22 22 LEU LEU D . n D 1 24 ASP 24 23 23 ASP ASP D . n D 1 25 LYS 25 24 24 LYS LYS D . n D 1 26 PRO 26 25 25 PRO PRO D . n D 1 27 THR 27 26 26 THR THR D . n D 1 28 VAL 28 27 27 VAL VAL D . n D 1 29 VAL 29 28 28 VAL VAL D . n D 1 30 HIS 30 29 29 HIS HIS D . n D 1 31 TYR 31 30 30 TYR TYR D . n D 1 32 LEU 32 31 31 LEU LEU D . n D 1 33 CYS 33 32 32 CYS CYS D . n D 1 34 SER 34 33 33 SER SER D . n D 1 35 LYS 35 34 34 LYS LYS D . n D 1 36 LYS 36 35 35 LYS LYS D . n D 1 37 THR 37 36 36 THR THR D . n D 1 38 GLU 38 37 37 GLU GLU D . n D 1 39 SER 39 38 38 SER SER D . n D 1 40 TYR 40 39 39 TYR TYR D . n D 1 41 PHE 41 40 40 PHE PHE D . n D 1 42 THR 42 41 41 THR THR D . n D 1 43 ILE 43 42 42 ILE ILE D . n D 1 44 TRP 44 43 43 TRP TRP D . n D 1 45 LEU 45 44 44 LEU LEU D . n D 1 46 ASN 46 45 45 ASN ASN D . n D 1 47 LEU 47 46 46 LEU LEU D . n D 1 48 GLU 48 47 47 GLU GLU D . n D 1 49 LEU 49 48 48 LEU LEU D . n D 1 50 LEU 50 49 49 LEU LEU D . n D 1 51 LEU 51 50 50 LEU LEU D . n D 1 52 PRO 52 51 51 PRO PRO D . n D 1 53 VAL 53 52 52 VAL VAL D . n D 1 54 ILE 54 53 53 ILE ILE D . n D 1 55 ILE 55 54 54 ILE ILE D . n D 1 56 ASP 56 55 55 ASP ASP D . n D 1 57 CYS 57 56 56 CYS CYS D . n D 1 58 TRP 58 57 57 TRP TRP D . n D 1 59 ILE 59 58 58 ILE ILE D . n D 1 60 ASP 60 59 59 ASP ASP D . n D 1 61 ASN 61 60 60 ASN ASN D . n D 1 62 ILE 62 61 61 ILE ILE D . n D 1 63 ARG 63 62 62 ARG ARG D . n D 1 64 LEU 64 63 63 LEU LEU D . n D 1 65 VAL 65 64 64 VAL VAL D . n D 1 66 TYR 66 65 65 TYR TYR D . n D 1 67 ASN 67 66 66 ASN ASN D . n D 1 68 LYS 68 67 67 LYS LYS D . n D 1 69 THR 69 68 68 THR THR D . n D 1 70 SER 70 69 69 SER SER D . n D 1 71 ARG 71 70 70 ARG ARG D . n D 1 72 ALA 72 71 71 ALA ALA D . n D 1 73 THR 73 72 72 THR THR D . n D 1 74 GLN 74 73 73 GLN GLN D . n D 1 75 PHE 75 74 74 PHE PHE D . n D 1 76 PRO 76 75 75 PRO PRO D . n D 1 77 ASP 77 76 76 ASP ASP D . n D 1 78 GLY 78 77 77 GLY GLY D . n D 1 79 VAL 79 78 78 VAL VAL D . n D 1 80 ASP 80 79 79 ASP ASP D . n D 1 81 VAL 81 80 80 VAL VAL D . n D 1 82 ARG 82 81 81 ARG ARG D . n D 1 83 VAL 83 82 82 VAL VAL D . n D 1 84 PRO 84 83 83 PRO PRO D . n D 1 85 GLY 85 84 84 GLY GLY D . n D 1 86 PHE 86 85 85 PHE PHE D . n D 1 87 GLY 87 86 86 GLY GLY D . n D 1 88 LYS 88 87 87 LYS LYS D . n D 1 89 THR 89 88 88 THR THR D . n D 1 90 PHE 90 89 89 PHE PHE D . n D 1 91 SER 91 90 90 SER SER D . n D 1 92 LEU 92 91 91 LEU LEU D . n D 1 93 GLU 93 92 92 GLU GLU D . n D 1 94 PHE 94 93 93 PHE PHE D . n D 1 95 LEU 95 94 94 LEU LEU D . n D 1 96 ASP 96 95 95 ASP ASP D . n D 1 97 PRO 97 96 96 PRO PRO D . n D 1 98 SER 98 97 97 SER SER D . n D 1 99 LYS 99 98 98 LYS LYS D . n D 1 100 SER 100 99 99 SER SER D . n D 1 101 SER 101 100 100 SER SER D . n D 1 102 VAL 102 101 101 VAL VAL D . n D 1 103 GLY 103 102 102 GLY GLY D . n D 1 104 SER 104 103 103 SER SER D . n D 1 105 TYR 105 104 104 TYR TYR D . n D 1 106 PHE 106 105 105 PHE PHE D . n D 1 107 HIS 107 106 106 HIS HIS D . n D 1 108 THR 108 107 107 THR THR D . n D 1 109 MET 109 108 108 MET MET D . n D 1 110 VAL 110 109 109 VAL VAL D . n D 1 111 GLU 111 110 110 GLU GLU D . n D 1 112 SER 112 111 111 SER SER D . n D 1 113 LEU 113 112 112 LEU LEU D . n D 1 114 VAL 114 113 113 VAL VAL D . n D 1 115 GLY 115 114 114 GLY GLY D . n D 1 116 TRP 116 115 115 TRP TRP D . n D 1 117 GLY 117 116 116 GLY GLY D . n D 1 118 TYR 118 117 117 TYR TYR D . n D 1 119 THR 119 118 118 THR THR D . n D 1 120 ARG 120 119 119 ARG ARG D . n D 1 121 GLY 121 120 120 GLY GLY D . n D 1 122 GLU 122 121 121 GLU GLU D . n D 1 123 ASP 123 122 122 ASP ASP D . n D 1 124 VAL 124 123 123 VAL VAL D . n D 1 125 ARG 125 124 124 ARG ARG D . n D 1 126 GLY 126 125 125 GLY GLY D . n D 1 127 ALA 127 126 126 ALA ALA D . n D 1 128 PRO 128 127 127 PRO PRO D . n D 1 129 TYR 129 128 128 TYR TYR D . n D 1 130 ASP 130 129 129 ASP ASP D . n D 1 131 TRP 131 130 130 TRP TRP D . n D 1 132 ARG 132 131 131 ARG ARG D . n D 1 133 ARG 133 132 132 ARG ARG D . n D 1 134 ALA 134 133 133 ALA ALA D . n D 1 135 PRO 135 134 134 PRO PRO D . n D 1 136 ASN 136 135 135 ASN ASN D . n D 1 137 GLU 137 136 136 GLU GLU D . n D 1 138 ASN 138 137 137 ASN ASN D . n D 1 139 GLY 139 138 138 GLY GLY D . n D 1 140 PRO 140 139 139 PRO PRO D . n D 1 141 TYR 141 140 140 TYR TYR D . n D 1 142 PHE 142 141 141 PHE PHE D . n D 1 143 LEU 143 142 142 LEU LEU D . n D 1 144 ALA 144 143 143 ALA ALA D . n D 1 145 LEU 145 144 144 LEU LEU D . n D 1 146 ARG 146 145 145 ARG ARG D . n D 1 147 GLU 147 146 146 GLU GLU D . n D 1 148 MET 148 147 147 MET MET D . n D 1 149 ILE 149 148 148 ILE ILE D . n D 1 150 GLU 150 149 149 GLU GLU D . n D 1 151 GLU 151 150 150 GLU GLU D . n D 1 152 MET 152 151 151 MET MET D . n D 1 153 TYR 153 152 152 TYR TYR D . n D 1 154 GLN 154 153 153 GLN GLN D . n D 1 155 LEU 155 154 154 LEU LEU D . n D 1 156 TYR 156 155 155 TYR TYR D . n D 1 157 GLY 157 156 156 GLY GLY D . n D 1 158 GLY 158 157 157 GLY GLY D . n D 1 159 PRO 159 158 158 PRO PRO D . n D 1 160 VAL 160 159 159 VAL VAL D . n D 1 161 VAL 161 160 160 VAL VAL D . n D 1 162 LEU 162 161 161 LEU LEU D . n D 1 163 VAL 163 162 162 VAL VAL D . n D 1 164 ALA 164 163 163 ALA ALA D . n D 1 165 HIS 165 164 164 HIS HIS D . n D 1 166 SER 166 165 165 SER SER D . n D 1 167 MET 167 166 166 MET MET D . n D 1 168 GLY 168 167 167 GLY GLY D . n D 1 169 ASN 169 168 168 ASN ASN D . n D 1 170 MET 170 169 169 MET MET D . n D 1 171 TYR 171 170 170 TYR TYR D . n D 1 172 THR 172 171 171 THR THR D . n D 1 173 LEU 173 172 172 LEU LEU D . n D 1 174 TYR 174 173 173 TYR TYR D . n D 1 175 PHE 175 174 174 PHE PHE D . n D 1 176 LEU 176 175 175 LEU LEU D . n D 1 177 GLN 177 176 176 GLN GLN D . n D 1 178 ARG 178 177 177 ARG ARG D . n D 1 179 GLN 179 178 178 GLN GLN D . n D 1 180 PRO 180 179 179 PRO PRO D . n D 1 181 GLN 181 180 180 GLN GLN D . n D 1 182 ALA 182 181 181 ALA ALA D . n D 1 183 TRP 183 182 182 TRP TRP D . n D 1 184 LYS 184 183 183 LYS LYS D . n D 1 185 ASP 185 184 184 ASP ASP D . n D 1 186 LYS 186 185 185 LYS LYS D . n D 1 187 TYR 187 186 186 TYR TYR D . n D 1 188 ILE 188 187 187 ILE ILE D . n D 1 189 ARG 189 188 188 ARG ARG D . n D 1 190 ALA 190 189 189 ALA ALA D . n D 1 191 PHE 191 190 190 PHE PHE D . n D 1 192 VAL 192 191 191 VAL VAL D . n D 1 193 SER 193 192 192 SER SER D . n D 1 194 LEU 194 193 193 LEU LEU D . n D 1 195 GLY 195 194 194 GLY GLY D . n D 1 196 ALA 196 195 195 ALA ALA D . n D 1 197 PRO 197 196 196 PRO PRO D . n D 1 198 TRP 198 197 197 TRP TRP D . n D 1 199 GLY 199 198 198 GLY GLY D . n D 1 200 GLY 200 199 199 GLY GLY D . n D 1 201 VAL 201 200 200 VAL VAL D . n D 1 202 ALA 202 201 201 ALA ALA D . n D 1 203 LYS 203 202 202 LYS LYS D . n D 1 204 THR 204 203 203 THR THR D . n D 1 205 LEU 205 204 204 LEU LEU D . n D 1 206 ARG 206 205 205 ARG ARG D . n D 1 207 VAL 207 206 206 VAL VAL D . n D 1 208 LEU 208 207 207 LEU LEU D . n D 1 209 ALA 209 208 208 ALA ALA D . n D 1 210 SER 210 209 209 SER SER D . n D 1 211 GLY 211 210 210 GLY GLY D . n D 1 212 ASP 212 211 211 ASP ASP D . n D 1 213 ASN 213 212 212 ASN ASN D . n D 1 214 ASN 214 213 213 ASN ASN D . n D 1 215 ARG 215 214 214 ARG ARG D . n D 1 216 ILE 216 215 215 ILE ILE D . n D 1 217 PRO 217 216 216 PRO PRO D . n D 1 218 VAL 218 