data_3M8M # _entry.id 3M8M # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3M8M RCSB RCSB058245 WWPDB D_1000058245 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1YYD . unspecified PDB 1MNP . unspecified PDB 1YZP . unspecified PDB 3M5Q . unspecified # _pdbx_database_status.entry_id 3M8M _pdbx_database_status.status_code REL _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2010-03-18 _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Sundaramoorthy, M.' 1 'Gold, M.H.' 2 'Poulos, T.L.' 3 # loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.journal_id_ASTM _citation.country _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_publisher _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary ;Ultrahigh (0.93A) resolution structure of manganese peroxidase from Phanerochaete chrysosporium: implications for the catalytic mechanism. ; J.Inorg.Biochem. 104 683 690 2010 JIBIDJ US 0162-0134 0525 ? 20356630 10.1016/j.jinorgbio.2010.02.011 1 'High-resolution crystal structure of manganese peroxidase: substrate and inhibitor complexes.' Biochemistry 44 6463 6470 2005 BICHAW US 0006-2960 0033 ? 15850380 10.1021/bi047318e 2 'The crystal structure of manganese peroxidase from Phanerochaete chrysosporium at 2.06-A resolution.' J.Biol.Chem. 269 32759 32767 1994 JBCHA3 US 0021-9258 0071 ? 7806497 ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Sundaramoorthy, M.' 1 primary 'Gold, M.H.' 2 primary 'Poulos, T.L.' 3 1 'Sundaramoorthy, M.' 4 1 'Youngs, H.L.' 5 1 'Gold, M.H.' 6 1 'Poulos, T.L.' 7 2 'Sundaramoorthy, M.' 8 2 'Kishi, K.' 9 2 'Gold, M.H.' 10 2 'Poulos, T.L.' 11 # _cell.entry_id 3M8M _cell.length_a 160.570 _cell.length_b 45.300 _cell.length_c 52.830 _cell.angle_alpha 90.000 _cell.angle_beta 97.310 _cell.angle_gamma 90.000 _cell.pdbx_unique_axis ? _cell.Z_PDB 4 _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3M8M _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.Int_Tables_number 5 _symmetry.cell_setting ? _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat 'Manganese peroxidase 1' 37482.973 1 1.11.1.13 ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 3 non-polymer man ALPHA-D-MANNOSE 180.156 1 ? ? ? ? 4 non-polymer syn 'CALCIUM ION' 40.078 2 ? ? ? ? 5 non-polymer syn GLYCEROL 92.094 2 ? ? ? ? 6 non-polymer syn 'PROTOPORPHYRIN IX CONTAINING FE' 616.487 1 ? ? ? ? 7 water nat water 18.015 561 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'MnP-1, MnP1, Manganese peroxidase isozyme 1, Peroxidase manganese-dependent 1, Peroxidase manganese-dependent I' # _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 ;AVCPDGTRVSHAACCAFIPLAQDLQETIFQNECGEDAHEVIRLTFHDAIAISRSQGPKAGGGADGSMLLFPTVEPNFSAN NGIDDSVNNLIPFMQKHNTISAADLVQFAGAVALSNCPGAPRLEFLAGRPNKTIAAVDGLIPEPQDSVTKILQRFEDAGG FTPFEVVSLLASHSVARADKVDQTIDAAPFDSTPFTFDTQVFLEVLLKGVGFPGSANNTGEVASPLPLGSGSDTGEMRLQ SDFALAHDPRTACIWQGFVNEQAFMAASFRAAMSKLAVLGHNRNSLIDCSDVVPVPKPATGQPAMFPASTGPQDLELSCP SERFPTLTTQPGASQSLIAHCPDGSMSCPGVQFNGPA ; _entity_poly.pdbx_seq_one_letter_code_can ;AVCPDGTRVSHAACCAFIPLAQDLQETIFQNECGEDAHEVIRLTFHDAIAISRSQGPKAGGGADGSMLLFPTVEPNFSAN NGIDDSVNNLIPFMQKHNTISAADLVQFAGAVALSNCPGAPRLEFLAGRPNKTIAAVDGLIPEPQDSVTKILQRFEDAGG FTPFEVVSLLASHSVARADKVDQTIDAAPFDSTPFTFDTQVFLEVLLKGVGFPGSANNTGEVASPLPLGSGSDTGEMRLQ SDFALAHDPRTACIWQGFVNEQAFMAASFRAAMSKLAVLGHNRNSLIDCSDVVPVPKPATGQPAMFPASTGPQDLELSCP SERFPTLTTQPGASQSLIAHCPDGSMSCPGVQFNGPA ; _entity_poly.pdbx_strand_id A _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 ALA n 1 2 VAL n 1 3 CYS n 1 4 PRO n 1 5 ASP n 1 6 GLY n 1 7 THR n 1 8 ARG n 1 9 VAL n 1 10 SER n 1 11 HIS n 1 12 ALA n 1 13 ALA n 1 14 CYS n 1 15 CYS n 1 16 ALA n 1 17 PHE n 1 18 ILE n 1 19 PRO n 1 20 LEU n 1 21 ALA n 1 22 GLN n 1 23 ASP n 1 24 LEU n 1 25 GLN n 1 26 GLU n 1 27 THR n 1 28 ILE n 1 29 PHE n 1 30 GLN n 1 31 ASN n 1 32 GLU n 1 33 CYS n 1 34 GLY n 1 35 GLU n 1 36 ASP n 1 37 ALA n 1 38 HIS n 1 39 GLU n 1 40 VAL n 1 41 ILE n 1 42 ARG n 1 43 LEU n 1 44 THR n 1 45 PHE n 1 46 HIS n 1 47 ASP n 1 48 ALA n 1 49 ILE n 1 50 ALA n 1 51 ILE n 1 52 SER n 1 53 ARG n 1 54 SER n 1 55 GLN n 1 56 GLY n 1 57 PRO n 1 58 LYS n 1 59 ALA n 1 60 GLY n 1 61 GLY n 1 62 GLY n 1 63 ALA n 1 64 ASP n 1 65 GLY n 1 66 SER n 1 67 MET n 1 68 LEU n 1 69 LEU n 1 70 PHE n 1 71 PRO n 1 72 THR n 1 73 VAL n 1 74 GLU n 1 75 PRO n 1 76 ASN n 1 77 PHE n 1 78 SER n 1 79 ALA n 1 80 ASN n 1 81 ASN n 1 82 GLY n 1 83 ILE n 1 84 ASP n 1 85 ASP n 1 86 SER n 1 87 VAL n 1 88 ASN n 1 89 ASN n 1 90 LEU n 1 91 ILE n 1 92 PRO n 1 93 PHE n 1 94 MET n 1 95 GLN n 1 96 LYS n 1 97 HIS n 1 98 ASN n 1 99 THR n 1 100 ILE n 1 101 SER n 1 102 ALA n 1 103 ALA n 1 104 ASP n 1 105 LEU n 1 106 VAL n 1 107 GLN n 1 108 PHE n 1 109 ALA n 1 110 GLY n 1 111 ALA n 1 112 VAL n 1 113 ALA n 1 114 LEU n 1 115 SER n 1 116 ASN n 1 117 CYS n 1 118 PRO n 1 119 GLY n 1 120 ALA n 1 121 PRO n 1 122 ARG n 1 123 LEU n 1 124 GLU n 1 125 PHE n 1 126 LEU n 1 127 ALA n 1 128 GLY n 1 129 ARG n 1 130 PRO n 1 131 ASN n 1 132 LYS n 1 133 THR n 1 134 ILE n 1 135 ALA n 1 136 ALA n 1 137 VAL n 1 138 ASP n 1 139 GLY n 1 140 LEU n 1 141 ILE n 1 142 PRO n 1 143 GLU n 1 144 PRO n 1 145 GLN n 1 146 ASP n 1 147 SER n 1 148 VAL n 1 149 THR n 1 150 LYS n 1 151 ILE n 1 152 LEU n 1 153 GLN n 1 154 ARG n 1 155 PHE n 1 156 GLU n 1 157 ASP n 1 158 ALA n 1 159 GLY n 1 160 GLY n 1 161 PHE n 1 162 THR n 1 163 PRO n 1 164 PHE n 1 165 GLU n 1 166 VAL n 1 167 VAL n 1 168 SER n 1 169 LEU n 1 170 LEU n 1 171 ALA n 1 172 SER n 1 173 HIS n 1 174 SER n 1 175 VAL n 1 176 ALA n 1 177 ARG n 1 178 ALA n 1 179 ASP n 1 180 LYS n 1 181 VAL n 1 182 ASP n 1 183 GLN n 1 184 THR n 1 185 ILE n 1 186 ASP n 1 187 ALA n 1 188 ALA n 1 189 PRO n 1 190 PHE n 1 191 ASP n 1 192 SER n 1 193 THR n 1 194 PRO n 1 195 PHE n 1 196 THR n 1 197 PHE n 1 198 ASP n 1 199 THR n 1 200 GLN n 1 201 VAL n 1 202 PHE n 1 203 LEU n 1 204 GLU n 1 205 VAL n 1 206 LEU n 1 207 LEU n 1 208 LYS n 1 209 GLY n 1 210 VAL n 1 211 GLY n 1 212 PHE n 1 213 PRO n 1 214 GLY n 1 215 SER n 1 216 ALA n 1 217 ASN n 1 218 ASN n 1 219 THR n 1 220 GLY n 1 221 GLU n 1 222 VAL n 1 223 ALA n 1 224 SER n 1 225 PRO n 1 226 LEU n 1 227 PRO n 1 228 LEU n 1 229 GLY n 1 230 SER n 1 231 GLY n 1 232 SER n 1 233 ASP n 1 234 THR n 1 235 GLY n 1 236 GLU n 1 237 MET n 1 238 ARG n 1 239 LEU n 1 240 GLN n 1 241 SER n 1 242 ASP n 1 243 PHE n 1 244 ALA n 1 245 LEU n 1 246 ALA n 1 247 HIS n 1 248 ASP n 1 249 PRO n 1 250 ARG n 1 251 THR n 1 252 ALA n 1 253 CYS n 1 254 ILE n 1 255 TRP n 1 256 GLN n 1 257 GLY n 1 258 PHE n 1 259 VAL n 1 260 ASN n 1 261 GLU n 1 262 GLN n 1 263 ALA n 1 264 PHE n 1 265 MET n 1 266 ALA n 1 267 ALA n 1 268 SER n 1 269 PHE n 1 270 ARG n 1 271 ALA n 1 272 ALA n 1 273 MET n 1 274 SER n 1 275 LYS n 1 276 LEU n 1 277 ALA n 1 278 VAL n 1 279 LEU n 1 280 GLY n 1 281 HIS n 1 282 ASN n 1 283 ARG n 1 284 ASN n 1 285 SER n 1 286 LEU n 1 287 ILE n 1 288 ASP n 1 289 CYS n 1 290 SER n 1 291 ASP n 1 292 VAL n 1 293 VAL n 1 294 PRO n 1 295 VAL n 1 296 PRO n 1 297 LYS n 1 298 PRO n 1 299 ALA n 1 300 THR n 1 301 GLY n 1 302 GLN n 1 303 PRO n 1 304 ALA n 1 305 MET n 1 306 PHE n 1 307 PRO n 1 308 ALA n 1 309 SER n 1 310 THR n 1 311 GLY n 1 312 PRO n 1 313 GLN n 1 314 ASP n 1 315 LEU n 1 316 GLU n 1 317 LEU n 1 318 SER n 1 319 CYS n 1 320 PRO n 1 321 SER n 1 322 GLU n 1 323 ARG n 1 324 PHE n 1 325 PRO n 1 326 THR n 1 327 LEU n 1 328 THR n 1 329 THR n 1 330 GLN n 1 331 PRO n 1 332 GLY n 1 333 ALA n 1 334 SER n 1 335 GLN n 1 336 SER n 1 337 LEU n 1 338 ILE n 1 339 ALA n 1 340 HIS n 1 341 CYS n 1 342 PRO n 1 343 ASP n 1 344 GLY n 1 345 SER n 1 346 MET n 1 347 SER n 1 348 CYS n 1 349 PRO n 1 350 GLY n 1 351 VAL n 1 352 GLN n 1 353 PHE n 1 354 ASN n 1 355 GLY n 1 356 PRO n 1 357 ALA n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name 'White-rot fungus' _entity_src_nat.pdbx_organism_scientific 'Phanerochaete chrysosporium' _entity_src_nat.pdbx_ncbi_taxonomy_id 5306 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code PEM1_PHACH _struct_ref.pdbx_db_accession Q02567 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;AVCPDGTRVSHAACCAFIPLAQDLQETIFQNECGEDAHEVIRLTFHDAIAISRSQGPKAGGGADGSMLLFPTVEPNFSAN NGIDDSVNNLIPFMQKHNTISAADLVQFAGAVALSNCPGAPRLEFLAGRPNKTIAAVDGLIPEPQDSVTKILQRFEDAGG FTPFEVVSLLASHSVARADKVDQTIDAAPFDSTPFTFDTQVFLEVLLKGVGFPGSANNTGEVASPLPLGSGSDTGEMRLQ SDFALAHDPRTACIWQGFVNEQAFMAASFRAAMSKLAVLGHNRNSLIDCSDVVPVPKPATGQPAMFPASTGPQDLELSCP SERFPTLTTQPGASQSLIAHCPDGSMSCPGVQFNGPA ; _struct_ref.pdbx_align_begin 22 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 3M8M _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 357 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q02567 _struct_ref_seq.db_align_beg 22 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 378 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 357 # 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 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 HEM non-polymer . 'PROTOPORPHYRIN IX CONTAINING FE' HEME 'C34 H32 Fe N4 O4' 616.487 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.crystals_number 1 _exptl.entry_id 3M8M _exptl.method 'X-RAY DIFFRACTION' # _exptl_crystal.id 1 _exptl_crystal.density_Matthews 2.54 _exptl_crystal.density_meas ? _exptl_crystal.density_percent_sol 51.62 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.temp 298 _exptl_crystal_grow.pdbx_details '20% PEG 8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate, pH 6.5, Vapor diffusion, hanging drop, temperature 298K' _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 113 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'MAR scanner 300 mm plate' _diffrn_detector.pdbx_collection_date 1997-12-10 _diffrn_detector.details Monochromator # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.monochromator Graphite _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.08 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SSRL BEAMLINE BL7-1' _diffrn_source.pdbx_wavelength_list 1.08 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_site SSRL _diffrn_source.pdbx_synchrotron_beamline BL7-1 # _reflns.entry_id 3M8M _reflns.observed_criterion_sigma_F 1.4 _reflns.observed_criterion_sigma_I 2.0 _reflns.d_resolution_high 1.05 _reflns.d_resolution_low 160 _reflns.number_all ? _reflns.number_obs 161090 _reflns.percent_possible_obs 91.2 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.05 _reflns.pdbx_netI_over_sigmaI 9.0 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 4.1 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 # _reflns_shell.d_res_high 1.05 _reflns_shell.d_res_low 1.08 _reflns_shell.number_measured_obs ? _reflns_shell.number_measured_all ? _reflns_shell.number_unique_obs ? _reflns_shell.Rmerge_I_obs ? _reflns_shell.meanI_over_sigI_obs 3.4 _reflns_shell.pdbx_Rsym_value 0.21 _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_redundancy 2.7 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.percent_possible_all 79.3 _reflns_shell.pdbx_diffrn_id ? _reflns_shell.pdbx_ordinal 1 # _refine.entry_id 3M8M _refine.ls_d_res_high 1.050 _refine.ls_d_res_low 8.000 _refine.pdbx_ls_sigma_F 0.00 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_percent_reflns_obs 89.700 _refine.ls_number_reflns_obs 156881 _refine.ls_number_reflns_all 156881 _refine.pdbx_ls_cross_valid_method 'FREE R' _refine.pdbx_R_Free_selection_details RANDOM _refine.details 'ANISOTROPIC REFINEMENT REDUCED FREE R (NO CUTOFF) BY 0.023' _refine.ls_R_factor_all 0.116 _refine.ls_R_factor_obs 0.116 _refine.ls_R_factor_R_work 0.117 _refine.ls_wR_factor_R_work ? _refine.ls_R_factor_R_free 0.139 _refine.ls_wR_factor_R_free ? _refine.ls_percent_reflns_R_free 2 _refine.ls_number_reflns_R_free 3352 _refine.ls_R_factor_R_free_error ? _refine.B_iso_mean 13.167 _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.pdbx_isotropic_thermal_model ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.solvent_model_details 'MOEWS & KRETSINGER, J.MOL.BIOL.91(1973)201-228' _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.ls_number_parameters 30135 _refine.ls_number_restraints 36425 _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'AB INITIO' _refine.pdbx_stereochemistry_target_values 'ENGH AND HUBER' _refine.pdbx_stereochem_target_val_spec_case ? _refine.overall_FOM_work_R_set ? _refine.B_iso_max 105.89 _refine.B_iso_min 4.92 _refine.occupancy_max 1.00 _refine.occupancy_min 0.52 _refine.pdbx_ls_sigma_I ? _refine.ls_redundancy_reflns_obs ? _refine.ls_R_factor_R_free_error_details ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.overall_FOM_free_R_set ? _refine.pdbx_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_ESU_R ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2623 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 96 _refine_hist.number_atoms_solvent 561 _refine_hist.number_atoms_total 3280 _refine_hist.d_res_high 1.050 _refine_hist.d_res_low 8.000 # loop_ _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function s_bond_d ? 0.017 ? ? 'X-RAY DIFFRACTION' ? s_angle_d ? 0.038 ? ? 'X-RAY DIFFRACTION' ? s_similar_dist ? 0.000 ? ? 'X-RAY DIFFRACTION' ? s_from_restr_planes ? 0.029 ? ? 'X-RAY DIFFRACTION' ? s_zero_chiral_vol ? 0.131 ? ? 'X-RAY DIFFRACTION' ? s_non_zero_chiral_vol ? 0.154 ? ? 'X-RAY DIFFRACTION' ? s_anti_bump_dis_restr ? 0.058 ? ? 'X-RAY DIFFRACTION' ? s_rigid_bond_adp_cmpnt ? 0.005 ? ? 'X-RAY DIFFRACTION' ? s_similar_adp_cmpnt ? 0.051 ? ? 'X-RAY DIFFRACTION' ? s_approx_iso_adps ? 0.097 ? ? 'X-RAY DIFFRACTION' ? # _pdbx_refine.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine.R_factor_all_4sig_cutoff 0.111 _pdbx_refine.R_factor_all_no_cutoff 0.116 _pdbx_refine.number_reflns_obs_4sig_cutoff 144728 _pdbx_refine.entry_id 3M8M _pdbx_refine.R_factor_obs_no_cutoff ? _pdbx_refine.free_R_factor_no_cutoff ? _pdbx_refine.free_R_error_no_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_no_cutoff ? _pdbx_refine.free_R_val_test_set_ct_no_cutoff ? _pdbx_refine.R_factor_obs_4sig_cutoff ? _pdbx_refine.free_R_factor_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_ct_4sig_cutoff ? # _struct.entry_id 3M8M _struct.title '1.05 A Structure of Manganese-free Manganese Peroxidase' _struct.pdbx_descriptor '1.05 A Structure of Manganese-free Manganese Peroxidase' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3M8M _struct_keywords.text ;Peroxidase, heme, Mn(II)-binding site, Ca(II)-binding site, glycosylation, high resolution, Calcium, Disulfide bond, Glycoprotein, Hydrogen peroxide, Iron, Lignin degradation, Manganese, Metal-binding, Oxidoreductase, Secreted ; _struct_keywords.pdbx_keywords OXIDOREDUCTASE # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 4 ? F N N 4 ? G N N 5 ? H N N 5 ? I N N 6 ? J N N 7 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 HIS A 11 ? CYS A 15 ? HIS A 11 CYS A 15 5 ? 5 HELX_P HELX_P2 2 ALA A 16 ? ILE A 28 ? ALA A 16 ILE A 28 1 ? 13 HELX_P HELX_P3 3 GLY A 34 ? ALA A 50 ? GLY A 34 ALA A 50 1 ? 17 HELX_P HELX_P4 4 GLY A 56 ? GLY A 60 ? GLY A 56 GLY A 60 5 ? 5 HELX_P HELX_P5 5 GLY A 65 ? PHE A 70 ? GLY A 65 PHE A 70 1 ? 6 HELX_P HELX_P6 6 VAL A 73 ? ASN A 81 ? VAL A 73 ASN A 81 5 ? 9 HELX_P HELX_P7 7 ILE A 83 ? HIS A 97 ? ILE A 83 HIS A 97 1 ? 15 HELX_P HELX_P8 8 SER A 101 ? ASN A 116 ? SER A 101 ASN A 116 1 ? 16 HELX_P HELX_P9 9 SER A 147 ? GLY A 160 ? SER A 147 GLY A 160 1 ? 14 HELX_P HELX_P10 10 THR A 162 ? LEU A 170 ? THR A 162 LEU A 170 1 ? 9 HELX_P HELX_P11 11 ALA A 171 ? VAL A 175 ? ALA A 171 VAL A 175 5 ? 5 HELX_P HELX_P12 12 THR A 199 ? LEU A 206 ? THR A 199 LEU A 206 1 ? 8 HELX_P HELX_P13 13 GLN A 240 ? ASP A 248 ? GLN A 240 ASP A 248 1 ? 9 HELX_P HELX_P14 14 THR A 251 ? PHE A 258 ? THR A 251 PHE A 258 1 ? 8 HELX_P HELX_P15 15 GLU A 261 ? ALA A 277 ? GLU A 261 ALA A 277 1 ? 17 HELX_P HELX_P16 16 ASN A 282 ? LEU A 286 ? ASN A 282 LEU A 286 5 ? 5 HELX_P HELX_P17 17 SER A 290 ? VAL A 293 ? SER A 290 VAL A 293 5 ? 4 HELX_P HELX_P18 18 GLY A 311 ? LEU A 315 ? GLY A 311 LEU A 315 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 3 SG ? ? ? 1_555 A CYS 15 SG ? ? A CYS 3 A CYS 15 1_555 ? ? ? ? ? ? ? 2.074 ? disulf2 disulf ? ? A CYS 14 SG ? ? ? 1_555 A CYS 289 SG ? ? A CYS 14 A CYS 289 1_555 ? ? ? ? ? ? ? 2.036 ? disulf3 disulf ? ? A CYS 33 SG ? ? ? 1_555 A CYS 117 SG ? ? A CYS 33 A CYS 117 1_555 ? ? ? ? ? ? ? 2.044 ? disulf4 disulf ? ? A CYS 253 SG ? ? ? 1_555 A CYS 319 SG ? ? A CYS 253 A CYS 319 1_555 ? ? ? ? ? ? ? 2.069 ? disulf5 disulf ? ? A CYS 341 SG ? ? ? 1_555 A CYS 348 SG ? ? A CYS 341 A CYS 348 1_555 ? ? ? ? ? ? ? 2.049 ? covale1 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 361 A NAG 362 1_555 ? ? ? ? ? ? ? 1.405 ? covale2 covale ? ? A ASN 131 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 131 A NAG 361 1_555 ? ? ? ? ? ? ? 1.436 ? metalc1 metalc ? ? A HIS 173 NE2 ? ? ? 1_555 I HEM . FE ? ? A HIS 173 A HEM 396 1_555 ? ? ? ? ? ? ? 2.105 ? metalc2 metalc ? ? A ASP 47 OD2 ? ? ? 1_555 F CA . CA ? ? A ASP 47 A CA 372 1_555 ? ? ? ? ? ? ? 2.306 ? metalc3 metalc ? ? F CA . CA ? ? ? 1_555 J HOH . O ? ? A CA 372 A HOH 1127 1_555 ? ? ? ? ? ? ? 2.346 ? metalc4 metalc ? ? A SER 174 O ? ? ? 1_555 E CA . CA ? ? A SER 174 A CA 371 1_555 ? ? ? ? ? ? ? 2.360 ? metalc5 metalc ? ? I HEM . FE ? ? ? 1_555 J HOH . O ? ? A HEM 396 A HOH 1137 1_555 ? ? ? ? ? ? ? 2.365 ? metalc6 metalc ? ? A THR 193 O ? ? ? 1_555 E CA . CA ? ? A THR 193 A CA 371 1_555 ? ? ? ? ? ? ? 2.368 ? metalc7 metalc ? ? F CA . CA ? ? ? 1_555 J HOH . O ? ? A CA 372 A HOH 1085 1_555 ? ? ? ? ? ? ? 2.385 ? metalc8 metalc ? ? A ASP 64 OD1 ? ? ? 1_555 F CA . CA ? ? A ASP 64 A CA 372 1_555 ? ? ? ? ? ? ? 2.388 ? metalc9 metalc ? ? A ASP 191 OD2 ? ? ? 1_555 E CA . CA ? ? A ASP 191 A CA 371 1_555 ? ? ? ? ? ? ? 2.416 ? metalc10 metalc ? ? A GLY 62 O ? ? ? 1_555 F CA . CA ? ? A GLY 62 A CA 372 1_555 ? ? ? ? ? ? ? 2.440 ? metalc11 metalc ? ? A ASP 47 O ? ? ? 1_555 F CA . CA ? ? A ASP 47 A CA 372 1_555 ? ? ? ? ? ? ? 2.442 ? metalc12 metalc ? ? A ASP 198 OD1 ? ? ? 1_555 E CA . CA ? ? A ASP 198 A CA 371 1_555 ? ? ? ? ? ? ? 2.458 ? metalc13 metalc ? ? A SER 174 OG ? ? ? 1_555 E CA . CA ? ? A SER 174 A CA 371 1_555 ? ? ? ? ? ? ? 2.472 ? metalc14 metalc ? ? A SER 66 OG ? ? ? 1_555 F CA . CA ? ? A SER 66 A CA 372 1_555 ? ? ? ? ? ? ? 2.486 ? metalc15 metalc ? ? A THR 196 O ? ? ? 1_555 E CA . CA ? ? A THR 196 A CA 371 1_555 ? ? ? ? ? ? ? 2.493 ? metalc16 metalc ? ? A THR 193 OG1 ? ? ? 1_555 E CA . CA ? ? A THR 193 A CA 371 1_555 ? ? ? ? ? ? ? 2.500 ? metalc17 metalc ? ? A ASP 191 OD1 ? ? ? 1_555 E CA . CA ? ? A ASP 191 A CA 371 1_555 ? ? ? ? ? ? ? 2.635 ? covale3 covale ? ? A SER 336 OG ? ? ? 1_555 D MAN . C1 ? ? A SER 336 A MAN 364 1_555 ? ? ? ? ? ? ? 1.399 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 2 ? C ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel B 1 2 ? anti-parallel C 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 LEU A 126 ? ALA A 127 ? LEU A 126 ALA A 127 A 2 ILE A 287 ? ASP A 288 ? ILE A 287 ASP A 288 B 1 ARG A 177 ? ALA A 178 ? ARG A 177 ALA A 178 B 2 ALA A 188 ? PRO A 189 ? ALA A 188 PRO A 189 C 1 GLU A 221 ? VAL A 222 ? GLU A 221 VAL A 222 C 2 ARG A 238 ? LEU A 239 ? ARG A 238 LEU A 239 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N ALA A 127 ? N ALA A 127 O ILE A 287 ? O ILE A 287 B 1 2 N ALA A 178 ? N ALA A 178 O ALA A 188 ? O ALA A 188 C 1 2 N VAL A 222 ? N VAL A 222 O ARG A 238 ? O ARG A 238 # 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 ? ? ? ? 9 'BINDING SITE FOR RESIDUE NAG A 361' AC2 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG A 362' AC3 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE MAN A 364' AC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE CA A 371' AC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA A 372' AC6 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE GOL A 391' AC7 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE GOL A 392' AC8 Software ? ? ? ? 27 'BINDING SITE FOR RESIDUE HEM A 396' # 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 9 ASN A 98 ? ASN A 98 . ? 1_555 ? 2 AC1 9 THR A 99 ? THR A 99 . ? 1_555 ? 3 AC1 9 ASN A 131 ? ASN A 131 . ? 1_555 ? 4 AC1 9 NAG C . ? NAG A 362 . ? 1_555 ? 5 AC1 9 HOH J . ? HOH A 1090 . ? 1_555 ? 6 AC1 9 HOH J . ? HOH A 1117 . ? 1_555 ? 7 AC1 9 HOH J . ? HOH A 1242 . ? 1_555 ? 8 AC1 9 HOH J . ? HOH A 1303 . ? 1_555 ? 9 AC1 9 HOH J . ? HOH A 1487 . ? 1_555 ? 10 AC2 7 MET A 94 ? MET A 94 . ? 1_555 ? 11 AC2 7 GLN A 95 ? GLN A 95 . ? 1_555 ? 12 AC2 7 ASN A 98 ? ASN A 98 . ? 1_555 ? 13 AC2 7 NAG B . ? NAG A 361 . ? 1_555 ? 14 AC2 7 HOH J . ? HOH A 1228 . ? 1_555 ? 15 AC2 7 HOH J . ? HOH A 1451 . ? 1_555 ? 16 AC2 7 HOH J . ? HOH A 1572 . ? 1_555 ? 17 AC3 7 HIS A 11 ? HIS A 11 . ? 1_554 ? 18 AC3 7 PRO A 331 ? PRO A 331 . ? 1_555 ? 19 AC3 7 GLY A 332 ? GLY A 332 . ? 1_555 ? 20 AC3 7 ALA A 333 ? ALA A 333 . ? 1_555 ? 21 AC3 7 SER A 334 ? SER A 334 . ? 1_555 ? 22 AC3 7 GLN A 335 ? GLN A 335 . ? 1_555 ? 23 AC3 7 SER A 336 ? SER A 336 . ? 1_555 ? 24 AC4 5 SER A 174 ? SER A 174 . ? 1_555 ? 25 AC4 5 ASP A 191 ? ASP A 191 . ? 1_555 ? 26 AC4 5 THR A 193 ? THR A 193 . ? 1_555 ? 27 AC4 5 THR A 196 ? THR A 196 . ? 1_555 ? 28 AC4 5 ASP A 198 ? ASP A 198 . ? 1_555 ? 29 AC5 6 ASP A 47 ? ASP A 47 . ? 1_555 ? 30 AC5 6 GLY A 62 ? GLY A 62 . ? 1_555 ? 31 AC5 6 ASP A 64 ? ASP A 64 . ? 1_555 ? 32 AC5 6 SER A 66 ? SER A 66 . ? 1_555 ? 33 AC5 6 HOH J . ? HOH A 1085 . ? 1_555 ? 34 AC5 6 HOH J . ? HOH A 1127 . ? 1_555 ? 35 AC6 7 ASP A 23 ? ASP A 23 . ? 1_555 ? 36 AC6 7 THR A 27 ? THR A 27 . ? 1_555 ? 37 AC6 7 LYS A 96 ? LYS A 96 . ? 1_555 ? 38 AC6 7 GLU A 156 ? GLU A 156 . ? 1_565 ? 39 AC6 7 HOH J . ? HOH A 1092 . ? 1_565 ? 40 AC6 7 HOH J . ? HOH A 1289 . ? 1_555 ? 41 AC6 7 HOH J . ? HOH A 1554 . ? 1_565 ? 42 AC7 8 LEU A 69 ? LEU A 69 . ? 1_555 ? 43 AC7 8 PHE A 70 ? PHE A 70 . ? 1_555 ? 44 AC7 8 THR A 72 ? THR A 72 . ? 2_657 ? 45 AC7 8 LYS A 132 ? LYS A 132 . ? 1_555 ? 46 AC7 8 THR A 133 ? THR A 133 . ? 1_555 ? 47 AC7 8 HOH J . ? HOH A 1117 . ? 1_555 ? 48 AC7 8 HOH J . ? HOH A 1196 . ? 2_657 ? 49 AC7 8 HOH J . ? HOH A 1422 . ? 2_657 ? 50 AC8 27 GLU A 35 ? GLU A 35 . ? 1_555 ? 51 AC8 27 HIS A 38 ? HIS A 38 . ? 1_555 ? 52 AC8 27 GLU A 39 ? GLU A 39 . ? 1_555 ? 53 AC8 27 ARG A 42 ? ARG A 42 . ? 1_555 ? 54 AC8 27 PHE A 45 ? PHE A 45 . ? 1_555 ? 55 AC8 27 GLU A 143 ? GLU A 143 . ? 1_555 ? 56 AC8 27 PRO A 144 ? PRO A 144 . ? 1_555 ? 57 AC8 27 ILE A 151 ? ILE A 151 . ? 1_555 ? 58 AC8 27 LEU A 169 ? LEU A 169 . ? 1_555 ? 59 AC8 27 LEU A 170 ? LEU A 170 . ? 1_555 ? 60 AC8 27 SER A 172 ? SER A 172 . ? 1_555 ? 61 AC8 27 HIS A 173 ? HIS A 173 . ? 1_555 ? 62 AC8 27 ALA A 176 ? ALA A 176 . ? 1_555 ? 63 AC8 27 ARG A 177 ? ARG A 177 . ? 1_555 ? 64 AC8 27 ALA A 178 ? ALA A 178 . ? 1_555 ? 65 AC8 27 ASP A 179 ? ASP A 179 . ? 1_555 ? 66 AC8 27 LYS A 180 ? LYS A 180 . ? 1_555 ? 67 AC8 27 VAL A 181 ? VAL A 181 . ? 1_555 ? 68 AC8 27 PHE A 190 ? PHE A 190 . ? 1_555 ? 69 AC8 27 SER A 241 ? SER A 241 . ? 1_555 ? 70 AC8 27 HOH J . ? HOH A 1074 . ? 1_555 ? 71 AC8 27 HOH J . ? HOH A 1108 . ? 1_555 ? 72 AC8 27 HOH J . ? HOH A 1137 . ? 1_555 ? 73 AC8 27 HOH J . ? HOH A 1191 . ? 1_555 ? 74 AC8 27 HOH J . ? HOH A 1225 . ? 1_555 ? 75 AC8 27 HOH J . ? HOH A 1585 . ? 1_555 ? 76 AC8 27 HOH J . ? HOH A 1588 . ? 1_555 ? # _database_PDB_matrix.entry_id 3M8M _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.000000 _database_PDB_matrix.origx_vector[2] 0.000000 _database_PDB_matrix.origx_vector[3] 0.000000 # _atom_sites.entry_id 3M8M _atom_sites.fract_transf_matrix[1][1] 0.006228 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000799 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.022075 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.019084 _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 CA FE N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ALA A 1 1 ? 37.562 37.948 64.312 1.00 15.95 ? 1 ALA A N 1 ATOM 2 C CA . ALA A 1 1 ? 38.294 39.218 64.468 1.00 15.14 ? 1 ALA A CA 1 ATOM 3 C C . ALA A 1 1 ? 37.883 40.127 63.310 1.00 14.02 ? 1 ALA A C 1 ATOM 4 O O . ALA A 1 1 ? 37.625 39.663 62.216 1.00 16.34 ? 1 ALA A O 1 ATOM 5 C CB . ALA A 1 1 ? 39.803 38.876 64.419 1.00 18.26 ? 1 ALA A CB 1 ATOM 6 N N . VAL A 1 2 ? 37.937 41.421 63.597 1.00 13.87 ? 2 VAL A N 1 ATOM 7 C CA . VAL A 1 2 ? 37.703 42.403 62.540 1.00 14.50 ? 2 VAL A CA 1 ATOM 8 C C . VAL A 1 2 ? 39.062 43.073 62.269 1.00 16.85 ? 2 VAL A C 1 ATOM 9 O O . VAL A 1 2 ? 39.663 43.591 63.206 1.00 22.07 ? 2 VAL A O 1 ATOM 10 C CB . VAL A 1 2 ? 36.619 43.414 62.918 1.00 15.11 ? 2 VAL A CB 1 ATOM 11 C CG1 . VAL A 1 2 ? 36.575 44.523 61.889 1.00 21.58 ? 2 VAL A CG1 1 ATOM 12 C CG2 . VAL A 1 2 ? 35.307 42.718 63.217 1.00 20.80 ? 2 VAL A CG2 1 ATOM 13 N N . CYS A 1 3 ? 39.526 43.020 61.042 1.00 15.61 ? 3 CYS A N 1 ATOM 14 C CA . CYS A 1 3 ? 40.815 43.551 60.627 1.00 16.82 ? 3 CYS A CA 1 ATOM 15 C C . CYS A 1 3 ? 40.743 45.062 60.374 1.00 19.84 ? 3 CYS A C 1 ATOM 16 O O . CYS A 1 3 ? 39.641 45.609 60.431 1.00 23.22 ? 3 CYS A O 1 ATOM 17 C CB . CYS A 1 3 ? 41.232 42.809 59.382 1.00 17.42 ? 3 CYS A CB 1 ATOM 18 S SG . CYS A 1 3 ? 41.324 41.035 59.565 1.00 14.64 ? 3 CYS A SG 1 ATOM 19 N N . PRO A 1 4 ? 41.877 45.749 60.315 1.00 23.99 ? 4 PRO A N 1 ATOM 20 C CA . PRO A 1 4 ? 41.884 47.217 60.273 1.00 28.26 ? 4 PRO A CA 1 ATOM 21 C C . PRO A 1 4 ? 41.080 47.728 59.082 1.00 32.21 ? 4 PRO A C 1 ATOM 22 O O . PRO A 1 4 ? 40.517 48.814 59.138 1.00 39.37 ? 4 PRO A O 1 ATOM 23 C CB . PRO A 1 4 ? 43.375 47.545 60.022 1.00 35.53 ? 4 PRO A CB 1 ATOM 24 C CG . PRO A 1 4 ? 44.077 46.436 60.735 1.00 29.43 ? 4 PRO A CG 1 ATOM 25 C CD . PRO A 1 4 ? 43.239 45.215 60.470 1.00 22.52 ? 4 PRO A CD 1 ATOM 26 N N . ASP A 1 5 ? 41.053 46.898 58.019 1.00 31.53 ? 5 ASP A N 1 ATOM 27 C CA . ASP A 1 5 ? 40.281 47.249 56.838 1.00 33.93 ? 5 ASP A CA 1 ATOM 28 C C . ASP A 1 5 ? 38.792 46.994 56.999 1.00 29.74 ? 5 ASP A C 1 ATOM 29 O O . ASP A 1 5 ? 38.006 47.214 56.067 1.00 34.34 ? 5 ASP A O 1 ATOM 30 C CB . ASP A 1 5 ? 40.781 46.509 55.603 1.00 36.01 ? 5 ASP A CB 1 ATOM 31 C CG . ASP A 1 5 ? 40.243 45.090 55.483 1.00 35.01 ? 5 ASP A CG 1 ATOM 32 O OD1 . ASP A 1 5 ? 39.932 44.458 56.514 1.00 37.00 ? 5 ASP A OD1 1 ATOM 33 O OD2 . ASP A 1 5 ? 40.284 44.566 54.338 1.00 41.18 ? 5 ASP A OD2 1 ATOM 34 N N . GLY A 1 6 ? 38.353 46.485 58.140 1.00 26.73 ? 6 GLY A N 1 ATOM 35 C CA . GLY A 1 6 ? 36.971 46.156 58.334 1.00 20.55 ? 6 GLY A CA 1 ATOM 36 C C . GLY A 1 6 ? 36.613 44.744 57.969 1.00 21.06 ? 6 GLY A C 1 ATOM 37 O O . GLY A 1 6 ? 35.458 44.344 58.220 1.00 21.55 ? 6 GLY A O 1 ATOM 38 N N . THR A 1 7 ? 37.505 43.962 57.358 1.00 19.22 ? 7 THR A N 1 ATOM 39 C CA . THR A 1 7 ? 37.152 42.600 57.017 1.00 17.33 ? 7 THR A CA 1 ATOM 40 C C . THR A 1 7 ? 37.066 41.738 58.281 1.00 16.20 ? 7 THR A C 1 ATOM 41 O O . THR A 1 7 ? 37.951 41.743 59.111 1.00 19.87 ? 7 THR A O 1 ATOM 42 C CB . THR A 1 7 ? 38.257 42.001 56.123 1.00 21.61 ? 7 THR A CB 1 ATOM 43 O OG1 . THR A 1 7 ? 38.426 42.742 54.926 1.00 24.73 ? 7 THR A OG1 1 ATOM 44 C CG2 . THR A 1 7 ? 37.781 40.606 55.690 1.00 20.51 ? 7 THR A CG2 1 ATOM 45 N N . ARG A 1 8 ? 35.965 40.996 58.445 1.00 15.26 ? 8 ARG A N 1 ATOM 46 C CA . ARG A 1 8 ? 35.855 40.011 59.509 1.00 15.27 ? 8 ARG A CA 1 ATOM 47 C C . ARG A 1 8 ? 36.425 38.641 59.080 1.00 14.33 ? 8 ARG A C 1 ATOM 48 O O . ARG A 1 8 ? 36.049 38.101 58.016 1.00 19.02 ? 8 ARG A O 1 ATOM 49 C CB . ARG A 1 8 ? 34.377 39.904 59.835 1.00 17.90 ? 8 ARG A CB 1 ATOM 50 C CG . ARG A 1 8 ? 34.159 39.046 61.058 1.00 18.69 ? 8 ARG A CG 1 ATOM 51 C CD . ARG A 1 8 ? 32.788 39.383 61.650 1.00 20.28 ? 8 ARG A CD 1 ATOM 52 N NE . ARG A 1 8 ? 32.502 38.216 62.487 1.00 30.09 ? 8 ARG A NE 1 ATOM 53 C CZ . ARG A 1 8 ? 31.733 37.182 62.080 1.00 23.96 ? 8 ARG A CZ 1 ATOM 54 N NH1 . ARG A 1 8 ? 31.114 37.094 60.904 1.00 35.91 ? 8 ARG A NH1 1 ATOM 55 N NH2 . ARG A 1 8 ? 31.648 36.223 62.959 1.00 26.33 ? 8 ARG A NH2 1 ATOM 56 N N . VAL A 1 9 ? 37.319 38.133 59.913 1.00 13.64 ? 9 VAL A N 1 ATOM 57 C CA . VAL A 1 9 ? 38.036 36.891 59.650 1.00 13.22 ? 9 VAL A CA 1 ATOM 58 C C . VAL A 1 9 ? 38.005 35.960 60.839 1.00 13.19 ? 9 VAL A C 1 ATOM 59 O O . VAL A 1 9 ? 37.630 36.373 61.952 1.00 14.42 ? 9 VAL A O 1 ATOM 60 C CB . VAL A 1 9 ? 39.507 37.161 59.232 1.00 14.04 ? 9 VAL A CB 1 ATOM 61 C CG1 . VAL A 1 9 ? 39.578 38.037 57.993 1.00 18.44 ? 9 VAL A CG1 1 ATOM 62 C CG2 . VAL A 1 9 ? 40.245 37.772 60.394 1.00 14.32 ? 9 VAL A CG2 1 ATOM 63 N N . SER A 1 10 ? 38.382 34.713 60.567 1.00 14.79 ? 10 SER A N 1 ATOM 64 C CA . SER A 1 10 ? 38.380 33.644 61.538 1.00 16.37 ? 10 SER A CA 1 ATOM 65 C C . SER A 1 10 ? 39.182 34.015 62.782 1.00 17.24 ? 10 SER A C 1 ATOM 66 O O . SER A 1 10 ? 38.818 33.775 63.927 1.00 23.28 ? 10 SER A O 1 ATOM 67 C CB . SER A 1 10 ? 38.954 32.479 60.746 1.00 19.94 ? 10 SER A CB 1 ATOM 68 O OG . SER A 1 10 ? 40.326 32.644 60.279 1.00 25.86 ? 10 SER A OG 1 ATOM 69 N N . HIS A 1 11 ? 40.392 34.493 62.555 1.00 13.15 ? 11 HIS A N 1 ATOM 70 C CA . HIS A 1 11 ? 41.401 34.651 63.589 1.00 14.13 ? 11 HIS A CA 1 ATOM 71 C C . HIS A 1 11 ? 42.150 35.943 63.295 1.00 12.70 ? 11 HIS A C 1 ATOM 72 O O . HIS A 1 11 ? 42.524 36.246 62.171 1.00 11.67 ? 11 HIS A O 1 ATOM 73 C CB . HIS A 1 11 ? 42.383 33.468 63.558 1.00 14.46 ? 11 HIS A CB 1 ATOM 74 C CG . HIS A 1 11 ? 41.783 32.123 63.714 1.00 17.00 ? 11 HIS A CG 1 ATOM 75 N ND1 . HIS A 1 11 ? 41.220 31.683 64.917 1.00 32.94 ? 11 HIS A ND1 1 ATOM 76 C CD2 . HIS A 1 11 ? 41.558 31.187 62.790 1.00 18.85 ? 11 HIS A CD2 1 ATOM 77 C CE1 . HIS A 1 11 ? 40.740 30.474 64.683 1.00 37.99 ? 11 HIS A CE1 1 ATOM 78 N NE2 . HIS A 1 11 ? 40.934 30.151 63.423 1.00 33.08 ? 11 HIS A NE2 1 ATOM 79 N N . ALA A 1 12 ? 42.459 36.670 64.372 1.00 13.73 ? 12 ALA A N 1 ATOM 80 C CA . ALA A 1 12 ? 43.205 37.925 64.279 1.00 14.15 ? 12 ALA A CA 1 ATOM 81 C C . ALA A 1 12 ? 44.531 37.721 63.558 1.00 13.46 ? 12 ALA A C 1 ATOM 82 O O . ALA A 1 12 ? 44.966 38.580 62.827 1.00 13.46 ? 12 ALA A O 1 ATOM 83 C CB . ALA A 1 12 ? 43.502 38.391 65.706 1.00 22.75 ? 12 ALA A CB 1 ATOM 84 N N . ALA A 1 13 ? 45.200 36.589 63.731 1.00 14.39 ? 13 ALA A N 1 ATOM 85 C CA . ALA A 1 13 ? 46.498 36.356 63.098 1.00 14.80 ? 13 ALA A CA 1 ATOM 86 C C . ALA A 1 13 ? 46.409 36.236 61.582 1.00 11.08 ? 13 ALA A C 1 ATOM 87 O O . ALA A 1 13 ? 47.407 36.281 60.880 1.00 14.28 ? 13 ALA A O 1 ATOM 88 C CB . ALA A 1 13 ? 47.146 35.120 63.671 1.00 23.08 ? 13 ALA A CB 1 ATOM 89 N N . CYS A 1 14 ? 45.208 36.072 61.052 1.00 10.09 ? 14 CYS A N 1 ATOM 90 C CA . CYS A 1 14 ? 45.032 36.020 59.624 1.00 9.76 ? 14 CYS A CA 1 ATOM 91 C C . CYS A 1 14 ? 44.942 37.394 58.994 1.00 9.03 ? 14 CYS A C 1 ATOM 92 O O . CYS A 1 14 ? 45.057 37.494 57.776 1.00 9.72 ? 14 CYS A O 1 ATOM 93 C CB . CYS A 1 14 ? 43.789 35.229 59.276 1.00 10.47 ? 14 CYS A CB 1 ATOM 94 S SG . CYS A 1 14 ? 43.698 33.550 59.946 1.00 12.90 ? 14 CYS A SG 1 ATOM 95 N N . CYS A 1 15 ? 44.719 38.425 59.781 1.00 10.00 ? 15 CYS A N 1 ATOM 96 C CA . CYS A 1 15 ? 44.489 39.773 59.202 1.00 10.61 ? 15 CYS A CA 1 ATOM 97 C C . CYS A 1 15 ? 45.609 40.232 58.294 1.00 10.35 ? 15 CYS A C 1 ATOM 98 O O . CYS A 1 15 ? 45.316 40.851 57.267 1.00 10.09 ? 15 CYS A O 1 ATOM 99 C CB . CYS A 1 15 ? 44.264 40.789 60.328 1.00 11.67 ? 15 CYS A CB 1 ATOM 100 S SG . CYS A 1 15 ? 42.664 40.659 61.103 1.00 14.16 ? 15 CYS A SG 1 ATOM 101 N N . ALA A 1 16 ? 46.874 40.016 58.660 1.00 9.90 ? 16 ALA A N 1 ATOM 102 C CA . ALA A 1 16 ? 47.963 40.572 57.892 1.00 10.17 ? 16 ALA A CA 1 ATOM 103 C C . ALA A 1 16 ? 48.083 40.003 56.488 1.00 8.48 ? 16 ALA A C 1 ATOM 104 O O . ALA A 1 16 ? 48.667 40.600 55.582 1.00 9.30 ? 16 ALA A O 1 ATOM 105 C CB . ALA A 1 16 ? 49.262 40.387 58.620 1.00 12.57 ? 16 ALA A CB 1 ATOM 106 N N . PHE A 1 17 ? 47.441 38.829 56.273 1.00 8.19 ? 17 PHE A N 1 ATOM 107 C CA . PHE A 1 17 ? 47.459 38.236 54.925 1.00 8.17 ? 17 PHE A CA 1 ATOM 108 C C . PHE A 1 17 ? 46.585 39.002 53.961 1.00 8.11 ? 17 PHE A C 1 ATOM 109 O O . PHE A 1 17 ? 46.789 38.873 52.750 1.00 9.06 ? 17 PHE A O 1 ATOM 110 C CB . PHE A 1 17 ? 47.033 36.770 55.002 1.00 8.17 ? 17 PHE A CB 1 ATOM 111 C CG . PHE A 1 17 ? 48.050 35.899 55.696 1.00 7.94 ? 17 PHE A CG 1 ATOM 112 C CD1 . PHE A 1 17 ? 47.972 35.664 57.065 1.00 8.66 ? 17 PHE A CD1 1 ATOM 113 C CD2 . PHE A 1 17 ? 49.136 35.378 55.023 1.00 7.56 ? 17 PHE A CD2 1 ATOM 114 C CE1 . PHE A 1 17 ? 48.956 34.924 57.704 1.00 9.51 ? 17 PHE A CE1 1 ATOM 115 C CE2 . PHE A 1 17 ? 50.110 34.652 55.622 1.00 7.46 ? 17 PHE A CE2 1 ATOM 116 C CZ . PHE A 1 17 ? 50.027 34.421 56.987 1.00 8.15 ? 17 PHE A CZ 1 ATOM 117 N N . ILE A 1 18 ? 45.603 39.776 54.411 1.00 9.57 ? 18 ILE A N 1 ATOM 118 C CA . ILE A 1 18 ? 44.740 40.551 53.523 1.00 9.47 ? 18 ILE A CA 1 ATOM 119 C C . ILE A 1 18 ? 45.530 41.581 52.727 1.00 9.52 ? 18 ILE A C 1 ATOM 120 O O . ILE A 1 18 ? 45.516 41.546 51.469 1.00 9.88 ? 18 ILE A O 1 ATOM 121 C CB . ILE A 1 18 ? 43.524 41.113 54.242 1.00 10.96 ? 18 ILE A CB 1 ATOM 122 C CG1 . ILE A 1 18 ? 42.715 39.987 54.864 1.00 11.51 ? 18 ILE A CG1 1 ATOM 123 C CG2 . ILE A 1 18 ? 42.694 41.932 53.246 1.00 12.81 ? 18 ILE A CG2 1 ATOM 124 C CD1 . ILE A 1 18 ? 41.507 40.535 55.633 1.00 16.20 ? 18 ILE A CD1 1 ATOM 125 N N . PRO A 1 19 ? 46.265 42.485 53.368 1.00 9.14 ? 19 PRO A N 1 ATOM 126 C CA . PRO A 1 19 ? 47.064 43.418 52.568 1.00 9.82 ? 19 PRO A CA 1 ATOM 127 C C . PRO A 1 19 ? 48.169 42.707 51.810 1.00 8.54 ? 19 PRO A C 1 ATOM 128 O O . PRO A 1 19 ? 48.575 43.178 50.762 1.00 9.15 ? 19 PRO A O 1 ATOM 129 C CB . PRO A 1 19 ? 47.617 44.413 53.561 1.00 12.87 ? 19 PRO A CB 1 ATOM 130 C CG . PRO A 1 19 ? 47.501 43.757 54.878 1.00 12.57 ? 19 PRO A CG 1 ATOM 131 C CD . PRO A 1 19 ? 