217 217 VAL VAL D . n D 1 219 ILE 219 218 218 ILE ILE D . n D 1 220 GLY 220 219 219 GLY GLY D . n D 1 221 PRO 221 220 220 PRO PRO D . n D 1 222 LEU 222 221 221 LEU LEU D . n D 1 223 LYS 223 222 222 LYS LYS D . n D 1 224 ILE 224 223 223 ILE ILE D . n D 1 225 ARG 225 224 224 ARG ARG D . n D 1 226 GLU 226 225 225 GLU GLU D . n D 1 227 GLN 227 226 226 GLN GLN D . n D 1 228 GLN 228 227 227 GLN GLN D . n D 1 229 ARG 229 228 228 ARG ARG D . n D 1 230 SER 230 229 229 SER SER D . n D 1 231 ALA 231 230 230 ALA ALA D . n D 1 232 VAL 232 231 231 VAL VAL D . n D 1 233 SER 233 232 232 SER SER D . n D 1 234 THR 234 233 233 THR THR D . n D 1 235 SER 235 234 234 SER SER D . n D 1 236 TRP 236 235 235 TRP TRP D . n D 1 237 LEU 237 236 236 LEU LEU D . n D 1 238 LEU 238 237 237 LEU LEU D . n D 1 239 PRO 239 238 238 PRO PRO D . n D 1 240 TYR 240 239 239 TYR TYR D . n D 1 241 ASN 241 240 240 ASN ASN D . n D 1 242 TYR 242 241 241 TYR TYR D . n D 1 243 THR 243 242 242 THR THR D . n D 1 244 TRP 244 243 243 TRP TRP D . n D 1 245 SER 245 244 244 SER SER D . n D 1 246 PRO 246 245 245 PRO PRO D . n D 1 247 GLU 247 246 246 GLU GLU D . n D 1 248 LYS 248 247 247 LYS LYS D . n D 1 249 VAL 249 248 248 VAL VAL D . n D 1 250 PHE 250 249 249 PHE PHE D . n D 1 251 VAL 251 250 250 VAL VAL D . n D 1 252 GLN 252 251 251 GLN GLN D . n D 1 253 THR 253 252 252 THR THR D . n D 1 254 PRO 254 253 253 PRO PRO D . n D 1 255 THR 255 254 254 THR THR D . n D 1 256 ILE 256 255 255 ILE ILE D . n D 1 257 ASN 257 256 256 ASN ASN D . n D 1 258 TYR 258 257 257 TYR TYR D . n D 1 259 THR 259 258 258 THR THR D . n D 1 260 LEU 260 259 259 LEU LEU D . n D 1 261 ARG 261 260 260 ARG ARG D . n D 1 262 ASP 262 261 261 ASP ASP D . n D 1 263 TYR 263 262 262 TYR TYR D . n D 1 264 ARG 264 263 263 ARG ARG D . n D 1 265 LYS 265 264 264 LYS LYS D . n D 1 266 PHE 266 265 265 PHE PHE D . n D 1 267 PHE 267 266 266 PHE PHE D . n D 1 268 GLN 268 267 267 GLN GLN D . n D 1 269 ASP 269 268 268 ASP ASP D . n D 1 270 ILE 270 269 269 ILE ILE D . n D 1 271 GLY 271 270 270 GLY GLY D . n D 1 272 PHE 272 271 271 PHE PHE D . n D 1 273 GLU 273 272 272 GLU GLU D . n D 1 274 ASP 274 273 273 ASP ASP D . n D 1 275 GLY 275 274 274 GLY GLY D . n D 1 276 TRP 276 275 275 TRP TRP D . n D 1 277 LEU 277 276 276 LEU LEU D . n D 1 278 MET 278 277 277 MET MET D . n D 1 279 ARG 279 278 278 ARG ARG D . n D 1 280 GLN 280 279 279 GLN GLN D . n D 1 281 ASP 281 280 280 ASP ASP D . n D 1 282 THR 282 281 281 THR THR D . n D 1 283 GLU 283 282 282 GLU GLU D . n D 1 284 GLY 284 283 283 GLY GLY D . n D 1 285 LEU 285 284 284 LEU LEU D . n D 1 286 VAL 286 285 285 VAL VAL D . n D 1 287 GLU 287 286 286 GLU GLU D . n D 1 288 ALA 288 287 287 ALA ALA D . n D 1 289 THR 289 288 288 THR THR D . n D 1 290 MET 290 289 289 MET MET D . n D 1 291 PRO 291 290 290 PRO PRO D . n D 1 292 PRO 292 291 291 PRO PRO D . n D 1 293 GLY 293 292 292 GLY GLY D . n D 1 294 VAL 294 293 293 VAL VAL D . n D 1 295 GLN 295 294 294 GLN GLN D . n D 1 296 LEU 296 295 295 LEU LEU D . n D 1 297 HIS 297 296 296 HIS HIS D . n D 1 298 CYS 298 297 297 CYS CYS D . n D 1 299 LEU 299 298 298 LEU LEU D . n D 1 300 TYR 300 299 299 TYR TYR D . n D 1 301 GLY 301 300 300 GLY GLY D . n D 1 302 THR 302 301 301 THR THR D . n D 1 303 GLY 303 302 302 GLY GLY D . n D 1 304 VAL 304 303 303 VAL VAL D . n D 1 305 PRO 305 304 304 PRO PRO D . n D 1 306 THR 306 305 305 THR THR D . n D 1 307 PRO 307 306 306 PRO PRO D . n D 1 308 ASP 308 307 307 ASP ASP D . n D 1 309 SER 309 308 308 SER SER D . n D 1 310 PHE 310 309 309 PHE PHE D . n D 1 311 TYR 311 310 310 TYR TYR D . n D 1 312 TYR 312 311 311 TYR TYR D . n D 1 313 GLU 313 312 312 GLU GLU D . n D 1 314 SER 314 313 313 SER SER D . n D 1 315 PHE 315 314 314 PHE PHE D . n D 1 316 PRO 316 315 315 PRO PRO D . n D 1 317 ASP 317 316 316 ASP ASP D . n D 1 318 ARG 318 317 317 ARG ARG D . n D 1 319 ASP 319 318 318 ASP ASP D . n D 1 320 PRO 320 319 319 PRO PRO D . n D 1 321 LYS 321 320 320 LYS LYS D . n D 1 322 ILE 322 321 321 ILE ILE D . n D 1 323 CYS 323 322 322 CYS CYS D . n D 1 324 PHE 324 323 323 PHE PHE D . n D 1 325 GLY 325 324 324 GLY GLY D . n D 1 326 ASP 326 325 325 ASP ASP D . n D 1 327 GLY 327 326 326 GLY GLY D . n D 1 328 ASP 328 327 327 ASP ASP D . n D 1 329 GLY 329 328 328 GLY GLY D . n D 1 330 THR 330 329 329 THR THR D . n D 1 331 VAL 331 330 330 VAL VAL D . n D 1 332 ASN 332 331 331 ASN ASN D . n D 1 333 LEU 333 332 332 LEU LEU D . n D 1 334 LYS 334 333 333 LYS LYS D . n D 1 335 SER 335 334 334 SER SER D . n D 1 336 ALA 336 335 335 ALA ALA D . n D 1 337 LEU 337 336 336 LEU LEU D . n D 1 338 GLN 338 337 337 GLN GLN D . n D 1 339 CYS 339 338 338 CYS CYS D . n D 1 340 GLN 340 339 339 GLN GLN D . n D 1 341 ALA 341 340 340 ALA ALA D . n D 1 342 TRP 342 341 341 TRP TRP D . n D 1 343 GLN 343 342 342 GLN GLN D . n D 1 344 SER 344 343 343 SER SER D . n D 1 345 ARG 345 344 344 ARG ARG D . n D 1 346 GLN 346 345 345 GLN GLN D . n D 1 347 GLU 347 346 346 GLU GLU D . n D 1 348 HIS 348 347 347 HIS HIS D . n D 1 349 GLN 349 348 348 GLN GLN D . n D 1 350 VAL 350 349 349 VAL VAL D . n D 1 351 LEU 351 350 350 LEU LEU D . n D 1 352 LEU 352 351 351 LEU LEU D . n D 1 353 GLN 353 352 352 GLN GLN D . n D 1 354 GLU 354 353 353 GLU GLU D . n D 1 355 LEU 355 354 354 LEU LEU D . n D 1 356 PRO 356 355 355 PRO PRO D . n D 1 357 GLY 357 356 356 GLY GLY D . n D 1 358 SER 358 357 357 SER SER D . n D 1 359 GLU 359 358 358 GLU GLU D . n D 1 360 HIS 360 359 359 HIS HIS D . n D 1 361 ILE 361 360 360 ILE ILE D . n D 1 362 GLU 362 361 361 GLU GLU D . n D 1 363 MET 363 362 362 MET MET D . n D 1 364 LEU 364 363 363 LEU LEU D . n D 1 365 ALA 365 364 364 ALA ALA D . n D 1 366 ASN 366 365 365 ASN ASN D . n D 1 367 ALA 367 366 366 ALA ALA D . n D 1 368 THR 368 367 367 THR THR D . n D 1 369 THR 369 368 368 THR THR D . n D 1 370 LEU 370 369 369 LEU LEU D . n D 1 371 ALA 371 370 370 ALA ALA D . n D 1 372 TYR 372 371 371 TYR TYR D . n D 1 373 LEU 373 372 372 LEU LEU D . n D 1 374 LYS 374 373 373 LYS LYS D . n D 1 375 ARG 375 374 374 ARG ARG D . n D 1 376 VAL 376 375 375 VAL VAL D . n D 1 377 LEU 377 376 376 LEU LEU D . n D 1 378 LEU 378 377 377 LEU LEU D . n D 1 379 GLY 379 378 378 GLY GLY D . n D 1 380 PRO 380 379 379 PRO PRO D . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code E 2 NAG 1 401 380 NAG NAG A . F 2 NAG 1 402 381 NAG NAG A . G 2 NAG 1 403 382 NAG NAG A . H 2 NAG 1 404 383 NAG NAG A . I 3 EPE 1 405 384 EPE EPE A . J 4 CL 1 406 385 CL CL A . K 5 PO4 1 407 386 PO4 PO4 A . L 6 MPD 1 408 401 MPD MPD A . M 6 MPD 1 409 402 MPD MPD A . N 6 MPD 1 410 403 MPD MPD A . O 6 MPD 1 411 404 MPD MPD A . P 6 MPD 1 412 403 MPD MPD A . Q 2 NAG 1 401 380 NAG NAG B . R 2 NAG 1 402 381 NAG NAG B . S 2 NAG 1 403 382 NAG NAG B . T 2 NAG 1 404 383 NAG NAG B . U 3 EPE 1 405 384 EPE EPE B . V 4 CL 1 406 385 CL CL B . W 5 PO4 1 407 386 PO4 PO4 B . X 6 MPD 1 408 401 MPD MPD B . Y 6 MPD 1 409 402 MPD MPD B . Z 2 NAG 1 401 380 NAG NAG C . AA 2 NAG 1 402 381 NAG NAG C . BA 2 NAG 1 403 382 NAG NAG C . CA 2 NAG 1 404 383 NAG NAG C . DA 3 EPE 1 405 384 EPE EPE C . EA 4 CL 1 406 385 CL CL C . FA 5 PO4 1 407 386 PO4 PO4 C . GA 6 MPD 1 408 401 MPD MPD C . HA 6 MPD 1 409 402 MPD MPD C . IA 6 MPD 1 401 403 MPD MPD D . JA 2 NAG 1 402 380 NAG NAG D . KA 2 NAG 1 403 381 NAG NAG D . LA 2 NAG 1 404 382 NAG NAG D . MA 2 NAG 1 405 383 NAG NAG D . NA 3 EPE 1 406 384 EPE EPE D . OA 4 CL 1 407 385 CL CL D . PA 5 PO4 1 408 386 PO4 PO4 D . QA 6 MPD 1 409 401 MPD MPD D . RA 6 MPD 1 410 402 MPD MPD D . SA 6 MPD 1 411 403 MPD MPD D . TA 6 MPD 1 412 404 MPD MPD D . UA 7 HOH 1 501 1064 HOH HOH A . UA 7 HOH 2 502 871 HOH HOH A . UA 7 HOH 3 503 1059 HOH HOH A . UA 7 HOH 4 504 721 HOH HOH A . UA 7 HOH 5 505 1060 HOH HOH A . UA 7 HOH 6 506 821 HOH HOH A . UA 7 HOH 7 507 42 HOH HOH A . UA 7 HOH 8 508 77 HOH HOH A . UA 7 HOH 9 509 570 HOH HOH A . UA 7 HOH 10 510 863 HOH HOH A . UA 7 HOH 11 511 711 HOH HOH A . UA 7 HOH 12 512 12 HOH HOH A . UA 7 HOH 13 513 750 HOH HOH A . UA 7 HOH 14 514 1040 HOH HOH A . UA 7 HOH 15 515 242 HOH HOH A . UA 7 HOH 16 516 155 HOH HOH A . UA 7 HOH 17 517 56 HOH HOH A . UA 7 HOH 18 518 201 HOH HOH A . UA 7 HOH 19 519 397 HOH HOH A . UA 7 HOH 20 520 524 HOH HOH A . UA 7 HOH 21 521 565 HOH HOH A . UA 7 HOH 22 522 27 HOH HOH A . UA 7 HOH 23 523 484 HOH HOH A . UA 7 HOH 24 524 924 HOH HOH A . UA 7 HOH 25 525 864 HOH HOH A . UA 7 HOH 26 526 44 HOH HOH A . UA 7 HOH 27 527 921 HOH HOH A . UA 7 HOH 28 528 286 HOH HOH A . UA 7 HOH 29 529 136 HOH HOH A . UA 7 HOH 30 530 913 HOH HOH A . UA 7 HOH 31 531 1032 HOH HOH A . UA 7 HOH 32 532 2 HOH HOH A . UA 7 HOH 33 533 13 HOH HOH A . UA 7 HOH 34 534 14 HOH HOH A . UA 7 HOH 35 535 15 HOH HOH A . UA 7 HOH 36 536 22 HOH HOH A . UA 7 HOH 37 537 24 HOH HOH A . UA 7 HOH 38 538 28 HOH HOH A . UA 7 HOH 39 539 31 HOH HOH A . UA 7 HOH 40 540 33 HOH HOH A . UA 7 HOH 41 541 41 HOH HOH A . UA 7 HOH 42 542 43 HOH HOH A . UA 7 HOH 43 543 45 HOH HOH A . UA 7 HOH 44 544 60 HOH HOH A . UA 7 HOH 45 545 61 HOH HOH A . UA 7 HOH 46 546 62 HOH HOH A . UA 7 HOH 47 547 66 HOH HOH A . UA 7 HOH 48 548 74 HOH HOH A . UA 7 HOH 49 549 81 HOH HOH A . UA 7 HOH 50 550 83 HOH HOH A . UA 7 HOH 51 551 89 HOH HOH A . UA 7 HOH 52 552 90 HOH HOH A . UA 7 HOH 53 553 98 HOH HOH A . UA 7 HOH 54 554 103 HOH HOH A . UA 7 HOH 55 555 104 HOH HOH A . UA 7 HOH 56 556 105 HOH HOH A . UA 7 HOH 57 557 106 HOH HOH A . UA 7 HOH 58 558 109 HOH HOH A . UA 7 HOH 59 559 110 HOH HOH A . UA 7 HOH 60 560 115 HOH HOH A . UA 7 HOH 61 561 120 HOH HOH A . UA 7 HOH 62 562 122 HOH HOH A . UA 7 HOH 63 563 131 HOH HOH A . UA 7 HOH 64 564 142 HOH HOH A . UA 7 HOH 65 565 146 HOH HOH A . UA 7 HOH 66 566 148 HOH HOH A . UA 7 HOH 67 567 149 HOH HOH A . UA 7 HOH 68 568 156 HOH HOH A . UA 7 HOH 69 569 159 HOH HOH A . UA 7 HOH 70 570 162 HOH HOH A . UA 7 HOH 71 571 166 HOH HOH A . UA 7 HOH 72 572 171 HOH HOH A . UA 7 HOH 73 573 178 HOH HOH A . UA 7 HOH 74 574 182 HOH HOH A . UA 7 HOH 75 575 184 HOH HOH A . UA 7 HOH 76 576 187 HOH HOH A . UA 7 HOH 77 577 195 HOH HOH A . UA 7 HOH 78 578 199 HOH HOH A . UA 7 HOH 79 579 206 HOH HOH A . UA 7 HOH 80 580 213 HOH HOH A . UA 7 HOH 81 581 215 HOH HOH A . UA 7 HOH 82 582 216 HOH HOH A . UA 7 HOH 83 583 222 HOH HOH A . UA 7 HOH 84 584 225 HOH HOH A . UA 7 HOH 85 585 226 HOH HOH A . UA 7 HOH 86 586 232 HOH HOH A . UA 7 HOH 87 587 233 HOH HOH A . UA 7 HOH 88 588 234 HOH HOH A . UA 7 HOH 89 589 237 HOH HOH A . UA 7 HOH 90 590 238 HOH HOH A . UA 7 HOH 91 591 245 HOH HOH A . UA 7 HOH 92 592 247 HOH HOH A . UA 7 HOH 93 593 251 HOH HOH A . UA 7 HOH 94 594 255 HOH HOH A . UA 7 HOH 95 595 260 HOH HOH A . UA 7 HOH 96 596 264 HOH HOH A . UA 7 HOH 97 597 267 HOH HOH A . UA 7 HOH 98 598 278 HOH HOH A . UA 7 HOH 99 599 282 HOH HOH A . UA 7 HOH 100 600 285 HOH HOH A . UA 7 HOH 101 601 288 HOH HOH A . UA 7 HOH 102 602 291 HOH HOH A . UA 7 HOH 103 603 293 HOH HOH A . UA 7 HOH 104 604 296 HOH HOH A . UA 7 HOH 105 605 301 HOH HOH A . UA 7 HOH 106 606 302 HOH HOH A . UA 7 HOH 107 607 305 HOH HOH A . UA 7 HOH 108 608 312 HOH HOH A . UA 7 HOH 109 609 329 HOH HOH A . UA 7 HOH 110 610 336 HOH HOH A . UA 7 HOH 111 611 337 HOH HOH A . UA 7 HOH 112 612 341 HOH HOH A . UA 7 HOH 113 613 342 HOH HOH A . UA 7 HOH 114 614 344 HOH HOH A . UA 7 HOH 115 615 348 HOH HOH A . UA 7 HOH 116 616 357 HOH HOH A . UA 7 HOH 117 617 364 HOH HOH A . UA 7 HOH 118 618 367 HOH HOH A . UA 7 HOH 119 619 373 HOH HOH A . UA 7 HOH 120 620 379 HOH HOH A . UA 7 HOH 121 621 381 HOH HOH A . UA 7 HOH 122 622 384 HOH HOH A . UA 7 HOH 123 623 388 HOH HOH A . UA 7 HOH 124 624 392 HOH HOH A . UA 7 HOH 125 625 404 HOH HOH A . UA 7 HOH 126 626 411 HOH HOH A . UA 7 HOH 127 627 413 HOH HOH A . UA 7 HOH 128 628 421 HOH HOH A . UA 7 HOH 129 629 426 HOH HOH A . UA 7 HOH 130 630 427 HOH HOH A . UA 7 HOH 131 631 428 HOH HOH A . UA 7 HOH 132 632 433 HOH HOH A . UA 7 HOH 133 633 437 HOH HOH A . UA 7 HOH 134 634 438 HOH HOH A . UA 7 HOH 135 635 440 HOH HOH A . UA 7 HOH 136 636 442 HOH HOH A . UA 7 HOH 137 637 443 HOH HOH A . UA 7 HOH 138 638 444 HOH HOH A . UA 7 HOH 139 639 446 HOH HOH A . UA 7 HOH 140 640 450 HOH HOH A . UA 7 HOH 141 641 459 HOH HOH A . UA 7 HOH 142 642 460 HOH HOH A . UA 7 HOH 143 643 461 HOH HOH A . UA 7 HOH 144 644 464 HOH HOH A . UA 7 HOH 145 645 471 HOH HOH A . UA 7 HOH 146 646 475 HOH HOH A . UA 7 HOH 147 647 476 HOH HOH A . UA 7 HOH 148 648 480 HOH HOH A . UA 7 HOH 149 649 483 HOH HOH A . UA 7 HOH 150 650 485 HOH HOH A . UA 7 HOH 151 651 501 HOH HOH A . UA 7 HOH 152 652 503 HOH HOH A . UA 7 HOH 153 653 505 HOH HOH A . UA 7 HOH 154 654 508 HOH HOH A . UA 7 HOH 155 655 516 HOH HOH A . UA 7 HOH 156 656 518 HOH HOH A . UA 7 HOH 157 657 519 HOH HOH A . UA 7 HOH 158 658 527 HOH HOH A . UA 7 HOH 159 659 528 HOH HOH A . UA 7 HOH 160 660 529 HOH HOH A . UA 7 HOH 161 661 530 HOH HOH A . UA 7 HOH 162 662 535 HOH HOH A . UA 7 HOH 163 663 537 HOH HOH A . UA 7 HOH 164 664 541 HOH HOH A . UA 7 HOH 165 665 547 HOH HOH A . UA 7 HOH 166 666 551 HOH HOH A . UA 7 HOH 167 667 555 HOH HOH A . UA 7 HOH 168 668 561 HOH HOH A . UA 7 HOH 169 669 563 HOH HOH A . UA 7 HOH 170 670 564 HOH HOH A . UA 7 HOH 171 671 576 HOH HOH A . UA 7 HOH 172 672 578 HOH HOH A . UA 7 HOH 173 673 580 HOH HOH A . UA 7 HOH 174 674 590 HOH HOH A . UA 7 HOH 175 675 591 HOH HOH A . UA 7 HOH 176 676 594 HOH HOH A . UA 7 HOH 177 677 598 HOH HOH A . UA 7 HOH 178 678 601 HOH HOH A . UA 7 HOH 179 679 602 HOH HOH A . UA 7 HOH 180 680 604 HOH HOH A . UA 7 HOH 181 681 606 HOH HOH A . UA 7 HOH 182 682 616 HOH HOH A . UA 7 HOH 183 683 620 HOH HOH A . UA 7 HOH 184 684 634 HOH HOH A . UA 7 HOH 185 685 637 HOH HOH A . UA 7 HOH 186 686 639 HOH HOH A . UA 7 HOH 187 687 650 HOH HOH A . UA 7 HOH 188 688 656 HOH HOH A . UA 7 HOH 189 689 662 HOH HOH A . UA 7 HOH 190 690 676 HOH HOH A . UA 7 HOH 191 691 678 HOH HOH A . UA 7 HOH 192 692 679 HOH HOH A . UA 7 HOH 193 693 681 HOH HOH A . UA 7 HOH 194 694 684 HOH HOH A . UA 7 HOH 195 695 686 HOH HOH A . UA 7 HOH 196 696 688 HOH HOH A . UA 7 HOH 197 697 689 HOH HOH A . UA 7 HOH 198 698 690 HOH HOH A . UA 7 HOH 199 699 691 HOH HOH A . UA 7 HOH 200 700 702 HOH HOH A . UA 7 HOH 201 701 704 HOH HOH A . UA 7 HOH 202 702 707 HOH HOH A . UA 7 HOH 203 703 708 HOH HOH A . UA 7 HOH 204 704 712 HOH HOH A . UA 7 HOH 205 705 715 HOH HOH A . UA 7 HOH 206 706 716 HOH HOH A . UA 7 HOH 207 707 728 HOH HOH A . UA 