46.298 42.846 54.784 1.00 10.17 ? 19 PRO A CD 1 ATOM 132 N N . LEU A 1 20 ? 48.686 41.584 52.271 1.00 8.26 ? 20 LEU A N 1 ATOM 133 C CA . LEU A 1 20 ? 49.694 40.842 51.518 1.00 7.96 ? 20 LEU A CA 1 ATOM 134 C C . LEU A 1 20 ? 49.075 40.360 50.215 1.00 7.41 ? 20 LEU A C 1 ATOM 135 O O . LEU A 1 20 ? 49.711 40.481 49.146 1.00 7.85 ? 20 LEU A O 1 ATOM 136 C CB . LEU A 1 20 ? 50.252 39.687 52.362 1.00 7.95 ? 20 LEU A CB 1 ATOM 137 C CG . LEU A 1 20 ? 51.168 38.740 51.577 1.00 7.63 ? 20 LEU A CG 1 ATOM 138 C CD1 . LEU A 1 20 ? 52.379 39.474 50.988 1.00 8.68 ? 20 LEU A CD1 1 ATOM 139 C CD2 . LEU A 1 20 ? 51.609 37.602 52.486 1.00 8.39 ? 20 LEU A CD2 1 ATOM 140 N N . ALA A 1 21 ? 47.899 39.749 50.247 1.00 7.89 ? 21 ALA A N 1 ATOM 141 C CA . ALA A 1 21 ? 47.277 39.299 48.999 1.00 7.72 ? 21 ALA A CA 1 ATOM 142 C C . ALA A 1 21 ? 47.103 40.482 48.045 1.00 7.96 ? 21 ALA A C 1 ATOM 143 O O . ALA A 1 21 ? 47.342 40.339 46.844 1.00 8.22 ? 21 ALA A O 1 ATOM 144 C CB . ALA A 1 21 ? 45.970 38.605 49.297 1.00 8.92 ? 21 ALA A CB 1 ATOM 145 N N . GLN A 1 22 ? 46.588 41.589 48.555 1.00 8.06 ? 22 GLN A N 1 ATOM 146 C CA . GLN A 1 22 ? 46.345 42.733 47.678 1.00 8.90 ? 22 GLN A CA 1 ATOM 147 C C . GLN A 1 22 ? 47.649 43.198 47.067 1.00 8.24 ? 22 GLN A C 1 ATOM 148 O O . GLN A 1 22 ? 47.702 43.566 45.889 1.00 8.70 ? 22 GLN A O 1 ATOM 149 C CB . GLN A 1 22 ? 45.749 43.881 48.514 1.00 10.63 ? 22 GLN A CB 1 ATOM 150 C CG . GLN A 1 22 ? 44.395 43.612 49.060 1.00 15.36 ? 22 GLN A CG 1 ATOM 151 C CD . GLN A 1 22 ? 43.681 44.724 49.833 1.00 25.98 ? 22 GLN A CD 1 ATOM 152 O OE1 . GLN A 1 22 ? 42.507 44.588 50.213 1.00 37.74 ? 22 GLN A OE1 1 ATOM 153 N NE2 . GLN A 1 22 ? 44.378 45.827 50.075 1.00 50.86 ? 22 GLN A NE2 1 ATOM 154 N N . ASP A 1 23 ? 48.721 43.260 47.856 1.00 8.19 ? 23 ASP A N 1 ATOM 155 C CA . ASP A 1 23 ? 50.021 43.697 47.350 1.00 7.98 ? 23 ASP A CA 1 ATOM 156 C C . ASP A 1 23 ? 50.565 42.743 46.313 1.00 7.04 ? 23 ASP A C 1 ATOM 157 O O . ASP A 1 23 ? 51.092 43.152 45.283 1.00 8.13 ? 23 ASP A O 1 ATOM 158 C CB . ASP A 1 23 ? 50.986 43.863 48.528 1.00 8.52 ? 23 ASP A CB 1 ATOM 159 C CG . ASP A 1 23 ? 52.173 44.775 48.257 1.00 9.00 ? 23 ASP A CG 1 ATOM 160 O OD1 . ASP A 1 23 ? 52.285 45.402 47.189 1.00 10.41 ? 23 ASP A OD1 1 ATOM 161 O OD2 . ASP A 1 23 ? 53.009 44.893 49.198 1.00 10.43 ? 23 ASP A OD2 1 ATOM 162 N N . LEU A 1 24 ? 50.438 41.457 46.567 1.00 7.28 ? 24 LEU A N 1 ATOM 163 C CA . LEU A 1 24 ? 50.898 40.466 45.571 1.00 7.20 ? 24 LEU A CA 1 ATOM 164 C C . LEU A 1 24 ? 50.133 40.609 44.248 1.00 6.67 ? 24 LEU A C 1 ATOM 165 O O . LEU A 1 24 ? 50.722 40.591 43.164 1.00 7.22 ? 24 LEU A O 1 ATOM 166 C CB . LEU A 1 24 ? 50.721 39.041 46.110 1.00 7.29 ? 24 LEU A CB 1 ATOM 167 C CG . LEU A 1 24 ? 51.650 38.613 47.217 1.00 7.51 ? 24 LEU A CG 1 ATOM 168 C CD1 . LEU A 1 24 ? 51.093 37.353 47.871 1.00 9.01 ? 24 LEU A CD1 1 ATOM 169 C CD2 . LEU A 1 24 ? 53.051 38.374 46.713 1.00 8.94 ? 24 LEU A CD2 1 ATOM 170 N N . GLN A 1 25 ? 48.824 40.762 44.349 1.00 7.10 ? 25 GLN A N 1 ATOM 171 C CA . GLN A 1 25 ? 48.010 40.929 43.145 1.00 7.67 ? 25 GLN A CA 1 ATOM 172 C C . GLN A 1 25 ? 48.356 42.210 42.402 1.00 8.20 ? 25 GLN A C 1 ATOM 173 O O . GLN A 1 25 ? 48.585 42.236 41.214 1.00 9.82 ? 25 GLN A O 1 ATOM 174 C CB . GLN A 1 25 ? 46.533 40.909 43.509 1.00 8.26 ? 25 GLN A CB 1 ATOM 175 C CG . GLN A 1 25 ? 46.005 39.564 43.999 1.00 8.52 ? 25 GLN A CG 1 ATOM 176 C CD . GLN A 1 25 ? 45.792 38.543 42.899 1.00 7.77 ? 25 GLN A CD 1 ATOM 177 O OE1 . GLN A 1 25 ? 46.555 38.473 41.909 1.00 8.89 ? 25 GLN A OE1 1 ATOM 178 N NE2 . GLN A 1 25 ? 44.770 37.724 43.042 1.00 8.35 ? 25 GLN A NE2 1 ATOM 179 N N . GLU A 1 26 ? 48.444 43.329 43.112 1.00 8.01 ? 26 GLU A N 1 ATOM 180 C CA . GLU A 1 26 ? 48.702 44.571 42.437 1.00 9.00 ? 26 GLU A CA 1 ATOM 181 C C . GLU A 1 26 ? 50.098 44.600 41.805 1.00 8.52 ? 26 GLU A C 1 ATOM 182 O O . GLU A 1 26 ? 50.324 45.139 40.710 1.00 8.76 ? 26 GLU A O 1 ATOM 183 C CB . GLU A 1 26 ? 48.536 45.740 43.448 1.00 13.41 ? 26 GLU A CB 1 ATOM 184 C CG . GLU A 1 26 ? 47.130 45.915 43.993 1.00 17.27 ? 26 GLU A CG 1 ATOM 185 C CD . GLU A 1 26 ? 46.983 46.763 45.214 1.00 19.93 ? 26 GLU A CD 1 ATOM 186 O OE1 . GLU A 1 26 ? 47.890 47.391 45.707 1.00 25.31 ? 26 GLU A OE1 1 ATOM 187 O OE2 . GLU A 1 26 ? 45.849 46.684 45.883 1.00 34.20 ? 26 GLU A OE2 1 ATOM 188 N N . THR A 1 27 ? 51.062 44.013 42.541 1.00 7.51 ? 27 THR A N 1 ATOM 189 C CA . THR A 1 27 ? 52.472 44.192 42.183 1.00 7.38 ? 27 THR A CA 1 ATOM 190 C C . THR A 1 27 ? 52.992 43.163 41.203 1.00 6.88 ? 27 THR A C 1 ATOM 191 O O . THR A 1 27 ? 53.692 43.516 40.259 1.00 7.89 ? 27 THR A O 1 ATOM 192 C CB . THR A 1 27 ? 53.336 44.193 43.461 1.00 8.07 ? 27 THR A CB 1 ATOM 193 O OG1 . THR A 1 27 ? 52.794 45.197 44.358 1.00 8.84 ? 27 THR A OG1 1 ATOM 194 C CG2 . THR A 1 27 ? 54.766 44.579 43.157 1.00 9.02 ? 27 THR A CG2 1 ATOM 195 N N . ILE A 1 28 ? 52.728 41.867 41.443 1.00 6.57 ? 28 ILE A N 1 ATOM 196 C CA . ILE A 1 28 ? 53.324 40.825 40.638 1.00 6.80 ? 28 ILE A CA 1 ATOM 197 C C . ILE A 1 28 ? 52.357 39.971 39.845 1.00 6.45 ? 28 ILE A C 1 ATOM 198 O O . ILE A 1 28 ? 52.764 39.455 38.813 1.00 7.20 ? 28 ILE A O 1 ATOM 199 C CB . ILE A 1 28 ? 54.376 39.970 41.347 1.00 7.00 ? 28 ILE A CB 1 ATOM 200 C CG1 . ILE A 1 28 ? 53.818 39.183 42.529 1.00 6.94 ? 28 ILE A CG1 1 ATOM 201 C CG2 . ILE A 1 28 ? 55.560 40.820 41.775 1.00 8.33 ? 28 ILE A CG2 1 ATOM 202 C CD1 . ILE A 1 28 ? 54.784 38.176 43.089 1.00 8.10 ? 28 ILE A CD1 1 ATOM 203 N N . PHE A 1 29 ? 51.093 39.779 40.258 1.00 6.37 ? 29 PHE A N 1 ATOM 204 C CA . PHE A 1 29 ? 50.226 38.873 39.475 1.00 6.75 ? 29 PHE A CA 1 ATOM 205 C C . PHE A 1 29 ? 49.213 39.583 38.586 1.00 7.46 ? 29 PHE A C 1 ATOM 206 O O . PHE A 1 29 ? 48.772 39.001 37.593 1.00 7.86 ? 29 PHE A O 1 ATOM 207 C CB . PHE A 1 29 ? 49.443 37.915 40.383 1.00 6.91 ? 29 PHE A CB 1 ATOM 208 C CG . PHE A 1 29 ? 50.312 37.106 41.338 1.00 6.95 ? 29 PHE A CG 1 ATOM 209 C CD1 . PHE A 1 29 ? 49.912 36.879 42.616 1.00 7.46 ? 29 PHE A CD1 1 ATOM 210 C CD2 . PHE A 1 29 ? 51.532 36.538 40.941 1.00 7.26 ? 29 PHE A CD2 1 ATOM 211 C CE1 . PHE A 1 29 ? 50.636 36.110 43.493 1.00 7.79 ? 29 PHE A CE1 1 ATOM 212 C CE2 . PHE A 1 29 ? 52.293 35.809 41.815 1.00 7.45 ? 29 PHE A CE2 1 ATOM 213 C CZ . PHE A 1 29 ? 51.844 35.583 43.118 1.00 7.89 ? 29 PHE A CZ 1 ATOM 214 N N . GLN A 1 30 ? 48.751 40.770 38.994 1.00 8.39 ? 30 GLN A N 1 ATOM 215 C CA . GLN A 1 30 ? 47.695 41.510 38.312 1.00 8.47 ? 30 GLN A CA 1 ATOM 216 C C . GLN A 1 30 ? 46.449 40.654 38.082 1.00 7.43 ? 30 GLN A C 1 ATOM 217 O O . GLN A 1 30 ? 45.754 40.793 37.072 1.00 8.26 ? 30 GLN A O 1 ATOM 218 C CB . GLN A 1 30 ? 48.208 42.145 37.025 1.00 8.77 ? 30 GLN A CB 1 ATOM 219 C CG . GLN A 1 30 ? 49.210 43.262 37.324 1.00 9.87 ? 30 GLN A CG 1 ATOM 220 C CD . GLN A 1 30 ? 50.630 42.772 37.466 1.00 8.74 ? 30 GLN A CD 1 ATOM 221 O OE1 . GLN A 1 30 ? 51.131 41.915 36.715 1.00 9.42 ? 30 GLN A OE1 1 ATOM 222 N NE2 . GLN A 1 30 ? 51.338 43.331 38.425 1.00 8.72 ? 30 GLN A NE2 1 ATOM 223 N N . ASN A 1 31 ? 46.106 39.811 39.071 1.00 7.80 ? 31 ASN A N 1 ATOM 224 C CA . ASN A 1 31 ? 44.918 38.958 38.994 1.00 8.04 ? 31 ASN A CA 1 ATOM 225 C C . ASN A 1 31 ? 44.960 37.992 37.829 1.00 7.83 ? 31 ASN A C 1 ATOM 226 O O . ASN A 1 31 ? 43.927 37.441 37.438 1.00 11.35 ? 31 ASN A O 1 ATOM 227 C CB . ASN A 1 31 ? 43.649 39.792 38.927 1.00 10.53 ? 31 ASN A CB 1 ATOM 228 C CG . ASN A 1 31 ? 43.599 40.851 39.968 1.00 15.48 ? 31 ASN A CG 1 ATOM 229 O OD1 . ASN A 1 31 ? 43.263 42.059 39.793 1.00 27.61 ? 31 ASN A OD1 1 ATOM 230 N ND2 . ASN A 1 31 ? 43.867 40.524 41.174 1.00 21.84 ? 31 ASN A ND2 1 ATOM 231 N N . GLU A 1 32 ? 46.146 37.743 37.248 1.00 7.89 ? 32 GLU A N 1 ATOM 232 C CA . GLU A 1 32 ? 46.328 36.861 36.136 1.00 7.56 ? 32 GLU A CA 1 ATOM 233 C C . GLU A 1 32 ? 47.036 35.571 36.579 1.00 6.60 ? 32 GLU A C 1 ATOM 234 O O . GLU A 1 32 ? 47.880 35.563 37.466 1.00 7.21 ? 32 GLU A O 1 ATOM 235 C CB . GLU A 1 32 ? 47.177 37.485 35.019 1.00 10.47 ? 32 GLU A CB 1 ATOM 236 C CG . GLU A 1 32 ? 46.616 38.702 34.395 1.00 10.98 ? 32 GLU A CG 1 ATOM 237 C CD . GLU A 1 32 ? 45.350 38.602 33.589 1.00 19.36 ? 32 GLU A CD 1 ATOM 238 O OE1 . GLU A 1 32 ? 44.774 39.684 33.186 1.00 21.20 ? 32 GLU A OE1 1 ATOM 239 O OE2 . GLU A 1 32 ? 44.847 37.495 33.229 1.00 18.29 ? 32 GLU A OE2 1 ATOM 240 N N . CYS A 1 33 ? 46.745 34.524 35.832 1.00 7.27 ? 33 CYS A N 1 ATOM 241 C CA . CYS A 1 33 ? 47.466 33.254 35.901 1.00 7.35 ? 33 CYS A CA 1 ATOM 242 C C . CYS A 1 33 ? 48.603 33.236 34.899 1.00 7.33 ? 33 CYS A C 1 ATOM 243 O O . CYS A 1 33 ? 48.674 32.354 34.019 1.00 9.27 ? 33 CYS A O 1 ATOM 244 C CB . CYS A 1 33 ? 46.483 32.106 35.599 1.00 8.57 ? 33 CYS A CB 1 ATOM 245 S SG . CYS A 1 33 ? 47.122 30.447 35.829 1.00 8.12 ? 33 CYS A SG 1 ATOM 246 N N . GLY A 1 34 ? 49.427 34.278 34.949 1.00 7.53 ? 34 GLY A N 1 ATOM 247 C CA . GLY A 1 34 ? 50.456 34.525 33.967 1.00 8.31 ? 34 GLY A CA 1 ATOM 248 C C . GLY A 1 34 ? 51.842 34.155 34.472 1.00 6.80 ? 34 GLY A C 1 ATOM 249 O O . GLY A 1 34 ? 52.006 33.382 35.421 1.00 7.46 ? 34 GLY A O 1 ATOM 250 N N . GLU A 1 35 ? 52.866 34.695 33.805 1.00 7.22 ? 35 GLU A N 1 ATOM 251 C CA . GLU A 1 35 ? 54.245 34.328 34.057 1.00 6.89 ? 35 GLU A CA 1 ATOM 252 C C . GLU A 1 35 ? 54.596 34.383 35.537 1.00 5.88 ? 35 GLU A C 1 ATOM 253 O O . GLU A 1 35 ? 55.137 33.432 36.105 1.00 6.83 ? 35 GLU A O 1 ATOM 254 C CB . GLU A 1 35 ? 55.161 35.281 33.270 0.52 5.16 ? 35 GLU A CB 1 ATOM 255 C CG A GLU A 1 35 ? 56.615 35.045 33.501 0.52 7.88 ? 35 GLU A CG 1 ATOM 256 C CG B GLU A 1 35 ? 56.627 34.871 33.475 0.52 16.28 ? 35 GLU A CG 1 ATOM 257 C CD A GLU A 1 35 ? 57.159 33.805 32.798 0.52 16.57 ? 35 GLU A CD 1 ATOM 258 C CD B GLU A 1 35 ? 56.993 33.463 33.047 0.52 15.63 ? 35 GLU A CD 1 ATOM 259 O OE1 A GLU A 1 35 ? 58.416 33.803 32.791 0.52 24.55 ? 35 GLU A OE1 1 ATOM 260 O OE1 B GLU A 1 35 ? 57.879 32.874 33.719 0.52 15.48 ? 35 GLU A OE1 1 ATOM 261 O OE2 A GLU A 1 35 ? 56.444 32.971 32.180 0.52 8.74 ? 35 GLU A OE2 1 ATOM 262 O OE2 B GLU A 1 35 ? 56.524 32.924 32.000 0.52 23.02 ? 35 GLU A OE2 1 ATOM 263 N N . ASP A 1 36 ? 54.336 35.511 36.206 1.00 6.57 ? 36 ASP A N 1 ATOM 264 C CA . ASP A 1 36 ? 54.789 35.634 37.605 1.00 6.52 ? 36 ASP A CA 1 ATOM 265 C C . ASP A 1 36 ? 54.022 34.704 38.526 1.00 6.09 ? 36 ASP A C 1 ATOM 266 O O . ASP A 1 36 ? 54.592 34.171 39.478 1.00 6.74 ? 36 ASP A O 1 ATOM 267 C CB . ASP A 1 36 ? 54.719 37.051 38.106 1.00 6.70 ? 36 ASP A CB 1 ATOM 268 C CG . ASP A 1 36 ? 55.782 37.968 37.570 1.00 7.26 ? 36 ASP A CG 1 ATOM 269 O OD1 . ASP A 1 36 ? 55.815 39.123 38.117 1.00 8.39 ? 36 ASP A OD1 1 ATOM 270 O OD2 . ASP A 1 36 ? 56.605 37.593 36.716 1.00 9.13 ? 36 ASP A OD2 1 ATOM 271 N N . ALA A 1 37 ? 52.716 34.506 38.270 1.00 6.25 ? 37 ALA A N 1 ATOM 272 C CA . ALA A 1 37 ? 51.936 33.544 39.030 1.00 6.32 ? 37 ALA A CA 1 ATOM 273 C C . ALA A 1 37 ? 52.512 32.141 38.869 1.00 6.14 ? 37 ALA A C 1 ATOM 274 O O . ALA A 1 37 ? 52.690 31.404 39.848 1.00 6.50 ? 37 ALA A O 1 ATOM 275 C CB . ALA A 1 37 ? 50.475 33.586 38.563 1.00 7.14 ? 37 ALA A CB 1 ATOM 276 N N . HIS A 1 38 ? 52.768 31.707 37.623 1.00 6.22 ? 38 HIS A N 1 ATOM 277 C CA . HIS A 1 38 ? 53.327 30.399 37.377 1.00 6.76 ? 38 HIS A CA 1 ATOM 278 C C . HIS A 1 38 ? 54.617 30.184 38.153 1.00 5.79 ? 38 HIS A C 1 ATOM 279 O O . HIS A 1 38 ? 54.854 29.129 38.754 1.00 6.49 ? 38 HIS A O 1 ATOM 280 C CB . HIS A 1 38 ? 53.631 30.198 35.887 1.00 6.76 ? 38 HIS A CB 1 ATOM 281 C CG . HIS A 1 38 ? 52.451 30.207 35.007 1.00 7.38 ? 38 HIS A CG 1 ATOM 282 N ND1 . HIS A 1 38 ? 52.576 30.369 33.635 1.00 9.28 ? 38 HIS A ND1 1 ATOM 283 C CD2 . HIS A 1 38 ? 51.132 30.025 35.240 1.00 8.62 ? 38 HIS A CD2 1 ATOM 284 C CE1 . HIS A 1 38 ? 51.399 30.250 33.100 1.00 10.25 ? 38 HIS A CE1 1 ATOM 285 N NE2 . HIS A 1 38 ? 50.487 30.072 34.044 1.00 9.77 ? 38 HIS A NE2 1 ATOM 286 N N . GLU A 1 39 ? 55.494 31.203 38.126 1.00 6.26 ? 39 GLU A N 1 ATOM 287 C CA . GLU A 1 39 ? 56.782 31.076 38.789 1.00 6.28 ? 39 GLU A CA 1 ATOM 288 C C . GLU A 1 39 ? 56.601 30.861 40.283 1.00 5.87 ? 39 GLU A C 1 ATOM 289 O O . GLU A 1 39 ? 57.314 30.051 40.903 1.00 6.53 ? 39 GLU A O 1 ATOM 290 C CB A GLU A 1 39 ? 57.609 32.335 38.538 0.52 8.02 ? 39 GLU A CB 1 ATOM 291 C CB B GLU A 1 39 ? 57.698 32.220 38.399 0.52 7.17 ? 39 GLU A CB 1 ATOM 292 C CG A GLU A 1 39 ? 58.173 32.463 37.138 0.52 10.75 ? 39 GLU A CG 1 ATOM 293 C CG B GLU A 1 39 ? 58.072 32.208 36.918 0.52 8.28 ? 39 GLU A CG 1 ATOM 294 C CD A GLU A 1 39 ? 58.923 33.762 36.905 0.52 14.48 ? 39 GLU A CD 1 ATOM 295 C CD B GLU A 1 39 ? 59.161 33.146 36.512 0.52 15.33 ? 39 GLU A CD 1 ATOM 296 O OE1 A GLU A 1 39 ? 58.695 34.759 37.646 0.52 13.26 ? 39 GLU A OE1 1 ATOM 297 O OE1 B GLU A 1 39 ? 59.090 33.769 35.429 0.52 25.64 ? 39 GLU A OE1 1 ATOM 298 O OE2 A GLU A 1 39 ? 59.774 33.719 35.974 0.52 18.85 ? 39 GLU A OE2 1 ATOM 299 O OE2 B GLU A 1 39 ? 60.073 33.463 37.299 0.52 11.81 ? 39 GLU A OE2 1 ATOM 300 N N . VAL A 1 40 ? 55.691 31.595 40.901 1.00 6.46 ? 40 VAL A N 1 ATOM 301 C CA . VAL A 1 40 ? 55.396 31.427 42.348 1.00 6.07 ? 40 VAL A CA 1 ATOM 302 C C . VAL A 1 40 ? 54.806 30.077 42.646 1.00 5.89 ? 40 VAL A C 1 ATOM 303 O O . VAL A 1 40 ? 55.146 29.472 43.675 1.00 6.58 ? 40 VAL A O 1 ATOM 304 C CB . VAL A 1 40 ? 54.587 32.613 42.868 1.00 6.38 ? 40 VAL A CB 1 ATOM 305 C CG1 . VAL A 1 40 ? 54.037 32.332 44.225 1.00 8.40 ? 40 VAL A CG1 1 ATOM 306 C CG2 . VAL A 1 40 ? 55.427 33.891 42.911 1.00 7.38 ? 40 VAL A CG2 1 ATOM 307 N N . ILE A 1 41 ? 53.938 29.576 41.794 1.00 6.15 ? 41 ILE A N 1 ATOM 308 C CA . ILE A 1 41 ? 53.351 28.235 42.033 1.00 6.76 ? 41 ILE A CA 1 ATOM 309 C C . ILE A 1 41 ? 54.463 27.203 42.048 1.00 6.18 ? 41 ILE A C 1 ATOM 310 O O . ILE A 1 41 ? 54.522 26.318 42.914 1.00 6.87 ? 41 ILE A O 1 ATOM 311 C CB . ILE A 1 41 ? 52.252 27.936 41.011 1.00 7.05 ? 41 ILE A CB 1 ATOM 312 C CG1 . ILE A 1 41 ? 51.084 28.926 41.189 1.00 7.27 ? 41 ILE A CG1 1 ATOM 313 C CG2 . ILE A 1 41 ? 51.753 26.530 41.171 1.00 7.60 ? 41 ILE A CG2 1 ATOM 314 C CD1 . ILE A 1 41 ? 50.153 28.967 39.968 1.00 7.57 ? 41 ILE A CD1 1 ATOM 315 N N . ARG A 1 42 ? 55.386 27.279 41.078 1.00 6.42 ? 42 ARG A N 1 ATOM 316 C CA . ARG A 1 42 ? 56.520 26.343 41.066 1.00 6.49 ? 42 ARG A CA 1 ATOM 317 C C . ARG A 1 42 ? 57.338 26.451 42.336 1.00 6.50 ? 42 ARG A C 1 ATOM 318 O O . ARG A 1 42 ? 57.782 25.464 42.887 1.00 6.95 ? 42 ARG A O 1 ATOM 319 C CB A ARG A 1 42 ? 57.417 26.580 39.841 0.52 9.68 ? 42 ARG A CB 1 ATOM 320 C CB B ARG A 1 42 ? 57.324 26.556 39.796 0.52 5.91 ? 42 ARG A CB 1 ATOM 321 C CG A ARG A 1 42 ? 58.407 25.445 39.594 0.52 6.65 ? 42 ARG A CG 1 ATOM 322 C CG B ARG A 1 42 ? 58.595 25.737 39.715 0.52 10.29 ? 42 ARG A CG 1 ATOM 323 C CD A ARG A 1 42 ? 59.225 25.678 38.352 0.52 6.77 ? 42 ARG A CD 1 ATOM 324 C CD B ARG A 1 42 ? 59.329 26.009 38.425 0.52 14.40 ? 42 ARG A CD 1 ATOM 325 N NE A ARG A 1 42 ? 60.157 24.610 38.084 0.52 8.08 ? 42 ARG A NE 1 ATOM 326 N NE B ARG A 1 42 ? 60.528 25.176 38.363 0.52 13.51 ? 42 ARG A NE 1 ATOM 327 C CZ A ARG A 1 42 ? 61.428 24.543 37.776 0.52 11.80 ? 42 ARG A CZ 1 ATOM 328 C CZ B ARG A 1 42 ? 61.719 25.514 37.945 0.52 11.00 ? 42 ARG A CZ 1 ATOM 329 N NH1 A ARG A 1 42 ? 62.100 25.661 37.641 0.52 13.58 ? 42 ARG A NH1 1 ATOM 330 N NH1 B ARG A 1 42 ? 62.002 26.731 37.464 0.52 16.71 ? 42 ARG A NH1 1 ATOM 331 N NH2 A ARG A 1 42 ? 62.031 23.380 37.550 0.52 14.74 ? 42 ARG A NH2 1 ATOM 332 N NH2 B ARG A 1 42 ? 62.698 24.633 37.964 0.52 14.74 ? 42 ARG A NH2 1 ATOM 333 N N . LEU A 1 43 ? 57.598 27.690 42.790 1.00 6.69 ? 43 LEU A N 1 ATOM 334 C CA . LEU A 1 43 ? 58.354 27.901 44.022 1.00 6.86 ? 43 LEU A CA 1 ATOM 335 C C . LEU A 1 43 ? 57.698 27.281 45.234 1.00 6.57 ? 43 LEU A C 1 ATOM 336 O O . LEU A 1 43 ? 58.379 26.745 46.092 1.00 6.72 ? 43 LEU A O 1 ATOM 337 C CB . LEU A 1 43 ? 58.537 29.418 44.276 1.00 7.14 ? 43 LEU A CB 1 ATOM 338 C CG . LEU A 1 43 ? 59.229 29.772 45.563 1.00 7.30 ? 43 LEU A CG 1 ATOM 339 C CD1 . LEU A 1 43 ? 60.643 29.237 45.658 1.00 8.36 ? 43 LEU A CD1 1 ATOM 340 C CD2 . LEU A 1 43 ? 59.271 31.316 45.670 1.00 9.66 ? 43 LEU A CD2 1 ATOM 341 N N . THR A 1 44 ? 56.368 27.281 45.295 1.00 7.36 ? 44 THR A N 1 ATOM 342 C CA . THR A 1 44 ? 55.691 26.656 46.420 1.00 7.93 ? 44 THR A CA 1 ATOM 343 C C . THR A 1 44 ? 56.084 25.212 46.563 1.00 7.23 ? 44 THR A C 1 ATOM 344 O O . THR A 1 44 ? 56.329 24.685 47.658 1.00 7.87 ? 44 THR A O 1 ATOM 345 C CB . THR A 1 44 ? 54.193 26.842 46.213 1.00 10.23 ? 44 THR A CB 1 ATOM 346 O OG1 A THR A 1 44 ? 53.522 25.813 45.517 0.52 9.51 ? 44 THR A OG1 1 ATOM 347 O OG1 B THR A 1 44 ? 53.770 28.257 46.025 0.52 10.14 ? 44 THR A OG1 1 ATOM 348 C CG2 A THR A 1 44 ? 54.110 28.349 46.417 0.52 14.33 ? 44 THR A CG2 1 ATOM 349 C CG2 B THR A 1 44 ? 53.359 26.277 47.207 0.52 9.63 ? 44 THR A CG2 1 ATOM 350 N N . PHE A 1 45 ? 56.149 24.494 45.413 1.00 6.94 ? 45 PHE A N 1 ATOM 351 C CA . PHE A 1 45 ? 56.569 23.115 45.368 1.00 6.78 ? 45 PHE A CA 1 ATOM 352 C C . PHE A 1 45 ? 58.050 22.941 45.703 1.00 6.04 ? 45 PHE A C 1 ATOM 353 O O . PHE A 1 45 ? 58.406 22.101 46.505 1.00 7.08 ? 45 PHE A O 1 ATOM 354 C CB . PHE A 1 45 ? 56.226 22.541 43.970 1.00 7.10 ? 45 PHE A CB 1 ATOM 355 C CG . PHE A 1 45 ? 56.843 21.180 43.681 1.00 7.95 ? 45 PHE A CG 1 ATOM 356 C CD1 . PHE A 1 45 ? 57.573 20.997 42.551 1.00 10.61 ? 45 PHE A CD1 1 ATOM 357 C CD2 . PHE A 1 45 ? 56.705 20.095 44.513 1.00 10.74 ? 45 PHE A CD2 1 ATOM 358 C CE1 . PHE A 1 45 ? 58.184 19.763 42.261 1.00 13.27 ? 45 PHE A CE1 1 ATOM 359 C CE2 . PHE A 1 45 ? 57.286 18.864 44.217 1.00 13.37 ? 45 PHE A CE2 1 ATOM 360 C CZ . PHE A 1 45 ? 58.081 18.695 43.106 1.00 14.50 ? 45 PHE A CZ 1 ATOM 361 N N . HIS A 1 46 ? 58.931 23.734 45.066 1.00 6.08 ? 46 HIS A N 1 ATOM 362 C CA . HIS A 1 46 ? 60.370 23.542 45.329 1.00 5.78 ? 46 HIS A CA 1 ATOM 363 C C . HIS A 1 46 ? 60.708 23.902 46.781 1.00 5.55 ? 46 HIS A C 1 ATOM 364 O O . HIS A 1 46 ? 61.611 23.272 47.362 1.00 6.70 ? 46 HIS A O 1 ATOM 365 C CB . HIS A 1 46 ? 61.211 24.350 44.369 1.00 6.50 ? 46 HIS A CB 1 ATOM 366 C CG . HIS A 1 46 ? 61.209 23.803 42.976 1.00 6.85 ? 46 HIS A CG 1 ATOM 367 N ND1 . HIS A 1 46 ? 62.382 23.635 42.258 1.00 6.66 ? 46 HIS A ND1 1 ATOM 368 C CD2 . HIS A 1 46 ? 60.204 23.429 42.146 1.00 8.17 ? 46 HIS A CD2 1 ATOM 369 C CE1 . HIS A 1 46 ? 62.065 23.132 41.091 1.00 7.44 ? 46 HIS A CE1 1 ATOM 370 N NE2 . HIS A 1 46 ? 60.747 23.000 40.960 1.00 8.82 ? 46 HIS A NE2 1 ATOM 371 N N . ASP A 1 47 ? 60.019 24.895 47.364 1.00 5.67 ? 47 ASP A N 1 ATOM 372 C CA . ASP A 1 47 ? 60.257 25.155 48.789 1.00 5.88 ? 47 ASP A CA 1 ATOM 373 C C . ASP A 1 47 ? 59.830 23.927 49.593 1.00 5.75 ? 47 ASP A C 1 ATOM 374 O O . ASP A 1 47 ? 60.595 23.441 50.442 1.00 6.06 ? 47 ASP A O 1 ATOM 375 C CB . ASP A 1 47 ? 59.548 26.407 49.273 1.00 5.52 ? 47 ASP A CB 1 ATOM 376 C CG . ASP A 1 47 ? 59.986 26.832 50.651 1.00 6.25 ? 47 ASP A CG 1 ATOM 377 O OD1 . ASP A 1 47 ? 59.247 27.622 51.272 1.00 7.31 ? 47 ASP A OD1 1 ATOM 378 O OD2 . ASP A 1 47 ? 61.088 26.438 51.100 1.00 7.20 ? 47 ASP A OD2 1 ATOM 379 N N . ALA A 1 48 ? 58.627 23.439 49.388 1.00 5.68 ? 48 ALA A N 1 ATOM 380 C CA . ALA A 1 48 ? 58.035 22.446 50.255 1.00 5.96 ? 48 ALA A CA 1 ATOM 381 C C . ALA A 1 48 ? 58.729 21.069 50.175 1.00 5.77 ? 48 ALA A C 1 ATOM 382 O O . ALA A 1 48 ? 58.838 20.367 51.165 1.00 6.46 ? 48 ALA A O 1 ATOM 383 C CB . ALA A 1 48 ? 56.553 22.303 49.971 1.00 6.27 ? 48 ALA A CB 1 ATOM 384 N N . ILE A 1 49 ? 59.099 20.622 48.964 1.00 6.25 ? 49 ILE A N 1 ATOM 385 C CA . ILE A 1 49 ? 59.457 19.223 48.739 1.00 6.34 ? 49 ILE A CA 1 ATOM 386 C C . ILE A 1 49 ? 60.859 18.889 49.216 1.00 5.77 ? 49 ILE A C 1 ATOM 387 O O . ILE A 1 49 ? 61.257 17.728 49.285 1.00 6.75 ? 49 ILE A O 1 ATOM 388 C CB . ILE A 1 49 ? 59.247 18.827 47.262 1.00 6.57 ? 49 ILE A CB 1 ATOM 389 C CG1 . ILE A 1 49 ? 59.001 17.338 47.086 1.00 7.82 ? 49 ILE A CG1 1 ATOM 390 C CG2 . ILE A 1 49 ? 60.392 19.318 46.371 1.00 7.27 ? 49 ILE A CG2 1 ATOM 391 C CD1 . ILE A 1 49 ? 57.704 16.835 47.669 1.00 7.74 ? 49 ILE A CD1 1 ATOM 392 N N . ALA A 1 50 ? 61.653 19.939 49.546 1.00 5.74 ? 50 ALA A N 1 ATOM 393 C CA . ALA A 1 50 ? 63.054 19.728 49.965 1.00 6.39 ? 50 ALA A CA 1 ATOM 394 C C . ALA A 1 50 ? 63.064 19.374 51.472 1.00 6.31 ? 50 ALA A C 1 ATOM 395 O O . ALA A 1 50 ? 63.381 20.183 52.353 1.00 6.87 ? 50 ALA A O 1 ATOM 396 C CB . ALA A 1 50 ? 63.868 20.934 49.617 1.00 6.88 ? 50 ALA A CB 1 ATOM 397 N N . ILE A 1 51 ? 62.717 18.118 51.705 1.00 6.48 ? 51 ILE A N 1 ATOM 398 C CA . ILE A 1 51 ? 62.613 17.472 53.012 1.00 6.64 ? 51 ILE A CA 1 ATOM 399 C C . ILE A 1 51 ? 62.757 15.988 52.723 1.00 6.50 ? 51 ILE A C 1 ATOM 400 O O . ILE A 1 51 ? 62.313 15.532 51.683 1.00 7.19 ? 51 ILE A O 1 ATOM 401 C CB . ILE A 1 51 ? 61.311 17.852 53.708 1.00 6.79 ? 51 ILE A CB 1 ATOM 402 C CG1 . ILE A 1 51 ? 61.195 17.230 55.118 1.00 7.63 ? 51 ILE A CG1 1 ATOM 403 C CG2 . ILE A 1 51 ? 60.090 17.501 52.867 1.00 7.39 ? 51 ILE A CG2 1 ATOM 404 C CD1 . ILE A 1 51 ? 60.165 17.801 56.005 1.00 10.11 ? 51 ILE A CD1 1 ATOM 405 N N . SER A 1 52 ? 63.320 15.245 53.687 1.00 7.62 ? 52 SER A N 1 ATOM 406 C CA . SER A 1 52 ? 63.512 13.799 53.520 1.00 7.34 ? 52 SER A CA 1 ATOM 407 C C . SER A 1 52 ? 63.321 13.095 54.858 1.00 7.92 ? 52 SER A C 1 ATOM 408 O O . SER A 1 52 ? 64.058 13.324 55.831 1.00 8.48 ? 52 SER A O 1 ATOM 409 C CB . SER A 1 52 ? 64.913 13.507 53.018 1.00 8.20 ? 52 SER A CB 1 ATOM 410 O OG . SER A 1 52 ? 65.264 12.124 53.120 1.00 8.79 ? 52 SER A OG 1 ATOM 411 N N . ARG A 1 53 ? 62.355 12.171 54.880 1.00 8.64 ? 53 ARG A N 1 ATOM 412 C CA . ARG A 1 53 ? 62.180 11.308 56.051 1.00 9.86 ? 53 ARG A CA 1 ATOM 413 C C . ARG A 1 53 ? 63.450 10.516 56.336 1.00 10.50 ? 53 ARG A C 1 ATOM 414 O O . ARG A 1 53 ? 63.861 10.391 57.513 1.00 12.83 ? 53 ARG A O 1 ATOM 415 C CB . ARG A 1 53 ? 61.013 10.366 55.815 1.00 11.61 ? 53 ARG A CB 1 ATOM 416 C CG . ARG A 1 53 ? 59.654 11.075 55.849 1.00 11.46 ? 53 ARG A CG 1 ATOM 417 C CD . ARG A 1 53 ? 58.565 10.190 55.349 1.00 17.83 ? 53 ARG A CD 1 ATOM 418 N NE . ARG A 1 53 ? 57.215 10.579 55.676 1.00 18.95 ? 53 ARG A NE 1 ATOM 419 C CZ . ARG A 1 53 ? 56.142 9.755 55.480 1.00 20.27 ? 53 ARG A CZ 1 ATOM 420 N NH1 . ARG A 1 53 ? 56.279 8.569 54.911 1.00 27.65 ? 53 ARG A NH1 1 ATOM 421 N NH2 . ARG A 1 53 ? 54.999 10.210 55.886 1.00 31.75 ? 53 ARG A NH2 1 ATOM 422 N N . SER A 1 54 ? 64.030 9.924 55.309 1.00 10.84 ? 54 SER A N 1 ATOM 423 C CA . SER A 1 54 ? 65.172 9.008 55.495 1.00 11.79 ? 54 SER A CA 1 ATOM 424 C C . SER A 1 54 ? 66.415 9.737 55.920 1.00 11.87 ? 54 SER A C 1 ATOM 425 O O . SER A 1 54 ? 67.196 9.230 56.725 1.00 14.66 ? 54 SER A O 1 ATOM 426 C CB . SER A 1 54 ? 65.366 8.120 54.277 1.00 13.51 ? 54 SER A CB 1 ATOM 427 O OG . SER A 1 54 ? 65.748 8.867 53.180 1.00 14.05 ? 54 SER A OG 1 ATOM 428 N N . GLN A 1 55 ? 66.672 10.898 55.348 1.00 10.54 ? 55 GLN A N 1 ATOM 429 C CA . GLN A 1 55 ? 67.874 11.647 55.653 1.00 10.44 ? 55 GLN A CA 1 ATOM 430 C C . GLN A 1 55 ? 67.807 12.407 56.966 1.00 11.22 ? 55 GLN A C 1 ATOM 431 O O . GLN A 1 55 ? 68.866 12.702 57.566 1.00 14.51 ? 55 GLN A O 1 ATOM 432 C CB . GLN A 1 55 ? 68.273 12.565 54.529 1.00 11.16 ? 55 GLN A CB 1 ATOM 433 C CG . GLN A 1 55 ? 68.603 11.864 53.227 1.00 12.44 ? 55 GLN A CG 1 ATOM 434 C CD . GLN A 1 55 ? 69.073 12.799 52.132 1.00 16.33 ? 55 GLN A CD 1 ATOM 435 O OE1 . GLN A 1 55 ? 69.925 13.601 52.418 1.00 22.46 ? 55 GLN A OE1 1 ATOM 436 N NE2 . GLN A 1 55 ? 68.440 12.820 50.974 1.00 21.97 ? 55 GLN A NE2 1 ATOM 437 N N . GLY A 1 56 ? 66.623 12.721 57.429 1.00 11.02 ? 56 GLY A N 1 ATOM 438 C CA . GLY A 1 56 ? 66.413 13.449 58.639 1.00 11.18 ? 56 GLY A CA 1 ATOM 439 C C . GLY A 1 56 ? 66.413 14.971 58.443 1.00 8.91 ? 56 GLY A C 1 ATOM 440 O O . GLY A 1 56 ? 66.627 15.477 57.342 1.00 8.73 ? 56 GLY A O 1 ATOM 441 N N . PRO A 1 57 ? 66.169 15.688 59.525 1.00 9.59 ? 57 PRO A N 1 ATOM 442 C CA . PRO A 1 57 ? 65.913 17.118 59.417 1.00 10.91 ? 57 PRO A CA 1 ATOM 443 C C . PRO A 1 57 ? 67.077 17.895 58.841 1.00 10.41 ? 57 PRO A C 1 ATOM 444 O O . PRO A 1 57 ? 66.850 18.980 58.257 1.00 10.73 ? 57 PRO A O 1 ATOM 445 C CB . PRO A 1 57 ? 65.523 17.560 60.825 1.00 19.45 ? 57 PRO A CB 1 ATOM 446 C CG . PRO A 1 57 ? 65.649 16.370 61.667 1.00 18.98 ? 57 PRO A CG 1 ATOM 447 C CD . PRO A 1 57 ? 65.895 15.158 60.885 1.00 12.96 ? 57 PRO A CD 1 ATOM 448 N N . LYS A 1 58 ? 68.328 17.453 58.954 1.00 10.77 ? 58 LYS A N 1 ATOM 449 C CA . LYS A 1 58 ? 69.461 18.237 58.430 1.00 11.43 ? 58 LYS A CA 1 ATOM 450 C C . LYS A 1 58 ? 69.418 18.316 56.896 1.00 9.91 ? 58 LYS A C 1 ATOM 451 O O . LYS A 1 58 ? 70.022 19.232 56.343 1.00 12.55 ? 58 LYS A O 1 ATOM 452 C CB . LYS A 1 58 ? 70.764 17.526 58.826 1.00 16.24 ? 58 LYS A CB 1 ATOM 453 C CG . LYS A 1 58 ? 71.326 16.549 57.772 1.00 52.96 ? 58 LYS A CG 1 ATOM 454 C CD . LYS A 1 58 ? 72.801 16.157 58.003 1.00 64.53 ? 58 LYS A CD 1 ATOM 455 C CE . LYS A 1 58 ? 72.809 14.703 58.462 1.00 69.02 ? 58 LYS A CE 1 ATOM 456 N NZ . LYS A 1 58 ? 72.440 14.670 59.917 1.00 105.89 ? 58 LYS A NZ 1 ATOM 457 N N . ALA A 1 59 ? 68.663 17.450 56.233 1.00 9.16 ? 59 ALA A N 1 ATOM 458 C CA . ALA A 1 59 ? 68.572 17.536 54.753 1.00 8.81 ? 59 ALA A CA 1 ATOM 459 C C . ALA A 1 59 ? 67.674 18.711 54.328 1.00 7.47 ? 59 ALA A C 1 ATOM 460 O O . ALA A 1 59 ? 67.724 19.105 53.162 1.00 7.87 ? 59 ALA A O 1 ATOM 461 C CB . ALA A 1 59 ? 68.020 16.239 54.207 1.00 9.96 ? 59 ALA A CB 1 ATOM 462 N N . GLY A 1 60 ? 66.796 19.183 55.200 1.00 7.48 ? 60 GLY A N 1 ATOM 463 C CA . GLY A 1 60 ? 65.890 20.293 54.854 1.00 6.90 ? 60 GLY A CA 1 ATOM 464 C C . GLY A 1 60 ? 64.623 20.240 55.660 1.00 6.77 ? 60 GLY A C 1 ATOM 465 O O . GLY A 1 60 ? 64.156 19.204 56.136 1.00 7.74 ? 60 GLY A O 1 ATOM 466 N N . GLY A 1 61 ? 64.034 21.420 55.809 1.00 6.57 ? 61 GLY A N 1 ATOM 467 C CA . GLY A 1 61 ? 62.882 21.620 56.627 1.00 6.77 ? 61 GLY A CA 1 ATOM 468 C C . GLY A 1 61 ? 61.542 21.729 55.932 1.00 6.37 ? 61 GLY A C 1 ATOM 469 O O . GLY A 1 61 ? 60.550 22.096 56.577 1.00 7.59 ? 61 GLY A O 1 ATOM 470 N N . GLY A 1 62 ? 61.466 21.394 54.648 1.00 6.36 ? 62 GLY A N 1 ATOM 471 C CA . GLY A 1 62 ? 60.167 21.367 53.960 1.00 6.40 ? 62 GLY A CA 1 ATOM 472 C C . GLY A 1 62 ? 59.692 22.769 53.642 1.00 5.57 ? 62 GLY A C 1 ATOM 473 O O . GLY A 1 62 ? 60.453 23.603 53.148 1.00 6.19 ? 62 GLY A O 1 ATOM 474 N N . ALA A 1 63 ? 58.393 23.023 53.865 1.00 5.90 ? 63 ALA A N 1 ATOM 475 C CA . ALA A 1 63 ? 57.741 24.287 53.556 1.00 6.05 ? 63 ALA A CA 1 ATOM 476 C C . ALA A 1 63 ? 58.133 25.299 54.634 1.00 5.38 ? 63 ALA A C 1 ATOM 477 O O . ALA A 1 63 ? 57.387 25.540 55.587 1.00 6.53 ? 63 ALA A O 1 ATOM 478 C CB . ALA A 1 63 ? 56.232 24.102 53.483 1.00 6.36 ? 63 ALA A CB 1 ATOM 479 N N . ASP A 1 64 ? 59.329 25.831 54.501 1.00 6.10 ? 64 ASP A N 1 ATOM 480 C CA . ASP A 1 64 ? 60.040 26.545 55.557 1.00 6.24 ? 64 ASP A CA 1 ATOM 481 C C . ASP A 1 64 ? 60.636 27.854 55.099 1.00 6.10 ? 64 ASP A C 1 ATOM 482 O O . ASP A 1 64 ? 61.335 28.504 55.871 1.00 6.44 ? 64 ASP A O 1 ATOM 483 C CB . ASP A 1 64 ? 61.134 25.651 56.129 1.00 6.63 ? 64 ASP A CB 1 ATOM 484 C CG . ASP A 1 64 ? 62.249 25.298 55.159 1.00 6.55 ? 64 ASP A CG 1 ATOM 485 O OD1 . ASP A 1 64 ? 62.145 25.641 53.963 1.00 6.14 ? 64 ASP A OD1 1 ATOM 486 O OD2 . ASP A 1 64 ? 63.209 24.668 55.665 1.00 6.62 ? 64 ASP A OD2 1 ATOM 487 N N . GLY A 1 65 ? 60.358 28.287 53.859 1.00 6.09 ? 65 GLY A N 1 ATOM 488 C CA . GLY A 1 65 ? 60.923 29.528 53.376 1.00 6.47 ? 65 GLY A CA 1 ATOM 489 C C . GLY A 1 65 ? 62.396 29.484 53.133 1.00 5.90 ? 65 GLY A C 1 ATOM 490 O O . GLY A 1 65 ? 63.018 30.535 52.931 1.00 6.29 ? 65 GLY A O 1 ATOM 491 N N . SER A 1 66 ? 63.013 28.298 53.103 1.00 6.20 ? 66 SER A N 1 ATOM 492 C CA . SER A 1 66 ? 64.474 28.168 52.929 1.00 6.01 ? 66 SER A CA 1 ATOM 493 C C . SER A 1 66 ? 64.936 28.806 51.634 1.00 6.12 ? 66 SER A C 1 ATOM 494 O O . SER A 1 66 ? 66.039 29.373 51.600 1.00 6.80 ? 66 SER A O 1 ATOM 495 C CB . SER A 1 66 ? 64.900 26.714 52.982 1.00 6.23 ? 66 SER A CB 1 ATOM 496 O OG . SER A 1 66 ? 64.329 25.946 51.924 1.00 6.19 ? 66 SER A OG 1 ATOM 497 N N . MET A 1 67 ? 64.116 28.780 50.588 1.00 6.48 ? 67 MET A N 1 ATOM 498 C CA . MET A 1 67 ? 64.456 29.400 49.305 1.00 6.65 ? 67 MET A CA 1 ATOM 499 C C . MET A 1 67 ? 64.665 30.920 49.455 1.00 7.06 ? 67 MET A C 1 ATOM 500 O O . MET A 1 67 ? 65.484 31.498 48.746 1.00 7.62 ? 67 MET A O 1 ATOM 501 C CB . MET A 1 67 ? 63.335 29.115 48.310 1.00 7.48 ? 67 MET A CB 1 ATOM 502 C CG . MET A 1 67 ? 63.239 27.661 47.878 1.00 7.82 ? 67 MET A CG 1 ATOM 503 S SD . MET A 1 67 ? 64.565 27.325 46.675 1.00 10.30 ? 67 MET A SD 1 ATOM 504 C CE . MET A 1 67 ? 64.220 25.599 46.352 1.00 8.49 ? 67 MET A CE 1 ATOM 505 N N . LEU A 1 68 ? 63.849 31.576 50.293 1.00 5.99 ? 68 LEU A N 1 ATOM 506 C CA . LEU A 1 68 ? 63.941 32.990 50.519 1.00 6.57 ? 68 LEU A CA 1 ATOM 507 C C . LEU A 1 68 ? 65.009 33.367 51.573 1.00 6.45 ? 68 LEU A C 1 ATOM 508 O O . LEU A 1 68 ? 65.661 34.400 51.433 1.00 7.69 ? 68 LEU A O 1 ATOM 509 C CB . LEU A 1 68 ? 62.605 33.577 51.003 1.00 6.34 ? 68 LEU A CB 1 ATOM 510 C CG . LEU A 1 68 ? 61.383 33.398 50.148 1.00 11.56 ? 68 LEU A CG 1 ATOM 511 C CD1 . LEU A 1 68 ? 60.246 34.312 50.627 1.00 9.33 ? 68 LEU A CD1 1 ATOM 512 C CD2 . LEU A 1 68 ? 61.571 33.409 48.688 1.00 12.76 ? 68 LEU A CD2 1 ATOM 513 N N . LEU A 1 69 ? 65.159 32.533 52.593 1.00 6.67 ? 69 LEU A N 1 ATOM 514 C CA . LEU A 1 69 ? 66.031 32.827 53.707 1.00 6.60 ? 69 LEU A CA 1 ATOM 515 C C . LEU A 1 69 ? 67.514 32.496 53.405 1.00 6.54 ? 69 LEU A C 1 ATOM 516 O O . LEU A 1 69 ? 68.390 33.126 54.006 1.00 7.63 ? 69 LEU A O 1 ATOM 517 C CB . LEU A 1 69 ? 65.566 32.081 54.961 1.00 7.00 ? 69 LEU A CB 1 ATOM 518 C CG . LEU A 1 69 ? 64.217 32.552 55.503 1.00 7.39 ? 69 LEU A CG 1 ATOM 519 C CD1 . LEU A 1 69 ? 63.715 31.604 56.577 1.00 9.18 ? 69 LEU A CD1 1 ATOM 520 C CD2 . LEU A 1 69 ? 64.292 33.954 56.042 1.00 9.29 ? 69 LEU A CD2 1 ATOM 521 N N . PHE A 1 70 ? 67.735 31.598 52.470 1.00 6.66 ? 70 PHE A N 1 ATOM 522 C CA . PHE A 1 70 ? 69.063 31.204 51.981 1.00 6.84 ? 70 PHE A CA 1 ATOM 523 C C . PHE A 1 70 ? 69.075 31.321 50.480 1.00 6.45 ? 70 PHE A C 1 ATOM 524 O O . PHE A 1 70 ? 69.166 30.314 49.772 1.00 7.03 ? 70 PHE A O 1 ATOM 525 C CB . PHE A 1 70 ? 69.461 29.785 52.462 1.00 7.23 ? 70 PHE A CB 1 ATOM 526 C CG . PHE A 1 70 ? 69.480 29.666 53.990 1.00 6.73 ? 70 PHE A CG 1 ATOM 527 C CD1 . PHE A 1 70 ? 70.662 29.905 54.685 1.00 7.26 ? 70 PHE A CD1 1 ATOM 528 C CD2 . PHE A 1 70 ? 68.331 29.327 54.673 1.00 7.51 ? 70 PHE A CD2 1 ATOM 529 C CE1 . PHE A 1 70 ? 70.654 29.769 56.052 1.00 8.27 ? 70 PHE A CE1 1 ATOM 530 C CE2 . PHE A 1 70 ? 68.324 29.189 56.055 1.00 8.53 ? 70 PHE A CE2 1 ATOM 531 C CZ . PHE A 1 70 ? 69.517 29.400 56.712 1.00 8.43 ? 70 PHE A CZ 1 ATOM 532 N N . PRO A 1 71 ? 68.933 32.518 49.929 1.00 6.78 ? 71 PRO A N 1 ATOM 533 C CA . PRO A 1 71 ? 68.708 32.668 48.491 1.00 7.27 ? 71 PRO A CA 1 ATOM 534 C C . PRO A 1 71 ? 69.875 32.302 47.615 1.00 7.20 ? 71 PRO A C 1 ATOM 535 O O . PRO A 1 71 ? 69.694 32.119 46.402 1.00 7.67 ? 71 PRO A O 1 ATOM 536 C CB . PRO A 1 71 ? 68.275 34.133 48.363 1.00 8.90 ? 71 PRO A CB 1 ATOM 537 C CG . PRO A 1 71 ? 69.025 34.788 49.492 1.00 8.80 ? 71 PRO A CG 1 ATOM 538 C CD . PRO A 1 71 ? 68.885 33.823 50.628 1.00 7.17 ? 71 PRO A CD 1 ATOM 539 N N . THR A 1 72 ? 71.081 32.196 48.189 1.00 7.05 ? 72 THR A N 1 ATOM 540 C CA . THR A 1 72 ? 72.254 31.841 47.422 1.00 7.35 ? 72 THR A CA 1 ATOM 541 C C . THR A 1 72 ? 72.545 30.325 47.412 1.00 7.07 ? 72 THR A C 1 ATOM 542 O O . THR A 1 72 ? 73.477 29.911 46.714 1.00 7.70 ? 72 THR A O 1 ATOM 543 C CB . THR A 1 72 ? 73.506 32.579 47.879 1.00 8.29 ? 72 THR A CB 1 ATOM 544 O OG1 . THR A 1 72 ? 73.861 32.061 49.156 1.00 8.15 ? 72 THR A OG1 1 ATOM 545 C CG2 . THR A 1 72 ? 73.247 34.076 47.882 1.00 10.32 ? 72 THR A CG2 1 ATOM 546 N N . VAL A 1 73 ? 71.755 29.528 48.123 1.00 6.82 ? 73 VAL A N 1 ATOM 547 C CA . VAL A 1 73 ? 72.075 28.094 48.263 1.00 6.69 ? 73 VAL A CA 1 ATOM 548 C C . VAL A 1 73 ? 71.185 27.332 47.283 1.00 6.55 ? 73 VAL A C 1 ATOM 549 O O . VAL A 1 73 ? 71.575 27.074 46.139 1.00 7.26 ? 73 VAL A O 1 ATOM 550 C CB . VAL A 1 73 ? 71.933 27.628 49.723 1.00 7.63 ? 73 VAL A CB 1 ATOM 551 C CG1 . VAL A 1 73 ? 72.238 26.152 49.850 1.00 8.37 ? 73 VAL A CG1 1 ATOM 552 C CG2 . VAL A 1 73 ? 72.887 28.419 50.614 1.00 8.84 ? 73 VAL A CG2 1 ATOM 553 N N . GLU A 1 74 ? 69.955 26.943 47.696 1.00 6.57 ? 74 GLU A N 1 ATOM 554 C CA . GLU A 1 74 ? 69.170 26.064 46.853 1.00 6.11 ? 74 GLU A CA 1 ATOM 555 C C . GLU A 1 74 ? 68.855 26.636 45.493 1.00 6.49 ? 74 GLU A C 1 ATOM 556 O O . GLU A 1 74 ? 68.845 25.872 44.502 1.00 6.98 ? 74 GLU A O 1 ATOM 557 C CB . GLU A 1 74 ? 67.874 25.645 47.538 1.00 6.72 ? 74 GLU A CB 1 ATOM 558 C CG . GLU A 1 74 ? 68.040 24.876 48.837 1.00 6.98 ? 74 GLU A CG 1 ATOM 559 C CD . GLU A 1 74 ? 66.701 24.804 49.579 1.00 6.59 ? 74 GLU A CD 1 ATOM 560 O OE1 . GLU A 1 74 ? 66.590 25.495 50.631 1.00 6.90 ? 74 GLU A OE1 1 ATOM 561 O OE2 . GLU A 1 74 ? 65.800 24.123 49.046 1.00 6.89 ? 74 GLU A OE2 1 ATOM 562 N N . PRO A 1 75 ? 68.549 27.918 45.318 1.00 6.94 ? 75 PRO A N 1 ATOM 563 C CA . PRO A 1 75 ? 68.211 28.401 43.965 1.00 7.33 ? 75 PRO A CA 1 ATOM 564 C C . PRO A 1 75 ? 69.310 28.165 42.952 1.00 7.93 ? 75 PRO A C 1 ATOM 565 O O . PRO A 1 75 ? 69.032 28.173 41.748 1.00 10.02 ? 75 PRO A O 1 ATOM 566 C CB . PRO A 1 75 ? 67.910 29.881 44.193 1.00 8.38 ? 75 PRO A CB 1 ATOM 567 C CG . PRO A 1 75 ? 67.380 29.949 45.597 1.00 7.83 ? 75 PRO A CG 1 ATOM 568 C CD . PRO A 1 75 ? 68.285 28.987 46.325 1.00 7.37 ? 75 PRO A CD 1 ATOM 569 N N . ASN A 1 76 ? 70.556 27.971 43.380 1.00 8.19 ? 76 ASN A N 1 ATOM 570 C CA . ASN A 1 76 ? 