7 HOH 208 708 729 HOH HOH A . UA 7 HOH 209 709 744 HOH HOH A . UA 7 HOH 210 710 746 HOH HOH A . UA 7 HOH 211 711 751 HOH HOH A . UA 7 HOH 212 712 752 HOH HOH A . UA 7 HOH 213 713 754 HOH HOH A . UA 7 HOH 214 714 760 HOH HOH A . UA 7 HOH 215 715 765 HOH HOH A . UA 7 HOH 216 716 778 HOH HOH A . UA 7 HOH 217 717 779 HOH HOH A . UA 7 HOH 218 718 782 HOH HOH A . UA 7 HOH 219 719 783 HOH HOH A . UA 7 HOH 220 720 788 HOH HOH A . UA 7 HOH 221 721 797 HOH HOH A . UA 7 HOH 222 722 804 HOH HOH A . UA 7 HOH 223 723 806 HOH HOH A . UA 7 HOH 224 724 818 HOH HOH A . UA 7 HOH 225 725 823 HOH HOH A . UA 7 HOH 226 726 831 HOH HOH A . UA 7 HOH 227 727 832 HOH HOH A . UA 7 HOH 228 728 833 HOH HOH A . UA 7 HOH 229 729 834 HOH HOH A . UA 7 HOH 230 730 835 HOH HOH A . UA 7 HOH 231 731 836 HOH HOH A . UA 7 HOH 232 732 840 HOH HOH A . UA 7 HOH 233 733 846 HOH HOH A . UA 7 HOH 234 734 848 HOH HOH A . UA 7 HOH 235 735 849 HOH HOH A . UA 7 HOH 236 736 850 HOH HOH A . UA 7 HOH 237 737 855 HOH HOH A . UA 7 HOH 238 738 857 HOH HOH A . UA 7 HOH 239 739 860 HOH HOH A . UA 7 HOH 240 740 872 HOH HOH A . UA 7 HOH 241 741 875 HOH HOH A . UA 7 HOH 242 742 876 HOH HOH A . UA 7 HOH 243 743 878 HOH HOH A . UA 7 HOH 244 744 879 HOH HOH A . UA 7 HOH 245 745 882 HOH HOH A . UA 7 HOH 246 746 888 HOH HOH A . UA 7 HOH 247 747 893 HOH HOH A . UA 7 HOH 248 748 900 HOH HOH A . UA 7 HOH 249 749 907 HOH HOH A . UA 7 HOH 250 750 912 HOH HOH A . UA 7 HOH 251 751 916 HOH HOH A . UA 7 HOH 252 752 920 HOH HOH A . UA 7 HOH 253 753 922 HOH HOH A . UA 7 HOH 254 754 923 HOH HOH A . UA 7 HOH 255 755 929 HOH HOH A . UA 7 HOH 256 756 931 HOH HOH A . UA 7 HOH 257 757 938 HOH HOH A . UA 7 HOH 258 758 946 HOH HOH A . UA 7 HOH 259 759 951 HOH HOH A . UA 7 HOH 260 760 965 HOH HOH A . UA 7 HOH 261 761 971 HOH HOH A . UA 7 HOH 262 762 975 HOH HOH A . UA 7 HOH 263 763 981 HOH HOH A . UA 7 HOH 264 764 991 HOH HOH A . UA 7 HOH 265 765 992 HOH HOH A . UA 7 HOH 266 766 996 HOH HOH A . UA 7 HOH 267 767 997 HOH HOH A . UA 7 HOH 268 768 998 HOH HOH A . UA 7 HOH 269 769 1000 HOH HOH A . UA 7 HOH 270 770 1013 HOH HOH A . UA 7 HOH 271 771 1014 HOH HOH A . UA 7 HOH 272 772 1015 HOH HOH A . UA 7 HOH 273 773 1019 HOH HOH A . UA 7 HOH 274 774 1034 HOH HOH A . UA 7 HOH 275 775 1038 HOH HOH A . UA 7 HOH 276 776 1045 HOH HOH A . UA 7 HOH 277 777 1046 HOH HOH A . UA 7 HOH 278 778 1047 HOH HOH A . UA 7 HOH 279 779 1052 HOH HOH A . UA 7 HOH 280 780 1067 HOH HOH A . VA 7 HOH 1 501 1066 HOH HOH B . VA 7 HOH 2 502 757 HOH HOH B . VA 7 HOH 3 503 644 HOH HOH B . VA 7 HOH 4 504 573 HOH HOH B . VA 7 HOH 5 505 37 HOH HOH B . VA 7 HOH 6 506 164 HOH HOH B . VA 7 HOH 7 507 327 HOH HOH B . VA 7 HOH 8 508 615 HOH HOH B . VA 7 HOH 9 509 714 HOH HOH B . VA 7 HOH 10 510 894 HOH HOH B . VA 7 HOH 11 511 526 HOH HOH B . VA 7 HOH 12 512 240 HOH HOH B . VA 7 HOH 13 513 497 HOH HOH B . VA 7 HOH 14 514 843 HOH HOH B . VA 7 HOH 15 515 1039 HOH HOH B . VA 7 HOH 16 516 212 HOH HOH B . VA 7 HOH 17 517 582 HOH HOH B . VA 7 HOH 18 518 289 HOH HOH B . VA 7 HOH 19 519 6 HOH HOH B . VA 7 HOH 20 520 747 HOH HOH B . VA 7 HOH 21 521 697 HOH HOH B . VA 7 HOH 22 522 909 HOH HOH B . VA 7 HOH 23 523 1055 HOH HOH B . VA 7 HOH 24 524 949 HOH HOH B . VA 7 HOH 25 525 718 HOH HOH B . VA 7 HOH 26 526 132 HOH HOH B . VA 7 HOH 27 527 953 HOH HOH B . VA 7 HOH 28 528 3 HOH HOH B . VA 7 HOH 29 529 4 HOH HOH B . VA 7 HOH 30 530 25 HOH HOH B . VA 7 HOH 31 531 36 HOH HOH B . VA 7 HOH 32 532 58 HOH HOH B . VA 7 HOH 33 533 63 HOH HOH B . VA 7 HOH 34 534 65 HOH HOH B . VA 7 HOH 35 535 67 HOH HOH B . VA 7 HOH 36 536 72 HOH HOH B . VA 7 HOH 37 537 85 HOH HOH B . VA 7 HOH 38 538 87 HOH HOH B . VA 7 HOH 39 539 91 HOH HOH B . VA 7 HOH 40 540 92 HOH HOH B . VA 7 HOH 41 541 96 HOH HOH B . VA 7 HOH 42 542 100 HOH HOH B . VA 7 HOH 43 543 108 HOH HOH B . VA 7 HOH 44 544 116 HOH HOH B . VA 7 HOH 45 545 118 HOH HOH B . VA 7 HOH 46 546 119 HOH HOH B . VA 7 HOH 47 547 125 HOH HOH B . VA 7 HOH 48 548 129 HOH HOH B . VA 7 HOH 49 549 134 HOH HOH B . VA 7 HOH 50 550 135 HOH HOH B . VA 7 HOH 51 551 139 HOH HOH B . VA 7 HOH 52 552 144 HOH HOH B . VA 7 HOH 53 553 151 HOH HOH B . VA 7 HOH 54 554 168 HOH HOH B . VA 7 HOH 55 555 175 HOH HOH B . VA 7 HOH 56 556 176 HOH HOH B . VA 7 HOH 57 557 179 HOH HOH B . VA 7 HOH 58 558 180 HOH HOH B . VA 7 HOH 59 559 193 HOH HOH B . VA 7 HOH 60 560 194 HOH HOH B . VA 7 HOH 61 561 197 HOH HOH B . VA 7 HOH 62 562 198 HOH HOH B . VA 7 HOH 63 563 204 HOH HOH B . VA 7 HOH 64 564 205 HOH HOH B . VA 7 HOH 65 565 207 HOH HOH B . VA 7 HOH 66 566 217 HOH HOH B . VA 7 HOH 67 567 223 HOH HOH B . VA 7 HOH 68 568 231 HOH HOH B . VA 7 HOH 69 569 239 HOH HOH B . VA 7 HOH 70 570 241 HOH HOH B . VA 7 HOH 71 571 246 HOH HOH B . VA 7 HOH 72 572 253 HOH HOH B . VA 7 HOH 73 573 258 HOH HOH B . VA 7 HOH 74 574 259 HOH HOH B . VA 7 HOH 75 575 263 HOH HOH B . VA 7 HOH 76 576 268 HOH HOH B . VA 7 HOH 77 577 269 HOH HOH B . VA 7 HOH 78 578 273 HOH HOH B . VA 7 HOH 79 579 274 HOH HOH B . VA 7 HOH 80 580 277 HOH HOH B . VA 7 HOH 81 581 281 HOH HOH B . VA 7 HOH 82 582 290 HOH HOH B . VA 7 HOH 83 583 298 HOH HOH B . VA 7 HOH 84 584 311 HOH HOH B . VA 7 HOH 85 585 315 HOH HOH B . VA 7 HOH 86 586 316 HOH HOH B . VA 7 HOH 87 587 317 HOH HOH B . VA 7 HOH 88 588 318 HOH HOH B . VA 7 HOH 89 589 325 HOH HOH B . VA 7 HOH 90 590 326 HOH HOH B . VA 7 HOH 91 591 332 HOH HOH B . VA 7 HOH 92 592 335 HOH HOH B . VA 7 HOH 93 593 338 HOH HOH B . VA 7 HOH 94 594 353 HOH HOH B . VA 7 HOH 95 595 356 HOH HOH B . VA 7 HOH 96 596 360 HOH HOH B . VA 7 HOH 97 597 368 HOH HOH B . VA 7 HOH 98 598 370 HOH HOH B . VA 7 HOH 99 599 371 HOH HOH B . VA 7 HOH 100 600 374 HOH HOH B . VA 7 HOH 101 601 375 HOH HOH B . VA 7 HOH 102 602 376 HOH HOH B . VA 7 HOH 103 603 382 HOH HOH B . VA 7 HOH 104 604 386 HOH HOH B . VA 7 HOH 105 605 394 HOH HOH B . VA 7 HOH 106 606 403 HOH HOH B . VA 7 HOH 107 607 405 HOH HOH B . VA 7 HOH 108 608 408 HOH HOH B . VA 7 HOH 109 609 415 HOH HOH B . VA 7 HOH 110 610 418 HOH HOH B . VA 7 HOH 111 611 423 HOH HOH B . VA 7 HOH 112 612 425 HOH HOH B . VA 7 HOH 113 613 430 HOH HOH B . VA 7 HOH 114 614 432 HOH HOH B . VA 7 HOH 115 615 445 HOH HOH B . VA 7 HOH 116 616 449 HOH HOH B . VA 7 HOH 117 617 455 HOH HOH B . VA 7 HOH 118 618 457 HOH HOH B . VA 7 HOH 119 619 466 HOH HOH B . VA 7 HOH 120 620 467 HOH HOH B . VA 7 HOH 121 621 473 HOH HOH B . VA 7 HOH 122 622 478 HOH HOH B . VA 7 HOH 123 623 479 HOH HOH B . VA 7 HOH 124 624 488 HOH HOH B . VA 7 HOH 125 625 489 HOH HOH B . VA 7 HOH 126 626 496 HOH HOH B . VA 7 HOH 127 627 498 HOH HOH B . VA 7 HOH 128 628 502 HOH HOH B . VA 7 HOH 129 629 507 HOH HOH B . VA 7 HOH 130 630 511 HOH HOH B . VA 7 HOH 131 631 512 HOH HOH B . VA 7 HOH 132 632 514 HOH HOH B . VA 7 HOH 133 633 522 HOH HOH B . VA 7 HOH 134 634 525 HOH HOH B . VA 7 HOH 135 635 536 HOH HOH B . VA 7 HOH 136 636 552 HOH HOH B . VA 7 HOH 137 637 558 HOH HOH B . VA 7 HOH 138 638 560 HOH HOH B . VA 7 HOH 139 639 567 HOH HOH B . VA 7 HOH 140 640 569 HOH HOH B . VA 7 HOH 141 641 572 HOH HOH B . VA 7 HOH 142 642 581 HOH HOH B . VA 7 HOH 143 643 589 HOH HOH B . VA 7 HOH 144 644 593 HOH HOH B . VA 7 HOH 145 645 599 HOH HOH B . VA 7 HOH 146 646 600 HOH HOH B . VA 7 HOH 147 647 608 HOH HOH B . VA 7 HOH 148 648 609 HOH HOH B . VA 7 HOH 149 649 612 HOH HOH B . VA 7 HOH 150 650 614 HOH HOH B . VA 7 HOH 151 651 618 HOH HOH B . VA 7 HOH 152 652 626 HOH HOH B . VA 7 HOH 153 653 641 HOH HOH B . VA 7 HOH 154 654 643 HOH HOH B . VA 7 HOH 155 655 645 HOH HOH B . VA 7 HOH 156 656 649 HOH HOH B . VA 7 HOH 157 657 655 HOH HOH B . VA 7 HOH 158 658 658 HOH HOH B . VA 7 HOH 159 659 661 HOH HOH B . VA 7 HOH 160 660 664 HOH HOH B . VA 7 HOH 161 661 665 HOH HOH B . VA 7 HOH 162 662 667 HOH HOH B . VA 7 HOH 163 663 668 HOH HOH B . VA 7 HOH 164 664 671 HOH HOH B . VA 7 HOH 165 665 674 HOH HOH B . VA 7 HOH 166 666 682 HOH HOH B . VA 7 HOH 167 667 685 HOH HOH B . VA 7 HOH 168 668 687 HOH HOH B . VA 7 HOH 169 669 692 HOH HOH B . VA 7 HOH 170 670 695 HOH HOH B . VA 7 HOH 171 671 698 HOH HOH B . VA 7 HOH 172 672 713 HOH HOH B . VA 7 HOH 173 673 720 HOH HOH B . VA 7 HOH 174 674 732 HOH HOH B . VA 7 HOH 175 675 733 HOH HOH B . VA 7 HOH 176 676 738 HOH HOH B . VA 7 HOH 177 677 740 HOH HOH B . VA 7 HOH 178 678 742 HOH HOH B . VA 7 HOH 179 679 745 HOH HOH B . VA 7 HOH 180 680 749 HOH HOH B . VA 7 HOH 181 681 761 HOH HOH B . VA 7 HOH 182 682 762 HOH HOH B . VA 7 HOH 183 683 768 HOH HOH B . VA 7 HOH 184 684 775 HOH HOH B . VA 7 HOH 185 685 777 HOH HOH B . VA 7 HOH 186 686 786 HOH HOH B . VA 7 HOH 187 687 793 HOH HOH B . VA 7 HOH 188 688 799 HOH HOH B . VA 7 HOH 189 689 810 HOH HOH B . VA 7 HOH 190 690 820 HOH HOH B . VA 7 HOH 191 691 824 HOH HOH B . VA 7 HOH 192 692 825 HOH HOH B . VA 7 HOH 193 693 826 HOH HOH B . VA 7 HOH 194 694 837 HOH HOH B . VA 7 HOH 195 695 838 HOH HOH B . VA 7 HOH 196 696 839 HOH HOH B . VA 7 HOH 197 697 841 HOH HOH B . VA 7 HOH 198 698 847 HOH HOH B . VA 7 HOH 199 699 868 HOH HOH B . VA 7 HOH 200 700 889 HOH HOH B . VA 7 HOH 201 701 890 HOH HOH B . VA 7 HOH 202 702 896 HOH HOH B . VA 7 HOH 203 703 902 HOH HOH B . VA 7 HOH 204 704 926 HOH HOH B . VA 7 HOH 205 705 934 HOH HOH B . VA 7 HOH 206 706 935 HOH HOH B . VA 7 HOH 207 707 940 HOH HOH B . VA 7 HOH 208 708 943 HOH HOH B . VA 7 HOH 209 709 947 HOH HOH B . VA 7 HOH 210 710 950 HOH HOH B . VA 7 HOH 211 711 952 HOH HOH B . VA 7 HOH 212 712 959 HOH HOH B . VA 7 HOH 213 713 963 HOH HOH B . VA 7 HOH 214 714 976 HOH HOH B . VA 7 HOH 215 715 977 HOH HOH B . VA 7 HOH 216 716 978 HOH HOH B . VA 7 HOH 217 717 986 HOH HOH B . VA 7 HOH 218 718 987 HOH HOH B . VA 7 HOH 219 719 1004 HOH HOH B . VA 7 HOH 220 720 1005 HOH HOH B . VA 7 HOH 221 721 1006 HOH HOH B . VA 7 HOH 222 722 1007 HOH HOH B . VA 7 HOH 223 723 1008 HOH HOH B . VA 7 HOH 224 724 1016 HOH HOH B . VA 7 HOH 225 725 1017 HOH HOH B . VA 7 HOH 226 726 1024 HOH HOH B . VA 7 HOH 227 727 1029 HOH HOH B . VA 7 HOH 228 728 1030 HOH HOH B . VA 7 HOH 229 729 1033 HOH HOH B . VA 7 HOH 230 730 1035 HOH HOH B . VA 7 HOH 231 731 1036 HOH HOH B . VA 7 HOH 232 732 1044 HOH HOH B . VA 7 HOH 233 733 1058 HOH HOH B . VA 7 HOH 234 734 1061 HOH HOH B . VA 7 HOH 235 735 1062 HOH HOH B . WA 7 HOH 1 501 739 HOH HOH C . WA 7 HOH 2 502 605 HOH HOH C . WA 7 HOH 3 503 808 HOH HOH C . WA 7 HOH 4 504 596 HOH HOH C . WA 7 HOH 5 505 431 HOH HOH C . WA 7 HOH 6 506 11 HOH HOH C . WA 7 HOH 7 507 534 HOH HOH C . WA 7 HOH 8 508 101 HOH HOH C . WA 7 HOH 9 509 509 HOH HOH C . WA 7 HOH 10 510 465 HOH HOH C . WA 7 HOH 11 511 520 HOH HOH C . WA 7 HOH 12 512 865 HOH HOH C . WA 7 HOH 13 513 369 HOH HOH C . WA 7 HOH 14 514 124 HOH HOH C . WA 7 HOH 15 515 451 HOH HOH C . WA 7 HOH 16 516 842 HOH HOH C . WA 7 HOH 17 517 587 HOH HOH C . WA 7 HOH 18 518 283 HOH HOH C . WA 7 HOH 19 519 725 HOH HOH C . WA 7 HOH 20 520 629 HOH HOH C . WA 7 HOH 21 521 743 HOH HOH C . WA 7 HOH 22 522 161 HOH HOH C . WA 7 HOH 23 523 313 HOH HOH C . WA 7 HOH 24 524 954 HOH HOH C . WA 7 HOH 25 525 769 HOH HOH C . WA 7 HOH 26 526 470 HOH HOH C . WA 7 HOH 27 527 10 HOH HOH C . WA 7 HOH 28 528 472 HOH HOH C . WA 7 HOH 29 529 703 HOH HOH C . WA 7 HOH 30 530 1011 HOH HOH C . WA 7 HOH 31 531 901 HOH HOH C . WA 7 HOH 32 532 154 HOH HOH C . WA 7 HOH 33 533 1009 HOH HOH C . WA 7 HOH 34 534 670 HOH HOH C . WA 7 HOH 35 535 908 HOH HOH C . WA 7 HOH 36 536 939 HOH HOH C . WA 7 HOH 37 537 1010 HOH HOH C . WA 7 HOH 38 538 1042 HOH HOH C . WA 7 HOH 39 539 1043 HOH HOH C . WA 7 HOH 40 540 915 HOH HOH C . WA 7 HOH 41 541 1037 HOH HOH C . WA 7 HOH 42 542 143 HOH HOH C . WA 7 HOH 43 543 706 HOH HOH C . WA 7 HOH 44 544 989 HOH HOH C . WA 7 HOH 45 545 1 HOH HOH C . WA 7 HOH 46 546 5 HOH HOH C . WA 7 HOH 47 547 8 HOH HOH C . WA 7 HOH 48 548 16 HOH HOH C . WA 7 HOH 49 549 32 HOH HOH C . WA 7 HOH 50 550 35 HOH HOH C . WA 7 HOH 51 551 38 HOH HOH C . WA 7 HOH 52 552 46 HOH HOH C . WA 7 HOH 53 553 47 HOH HOH C . WA 7 HOH 54 554 48 HOH HOH C . WA 7 HOH 55 555 49 HOH HOH C . WA 7 HOH 56 556 51 HOH HOH C . WA 7 HOH 57 557 52 HOH HOH C . WA 7 HOH 58 558 55 HOH HOH C . WA 7 HOH 59 559 57 HOH HOH C . WA 7 HOH 60 560 59 HOH HOH C . WA 7 HOH 61 561 69 HOH HOH C . WA 7 HOH 62 562 70 HOH HOH C . WA 7 HOH 63 563 71 HOH HOH C . WA 7 HOH 64 564 73 HOH HOH C . WA 7 HOH 65 565 82 HOH HOH C . WA 7 HOH 66 566 86 HOH HOH C . WA 7 HOH 67 567 93 HOH HOH C . WA 7 HOH 68 568 95 HOH HOH C . WA 7 HOH 69 569 107 HOH HOH C . WA 7 HOH 70 570 111 HOH HOH C . WA 7 HOH 71 571 112 HOH HOH C . WA 7 HOH 72 572 117 HOH HOH C . WA 7 HOH 73 573 123 HOH HOH C . WA 7 HOH 74 574 126 HOH HOH C . WA 7 HOH 75 575 127 HOH HOH C . WA 7 HOH 76 576 133 HOH HOH C . WA 7 HOH 77 577 137 HOH HOH C . WA 7 HOH 78 578 138 HOH HOH C . WA 7 HOH 79 579 141 HOH HOH C . WA 7 HOH 80 580 145 HOH HOH C . WA 7 HOH 81 581 147 HOH HOH C . WA 7 HOH 82 582 158 HOH HOH C . WA 7 HOH 83 583 163 HOH HOH C . WA 7 HOH 84 584 170 HOH HOH C . WA 7 HOH 85 585 174 HOH HOH C . WA 7 HOH 86 586 181 HOH HOH C . WA 7 HOH 87 587 183 HOH HOH C . WA 7 HOH 88 588 186 HOH HOH C . WA 7 HOH 89 589 190 HOH HOH C . WA 7 HOH 90 590 191 HOH HOH C . WA 7 HOH 91 591 202 HOH HOH C . WA 7 HOH 92 592 209 HOH HOH C . WA 7 HOH 93 593 210 HOH HOH C . WA 7 HOH 94 594 211 HOH HOH C . WA 7 HOH 95 595 214 HOH HOH C . WA 7 HOH 96 596 218 HOH HOH C . WA 7 HOH 97 597 228 HOH HOH C . WA 7 HOH 98 598 229 HOH HOH C . WA 7 HOH 99 599 230 HOH HOH C . WA 7 HOH 100 600 244 HOH HOH C . WA 7 HOH 101 601 249 HOH HOH C . WA 7 HOH 102 602 250 HOH HOH C . WA 7 HOH 103 603 252 HOH HOH C . WA 7 HOH 104 604 254 HOH HOH C . WA 7 HOH 105 605 256 HOH HOH C . WA 7 HOH 106 606 265 HOH HOH C . WA 7 HOH 107 607 266 HOH HOH C . WA 7 HOH 108 608 270 HOH HOH C . WA 7 HOH 109 609 271 HOH HOH C . WA 7 HOH 110 610 284 HOH HOH C . WA 7 HOH 111 611 294 HOH HOH C . WA 7 HOH 112 612 297 HOH HOH C . WA 7 HOH 113 613 299 HOH HOH C . WA 7 HOH 114 614 300 HOH HOH C . WA 7 HOH 115 615 303 HOH HOH C . WA 7 HOH 116 616 306 HOH HOH C . WA 7 HOH 117 617 308 HOH HOH C . WA 7 HOH 118 618 310 HOH HOH C . WA 7 HOH 119 619 314 HOH HOH C . WA 7 HOH 120 620 319 HOH HOH C . WA 7 HOH 121 621 320 HOH HOH C . WA 7 HOH 122 622 322 HOH HOH C . WA 7 HOH 123 623 334 HOH HOH C . WA 7 HOH 124 624 339 HOH HOH C . WA 7 HOH 125 625 346 HOH HOH C . WA 7 HOH 126 626 347 HOH HOH C . WA 7 HOH 127 627 361 HOH HOH C . WA 7 HOH 128 628 365 HOH HOH C . WA 7 HOH 129 629 377 HOH HOH C . WA 7 HOH 