71.661 27.707 42.493 1.00 9.21 ? 76 ASN A CA 1 ATOM 571 C C . ASN A 1 76 ? 71.929 26.263 42.231 1.00 8.43 ? 76 ASN A C 1 ATOM 572 O O . ASN A 1 76 ? 72.792 25.928 41.433 1.00 10.99 ? 76 ASN A O 1 ATOM 573 C CB . ASN A 1 76 ? 72.953 28.406 43.013 1.00 10.29 ? 76 ASN A CB 1 ATOM 574 C CG A ASN A 1 76 ? 72.848 29.889 42.818 0.52 11.60 ? 76 ASN A CG 1 ATOM 575 C CG B ASN A 1 76 ? 73.847 28.861 41.881 0.52 15.95 ? 76 ASN A CG 1 ATOM 576 O OD1 A ASN A 1 76 ? 73.046 30.589 43.843 0.52 13.64 ? 76 ASN A OD1 1 ATOM 577 O OD1 B ASN A 1 76 ? 73.389 29.268 40.832 0.52 17.01 ? 76 ASN A OD1 1 ATOM 578 N ND2 A ASN A 1 76 ? 72.496 30.359 41.637 0.52 9.77 ? 76 ASN A ND2 1 ATOM 579 N ND2 B ASN A 1 76 ? 75.151 28.795 42.077 0.52 18.82 ? 76 ASN A ND2 1 ATOM 580 N N . PHE A 1 77 ? 71.189 25.337 42.831 1.00 7.62 ? 77 PHE A N 1 ATOM 581 C CA . PHE A 1 77 ? 71.278 23.941 42.449 1.00 7.62 ? 77 PHE A CA 1 ATOM 582 C C . PHE A 1 77 ? 70.738 23.761 41.042 1.00 7.37 ? 77 PHE A C 1 ATOM 583 O O . PHE A 1 77 ? 69.771 24.437 40.641 1.00 7.89 ? 77 PHE A O 1 ATOM 584 C CB . PHE A 1 77 ? 70.459 23.042 43.384 1.00 7.13 ? 77 PHE A CB 1 ATOM 585 C CG . PHE A 1 77 ? 70.868 23.045 44.847 1.00 7.70 ? 77 PHE A CG 1 ATOM 586 C CD1 . PHE A 1 77 ? 72.137 23.437 45.261 1.00 9.20 ? 77 PHE A CD1 1 ATOM 587 C CD2 . PHE A 1 77 ? 69.940 22.598 45.798 1.00 8.62 ? 77 PHE A CD2 1 ATOM 588 C CE1 . PHE A 1 77 ? 72.413 23.335 46.641 1.00 10.24 ? 77 PHE A CE1 1 ATOM 589 C CE2 . PHE A 1 77 ? 70.281 22.504 47.135 1.00 8.87 ? 77 PHE A CE2 1 ATOM 590 C CZ . PHE A 1 77 ? 71.509 22.893 47.578 1.00 10.05 ? 77 PHE A CZ 1 ATOM 591 N N . SER A 1 78 ? 71.301 22.845 40.280 1.00 8.13 ? 78 SER A N 1 ATOM 592 C CA . SER A 1 78 ? 70.835 22.690 38.899 1.00 9.20 ? 78 SER A CA 1 ATOM 593 C C . SER A 1 78 ? 69.367 22.354 38.794 1.00 8.03 ? 78 SER A C 1 ATOM 594 O O . SER A 1 78 ? 68.706 22.879 37.875 1.00 8.77 ? 78 SER A O 1 ATOM 595 C CB . SER A 1 78 ? 71.704 21.657 38.210 1.00 13.02 ? 78 SER A CB 1 ATOM 596 O OG A SER A 1 78 ? 71.726 20.420 38.811 0.52 12.05 ? 78 SER A OG 1 ATOM 597 O OG B SER A 1 78 ? 73.056 21.920 38.267 0.52 26.83 ? 78 SER A OG 1 ATOM 598 N N . ALA A 1 79 ? 68.815 21.570 39.720 1.00 7.52 ? 79 ALA A N 1 ATOM 599 C CA . ALA A 1 79 ? 67.409 21.197 39.637 1.00 7.99 ? 79 ALA A CA 1 ATOM 600 C C . ALA A 1 79 ? 66.478 22.380 39.923 1.00 7.64 ? 79 ALA A C 1 ATOM 601 O O . ALA A 1 79 ? 65.277 22.289 39.668 1.00 9.36 ? 79 ALA A O 1 ATOM 602 C CB . ALA A 1 79 ? 67.117 20.050 40.557 1.00 8.54 ? 79 ALA A CB 1 ATOM 603 N N . ASN A 1 80 ? 67.014 23.443 40.467 1.00 7.09 ? 80 ASN A N 1 ATOM 604 C CA . ASN A 1 80 ? 66.265 24.660 40.775 1.00 6.86 ? 80 ASN A CA 1 ATOM 605 C C . ASN A 1 80 ? 66.510 25.759 39.751 1.00 7.71 ? 80 ASN A C 1 ATOM 606 O O . ASN A 1 80 ? 66.174 26.909 40.020 1.00 7.86 ? 80 ASN A O 1 ATOM 607 C CB . ASN A 1 80 ? 66.607 25.138 42.190 1.00 6.85 ? 80 ASN A CB 1 ATOM 608 C CG . ASN A 1 80 ? 66.044 24.255 43.252 1.00 7.00 ? 80 ASN A CG 1 ATOM 609 O OD1 . ASN A 1 80 ? 64.869 23.810 43.175 1.00 8.11 ? 80 ASN A OD1 1 ATOM 610 N ND2 . ASN A 1 80 ? 66.795 23.927 44.277 1.00 6.45 ? 80 ASN A ND2 1 ATOM 611 N N . ASN A 1 81 ? 67.023 25.440 38.582 1.00 8.26 ? 81 ASN A N 1 ATOM 612 C CA . ASN A 1 81 ? 67.277 26.457 37.579 1.00 8.51 ? 81 ASN A CA 1 ATOM 613 C C . ASN A 1 81 ? 65.990 27.169 37.233 1.00 8.03 ? 81 ASN A C 1 ATOM 614 O O . ASN A 1 81 ? 64.978 26.563 36.925 1.00 10.61 ? 81 ASN A O 1 ATOM 615 C CB . ASN A 1 81 ? 67.887 25.775 36.335 1.00 10.55 ? 81 ASN A CB 1 ATOM 616 C CG . ASN A 1 81 ? 68.538 26.744 35.392 1.00 12.39 ? 81 ASN A CG 1 ATOM 617 O OD1 . ASN A 1 81 ? 68.790 27.917 35.721 1.00 14.69 ? 81 ASN A OD1 1 ATOM 618 N ND2 . ASN A 1 81 ? 68.813 26.173 34.193 1.00 14.53 ? 81 ASN A ND2 1 ATOM 619 N N . GLY A 1 82 ? 66.056 28.501 37.284 1.00 8.79 ? 82 GLY A N 1 ATOM 620 C CA . GLY A 1 82 ? 64.939 29.362 37.042 1.00 9.18 ? 82 GLY A CA 1 ATOM 621 C C . GLY A 1 82 ? 64.121 29.784 38.261 1.00 7.66 ? 82 GLY A C 1 ATOM 622 O O . GLY A 1 82 ? 63.287 30.679 38.094 1.00 9.05 ? 82 GLY A O 1 ATOM 623 N N . ILE A 1 83 ? 64.337 29.173 39.390 1.00 7.56 ? 83 ILE A N 1 ATOM 624 C CA . ILE A 1 83 ? 63.616 29.524 40.610 1.00 7.56 ? 83 ILE A CA 1 ATOM 625 C C . ILE A 1 83 ? 64.012 30.908 41.133 1.00 7.26 ? 83 ILE A C 1 ATOM 626 O O . ILE A 1 83 ? 63.236 31.552 41.839 1.00 7.69 ? 83 ILE A O 1 ATOM 627 C CB . ILE A 1 83 ? 63.818 28.439 41.674 1.00 8.82 ? 83 ILE A CB 1 ATOM 628 C CG1 A ILE A 1 83 ? 62.440 28.230 42.370 0.52 13.46 ? 83 ILE A CG1 1 ATOM 629 C CG1 B ILE A 1 83 ? 63.178 27.119 41.329 0.52 6.50 ? 83 ILE A CG1 1 ATOM 630 C CG2 A ILE A 1 83 ? 64.941 28.699 42.590 0.52 12.79 ? 83 ILE A CG2 1 ATOM 631 C CG2 B ILE A 1 83 ? 63.560 28.889 43.104 0.52 8.23 ? 83 ILE A CG2 1 ATOM 632 C CD1 A ILE A 1 83 ? 61.458 27.441 41.540 0.52 20.75 ? 83 ILE A CD1 1 ATOM 633 C CD1 B ILE A 1 83 ? 61.663 27.057 41.499 0.52 12.27 ? 83 ILE A CD1 1 ATOM 634 N N . ASP A 1 84 ? 65.192 31.371 40.758 1.00 7.48 ? 84 ASP A N 1 ATOM 635 C CA . ASP A 1 84 ? 65.682 32.687 41.191 1.00 8.55 ? 84 ASP A CA 1 ATOM 636 C C . ASP A 1 84 ? 64.678 33.797 41.045 1.00 8.15 ? 84 ASP A C 1 ATOM 637 O O . ASP A 1 84 ? 64.526 34.624 41.914 1.00 8.80 ? 84 ASP A O 1 ATOM 638 C CB . ASP A 1 84 ? 67.007 33.019 40.515 1.00 10.18 ? 84 ASP A CB 1 ATOM 639 C CG . ASP A 1 84 ? 67.013 33.024 39.003 1.00 11.31 ? 84 ASP A CG 1 ATOM 640 O OD1 . ASP A 1 84 ? 68.096 33.339 38.442 1.00 16.11 ? 84 ASP A OD1 1 ATOM 641 O OD2 . ASP A 1 84 ? 66.067 32.573 38.330 1.00 11.74 ? 84 ASP A OD2 1 ATOM 642 N N . ASP A 1 85 ? 63.978 33.870 39.883 1.00 9.19 ? 85 ASP A N 1 ATOM 643 C CA . ASP A 1 85 ? 63.090 35.016 39.664 1.00 10.91 ? 85 ASP A CA 1 ATOM 644 C C . ASP A 1 85 ? 61.974 35.092 40.695 1.00 8.39 ? 85 ASP A C 1 ATOM 645 O O . ASP A 1 85 ? 61.673 36.155 41.246 1.00 8.47 ? 85 ASP A O 1 ATOM 646 C CB . ASP A 1 85 ? 62.521 34.919 38.250 1.00 15.30 ? 85 ASP A CB 1 ATOM 647 C CG . ASP A 1 85 ? 63.451 35.384 37.164 1.00 24.24 ? 85 ASP A CG 1 ATOM 648 O OD1 . ASP A 1 85 ? 64.523 35.960 37.397 1.00 26.85 ? 85 ASP A OD1 1 ATOM 649 O OD2 . ASP A 1 85 ? 63.110 35.089 35.984 1.00 44.14 ? 85 ASP A OD2 1 ATOM 650 N N . SER A 1 86 ? 61.375 33.955 41.028 1.00 8.09 ? 86 SER A N 1 ATOM 651 C CA . SER A 1 86 ? 60.308 33.916 42.020 1.00 7.80 ? 86 SER A CA 1 ATOM 652 C C . SER A 1 86 ? 60.835 34.305 43.414 1.00 6.66 ? 86 SER A C 1 ATOM 653 O O . SER A 1 86 ? 60.146 34.983 44.158 1.00 7.37 ? 86 SER A O 1 ATOM 654 C CB . SER A 1 86 ? 59.636 32.550 42.041 1.00 8.47 ? 86 SER A CB 1 ATOM 655 O OG . SER A 1 86 ? 60.482 31.499 42.468 1.00 8.49 ? 86 SER A OG 1 ATOM 656 N N . VAL A 1 87 ? 62.003 33.818 43.768 1.00 6.78 ? 87 VAL A N 1 ATOM 657 C CA . VAL A 1 87 ? 62.612 34.156 45.032 1.00 6.86 ? 87 VAL A CA 1 ATOM 658 C C . VAL A 1 87 ? 62.841 35.649 45.126 1.00 6.90 ? 87 VAL A C 1 ATOM 659 O O . VAL A 1 87 ? 62.523 36.302 46.131 1.00 7.20 ? 87 VAL A O 1 ATOM 660 C CB . VAL A 1 87 ? 63.922 33.370 45.248 1.00 7.20 ? 87 VAL A CB 1 ATOM 661 C CG1 . VAL A 1 87 ? 64.679 33.937 46.446 1.00 8.44 ? 87 VAL A CG1 1 ATOM 662 C CG2 . VAL A 1 87 ? 63.620 31.894 45.418 1.00 8.14 ? 87 VAL A CG2 1 ATOM 663 N N . ASN A 1 88 ? 63.446 36.216 44.086 1.00 6.96 ? 88 ASN A N 1 ATOM 664 C CA . ASN A 1 88 ? 63.700 37.656 44.055 1.00 7.40 ? 88 ASN A CA 1 ATOM 665 C C . ASN A 1 88 ? 62.411 38.465 44.052 1.00 6.85 ? 88 ASN A C 1 ATOM 666 O O . ASN A 1 88 ? 62.402 39.593 44.585 1.00 7.77 ? 88 ASN A O 1 ATOM 667 C CB . ASN A 1 88 ? 64.625 37.977 42.877 1.00 8.61 ? 88 ASN A CB 1 ATOM 668 C CG . ASN A 1 88 ? 66.053 37.460 43.095 1.00 8.27 ? 88 ASN A CG 1 ATOM 669 O OD1 . ASN A 1 88 ? 66.486 37.270 44.240 1.00 9.00 ? 88 ASN A OD1 1 ATOM 670 N ND2 . ASN A 1 88 ? 66.731 37.233 42.024 1.00 10.03 ? 88 ASN A ND2 1 ATOM 671 N N . ASN A 1 89 ? 61.348 37.943 43.469 1.00 6.97 ? 89 ASN A N 1 ATOM 672 C CA . ASN A 1 89 ? 60.069 38.623 43.525 1.00 7.26 ? 89 ASN A CA 1 ATOM 673 C C . ASN A 1 89 ? 59.415 38.568 44.913 1.00 7.35 ? 89 ASN A C 1 ATOM 674 O O . ASN A 1 89 ? 58.703 39.526 45.253 1.00 8.61 ? 89 ASN A O 1 ATOM 675 C CB . ASN A 1 89 ? 59.099 38.121 42.470 1.00 7.23 ? 89 ASN A CB 1 ATOM 676 C CG . ASN A 1 89 ? 59.229 38.850 41.165 1.00 7.38 ? 89 ASN A CG 1 ATOM 677 O OD1 . ASN A 1 89 ? 59.949 39.811 41.016 1.00 8.33 ? 89 ASN A OD1 1 ATOM 678 N ND2 . ASN A 1 89 ? 58.503 38.382 40.156 1.00 10.89 ? 89 ASN A ND2 1 ATOM 679 N N . LEU A 1 90 ? 59.615 37.509 45.675 1.00 6.48 ? 90 LEU A N 1 ATOM 680 C CA . LEU A 1 90 ? 58.980 37.431 47.007 1.00 7.16 ? 90 LEU A CA 1 ATOM 681 C C . LEU A 1 90 ? 59.777 38.073 48.120 1.00 6.78 ? 90 LEU A C 1 ATOM 682 O O . LEU A 1 90 ? 59.166 38.520 49.099 1.00 7.38 ? 90 LEU A O 1 ATOM 683 C CB . LEU A 1 90 ? 58.614 35.982 47.348 1.00 6.87 ? 90 LEU A CB 1 ATOM 684 C CG . LEU A 1 90 ? 57.520 35.357 46.510 1.00 6.66 ? 90 LEU A CG 1 ATOM 685 C CD1 . LEU A 1 90 ? 57.133 34.022 47.124 1.00 7.80 ? 90 LEU A CD1 1 ATOM 686 C CD2 . LEU A 1 90 ? 56.281 36.251 46.389 1.00 8.91 ? 90 LEU A CD2 1 ATOM 687 N N . ILE A 1 91 ? 61.105 38.123 48.016 1.00 7.35 ? 91 ILE A N 1 ATOM 688 C CA . ILE A 1 91 ? 61.894 38.749 49.105 1.00 7.75 ? 91 ILE A CA 1 ATOM 689 C C . ILE A 1 91 ? 61.413 40.123 49.477 1.00 7.96 ? 91 ILE A C 1 ATOM 690 O O . ILE A 1 91 ? 61.280 40.434 50.684 1.00 8.58 ? 91 ILE A O 1 ATOM 691 C CB . ILE A 1 91 ? 63.382 38.671 48.776 1.00 7.95 ? 91 ILE A CB 1 ATOM 692 C CG1 . ILE A 1 91 ? 63.909 37.245 49.019 1.00 9.02 ? 91 ILE A CG1 1 ATOM 693 C CG2 . ILE A 1 91 ? 64.164 39.732 49.538 1.00 9.81 ? 91 ILE A CG2 1 ATOM 694 C CD1 . ILE A 1 91 ? 65.314 37.015 48.532 1.00 9.45 ? 91 ILE A CD1 1 ATOM 695 N N . PRO A 1 92 ? 61.071 41.024 48.540 1.00 8.18 ? 92 PRO A N 1 ATOM 696 C CA . PRO A 1 92 ? 60.590 42.350 48.971 1.00 9.02 ? 92 PRO A CA 1 ATOM 697 C C . PRO A 1 92 ? 59.329 42.269 49.806 1.00 8.34 ? 92 PRO A C 1 ATOM 698 O O . PRO A 1 92 ? 59.119 43.152 50.669 1.00 9.62 ? 92 PRO A O 1 ATOM 699 C CB . PRO A 1 92 ? 60.438 43.123 47.636 1.00 10.73 ? 92 PRO A CB 1 ATOM 700 C CG . PRO A 1 92 ? 61.414 42.443 46.709 1.00 11.60 ? 92 PRO A CG 1 ATOM 701 C CD . PRO A 1 92 ? 61.320 40.969 47.086 1.00 9.84 ? 92 PRO A CD 1 ATOM 702 N N . PHE A 1 93 ? 58.475 41.325 49.548 1.00 8.66 ? 93 PHE A N 1 ATOM 703 C CA . PHE A 1 93 ? 57.261 41.158 50.335 1.00 8.20 ? 93 PHE A CA 1 ATOM 704 C C . PHE A 1 93 ? 57.577 40.647 51.733 1.00 8.40 ? 93 PHE A C 1 ATOM 705 O O . PHE A 1 93 ? 56.919 41.030 52.701 1.00 9.30 ? 93 PHE A O 1 ATOM 706 C CB . PHE A 1 93 ? 56.223 40.221 49.670 1.00 7.98 ? 93 PHE A CB 1 ATOM 707 C CG . PHE A 1 93 ? 55.731 40.771 48.342 1.00 8.32 ? 93 PHE A CG 1 ATOM 708 C CD1 . PHE A 1 93 ? 56.428 40.503 47.157 1.00 8.12 ? 93 PHE A CD1 1 ATOM 709 C CD2 . PHE A 1 93 ? 54.605 41.591 48.268 1.00 9.52 ? 93 PHE A CD2 1 ATOM 710 C CE1 . PHE A 1 93 ? 56.029 41.037 45.969 1.00 9.17 ? 93 PHE A CE1 1 ATOM 711 C CE2 . PHE A 1 93 ? 54.230 42.085 47.062 1.00 11.29 ? 93 PHE A CE2 1 ATOM 712 C CZ . PHE A 1 93 ? 54.899 41.820 45.911 1.00 11.35 ? 93 PHE A CZ 1 ATOM 713 N N . MET A 1 94 ? 58.551 39.753 51.851 1.00 8.32 ? 94 MET A N 1 ATOM 714 C CA . MET A 1 94 ? 59.031 39.271 53.150 1.00 8.65 ? 94 MET A CA 1 ATOM 715 C C . MET A 1 94 ? 59.504 40.430 53.994 1.00 8.89 ? 94 MET A C 1 ATOM 716 O O . MET A 1 94 ? 59.275 40.508 55.216 1.00 10.69 ? 94 MET A O 1 ATOM 717 C CB . MET A 1 94 ? 60.185 38.279 52.934 1.00 9.01 ? 94 MET A CB 1 ATOM 718 C CG . MET A 1 94 ? 60.804 37.745 54.211 1.00 9.96 ? 94 MET A CG 1 ATOM 719 S SD . MET A 1 94 ? 62.232 36.740 53.954 1.00 10.22 ? 94 MET A SD 1 ATOM 720 C CE . MET A 1 94 ? 63.400 38.023 53.501 1.00 12.49 ? 94 MET A CE 1 ATOM 721 N N . GLN A 1 95 ? 60.253 41.378 53.369 1.00 9.31 ? 95 GLN A N 1 ATOM 722 C CA . GLN A 1 95 ? 60.801 42.494 54.098 1.00 10.35 ? 95 GLN A CA 1 ATOM 723 C C . GLN A 1 95 ? 59.728 43.484 54.517 1.00 10.74 ? 95 GLN A C 1 ATOM 724 O O . GLN A 1 95 ? 59.862 44.079 55.584 1.00 12.71 ? 95 GLN A O 1 ATOM 725 C CB . GLN A 1 95 ? 61.830 43.195 53.214 1.00 11.81 ? 95 GLN A CB 1 ATOM 726 C CG . GLN A 1 95 ? 62.993 42.253 52.861 1.00 12.14 ? 95 GLN A CG 1 ATOM 727 C CD . GLN A 1 95 ? 64.044 42.886 51.975 1.00 15.22 ? 95 GLN A CD 1 ATOM 728 O OE1 . GLN A 1 95 ? 65.246 42.506 52.083 1.00 20.44 ? 95 GLN A OE1 1 ATOM 729 N NE2 . GLN A 1 95 ? 63.625 43.649 50.988 1.00 15.93 ? 95 GLN A NE2 1 ATOM 730 N N . LYS A 1 96 ? 58.710 43.696 53.701 1.00 10.90 ? 96 LYS A N 1 ATOM 731 C CA . LYS A 1 96 ? 57.665 44.693 53.928 1.00 11.26 ? 96 LYS A CA 1 ATOM 732 C C . LYS A 1 96 ? 56.622 44.128 54.865 1.00 11.55 ? 96 LYS A C 1 ATOM 733 O O . LYS A 1 96 ? 56.202 44.771 55.837 1.00 12.83 ? 96 LYS A O 1 ATOM 734 C CB . LYS A 1 96 ? 57.090 45.145 52.600 1.00 12.79 ? 96 LYS A CB 1 ATOM 735 C CG . LYS A 1 96 ? 55.995 46.153 52.596 1.00 17.13 ? 96 LYS A CG 1 ATOM 736 C CD . LYS A 1 96 ? 55.566 46.406 51.165 1.00 17.12 ? 96 LYS A CD 1 ATOM 737 C CE . LYS A 1 96 ? 54.526 47.476 50.964 1.00 20.81 ? 96 LYS A CE 1 ATOM 738 N NZ . LYS A 1 96 ? 54.263 47.657 49.476 1.00 22.04 ? 96 LYS A NZ 1 ATOM 739 N N . HIS A 1 97 ? 56.091 42.946 54.538 1.00 9.79 ? 97 HIS A N 1 ATOM 740 C CA . HIS A 1 97 ? 55.011 42.299 55.277 1.00 9.72 ? 97 HIS A CA 1 ATOM 741 C C . HIS A 1 97 ? 55.671 41.433 56.361 1.00 10.30 ? 97 HIS A C 1 ATOM 742 O O . HIS A 1 97 ? 55.652 40.207 56.347 1.00 10.27 ? 97 HIS A O 1 ATOM 743 C CB . HIS A 1 97 ? 54.108 41.492 54.367 1.00 9.53 ? 97 HIS A CB 1 ATOM 744 C CG . HIS A 1 97 ? 53.419 42.350 53.345 1.00 9.32 ? 97 HIS A CG 1 ATOM 745 N ND1 . HIS A 1 97 ? 52.195 42.876 53.574 1.00 10.36 ? 97 HIS A ND1 1 ATOM 746 C CD2 . HIS A 1 97 ? 53.820 42.785 52.132 1.00 10.06 ? 97 HIS A CD2 1 ATOM 747 C CE1 . HIS A 1 97 ? 51.858 43.602 52.547 1.00 10.46 ? 97 HIS A CE1 1 ATOM 748 N NE2 . HIS A 1 97 ? 52.835 43.592 51.617 1.00 10.05 ? 97 HIS A NE2 1 ATOM 749 N N . ASN A 1 98 ? 56.305 42.141 57.301 1.00 11.31 ? 98 ASN A N 1 ATOM 750 C CA . ASN A 1 98 ? 57.301 41.564 58.178 1.00 11.89 ? 98 ASN A CA 1 ATOM 751 C C . ASN A 1 98 ? 56.721 41.033 59.466 1.00 12.36 ? 98 ASN A C 1 ATOM 752 O O . ASN A 1 98 ? 57.493 40.748 60.411 1.00 13.27 ? 98 ASN A O 1 ATOM 753 C CB . ASN A 1 98 ? 58.474 42.535 58.419 1.00 14.54 ? 98 ASN A CB 1 ATOM 754 C CG . ASN A 1 98 ? 58.036 43.756 59.215 1.00 19.77 ? 98 ASN A CG 1 ATOM 755 O OD1 . ASN A 1 98 ? 56.866 44.017 59.431 1.00 20.57 ? 98 ASN A OD1 1 ATOM 756 N ND2 . ASN A 1 98 ? 59.005 44.462 59.805 1.00 21.89 ? 98 ASN A ND2 1 ATOM 757 N N . THR A 1 99 ? 55.430 40.748 59.471 1.00 11.17 ? 99 THR A N 1 ATOM 758 C CA . THR A 1 99 ? 54.821 39.929 60.482 1.00 11.09 ? 99 THR A CA 1 ATOM 759 C C . THR A 1 99 ? 54.536 38.521 60.024 1.00 10.63 ? 99 THR A C 1 ATOM 760 O O . THR A 1 99 ? 54.058 37.682 60.788 1.00 11.80 ? 99 THR A O 1 ATOM 761 C CB . THR A 1 99 ? 53.568 40.522 61.135 1.00 13.27 ? 99 THR A CB 1 ATOM 762 O OG1 . THR A 1 99 ? 52.489 40.477 60.194 1.00 13.94 ? 99 THR A OG1 1 ATOM 763 C CG2 . THR A 1 99 ? 53.853 41.978 61.623 1.00 17.22 ? 99 THR A CG2 1 ATOM 764 N N . ILE A 1 100 ? 54.743 38.237 58.737 1.00 9.34 ? 100 ILE A N 1 ATOM 765 C CA . ILE A 1 100 ? 54.453 36.961 58.101 1.00 8.06 ? 100 ILE A CA 1 ATOM 766 C C . ILE A 1 100 ? 55.758 36.272 57.749 1.00 7.86 ? 100 ILE A C 1 ATOM 767 O O . ILE A 1 100 ? 56.620 36.824 57.084 1.00 8.37 ? 100 ILE A O 1 ATOM 768 C CB . ILE A 1 100 ? 53.562 37.199 56.869 1.00 7.74 ? 100 ILE A CB 1 ATOM 769 C CG1 . ILE A 1 100 ? 52.197 37.747 57.299 1.00 9.22 ? 100 ILE A CG1 1 ATOM 770 C CG2 . ILE A 1 100 ? 53.456 35.926 56.046 1.00 8.35 ? 100 ILE A CG2 1 ATOM 771 C CD1 . ILE A 1 100 ? 51.373 38.248 56.164 1.00 10.15 ? 100 ILE A CD1 1 ATOM 772 N N . SER A 1 101 ? 55.945 35.029 58.249 1.00 7.36 ? 101 SER A N 1 ATOM 773 C CA . SER A 1 101 ? 57.190 34.300 58.000 1.00 7.02 ? 101 SER A CA 1 ATOM 774 C C . SER A 1 101 ? 57.387 34.049 56.514 1.00 6.83 ? 101 SER A C 1 ATOM 775 O O . SER A 1 101 ? 56.460 33.983 55.693 1.00 6.86 ? 101 SER A O 1 ATOM 776 C CB . SER A 1 101 ? 57.191 32.995 58.735 1.00 7.69 ? 101 SER A CB 1 ATOM 777 O OG . SER A 1 101 ? 56.217 32.094 58.177 1.00 7.34 ? 101 SER A OG 1 ATOM 778 N N . ALA A 1 102 ? 58.671 33.887 56.146 1.00 6.92 ? 102 ALA A N 1 ATOM 779 C CA . ALA A 1 102 ? 59.001 33.525 54.767 1.00 6.45 ? 102 ALA A CA 1 ATOM 780 C C . ALA A 1 102 ? 58.264 32.272 54.319 1.00 6.19 ? 102 ALA A C 1 ATOM 781 O O . ALA A 1 102 ? 57.735 32.226 53.190 1.00 6.44 ? 102 ALA A O 1 ATOM 782 C CB . ALA A 1 102 ? 60.518 33.303 54.665 1.00 6.88 ? 102 ALA A CB 1 ATOM 783 N N . ALA A 1 103 ? 58.188 31.283 55.207 1.00 6.00 ? 103 ALA A N 1 ATOM 784 C CA . ALA A 1 103 ? 57.505 30.030 54.857 1.00 6.04 ? 103 ALA A CA 1 ATOM 785 C C . ALA A 1 103 ? 56.031 30.232 54.546 1.00 5.85 ? 103 ALA A C 1 ATOM 786 O O . ALA A 1 103 ? 55.477 29.690 53.592 1.00 6.28 ? 103 ALA A O 1 ATOM 787 C CB . ALA A 1 103 ? 57.636 29.030 55.990 1.00 6.99 ? 103 ALA A CB 1 ATOM 788 N N . ASP A 1 104 ? 55.358 31.004 55.416 1.00 6.17 ? 104 ASP A N 1 ATOM 789 C CA . ASP A 1 104 ? 53.944 31.311 55.198 1.00 6.45 ? 104 ASP A CA 1 ATOM 790 C C . ASP A 1 104 ? 53.747 32.151 53.956 1.00 5.80 ? 104 ASP A C 1 ATOM 791 O O . ASP A 1 104 ? 52.788 31.920 53.209 1.00 6.62 ? 104 ASP A O 1 ATOM 792 C CB . ASP A 1 104 ? 53.347 32.093 56.403 1.00 6.19 ? 104 ASP A CB 1 ATOM 793 C CG . ASP A 1 104 ? 53.053 31.271 57.634 1.00 6.61 ? 104 ASP A CG 1 ATOM 794 O OD1 . ASP A 1 104 ? 53.314 30.052 57.712 1.00 7.03 ? 104 ASP A OD1 1 ATOM 795 O OD2 . ASP A 1 104 ? 52.514 31.917 58.582 1.00 7.56 ? 104 ASP A OD2 1 ATOM 796 N N . LEU A 1 105 ? 54.630 33.106 53.702 1.00 6.14 ? 105 LEU A N 1 ATOM 797 C CA . LEU A 1 105 ? 54.576 33.914 52.481 1.00 6.14 ? 105 LEU A CA 1 ATOM 798 C C . LEU A 1 105 ? 54.584 33.052 51.241 1.00 5.95 ? 105 LEU A C 1 ATOM 799 O O . LEU A 1 105 ? 53.816 33.290 50.299 1.00 6.16 ? 105 LEU A O 1 ATOM 800 C CB . LEU A 1 105 ? 55.733 34.920 52.513 1.00 6.48 ? 105 LEU A CB 1 ATOM 801 C CG . LEU A 1 105 ? 56.022 35.657 51.205 1.00 6.86 ? 105 LEU A CG 1 ATOM 802 C CD1 . LEU A 1 105 ? 54.861 36.520 50.770 1.00 7.53 ? 105 LEU A CD1 1 ATOM 803 C CD2 . LEU A 1 105 ? 57.284 36.506 51.372 1.00 7.45 ? 105 LEU A CD2 1 ATOM 804 N N . VAL A 1 106 ? 55.524 32.090 51.187 1.00 6.17 ? 106 VAL A N 1 ATOM 805 C CA . VAL A 1 106 ? 55.616 31.251 50.005 1.00 5.79 ? 106 VAL A CA 1 ATOM 806 C C . VAL A 1 106 ? 54.324 30.525 49.754 1.00 6.36 ? 106 VAL A C 1 ATOM 807 O O . VAL A 1 106 ? 53.804 30.509 48.657 1.00 6.91 ? 106 VAL A O 1 ATOM 808 C CB . VAL A 1 106 ? 56.835 30.302 50.097 1.00 6.81 ? 106 VAL A CB 1 ATOM 809 C CG1 . VAL A 1 106 ? 56.777 29.248 49.031 1.00 7.13 ? 106 VAL A CG1 1 ATOM 810 C CG2 . VAL A 1 106 ? 58.147 31.076 50.040 1.00 7.17 ? 106 VAL A CG2 1 ATOM 811 N N . GLN A 1 107 ? 53.814 29.815 50.801 1.00 5.90 ? 107 GLN A N 1 ATOM 812 C CA . GLN A 1 107 ? 52.604 29.028 50.595 1.00 6.10 ? 107 GLN A CA 1 ATOM 813 C C . GLN A 1 107 ? 51.407 29.903 50.266 1.00 5.95 ? 107 GLN A C 1 ATOM 814 O O . GLN A 1 107 ? 50.598 29.547 49.399 1.00 6.28 ? 107 GLN A O 1 ATOM 815 C CB . GLN A 1 107 ? 52.346 28.123 51.797 1.00 6.51 ? 107 GLN A CB 1 ATOM 816 C CG . GLN A 1 107 ? 53.376 27.063 51.986 1.00 6.65 ? 107 GLN A CG 1 ATOM 817 C CD . GLN A 1 107 ? 53.696 26.247 50.763 1.00 6.54 ? 107 GLN A CD 1 ATOM 818 O OE1 . GLN A 1 107 ? 54.949 26.046 50.434 1.00 8.57 ? 107 GLN A OE1 1 ATOM 819 N NE2 . GLN A 1 107 ? 52.762 25.755 50.100 1.00 6.17 ? 107 GLN A NE2 1 ATOM 820 N N . PHE A 1 108 ? 51.274 31.013 50.949 1.00 5.95 ? 108 PHE A N 1 ATOM 821 C CA . PHE A 1 108 ? 50.143 31.924 50.684 1.00 6.10 ? 108 PHE A CA 1 ATOM 822 C C . PHE A 1 108 ? 50.213 32.494 49.287 1.00 6.06 ? 108 PHE A C 1 ATOM 823 O O . PHE A 1 108 ? 49.214 32.590 48.583 1.00 6.23 ? 108 PHE A O 1 ATOM 824 C CB . PHE A 1 108 ? 50.129 33.060 51.734 1.00 6.88 ? 108 PHE A CB 1 ATOM 825 C CG . PHE A 1 108 ? 48.896 33.943 51.616 1.00 6.73 ? 108 PHE A CG 1 ATOM 826 C CD1 . PHE A 1 108 ? 49.002 35.248 51.193 1.00 7.09 ? 108 PHE A CD1 1 ATOM 827 C CD2 . PHE A 1 108 ? 47.648 33.423 51.931 1.00 6.78 ? 108 PHE A CD2 1 ATOM 828 C CE1 . PHE A 1 108 ? 47.880 36.073 51.144 1.00 7.52 ? 108 PHE A CE1 1 ATOM 829 C CE2 . PHE A 1 108 ? 46.530 34.214 51.865 1.00 7.37 ? 108 PHE A CE2 1 ATOM 830 C CZ . PHE A 1 108 ? 46.651 35.521 51.438 1.00 8.03 ? 108 PHE A CZ 1 ATOM 831 N N . ALA A 1 109 ? 51.404 32.932 48.879 1.00 6.14 ? 109 ALA A N 1 ATOM 832 C CA . ALA A 1 109 ? 51.578 33.513 47.543 1.00 6.11 ? 109 ALA A CA 1 ATOM 833 C C . ALA A 1 109 ? 51.166 32.508 46.476 1.00 5.96 ? 109 ALA A C 1 ATOM 834 O O . ALA A 1 109 ? 50.562 32.890 45.477 1.00 6.34 ? 109 ALA A O 1 ATOM 835 C CB . ALA A 1 109 ? 52.978 33.991 47.334 1.00 6.88 ? 109 ALA A CB 1 ATOM 836 N N . GLY A 1 110 ? 51.518 31.226 46.684 1.00 6.12 ? 110 GLY A N 1 ATOM 837 C CA . GLY A 1 110 ? 51.046 30.255 45.745 1.00 6.49 ? 110 GLY A CA 1 ATOM 838 C C . GLY A 1 110 ? 49.572 30.072 45.680 1.00 6.08 ? 110 GLY A C 1 ATOM 839 O O . GLY A 1 110 ? 49.008 29.885 44.590 1.00 6.71 ? 110 GLY A O 1 ATOM 840 N N . ALA A 1 111 ? 48.907 30.094 46.828 1.00 6.32 ? 111 ALA A N 1 ATOM 841 C CA . ALA A 1 111 ? 47.477 30.022 46.881 1.00 6.24 ? 111 ALA A CA 1 ATOM 842 C C . ALA A 1 111 ? 46.827 31.197 46.148 1.00 6.17 ? 111 ALA A C 1 ATOM 843 O O . ALA A 1 111 ? 45.840 31.035 45.424 1.00 6.57 ? 111 ALA A O 1 ATOM 844 C CB . ALA A 1 111 ? 46.983 29.928 48.329 1.00 6.96 ? 111 ALA A CB 1 ATOM 845 N N . VAL A 1 112 ? 47.363 32.399 46.373 1.00 6.22 ? 112 VAL A N 1 ATOM 846 C CA . VAL A 1 112 ? 46.853 33.601 45.694 1.00 6.20 ? 112 VAL A CA 1 ATOM 847 C C . VAL A 1 112 ? 47.061 33.466 44.189 1.00 6.56 ? 112 VAL A C 1 ATOM 848 O O . VAL A 1 112 ? 46.145 33.714 43.384 1.00 6.95 ? 112 VAL A O 1 ATOM 849 C CB . VAL A 1 112 ? 47.566 34.850 46.234 1.00 6.88 ? 112 VAL A CB 1 ATOM 850 C CG1 . VAL A 1 112 ? 47.221 36.086 45.414 1.00 7.62 ? 112 VAL A CG1 1 ATOM 851 C CG2 . VAL A 1 112 ? 47.207 35.096 47.689 1.00 7.83 ? 112 VAL A CG2 1 ATOM 852 N N . ALA A 1 113 ? 48.263 33.062 43.774 1.00 6.19 ? 113 ALA A N 1 ATOM 853 C CA . ALA A 1 113 ? 48.555 32.894 42.342 1.00 6.34 ? 113 ALA A CA 1 ATOM 854 C C . ALA A 1 113 ? 47.597 31.909 41.691 1.00 6.38 ? 113 ALA A C 1 ATOM 855 O O . ALA A 1 113 ? 47.015 32.180 40.642 1.00 6.86 ? 113 ALA A O 1 ATOM 856 C CB . ALA A 1 113 ? 49.987 32.436 42.190 1.00 6.87 ? 113 ALA A CB 1 ATOM 857 N N . LEU A 1 114 ? 47.403 30.751 42.329 1.00 6.69 ? 114 LEU A N 1 ATOM 858 C CA . LEU A 1 114 ? 46.515 29.717 41.800 1.00 6.85 ? 114 LEU A CA 1 ATOM 859 C C . LEU A 1 114 ? 45.098 30.243 41.654 1.00 6.67 ? 114 LEU A C 1 ATOM 860 O O . LEU A 1 114 ? 44.374 29.857 40.731 1.00 7.37 ? 114 LEU A O 1 ATOM 861 C CB . LEU A 1 114 ? 46.565 28.479 42.665 1.00 7.50 ? 114 LEU A CB 1 ATOM 862 C CG . LEU A 1 114 ? 47.707 27.521 42.412 1.00 9.22 ? 114 LEU A CG 1 ATOM 863 C CD1 . LEU A 1 114 ? 47.978 26.654 43.618 1.00 11.67 ? 114 LEU A CD1 1 ATOM 864 C CD2 . LEU A 1 114 ? 47.415 26.672 41.144 1.00 9.93 ? 114 LEU A CD2 1 ATOM 865 N N . SER A 1 115 ? 44.652 31.094 42.570 1.00 6.88 ? 115 SER A N 1 ATOM 866 C CA . SER A 1 115 ? 43.309 31.616 42.529 1.00 7.16 ? 115 SER A CA 1 ATOM 867 C C . SER A 1 115 ? 43.028 32.396 41.279 1.00 6.81 ? 115 SER A C 1 ATOM 868 O O . SER A 1 115 ? 41.860 32.594 40.914 1.00 8.17 ? 115 SER A O 1 ATOM 869 C CB . SER A 1 115 ? 42.986 32.462 43.769 1.00 8.34 ? 115 SER A CB 1 ATOM 870 O OG . SER A 1 115 ? 43.446 33.798 43.686 1.00 8.81 ? 115 SER A OG 1 ATOM 871 N N . ASN A 1 116 ? 44.069 32.857 40.587 1.00 6.91 ? 116 ASN A N 1 ATOM 872 C CA . ASN A 1 116 ? 43.880 33.588 39.343 1.00 7.10 ? 116 ASN A CA 1 ATOM 873 C C . ASN A 1 116 ? 43.681 32.674 38.113 1.00 6.99 ? 116 ASN A C 1 ATOM 874 O O . ASN A 1 116 ? 43.491 33.228 37.011 1.00 7.60 ? 116 ASN A O 1 ATOM 875 C CB . ASN A 1 116 ? 45.115 34.472 39.091 1.00 6.77 ? 116 ASN A CB 1 ATOM 876 C CG . ASN A 1 116 ? 45.284 35.542 40.106 1.00 7.01 ? 116 ASN A CG 1 ATOM 877 O OD1 . ASN A 1 116 ? 44.335 35.976 40.764 1.00 8.30 ? 116 ASN A OD1 1 ATOM 878 N ND2 . ASN A 1 116 ? 46.512 36.024 40.252 1.00 7.71 ? 116 ASN A ND2 1 ATOM 879 N N . CYS A 1 117 ? 43.791 31.367 38.305 1.00 6.94 ? 117 CYS A N 1 ATOM 880 C CA . CYS A 1 117 ? 43.724 30.418 37.190 1.00 6.76 ? 117 CYS A CA 1 ATOM 881 C C . CYS A 1 117 ? 42.332 29.785 37.107 1.00 6.62 ? 117 CYS A C 1 ATOM 882 O O . CYS A 1 117 ? 41.996 29.041 38.026 1.00 7.19 ? 117 CYS A O 1 ATOM 883 C CB . CYS A 1 117 ? 44.788 29.335 37.417 1.00 6.54 ? 117 CYS A CB 1 ATOM 884 S SG . CYS A 1 117 ? 46.468 29.908 37.689 1.00 7.31 ? 117 CYS A SG 1 ATOM 885 N N . PRO A 1 118 ? 41.540 30.123 36.100 1.00 6.93 ? 118 PRO A N 1 ATOM 886 C CA . PRO A 1 118 ? 40.168 29.587 36.035 1.00 6.91 ? 118 PRO A CA 1 ATOM 887 C C . PRO A 1 118 ? 40.145 28.070 36.241 1.00 6.67 ? 118 PRO A C 1 ATOM 888 O O . PRO A 1 118 ? 40.859 27.351 35.558 1.00 6.88 ? 118 PRO A O 1 ATOM 889 C CB . PRO A 1 118 ? 39.697 30.003 34.659 1.00 7.53 ? 118 PRO A CB 1 ATOM 890 C CG . PRO A 1 118 ? 40.411 31.317 34.434 1.00 8.37 ? 118 PRO A CG 1 ATOM 891 C CD . PRO A 1 118 ? 41.804 31.074 34.988 1.00 7.20 ? 118 PRO A CD 1 ATOM 892 N N . GLY A 1 119 ? 39.290 27.659 37.169 1.00 6.95 ? 119 GLY A N 1 ATOM 893 C CA . GLY A 1 119 ? 39.186 26.249 37.524 1.00 7.43 ? 119 GLY A CA 1 ATOM 894 C C . GLY A 1 119 ? 39.941 25.802 38.711 1.00 7.02 ? 119 GLY A C 1 ATOM 895 O O . GLY A 1 119 ? 39.677 24.706 39.242 1.00 7.83 ? 119 GLY A O 1 ATOM 896 N N . ALA A 1 120 ? 40.888 26.584 39.189 1.00 6.97 ? 120 ALA A N 1 ATOM 897 C CA . ALA A 1 120 ? 41.726 26.117 40.322 1.00 6.84 ? 120 ALA A CA 1 ATOM 898 C C . ALA A 1 120 ? 40.860 26.067 41.603 1.00 6.81 ? 120 ALA A C 1 ATOM 899 O O . ALA A 1 120 ? 39.918 26.835 41.776 1.00 8.24 ? 120 ALA A O 1 ATOM 900 C CB . ALA A 1 120 ? 42.874 27.079 40.534 1.00 8.99 ? 120 ALA A CB 1 ATOM 901 N N . PRO A 1 121 ? 41.250 25.205 42.511 1.00 6.65 ? 121 PRO A N 1 ATOM 902 C CA . PRO A 1 121 ? 40.627 25.206 43.857 1.00 6.98 ? 121 PRO A CA 1 ATOM 903 C C . PRO A 1 121 ? 41.124 26.410 44.659 1.00 6.63 ? 121 PRO A C 1 ATOM 904 O O . PRO A 1 121 ? 42.149 27.006 44.374 1.00 7.95 ? 121 PRO A O 1 ATOM 905 C CB . PRO A 1 121 ? 41.067 23.893 44.437 1.00 7.75 ? 121 PRO A CB 1 ATOM 906 C CG . PRO A 1 121 ? 42.438 23.635 43.830 1.00 8.07 ? 121 PRO A CG 1 ATOM 907 C CD . PRO A 1 121 ? 42.311 24.194 42.400 1.00 7.23 ? 121 PRO A CD 1 ATOM 908 N N . ARG A 1 122 ? 40.375 26.660 45.718 1.00 7.12 ? 122 ARG A N 1 ATOM 909 C CA . ARG A 1 122 ? 40.733 27.639 46.769 1.00 7.22 ? 122 ARG A CA 1 ATOM 910 C C . ARG A 1 122 ? 41.531 26.877 47.808 1.00 6.99 ? 122 ARG A C 1 ATOM 911 O O . ARG A 1 122 ? 40.952 26.096 48.572 1.00 7.81 ? 122 ARG A O 1 ATOM 912 C CB . ARG A 1 122 ? 39.475 28.262 47.349 1.00 7.99 ? 122 ARG A CB 1 ATOM 913 C CG . ARG A 1 122 ? 39.719 29.511 48.168 1.00 7.98 ? 122 ARG A CG 1 ATOM 914 C CD . ARG A 1 122 ? 38.415 30.001 48.744 1.00 9.68 ? 122 ARG A CD 1 ATOM 915 N NE . ARG A 1 122 ? 38.634 31.204 49.540 1.00 9.29 ? 122 ARG A NE 1 ATOM 916 C CZ . ARG A 1 122 ? 37.767 31.694 50.397 1.00 11.46 ? 122 ARG A CZ 1 ATOM 917 N NH1 . ARG A 1 122 ? 36.601 31.082 50.553 1.00 15.04 ? 122 ARG A NH1 1 ATOM 918 N NH2 . ARG A 1 122 ? 38.072 32.738 51.108 1.00 12.16 ? 122 ARG A NH2 1 ATOM 919 N N . LEU A 1 123 ? 42.864 26.964 47.775 1.00 6.99 ? 123 LEU A N 1 ATOM 920 C CA . LEU A 1 123 ? 43.672 26.098 48.618 1.00 6.85 ? 123 LEU A CA 1 ATOM 921 C C . LEU A 1 123 ? 43.350 26.309 50.100 1.00 7.12 ? 123 LEU A C 1 ATOM 922 O O . LEU A 1 123 ? 43.215 27.452 50.555 1.00 7.90 ? 123 LEU A O 1 ATOM 923 C CB . LEU A 1 123 ? 45.157 26.336 48.383 1.00 7.30 ? 123 LEU A CB 1 ATOM 924 C CG . LEU A 1 123 ? 45.685 25.950 47.007 1.00 7.67 ? 123 LEU A CG 1 ATOM 925 C CD1 . LEU A 1 123 ? 47.224 26.031 47.058 1.00 9.55 ? 123 LEU A CD1 1 ATOM 926 C CD2 . LEU A 1 123 ? 45.226 24.606 46.541 1.00 7.88 ? 123 LEU A CD2 1 ATOM 927 N N . GLU A 1 124 ? 43.460 25.225 50.877 1.00 7.01 ? 124 GLU A N 1 ATOM 928 C CA . GLU A 1 124 ? 43.614 25.410 52.315 1.00 7.49 ? 124 GLU A CA 1 ATOM 929 C C . GLU A 1 124 ? 44.863 26.228 52.570 1.00 6.93 ? 124 GLU A C 1 ATOM 930 O O . GLU A 1 124 ? 45.903 26.033 51.919 1.00 7.83 ? 124 GLU A O 1 ATOM 931 C CB . GLU A 1 124 ? 43.775 24.036 52.998 1.00 7.80 ? 124 GLU A CB 1 ATOM 932 C CG . GLU A 1 124 ? 43.901 24.173 54.496 1.00 8.43 ? 124 GLU A CG 1 ATOM 933 C CD . GLU A 1 124 ? 44.065 22.821 55.144 1.00 9.52 ? 124 GLU A CD 1 ATOM 934 O OE1 . GLU A 1 124 ? 43.130 22.341 55.837 1.00 13.93 ? 124 GLU A OE1 1 ATOM 935 O OE2 . GLU A 1 124 ? 45.147 22.191 54.970 1.00 9.32 ? 124 GLU A OE2 1 ATOM 936 N N . PHE A 1 125 ? 44.784 27.142 53.531 1.00 7.55 ? 125 PHE A N 1 ATOM 937 C CA . PHE A 1 125 ? 45.958 27.913 53.951 1.00 6.79 ? 125 PHE A CA 1 ATOM 938 C C . PHE A 1 125 ? 46.008 27.937 55.475 1.00 6.94 ? 125 PHE A C 1 ATOM 939 O O . PHE A 1 125 ? 45.187 28.614 56.120 1.00 8.44 ? 125 PHE A O 1 ATOM 940 C CB . PHE A 1 125 ? 45.981 29.306 53.342 1.00 7.78 ? 125 PHE A CB 1 ATOM 941 C CG . PHE A 1 125 ? 47.184 30.092 53.865 1.00 7.30 ? 125 PHE A CG 1 ATOM 942 C CD1 . PHE A 1 125 ? 48.487 29.629 53.567 1.00 8.10 ? 125 PHE A CD1 1 ATOM 943 C CD2 . PHE A 1 125 ? 47.016 31.170 54.707 1.00 7.42 ? 125 PHE A CD2 1 ATOM 944 C CE1 . PHE A 1 125 ? 49.564 30.294 54.146 1.00 7.65 ? 125 PHE A CE1 1 ATOM 945 C CE2 . PHE A 1 125 ? 48.105 31.812 55.268 1.00 8.08 ? 125 PHE A CE2 1 ATOM 946 C CZ . PHE A 1 125 ? 49.399 31.344 55.015 1.00 8.12 ? 125 PHE A CZ 1 ATOM 947 N N . LEU A 1 126 ? 46.958 27.199 56.026 1.00 7.25 ? 126 LEU A N 1 ATOM 948 C CA . LEU A 1 126 ? 47.275 27.259 57.435 1.00 7.21 ? 126 LEU A CA 1 ATOM 949 C C . LEU A 1 126 ? 48.466 28.170 57.630 1.00 7.27 ? 126 LEU A C 1 ATOM 950 O O . LEU A 1 126 ? 49.340 28.263 56.734 1.00 8.38 ? 126 LEU A O 1 ATOM 951 C CB . LEU A 1 126 ? 47.584 25.873 57.990 1.00 7.88 ? 126 LEU A CB 1 ATOM 952 C CG . LEU A 1 126 ? 46.573 24.770 57.638 1.00 8.28 ? 126 LEU A CG 1 ATOM 953 C CD1 . LEU A 1 126 ? 46.997 23.492 58.361 1.00 9.55 ? 126 LEU A CD1 1 ATOM 954 C CD2 . LEU A 1 126 ? 45.151 25.154 57.999 1.00 8.75 ? 126 LEU A CD2 1 ATOM 955 N N . ALA A 1 127 ? 48.553 28.879 58.714 1.00 7.77 ? 127 ALA A N 1 ATOM 956 C CA . ALA A 1 127 ? 49.569 29.861 59.008 1.00 7.95 ? 127 ALA A CA 1 ATOM 957 C C . ALA A 1 127 ? 50.285 29.531 60.332 1.00 7.01 ? 127 ALA A C 1 ATOM 958 O O . ALA A 1 127 ? 49.781 28.779 61.168 1.00 8.42 ? 127 ALA A O 1 ATOM 959 C CB . ALA A 1 127 ? 49.010 31.259 59.024 1.00 9.16 ? 127 ALA A CB 1 ATOM 960 N N . GLY A 1 128 ? 51.450 30.151 60.508 1.00 7.26 ? 128 GLY A N 1 ATOM 961 C CA . GLY A 1 128 ? 52.217 29.990 61.708 1.00 7.55 ? 128 GLY A CA 1 ATOM 962 C C . GLY A 1 128 ? 53.501 29.213 61.582 1.00 8.18 ? 128 GLY A C 1 ATOM 963 O O . GLY A 1 128 ? 54.121 28.856 62.583 1.00 9.33 ? 128 GLY A O 1 ATOM 964 N N . ARG A 1 129 ? 53.981 28.990 60.355 1.00 7.02 ? 129 ARG A N 1 ATOM 965 C CA . ARG A 1 129 ? 55.255 28.333 60.194 1.00 7.51 ? 129 ARG A CA 1 ATOM 966 C C . ARG A 1 129 ? 56.362 29.265 60.689 1.00 7.15 ? 129 ARG A C 1 ATOM 967 O O . ARG A 1 129 ? 56.324 30.470 60.393 1.00 7.39 ? 129 ARG A O 1 ATOM 968 C CB . ARG A 1 129 ? 55.507 28.034 58.711 1.00 6.80 ? 129 ARG A CB 1 ATOM 969 C CG . ARG A 1 129 ? 54.488 27.072 58.095 1.00 6.77 ? 129 ARG A CG 1 ATOM 970 C CD . ARG A 1 129 ? 54.611 27.085 56.567 1.00 6.88 ? 129 ARG A CD 1 ATOM 971 N NE . ARG A 1 129 ? 53.515 26.377 55.887 1.00 7.11 ? 129 ARG A NE 1 ATOM 972 C CZ . ARG A 1 129 ? 52.275 26.867 55.777 1.00 6.81 ? 129 ARG A CZ 1 ATOM 973 N NH1 . ARG A 1 129 ? 51.989 28.085 56.201 1.00 7.53 ? 129 ARG A NH1 1 ATOM 974 N NH2 . ARG A 1 129 ? 51.337 26.085 55.272 1.00 8.09 ? 129 ARG A NH2 1 ATOM 975 N N . PRO A 1 130 ? 57.366 28.774 61.420 1.00 7.74 ? 130 PRO A N 1 ATOM 976 C CA . PRO A 1 130 ? 58.438 29.653 61.896 1.00 8.63 ? 130 PRO A CA 1 ATOM 977 C C . PRO A 1 130 ? 59.200 30.333 60.786 1.00 7.59 ? 130 PRO A C 1 ATOM 978 O O . PRO A 1 130 ? 59.248 29.879 59.644 1.00 8.36 ? 130 PRO A O 1 ATOM 979 C CB . PRO A 1 130 ? 59.365 28.733 62.701 1.00 11.63 ? 130 PRO A CB 1 ATOM 980 C CG . PRO A 1 130 ? 58.465 27.609 63.118 1.00 15.89 ? 130 PRO A CG 1 ATOM 981 C CD . PRO A 1 130 ? 57.451 27.435 62.014 1.00 9.50 ? 130 PRO A CD 1 ATOM 982 N N . ASN A 1 131 ? 59.894 31.406 61.164 1.00 8.27 ? 131 ASN A N 1 ATOM 983 C CA . ASN A 1 131 ? 60.727 32.209 60.265 1.00 8.51 ? 131 ASN A CA 1 ATOM 984 C C . ASN A 1 131 ? 62.218 31.862 60.359 1.00 9.14 ? 131 ASN A C 1 ATOM 985 O O . ASN A 1 131 ? 63.057 32.700 59.954 1.00 11.54 ? 131 ASN A O 1 ATOM 986 C CB . ASN A 1 131 ? 60.527 33.684 60.538 1.00 8.67 ? 131 ASN A CB 1 ATOM 987 C CG . ASN A 1 131 ? 60.938 34.568 59.363 1.00 9.10 ? 131 ASN A CG 1 ATOM 988 O OD1 . ASN A 1 131 ? 60.572 34.301 58.221 1.00 8.69 ? 131 ASN A OD1 1 ATOM 989 N ND2 . ASN A 1 131 ? 61.660 35.631 59.674 1.00 10.39 ? 131 ASN A ND2 1 ATOM 990 N N . LYS A 1 132 ? 62.568 30.700 60.900 1.00 10.09 ? 132 LYS A N 1 ATOM 991 C CA . LYS A 1 132 ? 63.947 30.275 61.004 1.00 10.60 ? 132 LYS A CA 1 ATOM 992 C C . LYS A 1 132 ? 64.047 28.845 60.491 1.00 9.06 ? 132 LYS A C 1 ATOM 993 O O . LYS A 1 132 ? 63.203 28.036 60.826 1.00 9.85 ? 132 LYS A O 1 ATOM 994 C CB A LYS A 1 132 ? 64.503 30.344 62.448 0.52 16.25 ? 132 LYS A CB 1 ATOM 995 C CB B LYS A 1 132 ? 64.428 30.411 62.438 0.52 16.08 ? 132 LYS A CB 1 ATOM 996 C CG A LYS A 1 132 ? 64.619 31.772 62.968 0.52 14.26 ? 132 LYS A CG 1 ATOM 997 C CG B LYS A 1 132 ? 65.450 29.407 62.884 0.52 19.24 ? 132 LYS A CG 1 ATOM 998 C CD A LYS A 1 132 ? 65.071 31.996 64.394 0.52 25.79 ? 132 LYS A CD 1 ATOM 999 C CD B LYS A 1 132 ? 65.855 29.670 64.330 0.52 27.88 ? 132 LYS A CD 1 ATOM 1000 C CE A LYS A 1 132 ? 65.468 33.442 64.678 0.52 34.57 ? 132 LYS A CE 1 ATOM 1001 C CE B LYS A 1 132 ? 67.225 29.038 64.548 0.52 33.30 ? 132 LYS A CE 1 ATOM 1002 N NZ A LYS A 1 132 ? 65.474 33.830 66.114 0.52 51.34 ? 