130 630 378 HOH HOH C . WA 7 HOH 131 631 380 HOH HOH C . WA 7 HOH 132 632 383 HOH HOH C . WA 7 HOH 133 633 387 HOH HOH C . WA 7 HOH 134 634 389 HOH HOH C . WA 7 HOH 135 635 390 HOH HOH C . WA 7 HOH 136 636 391 HOH HOH C . WA 7 HOH 137 637 395 HOH HOH C . WA 7 HOH 138 638 396 HOH HOH C . WA 7 HOH 139 639 398 HOH HOH C . WA 7 HOH 140 640 399 HOH HOH C . WA 7 HOH 141 641 401 HOH HOH C . WA 7 HOH 142 642 406 HOH HOH C . WA 7 HOH 143 643 407 HOH HOH C . WA 7 HOH 144 644 409 HOH HOH C . WA 7 HOH 145 645 412 HOH HOH C . WA 7 HOH 146 646 416 HOH HOH C . WA 7 HOH 147 647 417 HOH HOH C . WA 7 HOH 148 648 420 HOH HOH C . WA 7 HOH 149 649 436 HOH HOH C . WA 7 HOH 150 650 448 HOH HOH C . WA 7 HOH 151 651 454 HOH HOH C . WA 7 HOH 152 652 463 HOH HOH C . WA 7 HOH 153 653 468 HOH HOH C . WA 7 HOH 154 654 469 HOH HOH C . WA 7 HOH 155 655 474 HOH HOH C . WA 7 HOH 156 656 481 HOH HOH C . WA 7 HOH 157 657 486 HOH HOH C . WA 7 HOH 158 658 487 HOH HOH C . WA 7 HOH 159 659 490 HOH HOH C . WA 7 HOH 160 660 492 HOH HOH C . WA 7 HOH 161 661 494 HOH HOH C . WA 7 HOH 162 662 495 HOH HOH C . WA 7 HOH 163 663 499 HOH HOH C . WA 7 HOH 164 664 504 HOH HOH C . WA 7 HOH 165 665 506 HOH HOH C . WA 7 HOH 166 666 510 HOH HOH C . WA 7 HOH 167 667 515 HOH HOH C . WA 7 HOH 168 668 517 HOH HOH C . WA 7 HOH 169 669 521 HOH HOH C . WA 7 HOH 170 670 532 HOH HOH C . WA 7 HOH 171 671 538 HOH HOH C . WA 7 HOH 172 672 539 HOH HOH C . WA 7 HOH 173 673 542 HOH HOH C . WA 7 HOH 174 674 543 HOH HOH C . WA 7 HOH 175 675 545 HOH HOH C . WA 7 HOH 176 676 546 HOH HOH C . WA 7 HOH 177 677 548 HOH HOH C . WA 7 HOH 178 678 549 HOH HOH C . WA 7 HOH 179 679 550 HOH HOH C . WA 7 HOH 180 680 562 HOH HOH C . WA 7 HOH 181 681 568 HOH HOH C . WA 7 HOH 182 682 571 HOH HOH C . WA 7 HOH 183 683 577 HOH HOH C . WA 7 HOH 184 684 579 HOH HOH C . WA 7 HOH 185 685 583 HOH HOH C . WA 7 HOH 186 686 584 HOH HOH C . WA 7 HOH 187 687 585 HOH HOH C . WA 7 HOH 188 688 586 HOH HOH C . WA 7 HOH 189 689 588 HOH HOH C . WA 7 HOH 190 690 613 HOH HOH C . WA 7 HOH 191 691 619 HOH HOH C . WA 7 HOH 192 692 627 HOH HOH C . WA 7 HOH 193 693 628 HOH HOH C . WA 7 HOH 194 694 631 HOH HOH C . WA 7 HOH 195 695 632 HOH HOH C . WA 7 HOH 196 696 633 HOH HOH C . WA 7 HOH 197 697 636 HOH HOH C . WA 7 HOH 198 698 640 HOH HOH C . WA 7 HOH 199 699 648 HOH HOH C . WA 7 HOH 200 700 657 HOH HOH C . WA 7 HOH 201 701 673 HOH HOH C . WA 7 HOH 202 702 675 HOH HOH C . WA 7 HOH 203 703 683 HOH HOH C . WA 7 HOH 204 704 693 HOH HOH C . WA 7 HOH 205 705 696 HOH HOH C . WA 7 HOH 206 706 700 HOH HOH C . WA 7 HOH 207 707 717 HOH HOH C . WA 7 HOH 208 708 722 HOH HOH C . WA 7 HOH 209 709 731 HOH HOH C . WA 7 HOH 210 710 735 HOH HOH C . WA 7 HOH 211 711 737 HOH HOH C . WA 7 HOH 212 712 753 HOH HOH C . WA 7 HOH 213 713 756 HOH HOH C . WA 7 HOH 214 714 759 HOH HOH C . WA 7 HOH 215 715 764 HOH HOH C . WA 7 HOH 216 716 774 HOH HOH C . WA 7 HOH 217 717 784 HOH HOH C . WA 7 HOH 218 718 785 HOH HOH C . WA 7 HOH 219 719 789 HOH HOH C . WA 7 HOH 220 720 790 HOH HOH C . WA 7 HOH 221 721 794 HOH HOH C . WA 7 HOH 222 722 795 HOH HOH C . WA 7 HOH 223 723 796 HOH HOH C . WA 7 HOH 224 724 798 HOH HOH C . WA 7 HOH 225 725 801 HOH HOH C . WA 7 HOH 226 726 809 HOH HOH C . WA 7 HOH 227 727 812 HOH HOH C . WA 7 HOH 228 728 814 HOH HOH C . WA 7 HOH 229 729 828 HOH HOH C . WA 7 HOH 230 730 829 HOH HOH C . WA 7 HOH 231 731 851 HOH HOH C . WA 7 HOH 232 732 852 HOH HOH C . WA 7 HOH 233 733 853 HOH HOH C . WA 7 HOH 234 734 861 HOH HOH C . WA 7 HOH 235 735 870 HOH HOH C . WA 7 HOH 236 736 874 HOH HOH C . WA 7 HOH 237 737 880 HOH HOH C . WA 7 HOH 238 738 883 HOH HOH C . WA 7 HOH 239 739 885 HOH HOH C . WA 7 HOH 240 740 886 HOH HOH C . WA 7 HOH 241 741 897 HOH HOH C . WA 7 HOH 242 742 899 HOH HOH C . WA 7 HOH 243 743 905 HOH HOH C . WA 7 HOH 244 744 906 HOH HOH C . WA 7 HOH 245 745 910 HOH HOH C . WA 7 HOH 246 746 925 HOH HOH C . WA 7 HOH 247 747 928 HOH HOH C . WA 7 HOH 248 748 930 HOH HOH C . WA 7 HOH 249 749 941 HOH HOH C . WA 7 HOH 250 750 942 HOH HOH C . WA 7 HOH 251 751 944 HOH HOH C . WA 7 HOH 252 752 948 HOH HOH C . WA 7 HOH 253 753 957 HOH HOH C . WA 7 HOH 254 754 967 HOH HOH C . WA 7 HOH 255 755 972 HOH HOH C . WA 7 HOH 256 756 973 HOH HOH C . WA 7 HOH 257 757 974 HOH HOH C . WA 7 HOH 258 758 979 HOH HOH C . WA 7 HOH 259 759 980 HOH HOH C . WA 7 HOH 260 760 982 HOH HOH C . WA 7 HOH 261 761 983 HOH HOH C . WA 7 HOH 262 762 985 HOH HOH C . WA 7 HOH 263 763 988 HOH HOH C . WA 7 HOH 264 764 990 HOH HOH C . WA 7 HOH 265 765 1001 HOH HOH C . WA 7 HOH 266 766 1002 HOH HOH C . WA 7 HOH 267 767 1003 HOH HOH C . WA 7 HOH 268 768 1020 HOH HOH C . WA 7 HOH 269 769 1021 HOH HOH C . WA 7 HOH 270 770 1026 HOH HOH C . WA 7 HOH 271 771 1048 HOH HOH C . WA 7 HOH 272 772 1050 HOH HOH C . WA 7 HOH 273 773 1051 HOH HOH C . WA 7 HOH 274 774 1065 HOH HOH C . XA 7 HOH 1 501 844 HOH HOH D . XA 7 HOH 2 502 1063 HOH HOH D . XA 7 HOH 3 503 813 HOH HOH D . XA 7 HOH 4 504 553 HOH HOH D . XA 7 HOH 5 505 776 HOH HOH D . XA 7 HOH 6 506 19 HOH HOH D . XA 7 HOH 7 507 257 HOH HOH D . XA 7 HOH 8 508 817 HOH HOH D . XA 7 HOH 9 509 76 HOH HOH D . XA 7 HOH 10 510 862 HOH HOH D . XA 7 HOH 11 511 866 HOH HOH D . XA 7 HOH 12 512 724 HOH HOH D . XA 7 HOH 13 513 20 HOH HOH D . XA 7 HOH 14 514 726 HOH HOH D . XA 7 HOH 15 515 482 HOH HOH D . XA 7 HOH 16 516 898 HOH HOH D . XA 7 HOH 17 517 29 HOH HOH D . XA 7 HOH 18 518 169 HOH HOH D . XA 7 HOH 19 519 621 HOH HOH D . XA 7 HOH 20 520 727 HOH HOH D . XA 7 HOH 21 521 705 HOH HOH D . XA 7 HOH 22 522 7 HOH HOH D . XA 7 HOH 23 523 805 HOH HOH D . XA 7 HOH 24 524 40 HOH HOH D . XA 7 HOH 25 525 969 HOH HOH D . XA 7 HOH 26 526 358 HOH HOH D . XA 7 HOH 27 527 968 HOH HOH D . XA 7 HOH 28 528 26 HOH HOH D . XA 7 HOH 29 529 227 HOH HOH D . XA 7 HOH 30 530 807 HOH HOH D . XA 7 HOH 31 531 130 HOH HOH D . XA 7 HOH 32 532 772 HOH HOH D . XA 7 HOH 33 533 1027 HOH HOH D . XA 7 HOH 34 534 9 HOH HOH D . XA 7 HOH 35 535 17 HOH HOH D . XA 7 HOH 36 536 18 HOH HOH D . XA 7 HOH 37 537 21 HOH HOH D . XA 7 HOH 38 538 23 HOH HOH D . XA 7 HOH 39 539 30 HOH HOH D . XA 7 HOH 40 540 34 HOH HOH D . XA 7 HOH 41 541 39 HOH HOH D . XA 7 HOH 42 542 50 HOH HOH D . XA 7 HOH 43 543 53 HOH HOH D . XA 7 HOH 44 544 54 HOH HOH D . XA 7 HOH 45 545 64 HOH HOH D . XA 7 HOH 46 546 68 HOH HOH D . XA 7 HOH 47 547 75 HOH HOH D . XA 7 HOH 48 548 78 HOH HOH D . XA 7 HOH 49 549 79 HOH HOH D . XA 7 HOH 50 550 80 HOH HOH D . XA 7 HOH 51 551 84 HOH HOH D . XA 7 HOH 52 552 88 HOH HOH D . XA 7 HOH 53 553 94 HOH HOH D . XA 7 HOH 54 554 97 HOH HOH D . XA 7 HOH 55 555 99 HOH HOH D . XA 7 HOH 56 556 102 HOH HOH D . XA 7 HOH 57 557 113 HOH HOH D . XA 7 HOH 58 558 114 HOH HOH D . XA 7 HOH 59 559 121 HOH HOH D . XA 7 HOH 60 560 128 HOH HOH D . XA 7 HOH 61 561 140 HOH HOH D . XA 7 HOH 62 562 150 HOH HOH D . XA 7 HOH 63 563 152 HOH HOH D . XA 7 HOH 64 564 153 HOH HOH D . XA 7 HOH 65 565 157 HOH HOH D . XA 7 HOH 66 566 160 HOH HOH D . XA 7 HOH 67 567 165 HOH HOH D . XA 7 HOH 68 568 167 HOH HOH D . XA 7 HOH 69 569 172 HOH HOH D . XA 7 HOH 70 570 173 HOH HOH D . XA 7 HOH 71 571 177 HOH HOH D . XA 7 HOH 72 572 185 HOH HOH D . XA 7 HOH 73 573 188 HOH HOH D . XA 7 HOH 74 574 189 