132 LYS A NZ 1 ATOM 1003 N NZ B LYS A 1 132 ? 67.216 27.658 63.993 0.52 37.30 ? 132 LYS A NZ 1 ATOM 1004 N N . THR A 1 133 ? 65.089 28.591 59.724 1.00 8.44 ? 133 THR A N 1 ATOM 1005 C CA . THR A 1 133 ? 65.322 27.262 59.182 1.00 7.87 ? 133 THR A CA 1 ATOM 1006 C C . THR A 1 133 ? 66.777 27.129 58.800 1.00 7.48 ? 133 THR A C 1 ATOM 1007 O O . THR A 1 133 ? 67.627 27.921 59.224 1.00 10.05 ? 133 THR A O 1 ATOM 1008 C CB . THR A 1 133 ? 64.294 26.958 58.079 1.00 7.84 ? 133 THR A CB 1 ATOM 1009 O OG1 . THR A 1 133 ? 64.371 25.514 57.873 1.00 8.02 ? 133 THR A OG1 1 ATOM 1010 C CG2 . THR A 1 133 ? 64.598 27.714 56.776 1.00 8.01 ? 133 THR A CG2 1 ATOM 1011 N N . ILE A 1 134 ? 67.067 26.129 57.990 1.00 7.72 ? 134 ILE A N 1 ATOM 1012 C CA . ILE A 1 134 ? 68.367 25.783 57.416 1.00 7.82 ? 134 ILE A CA 1 ATOM 1013 C C . ILE A 1 134 ? 68.190 25.745 55.893 1.00 7.44 ? 134 ILE A C 1 ATOM 1014 O O . ILE A 1 134 ? 67.087 25.524 55.378 1.00 7.55 ? 134 ILE A O 1 ATOM 1015 C CB . ILE A 1 134 ? 68.937 24.457 57.957 1.00 9.23 ? 134 ILE A CB 1 ATOM 1016 C CG1 . ILE A 1 134 ? 67.957 23.301 57.651 1.00 12.24 ? 134 ILE A CG1 1 ATOM 1017 C CG2 . ILE A 1 134 ? 69.290 24.592 59.412 1.00 12.91 ? 134 ILE A CG2 1 ATOM 1018 C CD1 . ILE A 1 134 ? 68.549 21.971 57.830 1.00 18.96 ? 134 ILE A CD1 1 ATOM 1019 N N . ALA A 1 135 ? 69.304 25.851 55.184 1.00 7.69 ? 135 ALA A N 1 ATOM 1020 C CA . ALA A 1 135 ? 69.303 25.578 53.751 1.00 7.61 ? 135 ALA A CA 1 ATOM 1021 C C . ALA A 1 135 ? 69.181 24.089 53.504 1.00 6.93 ? 135 ALA A C 1 ATOM 1022 O O . ALA A 1 135 ? 69.817 23.273 54.166 1.00 7.97 ? 135 ALA A O 1 ATOM 1023 C CB . ALA A 1 135 ? 70.549 26.124 53.096 1.00 8.64 ? 135 ALA A CB 1 ATOM 1024 N N . ALA A 1 136 ? 68.361 23.683 52.532 1.00 6.69 ? 136 ALA A N 1 ATOM 1025 C CA . ALA A 1 136 ? 68.271 22.270 52.191 1.00 7.01 ? 136 ALA A CA 1 ATOM 1026 C C . ALA A 1 136 ? 69.511 21.811 51.432 1.00 6.98 ? 136 ALA A C 1 ATOM 1027 O O . ALA A 1 136 ? 70.260 22.619 50.887 1.00 7.78 ? 136 ALA A O 1 ATOM 1028 C CB . ALA A 1 136 ? 67.007 21.980 51.384 1.00 7.50 ? 136 ALA A CB 1 ATOM 1029 N N . VAL A 1 137 ? 69.653 20.500 51.364 1.00 7.09 ? 137 VAL A N 1 ATOM 1030 C CA . VAL A 1 137 ? 70.682 19.853 50.554 1.00 7.70 ? 137 VAL A CA 1 ATOM 1031 C C . VAL A 1 137 ? 70.195 19.611 49.133 1.00 6.87 ? 137 VAL A C 1 ATOM 1032 O O . VAL A 1 137 ? 69.003 19.642 48.821 1.00 8.61 ? 137 VAL A O 1 ATOM 1033 C CB . VAL A 1 137 ? 71.203 18.574 51.202 1.00 8.89 ? 137 VAL A CB 1 ATOM 1034 C CG1 . VAL A 1 137 ? 71.681 18.920 52.642 1.00 10.48 ? 137 VAL A CG1 1 ATOM 1035 C CG2 . VAL A 1 137 ? 70.150 17.472 51.178 1.00 9.00 ? 137 VAL A CG2 1 ATOM 1036 N N . ASP A 1 138 ? 71.151 19.376 48.238 1.00 7.51 ? 138 ASP A N 1 ATOM 1037 C CA . ASP A 1 138 ? 70.854 19.128 46.836 1.00 7.22 ? 138 ASP A CA 1 ATOM 1038 C C . ASP A 1 138 ? 70.244 17.726 46.701 1.00 7.82 ? 138 ASP A C 1 ATOM 1039 O O . ASP A 1 138 ? 70.325 16.869 47.605 1.00 10.34 ? 138 ASP A O 1 ATOM 1040 C CB . ASP A 1 138 ? 72.119 19.321 46.009 1.00 8.34 ? 138 ASP A CB 1 ATOM 1041 C CG . ASP A 1 138 ? 71.967 19.622 44.559 1.00 7.93 ? 138 ASP A CG 1 ATOM 1042 O OD1 . ASP A 1 138 ? 72.988 19.930 43.913 1.00 9.15 ? 138 ASP A OD1 1 ATOM 1043 O OD2 . ASP A 1 138 ? 70.816 19.541 44.007 1.00 8.42 ? 138 ASP A OD2 1 ATOM 1044 N N . GLY A 1 139 ? 69.597 17.471 45.582 1.00 7.50 ? 139 GLY A N 1 ATOM 1045 C CA . GLY A 1 139 ? 69.077 16.150 45.246 1.00 7.95 ? 139 GLY A CA 1 ATOM 1046 C C . GLY A 1 139 ? 67.644 15.873 45.672 1.00 7.77 ? 139 GLY A C 1 ATOM 1047 O O . GLY A 1 139 ? 67.174 14.757 45.396 1.00 9.32 ? 139 GLY A O 1 ATOM 1048 N N . LEU A 1 140 ? 66.959 16.819 46.272 1.00 6.64 ? 140 LEU A N 1 ATOM 1049 C CA . LEU A 1 140 ? 65.604 16.610 46.792 1.00 6.87 ? 140 LEU A CA 1 ATOM 1050 C C . LEU A 1 140 ? 64.506 16.994 45.832 1.00 6.88 ? 140 LEU A C 1 ATOM 1051 O O . LEU A 1 140 ? 63.331 16.751 46.110 1.00 7.47 ? 140 LEU A O 1 ATOM 1052 C CB . LEU A 1 140 ? 65.447 17.335 48.143 1.00 6.95 ? 140 LEU A CB 1 ATOM 1053 C CG . LEU A 1 140 ? 66.433 16.890 49.218 1.00 7.51 ? 140 LEU A CG 1 ATOM 1054 C CD1 . LEU A 1 140 ? 66.279 17.774 50.435 1.00 8.78 ? 140 LEU A CD1 1 ATOM 1055 C CD2 . LEU A 1 140 ? 66.266 15.434 49.565 1.00 12.65 ? 140 LEU A CD2 1 ATOM 1056 N N . ILE A 1 141 ? 64.883 17.681 44.740 1.00 6.92 ? 141 ILE A N 1 ATOM 1057 C CA . ILE A 1 141 ? 63.918 18.184 43.783 1.00 6.57 ? 141 ILE A CA 1 ATOM 1058 C C . ILE A 1 141 ? 63.809 17.230 42.611 1.00 6.72 ? 141 ILE A C 1 ATOM 1059 O O . ILE A 1 141 ? 64.824 16.940 41.932 1.00 7.32 ? 141 ILE A O 1 ATOM 1060 C CB . ILE A 1 141 ? 64.356 19.575 43.259 1.00 7.05 ? 141 ILE A CB 1 ATOM 1061 C CG1 . ILE A 1 141 ? 64.578 20.585 44.369 1.00 7.08 ? 141 ILE A CG1 1 ATOM 1062 C CG2 . ILE A 1 141 ? 63.402 20.086 42.218 1.00 8.60 ? 141 ILE A CG2 1 ATOM 1063 C CD1 . ILE A 1 141 ? 63.419 20.884 45.266 1.00 9.43 ? 141 ILE A CD1 1 ATOM 1064 N N . PRO A 1 142 ? 62.622 16.700 42.282 1.00 7.55 ? 142 PRO A N 1 ATOM 1065 C CA . PRO A 1 142 ? 62.470 15.877 41.089 1.00 7.55 ? 142 PRO A CA 1 ATOM 1066 C C . PRO A 1 142 ? 62.865 16.653 39.828 1.00 7.73 ? 142 PRO A C 1 ATOM 1067 O O . PRO A 1 142 ? 62.640 17.840 39.748 1.00 8.77 ? 142 PRO A O 1 ATOM 1068 C CB . PRO A 1 142 ? 60.962 15.566 41.047 1.00 9.80 ? 142 PRO A CB 1 ATOM 1069 C CG . PRO A 1 142 ? 60.528 15.702 42.479 1.00 10.95 ? 142 PRO A CG 1 ATOM 1070 C CD . PRO A 1 142 ? 61.349 16.844 43.063 1.00 8.00 ? 142 PRO A CD 1 ATOM 1071 N N . GLU A 1 143 ? 63.421 15.878 38.873 1.00 7.75 ? 143 GLU A N 1 ATOM 1072 C CA . GLU A 1 143 ? 63.863 16.444 37.593 1.00 8.04 ? 143 GLU A CA 1 ATOM 1073 C C . GLU A 1 143 ? 63.180 15.693 36.447 1.00 7.38 ? 143 GLU A C 1 ATOM 1074 O O . GLU A 1 143 ? 62.808 14.524 36.597 1.00 7.54 ? 143 GLU A O 1 ATOM 1075 C CB . GLU A 1 143 ? 65.374 16.350 37.457 1.00 8.30 ? 143 GLU A CB 1 ATOM 1076 C CG . GLU A 1 143 ? 66.096 17.229 38.473 1.00 9.39 ? 143 GLU A CG 1 ATOM 1077 C CD . GLU A 1 143 ? 67.590 17.293 38.215 1.00 12.04 ? 143 GLU A CD 1 ATOM 1078 O OE1 . GLU A 1 143 ? 68.306 16.469 38.818 1.00 17.48 ? 143 GLU A OE1 1 ATOM 1079 O OE2 . GLU A 1 143 ? 67.953 18.112 37.310 1.00 19.23 ? 143 GLU A OE2 1 ATOM 1080 N N . PRO A 1 144 ? 62.999 16.368 35.307 1.00 7.28 ? 144 PRO A N 1 ATOM 1081 C CA . PRO A 1 144 ? 62.174 15.808 34.254 1.00 7.42 ? 144 PRO A CA 1 ATOM 1082 C C . PRO A 1 144 ? 62.752 14.541 33.601 1.00 6.93 ? 144 PRO A C 1 ATOM 1083 O O . PRO A 1 144 ? 62.016 13.811 32.945 1.00 8.03 ? 144 PRO A O 1 ATOM 1084 C CB . PRO A 1 144 ? 62.017 16.961 33.277 1.00 7.98 ? 144 PRO A CB 1 ATOM 1085 C CG . PRO A 1 144 ? 63.204 17.829 33.506 1.00 8.07 ? 144 PRO A CG 1 ATOM 1086 C CD . PRO A 1 144 ? 63.407 17.770 35.014 1.00 7.81 ? 144 PRO A CD 1 ATOM 1087 N N . GLN A 1 145 ? 64.070 14.333 33.712 1.00 7.41 ? 145 GLN A N 1 ATOM 1088 C CA . GLN A 1 145 ? 64.700 13.138 33.206 1.00 8.03 ? 145 GLN A CA 1 ATOM 1089 C C . GLN A 1 145 ? 64.546 11.936 34.137 1.00 7.63 ? 145 GLN A C 1 ATOM 1090 O O . GLN A 1 145 ? 64.964 10.828 33.787 1.00 9.16 ? 145 GLN A O 1 ATOM 1091 C CB . GLN A 1 145 ? 66.205 13.382 32.943 1.00 9.56 ? 145 GLN A CB 1 ATOM 1092 C CG . GLN A 1 145 ? 67.020 13.716 34.181 1.00 10.43 ? 145 GLN A CG 1 ATOM 1093 C CD . GLN A 1 145 ? 67.145 15.168 34.519 1.00 10.41 ? 145 GLN A CD 1 ATOM 1094 O OE1 . GLN A 1 145 ? 66.270 16.002 34.221 1.00 10.25 ? 145 GLN A OE1 1 ATOM 1095 N NE2 . GLN A 1 145 ? 68.210 15.572 35.202 1.00 13.60 ? 145 GLN A NE2 1 ATOM 1096 N N . ASP A 1 146 ? 64.003 12.131 35.332 1.00 7.69 ? 146 ASP A N 1 ATOM 1097 C CA . ASP A 1 146 ? 63.922 11.064 36.306 1.00 8.06 ? 146 ASP A CA 1 ATOM 1098 C C . ASP A 1 146 ? 62.899 10.007 35.927 1.00 7.75 ? 146 ASP A C 1 ATOM 1099 O O . ASP A 1 146 ? 61.892 10.277 35.268 1.00 9.03 ? 146 ASP A O 1 ATOM 1100 C CB . ASP A 1 146 ? 63.617 11.647 37.674 1.00 8.01 ? 146 ASP A CB 1 ATOM 1101 C CG . ASP A 1 146 ? 64.674 12.531 38.317 1.00 8.35 ? 146 ASP A CG 1 ATOM 1102 O OD1 . ASP A 1 146 ? 64.354 13.171 39.346 1.00 8.85 ? 146 ASP A OD1 1 ATOM 1103 O OD2 . ASP A 1 146 ? 65.814 12.550 37.778 1.00 9.65 ? 146 ASP A OD2 1 ATOM 1104 N N . SER A 1 147 ? 63.177 8.792 36.359 1.00 7.83 ? 147 SER A N 1 ATOM 1105 C CA . SER A 1 147 ? 62.267 7.685 36.167 1.00 7.92 ? 147 SER A CA 1 ATOM 1106 C C . SER A 1 147 ? 61.046 7.820 37.107 1.00 7.52 ? 147 SER A C 1 ATOM 1107 O O . SER A 1 147 ? 61.110 8.499 38.128 1.00 7.75 ? 147 SER A O 1 ATOM 1108 C CB . SER A 1 147 ? 62.947 6.356 36.427 1.00 8.90 ? 147 SER A CB 1 ATOM 1109 O OG . SER A 1 147 ? 63.185 6.218 37.841 1.00 9.18 ? 147 SER A OG 1 ATOM 1110 N N . VAL A 1 148 ? 59.975 7.116 36.747 1.00 7.21 ? 148 VAL A N 1 ATOM 1111 C CA . VAL A 1 148 ? 58.812 7.067 37.630 1.00 6.81 ? 148 VAL A CA 1 ATOM 1112 C C . VAL A 1 148 ? 59.186 6.433 38.963 1.00 7.07 ? 148 VAL A C 1 ATOM 1113 O O . VAL A 1 148 ? 58.746 6.942 40.031 1.00 7.24 ? 148 VAL A O 1 ATOM 1114 C CB . VAL A 1 148 ? 57.645 6.284 36.923 1.00 7.44 ? 148 VAL A CB 1 ATOM 1115 C CG1 . VAL A 1 148 ? 56.510 6.025 37.924 1.00 7.49 ? 148 VAL A CG1 1 ATOM 1116 C CG2 . VAL A 1 148 ? 57.165 7.131 35.742 1.00 7.78 ? 148 VAL A CG2 1 ATOM 1117 N N . THR A 1 149 ? 60.003 5.368 39.003 1.00 7.20 ? 149 THR A N 1 ATOM 1118 C CA . THR A 1 149 ? 60.410 4.818 40.294 1.00 7.26 ? 149 THR A CA 1 ATOM 1119 C C . THR A 1 149 ? 61.059 5.875 41.147 1.00 7.30 ? 149 THR A C 1 ATOM 1120 O O . THR A 1 149 ? 60.750 6.039 42.337 1.00 7.46 ? 149 THR A O 1 ATOM 1121 C CB . THR A 1 149 ? 61.337 3.619 40.097 1.00 7.83 ? 149 THR A CB 1 ATOM 1122 O OG1 . THR A 1 149 ? 60.544 2.597 39.498 1.00 7.80 ? 149 THR A OG1 1 ATOM 1123 C CG2 . THR A 1 149 ? 61.928 3.157 41.400 1.00 8.79 ? 149 THR A CG2 1 ATOM 1124 N N . LYS A 1 150 ? 61.986 6.651 40.559 1.00 7.08 ? 150 LYS A N 1 ATOM 1125 C CA . LYS A 1 150 ? 62.706 7.671 41.306 1.00 7.36 ? 150 LYS A CA 1 ATOM 1126 C C . LYS A 1 150 ? 61.784 8.778 41.776 1.00 7.10 ? 150 LYS A C 1 ATOM 1127 O O . LYS A 1 150 ? 61.894 9.226 42.932 1.00 8.00 ? 150 LYS A O 1 ATOM 1128 C CB . LYS A 1 150 ? 63.843 8.204 40.434 1.00 7.98 ? 150 LYS A CB 1 ATOM 1129 C CG . LYS A 1 150 ? 64.719 9.251 41.113 1.00 8.72 ? 150 LYS A CG 1 ATOM 1130 C CD . LYS A 1 150 ? 65.905 9.666 40.288 1.00 10.37 ? 150 LYS A CD 1 ATOM 1131 C CE . LYS A 1 150 ? 66.705 10.816 40.825 1.00 12.48 ? 150 LYS A CE 1 ATOM 1132 N NZ A LYS A 1 150 ? 68.042 10.914 40.183 0.52 21.32 ? 150 LYS A NZ 1 ATOM 1133 N NZ B LYS A 1 150 ? 67.387 10.494 42.105 0.52 13.45 ? 150 LYS A NZ 1 ATOM 1134 N N . ILE A 1 151 ? 60.902 9.251 40.918 1.00 7.24 ? 151 ILE A N 1 ATOM 1135 C CA . ILE A 1 151 ? 59.935 10.288 41.278 1.00 7.24 ? 151 ILE A CA 1 ATOM 1136 C C . ILE A 1 151 ? 59.044 9.835 42.405 1.00 6.78 ? 151 ILE A C 1 ATOM 1137 O O . ILE A 1 151 ? 58.836 10.535 43.413 1.00 7.33 ? 151 ILE A O 1 ATOM 1138 C CB . ILE A 1 151 ? 59.136 10.736 40.041 1.00 7.85 ? 151 ILE A CB 1 ATOM 1139 C CG1 . ILE A 1 151 ? 60.018 11.464 39.023 1.00 8.94 ? 151 ILE A CG1 1 ATOM 1140 C CG2 . ILE A 1 151 ? 57.921 11.557 40.458 1.00 9.33 ? 151 ILE A CG2 1 ATOM 1141 C CD1 . ILE A 1 151 ? 59.378 11.584 37.642 1.00 11.35 ? 151 ILE A CD1 1 ATOM 1142 N N . LEU A 1 152 ? 58.431 8.665 42.253 1.00 7.36 ? 152 LEU A N 1 ATOM 1143 C CA . LEU A 1 152 ? 57.514 8.190 43.269 1.00 7.83 ? 152 LEU A CA 1 ATOM 1144 C C . LEU A 1 152 ? 58.254 8.028 44.606 1.00 7.38 ? 152 LEU A C 1 ATOM 1145 O O . LEU A 1 152 ? 57.689 8.370 45.661 1.00 8.26 ? 152 LEU A O 1 ATOM 1146 C CB . LEU A 1 152 ? 56.803 6.916 42.867 1.00 7.13 ? 152 LEU A CB 1 ATOM 1147 C CG . LEU A 1 152 ? 55.870 7.058 41.656 1.00 7.28 ? 152 LEU A CG 1 ATOM 1148 C CD1 . LEU A 1 152 ? 55.267 5.676 41.323 1.00 8.45 ? 152 LEU A CD1 1 ATOM 1149 C CD2 . LEU A 1 152 ? 54.795 8.097 41.918 1.00 8.76 ? 152 LEU A CD2 1 ATOM 1150 N N . GLN A 1 153 ? 59.470 7.502 44.571 1.00 7.47 ? 153 GLN A N 1 ATOM 1151 C CA . GLN A 1 153 ? 60.228 7.339 45.816 1.00 7.92 ? 153 GLN A CA 1 ATOM 1152 C C . GLN A 1 153 ? 60.551 8.684 46.430 1.00 7.15 ? 153 GLN A C 1 ATOM 1153 O O . GLN A 1 153 ? 60.521 8.789 47.671 1.00 8.08 ? 153 GLN A O 1 ATOM 1154 C CB . GLN A 1 153 ? 61.494 6.507 45.559 1.00 9.20 ? 153 GLN A CB 1 ATOM 1155 C CG . GLN A 1 153 ? 62.149 6.117 46.891 1.00 16.22 ? 153 GLN A CG 1 ATOM 1156 C CD . GLN A 1 153 ? 63.032 7.047 47.631 1.00 16.01 ? 153 GLN A CD 1 ATOM 1157 O OE1 . GLN A 1 153 ? 63.433 8.051 47.029 1.00 17.13 ? 153 GLN A OE1 1 ATOM 1158 N NE2 . GLN A 1 153 ? 63.139 6.822 48.906 1.00 20.44 ? 153 GLN A NE2 1 ATOM 1159 N N . ARG A 1 154 ? 60.871 9.700 45.652 1.00 7.58 ? 154 ARG A N 1 ATOM 1160 C CA . ARG A 1 154 ? 61.190 10.990 46.172 1.00 7.14 ? 154 ARG A CA 1 ATOM 1161 C C . ARG A 1 154 ? 60.007 11.569 46.930 1.00 7.20 ? 154 ARG A C 1 ATOM 1162 O O . ARG A 1 154 ? 60.117 12.111 48.041 1.00 7.48 ? 154 ARG A O 1 ATOM 1163 C CB . ARG A 1 154 ? 61.651 11.914 45.051 1.00 7.31 ? 154 ARG A CB 1 ATOM 1164 C CG . ARG A 1 154 ? 62.068 13.294 45.482 1.00 7.34 ? 154 ARG A CG 1 ATOM 1165 C CD . ARG A 1 154 ? 63.413 13.374 46.200 1.00 8.24 ? 154 ARG A CD 1 ATOM 1166 N NE . ARG A 1 154 ? 63.340 13.080 47.644 1.00 7.90 ? 154 ARG A NE 1 ATOM 1167 C CZ . ARG A 1 154 ? 62.859 13.887 48.591 1.00 7.17 ? 154 ARG A CZ 1 ATOM 1168 N NH1 . ARG A 1 154 ? 62.467 15.094 48.284 1.00 7.25 ? 154 ARG A NH1 1 ATOM 1169 N NH2 . ARG A 1 154 ? 62.814 13.451 49.818 1.00 7.65 ? 154 ARG A NH2 1 ATOM 1170 N N . PHE A 1 155 ? 58.814 11.476 46.300 1.00 7.03 ? 155 PHE A N 1 ATOM 1171 C CA . PHE A 1 155 ? 57.609 11.959 46.972 1.00 7.44 ? 155 PHE A CA 1 ATOM 1172 C C . PHE A 1 155 ? 57.229 11.112 48.199 1.00 7.12 ? 155 PHE A C 1 ATOM 1173 O O . PHE A 1 155 ? 56.764 11.684 49.189 1.00 7.94 ? 155 PHE A O 1 ATOM 1174 C CB . PHE A 1 155 ? 56.461 12.014 45.959 1.00 7.88 ? 155 PHE A CB 1 ATOM 1175 C CG . PHE A 1 155 ? 56.441 13.260 45.083 1.00 7.11 ? 155 PHE A CG 1 ATOM 1176 C CD1 . PHE A 1 155 ? 55.704 14.384 45.462 1.00 8.23 ? 155 PHE A CD1 1 ATOM 1177 C CD2 . PHE A 1 155 ? 57.102 13.304 43.862 1.00 6.88 ? 155 PHE A CD2 1 ATOM 1178 C CE1 . PHE A 1 155 ? 55.636 15.479 44.636 1.00 8.90 ? 155 PHE A CE1 1 ATOM 1179 C CE2 . PHE A 1 155 ? 57.016 14.402 43.041 1.00 7.31 ? 155 PHE A CE2 1 ATOM 1180 C CZ . PHE A 1 155 ? 56.287 15.482 43.407 1.00 8.41 ? 155 PHE A CZ 1 ATOM 1181 N N . GLU A 1 156 ? 57.430 9.810 48.157 1.00 7.83 ? 156 GLU A N 1 ATOM 1182 C CA . GLU A 1 156 ? 57.186 8.994 49.344 1.00 8.25 ? 156 GLU A CA 1 ATOM 1183 C C . GLU A 1 156 ? 58.118 9.407 50.475 1.00 8.21 ? 156 GLU A C 1 ATOM 1184 O O . GLU A 1 156 ? 57.705 9.550 51.620 1.00 9.27 ? 156 GLU A O 1 ATOM 1185 C CB . GLU A 1 156 ? 57.382 7.501 48.966 1.00 9.61 ? 156 GLU A CB 1 ATOM 1186 C CG . GLU A 1 156 ? 57.247 6.546 50.160 1.00 13.42 ? 156 GLU A CG 1 ATOM 1187 C CD . GLU A 1 156 ? 57.454 5.091 49.751 1.00 21.52 ? 156 GLU A CD 1 ATOM 1188 O OE1 . GLU A 1 156 ? 57.179 4.273 50.635 1.00 29.19 ? 156 GLU A OE1 1 ATOM 1189 O OE2 . GLU A 1 156 ? 57.862 4.708 48.612 1.00 29.56 ? 156 GLU A OE2 1 ATOM 1190 N N . ASP A 1 157 ? 59.395 9.590 50.152 1.00 8.36 ? 157 ASP A N 1 ATOM 1191 C CA . ASP A 1 157 ? 60.367 9.980 51.168 1.00 8.36 ? 157 ASP A CA 1 ATOM 1192 C C . ASP A 1 157 ? 60.131 11.402 51.679 1.00 7.73 ? 157 ASP A C 1 ATOM 1193 O O . ASP A 1 157 ? 60.442 11.693 52.847 1.00 8.90 ? 157 ASP A O 1 ATOM 1194 C CB . ASP A 1 157 ? 61.766 9.857 50.562 1.00 8.81 ? 157 ASP A CB 1 ATOM 1195 C CG . ASP A 1 157 ? 62.842 10.222 51.563 1.00 9.14 ? 157 ASP A CG 1 ATOM 1196 O OD1 . ASP A 1 157 ? 63.626 11.131 51.269 1.00 9.80 ? 157 ASP A OD1 1 ATOM 1197 O OD2 . ASP A 1 157 ? 62.923 9.554 52.617 1.00 11.46 ? 157 ASP A OD2 1 ATOM 1198 N N . ALA A 1 158 ? 59.643 12.305 50.836 1.00 7.64 ? 158 ALA A N 1 ATOM 1199 C CA . ALA A 1 158 ? 59.433 13.690 51.303 1.00 7.60 ? 158 ALA A CA 1 ATOM 1200 C C . ALA A 1 158 ? 58.282 13.763 52.280 1.00 7.81 ? 158 ALA A C 1 ATOM 1201 O O . ALA A 1 158 ? 58.356 14.552 53.245 1.00 9.40 ? 158 ALA A O 1 ATOM 1202 C CB . ALA A 1 158 ? 59.164 14.588 50.083 1.00 7.81 ? 158 ALA A CB 1 ATOM 1203 N N . GLY A 1 159 ? 57.189 13.055 52.009 1.00 9.37 ? 159 GLY A N 1 ATOM 1204 C CA . GLY A 1 159 ? 55.981 13.278 52.787 1.00 12.44 ? 159 GLY A CA 1 ATOM 1205 C C . GLY A 1 159 ? 54.982 12.158 52.755 1.00 9.18 ? 159 GLY A C 1 ATOM 1206 O O . GLY A 1 159 ? 53.813 12.363 53.095 1.00 10.00 ? 159 GLY A O 1 ATOM 1207 N N . GLY A 1 160 ? 55.372 10.971 52.356 1.00 8.31 ? 160 GLY A N 1 ATOM 1208 C CA . GLY A 1 160 ? 54.403 9.857 52.290 1.00 9.15 ? 160 GLY A CA 1 ATOM 1209 C C . GLY A 1 160 ? 53.392 10.021 51.206 1.00 8.47 ? 160 GLY A C 1 ATOM 1210 O O . GLY A 1 160 ? 52.301 9.482 51.307 1.00 11.21 ? 160 GLY A O 1 ATOM 1211 N N . PHE A 1 161 ? 53.657 10.800 50.165 1.00 7.68 ? 161 PHE A N 1 ATOM 1212 C CA . PHE A 1 161 ? 52.694 10.986 49.112 1.00 7.92 ? 161 PHE A CA 1 ATOM 1213 C C . PHE A 1 161 ? 52.485 9.678 48.366 1.00 7.76 ? 161 PHE A C 1 ATOM 1214 O O . PHE A 1 161 ? 53.457 8.953 48.040 1.00 9.35 ? 161 PHE A O 1 ATOM 1215 C CB . PHE A 1 161 ? 53.138 12.029 48.090 1.00 7.55 ? 161 PHE A CB 1 ATOM 1216 C CG . PHE A 1 161 ? 53.196 13.444 48.660 1.00 7.97 ? 161 PHE A CG 1 ATOM 1217 C CD1 . PHE A 1 161 ? 54.377 13.975 49.117 1.00 9.80 ? 161 PHE A CD1 1 ATOM 1218 C CD2 . PHE A 1 161 ? 52.070 14.245 48.718 1.00 9.45 ? 161 PHE A CD2 1 ATOM 1219 C CE1 . PHE A 1 161 ? 54.426 15.226 49.664 1.00 11.94 ? 161 PHE A CE1 1 ATOM 1220 C CE2 . PHE A 1 161 ? 52.093 15.498 49.311 1.00 10.46 ? 161 PHE A CE2 1 ATOM 1221 C CZ . PHE A 1 161 ? 53.282 15.986 49.749 1.00 12.19 ? 161 PHE A CZ 1 ATOM 1222 N N . THR A 1 162 ? 51.238 9.384 48.049 1.00 7.67 ? 162 THR A N 1 ATOM 1223 C CA . THR A 1 162 ? 50.864 8.270 47.224 1.00 7.60 ? 162 THR A CA 1 ATOM 1224 C C . THR A 1 162 ? 51.032 8.627 45.762 1.00 7.41 ? 162 THR A C 1 ATOM 1225 O O . THR A 1 162 ? 51.006 9.793 45.387 1.00 7.08 ? 162 THR A O 1 ATOM 1226 C CB . THR A 1 162 ? 49.429 7.819 47.512 1.00 8.82 ? 162 THR A CB 1 ATOM 1227 O OG1 . THR A 1 162 ? 48.599 8.900 47.048 1.00 8.80 ? 162 THR A OG1 1 ATOM 1228 C CG2 . THR A 1 162 ? 49.178 7.470 48.954 1.00 10.71 ? 162 THR A CG2 1 ATOM 1229 N N . PRO A 1 163 ? 51.087 7.619 44.863 1.00 7.50 ? 163 PRO A N 1 ATOM 1230 C CA . PRO A 1 163 ? 51.087 7.948 43.431 1.00 7.43 ? 163 PRO A CA 1 ATOM 1231 C C . PRO A 1 163 ? 49.906 8.783 43.006 1.00 7.02 ? 163 PRO A C 1 ATOM 1232 O O . PRO A 1 163 ? 50.027 9.671 42.162 1.00 6.89 ? 163 PRO A O 1 ATOM 1233 C CB . PRO A 1 163 ? 51.164 6.565 42.773 1.00 8.46 ? 163 PRO A CB 1 ATOM 1234 C CG . PRO A 1 163 ? 51.891 5.735 43.764 1.00 9.49 ? 163 PRO A CG 1 ATOM 1235 C CD . PRO A 1 163 ? 51.370 6.194 45.103 1.00 8.71 ? 163 PRO A CD 1 ATOM 1236 N N . PHE A 1 164 ? 48.718 8.519 43.582 1.00 7.41 ? 164 PHE A N 1 ATOM 1237 C CA . PHE A 1 164 ? 47.551 9.341 43.275 1.00 6.76 ? 164 PHE A CA 1 ATOM 1238 C C . PHE A 1 164 ? 47.824 10.818 43.630 1.00 6.59 ? 164 PHE A C 1 ATOM 1239 O O . PHE A 1 164 ? 47.508 11.710 42.840 1.00 6.44 ? 164 PHE A O 1 ATOM 1240 C CB . PHE A 1 164 ? 46.330 8.834 44.036 1.00 7.48 ? 164 PHE A CB 1 ATOM 1241 C CG . PHE A 1 164 ? 45.102 9.654 43.739 1.00 7.51 ? 164 PHE A CG 1 ATOM 1242 C CD1 . PHE A 1 164 ? 44.373 9.419 42.565 1.00 8.24 ? 164 PHE A CD1 1 ATOM 1243 C CD2 . PHE A 1 164 ? 44.638 10.630 44.586 1.00 8.18 ? 164 PHE A CD2 1 ATOM 1244 C CE1 . PHE A 1 164 ? 43.296 10.182 42.233 1.00 9.40 ? 164 PHE A CE1 1 ATOM 1245 C CE2 . PHE A 1 164 ? 43.529 11.394 44.261 1.00 9.61 ? 164 PHE A CE2 1 ATOM 1246 C CZ . PHE A 1 164 ? 42.848 11.131 43.099 1.00 8.77 ? 164 PHE A CZ 1 ATOM 1247 N N . GLU A 1 165 ? 48.394 11.037 44.801 1.00 6.20 ? 165 GLU A N 1 ATOM 1248 C CA . GLU A 1 165 ? 48.721 12.431 45.196 1.00 6.94 ? 165 GLU A CA 1 ATOM 1249 C C . GLU A 1 165 ? 49.769 13.069 44.314 1.00 6.77 ? 165 GLU A C 1 ATOM 1250 O O . GLU A 1 165 ? 49.665 14.257 43.994 1.00 6.68 ? 165 GLU A O 1 ATOM 1251 C CB . GLU A 1 165 ? 49.150 12.487 46.662 1.00 7.10 ? 165 GLU A CB 1 ATOM 1252 C CG . GLU A 1 165 ? 47.995 12.172 47.613 1.00 8.25 ? 165 GLU A CG 1 ATOM 1253 C CD . GLU A 1 165 ? 48.428 11.938 49.048 1.00 8.87 ? 165 GLU A CD 1 ATOM 1254 O OE1 . GLU A 1 165 ? 47.605 12.204 49.968 1.00 12.83 ? 165 GLU A OE1 1 ATOM 1255 O OE2 . GLU A 1 165 ? 49.505 11.366 49.296 1.00 9.29 ? 165 GLU A OE2 1 ATOM 1256 N N . VAL A 1 166 ? 50.759 12.293 43.872 1.00 6.40 ? 166 VAL A N 1 ATOM 1257 C CA . VAL A 1 166 ? 51.774 12.826 42.956 1.00 6.50 ? 166 VAL A CA 1 ATOM 1258 C C . VAL A 1 166 ? 51.159 13.296 41.662 1.00 6.27 ? 166 VAL A C 1 ATOM 1259 O O . VAL A 1 166 ? 51.390 14.430 41.192 1.00 6.94 ? 166 VAL A O 1 ATOM 1260 C CB . VAL A 1 166 ? 52.891 11.799 42.681 1.00 7.02 ? 166 VAL A CB 1 ATOM 1261 C CG1 . VAL A 1 166 ? 53.881 12.324 41.663 1.00 8.55 ? 166 VAL A CG1 1 ATOM 1262 C CG2 . VAL A 1 166 ? 53.592 11.390 44.002 1.00 7.67 ? 166 VAL A CG2 1 ATOM 1263 N N . VAL A 1 167 ? 50.367 12.424 41.034 1.00 6.44 ? 167 VAL A N 1 ATOM 1264 C CA . VAL A 1 167 ? 49.765 12.811 39.754 1.00 6.15 ? 167 VAL A CA 1 ATOM 1265 C C . VAL A 1 167 ? 48.783 13.961 39.927 1.00 5.83 ? 167 VAL A C 1 ATOM 1266 O O . VAL A 1 167 ? 48.689 14.885 39.134 1.00 6.49 ? 167 VAL A O 1 ATOM 1267 C CB . VAL A 1 167 ? 49.112 11.607 39.064 1.00 6.78 ? 167 VAL A CB 1 ATOM 1268 C CG1 . VAL A 1 167 ? 48.433 12.031 37.783 1.00 7.18 ? 167 VAL A CG1 1 ATOM 1269 C CG2 . VAL A 1 167 ? 50.142 10.504 38.783 1.00 8.50 ? 167 VAL A CG2 1 ATOM 1270 N N . SER A 1 168 ? 48.071 13.981 41.071 1.00 5.89 ? 168 SER A N 1 ATOM 1271 C CA . SER A 1 168 ? 47.198 15.089 41.423 1.00 6.09 ? 168 SER A CA 1 ATOM 1272 C C . SER A 1 168 ? 47.950 16.427 41.446 1.00 5.59 ? 168 SER A C 1 ATOM 1273 O O . SER A 1 168 ? 47.446 17.422 40.947 1.00 6.57 ? 168 SER A O 1 ATOM 1274 C CB . SER A 1 168 ? 46.539 14.883 42.768 1.00 6.25 ? 168 SER A CB 1 ATOM 1275 O OG . SER A 1 168 ? 45.666 13.761 42.826 1.00 6.68 ? 168 SER A OG 1 ATOM 1276 N N . LEU A 1 169 ? 49.131 16.418 42.054 1.00 6.03 ? 169 LEU A N 1 ATOM 1277 C CA . LEU A 1 169 ? 49.935 17.651 42.157 1.00 6.22 ? 169 LEU A CA 1 ATOM 1278 C C . LEU A 1 169 ? 50.355 18.127 40.758 1.00 6.24 ? 169 LEU A C 1 ATOM 1279 O O . LEU A 1 169 ? 50.524 19.350 40.565 1.00 7.20 ? 169 LEU A O 1 ATOM 1280 C CB . LEU A 1 169 ? 51.127 17.381 43.029 1.00 6.53 ? 169 LEU A CB 1 ATOM 1281 C CG . LEU A 1 169 ? 50.854 17.341 44.541 1.00 6.96 ? 169 LEU A CG 1 ATOM 1282 C CD1 . LEU A 1 169 ? 52.093 16.824 45.255 1.00 9.36 ? 169 LEU A CD1 1 ATOM 1283 C CD2 . LEU A 1 169 ? 50.417 18.685 45.065 1.00 7.89 ? 169 LEU A CD2 1 ATOM 1284 N N . LEU A 1 170 ? 50.524 17.194 39.815 1.00 6.38 ? 170 LEU A N 1 ATOM 1285 C CA . LEU A 1 170 ? 50.900 17.520 38.427 1.00 6.92 ? 170 LEU A CA 1 ATOM 1286 C C . LEU A 1 170 ? 49.766 18.172 37.685 1.00 6.87 ? 170 LEU A C 1 ATOM 1287 O O . LEU A 1 170 ? 50.010 18.646 36.552 1.00 7.15 ? 170 LEU A O 1 ATOM 1288 C CB . LEU A 1 170 ? 51.521 16.366 37.705 1.00 7.41 ? 170 LEU A CB 1 ATOM 1289 C CG . LEU A 1 170 ? 52.941 16.071 38.110 1.00 8.30 ? 170 LEU A CG 1 ATOM 1290 C CD1 . LEU A 1 170 ? 53.400 14.706 37.681 1.00 9.73 ? 170 LEU A CD1 1 ATOM 1291 C CD2 . LEU A 1 170 ? 53.879 17.137 37.536 1.00 10.11 ? 170 LEU A CD2 1 ATOM 1292 N N . ALA A 1 171 ? 48.584 18.351 38.247 1.00 6.57 ? 171 ALA A N 1 ATOM 1293 C CA . ALA A 1 171 ? 47.608 19.244 37.654 1.00 6.52 ? 171 ALA A CA 1 ATOM 1294 C C . ALA A 1 171 ? 48.174 20.647 37.482 1.00 6.29 ? 171 ALA A C 1 ATOM 1295 O O . ALA A 1 171 ? 47.739 21.399 36.639 1.00 6.46 ? 171 ALA A O 1 ATOM 1296 C CB . ALA A 1 171 ? 46.336 19.290 38.516 1.00 7.38 ? 171 ALA A CB 1 ATOM 1297 N N . SER A 1 172 ? 49.186 21.033 38.313 1.00 6.27 ? 172 SER A N 1 ATOM 1298 C CA . SER A 1 172 ? 49.848 22.275 38.131 1.00 6.65 ? 172 SER A CA 1 ATOM 1299 C C . SER A 1 172 ? 50.489 22.447 36.763 1.00 5.75 ? 172 SER A C 1 ATOM 1300 O O . SER A 1 172 ? 50.684 23.587 36.323 1.00 6.22 ? 172 SER A O 1 ATOM 1301 C CB . SER A 1 172 ? 50.966 22.404 39.183 1.00 8.40 ? 172 SER A CB 1 ATOM 1302 O OG . SER A 1 172 ? 51.914 21.334 38.997 1.00 12.63 ? 172 SER A OG 1 ATOM 1303 N N . HIS A 1 173 ? 50.794 21.346 36.091 1.00 5.85 ? 173 HIS A N 1 ATOM 1304 C CA . HIS A 1 173 ? 51.356 21.462 34.717 1.00 5.96 ? 173 HIS A CA 1 ATOM 1305 C C . HIS A 1 173 ? 50.320 21.888 33.709 1.00 5.74 ? 173 HIS A C 1 ATOM 1306 O O . HIS A 1 173 ? 50.660 22.187 32.551 1.00 6.67 ? 173 HIS A O 1 ATOM 1307 C CB . HIS A 1 173 ? 52.115 20.215 34.348 1.00 6.13 ? 173 HIS A CB 1 ATOM 1308 C CG . HIS A 1 173 ? 53.474 20.145 34.985 1.00 6.37 ? 173 HIS A CG 1 ATOM 1309 N ND1 . HIS A 1 173 ? 54.438 19.224 34.640 1.00 6.57 ? 173 HIS A ND1 1 ATOM 1310 C CD2 . HIS A 1 173 ? 54.016 20.920 35.969 1.00 6.10 ? 173 HIS A CD2 1 ATOM 1311 C CE1 . HIS A 1 173 ? 55.526 19.475 35.393 1.00 6.65 ? 173 HIS A CE1 1 ATOM 1312 N NE2 . HIS A 1 173 ? 55.319 20.497 36.181 1.00 7.34 ? 173 HIS A NE2 1 ATOM 1313 N N . SER A 1 174 ? 49.042 22.019 34.147 1.00 6.12 ? 174 SER A N 1 ATOM 1314 C CA . SER A 1 174 ? 48.021 22.672 33.346 1.00 5.79 ? 174 SER A CA 1 ATOM 1315 C C . SER A 1 174 ? 48.236 24.180 33.237 1.00 5.76 ? 174 SER A C 1 ATOM 1316 O O . SER A 1 174 ? 47.590 24.814 32.383 1.00 6.45 ? 174 SER A O 1 ATOM 1317 C CB . SER A 1 174 ? 46.633 22.407 33.941 1.00 6.19 ? 174 SER A CB 1 ATOM 1318 O OG . SER A 1 174 ? 45.625 22.847 33.058 1.00 6.57 ? 174 SER A OG 1 ATOM 1319 N N . VAL A 1 175 ? 49.049 24.754 34.092 1.00 5.93 ? 175 VAL A N 1 ATOM 1320 C CA . VAL A 1 175 ? 49.310 26.206 34.128 1.00 6.60 ? 175 VAL A CA 1 ATOM 1321 C C . VAL A 1 175 ? 50.819 26.437 34.241 1.00 6.27 ? 175 VAL A C 1 ATOM 1322 O O . VAL A 1 175 ? 51.330 27.036 35.180 1.00 7.32 ? 175 VAL A O 1 ATOM 1323 C CB . VAL A 1 175 ? 48.519 26.920 35.238 1.00 6.12 ? 175 VAL A CB 1 ATOM 1324 C CG1 . VAL A 1 175 ? 47.043 26.905 34.920 1.00 6.90 ? 175 VAL A CG1 1 ATOM 1325 C CG2 . VAL A 1 175 ? 48.760 26.294 36.618 1.00 7.79 ? 175 VAL A CG2 1 ATOM 1326 N N . ALA A 1 176 ? 51.565 25.928 33.269 1.00 7.25 ? 176 ALA A N 1 ATOM 1327 C CA . ALA A 1 176 ? 53.000 25.813 33.417 1.00 6.91 ? 176 ALA A CA 1 ATOM 1328 C C . ALA A 1 176 ? 53.710 25.879 32.086 1.00 6.39 ? 176 ALA A C 1 ATOM 1329 O O . ALA A 1 176 ? 53.239 25.337 31.077 1.00 6.93 ? 176 ALA A O 1 ATOM 1330 C CB . ALA A 1 176 ? 53.344 24.482 34.043 1.00 7.76 ? 176 ALA A CB 1 ATOM 1331 N N . ARG A 1 177 ? 54.864 26.558 32.082 1.00 6.55 ? 177 ARG A N 1 ATOM 1332 C CA . ARG A 1 177 ? 55.705 26.654 30.913 1.00 6.42 ? 177 ARG A CA 1 ATOM 1333 C C . ARG A 1 177 ? 57.185 26.473 31.293 1.00 6.97 ? 177 ARG A C 1 ATOM 1334 O O . ARG A 1 177 ? 57.554 26.524 32.466 1.00 8.13 ? 177 ARG A O 1 ATOM 1335 C CB . ARG A 1 177 ? 55.476 27.999 30.193 1.00 7.10 ? 177 ARG A CB 1 ATOM 1336 C CG . ARG A 1 177 ? 54.045 28.394 30.044 1.00 6.44 ? 177 ARG A CG 1 ATOM 1337 C CD . ARG A 1 177 ? 53.751 29.568 29.159 1.00 7.13 ? 177 ARG A CD 1 ATOM 1338 N NE . ARG A 1 177 ? 54.253 30.768 29.817 1.00 8.03 ? 177 ARG A NE 1 ATOM 1339 C CZ . ARG A 1 177 ? 53.997 32.020 29.354 1.00 7.74 ? 177 ARG A CZ 1 ATOM 1340 N NH1 . ARG A 1 177 ? 53.318 32.193 28.259 1.00 7.94 ? 177 ARG A NH1 1 ATOM 1341 N NH2 . ARG A 1 177 ? 54.449 33.055 30.036 1.00 9.52 ? 177 ARG A NH2 1 ATOM 1342 N N . ALA A 1 178 ? 58.011 26.244 30.294 1.00 6.91 ? 178 ALA A N 1 ATOM 1343 C CA . ALA A 1 178 ? 59.422 25.970 30.532 1.00 6.92 ? 178 ALA A CA 1 ATOM 1344 C C . ALA A 1 178 ? 60.309 26.985 29.785 1.00 7.37 ? 178 ALA A C 1 ATOM 1345 O O . ALA A 1 178 ? 60.182 27.214 28.577 1.00 7.94 ? 178 ALA A O 1 ATOM 1346 C CB . ALA A 1 178 ? 59.813 24.623 30.000 1.00 8.00 ? 178 ALA A CB 1 ATOM 1347 N N . ASP A 1 179 ? 61.264 27.545 30.555 1.00 8.20 ? 179 ASP A N 1 ATOM 1348 C CA . ASP A 1 179 ? 62.279 28.463 30.034 1.00 9.08 ? 179 ASP A CA 1 ATOM 1349 C C . ASP A 1 179 ? 63.682 27.813 29.954 1.00 9.84 ? 179 ASP A C 1 ATOM 1350 O O . ASP A 1 179 ? 64.531 28.291 29.173 1.00 13.26 ? 179 ASP A O 1 ATOM 1351 C CB . ASP A 1 179 ? 62.427 29.694 30.891 1.00 10.54 ? 179 ASP A CB 1 ATOM 1352 C CG . ASP A 1 179 ? 61.168 30.533 30.997 1.00 14.12 ? 179 ASP A CG 1 ATOM 1353 O OD1 . ASP A 1 179 ? 60.337 30.508 30.054 1.00 15.28 ? 179 ASP A OD1 1 ATOM 1354 O OD2 . ASP A 1 179 ? 61.053 31.248 32.003 1.00 19.88 ? 179 ASP A OD2 1 ATOM 1355 N N . LYS A 1 180 ? 63.944 26.807 30.739 1.00 8.98 ? 180 LYS A N 1 ATOM 1356 C CA . LYS A 1 180 ? 65.335 26.314 30.928 1.00 10.37 ? 180 LYS A CA 1 ATOM 1357 C C . LYS A 1 180 ? 65.543 25.004 30.263 1.00 10.58 ? 180 LYS A C 1 ATOM 1358 O O . LYS A 1 180 ? 66.704 24.660 29.957 1.00 14.01 ? 180 LYS A O 1 ATOM 1359 C CB . LYS A 1 180 ? 65.711 26.233 32.412 1.00 11.78 ? 180 LYS A CB 1 ATOM 1360 C CG . LYS A 1 180 ? 65.554 27.477 33.193 1.00 11.48 ? 180 LYS A CG 1 ATOM 1361 C CD . LYS A 1 180 ? 66.330 28.633 32.658 1.00 13.85 ? 180 LYS A CD 1 ATOM 1362 C CE . LYS A 1 180 ? 66.208 29.852 33.605 1.00 21.28 ? 180 LYS A CE 1 ATOM 1363 N NZ . LYS A 1 180 ? 66.960 31.010 33.053 1.00 31.66 ? 180 LYS A NZ 1 ATOM 1364 N N . VAL A 1 181 ? 64.522 24.209 29.996 1.00 9.81 ? 181 VAL A N 1 ATOM 1365 C CA . VAL A 1 181 ? 64.692 22.898 29.404 1.00 9.91 ? 181 VAL A CA 1 ATOM 1366 C C . VAL A 1 181 ? 65.369 23.033 28.039 1.00 10.13 ? 181 VAL A C 1 ATOM 1367 O O . VAL A 1 181 ? 66.269 22.290 27.680 1.00 11.38 ? 181 VAL A O 1 ATOM 1368 C CB . VAL A 1 181 ? 63.358 22.165 29.268 1.00 9.99 ? 181 VAL A CB 1 ATOM 1369 C CG1 . VAL A 1 181 ? 63.554 20.833 28.527 1.00 10.74 ? 181 VAL A CG1 1 ATOM 1370 C CG2 . VAL A 1 181 ? 62.760 21.865 30.613 1.00 11.01 ? 181 VAL A CG2 1 ATOM 1371 N N . ASP A 1 182 ? 64.908 23.959 27.227 1.00 10.57 ? 182 ASP A N 1 ATOM 1372 C CA . ASP A 1 182 ? 65.469 24.225 25.923 1.00 11.36 ? 182 ASP A CA 1 ATOM 1373 C C . ASP A 1 182 ? 65.979 25.664 25.935 1.00 16.04 ? 182 ASP A C 1 ATOM 1374 O O . ASP A 1 182 ? 65.164 26.569 26.067 1.00 30.14 ? 182 ASP A O 1 ATOM 1375 C CB A ASP A 1 182 ? 64.383 24.084 24.857 0.52 14.74 ? 182 ASP A CB 1 ATOM 1376 C CB B ASP A 1 182 ? 64.447 24.196 24.780 0.52 17.11 ? 182 ASP A CB 1 ATOM 1377 C CG A ASP A 1 182 ? 64.912 24.161 23.437 0.52 9.58 ? 182 ASP A CG 1 ATOM 1378 C CG B ASP A 1 182 ? 65.135 24.562 23.482 0.52 18.43 ? 182 ASP A CG 1 ATOM 1379 O OD1 A ASP A 1 182 ? 65.936 24.819 23.273 0.52 15.60 ? 182 ASP A OD1 1 ATOM 1380 O OD1 B ASP A 1 182 ? 65.399 25.727 23.161 0.52 19.78 ? 182 ASP A OD1 1 ATOM 1381 O OD2 A ASP A 1 182 ? 64.207 23.648 22.552 0.52 8.96 ? 182 ASP A OD2 1 ATOM 1382 O OD2 B ASP A 1 182 ? 65.475 23.647 22.739 0.52 15.82 ? 182 ASP A OD2 1 ATOM 1383 N N . GLN A 1 183 ? 67.234 25.872 25.793 1.00 23.30 ? 183 GLN A N 1 ATOM 1384 C CA . GLN A 1 183 ? 67.945 27.130 25.836 1.00 32.49 ? 183 GLN A CA 1 ATOM 1385 C C . GLN A 1 183 ? 67.518 28.116 24.761 1.00 26.07 ? 183 GLN A C 1 ATOM 1386 O O . GLN A 1 183 ? 67.711 29.327 24.807 1.00 42.64 ? 183 GLN A O 1 ATOM 1387 C CB . GLN A 1 183 ? 69.437 26.881 25.809 1.00 46.73 ? 183 GLN A CB 1 ATOM 1388 C CG . GLN A 1 183 ? 70.205 25.790 25.096 1.00 68.59 ? 183 GLN A CG 1 ATOM 1389 C CD . GLN A 1 183 ? 71.210 25.094 26.005 1.00 67.90 ? 183 GLN A CD 1 ATOM 1390 O OE1 . GLN A 1 183 ? 71.872 25.754 26.816 1.00 79.38 ? 183 GLN A OE1 1 ATOM 1391 N NE2 . GLN A 1 183 ? 71.340 23.775 25.860 1.00 50.25 ? 183 GLN A NE2 1 ATOM 1392 N N . THR A 1 184 ? 66.983 27.590 23.681 1.00 15.01 ? 184 THR A N 1 ATOM 1393 C CA . THR A 1 184 ? 66.712 28.380 22.527 1.00 18.40 ? 184 THR A CA 1 ATOM 1394 C C . THR A 1 184 ? 65.339 29.005 22.471 1.00 19.96 ? 184 THR A C 1 ATOM 1395 O O . THR A 1 184 ? 65.078 29.689 21.497 1.00 20.81 ? 184 THR A O 1 ATOM 1396 C CB . THR A 1 184 ? 66.885 27.528 21.233 1.00 20.52 ? 184 THR A CB 1 ATOM 1397 O OG1 . THR A 1 184 ? 65.826 26.529 21.082 1.00 25.52 ? 184 THR A OG1 1 ATOM 1398 C CG2 . THR A 1 184 ? 68.244 26.824 21.205 1.00 36.59 ? 184 THR A CG2 1 ATOM 1399 N N . ILE A 1 185 ? 64.411 28.563 23.281 1.00 12.62 ? 185 ILE A N 1 ATOM 1400 C CA . ILE A 1 185 ? 63.046 29.073 23.331 1.00 11.58 ? 185 ILE A CA 1 ATOM 1401 C C . ILE A 1 185 ? 62.681 29.378 24.779 1.00 11.68 ? 185 ILE A C 1 ATOM 1402 O O . ILE A 1 185 ? 63.256 28.825 25.724 1.00 15.27 ? 185 ILE A O 1 ATOM 1403 C CB . ILE A 1 185 ? 62.031 28.055 22.739 1.00 10.91 ? 185 ILE A CB 1 ATOM 1404 C CG1 . ILE A 1 185 ? 62.067 26.723 23.468 1.00 11.78 ? 185 ILE A CG1 1 ATOM 1405 C CG2 . ILE A 1 185 ? 62.287 27.829 21.255 1.00 15.18 ? 185 ILE A CG2 1 ATOM 1406 C CD1 . ILE A 1 185 ? 61.060 25.699 23.033 1.00 11.43 ? 185 ILE A CD1 1 ATOM 1407 N N . ASP A 1 186 ? 61.728 30.306 24.921 1.00 13.24 ? 186 ASP A N 1 ATOM 1408 C CA . ASP A 1 186 ? 61.217 30.728 26.198 1.00 16.44 ? 186 ASP A CA 1 ATOM 1409 C C . ASP A 1 186 ? 59.751 30.400 26.301 1.00 10.02 ? 186 ASP A C 1 ATOM 1410 O O . ASP A 1 186 ? 59.005 30.379 25.334 1.00 12.86 ? 186 ASP A O 1 ATOM 1411 C CB . ASP A 1 186 ? 61.432 32.245 26.431 1.00 29.69 ? 186 ASP A CB 1 ATOM 1412 C CG . ASP A 1 186 ? 62.812 32.626 26.946 1.00 55.33 ? 186 ASP A CG 1 ATOM 1413 O OD1 . ASP A 1 186 ? 63.573 31.689 27.300 1.00 59.72 ? 186 ASP A OD1 1 ATOM 1414 O OD2 . ASP A 1 186 ? 63.188 33.824 27.087 1.00 64.66 ? 186 ASP A OD2 1 ATOM 1415 N N . ALA A 1 187 ? 59.320 30.098 27.509 1.00 9.09 ? 187 ALA A N 1 ATOM 1416 C CA . ALA A 1 187 ? 57.895 29.999 27.815 1.00 8.58 ? 187 ALA A CA 1 ATOM 1417 C C . ALA A 1 187 ? 57.184 28.959 26.982 1.00 7.52 ? 187 ALA A C 1 ATOM 1418 O O . ALA A 1 187 ? 56.085 29.219 26.457 1.00 8.60 ? 187 ALA A O 1 ATOM 1419 C CB . ALA A 1 187 ? 57.223 31.363 27.744 1.00 10.18 ? 187 ALA A CB 1 ATOM 1420 N N . ALA A 1 188 ? 57.737 27.745 26.916 1.00 7.52 ? 188 ALA A N 1 ATOM 1421 C CA . ALA A 1 188 ? 57.130 26.656 26.189 1.00 7.00 ? 188 ALA A CA 1 ATOM 1422 C C . ALA A 1 188 ? 56.074 26.003 27.078 1.00 6.53 ? 188 ALA A C 1 ATOM 1423 O O . ALA A 1 188 ? 56.443 25.397 28.094 1.00 6.29 ? 188 ALA A O 1 ATOM 1424 C CB . ALA A 1 188 ? 58.153 25.638 25.755 1.00 7.81 ? 188 ALA A CB 1 ATOM 1425 N N . PRO A 1 189 ? 54.778 26.117 26.736 1.00 6.49 ? 189 PRO A N 1 ATOM 1426 C CA . PRO A 1 189 ? 53.751 25.622 27.669 1.00 6.78 ? 189 PRO A CA 1 ATOM 1427 C C . PRO A 1 189 ? 53.613 24.104 27.633 1.00 5.96 ? 189 PRO A C 1 ATOM 1428 O O . PRO A 1 189 ? 53.855 23.430 26.635 1.00 6.54 ? 189 PRO A O 1 ATOM 1429 C CB . PRO A 1 189 ? 52.483 26.271 27.125 1.00 7.01 ? 189 PRO A CB 1 ATOM 1430 C CG . PRO A 1 189 ? 52.759 26.388 25.632 1.00 7.23 ? 189 PRO A CG 1 ATOM 1431 C CD . PRO A 1 189 ? 54.216 26.753 25.531 1.00 7.23 ? 189 PRO A CD 1 ATOM 1432 N N . PHE A 1 190 ? 53.159 23.542 28.769 1.00 6.12 ? 190 PHE A N 1 ATOM 1433 C CA . PHE A 1 190 ? 52.952 22.106 28.854 1.00 6.02 ? 190 PHE A CA 1 ATOM 1434 C C . PHE A 1 190 ? 51.552 21.680 28.401 1.00 6.02 ? 190 PHE A C 1 ATOM 1435 O O . PHE A 1 190 ? 51.298 20.492 28.149 1.00 6.90 ? 190 PHE A O 1 ATOM 1436 C CB . PHE A 1 190 ? 53.217 21.576 30.273 1.00 6.71 ? 190 PHE A CB 1 ATOM 1437 C CG . PHE A 1 190 ? 54.633 21.801 30.756 1.00 6.42 ? 190 PHE A CG 1 ATOM 1438 C CD1 . PHE A 1 190 ? 55.712 21.893 29.865 1.00 7.58 ? 190 PHE A CD1 1 ATOM 1439 C CD2 . PHE A 1 190 ? 54.912 21.876 32.091 1.00 7.33 ? 190 PHE A CD2 1 ATOM 1440 C CE1 . PHE A 1 190 ? 56.997 22.111 30.339 1.00 7.90 ? 190 PHE A CE1 1 ATOM 1441 C CE2 . PHE A 1 190 ? 56.204 22.049 32.563 1.00 8.37 ? 190 PHE A CE2 1 ATOM 1442 C CZ . PHE A 1 190 ? 57.253 22.179 31.684 1.00 7.48 ? 190 PHE A CZ 1 ATOM 1443 N N . ASP A 1 191 ? 50.615 22.618 28.288 1.00 6.09 ? 191 ASP A N 1 ATOM 1444 C CA . ASP A 1 191 ? 49.345 22.355 27.596 1.00 6.14 ? 191 ASP A CA 1 ATOM 1445 C C . ASP A 1 191 ? 48.981 23.549 26.776 1.00 6.20 ? 191 ASP A C 1 ATOM 1446 O O . ASP A 1 191 ? 49.601 24.635 26.868 1.00 6.86 ? 191 ASP A O 1 ATOM 1447 C CB . ASP A 1 191 ? 48.273 21.798 28.507 1.00 6.38 ? 191 ASP A CB 1 ATOM 1448 C CG . ASP A 1 191 ? 47.496 22.739 29.388 1.00 5.89 ? 191 ASP A CG 1 ATOM 1449 O OD1 . ASP A 1 191 ? 47.639 23.985 29.291 1.00 6.35 ? 191 ASP A OD1 1 ATOM 1450 O OD2 . ASP A 1 191 ? 46.683 22.250 30.219 1.00 6.33 ? 191 ASP A OD2 1 ATOM 1451 N N . SER A 1 192 ? 47.925 23.408 25.984 1.00 6.63 ? 192 SER A N 1 ATOM 1452 C CA . SER A 1 192 ? 47.463 24.444 25.084 1.00 6.68 ? 192 SER A CA 1 ATOM 1453 C C . SER A 1 192 ? 46.708 25.566 25.761 1.00 6.65 ? 192 SER A C 1 ATOM 1454 O O . SER A 1 192 ? 46.333 26.533 25.105 1.00 7.55 ? 192 SER A O 1 ATOM 1455 C CB . SER A 1 192 ? 46.629 23.843 23.969 1.00 7.45 ? 192 SER A CB 1 ATOM 1456 O OG . SER A 1 192 ? 45.434 23.304 24.455 1.00 8.06 ? 192 SER A OG 1 ATOM 1457 N N . THR A 1 193 ? 46.538 25.475 27.088 1.00 6.46 ? 193 THR A N 1 ATOM 1458 C CA . THR A 1 193 ? 45.804 26.452 27.863 1.00 6.53 ? 193 THR A CA 1 ATOM 1459 C C . THR A 1 193 ? 46.582 26.774 29.167 1.00 6.50 ? 193 THR A C 1 ATOM 1460 O O . THR A 1 193 ? 46.122 26.497 30.288 1.00 6.16 ? 193 THR A O 1 ATOM 1461 C CB . THR A 1 193 ? 44.383 25.939 28.188 1.00 6.90 ? 193 THR A CB 1 ATOM 1462 O OG1 . THR A 1 193 ? 44.518 24.704 28.897 1.00 6.77 ? 193 THR A OG1 1 ATOM 1463 C CG2 . THR A 1 193 ? 43.604 25.733 26.910 1.00 7.05 ? 193 THR A CG2 1 ATOM 1464 N N . PRO A 1 194 ? 47.770 27.369 29.030 1.00 6.14 ? 194 PRO A N 1 ATOM 1465 C CA . PRO A 1 194 ? 48.630 27.541 30.197 1.00 6.40 ? 194 PRO A CA 1 ATOM 1466 C C . PRO A 1 194 ? 48.167 28.613 31.187 1.00 6.23 ? 194 PRO A C 1 ATOM 1467 O O . PRO A 1 194 ? 48.798 28.785 32.230 1.00 6.61 ? 194 PRO A O 1 ATOM 1468 C CB . PRO A 1 194 ? 49.972 27.889 29.583 1.00 7.12 ? 194 PRO A CB 1 ATOM 1469 C CG . PRO A 1 194 ? 49.594 28.612 28.297 1.00 6.92 ? 194 PRO A CG 1 ATOM 1470 C CD . PRO A 1 194 ? 48.452 27.783 27.775 1.00 7.11 ? 194 PRO A CD 1 ATOM 1471 N N . PHE A 1 195 ? 47.081 29.335 30.856 1.00 6.28 ? 195 PHE A N 1 ATOM 1472 C CA . PHE A 1 195 ? 46.475 30.295 31.767 1.00 6.43 ? 195 PHE A CA 1 ATOM 1473 C C . PHE A 1 195 ? 45.201 29.741 32.377 1.00 6.93 ? 195 PHE A C 1 ATOM 1474 O O . PHE A 1 195 ? 44.471 30.512 33.060 1.00 7.55 ? 195 PHE A O 1 ATOM 1475 C CB . PHE A 1 195 ? 46.291 31.631 31.112 1.00 7.47 ? 195 PHE A CB 1 ATOM 1476 C CG . PHE A 1 195 ? 47.503 32.065 30.299 1.00 7.55 ? 195 PHE A CG 1 ATOM 1477 C CD1 . PHE A 1 195 ? 48.729 32.258 30.865 1.00 9.12 ? 195 PHE A CD1 1 ATOM 1478 C CD2 . PHE A 1 195 ? 47.405 32.200 28.947 1.00 9.57 ? 195 PHE A CD2 1 ATOM 1479 C CE1 . PHE A 1 195 ? 49.822 32.542 30.095 1.00 11.16 ? 195 PHE A CE1 1 ATOM 1480 C CE2 . PHE A 1 195 ? 48.487 32.543 28.174 1.00 13.25 ? 195 PHE A CE2 1 ATOM 1481 C CZ . PHE A 1 195 ? 49.693 32.799 28.762 1.00 11.82 ? 195 PHE A CZ 1 ATOM 1482 N N . THR A 1 196 ? 44.855 28.487 32.143 1.00 6.63 ? 196 THR A N 1 ATOM 1483 C CA . THR A 1 196 ? 43.593 27.896 32.536 1.00 6.91 ? 196 THR A CA 1 ATOM 1484 C C . THR A 1 196 ? 43.863 26.610 33.270 1.00 6.13 ? 196 THR A C 1 ATOM 1485 O O . THR A 1 196 ? 44.499 25.686 32.736 1.00 6.64 ? 196 THR A O 1 ATOM 1486 C CB . THR A 1 196 ? 42.699 27.558 31.302 1.00 7.86 ? 196 THR A CB 1 ATOM 1487 O OG1 . THR A 1 196 ? 42.676 28.721 30.441 1.00 9.94 ? 196 THR A OG1 1 ATOM 1488 C CG2 . THR A 1 196 ? 41.320 27.142 31.754 1.00 8.56 ? 196 THR A CG2 1 ATOM 1489 N N . PHE A 1 197 ? 43.331 26.456 34.486 1.00 6.24 ? 197 PHE A N 1 ATOM 1490 C CA . PHE A 1 197 ? 43.536 25.277 35.327 1.00 6.43 ? 197 PHE A CA 1 ATOM 1491 C C . PHE A 1 197 ? 42.469 24.220 34.972 1.00 6.27 ? 197 PHE A C 1 ATOM 1492 O O . PHE A 1 197 ? 41.509 23.974 35.702 1.00 8.74 ? 197 PHE A O 1 ATOM 1493 C CB . PHE A 1 197 ? 43.484 25.643 36.809 1.00 6.94 ? 197 PHE A CB 1 ATOM 1494 C CG . PHE A 1 197 ? 44.121 24.622 37.733 1.00 6.95 ? 197 PHE A CG 1 ATOM 1495 C CD1 . PHE A 1 197 ? 43.430 23.593 38.324 1.00 8.57 ? 197 PHE A CD1 1 ATOM 1496 C CD2 . PHE A 1 197 ? 45.490 24.778 38.000 1.00 8.54 ? 197 PHE A CD2 1 ATOM 1497 C CE1 . PHE A 1 197 ? 44.099 22.704 39.175 1.00 10.09 ? 197 PHE A CE1 1 ATOM 1498 C CE2 . PHE A 1 197 ? 46.163 23.928 38.804 1.00 10.79 ? 197 PHE A CE2 1 ATOM 1499 C CZ . PHE A 1 197 ? 45.474 22.889 39.379 1.00 11.01 ? 197 PHE A CZ 1 ATOM 1500 N N . ASP A 1 198 ? 42.642 23.649 33.791 1.00 7.19 ? 198 ASP A N 1 ATOM 1501 C CA . ASP A 1 198 ? 41.768 22.684 33.158 1.00 6.85 ? 198 ASP A CA 1 ATOM 1502 C C . ASP A 1 198 ? 42.513 21.360 33.020 1.00 6.08 ? 198 ASP A C 1 ATOM 1503 O O . ASP A 1 198 ? 43.619 21.162 33.513 1.00 6.50 ? 198 ASP A O 1 ATOM 1504 C CB . ASP A 1 198 ? 41.248 23.218 31.818 1.00 6.72 ? 198 ASP A CB 1 ATOM 1505 C CG . ASP A 1 198 ? 42.382 23.543 30.825 1.00 6.52 ? 198 ASP A CG 1 ATOM 1506 O OD1 . ASP A 1 198 ? 43.540 23.141 31.136 1.00 6.39 ? 198 ASP A OD1 1 ATOM 1507 O OD2 . ASP A 1 198 ? 42.085 24.153 29.804 1.00 7.68 ? 198 ASP A OD2 1 ATOM 1508 N N . THR A 1 199 ? 41.874 20.383 32.369 1.00 6.20 ? 199 THR A N 1 ATOM 1509 C CA . THR A 1 199 ? 42.422 19.059 32.266 1.00 6.18 ? 199 THR A CA 1 ATOM 1510 C C . THR A 1 199 ? 43.187 18.824 30.983 1.00 5.96 ? 199 THR A C 1 ATOM 1511 O O . THR A 1 199 ? 43.590 17.689 30.681 1.00 6.61 ? 199 THR A O 1 ATOM 1512 C CB . THR A 1 199 ? 41.355 17.940 32.469 1.00 6.52 ? 199 THR A CB 1 ATOM 1513 O OG1 . THR A 1 199 ? 40.520 17.830 31.312 1.00 6.88 ? 199 THR A OG1 1 ATOM 1514 C CG2 . THR A 1 199 ? 40.533 18.183 33.724 1.00 7.16 ? 199 THR A CG2 1 ATOM 1515 N N . GLN A 1 200 ? 43.461 19.888 30.204 1.00 6.12 ? 200 GLN A N 1 ATOM 1516 C CA . GLN A 1 200 ? 44.099 19.725 28.916 1.00 6.11 ? 200 GLN A CA 1 ATOM 1517 C C . GLN A 1 200 ? 45.445 19.052 29.015 1.00 6.15 ? 200 GLN A C 1 ATOM 1518 O O . GLN A 1 200 ? 45.734 18.204 28.138 1.00 6.46 ? 200 GLN A O 1 ATOM 1519 C CB . GLN A 1 200 ? 44.206 21.029 28.139 1.00 6.77 ? 200 GLN A CB 1 ATOM 1520 C CG . GLN A 1 200 ? 42.857 21.594 27.661 1.00 7.45 ? 200 GLN A CG 1 ATOM 1521 C CD . GLN A 1 200 ? 42.123 20.742 26.664 1.00 7.27 ? 200 GLN A CD 1 ATOM 1522 O OE1 . GLN A 1 200 ? 40.886 20.594 26.783 1.00 8.80 ? 200 GLN A OE1 1 ATOM 1523 N NE2 . GLN A 1 200 ? 42.780 20.193 25.664 1.00 7.83 ? 200 GLN A NE2 1 ATOM 1524 N N . VAL A 1 201 ? 46.255 19.313 30.014 1.00 6.31 ? 201 VAL A N 1 ATOM 1525 C CA . VAL A 1 201 ? 47.562 18.658 30.088 1.00 6.14 ? 201 VAL A CA 1 ATOM 1526 C C . VAL A 1 201 ? 47.429 17.151 30.113 1.00 5.98 ? 201 VAL A C 1 ATOM 1527 O O . VAL A 1 201 ? 48.249 16.423 29.543 1.00 6.40 ? 201 VAL A O 1 ATOM 1528 C CB . VAL A 1 201 ? 48.384 19.202 31.274 1.00 6.41 ? 201 VAL A CB 1 ATOM 1529 C CG1 . VAL A 1 201 ? 47.809 18.825 32.615 1.00 7.39 ? 201 VAL A CG1 1 ATOM 1530 C CG2 . VAL A 1 201 ? 49.847 18.730 31.159 1.00 7.64 ? 201 VAL A CG2 1 ATOM 1531 N N . PHE A 1 202 ? 46.427 16.649 30.841 1.00 6.15 ? 202 PHE A N 1 ATOM 1532 C CA . PHE A 1 202 ? 46.272 15.192 30.957 1.00 6.51 ? 202 PHE A CA 1 ATOM 1533 C C . PHE A 1 202 ? 45.935 14.572 29.594 1.00 6.04 ? 202 PHE A C 1 ATOM 1534 O O . PHE A 1 202 ? 46.482 13.540 29.235 1.00 7.11 ? 202 PHE A O 1 ATOM 1535 C CB . PHE A 1 202 ? 45.250 14.826 32.018 1.00 6.86 ? 202 PHE A CB 1 ATOM 1536 C CG . PHE A 1 202 ? 45.755 15.202 33.414 1.00 6.19 ? 202 PHE A CG 1 ATOM 1537 C CD1 . PHE A 1 202 ? 45.341 16.348 34.083 1.00 6.55 ? 202 PHE A CD1 1 ATOM 1538 C CD2 . PHE A 1 202 ? 46.678 14.372 34.037 1.00 6.51 ? 202 PHE A CD2 1 ATOM 1539 C CE1 . PHE A 1 202 ? 45.883 16.701 35.305 1.00 6.87 ? 202 PHE A CE1 1 ATOM 1540 C CE2 . PHE A 1 202 ? 47.242 14.731 35.225 1.00 7.25 ? 202 PHE A CE2 1 ATOM 1541 C CZ . PHE A 1 202 ? 46.823 15.869 35.907 1.00 7.29 ? 202 PHE A CZ 1 ATOM 1542 N N . LEU A 1 203 ? 45.054 15.234 28.849 1.00 6.39 ? 203 LEU A N 1 ATOM 1543 C CA . LEU A 1 203 ? 44.733 14.790 27.494 1.00 6.55 ? 203 LEU A CA 1 ATOM 1544 C C . LEU A 1 203 ? 45.958 14.868 26.580 1.00 5.99 ? 203 LEU A C 1 ATOM 1545 O O . LEU A 1 203 ? 46.254 13.967 25.814 1.00 6.89 ? 203 LEU A O 1 ATOM 1546 C CB . LEU A 1 203 ? 43.584 15.646 26.945 1.00 7.15 ? 203 LEU A CB 1 ATOM 1547 C CG . LEU A 1 203 ? 43.208 15.410 25.481 1.00 8.17 ? 203 LEU A CG 1 ATOM 1548 C CD1 A LEU A 1 203 ? 42.771 14.026 25.257 0.52 6.25 ? 203 LEU A CD1 1 ATOM 1549 C CD1 B LEU A 1 203 ? 43.330 14.055 24.820 0.52 22.14 ? 203 LEU A CD1 1 ATOM 1550 C CD2 A LEU A 1 203 ? 42.229 16.470 25.005 0.52 7.32 ? 203 LEU A CD2 1 ATOM 1551 C CD2 B LEU A 1 203 ? 41.703 15.779 25.380 0.52 16.57 ? 203 LEU A CD2 1 ATOM 1552 N N . GLU A 1 204 ? 46.590 16.045 26.571 1.00 6.34 ? 204 GLU A N 1 ATOM 1553 C CA . GLU A 1 204 ? 47.576 16.344 25.527 1.00 6.32 ? 204 GLU A CA 1 ATOM 1554 C C . GLU A 1 204 ? 48.832 15.519 25.688 1.00 6.34 ? 204 GLU A C 1 ATOM 1555 O O . GLU A 1 204 ? 49.459 15.179 24.658 1.00 6.83 ? 204 GLU A O 1 ATOM 1556 C CB . GLU A 1 204 ? 47.846 17.863 25.483 1.00 6.61 ? 204 GLU A CB 1 ATOM 1557 C CG . GLU A 1 204 ? 46.620 18.608 24.976 1.00 6.77 ? 204 GLU A CG 1 ATOM 1558 C CD . GLU A 1 204 ? 46.676 20.091 25.047 1.00 6.66 ? 204 GLU A CD 1 ATOM 1559 O OE1 . GLU A 1 204 ? 47.766 20.687 25.175 1.00 7.26 ? 204 GLU A OE1 1 ATOM 1560 O OE2 . GLU A 1 204 ? 45.567 20.730 24.996 1.00 7.71 ? 204 GLU A OE2 1 ATOM 1561 N N . VAL A 1 205 ? 49.225 15.155 26.905 1.00 6.22 ? 205 VAL A N 1 ATOM 1562 C CA . VAL A 1 205 ? 50.398 14.291 27.063 1.00 6.33 ? 205 VAL A CA 1 ATOM 1563 C C . VAL A 1 205 ? 50.160 12.917 26.471 1.00 6.43 ? 205 VAL A C 1 ATOM 1564 O O . VAL A 1 205 ? 51.122 12.244 26.107 1.00 7.06 ? 205 VAL A O 1 ATOM 1565 C CB . VAL A 1 205 ? 50.771 14.259 28.575 1.00 6.69 ? 205 VAL A CB 1 ATOM 1566 C CG1 . VAL A 1 205 ? 51.802 13.162 28.906 1.00 7.73 ? 205 VAL A CG1 1 ATOM 1567 C CG2 . VAL A 1 205 ? 51.351 15.610 28.989 1.00 6.77 ? 205 VAL A CG2 1 ATOM 1568 N N . LEU A 1 206 ? 48.901 12.469 26.350 1.00 6.87 ? 206 LEU A N 1 ATOM 1569 C CA . LEU A 1 206 ? 48.549 11.185 25.775 1.00 7.07 ? 206 LEU A CA 1 ATOM 1570 C C . LEU A 1 206 ? 48.523 11.162 24.275 1.00 7.45 ? 206 LEU A C 1 ATOM 1571 O O . LEU A 1 206 ? 48.268 10.114 23.673 1.00 9.86 ? 206 LEU A O 1 ATOM 1572 C CB . LEU A 1 206 ? 47.200 10.713 26.365 1.00 7.49 ? 206 LEU A CB 1 ATOM 1573 C CG . LEU A 1 206 ? 47.263 10.239 27.827 1.00 7.90 ? 206 LEU A CG 1 ATOM 1574 C CD1 . LEU A 1 206 ? 45.856 9.984 28.346 1.00 9.92 ? 206 LEU A CD1 1 ATOM 1575 C CD2 . LEU A 1 206 ? 48.159 9.035 28.019 1.00 9.50 ? 206 LEU A CD2 1 ATOM 1576 N N . LEU A 1 207 ? 48.741 12.275 23.594 1.00 7.29 ? 207 LEU A N 1 ATOM 1577 C CA . LEU A 1 207 ? 48.752 12.309 22.146 1.00 7.68 ? 207 LEU A CA 1 ATOM 1578 C C . LEU A 1 207 ? 50.133 11.933 21.582 1.00 7.85 ? 207 LEU A C 1 ATOM 1579 O O . LEU A 1 207 ? 51.159 12.167 22.202 1.00 9.70 ? 207 LEU A O 1 ATOM 1580 C CB . LEU A 1 207 ? 48.381 13.717 21.653 1.00 7.90 ? 207 LEU A CB 1 ATOM 1581 C CG . LEU A 1 207 ? 47.025 14.208 22.090 1.00 8.48 ? 207 LEU A CG 1 ATOM 1582 C CD1 . LEU A 1 207 ? 46.906 15.678 21.793 1.00 11.45 ? 207 LEU A CD1 1 ATOM 1583 C CD2 . LEU A 1 207 ? 45.911 13.418 21.453 1.00 12.86 ? 207 LEU A CD2 1 ATOM 1584 N N . LYS A 1 208 ? 50.165 11.364 20.392 1.00 9.22 ? 208 LYS A N 1 ATOM 1585 C CA . LYS A 1 208 ? 51.451 11.066 19.738 1.00 9.78 ? 208 LYS A CA 1 ATOM 1586 C C . LYS A 1 208 ? 52.216 12.369 19.497 1.00 8.82 ? 208 LYS A C 1 ATOM 1587 O O . LYS A 1 208 ? 51.754 13.335 18.968 1.00 9.97 ? 208 LYS A O 1 ATOM 1588 C CB . LYS A 1 208 ? 51.196 10.375 18.422 1.00 12.62 ? 208 LYS A CB 1 ATOM 1589 C CG . LYS A 1 208 ? 52.405 10.032 17.611 1.00 20.76 ? 208 LYS A CG 1 ATOM 1590 C CD . LYS A 1 208 ? 52.166 9.450 16.227 1.00 32.47 ? 208 LYS A CD 1 ATOM 1591 C CE . LYS A 1 208 ? 51.066 10.041 15.383 1.00 57.76 ? 208 LYS A CE 1 ATOM 1592 N NZ . LYS A 1 208 ? 51.364 11.288 14.631 1.00 81.67 ? 208 LYS A NZ 1 ATOM 1593 N N . GLY A 1 209 ? 53.489 12.354 19.907 1.00 9.09 ? 209 GLY A N 1 ATOM 1594 C CA . GLY A 1 209 ? 54.381 13.434 19.629 1.00 9.71 ? 209 GLY A CA 1 ATOM 1595 C C . GLY A 1 209 ? 54.757 13.532 18.162 1.00 8.95 ? 209 GLY A C 1 ATOM 1596 O O . GLY A 1 209 ? 55.022 12.461 17.559 1.00 12.02 ? 209 GLY A O 1 ATOM 1597 N N . VAL A 1 210 ? 54.872 14.713 17.607 1.00 9.31 ? 210 VAL A N 1 ATOM 1598 C CA . VAL A 1 210 ? 55.167 14.887 16.171 1.00 9.57 ? 210 VAL A CA 1 ATOM 1599 C C . VAL A 1 210 ? 56.317 15.834 15.945 1.00 10.27 ? 210 VAL A C 1 ATOM 1600 O O . VAL A 1 210 ? 56.670 16.036 14.761 1.00 12.18 ? 210 VAL A O 1 ATOM 1601 C CB . VAL A 1 210 ? 53.899 15.330 15.425 1.00 10.86 ? 210 VAL A CB 1 ATOM 1602 C CG1 . VAL A 1 210 ? 52.801 14.306 15.535 1.00 12.93 ? 210 VAL A CG1 1 ATOM 1603 C CG2 . VAL A 1 210 ? 53.410 16.721 15.843 1.00 12.25 ? 210 VAL A CG2 1 ATOM 1604 N N . GLY A 1 211 ? 56.896 16.469 16.934 1.00 9.02 ? 211 GLY A N 1 ATOM 1605 C CA . GLY A 1 211 ? 58.058 17.309 16.739 1.00 9.19 ? 211 GLY A CA 1 ATOM 1606 C C . GLY A 1 211 ? 58.417 17.956 18.041 1.00 8.90 ? 211 GLY A C 1 ATOM 1607 O O . GLY A 1 211 ? 57.930 17.485 19.105 1.00 9.90 ? 211 GLY A O 1 ATOM 1608 N N . PHE A 1 212 ? 59.246 18.969 18.015 1.00 9.51 ? 212 PHE A N 1 ATOM 1609 C CA . PHE A 1 212 ? 59.745 19.660 19.200 1.00 8.55 ? 212 PHE A CA 1 ATOM 1610 C C . PHE A 1 212 ? 59.522 21.147 19.035 1.00 8.83 ? 212 PHE A C 1 ATOM 1611 O O . PHE A 1 212 ? 59.677 21.659 17.906 1.00 9.93 ? 212 PHE A O 1 ATOM 1612 C CB . PHE A 1 212 ? 61.217 19.360 19.462 1.00 9.53 ? 212 PHE A CB 1 ATOM 1613 C CG . PHE A 1 212 ? 61.465 17.899 19.765 1.00 10.19 ? 212 PHE A CG 1 ATOM 1614 C CD1 . PHE A 1 212 ? 61.609 16.927 18.795 1.00 12.89 ? 212 PHE A CD1 1 ATOM 1615 C CD2 . PHE A 1 212 ? 61.556 17.502 21.087 1.00 10.70 ? 212 PHE A CD2 1 ATOM 1616 C CE1 . PHE A 1 212 ? 61.849 15.611 19.141 1.00 13.76 ? 212 PHE A CE1 1 ATOM 1617 C CE2 . PHE A 1 212 ? 61.809 16.198 21.453 1.00 11.76 ? 212 PHE A CE2 1 ATOM 1618 C CZ . PHE A 1 212 ? 61.921 15.228 20.443 1.00 13.91 ? 212 PHE A CZ 1 ATOM 1619 N N . PRO A 1 213 ? 59.240 21.860 20.117 1.00 8.48 ? 213 PRO A N 1 ATOM 1620 C CA . PRO A 1 213 ? 59.001 23.320 19.989 1.00 9.12 ? 213 PRO A CA 1 ATOM 1621 C C . PRO A 1 213 ? 60.293 24.082 19.706 1.00 9.58 ? 213 PRO A C 1 ATOM 1622 O O . PRO A 1 213 ? 60.247 25.196 19.193 1.00 10.83 ? 213 PRO A O 1 ATOM 1623 C CB . PRO A 1 213 ? 58.370 23.651 21.317 1.00 8.65 ? 213 PRO A CB 1 ATOM 1624 C CG . PRO A 1 213 ? 58.899 22.648 22.296 1.00 8.69 ? 213 PRO A CG 1 ATOM 1625 C CD . PRO A 1 213 ? 58.973 21.384 21.491 1.00 8.53 ? 213 PRO A CD 1 ATOM 1626 N N . GLY A 1 214 ? 61.434 23.495 20.081 1.00 9.53 ? 214 GLY A N 1 ATOM 1627 C CA . GLY A 1 214 ? 62.745 24.067 19.869 1.00 11.36 ? 214 GLY A CA 1 ATOM 1628 C C . GLY A 1 214 ? 63.638 23.008 19.255 1.00 13.31 ? 214 GLY A C 1 ATOM 1629 O O . GLY A 1 214 ? 63.372 22.405 18.265 1.00 17.78 ? 214 GLY A O 1 ATOM 1630 N N . SER A 1 215 ? 64.730 22.715 19.955 1.00 14.91 ? 215 SER A N 1 ATOM 1631 C CA . SER A 1 215 ? 65.611 21.590 19.511 1.00 17.54 ? 215 SER A CA 1 ATOM 1632 C C . SER A 1 215 ? 65.155 20.226 20.043 1.00 14.70 ? 215 SER A C 1 ATOM 1633 O O . SER A 1 215 ? 64.380 19.966 20.985 1.00 16.88 ? 215 SER A O 1 ATOM 1634 C CB . SER A 1 215 ? 67.009 21.971 19.955 1.00 19.31 ? 215 SER A CB 1 ATOM 1635 O OG A SER A 1 215 ? 67.050 22.119 21.339 0.52 15.50 ? 215 SER A OG 1 ATOM 1636 O OG B SER A 1 215 ? 67.229 23.358 20.096 0.52 36.12 ? 215 SER A OG 1 ATOM 1637 N N . ALA A 1 216 ? 65.670 19.147 19.450 1.00 18.62 ? 216 ALA A N 1 ATOM 1638 C CA . ALA A 1 216 ? 65.280 17.764 19.628 1.00 18.12 ? 216 ALA A CA 1 ATOM 1639 C C . ALA A 1 216 ? 66.141 17.024 20.645 1.00 21.97 ? 216 ALA A C 1 ATOM 1640 O O . ALA A 1 216 ? 65.851 15.835 20.871 1.00 30.27 ? 216 ALA A O 1 ATOM 1641 C CB . ALA A 1 216 ? 65.352 16.943 18.348 1.00 21.81 ? 216 ALA A CB 1 ATOM 1642 N N . ASN A 1 217 ? 67.114 17.690 21.228 1.00 21.52 ? 217 ASN A N 1 ATOM 1643 C CA . ASN A 1 217 ? 68.143 16.981 21.993 1.00 28.11 ? 217 ASN A CA 1 ATOM 1644 C C . ASN A 1 217 ? 68.250 17.426 23.448 1.00 24.00 ? 217 ASN A C 1 ATOM 1645 O O . ASN A 1 217 ? 69.312 17.264 23.993 1.00 36.02 ? 217 ASN A O 1 ATOM 1646 C CB . ASN A 1 217 ? 69.495 17.223 21.330 1.00 57.14 ? 217 ASN A CB 1 ATOM 1647 N N . ASN A 1 218 ? 67.176 17.872 24.070 1.00 16.31 ? 218 ASN A N 1 ATOM 1648 C CA . ASN A 1 218 ? 67.272 18.387 25.411 1.00 13.08 ? 218 ASN A CA 1 ATOM 1649 C C . ASN A 1 218 ? 66.984 17.255 26.434 1.00 11.64 ? 218 ASN A C 1 ATOM 1650 O O . ASN A 1 218 ? 65.982 16.551 26.345 1.00 12.36 ? 218 ASN A O 1 ATOM 1651 C CB . ASN A 1 218 ? 66.289 19.529 25.616 1.00 12.32 ? 218 ASN A CB 1 ATOM 1652 C CG . ASN A 1 218 ? 66.458 20.681 24.657 1.00 13.92 ? 218 ASN A CG 1 ATOM 1653 O OD1 . ASN A 1 218 ? 65.543 21.130 23.922 1.00 19.04 ? 218 ASN A OD1 1 ATOM 1654 N ND2 . ASN A 1 218 ? 67.648 21.189 24.560 1.00 13.32 ? 218 ASN A ND2 1 ATOM 1655 N N . THR A 1 219 ? 67.810 17.242 27.480 1.00 14.83 ? 219 THR A N 1 ATOM 1656 C CA . THR A 1 219 ? 67.566 16.404 28.632 1.00 12.78 ? 219 THR A CA 1 ATOM 1657 C C . THR A 1 219 ? 66.205 16.679 29.226 1.00 9.66 ? 219 THR A C 1 ATOM 1658 O O . THR A 1 219 ? 65.803 17.806 29.461 1.00 11.67 ? 219 THR A O 1 ATOM 1659 C CB . THR A 1 219 ? 68.667 16.599 29.692 1.00 16.66 ? 219 THR A CB 1 ATOM 1660 O OG1 . THR A 1 219 ? 69.934 16.306 29.058 1.00 19.89 ? 219 THR A OG1 1 ATOM 1661 C CG2 . THR A 1 219 ? 68.464 15.735 30.880 1.00 17.91 ? 219 THR A CG2 1 ATOM 1662 N N . GLY A 1 220 ? 65.494 15.580 29.512 1.00 9.48 ? 220 GLY A N 1 ATOM 1663 C CA . GLY A 1 220 ? 64.212 15.756 30.175 1.00 9.90 ? 220 GLY A CA 1 ATOM 1664 C C . GLY A 1 220 ? 63.024 16.056 29.279 1.00 8.44 ? 220 GLY A C 1 ATOM 1665 O O . GLY A 1 220 ? 61.924 16.256 29.844 1.00 8.64 ? 220 GLY A O 1 ATOM 1666 N N . GLU A 1 221 ? 63.206 16.084 27.986 1.00 8.81 ? 221 GLU A N 1 ATOM 1667 C CA . GLU A 1 221 ? 62.159 16.471 27.044 1.00 8.25 ? 221 GLU A CA 1 ATOM 1668 C C . GLU A 1 221 ? 61.917 15.323 26.086 1.00 8.10 ? 221 GLU A C 1 ATOM 1669 O O . GLU A 1 221 ? 62.872 14.636 25.675 1.00 9.66 ? 221 GLU A O 1 ATOM 1670 C CB . GLU A 1 221 ? 62.572 17.718 26.290 1.00 8.86 ? 221 GLU A CB 1 ATOM 1671 C CG . GLU A 1 221 ? 61.543 18.253 25.344 1.00 9.56 ? 221 GLU A CG 1 ATOM 1672 C CD . GLU A 1 221 ? 61.963 19.451 24.551 1.00 10.40 ? 221 GLU A CD 1 ATOM 1673 O OE1 . GLU A 1 221 ? 63.107 19.907 24.688 1.00 17.64 ? 221 GLU A OE1 1 ATOM 1674 O OE2 . GLU A 1 221 ? 61.165 20.026 23.791 1.00 10.34 ? 221 GLU A OE2 1 ATOM 1675 N N . VAL A 1 222 ? 60.665 15.150 25.637 1.00 7.87 ? 222 VAL A N 1 ATOM 1676 C CA . VAL A 1 222 ? 60.287 14.193 24.607 1.00 7.70 ? 222 VAL A CA 1 ATOM 1677 C C . VAL A 1 222 ? 59.427 14.939 23.576 1.00 7.82 ? 222 VAL A C 1 ATOM 1678 O O . VAL A 1 222 ? 59.015 16.070 23.786 1.00 8.07 ? 222 VAL A O 1 ATOM 1679 C CB . VAL A 1 222 ? 59.626 12.945 25.166 1.00 8.56 ? 222 VAL A CB 1 ATOM 1680 C CG1 . VAL A 1 222 ? 60.564 12.070 26.001 1.00 9.25 ? 222 VAL A CG1 1 ATOM 1681 C CG2 . VAL A 1 222 ? 58.391 13.289 25.971 1.00 8.96 ? 222 VAL A CG2 1 ATOM 1682 N N . ALA A 1 223 ? 59.104 14.256 22.465 1.00 8.04 ? 223 ALA A N 1 ATOM 1683 C CA . ALA A 1 223 ? 58.366 14.869 21.409 1.00 8.12 ? 223 ALA A CA 1 ATOM 1684 C C . ALA A 1 223 ? 56.998 15.348 21.902 1.00 7.34 ? 223 ALA A C 1 ATOM 1685 O O . ALA A 1 223 ? 56.309 14.691 22.664 1.00 8.25 ? 223 ALA A O 1 ATOM 1686 C CB . ALA A 1 223 ? 58.229 13.931 20.204 1.00 9.54 ? 223 ALA A CB 1 ATOM 1687 N N . SER A 1 224 ? 56.596 16.498 21.331 1.00 7.73 ? 224 SER A N 1 ATOM 1688 C CA . SER A 1 224 ? 55.352 17.209 21.636 1.00 7.68 ? 224 SER A CA 1 ATOM 1689 C C . SER A 1 224 ? 54.329 16.976 20.536 1.00 7.47 ? 224 SER A C 1 ATOM 1690 O O . SER A 1 224 ? 54.703 16.873 19.338 1.00 8.14 ? 224 SER A O 1 ATOM 1691 C CB . SER A 1 224 ? 55.717 18.711 21.657 1.00 7.91 ? 224 SER A CB 1 ATOM 1692 O OG . SER A 1 224 ? 54.524 19.466 21.631 1.00 7.77 ? 224 SER A OG 1 ATOM 1693 N N . PRO A 1 225 ? 53.046 16.970 20.891 1.00 7.57 ? 225 PRO A N 1 ATOM 1694 C CA . PRO A 1 225 ? 52.005 16.830 19.880 1.00 8.16 ? 225 PRO A CA 1 ATOM 1695 C C . PRO A 1 225 ? 51.618 18.143 19.197 1.00 7.91 ? 225 PRO A C 1 ATOM 1696 O O . PRO A 1 225 ? 50.878 18.130 18.214 1.00 9.35 ? 225 PRO A O 1 ATOM 1697 C CB . PRO A 1 225 ? 50.837 16.293 20.715 1.00 8.77 ? 225 PRO A CB 1 ATOM 1698 C CG . PRO A 1 225 ? 51.013 17.008 22.037 1.00 7.74 ? 225 PRO A CG 1 ATOM 1699 C CD . PRO A 1 225 ? 52.498 17.046 22.259 1.00 7.43 ? 225 PRO A CD 1 ATOM 1700 N N . LEU A 1 226 ? 52.058 19.231 19.792 1.00 8.10 ? 226 LEU A N 1 ATOM 1701 C CA . LEU A 1 226 ? 51.653 20.575 19.347 1.00 7.61 ? 226 LEU A CA 1 ATOM 1702 C C . LEU A 1 226 ? 52.863 21.492 19.298 1.00 7.13 ? 226 LEU A C 1 ATOM 1703 O O . LEU A 1 226 ? 52.953 22.499 19.972 1.00 8.08 ? 226 LEU A O 1 ATOM 1704 C CB . LEU A 1 226 ? 50.564 21.140 20.258 1.00 9.02 ? 226 LEU A CB 1 ATOM 1705 C CG . LEU A 1 226 ? 49.257 20.320 20.282 1.00 10.77 ? 226 LEU A CG 1 ATOM 1706 C CD1 . LEU A 1 226 ? 48.438 20.638 21.532 1.00 18.71 ? 226 LEU A CD1 1 ATOM 1707 C CD2 . LEU A 1 226 ? 48.429 20.507 19.041 1.00 11.23 ? 226 LEU A CD2 1 ATOM 1708 N N . PRO A 1 227 ? 53.876 21.127 18.479 1.00 7.69 ? 227 PRO A N 1 ATOM 1709 C CA . PRO A 1 227 ? 55.176 21.798 18.570 1.00 7.99 ? 227 PRO A CA 1 ATOM 1710 C C . PRO A 1 227 ? 55.245 23.157 17.862 1.00 8.30 ? 227 PRO A C 1 ATOM 1711 O O . PRO A 1 227 ? 56.270 23.841 17.984 1.00 9.05 ? 227 PRO A O 1 ATOM 1712 C CB . PRO A 1 227 ? 56.118 20.841 17.880 1.00 9.31 ? 227 PRO A CB 1 ATOM 1713 C CG . PRO A 1 227 ? 55.254 20.167 16.825 1.00 9.30 ? 227 PRO A CG 1 ATOM 1714 C CD . PRO A 1 227 ? 53.913 20.009 17.548 1.00 8.37 ? 227 PRO A CD 1 ATOM 1715 N N . LEU A 1 228 ? 54.327 23.586 17.070 1.00 8.45 ? 228 LEU A N 1 ATOM 1716 C CA . LEU A 1 228 ? 54.330 24.755 16.283 1.00 8.25 ? 228 LEU A CA 1 ATOM 1717 C C . LEU A 1 228 ? 54.360 25.983 17.187 1.00 8.47 ? 228 LEU A C 1 ATOM 1718 O O . LEU A 1 228 ? 53.510 26.149 18.048 1.00 9.31 ? 228 LEU A O 1 ATOM 1719 C CB . LEU A 1 228 ? 53.095 24.867 15.345 1.00 8.95 ? 228 LEU A CB 1 ATOM 1720 C CG . LEU A 1 228 ? 53.040 26.131 14.521 1.00 9.57 ? 228 LEU A CG 1 ATOM 1721 C CD1 . LEU A 1 228 ? 54.189 26.239 13.528 1.00 12.38 ? 228 LEU A CD1 1 ATOM 1722 C CD2 . LEU A 1 228 ? 51.688 26.187 13.822 1.00 12.08 ? 228 LEU A CD2 1 ATOM 1723 N N . GLY A 1 229 ? 55.328 26.844 16.907 1.00 9.30 ? 229 GLY A N 1 ATOM 1724 C CA . GLY A 1 229 ? 55.389 28.148 17.505 1.00 10.44 ? 229 GLY A CA 1 ATOM 1725 C C . GLY A 1 229 ? 55.717 29.201 16.472 1.00 10.41 ? 229 GLY A C 1 ATOM 1726 O O . GLY A 1 229 ? 56.127 28.882 15.341 1.00 11.70 ? 229 GLY A O 1 ATOM 1727 N N . SER A 1 230 ? 55.448 30.452 16.813 1.00 9.61 ? 230 SER A N 1 ATOM 1728 C CA . SER A 1 230 ? 55.723 31.584 15.914 1.00 10.24 ? 230 SER A CA 1 ATOM 1729 C C . SER A 1 230 ? 55.795 32.814 16.793 1.00 10.10 ? 230 SER A C 1 ATOM 1730 O O . SER A 1 230 ? 54.993 33.033 17.677 1.00 10.38 ? 230 SER A O 1 ATOM 1731 C CB . SER A 1 230 ? 54.567 31.734 14.915 1.00 12.93 ? 230 SER A CB 1 ATOM 1732 O OG . SER A 1 230 ? 54.814 32.785 14.008 1.00 14.45 ? 230 SER A OG 1 ATOM 1733 N N . GLY A 1 231 ? 56.766 33.662 16.517 1.00 12.20 ? 231 GLY A N 1 ATOM 1734 C CA . GLY A 1 231 ? 56.920 34.844 17.282 1.00 12.99 ? 231 GLY A CA 1 ATOM 1735 C C . GLY A 1 231 ? 57.108 34.511 18.755 1.00 12.57 ? 231 GLY A C 1 ATOM 1736 O O . GLY A 1 231 ? 57.907 33.639 19.091 1.00 13.69 ? 231 GLY A O 1 ATOM 1737 N N . SER A 1 232 ? 56.369 35.161 19.640 1.00 12.55 ? 232 SER A N 1 ATOM 1738 C CA . SER A 1 232 ? 56.409 34.909 21.064 1.00 12.38 ? 232 SER A CA 1 ATOM 1739 C C . SER A 1 232 ? 55.635 33.679 21.499 1.00 10.81 ? 232 SER A C 1 ATOM 1740 O O . SER A 1 232 ? 55.734 33.220 22.670 1.00 11.12 ? 232 SER A O 1 ATOM 1741 C CB . SER A 1 232 ? 55.884 36.115 21.871 1.00 17.22 ? 232 SER A CB 1 ATOM 1742 O OG A SER A 1 232 ? 56.693 37.262 21.582 0.52 16.35 ? 232 SER A OG 1 ATOM 1743 O OG B SER A 1 232 ? 55.979 37.318 21.157 0.52 35.43 ? 232 SER A OG 1 ATOM 1744 N N . ASP A 1 233 ? 54.824 33.179 20.580 1.00 9.74 ? 233 ASP A N 1 ATOM 1745 C CA . ASP A 1 233 ? 53.900 32.075 20.892 1.00 8.84 ? 233 ASP A CA 1 ATOM 1746 C C . ASP A 1 233 ? 54.610 30.752 20.704 1.00 8.81 ? 233 ASP A C 1 ATOM 1747 O O . ASP A 1 233 ? 54.475 30.055 19.679 1.00 9.94 ? 233 ASP A O 1 ATOM 1748 C CB . ASP A 1 233 ? 52.649 32.165 20.023 1.00 9.17 ? 233 ASP A CB 1 ATOM 1749 C CG . ASP A 1 233 ? 51.776 33.367 20.267 1.00 9.96 ? 233 ASP A CG 1 ATOM 1750 O OD1 . ASP A 1 233 ? 51.948 34.076 21.259 1.00 10.89 ? 233 ASP A OD1 1 ATOM 1751 O OD2 . ASP A 1 233 ? 50.886 33.599 19.430 1.00 13.94 ? 233 ASP A OD2 1 ATOM 1752 N N . THR A 1 234 ? 55.372 30.348 21.717 1.00 8.08 ? 234 THR A N 1 ATOM 1753 C CA . THR A 1 234 ? 56.140 29.132 21.657 1.00 8.35 ? 234 THR A CA 1 ATOM 1754 C C . THR A 1 234 ? 55.240 27.906 21.648 1.00 7.49 ? 234 THR A C 1 ATOM 1755 O O . THR A 1 234 ? 54.185 27.878 22.286 1.00 8.44 ? 234 THR A O 1 ATOM 1756 C CB . THR A 1 234 ? 57.046 29.074 22.913 1.00 8.93 ? 234 THR A CB 1 ATOM 1757 O OG1 . THR A 1 234 ? 57.765 30.300 22.932 1.00 10.80 ? 234 THR A OG1 1 ATOM 1758 C CG2 . THR A 1 234 ? 58.032 27.901 22.904 1.00 8.74 ? 234 THR A CG2 1 ATOM 1759 N N . GLY A 1 235 ? 55.669 26.864 20.920 1.00 8.00 ? 235 GLY A N 1 ATOM 1760 C CA . GLY A 1 235 ? 54.967 25.603 20.871 1.00 8.04 ? 235 GLY A CA 1 ATOM 1761 C C . GLY A 1 235 ? 54.985 24.878 22.213 1.00 7.23 ? 235 GLY A C 1 ATOM 1762 O O . GLY A 1 235 ? 55.753 25.145 23.105 1.00 7.55 ? 235 GLY A O 1 ATOM 1763 N N . GLU A 1 236 ? 54.063 23.898 22.316 1.00 6.81 ? 236 GLU A N 1 ATOM 1764 C CA . GLU A 1 236 ? 53.998 23.040 23.477 1.00 6.82 ? 236 GLU A CA 1 ATOM 1765 C C . GLU A 1 236 ? 55.230 22.183 23.639 1.00 6.91 ? 236 GLU A C 1 ATOM 1766 O O . GLU A 1 236 ? 55.755 21.601 22.668 1.00 7.32 ? 236 GLU A O 1 ATOM 1767 C CB . GLU A 1 236 ? 52.747 22.158 23.367 1.00 7.08 ? 236 GLU A CB 1 ATOM 1768 C CG . GLU A 1 236 ? 52.581 21.163 24.511 1.00 7.18 ? 236 GLU A CG 1 ATOM 1769 C CD . GLU A 1 236 ? 51.227 20.485 24.482 1.00 7.05 ? 236 GLU A CD 1 ATOM 1770 O OE1 . GLU A 1 236 ? 51.091 19.264 24.390 1.00 7.95 ? 236 GLU A OE1 1 ATOM 1771 O OE2 . GLU A 1 236 ? 50.230 21.308 24.570 1.00 7.38 ? 236 GLU A OE2 1 ATOM 1772 N N . MET A 1 237 ? 55.690 22.071 24.891 1.00 6.80 ? 237 MET A N 1 ATOM 1773 C CA . MET A 1 237 ? 56.754 21.170 25.287 1.00 6.59 ? 237 MET A CA 1 ATOM 1774 C C . MET A 1 237 ? 56.163 19.992 26.101 1.00 6.07 ? 237 MET A C 1 ATOM 1775 O O . MET A 1 237 ? 55.206 20.183 26.834 1.00 6.41 ? 237 MET A O 1 ATOM 1776 C CB . MET A 1 237 ? 57.760 21.918 26.150 1.00 6.95 ? 237 MET A CB 1 ATOM 1777 C CG . MET A 1 237 ? 58.915 21.048 26.632 1.00 8.36 ? 237 MET A CG 1 ATOM 1778 S SD . MET A 1 237 ? 60.200 21.957 27.494 1.00 9.07 ? 237 MET A SD 1 ATOM 1779 C CE . MET A 1 237 ? 60.897 22.878 26.150 1.00 9.47 ? 237 MET A CE 1 ATOM 1780 N N . ARG A 1 238 ? 56.764 18.835 25.938 1.00 6.38 ? 238 ARG A N 1 ATOM 1781 C CA . ARG A 1 238 ? 56.453 17.668 26.722 1.00 6.53 ? 238 ARG A CA 1 ATOM 1782 C C . ARG A 1 238 ? 57.655 17.223 27.522 1.00 6.52 ? 238 ARG A C 1 ATOM 1783 O O . ARG A 1 238 ? 58.734 16.938 26.972 1.00 7.39 ? 238 ARG A O 1 ATOM 1784 C CB . ARG A 1 238 ? 55.942 16.498 25.858 1.00 6.49 ? 238 ARG A CB 1 ATOM 1785 C CG . ARG A 1 238 ? 55.470 15.320 26.692 1.00 6.72 ? 238 ARG A CG 1 ATOM 1786 C CD . ARG A 1 238 ? 54.900 14.192 25.841 1.00 6.90 ? 238 ARG A CD 1 ATOM 1787 N NE . ARG A 1 238 ? 53.673 14.590 25.145 1.00 6.97 ? 238 ARG A NE 1 ATOM 1788 C CZ . ARG A 1 238 ? 53.061 13.823 24.274 1.00 6.58 ? 238 ARG A CZ 1 ATOM 1789 N NH1 . ARG A 1 238 ? 53.616 12.713 23.825 1.00 7.38 ? 238 ARG A NH1 1 ATOM 1790 N NH2 . ARG A 1 238 ? 51.905 14.213 23.765 1.00 7.33 ? 238 ARG A NH2 1 ATOM 1791 N N . LEU A 1 239 ? 57.470 17.113 28.845 1.00 6.50 ? 239 LEU A N 1 ATOM 1792 C CA . LEU A 1 239 ? 58.485 16.594 29.713 1.00 6.59 ? 239 LEU A CA 1 ATOM 1793 C C . LEU A 1 239 ? 58.509 15.063 29.675 1.00 6.89 ? 239 LEU A C 1 ATOM 1794 O O . LEU A 1 239 ? 57.474 14.394 29.652 1.00 7.29 ? 239 LEU A O 1 ATOM 1795 C CB . LEU A 1 239 ? 58.245 17.035 31.151 1.00 6.77 ? 239 LEU A CB 1 ATOM 1796 C CG . LEU A 1 239 ? 58.257 18.537 31.425 1.00 6.94 ? 239 LEU A CG 1 ATOM 1797 C CD1 . LEU A 1 239 ? 58.030 18.767 32.891 1.00 8.46 ? 239 LEU A CD1 1 ATOM 1798 C CD2 . LEU A 1 239 ? 59.511 19.203 30.901 1.00 7.57 ? 239 LEU A CD2 1 ATOM 1799 N N . GLN A 1 240 ? 59.720 14.507 29.751 1.00 7.38 ? 240 GLN A N 1 ATOM 1800 C CA . GLN A 1 240 ? 59.852 13.050 29.852 1.00 7.30 ? 240 GLN A CA 1 ATOM 1801 C C . GLN A 1 240 ? 59.129 12.510 31.060 1.00 6.99 ? 240 GLN A C 1 ATOM 1802 O O . GLN A 1 240 ? 58.551 11.413 30.969 1.00 7.31 ? 240 GLN A O 1 ATOM 1803 C CB . GLN A 1 240 ? 61.329 12.653 29.883 1.00 8.26 ? 240 GLN A CB 1 ATOM 1804 C CG . GLN A 1 240 ? 61.591 11.147 29.913 1.00 9.62 ? 240 GLN A CG 1 ATOM 1805 C CD . GLN A 1 240 ? 61.461 10.341 31.208 1.00 9.13 ? 240 GLN A CD 1 ATOM 1806 O OE1 . GLN A 1 240 ? 61.198 9.120 31.167 1.00 10.59 ? 240 GLN A OE1 1 ATOM 1807 N NE2 . GLN A 1 240 ? 61.638 10.982 32.403 1.00 9.18 ? 240 GLN A NE2 1 ATOM 1808 N N . SER A 1 241 ? 59.167 13.229 32.177 1.00 6.61 ? 241 SER A N 1 ATOM 1809 C CA . SER A 1 241 ? 58.562 12.725 33.399 1.00 6.91 ? 241 SER A CA 1 ATOM 1810 C C . SER A 1 241 ? 57.059 12.637 33.257 1.00 6.84 ? 241 SER A C 1 ATOM 1811 O O . SER A 1 241 ? 56.425 11.640 33.727 1.00 7.08 ? 241 SER A O 1 ATOM 1812 C CB . SER A 1 241 ? 58.965 13.630 34.570 1.00 7.44 ? 241 SER A CB 1 ATOM 1813 O OG . SER A 1 241 ? 58.840 14.999 34.191 1.00 7.58 ? 241 SER A OG 1 ATOM 1814 N N . ASP A 1 242 ? 56.389 13.642 32.694 1.00 6.96 ? 242 ASP A N 1 ATOM 1815 C CA . ASP A 1 242 ? 54.952 13.634 32.510 1.00 6.71 ? 242 ASP A CA 1 ATOM 1816 C C . ASP A 1 242 ? 54.566 12.478 31.570 1.00 6.65 ? 242 ASP A C 1 ATOM 1817 O O . ASP A 1 242 ? 53.631 11.730 31.808 1.00 6.88 ? 242 ASP A O 1 ATOM 1818 C CB . ASP A 1 242 ? 54.433 14.960 31.998 1.00 6.91 ? 242 ASP A CB 1 ATOM 1819 C CG . ASP A 1 242 ? 54.489 16.064 33.018 1.00 7.56 ? 242 ASP A CG 1 ATOM 1820 O OD1 . ASP A 1 242 ? 54.408 17.268 32.630 1.00 7.84 ? 242 ASP A OD1 1 ATOM 1821 O OD2 . ASP A 1 242 ? 54.520 15.753 34.242 1.00 8.25 ? 242 ASP A OD2 1 ATOM 1822 N N . PHE A 1 243 ? 55.302 12.362 30.447 1.00 6.98 ? 243 PHE A N 1 ATOM 1823 C CA . PHE A 1 243 ? 55.102 11.260 29.519 1.00 6.86 ? 243 PHE A CA 1 ATOM 1824 C C . PHE A 1 243 ? 55.211 9.907 30.240 1.00 6.26 ? 243 PHE A C 1 ATOM 1825 O O . PHE A 1 243 ? 54.406 9.027 30.053 1.00 6.96 ? 243 PHE A O 1 ATOM 1826 C CB . PHE A 1 243 ? 56.117 11.392 28.377 1.00 7.35 ? 243 PHE A CB 1 ATOM 1827 C CG . PHE A 1 243 ? 56.082 10.271 27.340 1.00 7.72 ? 243 PHE A CG 1 ATOM 1828 C CD1 . PHE A 1 243 ? 57.000 9.238 27.439 1.00 10.15 ? 243 PHE A CD1 1 ATOM 1829 C CD2 . PHE A 1 243 ? 55.120 10.238 26.355 1.00 8.68 ? 243 PHE A CD2 1 ATOM 1830 C CE1 . PHE A 1 243 ? 56.994 8.191 26.537 1.00 11.36 ? 243 PHE A CE1 1 ATOM 1831 C CE2 . PHE A 1 243 ? 55.134 9.236 25.408 1.00 9.48 ? 243 PHE A CE2 1 ATOM 1832 C CZ . PHE A 1 243 ? 56.063 8.208 25.493 1.00 11.51 ? 243 PHE A CZ 1 ATOM 1833 N N . ALA A 1 244 ? 56.300 9.755 31.020 1.00 6.88 ? 244 ALA A N 1 ATOM 1834 C CA . ALA A 1 244 ? 56.537 8.489 31.673 1.00 6.87 ? 244 ALA A CA 1 ATOM 1835 C C . ALA A 1 244 ? 55.429 8.161 32.654 1.00 6.58 ? 244 ALA A C 1 ATOM 1836 O O . ALA A 1 244 ? 54.948 7.025 32.737 1.00 7.20 ? 244 ALA A O 1 ATOM 1837 C CB . ALA A 1 244 ? 57.915 8.467 32.361 1.00 8.17 ? 244 ALA A CB 1 ATOM 1838 N N . LEU A 1 245 ? 54.973 9.158 33.426 1.00 6.71 ? 245 LEU A N 1 ATOM 1839 C CA . LEU A 1 245 ? 53.867 8.984 34.358 1.00 6.57 ? 245 LEU A CA 1 ATOM 1840 C C . LEU A 1 245 ? 52.568 8.600 33.661 1.00 6.84 ? 245 LEU A C 1 ATOM 1841 O O . LEU A 1 245 ? 51.782 7.794 34.138 1.00 7.72 ? 245 LEU A O 1 ATOM 1842 C CB . LEU A 1 245 ? 53.691 10.216 35.216 1.00 7.12 ? 245 LEU A CB 1 ATOM 1843 C CG . LEU A 1 245 ? 54.817 10.412 36.282 1.00 7.24 ? 245 LEU A CG 1 ATOM 1844 C CD1 . LEU A 1 245 ? 54.830 11.843 36.763 1.00 8.84 ? 245 LEU A CD1 1 ATOM 1845 C CD2 . LEU A 1 245 ? 54.627 9.467 37.465 1.00 8.05 ? 245 LEU A CD2 1 ATOM 1846 N N . ALA A 1 246 ? 52.333 9.204 32.500 1.00 6.82 ? 246 ALA A N 1 ATOM 1847 C CA . ALA A 1 246 ? 51.112 8.929 31.738 1.00 6.82 ? 246 ALA A CA 1 ATOM 1848 C C . ALA A 1 246 ? 51.071 7.481 31.242 1.00 7.07 ? 