HOH HOH D . XA 7 HOH 75 575 192 HOH HOH D . XA 7 HOH 76 576 196 HOH HOH D . XA 7 HOH 77 577 200 HOH HOH D . XA 7 HOH 78 578 203 HOH HOH D . XA 7 HOH 79 579 208 HOH HOH D . XA 7 HOH 80 580 219 HOH HOH D . XA 7 HOH 81 581 220 HOH HOH D . XA 7 HOH 82 582 221 HOH HOH D . XA 7 HOH 83 583 224 HOH HOH D . XA 7 HOH 84 584 235 HOH HOH D . XA 7 HOH 85 585 236 HOH HOH D . XA 7 HOH 86 586 243 HOH HOH D . XA 7 HOH 87 587 248 HOH HOH D . XA 7 HOH 88 588 261 HOH HOH D . XA 7 HOH 89 589 262 HOH HOH D . XA 7 HOH 90 590 272 HOH HOH D . XA 7 HOH 91 591 275 HOH HOH D . XA 7 HOH 92 592 276 HOH HOH D . XA 7 HOH 93 593 279 HOH HOH D . XA 7 HOH 94 594 280 HOH HOH D . XA 7 HOH 95 595 287 HOH HOH D . XA 7 HOH 96 596 292 HOH HOH D . XA 7 HOH 97 597 295 HOH HOH D . XA 7 HOH 98 598 304 HOH HOH D . XA 7 HOH 99 599 307 HOH HOH D . XA 7 HOH 100 600 309 HOH HOH D . XA 7 HOH 101 601 321 HOH HOH D . XA 7 HOH 102 602 323 HOH HOH D . XA 7 HOH 103 603 324 HOH HOH D . XA 7 HOH 104 604 328 HOH HOH D . XA 7 HOH 105 605 330 HOH HOH D . XA 7 HOH 106 606 331 HOH HOH D . XA 7 HOH 107 607 333 HOH HOH D . XA 7 HOH 108 608 340 HOH HOH D . XA 7 HOH 109 609 343 HOH HOH D . XA 7 HOH 110 610 345 HOH HOH D . XA 7 HOH 111 611 349 HOH HOH D . XA 7 HOH 112 612 350 HOH HOH D . XA 7 HOH 113 613 351 HOH HOH D . XA 7 HOH 114 614 352 HOH HOH D . XA 7 HOH 115 615 354 HOH HOH D . XA 7 HOH 116 616 355 HOH HOH D . XA 7 HOH 117 617 359 HOH HOH D . XA 7 HOH 118 618 362 HOH HOH D . XA 7 HOH 119 619 363 HOH HOH D . XA 7 HOH 120 620 366 HOH HOH D . XA 7 HOH 121 621 372 HOH HOH D . XA 7 HOH 122 622 385 HOH HOH D . XA 7 HOH 123 623 393 HOH HOH D . XA 7 HOH 124 624 400 HOH HOH D . XA 7 HOH 125 625 402 HOH HOH D . XA 7 HOH 126 626 410 HOH HOH D . XA 7 HOH 127 627 414 HOH HOH D . XA 7 HOH 128 628 419 HOH HOH D . XA 7 HOH 129 629 422 HOH HOH D . XA 7 HOH 130 630 424 HOH HOH D . XA 7 HOH 131 631 429 HOH HOH D . XA 7 HOH 132 632 434 HOH HOH D . XA 7 HOH 133 633 435 HOH HOH D . XA 7 HOH 134 634 439 HOH HOH D . XA 7 HOH 135 635 441 HOH HOH D . XA 7 HOH 136 636 447 HOH HOH D . XA 7 HOH 137 637 452 HOH HOH D . XA 7 HOH 138 638 453 HOH HOH D . XA 7 HOH 139 639 456 HOH HOH D . XA 7 HOH 140 640 458 HOH HOH D . XA 7 HOH 141 641 462 HOH HOH D . XA 7 HOH 142 642 477 HOH HOH D . XA 7 HOH 143 643 491 HOH HOH D . XA 7 HOH 144 644 493 HOH HOH D . XA 7 HOH 145 645 500 HOH HOH D . XA 7 HOH 146 646 513 HOH HOH D . XA 7 HOH 147 647 523 HOH HOH D . XA 7 HOH 148 648 531 HOH HOH D . XA 7 HOH 149 649 533 HOH HOH D . XA 7 HOH 150 650 540 HOH HOH D . XA 7 HOH 151 651 544 HOH HOH D . XA 7 HOH 152 652 554 HOH HOH D . XA 7 HOH 153 653 556 HOH HOH D . XA 7 HOH 154 654 557 HOH HOH D . XA 7 HOH 155 655 559 HOH HOH D . XA 7 HOH 156 656 566 HOH HOH D . XA 7 HOH 157 657 574 HOH HOH D . XA 7 HOH 158 658 575 HOH HOH D . XA 7 HOH 159 659 592 HOH HOH D . XA 7 HOH 160 660 595 HOH HOH D . XA 7 HOH 161 661 597 HOH HOH D . XA 7 HOH 162 662 603 HOH HOH D . XA 7 HOH 163 663 607 HOH HOH D . XA 7 HOH 164 664 610 HOH HOH D . XA 7 HOH 165 665 611 HOH HOH D . XA 7 HOH 166 666 617 HOH HOH D . XA 7 HOH 167 667 622 HOH HOH D . XA 7 HOH 168 668 623 HOH HOH D . XA 7 HOH 169 669 624 HOH HOH D . XA 7 HOH 170 670 625 HOH HOH D . XA 7 HOH 171 671 630 HOH HOH D . XA 7 HOH 172 672 635 HOH HOH D . XA 7 HOH 173 673 638 HOH HOH D . XA 7 HOH 174 674 642 HOH HOH D . XA 7 HOH 175 675 646 HOH HOH D . XA 7 HOH 176 676 647 HOH HOH D . XA 7 HOH 177 677 651 HOH HOH D . XA 7 HOH 178 678 652 HOH HOH D . XA 7 HOH 179 679 653 HOH HOH D . XA 7 HOH 180 680 654 HOH HOH D . XA 7 HOH 181 681 659 HOH HOH D . XA 7 HOH 182 682 660 HOH HOH D . XA 7 HOH 183 683 663 HOH HOH D . XA 7 HOH 184 684 666 HOH HOH D . XA 7 HOH 185 685 669 HOH HOH D . XA 7 HOH 186 686 672 HOH HOH D . XA 7 HOH 187 687 677 HOH HOH D . XA 7 HOH 188 688 680 HOH HOH D . XA 7 HOH 189 689 694 HOH HOH D . XA 7 HOH 190 690 699 HOH HOH D . XA 7 HOH 191 691 701 HOH HOH D . XA 7 HOH 192 692 709 HOH HOH D . XA 7 HOH 193 693 710 HOH HOH D . XA 7 HOH 194 694 719 HOH HOH D . XA 7 HOH 195 695 723 HOH HOH D . XA 7 HOH 196 696 730 HOH HOH D . XA 7 HOH 197 697 734 HOH HOH D . XA 7 HOH 198 698 736 HOH HOH D . XA 7 HOH 199 699 741 HOH HOH D . XA 7 HOH 200 700 748 HOH HOH D . XA 7 HOH 201 701 755 HOH HOH D . XA 7 HOH 202 702 758 HOH HOH D . XA 7 HOH 203 703 763 HOH HOH D . XA 7 HOH 204 704 766 HOH HOH D . XA 7 HOH 205 705 767 HOH HOH D . XA 7 HOH 206 706 770 HOH HOH D . XA 7 HOH 207 707 771 HOH HOH D . XA 7 HOH 208 708 773 HOH HOH D . XA 7 HOH 209 709 780 HOH HOH D . XA 7 HOH 210 710 781 HOH HOH D . XA 7 HOH 211 711 787 HOH HOH D . XA 7 HOH 212 712 791 HOH HOH D . XA 7 HOH 213 713 792 HOH HOH D . XA 7 HOH 214 714 800 HOH HOH D . XA 7 HOH 215 715 802 HOH HOH D . XA 7 HOH 216 716 803 HOH HOH D . XA 7 HOH 217 717 811 HOH HOH D . XA 7 HOH 218 718 815 HOH HOH D . XA 7 HOH 219 719 816 HOH HOH D . XA 7 HOH 220 720 819 HOH HOH D . XA 7 HOH 221 721 822 HOH HOH D . XA 7 HOH 222 722 827 HOH HOH D . XA 7 HOH 223 723 830 HOH HOH D . XA 7 HOH 224 724 845 HOH HOH D . XA 7 HOH 225 725 854 HOH HOH D . XA 7 HOH 226 726 856 HOH HOH D . XA 7 HOH 227 727 867 HOH HOH D . XA 7 HOH 228 728 869 HOH HOH D . XA 7 HOH 229 729 873 HOH HOH D . XA 7 HOH 230 730 877 HOH HOH D . XA 7 HOH 231 731 881 HOH HOH D . XA 7 HOH 232 732 884 HOH HOH D . XA 7 HOH 233 733 887 HOH HOH D . XA 7 HOH 234 734 891 HOH HOH D . XA 7 HOH 235 735 892 HOH HOH D . XA 7 HOH 236 736 895 HOH HOH D . XA 7 HOH 237 737 903 HOH HOH D . XA 7 HOH 238 738 904 HOH HOH D . XA 7 HOH 239 739 911 HOH HOH D . XA 7 HOH 240 740 914 HOH HOH D . XA 7 HOH 241 741 917 HOH HOH D . XA 7 HOH 242 742 918 HOH HOH D . XA 7 HOH 243 743 919 HOH HOH D . XA 7 HOH 244 744 927 HOH HOH D . XA 7 HOH 245 745 932 HOH HOH D . XA 7 HOH 246 746 933 HOH HOH D . XA 7 HOH 247 747 936 HOH HOH D . XA 7 HOH 248 748 937 HOH HOH D . XA 7 HOH 249 749 945 HOH HOH D . XA 7 HOH 250 750 955 HOH HOH D . XA 7 HOH 251 751 956 HOH HOH D . XA 7 HOH 252 752 958 HOH HOH D . XA 7 HOH 253 753 960 HOH HOH D . XA 7 HOH 254 754 961 HOH HOH D . XA 7 HOH 255 755 962 HOH HOH D . XA 7 HOH 256 756 964 HOH HOH D . XA 7 HOH 257 757 966 HOH HOH D . XA 7 HOH 258 758 970 HOH HOH D . XA 7 HOH 259 759 984 HOH HOH D . XA 7 HOH 260 760 993 HOH HOH D . XA 7 HOH 261 761 994 HOH HOH D . XA 7 HOH 262 762 995 HOH HOH D . XA 7 HOH 263 763 999 HOH HOH D . XA 7 HOH 264 764 1012 HOH HOH D . XA 7 HOH 265 765 1018 HOH HOH D . XA 7 HOH 266 766 1022 HOH HOH D . XA 7 HOH 267 767 1023 HOH HOH D . XA 7 HOH 268 768 1025 HOH HOH D . XA 7 HOH 269 769 1028 HOH HOH D . XA 7 HOH 270 770 1031 HOH HOH D . XA 7 HOH 271 771 1041 HOH HOH D . XA 7 HOH 272 772 1049 HOH HOH D . XA 7 HOH 273 773 1053 HOH HOH D . XA 7 HOH 274 774 1054 HOH HOH D . XA 7 HOH 275 775 1056 HOH HOH D . XA 7 HOH 276 776 1057 HOH HOH D . # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? monomeric 1 2 author_defined_assembly ? monomeric 1 3 author_defined_assembly ? monomeric 1 4 author_defined_assembly ? monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,E,F,G,H,I,J,K,L,M,N,O,P,UA 2 1 B,Q,R,S,T,U,V,W,X,Y,VA 3 1 C,Z,AA,BA,CA,DA,EA,FA,GA,HA,WA 4 1 D,IA,JA,KA,LA,MA,NA,OA,PA,QA,RA,SA,TA,XA # _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 2015-03-11 