246 ALA A C 1 ATOM 1849 O O . ALA A 1 246 ? 49.991 6.958 30.998 1.00 8.23 ? 246 ALA A O 1 ATOM 1850 C CB . ALA A 1 246 ? 51.005 9.888 30.590 1.00 7.32 ? 246 ALA A CB 1 ATOM 1851 N N . HIS A 1 247 ? 52.222 6.833 31.099 1.00 7.01 ? 247 HIS A N 1 ATOM 1852 C CA . HIS A 1 247 ? 52.279 5.486 30.555 1.00 7.64 ? 247 HIS A CA 1 ATOM 1853 C C . HIS A 1 247 ? 52.683 4.398 31.522 1.00 7.09 ? 247 HIS A C 1 ATOM 1854 O O . HIS A 1 247 ? 52.502 3.244 31.216 1.00 10.46 ? 247 HIS A O 1 ATOM 1855 C CB . HIS A 1 247 ? 53.175 5.440 29.303 1.00 7.64 ? 247 HIS A CB 1 ATOM 1856 C CG . HIS A 1 247 ? 52.663 6.342 28.236 1.00 7.58 ? 247 HIS A CG 1 ATOM 1857 N ND1 . HIS A 1 247 ? 51.447 6.098 27.614 1.00 8.69 ? 247 HIS A ND1 1 ATOM 1858 C CD2 . HIS A 1 247 ? 53.116 7.465 27.684 1.00 7.56 ? 247 HIS A CD2 1 ATOM 1859 C CE1 . HIS A 1 247 ? 51.211 7.047 26.749 1.00 8.48 ? 247 HIS A CE1 1 ATOM 1860 N NE2 . HIS A 1 247 ? 52.179 7.917 26.753 1.00 8.05 ? 247 HIS A NE2 1 ATOM 1861 N N . ASP A 1 248 ? 53.227 4.747 32.670 1.00 6.97 ? 248 ASP A N 1 ATOM 1862 C CA . ASP A 1 248 ? 53.698 3.730 33.607 1.00 6.92 ? 248 ASP A CA 1 ATOM 1863 C C . ASP A 1 248 ? 52.501 2.986 34.211 1.00 7.06 ? 248 ASP A C 1 ATOM 1864 O O . ASP A 1 248 ? 51.527 3.633 34.566 1.00 7.24 ? 248 ASP A O 1 ATOM 1865 C CB . ASP A 1 248 ? 54.550 4.385 34.672 1.00 7.39 ? 248 ASP A CB 1 ATOM 1866 C CG . ASP A 1 248 ? 55.266 3.386 35.584 1.00 6.89 ? 248 ASP A CG 1 ATOM 1867 O OD1 . ASP A 1 248 ? 54.579 2.864 36.501 1.00 7.83 ? 248 ASP A OD1 1 ATOM 1868 O OD2 . ASP A 1 248 ? 56.467 3.155 35.421 1.00 7.90 ? 248 ASP A OD2 1 ATOM 1869 N N . PRO A 1 249 ? 52.589 1.661 34.405 1.00 7.74 ? 249 PRO A N 1 ATOM 1870 C CA . PRO A 1 249 ? 51.446 0.950 35.023 1.00 8.40 ? 249 PRO A CA 1 ATOM 1871 C C . PRO A 1 249 ? 51.020 1.470 36.377 1.00 7.78 ? 249 PRO A C 1 ATOM 1872 O O . PRO A 1 249 ? 49.852 1.276 36.768 1.00 8.26 ? 249 PRO A O 1 ATOM 1873 C CB . PRO A 1 249 ? 51.916 -0.489 35.057 1.00 10.30 ? 249 PRO A CB 1 ATOM 1874 C CG . PRO A 1 249 ? 52.927 -0.577 33.956 1.00 10.51 ? 249 PRO A CG 1 ATOM 1875 C CD . PRO A 1 249 ? 53.646 0.745 33.960 1.00 8.84 ? 249 PRO A CD 1 ATOM 1876 N N . ARG A 1 250 ? 51.931 2.065 37.122 1.00 7.03 ? 250 ARG A N 1 ATOM 1877 C CA . ARG A 1 250 ? 51.585 2.564 38.469 1.00 7.23 ? 250 ARG A CA 1 ATOM 1878 C C . ARG A 1 250 ? 50.661 3.782 38.403 1.00 7.74 ? 250 ARG A C 1 ATOM 1879 O O . ARG A 1 250 ? 49.914 4.047 39.328 1.00 10.60 ? 250 ARG A O 1 ATOM 1880 C CB . ARG A 1 250 ? 52.850 2.888 39.234 1.00 7.27 ? 250 ARG A CB 1 ATOM 1881 C CG . ARG A 1 250 ? 53.619 1.623 39.566 1.00 7.59 ? 250 ARG A CG 1 ATOM 1882 C CD . ARG A 1 250 ? 55.006 1.911 40.096 1.00 7.95 ? 250 ARG A CD 1 ATOM 1883 N NE . ARG A 1 250 ? 55.851 2.330 38.989 1.00 7.12 ? 250 ARG A NE 1 ATOM 1884 C CZ . ARG A 1 250 ? 57.167 2.397 39.045 1.00 6.64 ? 250 ARG A CZ 1 ATOM 1885 N NH1 . ARG A 1 250 ? 57.805 2.210 40.206 1.00 7.88 ? 250 ARG A NH1 1 ATOM 1886 N NH2 . ARG A 1 250 ? 57.890 2.622 37.937 1.00 7.71 ? 250 ARG A NH2 1 ATOM 1887 N N . THR A 1 251 ? 50.761 4.575 37.334 1.00 7.02 ? 251 THR A N 1 ATOM 1888 C CA . THR A 1 251 ? 50.167 5.897 37.285 1.00 6.99 ? 251 THR A CA 1 ATOM 1889 C C . THR A 1 251 ? 49.296 6.150 36.084 1.00 6.78 ? 251 THR A C 1 ATOM 1890 O O . THR A 1 251 ? 48.583 7.154 36.056 1.00 7.06 ? 251 THR A O 1 ATOM 1891 C CB . THR A 1 251 ? 51.302 6.934 37.392 1.00 6.73 ? 251 THR A CB 1 ATOM 1892 O OG1 . THR A 1 251 ? 52.325 6.637 36.472 1.00 7.24 ? 251 THR A OG1 1 ATOM 1893 C CG2 . THR A 1 251 ? 51.858 7.015 38.802 1.00 8.23 ? 251 THR A CG2 1 ATOM 1894 N N . ALA A 1 252 ? 49.276 5.262 35.084 1.00 7.19 ? 252 ALA A N 1 ATOM 1895 C CA . ALA A 1 252 ? 48.566 5.529 33.829 1.00 7.37 ? 252 ALA A CA 1 ATOM 1896 C C . ALA A 1 252 ? 47.079 5.723 34.042 1.00 6.79 ? 252 ALA A C 1 ATOM 1897 O O . ALA A 1 252 ? 46.459 6.595 33.444 1.00 7.12 ? 252 ALA A O 1 ATOM 1898 C CB . ALA A 1 252 ? 48.823 4.440 32.836 1.00 7.99 ? 252 ALA A CB 1 ATOM 1899 N N . CYS A 1 253 ? 46.457 4.849 34.834 1.00 7.38 ? 253 CYS A N 1 ATOM 1900 C CA . CYS A 1 253 ? 45.034 5.008 35.071 1.00 7.76 ? 253 CYS A CA 1 ATOM 1901 C C . CYS A 1 253 ? 44.691 6.268 35.854 1.00 6.91 ? 253 CYS A C 1 ATOM 1902 O O . CYS A 1 253 ? 43.685 6.927 35.549 1.00 7.74 ? 253 CYS A O 1 ATOM 1903 C CB . CYS A 1 253 ? 44.417 3.789 35.729 1.00 8.81 ? 253 CYS A CB 1 ATOM 1904 S SG . CYS A 1 253 ? 44.389 2.328 34.618 1.00 10.71 ? 253 CYS A SG 1 ATOM 1905 N N . ILE A 1 254 ? 45.532 6.673 36.781 1.00 7.01 ? 254 ILE A N 1 ATOM 1906 C CA . ILE A 1 254 ? 45.338 7.906 37.534 1.00 7.35 ? 254 ILE A CA 1 ATOM 1907 C C . ILE A 1 254 ? 45.433 9.089 36.561 1.00 6.80 ? 254 ILE A C 1 ATOM 1908 O O . ILE A 1 254 ? 44.616 10.021 36.577 1.00 7.22 ? 254 ILE A O 1 ATOM 1909 C CB . ILE A 1 254 ? 46.336 8.034 38.690 1.00 7.65 ? 254 ILE A CB 1 ATOM 1910 C CG1 . ILE A 1 254 ? 46.131 6.911 39.706 1.00 8.42 ? 254 ILE A CG1 1 ATOM 1911 C CG2 . ILE A 1 254 ? 46.184 9.411 39.336 1.00 8.07 ? 254 ILE A CG2 1 ATOM 1912 C CD1 . ILE A 1 254 ? 47.315 6.684 40.615 1.00 9.84 ? 254 ILE A CD1 1 ATOM 1913 N N . TRP A 1 255 ? 46.456 9.079 35.700 1.00 6.72 ? 255 TRP A N 1 ATOM 1914 C CA . TRP A 1 255 ? 46.649 10.140 34.725 1.00 6.40 ? 255 TRP A CA 1 ATOM 1915 C C . TRP A 1 255 ? 45.420 10.275 33.835 1.00 6.53 ? 255 TRP A C 1 ATOM 1916 O O . TRP A 1 255 ? 44.856 11.366 33.650 1.00 6.82 ? 255 TRP A O 1 ATOM 1917 C CB . TRP A 1 255 ? 47.944 9.828 33.893 1.00 6.62 ? 255 TRP A CB 1 ATOM 1918 C CG . TRP A 1 255 ? 48.284 10.936 32.972 1.00 6.46 ? 255 TRP A CG 1 ATOM 1919 C CD1 . TRP A 1 255 ? 47.727 11.223 31.749 1.00 6.25 ? 255 TRP A CD1 1 ATOM 1920 C CD2 . TRP A 1 255 ? 49.243 11.985 33.206 1.00 6.57 ? 255 TRP A CD2 1 ATOM 1921 N NE1 . TRP A 1 255 ? 48.235 12.366 31.259 1.00 6.50 ? 255 TRP A NE1 1 ATOM 1922 C CE2 . TRP A 1 255 ? 49.164 12.887 32.131 1.00 6.47 ? 255 TRP A CE2 1 ATOM 1923 C CE3 . TRP A 1 255 ? 50.146 12.272 34.253 1.00 7.05 ? 255 TRP A CE3 1 ATOM 1924 C CZ2 . TRP A 1 255 ? 49.923 14.064 32.090 1.00 6.92 ? 255 TRP A CZ2 1 ATOM 1925 C CZ3 . TRP A 1 255 ? 50.891 13.435 34.184 1.00 7.63 ? 255 TRP A CZ3 1 ATOM 1926 C CH2 . TRP A 1 255 ? 50.773 14.316 33.109 1.00 7.48 ? 255 TRP A CH2 1 ATOM 1927 N N . GLN A 1 256 ? 44.999 9.155 33.255 1.00 6.82 ? 256 GLN A N 1 ATOM 1928 C CA . GLN A 1 256 ? 43.846 9.183 32.367 1.00 6.82 ? 256 GLN A CA 1 ATOM 1929 C C . GLN A 1 256 ? 42.589 9.627 33.100 1.00 6.81 ? 256 GLN A C 1 ATOM 1930 O O . GLN A 1 256 ? 41.705 10.260 32.514 1.00 7.26 ? 256 GLN A O 1 ATOM 1931 C CB . GLN A 1 256 ? 43.634 7.813 31.698 1.00 7.67 ? 256 GLN A CB 1 ATOM 1932 C CG . GLN A 1 256 ? 42.539 7.911 30.623 1.00 9.13 ? 256 GLN A CG 1 ATOM 1933 C CD . GLN A 1 256 ? 42.280 6.547 30.014 1.00 8.82 ? 256 GLN A CD 1 ATOM 1934 O OE1 . GLN A 1 256 ? 43.073 6.009 29.272 1.00 9.54 ? 256 GLN A OE1 1 ATOM 1935 N NE2 . GLN A 1 256 ? 41.144 5.985 30.388 1.00 12.24 ? 256 GLN A NE2 1 ATOM 1936 N N . GLY A 1 257 ? 42.484 9.247 34.368 1.00 7.19 ? 257 GLY A N 1 ATOM 1937 C CA . GLY A 1 257 ? 41.301 9.526 35.154 1.00 7.53 ? 257 GLY A CA 1 ATOM 1938 C C . GLY A 1 257 ? 41.029 10.996 35.372 1.00 7.49 ? 257 GLY A C 1 ATOM 1939 O O . GLY A 1 257 ? 39.914 11.356 35.767 1.00 8.27 ? 257 GLY A O 1 ATOM 1940 N N . PHE A 1 258 ? 42.002 11.880 35.124 1.00 6.65 ? 258 PHE A N 1 ATOM 1941 C CA . PHE A 1 258 ? 41.760 13.288 35.195 1.00 6.39 ? 258 PHE A CA 1 ATOM 1942 C C . PHE A 1 258 ? 41.322 13.907 33.894 1.00 6.27 ? 258 PHE A C 1 ATOM 1943 O O . PHE A 1 258 ? 40.828 15.037 33.872 1.00 7.13 ? 258 PHE A O 1 ATOM 1944 C CB . PHE A 1 258 ? 42.961 14.074 35.772 1.00 6.77 ? 258 PHE A CB 1 ATOM 1945 C CG . PHE A 1 258 ? 43.214 13.743 37.231 1.00 6.70 ? 258 PHE A CG 1 ATOM 1946 C CD1 . PHE A 1 258 ? 44.504 13.421 37.670 1.00 6.82 ? 258 PHE A CD1 1 ATOM 1947 C CD2 . PHE A 1 258 ? 42.201 13.803 38.173 1.00 7.37 ? 258 PHE A CD2 1 ATOM 1948 C CE1 . PHE A 1 258 ? 44.770 13.194 38.990 1.00 7.93 ? 258 PHE A CE1 1 ATOM 1949 C CE2 . PHE A 1 258 ? 42.462 13.523 39.510 1.00 8.05 ? 258 PHE A CE2 1 ATOM 1950 C CZ . PHE A 1 258 ? 43.741 13.245 39.946 1.00 7.21 ? 258 PHE A CZ 1 ATOM 1951 N N . VAL A 1 259 ? 41.458 13.202 32.753 1.00 6.71 ? 259 VAL A N 1 ATOM 1952 C CA . VAL A 1 259 ? 41.047 13.756 31.470 1.00 6.91 ? 259 VAL A CA 1 ATOM 1953 C C . VAL A 1 259 ? 39.542 14.032 31.517 1.00 6.92 ? 259 VAL A C 1 ATOM 1954 O O . VAL A 1 259 ? 38.736 13.114 31.752 1.00 7.33 ? 259 VAL A O 1 ATOM 1955 C CB . VAL A 1 259 ? 41.365 12.772 30.317 1.00 7.32 ? 259 VAL A CB 1 ATOM 1956 C CG1 . VAL A 1 259 ? 40.804 13.318 29.004 1.00 8.42 ? 259 VAL A CG1 1 ATOM 1957 C CG2 . VAL A 1 259 ? 42.880 12.528 30.207 1.00 7.74 ? 259 VAL A CG2 1 ATOM 1958 N N . ASN A 1 260 ? 39.149 15.260 31.208 1.00 7.13 ? 260 ASN A N 1 ATOM 1959 C CA . ASN A 1 260 ? 37.718 15.612 31.171 1.00 7.41 ? 260 ASN A CA 1 ATOM 1960 C C . ASN A 1 260 ? 37.048 15.415 32.521 1.00 7.34 ? 260 ASN A C 1 ATOM 1961 O O . ASN A 1 260 ? 35.832 15.339 32.564 1.00 8.57 ? 260 ASN A O 1 ATOM 1962 C CB . ASN A 1 260 ? 36.953 14.902 30.104 1.00 8.13 ? 260 ASN A CB 1 ATOM 1963 C CG . ASN A 1 260 ? 35.659 15.598 29.784 1.00 9.51 ? 260 ASN A CG 1 ATOM 1964 O OD1 . ASN A 1 260 ? 35.632 16.828 29.658 1.00 10.12 ? 260 ASN A OD1 1 ATOM 1965 N ND2 . ASN A 1 260 ? 34.616 14.825 29.513 1.00 10.64 ? 260 ASN A ND2 1 ATOM 1966 N N . GLU A 1 261 ? 37.796 15.492 33.627 1.00 6.99 ? 261 GLU A N 1 ATOM 1967 C CA . GLU A 1 261 ? 37.247 15.357 34.973 1.00 7.46 ? 261 GLU A CA 1 ATOM 1968 C C . GLU A 1 261 ? 37.743 16.558 35.804 1.00 7.15 ? 261 GLU A C 1 ATOM 1969 O O . GLU A 1 261 ? 38.528 16.387 36.734 1.00 7.49 ? 261 GLU A O 1 ATOM 1970 C CB . GLU A 1 261 ? 37.608 14.022 35.569 1.00 7.94 ? 261 GLU A CB 1 ATOM 1971 C CG . GLU A 1 261 ? 36.949 12.849 34.841 1.00 9.58 ? 261 GLU A CG 1 ATOM 1972 C CD . GLU A 1 261 ? 35.447 12.815 35.008 1.00 12.07 ? 261 GLU A CD 1 ATOM 1973 O OE1 . GLU A 1 261 ? 34.812 12.074 34.239 1.00 21.97 ? 261 GLU A OE1 1 ATOM 1974 O OE2 . GLU A 1 261 ? 34.874 13.426 35.972 1.00 14.57 ? 261 GLU A OE2 1 ATOM 1975 N N . GLN A 1 262 ? 37.254 17.740 35.453 1.00 7.25 ? 262 GLN A N 1 ATOM 1976 C CA . GLN A 1 262 ? 37.764 18.977 36.048 1.00 8.25 ? 262 GLN A CA 1 ATOM 1977 C C . GLN A 1 262 ? 37.576 19.025 37.542 1.00 7.72 ? 262 GLN A C 1 ATOM 1978 O O . GLN A 1 262 ? 38.503 19.357 38.278 1.00 7.91 ? 262 GLN A O 1 ATOM 1979 C CB A GLN A 1 262 ? 36.799 20.103 35.519 0.52 7.36 ? 262 GLN A CB 1 ATOM 1980 C CB B GLN A 1 262 ? 37.503 20.226 35.218 0.52 12.45 ? 262 GLN A CB 1 ATOM 1981 C CG A GLN A 1 262 ? 37.191 21.454 36.076 0.52 6.22 ? 262 GLN A CG 1 ATOM 1982 C CG B GLN A 1 262 ? 38.567 21.331 35.425 0.52 8.85 ? 262 GLN A CG 1 ATOM 1983 C CD A GLN A 1 262 ? 38.625 21.916 35.753 0.52 6.10 ? 262 GLN A CD 1 ATOM 1984 C CD B GLN A 1 262 ? 38.198 22.158 36.649 0.52 9.10 ? 262 GLN A CD 1 ATOM 1985 O OE1 A GLN A 1 262 ? 39.162 21.596 34.713 0.52 6.55 ? 262 GLN A OE1 1 ATOM 1986 O OE1 B GLN A 1 262 ? 37.095 22.069 37.188 0.52 11.36 ? 262 GLN A OE1 1 ATOM 1987 N NE2 A GLN A 1 262 ? 39.174 22.619 36.717 0.52 7.52 ? 262 GLN A NE2 1 ATOM 1988 N NE2 B GLN A 1 262 ? 39.214 22.843 37.157 0.52 10.41 ? 262 GLN A NE2 1 ATOM 1989 N N . ALA A 1 263 ? 36.351 18.766 37.995 1.00 9.06 ? 263 ALA A N 1 ATOM 1990 C CA . ALA A 1 263 ? 36.071 18.885 39.433 1.00 8.80 ? 263 ALA A CA 1 ATOM 1991 C C . ALA A 1 263 ? 36.897 17.893 40.185 1.00 7.88 ? 263 ALA A C 1 ATOM 1992 O O . ALA A 1 263 ? 37.400 18.196 41.289 1.00 8.63 ? 263 ALA A O 1 ATOM 1993 C CB . ALA A 1 263 ? 34.580 18.717 39.701 1.00 10.98 ? 263 ALA A CB 1 ATOM 1994 N N . PHE A 1 264 ? 37.050 16.670 39.701 1.00 7.69 ? 264 PHE A N 1 ATOM 1995 C CA . PHE A 1 264 ? 37.835 15.649 40.323 1.00 7.56 ? 264 PHE A CA 1 ATOM 1996 C C . PHE A 1 264 ? 39.285 16.067 40.404 1.00 6.76 ? 264 PHE A C 1 ATOM 1997 O O . PHE A 1 264 ? 39.949 15.942 41.434 1.00 7.18 ? 264 PHE A O 1 ATOM 1998 C CB . PHE A 1 264 ? 37.656 14.348 39.557 1.00 8.06 ? 264 PHE A CB 1 ATOM 1999 C CG . PHE A 1 264 ? 38.420 13.155 40.058 1.00 7.60 ? 264 PHE A CG 1 ATOM 2000 C CD1 . PHE A 1 264 ? 38.612 12.838 41.390 1.00 8.41 ? 264 PHE A CD1 1 ATOM 2001 C CD2 . PHE A 1 264 ? 38.952 12.253 39.113 1.00 9.39 ? 264 PHE A CD2 1 ATOM 2002 C CE1 . PHE A 1 264 ? 39.285 11.688 41.757 1.00 9.38 ? 264 PHE A CE1 1 ATOM 2003 C CE2 . PHE A 1 264 ? 39.645 11.115 39.475 1.00 9.77 ? 264 PHE A CE2 1 ATOM 2004 C CZ . PHE A 1 264 ? 39.773 10.838 40.806 1.00 9.90 ? 264 PHE A CZ 1 ATOM 2005 N N . MET A 1 265 ? 39.813 16.585 39.293 1.00 6.69 ? 265 MET A N 1 ATOM 2006 C CA . MET A 1 265 ? 41.190 17.063 39.266 1.00 6.69 ? 265 MET A CA 1 ATOM 2007 C C . MET A 1 265 ? 41.405 18.159 40.291 1.00 6.27 ? 265 MET A C 1 ATOM 2008 O O . MET A 1 265 ? 42.397 18.131 41.028 1.00 6.49 ? 265 MET A O 1 ATOM 2009 C CB . MET A 1 265 ? 41.550 17.510 37.840 1.00 6.62 ? 265 MET A CB 1 ATOM 2010 C CG . MET A 1 265 ? 42.992 18.004 37.690 1.00 7.04 ? 265 MET A CG 1 ATOM 2011 S SD . MET A 1 265 ? 43.300 18.991 36.226 1.00 6.98 ? 265 MET A SD 1 ATOM 2012 C CE . MET A 1 265 ? 42.329 20.452 36.604 1.00 9.02 ? 265 MET A CE 1 ATOM 2013 N N . ALA A 1 266 ? 40.537 19.177 40.280 1.00 6.66 ? 266 ALA A N 1 ATOM 2014 C CA . ALA A 1 266 ? 40.732 20.307 41.180 1.00 6.77 ? 266 ALA A CA 1 ATOM 2015 C C . ALA A 1 266 ? 40.654 19.886 42.631 1.00 6.53 ? 266 ALA A C 1 ATOM 2016 O O . ALA A 1 266 ? 41.450 20.328 43.466 1.00 6.89 ? 266 ALA A O 1 ATOM 2017 C CB . ALA A 1 266 ? 39.746 21.422 40.843 1.00 8.11 ? 266 ALA A CB 1 ATOM 2018 N N . ALA A 1 267 ? 39.694 19.024 42.980 1.00 6.79 ? 267 ALA A N 1 ATOM 2019 C CA . ALA A 1 267 ? 39.559 18.575 44.353 1.00 7.08 ? 267 ALA A CA 1 ATOM 2020 C C . ALA A 1 267 ? 40.769 17.769 44.793 1.00 7.03 ? 267 ALA A C 1 ATOM 2021 O O . ALA A 1 267 ? 41.260 17.847 45.928 1.00 7.06 ? 267 ALA A O 1 ATOM 2022 C CB . ALA A 1 267 ? 38.295 17.767 44.543 1.00 8.12 ? 267 ALA A CB 1 ATOM 2023 N N . SER A 1 268 ? 41.265 16.928 43.875 1.00 6.65 ? 268 SER A N 1 ATOM 2024 C CA . SER A 1 268 ? 42.410 16.073 44.161 1.00 6.44 ? 268 SER A CA 1 ATOM 2025 C C . SER A 1 268 ? 43.681 16.906 44.340 1.00 6.16 ? 268 SER A C 1 ATOM 2026 O O . SER A 1 268 ? 44.480 16.667 45.231 1.00 6.72 ? 268 SER A O 1 ATOM 2027 C CB . SER A 1 268 ? 42.586 15.071 43.036 1.00 6.81 ? 268 SER A CB 1 ATOM 2028 O OG . SER A 1 268 ? 41.460 14.194 42.923 1.00 7.24 ? 268 SER A OG 1 ATOM 2029 N N . PHE A 1 269 ? 43.847 17.902 43.513 1.00 6.29 ? 269 PHE A N 1 ATOM 2030 C CA . PHE A 1 269 ? 44.925 18.869 43.650 1.00 6.18 ? 269 PHE A CA 1 ATOM 2031 C C . PHE A 1 269 ? 44.837 19.581 44.996 1.00 6.23 ? 269 PHE A C 1 ATOM 2032 O O . PHE A 1 269 ? 45.850 19.722 45.691 1.00 6.81 ? 269 PHE A O 1 ATOM 2033 C CB . PHE A 1 269 ? 44.904 19.853 42.462 1.00 6.81 ? 269 PHE A CB 1 ATOM 2034 C CG . PHE A 1 269 ? 46.022 20.866 42.511 1.00 6.39 ? 269 PHE A CG 1 ATOM 2035 C CD1 . PHE A 1 269 ? 47.328 20.533 42.125 1.00 6.21 ? 269 PHE A CD1 1 ATOM 2036 C CD2 . PHE A 1 269 ? 45.780 22.151 42.923 1.00 8.34 ? 269 PHE A CD2 1 ATOM 2037 C CE1 . PHE A 1 269 ? 48.363 21.452 42.157 1.00 7.10 ? 269 PHE A CE1 1 ATOM 2038 C CE2 . PHE A 1 269 ? 46.756 23.123 42.926 1.00 8.84 ? 269 PHE A CE2 1 ATOM 2039 C CZ . PHE A 1 269 ? 48.052 22.764 42.534 1.00 9.04 ? 269 PHE A CZ 1 ATOM 2040 N N . ARG A 1 270 ? 43.641 20.057 45.365 1.00 6.45 ? 270 ARG A N 1 ATOM 2041 C CA . ARG A 1 270 ? 43.517 20.733 46.651 1.00 6.14 ? 270 ARG A CA 1 ATOM 2042 C C . ARG A 1 270 ? 43.999 19.819 47.787 1.00 6.20 ? 270 ARG A C 1 ATOM 2043 O O . ARG A 1 270 ? 44.683 20.244 48.699 1.00 6.78 ? 270 ARG A O 1 ATOM 2044 C CB . ARG A 1 270 ? 42.068 21.196 46.891 1.00 6.56 ? 270 ARG A CB 1 ATOM 2045 C CG . ARG A 1 270 ? 41.975 22.119 48.083 1.00 7.27 ? 270 ARG A CG 1 ATOM 2046 C CD . ARG A 1 270 ? 40.524 22.468 48.410 1.00 8.07 ? 270 ARG A CD 1 ATOM 2047 N NE . ARG A 1 270 ? 40.423 23.417 49.494 1.00 9.06 ? 270 ARG A NE 1 ATOM 2048 C CZ . ARG A 1 270 ? 40.396 23.208 50.788 1.00 9.35 ? 270 ARG A CZ 1 ATOM 2049 N NH1 . ARG A 1 270 ? 40.520 22.029 51.264 1.00 10.41 ? 270 ARG A NH1 1 ATOM 2050 N NH2 . ARG A 1 270 ? 40.233 24.222 51.633 1.00 11.57 ? 270 ARG A NH2 1 ATOM 2051 N N . ALA A 1 271 ? 43.539 18.560 47.758 1.00 6.32 ? 271 ALA A N 1 ATOM 2052 C CA . ALA A 1 271 ? 43.869 17.659 48.875 1.00 7.13 ? 271 ALA A CA 1 ATOM 2053 C C . ALA A 1 271 ? 45.371 17.428 48.934 1.00 6.75 ? 271 ALA A C 1 ATOM 2054 O O . ALA A 1 271 ? 45.953 17.417 50.039 1.00 8.08 ? 271 ALA A O 1 ATOM 2055 C CB . ALA A 1 271 ? 43.081 16.381 48.727 1.00 7.84 ? 271 ALA A CB 1 ATOM 2056 N N . ALA A 1 272 ? 46.021 17.209 47.785 1.00 6.79 ? 272 ALA A N 1 ATOM 2057 C CA . ALA A 1 272 ? 47.465 16.980 47.813 1.00 7.21 ? 272 ALA A CA 1 ATOM 2058 C C . ALA A 1 272 ? 48.219 18.229 48.243 1.00 6.31 ? 272 ALA A C 1 ATOM 2059 O O . ALA A 1 272 ? 49.207 18.130 48.956 1.00 7.34 ? 272 ALA A O 1 ATOM 2060 C CB . ALA A 1 272 ? 47.921 16.437 46.463 1.00 7.87 ? 272 ALA A CB 1 ATOM 2061 N N . MET A 1 273 ? 47.764 19.401 47.798 1.00 6.66 ? 273 MET A N 1 ATOM 2062 C CA . MET A 1 273 ? 48.422 20.654 48.193 1.00 6.90 ? 273 MET A CA 1 ATOM 2063 C C . MET A 1 273 ? 48.272 20.869 49.682 1.00 6.87 ? 273 MET A C 1 ATOM 2064 O O . MET A 1 273 ? 49.119 21.533 50.323 1.00 7.33 ? 273 MET A O 1 ATOM 2065 C CB . MET A 1 273 ? 47.799 21.847 47.442 1.00 7.10 ? 273 MET A CB 1 ATOM 2066 C CG . MET A 1 273 ? 48.300 21.957 45.974 1.00 7.78 ? 273 MET A CG 1 ATOM 2067 S SD . MET A 1 273 ? 50.075 22.178 45.808 1.00 8.58 ? 273 MET A SD 1 ATOM 2068 C CE . MET A 1 273 ? 50.256 23.791 46.552 1.00 14.98 ? 273 MET A CE 1 ATOM 2069 N N . SER A 1 274 ? 47.173 20.446 50.299 1.00 7.07 ? 274 SER A N 1 ATOM 2070 C CA . SER A 1 274 ? 46.997 20.613 51.736 1.00 7.34 ? 274 SER A CA 1 ATOM 2071 C C . SER A 1 274 ? 48.117 19.906 52.488 1.00 7.38 ? 274 SER A C 1 ATOM 2072 O O . SER A 1 274 ? 48.559 20.407 53.527 1.00 8.67 ? 274 SER A O 1 ATOM 2073 C CB A SER A 1 274 ? 45.624 20.090 52.134 0.52 4.92 ? 274 SER A CB 1 ATOM 2074 O OG A SER A 1 274 ? 45.491 19.889 53.552 0.52 6.42 ? 274 SER A OG 1 ATOM 2075 O OG B SER A 1 274 ? 44.905 20.465 53.477 0.52 48.35 ? 274 SER A OG 1 ATOM 2076 O OG C SER A 1 274 ? 45.243 18.607 52.178 0.52 29.34 ? 274 SER A OG 1 ATOM 2077 N N . LYS A 1 275 ? 48.540 18.757 51.966 1.00 7.18 ? 275 LYS A N 1 ATOM 2078 C CA . LYS A 1 275 ? 49.637 17.999 52.531 1.00 7.53 ? 275 LYS A CA 1 ATOM 2079 C C . LYS A 1 275 ? 50.981 18.638 52.196 1.00 7.26 ? 275 LYS A C 1 ATOM 2080 O O . LYS A 1 275 ? 51.872 18.763 53.039 1.00 8.21 ? 275 LYS A O 1 ATOM 2081 C CB A LYS A 1 275 ? 49.477 16.562 52.031 0.52 8.10 ? 275 LYS A CB 1 ATOM 2082 C CB B LYS A 1 275 ? 49.647 16.536 52.105 0.52 9.50 ? 275 LYS A CB 1 ATOM 2083 C CG A LYS A 1 275 ? 50.478 15.511 52.460 0.52 7.28 ? 275 LYS A CG 1 ATOM 2084 C CG B LYS A 1 275 ? 48.537 15.849 52.859 0.52 13.72 ? 275 LYS A CG 1 ATOM 2085 C CD A LYS A 1 275 ? 50.018 14.149 51.948 0.52 12.05 ? 275 LYS A CD 1 ATOM 2086 C CD B LYS A 1 275 ? 48.339 14.447 52.345 0.52 18.82 ? 275 LYS A CD 1 ATOM 2087 C CE A LYS A 1 275 ? 50.880 12.960 52.214 0.52 11.77 ? 275 LYS A CE 1 ATOM 2088 C CE B LYS A 1 275 ? 49.500 13.499 52.564 0.52 18.15 ? 275 LYS A CE 1 ATOM 2089 N NZ A LYS A 1 275 ? 50.115 11.657 52.061 0.52 10.00 ? 275 LYS A NZ 1 ATOM 2090 N NZ B LYS A 1 275 ? 48.964 12.092 52.482 0.52 20.11 ? 275 LYS A NZ 1 ATOM 2091 N N . LEU A 1 276 ? 51.166 19.036 50.917 1.00 6.33 ? 276 LEU A N 1 ATOM 2092 C CA . LEU A 1 276 ? 52.432 19.620 50.498 1.00 6.21 ? 276 LEU A CA 1 ATOM 2093 C C . LEU A 1 276 ? 52.776 20.862 51.308 1.00 6.37 ? 276 LEU A C 1 ATOM 2094 O O . LEU A 1 276 ? 53.926 21.082 51.710 1.00 6.77 ? 276 LEU A O 1 ATOM 2095 C CB . LEU A 1 276 ? 52.344 19.949 48.998 1.00 6.65 ? 276 LEU A CB 1 ATOM 2096 C CG A LEU A 1 276 ? 53.667 20.485 48.425 0.52 5.83 ? 276 LEU A CG 1 ATOM 2097 C CG B LEU A 1 276 ? 53.560 20.603 48.337 0.52 9.82 ? 276 LEU A CG 1 ATOM 2098 C CD1 A LEU A 1 276 ? 54.676 19.381 48.261 0.52 6.14 ? 276 LEU A CD1 1 ATOM 2099 C CD1 B LEU A 1 276 ? 53.622 20.202 46.865 0.52 22.00 ? 276 LEU A CD1 1 ATOM 2100 C CD2 A LEU A 1 276 ? 53.381 21.136 47.064 0.52 8.27 ? 276 LEU A CD2 1 ATOM 2101 C CD2 B LEU A 1 276 ? 53.337 22.119 48.305 0.52 20.23 ? 276 LEU A CD2 1 ATOM 2102 N N . ALA A 1 277 ? 51.783 21.736 51.520 1.00 6.79 ? 277 ALA A N 1 ATOM 2103 C CA . ALA A 1 277 ? 52.005 23.043 52.099 1.00 6.35 ? 277 ALA A CA 1 ATOM 2104 C C . ALA A 1 277 ? 52.446 22.986 53.551 1.00 7.13 ? 277 ALA A C 1 ATOM 2105 O O . ALA A 1 277 ? 52.911 24.008 54.088 1.00 8.03 ? 277 ALA A O 1 ATOM 2106 C CB . ALA A 1 277 ? 50.766 23.886 51.977 1.00 7.29 ? 277 ALA A CB 1 ATOM 2107 N N . VAL A 1 278 ? 52.264 21.839 54.223 1.00 7.12 ? 278 VAL A N 1 ATOM 2108 C CA . VAL A 1 278 ? 52.646 21.728 55.616 1.00 7.96 ? 278 VAL A CA 1 ATOM 2109 C C . VAL A 1 278 ? 53.779 20.750 55.807 1.00 7.93 ? 278 VAL A C 1 ATOM 2110 O O . VAL A 1 278 ? 54.087 20.385 56.965 1.00 7.50 ? 278 VAL A O 1 ATOM 2111 C CB . VAL A 1 278 ? 51.463 21.385 56.507 1.00 10.06 ? 278 VAL A CB 1 ATOM 2112 C CG1 . VAL A 1 278 ? 50.417 22.519 56.395 1.00 12.68 ? 278 VAL A CG1 1 ATOM 2113 C CG2 . VAL A 1 278 ? 50.862 20.063 56.147 1.00 10.43 ? 278 VAL A CG2 1 ATOM 2114 N N . LEU A 1 279 ? 54.482 20.316 54.750 1.00 6.81 ? 279 LEU A N 1 ATOM 2115 C CA . LEU A 1 279 ? 55.671 19.497 54.956 1.00 6.87 ? 279 LEU A CA 1 ATOM 2116 C C . LEU A 1 279 ? 56.630 20.237 55.870 1.00 6.49 ? 279 LEU A C 1 ATOM 2117 O O . LEU A 1 279 ? 56.879 21.428 55.719 1.00 7.12 ? 279 LEU A O 1 ATOM 2118 C CB . LEU A 1 279 ? 56.354 19.184 53.617 1.00 6.92 ? 279 LEU A CB 1 ATOM 2119 C CG . LEU A 1 279 ? 55.612 18.255 52.692 1.00 6.93 ? 279 LEU A CG 1 ATOM 2120 C CD1 . LEU A 1 279 ? 56.404 18.063 51.413 1.00 9.85 ? 279 LEU A CD1 1 ATOM 2121 C CD2 . LEU A 1 279 ? 55.391 16.891 53.332 1.00 10.78 ? 279 LEU A CD2 1 ATOM 2122 N N . GLY A 1 280 ? 57.192 19.503 56.844 1.00 6.94 ? 280 GLY A N 1 ATOM 2123 C CA . GLY A 1 280 ? 58.066 20.070 57.819 1.00 7.81 ? 280 GLY A CA 1 ATOM 2124 C C . GLY A 1 280 ? 57.375 20.558 59.082 1.00 7.47 ? 280 GLY A C 1 ATOM 2125 O O . GLY A 1 280 ? 58.067 21.078 59.978 1.00 8.87 ? 280 GLY A O 1 ATOM 2126 N N . HIS A 1 281 ? 56.066 20.399 59.166 1.00 7.47 ? 281 HIS A N 1 ATOM 2127 C CA . HIS A 1 281 ? 55.241 20.914 60.251 1.00 7.68 ? 281 HIS A CA 1 ATOM 2128 C C . HIS A 1 281 ? 54.219 19.899 60.665 1.00 8.10 ? 281 HIS A C 1 ATOM 2129 O O . HIS A 1 281 ? 53.762 19.079 59.853 1.00 9.29 ? 281 HIS A O 1 ATOM 2130 C CB . HIS A 1 281 ? 54.538 22.209 59.830 1.00 7.66 ? 281 HIS A CB 1 ATOM 2131 C CG . HIS A 1 281 ? 55.482 23.233 59.315 1.00 8.12 ? 281 HIS A CG 1 ATOM 2132 N ND1 . HIS A 1 281 ? 55.826 23.484 58.024 1.00 9.28 ? 281 HIS A ND1 1 ATOM 2133 C CD2 . HIS A 1 281 ? 56.213 24.045 60.081 1.00 7.75 ? 281 HIS A CD2 1 ATOM 2134 C CE1 . HIS A 1 281 ? 56.796 24.387 58.041 1.00 7.14 ? 281 HIS A CE1 1 ATOM 2135 N NE2 . HIS A 1 281 ? 57.024 24.740 59.291 1.00 11.21 ? 281 HIS A NE2 1 ATOM 2136 N N . ASN A 1 282 ? 53.761 20.008 61.913 1.00 8.85 ? 282 ASN A N 1 ATOM 2137 C CA . ASN A 1 282 ? 52.574 19.331 62.349 1.00 9.39 ? 282 ASN A CA 1 ATOM 2138 C C . ASN A 1 282 ? 51.379 20.264 62.086 1.00 9.52 ? 282 ASN A C 1 ATOM 2139 O O . ASN A 1 282 ? 51.296 21.352 62.602 1.00 10.11 ? 282 ASN A O 1 ATOM 2140 C CB . ASN A 1 282 ? 52.725 19.073 63.864 1.00 10.74 ? 282 ASN A CB 1 ATOM 2141 C CG . ASN A 1 282 ? 51.650 18.238 64.494 1.00 10.17 ? 282 ASN A CG 1 ATOM 2142 O OD1 . ASN A 1 282 ? 50.507 18.248 64.000 1.00 12.90 ? 282 ASN A OD1 1 ATOM 2143 N ND2 . ASN A 1 282 ? 51.928 17.461 65.538 1.00 12.51 ? 282 ASN A ND2 1 ATOM 2144 N N . ARG A 1 283 ? 50.429 19.797 61.252 1.00 9.99 ? 283 ARG A N 1 ATOM 2145 C CA . ARG A 1 283 ? 49.302 20.655 60.904 1.00 10.97 ? 283 ARG A CA 1 ATOM 2146 C C . ARG A 1 283 ? 48.457 21.078 62.106 1.00 10.05 ? 283 ARG A C 1 ATOM 2147 O O . ARG A 1 283 ? 47.783 22.077 62.046 1.00 10.86 ? 283 ARG A O 1 ATOM 2148 C CB . ARG A 1 283 ? 48.412 20.099 59.802 1.00 12.19 ? 283 ARG A CB 1 ATOM 2149 C CG . ARG A 1 283 ? 47.643 18.870 60.225 1.00 13.07 ? 283 ARG A CG 1 ATOM 2150 C CD . ARG A 1 283 ? 46.607 18.399 59.186 1.00 13.76 ? 283 ARG A CD 1 ATOM 2151 N NE . ARG A 1 283 ? 45.443 19.269 59.111 1.00 16.25 ? 283 ARG A NE 1 ATOM 2152 C CZ . ARG A 1 283 ? 45.038 20.068 58.129 1.00 12.81 ? 283 ARG A CZ 1 ATOM 2153 N NH1 . ARG A 1 283 ? 45.672 20.138 56.971 1.00 11.74 ? 283 ARG A NH1 1 ATOM 2154 N NH2 . ARG A 1 283 ? 44.001 20.848 58.294 1.00 17.73 ? 283 ARG A NH2 1 ATOM 2155 N N . ASN A 1 284 ? 48.562 20.288 63.211 1.00 9.58 ? 284 ASN A N 1 ATOM 2156 C CA . ASN A 1 284 ? 47.815 20.595 64.407 1.00 9.49 ? 284 ASN A CA 1 ATOM 2157 C C . ASN A 1 284 ? 48.409 21.769 65.147 1.00 9.12 ? 284 ASN A C 1 ATOM 2158 O O . ASN A 1 284 ? 47.818 22.247 66.123 1.00 10.75 ? 284 ASN A O 1 ATOM 2159 C CB . ASN A 1 284 ? 47.787 19.376 65.328 1.00 11.02 ? 284 ASN A CB 1 ATOM 2160 C CG . ASN A 1 284 ? 47.202 18.153 64.704 1.00 12.86 ? 284 ASN A CG 1 ATOM 2161 O OD1 . ASN A 1 284 ? 47.880 17.153 64.391 1.00 17.56 ? 284 ASN A OD1 1 ATOM 2162 N ND2 . ASN A 1 284 ? 45.879 18.198 64.541 1.00 15.96 ? 284 ASN A ND2 1 ATOM 2163 N N . SER A 1 285 ? 49.565 22.274 64.675 1.00 9.59 ? 285 SER A N 1 ATOM 2164 C CA . SER A 1 285 ? 50.232 23.428 65.242 1.00 9.77 ? 285 SER A CA 1 ATOM 2165 C C . SER A 1 285 ? 50.117 24.707 64.419 1.00 8.24 ? 285 SER A C 1 ATOM 2166 O O . SER A 1 285 ? 50.676 25.731 64.797 1.00 10.01 ? 285 SER A O 1 ATOM 2167 C CB . SER A 1 285 ? 51.681 23.052 65.524 1.00 13.53 ? 285 SER A CB 1 ATOM 2168 O OG . SER A 1 285 ? 51.748 22.080 66.587 1.00 19.04 ? 285 SER A OG 1 ATOM 2169 N N . LEU A 1 286 ? 49.360 24.660 63.319 1.00 8.37 ? 286 LEU A N 1 ATOM 2170 C CA . LEU A 1 286 ? 49.164 25.781 62.443 1.00 7.55 ? 286 LEU A CA 1 ATOM 2171 C C . LEU A 1 286 ? 47.721 26.241 62.485 1.00 8.32 ? 286 LEU A C 1 ATOM 2172 O O . LEU A 1 286 ? 46.832 25.396 62.582 1.00 9.76 ? 286 LEU A O 1 ATOM 2173 C CB . LEU A 1 286 ? 49.583 25.422 61.024 1.00 8.04 ? 286 LEU A CB 1 ATOM 2174 C CG . LEU A 1 286 ? 51.028 24.938 60.848 1.00 8.48 ? 286 LEU A CG 1 ATOM 2175 C CD1 . LEU A 1 286 ? 51.261 24.483 59.412 1.00 10.35 ? 286 LEU A CD1 1 ATOM 2176 C CD2 . LEU A 1 286 ? 52.046 26.004 61.265 1.00 10.21 ? 286 LEU A CD2 1 ATOM 2177 N N . ILE A 1 287 ? 47.481 27.543 62.488 1.00 8.43 ? 287 ILE A N 1 ATOM 2178 C CA . ILE A 1 287 ? 46.129 28.091 62.533 1.00 8.61 ? 287 ILE A CA 1 ATOM 2179 C C . ILE A 1 287 ? 45.500 28.175 61.151 1.00 8.05 ? 287 ILE A C 1 ATOM 2180 O O . ILE A 1 287 ? 46.196 28.289 60.165 1.00 9.85 ? 287 ILE A O 1 ATOM 2181 C CB . ILE A 1 287 ? 46.118 29.492 63.168 1.00 10.32 ? 287 ILE A CB 1 ATOM 2182 C CG1 A ILE A 1 287 ? 44.757 29.835 63.747 0.52 10.57 ? 287 ILE A CG1 1 ATOM 2183 C CG1 B ILE A 1 287 ? 46.941 30.558 62.435 0.52 9.14 ? 287 ILE A CG1 1 ATOM 2184 C CG2 A ILE A 1 287 ? 46.714 30.508 62.227 0.52 14.36 ? 287 ILE A CG2 1 ATOM 2185 C CG2 B ILE A 1 287 ? 46.395 29.579 64.647 0.52 11.50 ? 287 ILE A CG2 1 ATOM 2186 C CD1 A ILE A 1 287 ? 44.802 30.818 64.889 0.52 11.06 ? 287 ILE A CD1 1 ATOM 2187 C CD1 B ILE A 1 287 ? 46.486 32.001 62.660 0.52 13.57 ? 287 ILE A CD1 1 ATOM 2188 N N . ASP A 1 288 ? 44.203 28.033 61.062 1.00 9.64 ? 288 ASP A N 1 ATOM 2189 C CA . ASP A 1 288 ? 43.523 27.990 59.762 1.00 9.13 ? 288 ASP A CA 1 ATOM 2190 C C . ASP A 1 288 ? 43.163 29.415 59.299 1.00 9.59 ? 288 ASP A C 1 ATOM 2191 O O . ASP A 1 288 ? 42.349 30.066 59.925 1.00 11.93 ? 288 ASP A O 1 ATOM 2192 C CB . ASP A 1 288 ? 42.294 27.086 59.863 1.00 10.82 ? 288 ASP A CB 1 ATOM 2193 C CG . ASP A 1 288 ? 41.726 26.790 58.475 1.00 11.66 ? 288 ASP A CG 1 ATOM 2194 O OD1 . ASP A 1 288 ? 40.844 25.910 58.413 1.00 16.52 ? 288 ASP A OD1 1 ATOM 2195 O OD2 . ASP A 1 288 ? 42.169 27.381 57.491 1.00 10.74 ? 288 ASP A OD2 1 ATOM 2196 N N . CYS A 1 289 ? 43.853 29.854 58.267 1.00 8.53 ? 289 CYS A N 1 ATOM 2197 C CA . CYS A 1 289 ? 43.625 31.140 57.646 1.00 9.53 ? 289 CYS A CA 1 ATOM 2198 C C . CYS A 1 289 ? 43.092 30.971 56.216 1.00 8.90 ? 289 CYS A C 1 ATOM 2199 O O . CYS A 1 289 ? 43.258 31.802 55.363 1.00 9.37 ? 289 CYS A O 1 ATOM 2200 C CB . CYS A 1 289 ? 44.877 32.005 57.634 1.00 10.00 ? 289 CYS A CB 1 ATOM 2201 S SG . CYS A 1 289 ? 45.362 32.590 59.273 1.00 12.17 ? 289 CYS A SG 1 ATOM 2202 N N . SER A 1 290 ? 42.359 29.900 55.979 1.00 8.53 ? 290 SER A N 1 ATOM 2203 C CA . SER A 1 290 ? 41.831 29.625 54.636 1.00 8.45 ? 290 SER A CA 1 ATOM 2204 C C . SER A 1 290 ? 40.887 30.682 54.164 1.00 8.84 ? 290 SER A C 1 ATOM 2205 O O . SER A 1 290 ? 40.733 30.862 52.943 1.00 8.75 ? 290 SER A O 1 ATOM 2206 C CB . SER A 1 290 ? 41.143 28.259 54.611 1.00 8.78 ? 290 SER A CB 1 ATOM 2207 O OG . SER A 1 290 ? 42.053 27.206 54.820 1.00 8.79 ? 290 SER A OG 1 ATOM 2208 N N . ASP A 1 291 ? 40.197 31.369 55.063 1.00 8.51 ? 291 ASP A N 1 ATOM 2209 C CA . ASP A 1 291 ? 39.219 32.357 54.692 1.00 8.87 ? 291 ASP A CA 1 ATOM 2210 C C . ASP A 1 291 ? 39.821 33.632 54.109 1.00 9.06 ? 291 ASP A C 1 ATOM 2211 O O . ASP A 1 291 ? 39.056 34.426 53.556 1.00 10.62 ? 291 ASP A O 1 ATOM 2212 C CB A ASP A 1 291 ? 38.327 32.669 55.894 1.00 11.05 ? 291 ASP A CB 1 ATOM 2213 C CG A ASP A 1 291 ? 38.983 33.154 57.125 0.52 7.82 ? 291 ASP A CG 1 ATOM 2214 C CG B ASP A 1 291 ? 39.029 33.985 57.372 0.52 23.42 ? 291 ASP A CG 1 ATOM 2215 O OD1 A ASP A 1 291 ? 38.501 34.149 57.728 0.52 13.85 ? 291 ASP A OD1 1 ATOM 2216 O OD1 B ASP A 1 291 ? 38.262 33.613 58.285 0.52 22.98 ? 291 ASP A OD1 1 ATOM 2217 O OD2 A ASP A 1 291 ? 39.923 32.484 57.577 0.52 11.89 ? 291 ASP A OD2 1 ATOM 2218 O OD2 B ASP A 1 291 ? 40.221 33.654 57.207 0.52 18.61 ? 291 ASP A OD2 1 ATOM 2219 N N . VAL A 1 292 ? 41.137 33.849 54.161 1.00 8.77 ? 292 VAL A N 1 ATOM 2220 C CA . VAL A 1 292 ? 41.776 34.987 53.551 1.00 8.66 ? 292 VAL A CA 1 ATOM 2221 C C . VAL A 1 292 ? 42.463 34.633 52.236 1.00 8.66 ? 292 VAL A C 1 ATOM 2222 O O . VAL A 1 292 ? 43.058 35.494 51.599 1.00 9.14 ? 292 VAL A O 1 ATOM 2223 C CB . VAL A 1 292 ? 42.702 35.762 54.518 1.00 9.64 ? 292 VAL A CB 1 ATOM 2224 C CG1 . VAL A 1 292 ? 41.867 36.321 55.676 1.00 11.69 ? 292 VAL A CG1 1 ATOM 2225 C CG2 . VAL A 1 292 ? 43.849 34.895 55.029 1.00 10.31 ? 292 VAL A CG2 1 ATOM 2226 N N . VAL A 1 293 ? 42.356 33.371 51.784 1.00 8.00 ? 293 VAL A N 1 ATOM 2227 C CA . VAL A 1 293 ? 42.757 33.072 50.398 1.00 8.06 ? 293 VAL A CA 1 ATOM 2228 C C . VAL A 1 293 ? 41.702 33.653 49.455 1.00 7.89 ? 293 VAL A C 1 ATOM 2229 O O . VAL A 1 293 ? 40.505 33.408 49.688 1.00 9.04 ? 293 VAL A O 1 ATOM 2230 C CB . VAL A 1 293 ? 42.848 31.550 50.188 1.00 8.35 ? 293 VAL A CB 1 ATOM 2231 C CG1 . VAL A 1 293 ? 43.184 31.191 48.753 1.00 9.03 ? 293 VAL A CG1 1 ATOM 2232 C CG2 . VAL A 1 293 ? 43.881 30.948 51.149 1.00 9.51 ? 293 VAL A CG2 1 ATOM 2233 N N . PRO A 1 294 ? 42.063 34.347 48.401 1.00 8.42 ? 294 PRO A N 1 ATOM 2234 C CA . PRO A 1 294 ? 41.065 34.856 47.473 1.00 9.30 ? 294 PRO A CA 1 ATOM 2235 C C . PRO A 1 294 ? 40.222 33.744 46.877 1.00 8.76 ? 294 PRO A C 1 ATOM 2236 O O . PRO A 1 294 ? 40.716 32.658 46.632 1.00 9.48 ? 294 PRO A O 1 ATOM 2237 C CB . PRO A 1 294 ? 41.932 35.540 46.412 1.00 11.13 ? 294 PRO A CB 1 ATOM 2238 C CG . PRO A 1 294 ? 43.177 35.974 47.132 1.00 11.46 ? 294 PRO A CG 1 ATOM 2239 C CD . PRO A 1 294 ? 43.423 34.819 48.083 1.00 10.35 ? 294 PRO A CD 1 ATOM 2240 N N . VAL A 1 295 ? 38.965 34.043 46.547 1.00 10.49 ? 295 VAL A N 1 ATOM 2241 C CA . VAL A 1 295 ? 38.105 33.138 45.847 1.00 10.13 ? 295 VAL A CA 1 ATOM 2242 C C . VAL A 1 295 ? 38.629 32.918 44.452 1.00 8.85 ? 295 VAL A C 1 ATOM 2243 O O . VAL A 1 295 ? 38.888 33.906 43.740 1.00 10.25 ? 295 VAL A O 1 ATOM 2244 C CB . VAL A 1 295 ? 36.662 33.653 45.866 1.00 13.46 ? 295 VAL A CB 1 ATOM 2245 C CG1 . VAL A 1 295 ? 35.750 32.782 44.994 1.00 15.89 ? 295 VAL A CG1 1 ATOM 2246 C CG2 . VAL A 1 295 ? 36.122 33.713 47.307 1.00 15.88 ? 295 VAL A CG2 1 ATOM 2247 N N . PRO A 1 296 ? 38.764 31.693 43.984 1.00 8.15 ? 296 PRO A N 1 ATOM 2248 C CA . PRO A 1 296 ? 39.359 31.487 42.647 1.00 8.10 ? 296 PRO A CA 1 ATOM 2249 C C . PRO A 1 296 ? 38.415 31.795 41.538 1.00 8.40 ? 296 PRO A C 1 ATOM 2250 O O . PRO A 1 296 ? 37.172 31.709 41.665 1.00 9.38 ? 296 PRO A O 1 ATOM 2251 C CB . PRO A 1 296 ? 39.686 29.981 42.650 1.00 8.51 ? 296 PRO A CB 1 ATOM 2252 C CG . PRO A 1 296 ? 38.689 29.382 43.591 1.00 9.99 ? 296 PRO A CG 1 ATOM 2253 C CD . PRO A 1 296 ? 38.573 30.418 44.683 1.00 9.23 ? 296 PRO A CD 1 ATOM 2254 N N . LYS A 1 297 ? 38.978 32.151 40.395 1.00 7.83 ? 297 LYS A N 1 ATOM 2255 C CA . LYS A 1 297 ? 38.196 32.280 39.185 1.00 8.29 ? 297 LYS A CA 1 ATOM 2256 C C . LYS A 1 297 ? 37.576 30.946 38.807 1.00 7.98 ? 297 LYS A C 1 ATOM 2257 O O . LYS A 1 297 ? 38.233 29.919 38.800 1.00 8.65 ? 297 LYS A O 1 ATOM 2258 C CB . LYS A 1 297 ? 39.084 32.719 38.025 1.00 8.46 ? 297 LYS A CB 1 ATOM 2259 C CG . LYS A 1 297 ? 39.700 34.095 38.157 1.00 9.70 ? 297 LYS A CG 1 ATOM 2260 C CD . LYS A 1 297 ? 40.481 34.416 36.880 1.00 10.08 ? 297 LYS A CD 1 ATOM 2261 C CE . LYS A 1 297 ? 41.266 35.691 36.967 1.00 10.51 ? 297 LYS A CE 1 ATOM 2262 N NZ . LYS A 1 297 ? 42.355 35.645 35.952 1.00 11.03 ? 297 LYS A NZ 1 ATOM 2263 N N . PRO A 1 298 ? 36.274 30.954 38.460 1.00 9.65 ? 298 PRO A N 1 ATOM 2264 C CA . PRO A 1 298 ? 35.599 29.687 38.089 1.00 10.28 ? 298 PRO A CA 1 ATOM 2265 C C . PRO A 1 298 ? 35.961 29.211 36.700 1.00 10.23 ? 298 PRO A C 1 ATOM 2266 O O . PRO A 1 298 ? 36.257 29.997 35.827 1.00 12.44 ? 298 PRO A O 1 ATOM 2267 C CB . PRO A 1 298 ? 34.097 30.075 38.133 1.00 12.57 ? 298 PRO A CB 1 ATOM 2268 C CG . PRO A 1 298 ? 34.124 31.515 37.754 1.00 15.76 ? 298 PRO A CG 1 ATOM 2269 C CD . PRO A 1 298 ? 35.332 32.080 38.500 1.00 12.19 ? 298 PRO A CD 1 ATOM 2270 N N . ALA A 1 299 ? 35.900 27.896 36.492 1.00 11.34 ? 299 ALA A N 1 ATOM 2271 C CA . ALA A 1 299 ? 35.990 27.343 35.135 1.00 10.66 ? 