2 'Structure model' 1 1 2015-03-18 3 'Structure model' 1 2 2017-09-13 # _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 ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' Advisory 3 3 'Structure model' 'Author supporting evidence' 4 3 'Structure model' 'Derived calculations' 5 3 'Structure model' 'Source and taxonomy' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 3 'Structure model' entity_src_gen 2 3 'Structure model' pdbx_audit_support 3 3 'Structure model' pdbx_struct_assembly 4 3 'Structure model' pdbx_struct_oper_list 5 3 'Structure model' pdbx_validate_close_contact 6 3 'Structure model' struct_conn # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 3 'Structure model' '_entity_src_gen.pdbx_alt_source_flag' 2 3 'Structure model' '_pdbx_audit_support.funding_organization' 3 3 'Structure model' '_pdbx_struct_assembly.oligomeric_details' 4 3 'Structure model' '_pdbx_struct_oper_list.symmetry_operation' 5 3 'Structure model' '_struct_conn.id' # loop_ _pdbx_refine_tls.id _pdbx_refine_tls.pdbx_refine_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[1][1]_esd _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][2]_esd _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[1][3]_esd _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[2][2]_esd _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.T[2][3]_esd _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[3][3]_esd _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[1][1]_esd _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][2]_esd _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[1][3]_esd _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[2][2]_esd _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.L[2][3]_esd _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[3][3]_esd _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][1]_esd _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][2]_esd _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[1][3]_esd _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][1]_esd _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][2]_esd _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][3]_esd _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][1]_esd _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][2]_esd _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[3][3]_esd 1 'X-RAY DIFFRACTION' ? refined 1.0334 -14.4982 21.4187 0.0110 ? -0.0047 ? 0.0036 ? 0.0144 ? -0.0078 ? 0.0315 ? 0.1993 ? -0.1050 ? 0.0419 ? 0.3876 ? -0.3366 ? 1.1202 ? 0.0041 ? -0.0017 ? -0.0216 ? -0.0116 ? 0.0104 ? 0.0066 ? 0.0946 ? -0.0071 ? -0.0146 ? 2 'X-RAY DIFFRACTION' ? refined 0.3093 29.5096 25.8511 0.0156 ? 0.0084 ? 0.0022 ? 0.0162 ? -0.0029 ? 0.0260 ? 0.1432 ? -0.0543 ? -0.0645 ? 1.1837 ? 0.6691 ? 1.1073 ? 0.0203 ? 0.0322 ? -0.0170 ? -0.0625 ? -0.0244 ? 0.0079 ? -0.1103 ? -0.0835 ? 0.0040 ? 3 'X-RAY DIFFRACTION' ? refined -2.3867 -29.2064 -25.7174 0.0085 ? 0.0092 ? -0.0004 ? 0.0362 ? -0.0010 ? 0.0500 ? 0.2288 ? 0.1253 ? 0.0800 ? 0.9620 ? 0.4987 ? 0.8193 ? 0.0115 ? -0.0228 ? 0.0079 ? 0.0304 ? -0.0180 ? -0.0066 ? 0.0515 ? -0.0450 ? 0.0065 ? 4 'X-RAY DIFFRACTION' ? refined 0.8805 14.8439 -21.3974 0.0087 ? -0.0007 ? -0.0015 ? 0.0227 ? -0.0040 ? 0.0456 ? 0.1624 ? 0.0941 ? -0.0541 ? 0.7004 ? -0.3937 ? 1.0835 ? 0.0081 ? -0.0032 ? 0.0157 ? 0.0214 ? 0.0108 ? -0.0132 ? -0.0919 ? -0.0094 ? -0.0190 ? # loop_ _pdbx_refine_tls_group.id _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 1 'X-RAY DIFFRACTION' 1 ? ? A 4 ? ? A 404 ? ? 2 'X-RAY DIFFRACTION' 2 ? ? B 4 ? ? B 403 ? ? 3 'X-RAY DIFFRACTION' 3 ? ? C 4 ? ? C 403 ? ? 4 'X-RAY DIFFRACTION' 4 ? ? D 4 ? ? D 404 ? ? # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 1 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 2 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 3 ? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot ? ? ? . 4 ? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0073 5 ? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.15 6 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O B HOH 722 ? ? O D HOH 757 ? ? 2.10 2 1 O D HOH 519 ? ? O D HOH 523 ? ? 2.17 3 1 O A HOH 727 ? ? O A HOH 761 ? ? 2.17 4 1 SG C CYS 297 ? B O C HOH 737 ? ? 2.18 # loop_ _pdbx_validate_symm_contact.id _pdbx_validate_symm_contact.PDB_model_num _pdbx_validate_symm_contact.auth_atom_id_1 _pdbx_validate_symm_contact.auth_asym_id_1 _pdbx_validate_symm_contact.auth_comp_id_1 _pdbx_validate_symm_contact.auth_seq_id_1 _pdbx_validate_symm_contact.PDB_ins_code_1 _pdbx_validate_symm_contact.label_alt_id_1 _pdbx_validate_symm_contact.site_symmetry_1 _pdbx_validate_symm_contact.auth_atom_id_2 _pdbx_validate_symm_contact.auth_asym_id_2 _pdbx_validate_symm_contact.auth_comp_id_2 _pdbx_validate_symm_contact.auth_seq_id_2 _pdbx_validate_symm_contact.PDB_ins_code_2 _pdbx_validate_symm_contact.label_alt_id_2 _pdbx_validate_symm_contact.site_symmetry_2 _pdbx_validate_symm_contact.dist 1 1 O A HOH 528 ? ? 1_555 O C HOH 534 ? ? 1_556 2.02 2 1 O C HOH 533 ? ? 1_555 O C HOH 537 ? ? 1_655 2.08 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 NE A ARG 205 ? ? CZ A ARG 205 ? ? NH1 A ARG 205 ? ? 123.55 120.30 3.25 0.50 N 2 1 NE A ARG 205 ? ? CZ A ARG 205 ? ? NH2 A ARG 205 ? ? 116.59 120.30 -3.71 0.50 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASP A 23 ? ? -151.46 70.55 2 1 VAL A 52 ? ? 73.22 -57.34 3 1 TYR A 104 ? ? -124.06 -80.84 4 1 GLU A 121 ? ? -113.64 -90.77 5 1 GLU A 121 ? ? -113.82 -90.69 6 1 SER A 165 ? ? 54.89 -130.00 7 1 ILE A 215 ? ? -169.34 58.10 8 1 THR A 329 ? ? -129.62 -54.08 9 1 ASP B 23 ? ? -150.85 70.44 10 1 VAL B 52 ? ? 73.33 -58.11 11 1 TYR B 104 ? ? -122.45 -79.87 12 1 GLU B 121 ? ? -113.36 -91.46 13 1 SER B 165 ? ? 54.25 -127.57 14 1 THR B 329 ? ? -127.99 -55.06 15 1 ASP C 23 ? ? -151.01 69.95 16 1 VAL C 52 ? ? 74.28 -58.25 17 1 TYR C 104 ? ? -122.44 -78.70 18 1 GLU C 121 ? ? -113.47 -90.98 19 1 SER C 165 ? ? 54.50 -128.02 20 1 THR C 329 ? ? -128.40 -55.16 21 1 ASP D 23 ? ? -151.01 70.88 22 1 VAL D 52 ? ? 72.71 -57.95 23 1 TYR D 104 ? ? -123.67 -81.55 24 1 GLU D 121 ? A -112.41 -91.01 25 1 GLU D 121 ? B -119.63 -91.78 26 1 SER D 165 ? ? 55.20 -129.83 27 1 ILE D 215 ? ? -168.68 59.15 28 1 THR D 329 ? ? -128.45 -53.59 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A GLY 0 ? A GLY 1 2 1 Y 1 A ALA 1 ? A ALA 2 3 1 Y 1 A GLY 2 ? A GLY 3 4 1 Y 1 A ARG 3 ? A ARG 4 5 1 Y 1 B GLY 0 ? B GLY 1 6 1 Y 1 B ALA 1 ? B ALA 2 7 1 Y 1 B GLY 2 ? B GLY 3 8 1 Y 1 B ARG 3 ? B ARG 4 9 1 Y 1 C GLY 0 ? C GLY 1 10 1 Y 1 C ALA 1 ? C ALA 2 11 1 Y 1 C GLY 2 ? C GLY 3 12 1 Y 1 C ARG 3 ? C ARG 4 13 1 Y 1 D GLY 0 ? D GLY 1 14 1 Y 1 D ALA 1 ? D ALA 2 15 1 Y 1 D GLY 2 ? D GLY 3 16 1 Y 1 D ARG 3 ? D ARG 4 # _pdbx_audit_support.funding_organization 'National Institutes of Health/National Heart, Lung, and Blood Institute' _pdbx_audit_support.country 'United States' _pdbx_audit_support.grant_number HL086865 _pdbx_audit_support.ordinal 1 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' EPE 4 'CHLORIDE ION' CL 5 'PHOSPHATE ION' PO4 6 '(4S)-2-METHYL-2,4-PENTANEDIOL' MPD 7 water HOH #