299 ALA A CA 1 ATOM 2272 C C . ALA A 1 299 ? 34.759 27.817 34.340 1.00 11.47 ? 299 ALA A C 1 ATOM 2273 O O . ALA A 1 299 ? 33.682 28.139 34.853 1.00 14.60 ? 299 ALA A O 1 ATOM 2274 C CB . ALA A 1 299 ? 36.033 25.833 35.199 1.00 12.51 ? 299 ALA A CB 1 ATOM 2275 N N . THR A 1 300 ? 34.871 27.738 32.994 1.00 12.20 ? 300 THR A N 1 ATOM 2276 C CA . THR A 1 300 ? 33.662 27.946 32.185 1.00 11.85 ? 300 THR A CA 1 ATOM 2277 C C . THR A 1 300 ? 32.739 26.728 32.239 1.00 11.18 ? 300 THR A C 1 ATOM 2278 O O . THR A 1 300 ? 31.550 26.859 31.869 1.00 12.80 ? 300 THR A O 1 ATOM 2279 C CB . THR A 1 300 ? 34.022 28.212 30.712 1.00 12.47 ? 300 THR A CB 1 ATOM 2280 O OG1 . THR A 1 300 ? 34.647 27.023 30.234 1.00 13.00 ? 300 THR A OG1 1 ATOM 2281 C CG2 . THR A 1 300 ? 34.876 29.424 30.538 1.00 13.48 ? 300 THR A CG2 1 ATOM 2282 N N . GLY A 1 301 ? 33.207 25.554 32.638 1.00 10.45 ? 301 GLY A N 1 ATOM 2283 C CA . GLY A 1 301 ? 32.469 24.338 32.682 1.00 11.47 ? 301 GLY A CA 1 ATOM 2284 C C . GLY A 1 301 ? 32.485 23.536 31.397 1.00 10.94 ? 301 GLY A C 1 ATOM 2285 O O . GLY A 1 301 ? 31.922 22.441 31.315 1.00 12.06 ? 301 GLY A O 1 ATOM 2286 N N . GLN A 1 302 ? 33.235 23.970 30.422 1.00 8.82 ? 302 GLN A N 1 ATOM 2287 C CA . GLN A 1 302 ? 33.273 23.232 29.155 1.00 8.59 ? 302 GLN A CA 1 ATOM 2288 C C . GLN A 1 302 ? 34.129 21.977 29.292 1.00 7.62 ? 302 GLN A C 1 ATOM 2289 O O . GLN A 1 302 ? 35.145 21.985 29.974 1.00 9.27 ? 302 GLN A O 1 ATOM 2290 C CB A GLN A 1 302 ? 33.975 24.034 28.070 0.52 8.68 ? 302 GLN A CB 1 ATOM 2291 C CB B GLN A 1 302 ? 33.603 24.224 28.041 0.52 13.01 ? 302 GLN A CB 1 ATOM 2292 C CG A GLN A 1 302 ? 33.141 25.226 27.614 0.52 10.64 ? 302 GLN A CG 1 ATOM 2293 C CG B GLN A 1 302 ? 33.564 23.697 26.632 0.52 12.29 ? 302 GLN A CG 1 ATOM 2294 C CD A GLN A 1 302 ? 33.814 25.810 26.386 0.52 11.80 ? 302 GLN A CD 1 ATOM 2295 C CD B GLN A 1 302 ? 33.707 24.771 25.560 0.52 13.06 ? 302 GLN A CD 1 ATOM 2296 O OE1 A GLN A 1 302 ? 34.952 26.258 26.339 0.52 15.20 ? 302 GLN A OE1 1 ATOM 2297 O OE1 B GLN A 1 302 ? 34.259 25.838 25.828 0.52 11.25 ? 302 GLN A OE1 1 ATOM 2298 N NE2 A GLN A 1 302 ? 33.178 25.624 25.248 0.52 12.29 ? 302 GLN A NE2 1 ATOM 2299 N NE2 B GLN A 1 302 ? 33.301 24.353 24.370 0.52 11.87 ? 302 GLN A NE2 1 ATOM 2300 N N . PRO A 1 303 ? 33.727 20.904 28.594 1.00 8.19 ? 303 PRO A N 1 ATOM 2301 C CA . PRO A 1 303 ? 34.560 19.706 28.550 1.00 8.02 ? 303 PRO A CA 1 ATOM 2302 C C . PRO A 1 303 ? 35.921 19.931 27.901 1.00 7.57 ? 303 PRO A C 1 ATOM 2303 O O . PRO A 1 303 ? 36.128 20.873 27.132 1.00 8.75 ? 303 PRO A O 1 ATOM 2304 C CB . PRO A 1 303 ? 33.738 18.717 27.746 1.00 8.93 ? 303 PRO A CB 1 ATOM 2305 C CG A PRO A 1 303 ? 32.304 19.149 28.020 0.52 7.97 ? 303 PRO A CG 1 ATOM 2306 C CG B PRO A 1 303 ? 32.609 19.425 27.160 0.52 21.73 ? 303 PRO A CG 1 ATOM 2307 C CD . PRO A 1 303 ? 32.410 20.676 27.950 1.00 10.86 ? 303 PRO A CD 1 ATOM 2308 N N . ALA A 1 304 ? 36.856 19.002 28.189 1.00 8.08 ? 304 ALA A N 1 ATOM 2309 C CA . ALA A 1 304 ? 38.115 18.958 27.464 1.00 7.91 ? 304 ALA A CA 1 ATOM 2310 C C . ALA A 1 304 ? 37.800 18.644 26.003 1.00 7.34 ? 304 ALA A C 1 ATOM 2311 O O . ALA A 1 304 ? 36.825 18.004 25.658 1.00 8.19 ? 304 ALA A O 1 ATOM 2312 C CB . ALA A 1 304 ? 38.990 17.879 28.047 1.00 8.78 ? 304 ALA A CB 1 ATOM 2313 N N . MET A 1 305 ? 38.702 19.112 25.137 1.00 8.06 ? 305 MET A N 1 ATOM 2314 C CA . MET A 1 305 ? 38.578 18.937 23.702 1.00 7.44 ? 305 MET A CA 1 ATOM 2315 C C . MET A 1 305 ? 39.948 18.665 23.081 1.00 7.37 ? 305 MET A C 1 ATOM 2316 O O . MET A 1 305 ? 40.956 19.222 23.529 1.00 8.72 ? 305 MET A O 1 ATOM 2317 C CB . MET A 1 305 ? 37.970 20.162 23.043 1.00 7.68 ? 305 MET A CB 1 ATOM 2318 C CG . MET A 1 305 ? 36.605 20.543 23.556 1.00 8.23 ? 305 MET A CG 1 ATOM 2319 S SD . MET A 1 305 ? 36.029 22.123 22.946 1.00 10.39 ? 305 MET A SD 1 ATOM 2320 C CE . MET A 1 305 ? 37.080 23.146 23.481 1.00 8.65 ? 305 MET A CE 1 ATOM 2321 N N . PHE A 1 306 ? 39.965 17.857 22.025 1.00 7.49 ? 306 PHE A N 1 ATOM 2322 C CA . PHE A 1 306 ? 41.193 17.728 21.232 1.00 7.89 ? 306 PHE A CA 1 ATOM 2323 C C . PHE A 1 306 ? 41.526 19.044 20.543 1.00 8.13 ? 306 PHE A C 1 ATOM 2324 O O . PHE A 1 306 ? 40.681 19.598 19.842 1.00 8.75 ? 306 PHE A O 1 ATOM 2325 C CB . PHE A 1 306 ? 41.077 16.645 20.175 1.00 8.26 ? 306 PHE A CB 1 ATOM 2326 C CG . PHE A 1 306 ? 40.979 15.247 20.729 1.00 8.14 ? 306 PHE A CG 1 ATOM 2327 C CD1 . PHE A 1 306 ? 39.763 14.670 21.055 1.00 9.27 ? 306 PHE A CD1 1 ATOM 2328 C CD2 . PHE A 1 306 ? 42.135 14.541 20.935 1.00 8.43 ? 306 PHE A CD2 1 ATOM 2329 C CE1 . PHE A 1 306 ? 39.713 13.397 21.568 1.00 10.96 ? 306 PHE A CE1 1 ATOM 2330 C CE2 . PHE A 1 306 ? 42.096 13.271 21.465 1.00 9.77 ? 306 PHE A CE2 1 ATOM 2331 C CZ . PHE A 1 306 ? 40.876 12.698 21.806 1.00 9.96 ? 306 PHE A CZ 1 ATOM 2332 N N . PRO A 1 307 ? 42.745 19.543 20.686 1.00 8.78 ? 307 PRO A N 1 ATOM 2333 C CA . PRO A 1 307 ? 43.150 20.719 19.909 1.00 9.15 ? 307 PRO A CA 1 ATOM 2334 C C . PRO A 1 307 ? 43.119 20.451 18.429 1.00 8.91 ? 307 PRO A C 1 ATOM 2335 O O . PRO A 1 307 ? 43.348 19.332 17.958 1.00 9.83 ? 307 PRO A O 1 ATOM 2336 C CB . PRO A 1 307 ? 44.599 20.975 20.376 1.00 11.07 ? 307 PRO A CB 1 ATOM 2337 C CG . PRO A 1 307 ? 44.609 20.398 21.757 1.00 14.13 ? 307 PRO A CG 1 ATOM 2338 C CD . PRO A 1 307 ? 43.790 19.137 21.636 1.00 10.33 ? 307 PRO A CD 1 ATOM 2339 N N . ALA A 1 308 ? 42.899 21.483 17.619 1.00 9.97 ? 308 ALA A N 1 ATOM 2340 C CA . ALA A 1 308 ? 43.007 21.339 16.171 1.00 10.43 ? 308 ALA A CA 1 ATOM 2341 C C . ALA A 1 308 ? 44.399 20.721 15.820 1.00 9.96 ? 308 ALA A C 1 ATOM 2342 O O . ALA A 1 308 ? 45.371 21.112 16.422 1.00 11.21 ? 308 ALA A O 1 ATOM 2343 C CB . ALA A 1 308 ? 42.787 22.668 15.475 1.00 12.63 ? 308 ALA A CB 1 ATOM 2344 N N . SER A 1 309 ? 44.418 19.820 14.866 1.00 11.54 ? 309 SER A N 1 ATOM 2345 C CA . SER A 1 309 ? 45.509 19.031 14.352 1.00 11.73 ? 309 SER A CA 1 ATOM 2346 C C . SER A 1 309 ? 45.678 17.713 15.099 1.00 11.57 ? 309 SER A C 1 ATOM 2347 O O . SER A 1 309 ? 46.577 16.920 14.722 1.00 14.85 ? 309 SER A O 1 ATOM 2348 C CB . SER A 1 309 ? 46.865 19.730 14.343 1.00 12.06 ? 309 SER A CB 1 ATOM 2349 O OG . SER A 1 309 ? 47.521 19.820 15.580 1.00 13.23 ? 309 SER A OG 1 ATOM 2350 N N . THR A 1 310 ? 44.857 17.456 16.116 1.00 11.55 ? 310 THR A N 1 ATOM 2351 C CA . THR A 1 310 ? 44.854 16.209 16.863 1.00 10.56 ? 310 THR A CA 1 ATOM 2352 C C . THR A 1 310 ? 43.469 15.580 16.860 1.00 10.97 ? 310 THR A C 1 ATOM 2353 O O . THR A 1 310 ? 42.444 16.234 16.625 1.00 13.04 ? 310 THR A O 1 ATOM 2354 C CB . THR A 1 310 ? 45.377 16.410 18.271 1.00 9.94 ? 310 THR A CB 1 ATOM 2355 O OG1 . THR A 1 310 ? 44.355 17.012 19.105 1.00 11.23 ? 310 THR A OG1 1 ATOM 2356 C CG2 . THR A 1 310 ? 46.636 17.224 18.242 1.00 15.89 ? 310 THR A CG2 1 ATOM 2357 N N . GLY A 1 311 ? 43.420 14.327 17.253 1.00 10.94 ? 311 GLY A N 1 ATOM 2358 C CA . GLY A 1 311 ? 42.170 13.628 17.476 1.00 10.25 ? 311 GLY A CA 1 ATOM 2359 C C . GLY A 1 311 ? 42.389 12.303 18.135 1.00 9.24 ? 311 GLY A C 1 ATOM 2360 O O . GLY A 1 311 ? 43.504 11.898 18.444 1.00 9.45 ? 311 GLY A O 1 ATOM 2361 N N . PRO A 1 312 ? 41.299 11.537 18.299 1.00 10.21 ? 312 PRO A N 1 ATOM 2362 C CA . PRO A 1 312 ? 41.368 10.251 18.957 1.00 10.44 ? 312 PRO A CA 1 ATOM 2363 C C . PRO A 1 312 ? 42.320 9.250 18.363 1.00 9.43 ? 312 PRO A C 1 ATOM 2364 O O . PRO A 1 312 ? 42.887 8.404 19.058 1.00 11.22 ? 312 PRO A O 1 ATOM 2365 C CB . PRO A 1 312 ? 39.899 9.799 18.976 1.00 12.88 ? 312 PRO A CB 1 ATOM 2366 C CG . PRO A 1 312 ? 39.107 11.047 18.879 1.00 14.99 ? 312 PRO A CG 1 ATOM 2367 C CD . PRO A 1 312 ? 39.913 11.993 18.026 1.00 11.90 ? 312 PRO A CD 1 ATOM 2368 N N . GLN A 1 313 ? 42.513 9.342 17.032 1.00 10.02 ? 313 GLN A N 1 ATOM 2369 C CA . GLN A 1 313 ? 43.437 8.454 16.376 1.00 10.63 ? 313 GLN A CA 1 ATOM 2370 C C . GLN A 1 313 ? 44.882 8.646 16.817 1.00 9.68 ? 313 GLN A C 1 ATOM 2371 O O . GLN A 1 313 ? 45.711 7.788 16.589 1.00 11.47 ? 313 GLN A O 1 ATOM 2372 C CB . GLN A 1 313 ? 43.414 8.636 14.853 1.00 12.86 ? 313 GLN A CB 1 ATOM 2373 C CG . GLN A 1 313 ? 43.899 9.937 14.288 1.00 14.71 ? 313 GLN A CG 1 ATOM 2374 C CD . GLN A 1 313 ? 42.960 11.135 14.346 1.00 15.18 ? 313 GLN A CD 1 ATOM 2375 O OE1 . GLN A 1 313 ? 41.951 11.182 15.060 1.00 13.42 ? 313 GLN A OE1 1 ATOM 2376 N NE2 . GLN A 1 313 ? 43.361 12.183 13.617 1.00 24.95 ? 313 GLN A NE2 1 ATOM 2377 N N . ASP A 1 314 ? 45.159 9.776 17.463 1.00 8.36 ? 314 ASP A N 1 ATOM 2378 C CA . ASP A 1 314 ? 46.507 10.109 17.952 1.00 8.99 ? 314 ASP A CA 1 ATOM 2379 C C . ASP A 1 314 ? 46.753 9.642 19.366 1.00 8.55 ? 314 ASP A C 1 ATOM 2380 O O . ASP A 1 314 ? 47.874 9.814 19.872 1.00 10.46 ? 314 ASP A O 1 ATOM 2381 C CB . ASP A 1 314 ? 46.732 11.607 17.847 1.00 10.18 ? 314 ASP A CB 1 ATOM 2382 C CG . ASP A 1 314 ? 46.631 12.124 16.433 1.00 11.36 ? 314 ASP A CG 1 ATOM 2383 O OD1 . ASP A 1 314 ? 46.065 13.208 16.258 1.00 14.33 ? 314 ASP A OD1 1 ATOM 2384 O OD2 . ASP A 1 314 ? 47.095 11.458 15.482 1.00 14.28 ? 314 ASP A OD2 1 ATOM 2385 N N . LEU A 1 315 ? 45.758 9.108 20.064 1.00 8.48 ? 315 LEU A N 1 ATOM 2386 C CA . LEU A 1 315 ? 45.964 8.681 21.451 1.00 8.90 ? 315 LEU A CA 1 ATOM 2387 C C . LEU A 1 315 ? 46.909 7.520 21.578 1.00 8.42 ? 315 LEU A C 1 ATOM 2388 O O . LEU A 1 315 ? 46.848 6.548 20.837 1.00 10.75 ? 315 LEU A O 1 ATOM 2389 C CB . LEU A 1 315 ? 44.609 8.296 22.057 1.00 9.93 ? 315 LEU A CB 1 ATOM 2390 C CG . LEU A 1 315 ? 43.644 9.468 22.266 1.00 10.79 ? 315 LEU A CG 1 ATOM 2391 C CD1 . LEU A 1 315 ? 42.221 8.931 22.516 1.00 12.11 ? 315 LEU A CD1 1 ATOM 2392 C CD2 . LEU A 1 315 ? 44.138 10.347 23.402 1.00 11.92 ? 315 LEU A CD2 1 ATOM 2393 N N . GLU A 1 316 ? 47.712 7.576 22.626 1.00 8.31 ? 316 GLU A N 1 ATOM 2394 C CA . GLU A 1 316 ? 48.605 6.502 23.068 1.00 8.43 ? 316 GLU A CA 1 ATOM 2395 C C . GLU A 1 316 ? 48.131 6.054 24.465 1.00 7.94 ? 316 GLU A C 1 ATOM 2396 O O . GLU A 1 316 ? 48.525 6.599 25.471 1.00 10.45 ? 316 GLU A O 1 ATOM 2397 C CB . GLU A 1 316 ? 50.053 7.021 23.101 1.00 9.72 ? 316 GLU A CB 1 ATOM 2398 C CG . GLU A 1 316 ? 50.490 7.519 21.743 1.00 10.73 ? 316 GLU A CG 1 ATOM 2399 C CD . GLU A 1 316 ? 51.911 7.994 21.649 1.00 11.24 ? 316 GLU A CD 1 ATOM 2400 O OE1 . GLU A 1 316 ? 52.448 8.693 22.509 1.00 11.38 ? 316 GLU A OE1 1 ATOM 2401 O OE2 . GLU A 1 316 ? 52.458 7.696 20.561 1.00 23.40 ? 316 GLU A OE2 1 ATOM 2402 N N . LEU A 1 317 ? 47.164 5.125 24.480 1.00 8.39 ? 317 LEU A N 1 ATOM 2403 C CA . LEU A 1 317 ? 46.477 4.782 25.696 1.00 7.88 ? 317 LEU A CA 1 ATOM 2404 C C . LEU A 1 317 ? 47.185 3.686 26.465 1.00 8.40 ? 317 LEU A C 1 ATOM 2405 O O . LEU A 1 317 ? 47.772 2.781 25.894 1.00 10.23 ? 317 LEU A O 1 ATOM 2406 C CB . LEU A 1 317 ? 45.044 4.385 25.388 1.00 9.18 ? 317 LEU A CB 1 ATOM 2407 C CG . LEU A 1 317 ? 44.189 5.440 24.750 1.00 10.78 ? 317 LEU A CG 1 ATOM 2408 C CD1 . LEU A 1 317 ? 42.780 4.910 24.531 1.00 14.54 ? 317 LEU A CD1 1 ATOM 2409 C CD2 . LEU A 1 317 ? 44.168 6.715 25.617 1.00 11.99 ? 317 LEU A CD2 1 ATOM 2410 N N . SER A 1 318 ? 47.103 3.773 27.800 1.00 8.64 ? 318 SER A N 1 ATOM 2411 C CA . SER A 1 318 ? 47.815 2.895 28.704 1.00 9.04 ? 318 SER A CA 1 ATOM 2412 C C . SER A 1 318 ? 47.028 2.444 29.932 1.00 9.29 ? 318 SER A C 1 ATOM 2413 O O . SER A 1 318 ? 47.653 1.943 30.872 1.00 11.74 ? 318 SER A O 1 ATOM 2414 C CB . SER A 1 318 ? 49.106 3.566 29.188 1.00 8.62 ? 318 SER A CB 1 ATOM 2415 O OG . SER A 1 318 ? 50.000 3.800 28.113 1.00 9.86 ? 318 SER A OG 1 ATOM 2416 N N . CYS A 1 319 ? 45.719 2.615 29.961 1.00 9.08 ? 319 CYS A N 1 ATOM 2417 C CA . CYS A 1 319 ? 44.883 2.210 31.078 1.00 9.38 ? 319 CYS A CA 1 ATOM 2418 C C . CYS A 1 319 ? 43.838 1.194 30.647 1.00 9.42 ? 319 CYS A C 1 ATOM 2419 O O . CYS A 1 319 ? 42.801 1.563 30.118 1.00 11.89 ? 319 CYS A O 1 ATOM 2420 C CB . CYS A 1 319 ? 44.225 3.400 31.760 1.00 10.07 ? 319 CYS A CB 1 ATOM 2421 S SG . CYS A 1 319 ? 43.118 2.907 33.092 1.00 10.36 ? 319 CYS A SG 1 ATOM 2422 N N . PRO A 1 320 ? 44.076 -0.105 30.845 1.00 9.95 ? 320 PRO A N 1 ATOM 2423 C CA . PRO A 1 320 ? 43.191 -1.103 30.284 1.00 10.57 ? 320 PRO A CA 1 ATOM 2424 C C . PRO A 1 320 ? 41.843 -1.112 30.956 1.00 10.06 ? 320 PRO A C 1 ATOM 2425 O O . PRO A 1 320 ? 40.874 -1.684 30.393 1.00 14.50 ? 320 PRO A O 1 ATOM 2426 C CB . PRO A 1 320 ? 43.902 -2.438 30.470 1.00 13.93 ? 320 PRO A CB 1 ATOM 2427 C CG . PRO A 1 320 ? 45.268 -2.111 30.826 1.00 28.90 ? 320 PRO A CG 1 ATOM 2428 C CD . PRO A 1 320 ? 45.286 -0.698 31.410 1.00 16.72 ? 320 PRO A CD 1 ATOM 2429 N N . SER A 1 321 ? 41.702 -0.623 32.150 1.00 13.27 ? 321 SER A N 1 ATOM 2430 C CA . SER A 1 321 ? 40.483 -0.792 32.915 1.00 15.38 ? 321 SER A CA 1 ATOM 2431 C C . SER A 1 321 ? 39.554 0.391 32.967 1.00 13.83 ? 321 SER A C 1 ATOM 2432 O O . SER A 1 321 ? 38.506 0.317 33.638 1.00 19.42 ? 321 SER A O 1 ATOM 2433 C CB . SER A 1 321 ? 40.807 -1.133 34.385 1.00 18.07 ? 321 SER A CB 1 ATOM 2434 O OG . SER A 1 321 ? 41.706 -0.168 34.926 1.00 18.99 ? 321 SER A OG 1 ATOM 2435 N N . GLU A 1 322 ? 39.857 1.500 32.273 1.00 13.50 ? 322 GLU A N 1 ATOM 2436 C CA . GLU A 1 322 ? 38.986 2.642 32.290 1.00 14.38 ? 322 GLU A CA 1 ATOM 2437 C C . GLU A 1 322 ? 38.774 3.181 30.877 1.00 13.39 ? 322 GLU A C 1 ATOM 2438 O O . GLU A 1 322 ? 39.716 3.320 30.114 1.00 14.58 ? 322 GLU A O 1 ATOM 2439 C CB . GLU A 1 322 ? 39.492 3.733 33.239 1.00 15.65 ? 322 GLU A CB 1 ATOM 2440 C CG . GLU A 1 322 ? 39.803 3.303 34.670 1.00 18.42 ? 322 GLU A CG 1 ATOM 2441 C CD . GLU A 1 322 ? 40.208 4.343 35.682 1.00 23.51 ? 322 GLU A CD 1 ATOM 2442 O OE1 . GLU A 1 322 ? 40.861 3.970 36.729 1.00 25.85 ? 322 GLU A OE1 1 ATOM 2443 O OE2 . GLU A 1 322 ? 39.934 5.562 35.466 1.00 47.08 ? 322 GLU A OE2 1 ATOM 2444 N N . ARG A 1 323 ? 37.510 3.392 30.492 1.00 14.75 ? 323 ARG A N 1 ATOM 2445 C CA . ARG A 1 323 ? 37.172 3.877 29.147 1.00 15.27 ? 323 ARG A CA 1 ATOM 2446 C C . ARG A 1 323 ? 37.606 5.340 28.964 1.00 13.07 ? 323 ARG A C 1 ATOM 2447 O O . ARG A 1 323 ? 37.266 6.210 29.749 1.00 14.38 ? 323 ARG A O 1 ATOM 2448 C CB . ARG A 1 323 ? 35.689 3.817 28.766 1.00 18.04 ? 323 ARG A CB 1 ATOM 2449 C CG . ARG A 1 323 ? 35.345 4.250 27.354 1.00 21.80 ? 323 ARG A CG 1 ATOM 2450 C CD . ARG A 1 323 ? 33.948 4.026 26.782 1.00 28.56 ? 323 ARG A CD 1 ATOM 2451 N NE . ARG A 1 323 ? 33.628 2.592 26.718 1.00 24.91 ? 323 ARG A NE 1 ATOM 2452 C CZ . ARG A 1 323 ? 32.771 1.927 27.498 1.00 15.66 ? 323 ARG A CZ 1 ATOM 2453 N NH1 . ARG A 1 323 ? 32.033 2.531 28.425 1.00 22.03 ? 323 ARG A NH1 1 ATOM 2454 N NH2 . ARG A 1 323 ? 32.636 0.600 27.338 1.00 25.14 ? 323 ARG A NH2 1 ATOM 2455 N N . PHE A 1 324 ? 38.343 5.638 27.941 1.00 15.41 ? 324 PHE A N 1 ATOM 2456 C CA . PHE A 1 324 ? 38.758 6.981 27.574 1.00 12.76 ? 324 PHE A CA 1 ATOM 2457 C C . PHE A 1 324 ? 37.511 7.726 27.096 1.00 12.88 ? 324 PHE A C 1 ATOM 2458 O O . PHE A 1 324 ? 36.816 7.159 26.280 1.00 16.59 ? 324 PHE A O 1 ATOM 2459 C CB . PHE A 1 324 ? 39.884 6.940 26.516 1.00 16.10 ? 324 PHE A CB 1 ATOM 2460 C CG . PHE A 1 324 ? 40.436 8.320 26.239 1.00 12.34 ? 324 PHE A CG 1 ATOM 2461 C CD1 . PHE A 1 324 ? 39.820 9.189 25.365 1.00 13.61 ? 324 PHE A CD1 1 ATOM 2462 C CD2 . PHE A 1 324 ? 41.550 8.752 26.915 1.00 14.31 ? 324 PHE A CD2 1 ATOM 2463 C CE1 . PHE A 1 324 ? 40.276 10.449 25.185 1.00 15.82 ? 324 PHE A CE1 1 ATOM 2464 C CE2 . PHE A 1 324 ? 42.040 10.037 26.730 1.00 17.17 ? 324 PHE A CE2 1 ATOM 2465 C CZ . PHE A 1 324 ? 41.345 10.892 25.920 1.00 15.95 ? 324 PHE A CZ 1 ATOM 2466 N N . PRO A 1 325 ? 37.301 8.958 27.562 1.00 11.22 ? 325 PRO A N 1 ATOM 2467 C CA . PRO A 1 325 ? 36.040 9.636 27.244 1.00 13.05 ? 325 PRO A CA 1 ATOM 2468 C C . PRO A 1 325 ? 35.886 10.015 25.780 1.00 10.91 ? 325 PRO A C 1 ATOM 2469 O O . PRO A 1 325 ? 36.842 10.204 25.062 1.00 12.56 ? 325 PRO A O 1 ATOM 2470 C CB . PRO A 1 325 ? 36.099 10.893 28.084 1.00 15.25 ? 325 PRO A CB 1 ATOM 2471 C CG . PRO A 1 325 ? 37.499 11.071 28.466 1.00 14.99 ? 325 PRO A CG 1 ATOM 2472 C CD . PRO A 1 325 ? 38.145 9.708 28.524 1.00 11.30 ? 325 PRO A CD 1 ATOM 2473 N N . THR A 1 326 ? 34.624 10.229 25.397 1.00 13.61 ? 326 THR A N 1 ATOM 2474 C CA . THR A 1 326 ? 34.263 10.854 24.147 1.00 14.62 ? 326 THR A CA 1 ATOM 2475 C C . THR A 1 326 ? 34.323 12.370 24.194 1.00 13.35 ? 326 THR A C 1 ATOM 2476 O O . THR A 1 326 ? 33.554 12.976 24.890 1.00 16.63 ? 326 THR A O 1 ATOM 2477 C CB . THR A 1 326 ? 32.862 10.404 23.734 1.00 21.53 ? 326 THR A CB 1 ATOM 2478 O OG1 . THR A 1 326 ? 32.885 8.985 23.695 1.00 35.02 ? 326 THR A OG1 1 ATOM 2479 C CG2 . THR A 1 326 ? 32.564 10.819 22.322 1.00 29.08 ? 326 THR A CG2 1 ATOM 2480 N N . LEU A 1 327 ? 35.255 12.909 23.414 1.00 11.28 ? 327 LEU A N 1 ATOM 2481 C CA . LEU A 1 327 ? 35.515 14.338 23.376 1.00 10.71 ? 327 LEU A CA 1 ATOM 2482 C C . LEU A 1 327 ? 35.385 14.871 21.933 1.00 9.67 ? 327 LEU A C 1 ATOM 2483 O O . LEU A 1 327 ? 35.674 14.135 20.999 1.00 11.49 ? 327 LEU A O 1 ATOM 2484 C CB . LEU A 1 327 ? 36.926 14.632 23.878 1.00 10.37 ? 327 LEU A CB 1 ATOM 2485 C CG . LEU A 1 327 ? 37.286 14.033 25.216 1.00 10.93 ? 327 LEU A CG 1 ATOM 2486 C CD1 . LEU A 1 327 ? 38.716 14.383 25.572 1.00 12.72 ? 327 LEU A CD1 1 ATOM 2487 C CD2 . LEU A 1 327 ? 36.369 14.508 26.334 1.00 11.88 ? 327 LEU A CD2 1 ATOM 2488 N N . THR A 1 328 ? 35.028 16.127 21.818 1.00 9.66 ? 328 THR A N 1 ATOM 2489 C CA . THR A 1 328 ? 35.015 16.805 20.546 1.00 9.56 ? 328 THR A CA 1 ATOM 2490 C C . THR A 1 328 ? 36.427 17.267 20.185 1.00 9.37 ? 328 THR A C 1 ATOM 2491 O O . THR A 1 328 ? 37.293 17.338 21.052 1.00 9.21 ? 328 THR A O 1 ATOM 2492 C CB . THR A 1 328 ? 34.025 17.979 20.536 1.00 9.78 ? 328 THR A CB 1 ATOM 2493 O OG1 . THR A 1 328 ? 34.546 18.969 21.417 1.00 11.93 ? 328 THR A OG1 1 ATOM 2494 C CG2 . THR A 1 328 ? 32.612 17.575 20.918 1.00 11.94 ? 328 THR A CG2 1 ATOM 2495 N N . THR A 1 329 ? 36.602 17.611 18.917 1.00 12.30 ? 329 THR A N 1 ATOM 2496 C CA . THR A 1 329 ? 37.821 18.200 18.394 1.00 12.30 ? 329 THR A CA 1 ATOM 2497 C C . THR A 1 329 ? 37.523 19.620 17.888 1.00 12.36 ? 329 THR A C 1 ATOM 2498 O O . THR A 1 329 ? 36.543 19.866 17.221 1.00 15.48 ? 329 THR A O 1 ATOM 2499 C CB . THR A 1 329 ? 38.338 17.366 17.241 1.00 13.10 ? 329 THR A CB 1 ATOM 2500 O OG1 . THR A 1 329 ? 38.597 16.057 17.679 1.00 15.96 ? 329 THR A OG1 1 ATOM 2501 C CG2 . THR A 1 329 ? 39.627 17.979 16.639 1.00 17.14 ? 329 THR A CG2 1 ATOM 2502 N N . GLN A 1 330 ? 38.390 20.561 18.297 1.00 12.16 ? 330 GLN A N 1 ATOM 2503 C CA . GLN A 1 330 ? 38.273 21.895 17.767 1.00 13.42 ? 330 GLN A CA 1 ATOM 2504 C C . GLN A 1 330 ? 38.492 21.870 16.279 1.00 12.79 ? 330 GLN A C 1 ATOM 2505 O O . GLN A 1 330 ? 39.417 21.226 15.808 1.00 13.56 ? 330 GLN A O 1 ATOM 2506 C CB . GLN A 1 330 ? 39.397 22.717 18.377 1.00 16.08 ? 330 GLN A CB 1 ATOM 2507 C CG . GLN A 1 330 ? 39.814 23.911 17.563 1.00 32.16 ? 330 GLN A CG 1 ATOM 2508 C CD . GLN A 1 330 ? 39.672 25.188 18.373 1.00 51.16 ? 330 GLN A CD 1 ATOM 2509 O OE1 . GLN A 1 330 ? 40.694 25.882 18.272 1.00 42.32 ? 330 GLN A OE1 1 ATOM 2510 N NE2 . GLN A 1 330 ? 38.474 25.309 18.971 1.00 74.49 ? 330 GLN A NE2 1 ATOM 2511 N N . PRO A 1 331 ? 37.665 22.578 15.495 1.00 14.65 ? 331 PRO A N 1 ATOM 2512 C CA . PRO A 1 331 ? 37.839 22.530 14.034 1.00 16.42 ? 331 PRO A CA 1 ATOM 2513 C C . PRO A 1 331 ? 39.146 23.141 13.565 1.00 14.42 ? 331 PRO A C 1 ATOM 2514 O O . PRO A 1 331 ? 39.699 24.020 14.227 1.00 14.89 ? 331 PRO A O 1 ATOM 2515 C CB . PRO A 1 331 ? 36.675 23.342 13.498 1.00 22.86 ? 331 PRO A CB 1 ATOM 2516 C CG . PRO A 1 331 ? 35.829 23.728 14.636 1.00 34.61 ? 331 PRO A CG 1 ATOM 2517 C CD . PRO A 1 331 ? 36.515 23.398 15.932 1.00 19.54 ? 331 PRO A CD 1 ATOM 2518 N N . GLY A 1 332 ? 39.608 22.727 12.409 1.00 15.50 ? 332 GLY A N 1 ATOM 2519 C CA . GLY A 1 332 ? 40.785 23.345 11.795 1.00 21.48 ? 332 GLY A CA 1 ATOM 2520 C C . GLY A 1 332 ? 41.691 22.229 11.341 1.00 18.59 ? 332 GLY A C 1 ATOM 2521 O O . GLY A 1 332 ? 41.828 21.213 11.982 1.00 22.42 ? 332 GLY A O 1 ATOM 2522 N N . ALA A 1 333 ? 42.418 22.518 10.258 1.00 23.13 ? 333 ALA A N 1 ATOM 2523 C CA . ALA A 1 333 ? 43.315 21.553 9.666 1.00 32.21 ? 333 ALA A CA 1 ATOM 2524 C C . ALA A 1 333 ? 44.696 21.542 10.296 1.00 24.16 ? 333 ALA A C 1 ATOM 2525 O O . ALA A 1 333 ? 45.479 20.597 10.210 1.00 48.85 ? 333 ALA A O 1 ATOM 2526 C CB . ALA A 1 333 ? 43.517 21.806 8.178 1.00 53.67 ? 333 ALA A CB 1 ATOM 2527 N N . SER A 1 334 ? 45.112 22.661 10.843 1.00 14.36 ? 334 SER A N 1 ATOM 2528 C CA . SER A 1 334 ? 46.458 22.788 11.352 1.00 14.23 ? 334 SER A CA 1 ATOM 2529 C C . SER A 1 334 ? 46.416 23.302 12.778 1.00 11.07 ? 334 SER A C 1 ATOM 2530 O O . SER A 1 334 ? 45.377 23.756 13.272 1.00 11.88 ? 334 SER A O 1 ATOM 2531 C CB A SER A 1 334 ? 47.370 23.562 10.403 0.52 16.54 ? 334 SER A CB 1 ATOM 2532 C CB B SER A 1 334 ? 47.207 23.828 10.484 0.52 22.52 ? 334 SER A CB 1 ATOM 2533 O OG A SER A 1 334 ? 46.984 24.922 10.414 0.52 14.92 ? 334 SER A OG 1 ATOM 2534 O OG B SER A 1 334 ? 47.451 23.266 9.212 0.52 32.24 ? 334 SER A OG 1 ATOM 2535 N N . GLN A 1 335 ? 47.550 23.189 13.440 1.00 10.74 ? 335 GLN A N 1 ATOM 2536 C CA . GLN A 1 335 ? 47.649 23.583 14.830 1.00 9.63 ? 335 GLN A CA 1 ATOM 2537 C C . GLN A 1 335 ? 47.445 25.063 14.988 1.00 9.76 ? 335 GLN A C 1 ATOM 2538 O O . GLN A 1 335 ? 47.990 25.842 14.212 1.00 10.89 ? 335 GLN A O 1 ATOM 2539 C CB . GLN A 1 335 ? 49.042 23.219 15.349 1.00 10.13 ? 335 GLN A CB 1 ATOM 2540 C CG . GLN A 1 335 ? 49.137 23.485 16.833 1.00 11.37 ? 335 GLN A CG 1 ATOM 2541 C CD . GLN A 1 335 ? 50.509 23.577 17.385 1.00 9.09 ? 335 GLN A CD 1 ATOM 2542 O OE1 . GLN A 1 335 ? 50.817 24.517 18.184 1.00 14.65 ? 335 GLN A OE1 1 ATOM 2543 N NE2 . GLN A 1 335 ? 51.263 22.599 17.045 1.00 8.10 ? 335 GLN A NE2 1 ATOM 2544 N N . SER A 1 336 ? 46.708 25.446 16.017 1.00 10.08 ? 336 SER A N 1 ATOM 2545 C CA . SER A 1 336 ? 46.632 26.822 16.443 1.00 11.00 ? 336 SER A CA 1 ATOM 2546 C C . SER A 1 336 ? 47.835 27.172 17.291 1.00 10.18 ? 336 SER A C 1 ATOM 2547 O O . SER A 1 336 ? 48.284 26.389 18.124 1.00 11.56 ? 336 SER A O 1 ATOM 2548 C CB . SER A 1 336 ? 45.335 27.061 17.256 1.00 12.96 ? 336 SER A CB 1 ATOM 2549 O OG . SER A 1 336 ? 44.189 26.866 16.408 1.00 15.06 ? 336 SER A OG 1 ATOM 2550 N N . LEU A 1 337 ? 48.319 28.390 17.190 1.00 9.25 ? 337 LEU A N 1 ATOM 2551 C CA . LEU A 1 337 ? 49.307 28.901 18.071 1.00 9.56 ? 337 LEU A CA 1 ATOM 2552 C C . LEU A 1 337 ? 48.769 28.992 19.485 1.00 9.81 ? 337 LEU A C 1 ATOM 2553 O O . LEU A 1 337 ? 47.604 29.336 19.698 1.00 13.76 ? 337 LEU A O 1 ATOM 2554 C CB . LEU A 1 337 ? 49.791 30.242 17.595 1.00 10.36 ? 337 LEU A CB 1 ATOM 2555 C CG . LEU A 1 337 ? 50.483 30.302 16.271 1.00 11.28 ? 337 LEU A CG 1 ATOM 2556 C CD1 . LEU A 1 337 ? 50.772 31.782 15.962 1.00 14.70 ? 337 LEU A CD1 1 ATOM 2557 C CD2 . LEU A 1 337 ? 51.780 29.508 16.294 1.00 13.80 ? 337 LEU A CD2 1 ATOM 2558 N N . ILE A 1 338 ? 49.627 28.676 20.462 1.00 8.59 ? 338 ILE A N 1 ATOM 2559 C CA . ILE A 1 338 ? 49.246 28.843 21.884 1.00 8.50 ? 338 ILE A CA 1 ATOM 2560 C C . ILE A 1 338 ? 49.727 30.231 22.324 1.00 8.38 ? 338 ILE A C 1 ATOM 2561 O O . ILE A 1 338 ? 50.900 30.574 22.295 1.00 8.50 ? 338 ILE A O 1 ATOM 2562 C CB . ILE A 1 338 ? 49.912 27.719 22.720 1.00 8.23 ? 338 ILE A CB 1 ATOM 2563 C CG1 . ILE A 1 338 ? 49.490 26.341 22.223 1.00 8.53 ? 338 ILE A CG1 1 ATOM 2564 C CG2 . ILE A 1 338 ? 49.576 27.924 24.187 1.00 8.44 ? 338 ILE A CG2 1 ATOM 2565 C CD1 . ILE A 1 338 ? 50.377 25.210 22.723 1.00 9.50 ? 338 ILE A CD1 1 ATOM 2566 N N . ALA A 1 339 ? 48.763 31.102 22.644 1.00 8.85 ? 339 ALA A N 1 ATOM 2567 C CA . ALA A 1 339 ? 49.072 32.465 22.942 1.00 9.75 ? 339 ALA A CA 1 ATOM 2568 C C . ALA A 1 339 ? 50.055 32.602 24.105 1.00 9.10 ? 339 ALA A C 1 ATOM 2569 O O . ALA A 1 339 ? 49.947 31.960 25.153 1.00 9.42 ? 339 ALA A O 1 ATOM 2570 C CB . ALA A 1 339 ? 47.820 33.292 23.259 1.00 13.05 ? 339 ALA A CB 1 ATOM 2571 N N . HIS A 1 340 ? 50.971 33.530 23.936 1.00 8.59 ? 340 HIS A N 1 ATOM 2572 C CA . HIS A 1 340 ? 51.948 33.854 24.946 1.00 8.44 ? 340 HIS A CA 1 ATOM 2573 C C . HIS A 1 340 ? 51.390 34.669 26.129 1.00 8.57 ? 340 HIS A C 1 ATOM 2574 O O . HIS A 1 340 ? 51.985 34.611 27.216 1.00 9.00 ? 340 HIS A O 1 ATOM 2575 C CB . HIS A 1 340 ? 53.111 34.629 24.287 1.00 9.00 ? 340 HIS A CB 1 ATOM 2576 C CG . HIS A 1 340 ? 54.201 34.975 25.205 1.00 8.97 ? 340 HIS A CG 1 ATOM 2577 N ND1 . HIS A 1 340 ? 55.052 33.996 25.718 1.00 9.16 ? 340 HIS A ND1 1 ATOM 2578 C CD2 . HIS A 1 340 ? 54.656 36.150 25.688 1.00 10.43 ? 340 HIS A CD2 1 ATOM 2579 C CE1 . HIS A 1 340 ? 55.965 34.574 26.487 1.00 9.98 ? 340 HIS A CE1 1 ATOM 2580 N NE2 . HIS A 1 340 ? 55.746 35.886 26.479 1.00 10.99 ? 340 HIS A NE2 1 ATOM 2581 N N . CYS A 1 341 ? 50.301 35.372 25.901 1.00 9.77 ? 341 CYS A N 1 ATOM 2582 C CA . CYS A 1 341 ? 49.695 36.253 26.906 1.00 10.74 ? 341 CYS A CA 1 ATOM 2583 C C . CYS A 1 341 ? 48.281 35.820 27.277 1.00 11.89 ? 341 CYS A C 1 ATOM 2584 O O . CYS A 1 341 ? 47.522 35.375 26.399 1.00 13.09 ? 341 CYS A O 1 ATOM 2585 C CB . CYS A 1 341 ? 49.671 37.689 26.408 1.00 11.76 ? 341 CYS A CB 1 ATOM 2586 S SG . CYS A 1 341 ? 51.292 38.437 26.193 1.00 12.64 ? 341 CYS A SG 1 ATOM 2587 N N . PRO A 1 342 ? 47.875 36.005 28.524 1.00 12.49 ? 342 PRO A N 1 ATOM 2588 C CA . PRO A 1 342 ? 46.473 35.698 28.891 1.00 13.77 ? 342 PRO A CA 1 ATOM 2589 C C . PRO A 1 342 ? 45.351 36.345 28.063 1.00 15.45 ? 342 PRO A C 1 ATOM 2590 O O . PRO A 1 342 ? 44.299 35.767 27.965 1.00 20.92 ? 342 PRO A O 1 ATOM 2591 C CB . PRO A 1 342 ? 46.410 36.116 30.383 1.00 16.61 ? 342 PRO A CB 1 ATOM 2592 C CG . PRO A 1 342 ? 47.827 35.917 30.814 1.00 17.05 ? 342 PRO A CG 1 ATOM 2593 C CD . PRO A 1 342 ? 48.714 36.354 29.699 1.00 14.58 ? 342 PRO A CD 1 ATOM 2594 N N . ASP A 1 343 ? 45.587 37.491 27.439 1.00 14.79 ? 343 ASP A N 1 ATOM 2595 C CA . ASP A 1 343 ? 44.637 38.211 26.605 1.00 17.09 ? 343 ASP A CA 1 ATOM 2596 C C . ASP A 1 343 ? 44.865 38.023 25.109 1.00 18.67 ? 343 ASP A C 1 ATOM 2597 O O . ASP A 1 343 ? 44.191 38.612 24.283 1.00 22.46 ? 343 ASP A O 1 ATOM 2598 C CB . ASP A 1 343 ? 44.570 39.688 26.915 1.00 19.53 ? 343 ASP A CB 1 ATOM 2599 C CG . ASP A 1 343 ? 45.864 40.437 26.710 1.00 22.85 ? 343 ASP A CG 1 ATOM 2600 O OD1 . ASP A 1 343 ? 45.826 41.682 26.894 1.00 24.10 ? 343 ASP A OD1 1 ATOM 2601 O OD2 . ASP A 1 343 ? 46.877 39.814 26.306 1.00 26.45 ? 343 ASP A OD2 1 ATOM 2602 N N . GLY A 1 344 ? 45.839 37.210 24.738 1.00 21.52 ? 344 GLY A N 1 ATOM 2603 C CA . GLY A 1 344 ? 46.164 37.025 23.347 1.00 21.73 ? 344 GLY A CA 1 ATOM 2604 C C . GLY A 1 344 ? 46.962 38.183 22.811 1.00 24.56 ? 344 GLY A C 1 ATOM 2605 O O . GLY A 1 344 ? 47.177 38.214 21.601 1.00 30.33 ? 344 GLY A O 1 ATOM 2606 N N . SER A 1 345 ? 47.398 39.170 23.599 1.00 21.89 ? 345 SER A N 1 ATOM 2607 C CA . SER A 1 345 ? 48.113 40.309 23.038 1.00 21.78 ? 345 SER A CA 1 ATOM 2608 C C . SER A 1 345 ? 49.564 40.077 22.778 1.00 18.84 ? 345 SER A C 1 ATOM 2609 O O . SER A 1 345 ? 50.142 39.067 23.142 1.00 18.13 ? 345 SER A O 1 ATOM 2610 C CB . SER A 1 345 ? 47.903 41.565 23.899 1.00 28.72 ? 345 SER A CB 1 ATOM 2611 O OG . SER A 1 345 ? 48.883 41.569 24.927 1.00 25.31 ? 345 SER A OG 1 ATOM 2612 N N . MET A 1 346 ? 50.196 41.039 22.097 1.00 20.06 ? 346 MET A N 1 ATOM 2613 C CA . MET A 1 346 ? 51.596 41.021 21.737 1.00 18.10 ? 346 MET A CA 1 ATOM 2614 C C . MET A 1 346 ? 52.496 41.413 22.884 1.00 17.63 ? 346 MET A C 1 ATOM 2615 O O . MET A 1 346 ? 53.702 41.356 22.599 1.00 21.01 ? 346 MET A O 1 ATOM 2616 C CB . MET A 1 346 ? 51.899 41.939 20.551 1.00 26.62 ? 346 MET A CB 1 ATOM 2617 N N . SER A 1 347 ? 52.011 41.857 24.038 1.00 18.39 ? 347 SER A N 1 ATOM 2618 C CA . SER A 1 347 ? 52.976 42.256 25.087 1.00 24.64 ? 347 SER A CA 1 ATOM 2619 C C . SER A 1 347 ? 52.356 42.046 26.445 1.00 21.99 ? 347 SER A C 1 ATOM 2620 O O . SER A 1 347 ? 51.311 42.650 26.684 1.00 31.37 ? 347 SER A O 1 ATOM 2621 C CB . SER A 1 347 ? 53.287 43.757 24.944 1.00 27.80 ? 347 SER A CB 1 ATOM 2622 O OG . SER A 1 347 ? 54.224 44.183 25.916 1.00 32.76 ? 347 SER A OG 1 ATOM 2623 N N . CYS A 1 348 ? 53.088 41.315 27.282 1.00 19.64 ? 348 CYS A N 1 ATOM 2624 C CA . CYS A 1 348 ? 52.593 41.150 28.663 1.00 20.20 ? 348 CYS A CA 1 ATOM 2625 C C . CYS A 1 348 ? 53.768 40.834 29.569 1.00 16.55 ? 348 CYS A C 1 ATOM 2626 O O . CYS A 1 348 ? 53.750 39.816 30.224 1.00 14.64 ? 348 CYS A O 1 ATOM 2627 C CB . CYS A 1 348 ? 51.492 40.072 28.739 1.00 16.58 ? 348 CYS A CB 1 ATOM 2628 S SG . CYS A 1 348 ? 52.048 38.451 28.097 1.00 13.33 ? 348 CYS A SG 1 ATOM 2629 N N . PRO A 1 349 ? 54.740 41.774 29.629 1.00 21.64 ? 349 PRO A N 1 ATOM 2630 C CA . PRO A 1 349 ? 55.931 41.486 30.433 1.00 19.42 ? 349 PRO A CA 1 ATOM 2631 C C . PRO A 1 349 ? 55.650 41.427 31.941 1.00 18.52 ? 349 PRO A C 1 ATOM 2632 O O . PRO A 1 349 ? 54.796 42.105 32.436 1.00 31.41 ? 349 PRO A O 1 ATOM 2633 C CB . PRO A 1 349 ? 56.819 42.729 30.124 1.00 26.78 ? 349 PRO A CB 1 ATOM 2634 C CG . PRO A 1 349 ? 55.814 43.806 29.844 1.00 36.45 ? 349 PRO A CG 1 ATOM 2635 C CD . PRO A 1 349 ? 54.747 43.113 29.041 1.00 43.35 ? 349 PRO A CD 1 ATOM 2636 N N . GLY A 1 350 ? 56.224 40.429 32.570 1.00 15.00 ? 350 GLY A N 1 ATOM 2637 C CA . GLY A 1 350 ? 55.965 40.282 34.004 1.00 17.12 ? 350 GLY A CA 1 ATOM 2638 C C . GLY A 1 350 ? 56.859 41.199 34.786 1.00 13.21 ? 350 GLY A C 1 ATOM 2639 O O . GLY A 1 350 ? 58.011 41.442 34.471 1.00 16.44 ? 350 GLY A O 1 ATOM 2640 N N . VAL A 1 351 ? 56.328 41.686 35.890 1.00 8.80 ? 351 VAL A N 1 ATOM 2641 C CA . VAL A 1 351 ? 57.123 42.483 36.829 1.00 7.59 ? 351 VAL A CA 1 ATOM 2642 C C . VAL A 1 351 ? 58.212 41.601 37.403 1.00 7.26 ? 351 VAL A C 1 ATOM 2643 O O . VAL A 1 351 ? 57.970 40.439 37.783 1.00 8.08 ? 351 VAL A O 1 ATOM 2644 C CB . VAL A 1 351 ? 56.213 43.031 37.943 1.00 8.17 ? 351 VAL A CB 1 ATOM 2645 C CG1 . VAL A 1 351 ? 57.017 43.724 39.014 1.00 9.36 ? 351 VAL A CG1 1 ATOM 2646 C CG2 . VAL A 1 351 ? 55.184 43.982 37.334 1.00 9.75 ? 351 VAL A CG2 1 ATOM 2647 N N . GLN A 1 352 ? 59.435 42.114 37.505 1.00 7.23 ? 352 GLN A N 1 ATOM 2648 C CA . GLN A 1 352 ? 60.540 41.343 38.088 1.00 7.61 ? 352 GLN A CA 1 ATOM 2649 C C . GLN A 1 352 ? 61.437 42.266 38.876 1.00 7.45 ? 352 GLN A C 1 ATOM 2650 O O . GLN A 1 352 ? 61.990 43.239 38.326 1.00 9.00 ? 352 GLN A O 1 ATOM 2651 C CB . GLN A 1 352 ? 61.308 40.634 36.960 1.00 8.04 ? 352 GLN A CB 1 ATOM 2652 C CG . GLN A 1 352 ? 62.444 39.753 37.490 1.00 9.43 ? 352 GLN A CG 1 ATOM 2653 C CD . GLN A 1 352 ? 61.965 38.679 38.431 1.00 9.41 ? 352 GLN A CD 1 ATOM 2654 O OE1 . GLN A 1 352 ? 62.456 38.532 39.593 1.00 10.60 ? 352 GLN A OE1 1 ATOM 2655 N NE2 . GLN A 1 352 ? 61.039 37.900 37.970 1.00 8.23 ? 352 GLN A NE2 1 ATOM 2656 N N . PHE A 1 353 ? 61.673 41.907 40.113 1.00 7.93 ? 353 PHE A N 1 ATOM 2657 C CA . PHE A 1 353 ? 62.618 42.572 40.975 1.00 8.03 ? 353 PHE A CA 1 ATOM 2658 C C . PHE A 1 353 ? 63.970 41.878 40.859 1.00 8.81 ? 353 PHE A C 1 ATOM 2659 O O . PHE A 1 353 ? 64.070 40.661 40.816 1.00 9.79 ? 353 PHE A O 1 ATOM 2660 C CB . PHE A 1 353 ? 62.130 42.548 42.433 1.00 7.87 ? 353 PHE A CB 1 ATOM 2661 C CG . PHE A 1 353 ? 60.869 43.331 42.650 1.00 8.24 ? 353 PHE A CG 1 ATOM 2662 C CD1 . PHE A 1 353 ? 60.860 44.716 42.659 1.00 12.41 ? 353 PHE A CD1 1 ATOM 2663 C CD2 . PHE A 1 353 ? 59.654 42.706 42.885 1.00 11.74 ? 353 PHE A CD2 1 ATOM 2664 C CE1 . PHE A 1 353 ? 59.699 45.442 42.810 1.00 12.23 ? 353 PHE A CE1 1 ATOM 2665 C CE2 . PHE A 1 353 ? 58.490 43.446 43.020 1.00 12.69 ? 353 PHE A CE2 1 ATOM 2666 C CZ . PHE A 1 353 ? 58.511 44.806 43.024 1.00 10.02 ? 353 PHE A CZ 1 ATOM 2667 N N . ASN A 1 354 ? 65.021 42.686 40.938 1.00 9.30 ? 354 ASN A N 1 ATOM 2668 C CA . ASN A 1 354 ? 66.361 42.166 41.166 1.00 9.72 ? 354 ASN A CA 1 ATOM 2669 C C . ASN A 1 354 ? 66.510 41.686 42.582 1.00 8.63 ? 354 ASN A C 1 ATOM 2670 O O . ASN A 1 354 ? 65.767 42.158 43.479 1.00 9.97 ? 354 ASN A O 1 ATOM 2671 C CB . ASN A 1 354 ? 67.394 43.248 40.862 1.00 14.69 ? 354 ASN A CB 1 ATOM 2672 C CG . ASN A 1 354 ? 67.491 43.608 39.385 1.00 24.84 ? 354 ASN A CG 1 ATOM 2673 O OD1 . ASN A 1 354 ? 67.729 44.809 39.145 1.00 41.02 ? 354 ASN A OD1 1 ATOM 2674 N ND2 . ASN A 1 354 ? 67.451 42.650 38.461 1.00 34.58 ? 354 ASN A ND2 1 ATOM 2675 N N . GLY A 1 355 ? 67.419 40.794 42.848 1.00 9.18 ? 355 GLY A N 1 ATOM 2676 C CA . GLY A 1 355 ? 67.649 40.319 44.210 1.00 10.13 ? 355 GLY A CA 1 ATOM 2677 C C . GLY A 1 355 ? 68.787 39.369 44.274 1.00 9.38 ? 355 GLY A C 1 ATOM 2678 O O . GLY A 1 355 ? 69.553 39.186 43.310 1.00 11.49 ? 355 GLY A O 1 ATOM 2679 N N . PRO A 1 356 ? 68.954 38.743 45.442 1.00 10.23 ? 356 PRO A N 1 ATOM 2680 C CA . PRO A 1 356 ? 70.160 37.979 45.745 1.00 10.61 ? 356 PRO A CA 1 ATOM 2681 C C . PRO A 1 356 ? 70.203 36.603 45.129 1.00 11.38 ? 356 PRO A C 1 ATOM 2682 O O . PRO A 1 356 ? 71.277 35.999 45.135 1.00 12.73 ? 356 PRO A O 1 ATOM 2683 C CB . PRO A 1 356 ? 70.187 37.946 47.270 1.00 11.69 ? 356 PRO A CB 1 ATOM 2684 C CG . PRO A 1 356 ? 68.722 38.020 47.656 1.00 11.14 ? 356 PRO A CG 1 ATOM 2685 C CD . PRO A 1 356 ? 68.121 38.942 46.636 1.00 11.14 ? 356 PRO A CD 1 ATOM 2686 N N . ALA A 1 357 ? 69.069 36.045 44.742 1.00 10.25 ? 357 ALA A N 1 ATOM 2687 C CA . ALA A 1 357 ? 69.054 34.708 44.256 1.00 10.65 ? 357 ALA A CA 1 ATOM 2688 C C . ALA A 1 357 ? 69.520 34.657 42.898 1.00 13.49 ? 357 ALA A C 1 ATOM 2689 O O . ALA A 1 357 ? 70.100 33.544 42.153 1.00 16.58 ? 357 ALA A O 1 ATOM 2690 C CB . ALA A 1 357 ? 67.667 34.072 44.297 1.00 10.59 ? 357 ALA A CB 1 ATOM 2691 O OXT . ALA A 1 357 ? 69.383 35.845 41.951 1.00 14.33 ? 357 ALA A OXT 1 HETATM 2692 C C1 . NAG B 2 . ? 61.950 36.682 58.740 1.00 10.88 ? 361 NAG A C1 1 HETATM 2693 C C2 . NAG B 2 . ? 61.484 38.019 59.269 1.00 11.23 ? 361 NAG A C2 1 HETATM 2694 C C3 . NAG B 2 . ? 61.917 39.166 58.345 1.00 12.36 ? 361 NAG A C3 1 HETATM 2695 C C4 . NAG B 2 . ? 63.416 39.059 58.041 1.00 12.10 ? 361 NAG A C4 1 HETATM 2696 C C5 . NAG B 2 . ? 63.760 37.632 57.548 1.00 12.32 ? 361 NAG A C5 1 HETATM 2697 C C6 . NAG B 2 . ? 65.221 37.430 57.213 1.00 16.14 ? 361 NAG A C6 1 HETATM 2698 C C7 . NAG B 2 . ? 59.438 37.677 60.568 1.00 11.18 ? 361 NAG A C7 1 HETATM 2699 C C8 . NAG B 2 . ? 57.935 37.538 60.529 1.00 12.29 ? 361 NAG A C8 1 HETATM 2700 N N2 . NAG B 2 . ? 60.056 37.983 59.429 1.00 11.34 ? 361 NAG A N2 1 HETATM 2701 O O3 . NAG B 2 . ? 61.602 40.407 58.980 1.00 14.07 ? 361 NAG A O3 1 HETATM 2702 O O4 . NAG B 2 . ? 63.792 39.965 56.971 1.00 13.40 ? 361 NAG A O4 1 HETATM 2703 O O5 . NAG B 2 . ? 63.357 36.678 58.496 1.00 11.54 ? 361 NAG A O5 1 HETATM 2704 O O6 . NAG B 2 . ? 65.973 37.639 58.364 1.00 17.57 ? 361 NAG A O6 1 HETATM 2705 O O7 . NAG B 2 . ? 60.051 37.500 61.614 1.00 12.67 ? 361 NAG A O7 1 HETATM 2706 C C1 . NAG C 2 . ? 64.268 41.214 57.404 1.00 15.39 ? 362 NAG A C1 1 HETATM 2707 C C2 . NAG C 2 . ? 65.186 41.796 56.314 1.00 16.15 ? 362 NAG A C2 1 HETATM 2708 C C3 . NAG C 2 . ? 65.630 43.192 56.758 1.00 19.28 ? 362 NAG A C3 1 HETATM 2709 C C4 . NAG C 2 . ? 64.431 44.087 57.131 1.00 19.23 ? 362 NAG A C4 1 HETATM 2710 C C5 . NAG C 2 . ? 63.526 43.362 58.126 1.00 18.32 ? 362 NAG A C5 1 HETATM 2711 C C6 . NAG C 2 . ? 62.219 44.114 58.366 1.00 18.44 ? 362 NAG A C6 1 HETATM 2712 C C7 . NAG C 2 . ? 66.649 40.270 55.063 1.00 15.73 ? 362 NAG A C7 1 HETATM 2713 C C8 . NAG C 2 . ? 67.859 39.361 55.043 1.00 17.34 ? 362 NAG A C8 1 HETATM 2714 N N2 . NAG C 2 . ? 66.303 40.872 56.196 1.00 16.94 ? 362 NAG A N2 1 HETATM 2715 O O3 . NAG C 2 . ? 66.321 43.771 55.701 1.00 23.91 ? 362 NAG A O3 1 HETATM 2716 O O4 . NAG C 2 . ? 64.893 45.314 57.706 1.00 22.28 ? 362 NAG A O4 1 HETATM 2717 O O5 . NAG C 2 . ? 63.154 42.081 57.584 1.00 16.19 ? 362 NAG A O5 1 HETATM 2718 O O6 . NAG C 2 . ? 61.496 43.532 59.419 1.00 20.18 ? 362 NAG A O6 1 HETATM 2719 O O7 . NAG C 2 . ? 66.009 40.389 54.022 1.00 14.38 ? 362 NAG A O7 1 HETATM 2720 C C1 . MAN D 3 . ? 43.704 27.933 15.645 1.00 16.07 ? 364 MAN A C1 1 HETATM 2721 C C2 . MAN D 3 . ? 42.296 27.563 15.194 1.00 20.45 ? 364 MAN A C2 1 HETATM 2722 C C3 . MAN D 3 . ? 42.280 26.343 14.240 1.00 21.29 ? 364 MAN A C3 1 HETATM 2723 C C4 . MAN D 3 . ? 43.262 26.552 13.084 1.00 19.50 ? 364 MAN A C4 1 HETATM 2724 C C5 . MAN D 3 . ? 44.616 27.026 13.597 1.00 15.55 ? 364 MAN A C5 1 HETATM 2725 C C6 . MAN D 3 . ? 45.515 27.538 12.507 1.00 19.27 ? 364 MAN A C6 1 HETATM 2726 O O2 . MAN D 3 . ? 41.697 28.638 14.482 1.00 21.51 ? 364 MAN A O2 1 HETATM 2727 O O3 . MAN D 3 . ? 40.973 26.218 13.718 1.00 26.03 ? 364 MAN A O3 1 HETATM 2728 O O4 . MAN D 3 . ? 43.352 25.365 12.310 1.00 23.56 ? 364 MAN A O4 1 HETATM 2729 O O5 . MAN D 3 . ? 44.525 28.138 14.481 1.00 15.77 ? 364 MAN A O5 1 HETATM 2730 O O6 . MAN D 3 . ? 46.856 27.797 12.809 1.00 32.01 ? 364 MAN A O6 1 HETATM 2731 CA CA . CA E 4 . ? 45.708 24.296 31.057 1.00 5.93 ? 371 CA A CA 1 HETATM 2732 CA CA . CA F 4 . ? 62.252 24.584 51.824 1.00 5.64 ? 372 CA A CA 1 HETATM 2733 C C1 . GOL G 5 . ? 58.068 45.970 46.953 1.00 28.00 ? 391 GOL A C1 1 HETATM 2734 O O1 . GOL G 5 . ? 59.262 46.650 47.171 1.00 19.33 ? 391 GOL A O1 1 HETATM 2735 C C2 . GOL G 5 . ? 56.805 46.757 47.018 1.00 17.97 ? 391 GOL A C2 1 HETATM 2736 O O2 . GOL G 5 . ? 56.672 47.522 48.213 1.00 18.68 ? 391 GOL A O2 1 HETATM 2737 C C3 . GOL G 5 . ? 55.597 45.973 46.661 1.00 15.25 ? 391 GOL A C3 1 HETATM 2738 O O3 . GOL G 5 . ? 54.517 46.801 46.547 1.00 13.39 ? 391 GOL A O3 1 HETATM 2739 C C1 . GOL H 5 . ? 67.719 31.244 58.738 1.00 26.39 ? 392 GOL A C1 1 HETATM 2740 O O1 . GOL H 5 . ? 66.702 31.015 59.609 1.00 19.15 ? 392 GOL A O1 1 HETATM 2741 C C2 . GOL H 5 . ? 68.279 32.636 58.622 1.00 23.78 ? 392 GOL A C2 1 HETATM 2742 O O2 . GOL H 5 . ? 67.361 33.595 58.112 1.00 20.98 ? 392 GOL A O2 1 HETATM 2743 C C3 . GOL H 5 . ? 69.322 32.570 57.472 1.00 23.92 ? 392 GOL A C3 1 HETATM 2744 O O3 . GOL H 5 . ? 70.225 33.435 57.987 1.00 23.25 ? 392 GOL A O3 1 HETATM 2745 C CHA . HEM I 6 . ? 57.532 23.996 35.531 1.00 7.03 ? 396 HEM A CHA 1 HETATM 2746 C CHB . HEM I 6 . ? 59.367 19.583 36.254 1.00 7.45 ? 396 HEM A CHB 1 HETATM 2747 C CHC . HEM I 6 . ? 56.156 18.818 39.711 1.00 8.06 ? 396 HEM A CHC 1 HETATM 2748 C CHD . HEM I 6 . ? 54.552 23.312 39.255 1.00 7.94 ? 396 HEM A CHD 1 HETATM 2749 C C1A . HEM I 6 . ? 58.350 22.859 35.439 1.00 7.29 ? 396 HEM A C1A 1 HETATM 2750 C C2A . HEM I 6 . ? 59.486 22.739 34.561 1.00 7.26 ? 396 HEM A C2A 1 HETATM 2751 C C3A . HEM I 6 . ? 60.026 21.526 34.771 1.00 7.21 ? 396 HEM A C3A 1 HETATM 2752 C C4A . HEM I 6 . ? 59.205 20.864 35.745 1.00 6.91 ? 396 HEM A C4A 1 HETATM 2753 C CMA . HEM I 6 . ? 61.243 20.873 34.141 1.00 8.24 ? 396 HEM A CMA 1 HETATM 2754 C CAA . HEM I 6 . ? 60.038 23.829 33.666 1.00 7.78 ? 396 HEM A CAA 1 HETATM 2755 C CBA . HEM I 6 . ? 61.053 24.742 34.336 1.00 8.80 ? 396 HEM A CBA 1 HETATM 2756 C CGA . HEM I 6 . ? 61.774 25.594 33.311 1.00 9.28 ? 396 HEM A CGA 1 HETATM 2757 O O1A . HEM I 6 . ? 62.561 25.048 32.520 1.00 9.92 ? 396 HEM A O1A 1 HETATM 2758 O O2A . HEM I 6 . ? 61.527 26.826 33.278 1.00 10.08 ? 396 HEM A O2A 1 HETATM 2759 C C1B . HEM I 6 . ? 58.628 18.937 37.209 1.00 6.95 ? 396 HEM A C1B 1 HETATM 2760 C C2B . HEM I 6 . ? 58.836 17.586 37.677 1.00 7.15 ? 396 HEM A C2B 1 HETATM 2761 C C3B . HEM I 6 . ? 57.854 17.335 38.608 1.00 8.01 ? 396 HEM A C3B 1 HETATM 2762 C C4B . HEM I 6 . ? 57.114 18.576 38.778 1.00 7.83 ? 396 HEM A C4B 1 HETATM 2763 C CMB . HEM I 6 . ? 59.936 16.662 37.188 1.00 7.84 ? 396 HEM A CMB 1 HETATM 2764 C CAB . HEM I 6 . ? 57.612 16.162 39.329 1.00 9.45 ? 396 HEM A CAB 1 HETATM 2765 C CBB . HEM I 6 . ? 57.797 14.873 38.931 1.00 13.31 ? 396 HEM A CBB 1 HETATM 2766 C C1C . HEM I 6 . ? 55.481 20.011 39.962 1.00 8.31 ? 396 HEM A C1C 1 HETATM 2767 C C2C . HEM I 6 . ? 54.537 20.217 41.027 1.00 8.46 ? 396 HEM A C2C 1 HETATM 2768 C C3C . HEM I 6 . ? 54.151 21.525 40.977 1.00 8.01 ? 396 HEM A C3C 1 HETATM 2769 C C4C . HEM I 6 . ? 54.819 22.080 39.816 1.00 7.85 ? 396 HEM A C4C 1 HETATM 2770 C CMC . HEM I 6 . ? 54.273 19.247 42.121 1.00 9.18 ? 396 HEM A CMC 1 HETATM 2771 C CAC . HEM I 6 . ? 53.297 22.255 41.860 1.00 9.64 ? 396 HEM A CAC 1 HETATM 2772 C CBC . HEM I 6 . ? 52.225 21.791 42.565 1.00 11.04 ? 396 HEM A CBC 1 HETATM 2773 C C1D . HEM I 6 . ? 55.111 23.849 38.107 1.00 7.63 ? 396 HEM A C1D 1 HETATM 2774 C C2D . HEM I 6 . ? 54.799 25.125 37.528 1.00 7.02 ? 396 HEM A C2D 1 HETATM 2775 C C3D . HEM I 6 . ? 55.638 25.313 36.482 1.00 7.53 ? 396 HEM A C3D 1 HETATM 2776 C C4D . HEM I 6 . ? 56.482 24.149 36.409 1.00 7.15 ? 396 HEM A C4D 1 HETATM 2777 C CMD . HEM I 6 . ? 53.638 26.012 37.949 1.00 7.70 ? 396 HEM A CMD 1 HETATM 2778 C CAD . HEM I 6 . ? 55.684 26.491 35.536 1.00 7.15 ? 396 HEM A CAD 1 HETATM 2779 C CBD . HEM I 6 . ? 56.664 27.562 35.903 1.00 9.11 ? 396 HEM A CBD 1 HETATM 2780 C CGD . HEM I 6 . ? 56.633 28.727 34.935 1.00 10.78 ? 396 HEM A CGD 1 HETATM 2781 O O1D . HEM I 6 . ? 57.339 29.690 35.243 1.00 18.40 ? 396 HEM A O1D 1 HETATM 2782 O O2D . HEM I 6 . ? 55.819 28.685 33.985 1.00 9.30 ? 396 HEM A O2D 1 HETATM 2783 N NA . HEM I 6 . ? 58.168 21.705 36.127 1.00 7.27 ? 396 HEM A NA 1 HETATM 2784 N NB . HEM I 6 . ? 57.572 19.533 37.878 1.00 7.48 ? 396 HEM A NB 1 HETATM 2785 N NC . HEM I 6 . ? 55.607 21.148 39.193 1.00 7.90 ? 396 HEM A NC 1 HETATM 2786 N ND . HEM I 6 . ? 56.130 23.244 37.397 1.00 7.49 ? 396 HEM A ND 1 HETATM 2787 FE FE . HEM I 6 . ? 56.725 21.319 37.515 1.00 6.19 ? 396 HEM A FE 1 HETATM 2788 O O . HOH J 7 . ? 54.883 17.659 29.939 1.00 8.45 ? 1001 HOH A O 1 HETATM 2789 O O . HOH J 7 . ? 62.615 26.007 27.435 1.00 10.45 ? 1002 HOH A O 1 HETATM 2790 O O . HOH J 7 . ? 53.183 18.590 27.865 1.00 6.82 ? 1003 HOH A O 1 HETATM 2791 O O . HOH J 7 . ? 48.665 25.665 54.244 1.00 7.85 ? 1004 HOH A O 1 HETATM 2792 O O . HOH J 7 . ? 47.247 7.420 30.921 1.00 8.30 ? 1005 HOH A O 1 HETATM 2793 O O . HOH J 7 . ? 45.021 29.323 28.857 1.00 9.51 ? 1006 HOH A O 1 HETATM 2794 O O . HOH J 7 . ? 51.733 9.866 24.948 1.00 9.13 ? 1007 HOH A O 1 HETATM 2795 O O . HOH J 7 . ? 51.948 30.386 26.456 1.00 8.78 ? 1008 HOH A O 1 HETATM 2796 O O . HOH J 7 . ? 61.740 6.860 32.523 1.00 14.09 ? 1009 HOH A O 1 HETATM 2797 O O . HOH J 7 . ? 68.071 20.139 44.140 1.00 8.58 ? 1010 HOH A O 1 HETATM 2798 O O . HOH J 7 . ? 44.744 22.890 49.797 1.00 8.25 ? 1011 HOH A O 1 HETATM 2799 O O . HOH J 7 . ? 60.249 30.775 57.179 1.00 7.56 ? 1012 HOH A O 1 HETATM 2800 O O . HOH J 7 . ? 52.190 27.829 19.786 1.00 12.79 ? 1013 HOH A O 1 HETATM 2801 O O . HOH J 7 . ? 59.007 27.167 58.694 1.00 8.73 ? 1014 HOH A O 1 HETATM 2802 O O . HOH J 7 . ? 35.179 15.637 37.565 1.00 10.28 ? 1015 HOH A O 1 HETATM 2803 O O . HOH J 7 . ? 66.265 22.538 46.781 1.00 7.38 ? 1016 HOH A O 1 HETATM 2804 O O . HOH J 7 . ? 53.015 29.789 23.866 1.00 8.44 ? 1017 HOH A O 1 HETATM 2805 O O . HOH J 7 . ? 43.882 28.876 45.791 1.00 8.21 ? 1018 HOH A O 1 HETATM 2806 O O . HOH J 7 . ? 54.981 31.337 25.094 1.00 9.39 ? 1019 HOH A O 1 HETATM 2807 O O . HOH J 7 . ? 37.817 27.672 40.256 1.00 9.80 ? 1020 HOH A O 1 HETATM 2808 O O . HOH J 7 . ? 57.217 35.713 40.122 1.00 12.34 ? 1021 HOH A O 1 HETATM 2809 O O . HOH J 7 . ? 56.970 2.529 42.902 1.00 8.96 ? 1022 HOH A O 1 HETATM 2810 O O . HOH J 7 . ? 72.132 23.264 55.573 1.00 8.92 ? 1023 HOH A O 1 HETATM 2811 O O . HOH J 7 . ? 50.276 24.430 30.810 1.00 7.56 ? 1024 HOH A O 1 HETATM 2812 O O . HOH J 7 . ? 50.731 36.481 36.699 1.00 10.29 ? 1025 HOH A O 1 HETATM 2813 O O . HOH J 7 . ? 52.328 17.038 25.711 1.00 7.54 ? 1026 HOH A O 1 HETATM 2814 O O . HOH J 7 . ? 67.251 19.764 46.762 1.00 7.06 ? 1027 HOH A O 1 HETATM 2815 O O . HOH J 7 . ? 52.976 41.916 57.891 1.00 13.14 ? 1028 HOH A O 1 HETATM 2816 O O . HOH J 7 . ? 50.191 26.679 49.329 1.00 8.60 ? 1029 HOH A O 1 HETATM 2817 O O . HOH J 7 . ? 45.238 14.025 45.675 1.00 8.98 ? 1030 HOH A O 1 HETATM 2818 O O . HOH J 7 . ? 67.341 17.643 42.981 1.00 8.02 ? 1031 HOH A O 1 HETATM 2819 O O . HOH J 7 . ? 45.897 6.030 28.989 1.00 9.68 ? 1032 HOH A O 1 HETATM 2820 O O . HOH J 7 . ? 58.523 10.110 23.267 1.00 20.13 ? 1033 HOH A O 1 HETATM 2821 O O . HOH J 7 . ? 45.687 23.493 17.880 1.00 12.91 ? 1034 HOH A O 1 HETATM 2822 O O . HOH J 7 . ? 70.002 26.998 39.411 1.00 13.07 ? 1035 HOH A O 1 HETATM 2823 O O . HOH J 7 . ? 56.361 11.955 23.236 1.00 9.29 ? 1036 HOH A O 1 HETATM 2824 O O . HOH J 7 . ? 34.456 17.480 24.331 1.00 11.43 ? 1037 HOH A O 1 HETATM 2825 O O . HOH J 7 . ? 52.146 36.228 31.524 1.00 14.44 ? 1038 HOH A O 1 HETATM 2826 O O . HOH J 7 . ? 53.648 40.694 36.532 1.00 9.80 ? 1039 HOH A O 1 HETATM 2827 O O . HOH J 7 . ? 57.886 30.506 31.210 1.00 25.03 ? 1040 HOH A O 1 HETATM 2828 O O . HOH J 7 . ? 47.917 6.024 44.897 1.00 11.95 ? 1041 HOH A O 1 HETATM 2829 O O . HOH J 7 . ? 47.630 23.062 54.097 1.00 9.58 ? 1042 HOH A O 1 HETATM 2830 O O . HOH J 7 . ? 71.785 25.889 56.562 1.00 9.02 ? 1043 HOH A O 1 HETATM 2831 O O . HOH J 7 . ? 70.452 19.698 41.297 1.00 8.81 ? 1044 HOH A O 1 HETATM 2832 O O . HOH J 7 . ? 58.001 26.772 19.225 1.00 19.29 ? 1045 HOH A O 1 HETATM 2833 O O . HOH J 7 . ? 67.586 41.024 49.687 1.00 17.80 ? 1046 HOH A O 1 HETATM 2834 O O . HOH J 7 . ? 56.145 38.010 54.455 1.00 9.99 ? 1047 HOH A O 1 HETATM 2835 O O . HOH J 7 . ? 39.669 18.315 48.095 1.00 10.16 ? 1048 HOH A O 1 HETATM 2836 O O . HOH J 7 . ? 53.625 17.469 57.532 1.00 14.31 ? 1049 HOH A O 1 HETATM 2837 O O . HOH J 7 . ? 56.779 15.959 35.571 1.00 11.35 ? 1050 HOH A O 1 HETATM 2838 O O . HOH J 7 . ? 44.201 43.370 57.625 1.00 25.38 ? 1051 HOH A O 1 HETATM 2839 O O . HOH J 7 . ? 62.446 21.613 22.038 1.00 11.24 ? 1052 HOH A O 1 HETATM 2840 O O . HOH J 7 . ? 64.546 16.542 55.907 1.00 9.49 ? 1053 HOH A O 1 HETATM 2841 O O . HOH J 7 . ? 59.744 -0.563 36.160 1.00 13.35 ? 1054 HOH A O 1 HETATM 2842 O O . HOH J 7 . ? 71.821 21.100 57.262 1.00 10.85 ? 1055 HOH A O 1 HETATM 2843 O O . HOH J 7 . ? 67.567 29.761 39.863 1.00 11.08 ? 1056 HOH A O 1 HETATM 2844 O O . HOH J 7 . ? 59.743 33.464 30.156 1.00 26.84 ? 1057 HOH A O 1 HETATM 2845 O O . HOH J 7 . ? 62.600 12.475 41.502 1.00 13.43 ? 1058 HOH A O 1 HETATM 2846 O O . HOH J 7 . ? 39.649 29.771 58.702 1.00 31.27 ? 1059 HOH A O 1 HETATM 2847 O O . HOH J 7 . ? 50.889 42.245 55.963 1.00 11.42 ? 1060 HOH A O 1 HETATM 2848 O O . HOH J 7 . ? 64.161 20.474 37.921 1.00 27.34 ? 1061 HOH A O 1 HETATM 2849 O O . HOH J 7 . ? 64.446 45.527 40.886 1.00 16.85 ? 1062 HOH A O 1 HETATM 2850 O O . HOH J 7 . ? 58.123 5.836 29.494 1.00 16.22 ? 1063 HOH A O 1 HETATM 2851 O O . HOH J 7 . ? 64.623 40.805 45.629 1.00 10.81 ? 1064 HOH A O 1 HETATM 2852 O O . HOH J 7 . ? 55.215 21.664 63.770 1.00 14.57 ? 1065 HOH A O 1 HETATM 2853 O O . HOH J 7 . ? 73.112 22.472 51.066 1.00 13.95 ? 1066 HOH A O 1 HETATM 2854 O O . HOH J 7 . ? 37.306 11.059 22.418 1.00 12.65 ? 1067 HOH A O 1 HETATM 2855 O O . HOH J 7 . ? 71.891 32.296 51.057 1.00 9.66 ? 1068 HOH A O 1 HETATM 2856 O O . HOH J 7 . ? 75.212 21.268 44.795 1.00 17.08 ? 1069 HOH A O 1 HETATM 2857 O O . HOH J 7 . ? 66.942 36.577 52.512 1.00 20.26 ? 1070 HOH A O 1 HETATM 2858 O O . HOH J 7 . ? 58.047 33.241 24.285 1.00 18.71 ? 1071 HOH A O 1 HETATM 2859 O O . HOH J 7 . ? 48.614 26.743 51.654 1.00 8.16 ? 1072 HOH A O 1 HETATM 2860 O O . HOH J 7 . ? 56.166 24.153 62.846 1.00 17.45 ? 1073 HOH A O 1 HETATM 2861 O O . HOH J 7 . ? 64.212 23.157 33.665 1.00 15.33 ? 1074 HOH A O 1 HETATM 2862 O O . HOH J 7 . ? 58.014 14.725 55.967 1.00 11.62 ? 1075 HOH A O 1 HETATM 2863 O O . HOH J 7 . ? 64.685 13.182 43.294 1.00 24.91 ? 1076 HOH A O 1 HETATM 2864 O O . HOH J 7 . ? 62.888 35.986 62.268 1.00 20.89 ? 1077 HOH A O 1 HETATM 2865 O O . HOH J 7 . ? 36.288 20.396 42.501 1.00 12.05 ? 1078 HOH A O 1 HETATM 2866 O O . HOH J 7 . ? 42.255 18.033 14.176 1.00 20.31 ? 1079 HOH A O 1 HETATM 2867 O O . HOH J 7 . ? 69.428 17.062 41.347 1.00 12.67 ? 1080 HOH A O 1 HETATM 2868 O O . HOH J 7 . ? 38.037 23.429 32.901 1.00 11.30 ? 1081 HOH A O 1 HETATM 2869 O O . HOH J 7 . ? 47.133 24.608 19.998 1.00 19.02 ? 1082 HOH A O 1 HETATM 2870 O O . HOH J 7 . ? 65.990 8.201 37.040 1.00 11.21 ? 1083 HOH A O 1 HETATM 2871 O O . HOH J 7 . ? 56.752 27.340 52.372 1.00 7.10 ? 1084 HOH A O 1 HETATM 2872 O O . HOH J 7 . ? 63.244 24.311 49.672 1.00 6.25 ? 1085 HOH A O 1 HETATM 2873 O O . HOH J 7 . ? 42.624 10.229 38.376 1.00 8.35 ? 1086 HOH A O 1 HETATM 2874 O O . HOH J 7 . ? 65.351 23.640 54.454 1.00 6.71 ? 1087 HOH A O 1 HETATM 2875 O O . HOH J 7 . ? 54.823 8.103 45.715 1.00 9.73 ? 1088 HOH A O 1 HETATM 2876 O O . HOH J 7 . ? 58.584 18.801 23.636 1.00 8.04 ? 1089 HOH A O 1 HETATM 2877 O O . HOH J 7 . ? 58.743 38.540 56.990 1.00 11.33 ? 1090 HOH A O 1 HETATM 2878 O O . HOH J 7 . ? 68.352 27.662 49.936 1.00 9.07 ? 1091 HOH A O 1 HETATM 2879 O O . HOH J 7 . ? 54.633 3.196 44.364 1.00 9.71 ? 1092 HOH A O 1 HETATM 2880 O O . HOH J 7 . ? 54.533 10.345 21.661 1.00 12.17 ? 1093 HOH A O 1 HETATM 2881 O O . HOH J 7 . ? 40.846 28.716 51.197 1.00 9.21 ? 1094 HOH A O 1 HETATM 2882 O O . HOH J 7 . ? 47.188 23.904 50.526 1.00 8.22 ? 1095 HOH A O 1 HETATM 2883 O O . HOH J 7 . ? 38.637 30.004 31.210 1.00 12.55 ? 1096 HOH A O 1 HETATM 2884 O O . HOH J 7 . ? 39.209 20.174 31.190 1.00 8.69 ? 1097 HOH A O 1 HETATM 2885 O O . HOH J 7 . ? 51.003 17.538 59.609 1.00 18.13 ? 1098 HOH A O 1 HETATM 2886 O O . HOH J 7 . ? 52.214 17.005 55.186 1.00 11.14 ? 1099 HOH A O 1 HETATM 2887 O O . HOH J 7 . ? 65.068 29.723 27.317 1.00 32.68 ? 1100 HOH A O 1 HETATM 2888 O O . HOH J 7 . ? 42.563 26.483 63.576 1.00 25.60 ? 1101 HOH A O 1 HETATM 2889 O O . HOH J 7 . ? 45.636 29.081 24.929 1.00 22.76 ? 1102 HOH A O 1 HETATM 2890 O O . HOH J 7 . ? 39.847 7.329 32.695 1.00 20.77 ? 1103 HOH A O 1 HETATM 2891 O O . HOH J 7 . ? 53.560 35.601 29.248 1.00 10.64 ? 1104 HOH A O 1 HETATM 2892 O O . HOH J 7 . ? 57.404 45.782 35.159 1.00 11.27 ? 1105 HOH A O 1 HETATM 2893 O O . HOH J 7 . ? 52.475 47.574 42.991 1.00 13.22 ? 1106 HOH A O 1 HETATM 2894 O O . HOH J 7 . ? 59.851 8.045 29.043 1.00 16.71 ? 1107 HOH A O 1 HETATM 2895 O O . HOH J 7 . ? 59.316 28.093 33.610 1.00 26.47 ? 1108 HOH A O 1 HETATM 2896 O O . HOH J 7 . ? 57.741 4.876 45.945 1.00 15.54 ? 1109 HOH A O 1 HETATM 2897 O O . HOH J 7 . ? 64.351 10.438 47.983 1.00 15.66 ? 1110 HOH A O 1 HETATM 2898 O O . HOH J 7 . ? 36.168 9.575 20.243 1.00 13.01 ? 1111 HOH A O 1 HETATM 2899 O O . HOH J 7 . ? 68.449 23.663 23.644 1.00 19.73 ? 1112 HOH A O 1 HETATM 2900 O O . HOH J 7 . ? 56.670 16.754 57.312 1.00 13.70 ? 1113 HOH A O 1 HETATM 2901 O O . HOH J 7 . ? 43.772 10.048 47.837 1.00 22.09 ? 1114 HOH A O 1 HETATM 2902 O O . HOH J 7 . ? 43.996 2.599 21.715 1.00 13.67 ? 1115 HOH A O 1 HETATM 2903 O O . HOH J 7 . ? 65.083 20.849 59.336 1.00 14.41 ? 1116 HOH A O 1 HETATM 2904 O O . HOH J 7 . ? 65.094 34.516 59.626 1.00 15.18 ? 1117 HOH A O 1 HETATM 2905 O O . HOH J 7 . ? 43.348 3.464 28.281 1.00 11.61 ? 1118 HOH A O 1 HETATM 2906 O O . HOH J 7 . ? 41.150 28.245 28.132 1.00 18.34 ? 1119 HOH A O 1 HETATM 2907 O O . HOH J 7 . ? 55.245 37.686 29.516 1.00 23.21 ? 1120 HOH A O 1 HETATM 2908 O O . HOH J 7 . ? 65.979 14.491 41.123 1.00 11.88 ? 1121 HOH A O 1 HETATM 2909 O O . HOH J 7 . ? 55.155 32.590 61.770 1.00 13.35 ? 1122 HOH A O 1 HETATM 2910 O O . HOH J 7 . ? 60.491 11.780 21.899 1.00 16.47 ? 1123 HOH A O 1 HETATM 2911 O O . HOH J 7 . ? 36.545 20.430 31.793 1.00 12.90 ? 1124 HOH A O 1 HETATM 2912 O O . HOH J 7 . ? 53.736 33.977 59.803 1.00 9.18 ? 1125 HOH A O 1 HETATM 2913 O O . HOH J 7 . ? 61.589 7.363 53.415 1.00 19.20 ? 1126 HOH A O 1 HETATM 2914 O O . HOH J 7 . ? 63.648 22.835 52.527 1.00 6.37 ? 1127 HOH A O 1 HETATM 2915 O O . HOH J 7 . ? 40.179 13.040 45.094 1.00 15.90 ? 1128 HOH A O 1 HETATM 2916 O O . HOH J 7 . ? 58.023 4.094 33.400 1.00 9.31 ? 1129 HOH A O 1 HETATM 2917 O O . HOH J 7 . ? 36.083 27.416 27.895 1.00 21.67 ? 1130 HOH A O 1 HETATM 2918 O O . HOH J 7 . ? 56.333 4.980 31.425 1.00 9.26 ? 1131 HOH A O 1 HETATM 2919 O O . HOH J 7 . ? 47.215 4.336 37.898 1.00 10.45 ? 1132 HOH A O 1 HETATM 2920 O O . HOH J 7 . ? 48.327 1.037 39.232 1.00 11.89 ? 1133 HOH A O 1 HETATM 2921 O O . HOH J 7 . ? 46.816 30.073 15.444 1.00 21.41 ? 1134 HOH A O 1 HETATM 2922 O O . HOH J 7 . ? 72.822 26.491 59.112 1.00 9.78 ? 1135 HOH A O 1 HETATM 2923 O O . HOH J 7 . ? 64.578 23.518 59.773 1.00 11.76 ? 1136 HOH A O 1 HETATM 2924 O O . HOH J 7 . ? 58.480 22.048 38.922 1.00 27.73 ? 1137 HOH A O 1 HETATM 2925 O O . HOH J 7 . ? 43.819 5.823 18.973 1.00 21.98 ? 1138 HOH A O 1 HETATM 2926 O O . HOH J 7 . ? 53.588 19.579 67.796 1.00 30.11 ? 1139 HOH A O 1 HETATM 2927 O O . HOH J 7 . ? 45.500 -3.320 34.548 1.00 18.32 ? 1140 HOH A O 1 HETATM 2928 O O . HOH J 7 . ? 53.220 38.082 35.129 1.00 12.26 ? 1141 HOH A O 1 HETATM 2929 O O . HOH J 7 . ? 42.467 38.258 51.471 1.00 19.99 ? 1142 HOH A O 1 HETATM 2930 O O . HOH J 7 . ? 38.855 34.398 32.578 1.00 21.56 ? 1143 HOH A O 1 HETATM 2931 O O . HOH J 7 . ? 46.298 4.007 21.924 1.00 13.38 ? 1144 HOH A O 1 HETATM 2932 O O . HOH J 7 . ? 31.551 27.637 36.207 1.00 31.52 ? 1145 HOH A O 1 HETATM 2933 O O . HOH J 7 . ? 41.240 19.507 50.082 1.00 10.75 ? 1146 HOH A O 1 HETATM 2934 O O . HOH J 7 . ? 49.640 13.486 17.357 1.00 30.89 ? 1147 HOH A O 1 HETATM 2935 O O . HOH J 7 . ? 69.444 14.271 48.591 1.00 24.06 ? 1148 HOH A O 1 HETATM 2936 O O . HOH J 7 . ? 58.583 38.002 30.773 1.00 24.78 ? 1149 HOH A O 1 HETATM 2937 O O . HOH J 7 . ? 67.387 20.290 29.259 1.00 23.98 ? 1150 HOH A O 1 HETATM 2938 O O . HOH J 7 . ? 61.287 26.177 59.865 1.00 14.57 ? 1151 HOH A O 1 HETATM 2939 O O . HOH J 7 . ? 41.673 36.523 40.404 1.00 15.17 ? 1152 HOH A O 1 HETATM 2940 O O . HOH J 7 . ? 69.232 15.035 60.195 1.00 26.10 ? 1153 HOH A O 1 HETATM 2941 O O . HOH J 7 . ? 50.059 28.907 65.101 1.00 22.39 ? 1154 HOH A O 1 HETATM 2942 O O . HOH J 7 . ? 68.193 13.747 38.584 1.00 15.11 ? 1155 HOH A O 1 HETATM 2943 O O . HOH J 7 . ? 30.954 1.491 33.851 1.00 24.70 ? 1156 HOH A O 1 HETATM 2944 O O . HOH J 7 . ? 64.441 18.015 23.105 1.00 17.12 ? 1157 HOH A O 1 HETATM 2945 O O . HOH J 7 . ? 44.831 34.914 33.828 1.00 16.27 ? 1158 HOH A O 1 HETATM 2946 O O . HOH J 7 . ? 45.361 13.507 49.891 1.00 31.10 ? 1159 HOH A O 1 HETATM 2947 O O . HOH J 7 . ? 60.410 3.789 36.582 1.00 8.77 ? 1160 HOH A O 1 HETATM 2948 O O . HOH J 7 . ? 50.950 26.098 67.544 1.00 11.93 ? 1161 HOH A O 1 HETATM 2949 O O . HOH J 7 . ? 61.148 31.775 39.279 1.00 11.02 ? 1162 HOH A O 1 HETATM 2950 O O . HOH J 7 . ? 59.227 4.092 43.730 1.00 10.36 ? 1163 HOH A O 1 HETATM 2951 O O . HOH J 7 . ? 60.576 21.831 59.307 1.00 12.21 ? 1164 HOH A O 1 HETATM 2952 O O . HOH J 7 . ? 43.367 33.004 32.497 1.00 9.75 ? 1165 HOH A O 1 HETATM 2953 O O . HOH J 7 . ? 64.059 9.007 44.639 1.00 12.07 ? 1166 HOH A O 1 HETATM 2954 O O . HOH J 7 . ? 38.856 10.351 32.057 1.00 12.49 ? 1167 HOH A O 1 HETATM 2955 O O . HOH J 7 . ? 49.542 17.879 15.844 1.00 21.15 ? 1168 HOH A O 1 HETATM 2956 O O . HOH J 7 . ? 58.450 23.554 16.197 1.00 16.13 ? 1169 HOH A O 1 HETATM 2957 O O . HOH J 7 . ? 73.338 21.205 41.506 1.00 12.54 ? 1170 HOH A O 1 HETATM 2958 O O . HOH J 7 . ? 38.194 24.978 46.683 1.00 12.65 ? 1171 HOH A O 1 HETATM 2959 O O . HOH J 7 . ? 47.519 2.306 35.825 1.00 12.32 ? 1172 HOH A O 1 HETATM 2960 O O . HOH J 7 . ? 41.328 1.244 37.195 1.00 21.60 ? 1173 HOH A O 1 HETATM 2961 O O . HOH J 7 . ? 61.036 31.714 22.390 1.00 28.50 ? 1174 HOH A O 1 HETATM 2962 O O . HOH J 7 . ? 54.981 5.397 46.004 1.00 11.46 ? 1175 HOH A O 1 HETATM 2963 O O . HOH J 7 . ? 42.729 5.222 38.433 1.00 19.23 ? 1176 HOH A O 1 HETATM 2964 O O . HOH J 7 . ? 32.271 8.092 21.204 1.00 14.53 ? 1177 HOH A O 1 HETATM 2965 O O . HOH J 7 . ? 59.295 27.720 12.346 1.00 34.91 ? 1178 HOH A O 1 HETATM 2966 O O . HOH J 7 . ? 50.200 41.371 34.217 1.00 19.66 ? 1179 HOH A O 1 HETATM 2967 O O . HOH J 7 . ? 38.045 9.494 36.562 1.00 16.10 ? 1180 HOH A O 1 HETATM 2968 O O . HOH J 7 . ? 30.255 23.753 25.929 1.00 21.96 ? 1181 HOH A O 1 HETATM 2969 O O . HOH J 7 . ? 42.542 37.711 29.231 1.00 24.39 ? 1182 HOH A O 1 HETATM 2970 O O . HOH J 7 . ? 54.388 25.680 64.249 1.00 37.85 ? 1183 HOH A O 1 HETATM 2971 O O . HOH J 7 . ? 43.475 -2.182 26.854 1.00 24.41 ? 1184 HOH A O 1 HETATM 2972 O O . HOH J 7 . ? 51.973 21.394 14.585 1.00 16.21 ? 1185 HOH A O 1 HETATM 2973 O O . HOH J 7 . ? 32.486 15.922 25.209 1.00 22.78 ? 1186 HOH A O 1 HETATM 2974 O O . HOH J 7 . ? 62.733 15.344 57.915 1.00 13.95 ? 1187 HOH A O 1 HETATM 2975 O O . HOH J 7 . ? 58.856 31.451 20.764 1.00 22.36 ? 1188 HOH A O 1 HETATM 2976 O O . HOH J 7 . ? 61.494 23.044 16.199 1.00 25.77 ? 1189 HOH A O 1 HETATM 2977 O O . HOH J 7 . ? 51.722 35.488 60.975 1.00 25.63 ? 1190 HOH A O 1 HETATM 2978 O O . HOH J 7 . ? 55.054 30.733 32.594 1.00 10.17 ? 1191 HOH A O 1 HETATM 2979 O O . HOH J 7 . ? 60.104 5.544 34.358 1.00 9.50 ? 1192 HOH A O 1 HETATM 2980 O O . HOH J 7 . ? 39.071 25.787 33.818 1.00 10.42 ? 1193 HOH A O 1 HETATM 2981 O O . HOH J 7 . ? 47.754 18.592 55.704 1.00 13.90 ? 1194 HOH A O 1 HETATM 2982 O O . HOH J 7 . ? 42.714 38.834 44.985 1.00 16.26 ? 1195 HOH A O 1 HETATM 2983 O O . HOH J 7 . ? 76.248 33.388 49.629 1.00 13.28 ? 1196 HOH A O 1 HETATM 2984 O O . HOH J 7 . ? 37.676 27.510 32.069 1.00 11.02 ? 1197 HOH A O 1 HETATM 2985 O O . HOH J 7 . ? 66.133 41.925 47.612 1.00 13.97 ? 1198 HOH A O 1 HETATM 2986 O O . HOH J 7 . ? 33.171 37.468 64.924 1.00 26.56 ? 1199 HOH A O 1 HETATM 2987 O O . HOH J 7 . ? 60.210 14.311 57.501 1.00 18.72 ? 1200 HOH A O 1 HETATM 2988 O O . HOH J 7 . ? 64.715 23.771 36.303 1.00 17.21 ? 1201 HOH A O 1 HETATM 2989 O O . HOH J 7 . ? 50.143 3.301 41.988 1.00 13.04 ? 1202 HOH A O 1 HETATM 2990 O O . HOH J 7 . ? 38.983 26.845 51.180 1.00 14.38 ? 1204 HOH A O 1 HETATM 2991 O O . HOH J 7 . ? 67.554 10.529 37.139 1.00 15.87 ? 1205 HOH A O 1 HETATM 2992 O O . HOH J 7 . ? 53.124 14.395 54.910 1.00 17.54 ? 1206 HOH A O 1 HETATM 2993 O O . HOH J 7 . ? 73.570 37.032 46.135 1.00 23.69 ? 1207 HOH A O 1 HETATM 2994 O O . HOH J 7 . ? 40.413 19.909 13.735 1.00 21.63 ? 1208 HOH A O 1 HETATM 2995 O O . HOH J 7 . ? 66.047 19.935 36.167 1.00 22.78 ? 1209 HOH A O 1 HETATM 2996 O O . HOH J 7 . ? 62.567 19.909 59.991 1.00 15.98 ? 1210 HOH A O 1 HETATM 2997 O O . HOH J 7 . ? 65.680 32.704 35.607 1.00 25.02 ? 1211 HOH A O 1 HETATM 2998 O O . HOH J 7 . ? 41.723 7.839 39.246 1.00 14.81 ? 1212 HOH A O 1 HETATM 2999 O O . HOH J 7 . ? 43.950 12.768 47.677 1.00 14.35 ? 1213 HOH A O 1 HETATM 3000 O O . HOH J 7 . ? 48.006 49.069 43.375 1.00 19.02 ? 1214 HOH A O 1 HETATM 3001 O O . HOH J 7 . ? 58.569 34.913 28.290 1.00 36.24 ? 1215 HOH A O 1 HETATM 3002 O O . HOH J 7 . ? 37.458 25.611 49.316 1.00 16.21 ? 1216 HOH A O 1 HETATM 3003 O O . HOH J 7 . ? 37.601 20.043 47.636 1.00 13.52 ? 1217 HOH A O 1 HETATM 3004 O O . HOH J 7 . ? 41.443 38.203 24.312 1.00 18.86 ? 1218 HOH A O 1 HETATM 3005 O O . HOH J 7 . ? 49.831 17.076 56.809 1.00 20.57 ? 1219 HOH A O 1 HETATM 3006 O O . HOH J 7 . ? 67.913 35.636 54.942 1.00 19.08 ? 1220 HOH A O 1 HETATM 3007 O O . HOH J 7 . ? 43.729 0.929 23.833 1.00 14.15 ? 1221 HOH A O 1 HETATM 3008 O O . HOH J 7 . ? 65.792 37.330 39.149 1.00 29.36 ? 1222 HOH A O 1 HETATM 3009 O O . HOH J 7 . ? 74.881 24.940 43.546 1.00 22.86 ? 1223 HOH A O 1 HETATM 3010 O O . HOH J 7 . ? 44.226 -1.015 34.230 1.00 31.64 ? 1224 HOH A O 1 HETATM 3011 O O . HOH J 7 . ? 62.574 28.993 34.786 1.00 38.66 ? 1225 HOH A O 1 HETATM 3012 O O . HOH J 7 . ? 41.361 21.887 22.733 1.00 14.32 ? 1226 HOH A O 1 HETATM 3013 O O . HOH J 7 . ? 46.055 8.564 47.980 1.00 17.83 ? 1227 HOH A O 1 HETATM 3014 O O . HOH J 7 . ? 66.990 39.174 51.713 1.00 16.84 ? 1228 HOH A O 1 HETATM 3015 O O . HOH J 7 . ? 67.106 18.528 33.585 1.00 21.76 ? 1229 HOH A O 1 HETATM 3016 O O . HOH J 7 . ? 37.293 36.135 56.310 1.00 29.98 ? 1230 HOH A O 1 HETATM 3017 O O . HOH J 7 . ? 32.653 19.607 24.218 1.00 23.29 ? 1231 HOH A O 1 HETATM 3018 O O . HOH J 7 . ? 41.428 34.670 33.347 1.00 13.83 ? 1232 HOH A O 1 HETATM 3019 O O . HOH J 7 . ? 59.867 2.393 32.386 1.00 16.36 ? 1233 HOH A O 1 HETATM 3020 O O . HOH J 7 . ? 45.570 17.030 54.803 1.00 28.00 ? 1234 HOH A O 1 HETATM 3021 O O . HOH J 7 . ? 52.496 38.660 32.449 1.00 31.56 ? 1235 HOH A O 1 HETATM 3022 O O . HOH J 7 . ? 43.124 40.380 50.114 1.00 18.59 ? 1236 HOH A O 1 HETATM 3023 O O . HOH J 7 . ? 39.474 7.278 37.503 1.00 19.63 ? 1237 HOH A O 1 HETATM 3024 O O . HOH J 7 . ? 50.686 33.449 62.538 1.00 32.88 ? 1238 HOH A O 1 HETATM 3025 O O . HOH J 7 . ? 59.124 29.505 18.927 1.00 40.37 ? 1239 HOH A O 1 HETATM 3026 O O . HOH J 7 . ? 39.036 28.452 61.378 1.00 31.19 ? 1240 HOH A O 1 HETATM 3027 O O . HOH J 7 . ? 75.473 22.751 42.989 1.00 20.36 ? 1241 HOH A O 1 HETATM 3028 O O . HOH J 7 . ? 60.084 40.891 61.405 1.00 21.36 ? 1242 HOH A O 1 HETATM 3029 O O . HOH J 7 . ? 67.864 23.539 33.521 1.00 23.17 ? 1243 HOH A O 1 HETATM 3030 O O . HOH J 7 . ? 61.875 23.677 60.718 1.00 15.02 ? 1244 HOH A O 1 HETATM 3031 O O . HOH J 7 . ? 50.710 47.543 46.103 1.00 22.47 ? 1245 HOH A O 1 HETATM 3032 O O . HOH J 7 . ? 46.433 14.261 13.833 1.00 36.35 ? 1246 HOH A O 1 HETATM 3033 O O . HOH J 7 . ? 37.883 26.217 29.562 1.00 18.87 ? 1247 HOH A O 1 HETATM 3034 O O . HOH J 7 . ? 33.751 41.206 56.499 1.00 19.99 ? 1248 HOH A O 1 HETATM 3035 O O . HOH J 7 . ? 59.912 8.089 24.390 1.00 23.86 ? 1249 HOH A O 1 HETATM 3036 O O . HOH J 7 . ? 64.718 43.952 48.687 1.00 24.90 ? 1250 HOH A O 1 HETATM 3037 O O . HOH J 7 . ? 35.418 18.637 46.785 1.00 15.11 ? 1251 HOH A O 1 HETATM 3038 O O . HOH J 7 . ? 36.974 23.539 39.171 1.00 25.11 ? 1252 HOH A O 1 HETATM 3039 O O . HOH J 7 . ? 46.392 -0.105 35.579 1.00 26.46 ? 1254 HOH A O 1 HETATM 3040 O O . HOH J 7 . ? 38.299 37.120 53.911 1.00 20.97 ? 1255 HOH A O 1 HETATM 3041 O O . HOH J 7 . ? 43.561 40.159 47.163 1.00 21.16 ? 1256 HOH A O 1 HETATM 3042 O O . HOH J 7 . ? 42.701 41.304 43.402 1.00 26.89 ? 1257 HOH A O 1 HETATM 3043 O O . HOH J 7 . ? 44.007 19.170 66.216 1.00 22.26 ? 1258 HOH A O 1 HETATM 3044 O O . HOH J 7 . ? 68.818 39.988 40.316 1.00 21.96 ? 1259 HOH A O 1 HETATM 3045 O O . HOH J 7 . ? 70.971 28.414 59.851 1.00 21.81 ? 1261 HOH A O 1 HETATM 3046 O O . HOH J 7 . ? 35.472 25.829 38.467 1.00 32.31 ? 1262 HOH A O 1 HETATM 3047 O O . HOH J 7 . ? 44.560 24.878 20.493 1.00 43.19 ? 1263 HOH A O 1 HETATM 3048 O O . HOH J 7 . ? 61.164 8.306 26.850 1.00 23.62 ? 1264 HOH A O 1 HETATM 3049 O O . HOH J 7 . ? 55.750 2.344 30.814 1.00 20.66 ? 1265 HOH A O 1 HETATM 3050 O O . HOH J 7 . ? 47.553 39.544 61.363 1.00 24.81 ? 1266 HOH A O 1 HETATM 3051 O O . HOH J 7 . ? 57.284 34.363 62.250 1.00 23.13 ? 1267 HOH A O 1 HETATM 3052 O O . HOH J 7 . ? 50.079 3.346 24.387 1.00 32.10 ? 1268 HOH A O 1 HETATM 3053 O O . HOH J 7 . ? 59.336 37.392 35.972 1.00 18.62 ? 1269 HOH A O 1 HETATM 3054 O O . HOH J 7 . ? 50.913 1.313 27.557 1.00 30.33 ? 1270 HOH A O 1 HETATM 3055 O O . HOH J 7 . ? 36.708 14.406 18.354 1.00 21.28 ? 1271 HOH A O 1 HETATM 3056 O O . HOH J 7 . ? 35.067 29.297 48.782 1.00 25.91 ? 1272 HOH A O 1 HETATM 3057 O O . HOH J 7 . ? 53.379 50.130 48.329 1.00 20.64 ? 1273 HOH A O 1 HETATM 3058 O O . HOH J 7 . ? 65.310 10.401 30.967 1.00 21.67 ? 1274 HOH A O 1 HETATM 3059 O O . HOH J 7 . ? 56.435 14.303 12.641 1.00 21.61 ? 1275 HOH A O 1 HETATM 3060 O O . HOH J 7 . ? 39.892 38.245 39.524 1.00 26.76 ? 1276 HOH A O 1 HETATM 3061 O O . HOH J 7 . ? 50.767 38.165 61.007 1.00 36.29 ? 1277 HOH A O 1 HETATM 3062 O O . HOH J 7 . ? 43.733 1.286 38.503 1.00 26.49 ? 1278 HOH A O 1 HETATM 3063 O O . HOH J 7 . ? 56.808 45.032 32.646 1.00 30.18 ? 1279 HOH A O 1 HETATM 3064 O O . HOH J 7 . ? 48.082 43.473 33.660 1.00 30.62 ? 1280 HOH A O 1 HETATM 3065 O O . HOH J 7 . ? 46.211 -0.599 38.535 1.00 21.16 ? 1281 HOH A O 1 HETATM 3066 O O . HOH J 7 . ? 70.005 19.188 27.583 1.00 33.19 ? 1282 HOH A O 1 HETATM 3067 O O . HOH J 7 . ? 64.850 15.378 23.756 1.00 22.28 ? 1283 HOH A O 1 HETATM 3068 O O . HOH J 7 . ? 34.954 30.368 42.382 1.00 21.88 ? 1284 HOH A O 1 HETATM 3069 O O . HOH J 7 . ? 40.141 24.698 54.336 1.00 28.53 ? 1285 HOH A O 1 HETATM 3070 O O . HOH J 7 . ? 41.294 35.421 42.910 1.00 15.25 ? 1286 HOH A O 1 HETATM 3071 O O . HOH J 7 . ? 46.987 2.965 40.432 1.00 31.29 ? 1287 HOH A O 1 HETATM 3072 O O . HOH J 7 . ? 37.381 22.442 46.193 1.00 17.41 ? 1288 HOH A O 1 HETATM 3073 O O . HOH J 7 . ? 56.048 44.611 49.037 1.00 30.44 ? 1289 HOH A O 1 HETATM 3074 O O . HOH J 7 . ? 35.743 29.055 46.127 1.00 22.43 ? 1290 HOH A O 1 HETATM 3075 O O . HOH J 7 . ? 56.583 31.811 12.162 1.00 25.93 ? 1291 HOH A O 1 HETATM 3076 O O . HOH J 7 . ? 51.525 11.094 54.161 1.00 29.16 ? 1292 HOH A O 1 HETATM 3077 O O . HOH J 7 . ? 58.537 17.103 59.446 1.00 28.56 ? 1293 HOH A O 1 HETATM 3078 O O . HOH J 7 . ? 42.457 36.965 31.999 1.00 21.23 ? 1294 HOH A O 1 HETATM 3079 O O . HOH J 7 . ? 66.352 11.331 50.026 1.00 29.71 ? 1295 HOH A O 1 HETATM 3080 O O . HOH J 7 . ? 63.993 12.433 27.216 1.00 17.68 ? 1296 HOH A O 1 HETATM 3081 O O . HOH J 7 . ? 62.565 27.021 63.392 1.00 23.08 ? 1297 HOH A O 1 HETATM 3082 O O . HOH J 7 . ? 66.999 22.304 35.899 1.00 24.35 ? 1298 HOH A O 1 HETATM 3083 O O . HOH J 7 . ? 41.416 13.517 47.474 1.00 22.73 ? 1299 HOH A O 1 HETATM 3084 O O . HOH J 7 . ? 71.845 13.779 50.605 1.00 24.66 ? 1300 HOH A O 1 HETATM 3085 O O . HOH J 7 . ? 45.566 33.222 26.051 1.00 25.03 ? 1301 HOH A O 1 HETATM 3086 O O . HOH J 7 . ? 75.593 31.077 45.218 1.00 21.20 ? 1302 HOH A O 1 HETATM 3087 O O . HOH J 7 . ? 58.913 36.039 63.504 1.00 35.31 ? 1303 HOH A O 1 HETATM 3088 O O . HOH J 7 . ? 66.321 19.859 31.669 1.00 29.63 ? 1304 HOH A O 1 HETATM 3089 O O . HOH J 7 . ? 63.112 12.376 22.818 1.00 33.88 ? 1305 HOH A O 1 HETATM 3090 O O . HOH J 7 . ? 35.275 27.866 41.422 1.00 17.13 ? 1306 HOH A O 1 HETATM 3091 O O . HOH J 7 . ? 44.686 3.528 39.303 1.00 22.72 ? 1307 HOH A O 1 HETATM 3092 O O . HOH J 7 . ? 69.450 21.657 26.594 1.00 34.13 ? 1308 HOH A O 1 HETATM 3093 O O . HOH J 7 . ? 38.185 36.861 46.915 1.00 34.75 ? 1309 HOH A O 1 HETATM 3094 O O . HOH J 7 . ? 35.178 6.829 24.032 1.00 17.88 ? 1310 HOH A O 1 HETATM 3095 O O . HOH J 7 . ? 60.849 11.115 19.308 1.00 31.20 ? 1311 HOH A O 1 HETATM 3096 O O . HOH J 7 . ? 65.026 26.123 18.392 1.00 31.29 ? 1312 HOH A O 1 HETATM 3097 O O . HOH J 7 . ? 33.413 17.419 31.281 1.00 24.12 ? 1313 HOH A O 1 HETATM 3098 O O . HOH J 7 . ? 74.799 34.911 52.696 1.00 28.22 ? 1314 HOH A O 1 HETATM 3099 O O . HOH J 7 . ? 70.257 19.046 36.945 1.00 30.51 ? 1315 HOH A O 1 HETATM 3100 O O . HOH J 7 . ? 40.916 23.575 56.770 1.00 36.79 ? 1316 HOH A O 1 HETATM 3101 O O . HOH J 7 . ? 64.332 6.438 32.893 1.00 22.55 ? 1318 HOH A O 1 HETATM 3102 O O . HOH J 7 . ? 39.219 15.569 48.434 1.00 40.21 ? 1319 HOH A O 1 HETATM 3103 O O . HOH J 7 . ? 66.097 22.203 31.983 1.00 48.78 ? 1320 HOH A O 1 HETATM 3104 O O . HOH J 7 . ? 40.991 42.043 50.013 1.00 24.36 ? 1321 HOH A O 1 HETATM 3105 O O . HOH J 7 . ? 48.646 14.966 15.577 1.00 27.76 ? 1322 HOH A O 1 HETATM 3106 O O . HOH J 7 . ? 60.139 45.698 50.379 1.00 29.44 ? 1323 HOH A O 1 HETATM 3107 O O . HOH J 7 . ? 50.874 12.987 56.077 1.00 27.17 ? 1324 HOH A O 1 HETATM 3108 O O . HOH J 7 . ? 71.028 16.392 37.977 1.00 34.66 ? 1325 HOH A O 1 HETATM 3109 O O . HOH J 7 . ? 49.205 19.766 10.355 1.00 47.73 ? 1327 HOH A O 1 HETATM 3110 O O . HOH J 7 . ? 36.129 26.446 45.527 1.00 21.15 ? 1328 HOH A O 1 HETATM 3111 O O . HOH J 7 . ? 59.870 12.508 59.539 1.00 29.90 ? 1330 HOH A O 1 HETATM 3112 O O . HOH J 7 . ? 37.789 21.125 10.930 1.00 36.54 ? 1331 HOH A O 1 HETATM 3113 O O . HOH J 7 . ? 59.282 -0.390 31.993 1.00 40.36 ? 1332 HOH A O 1 HETATM 3114 O O . HOH J 7 . ? 65.938 8.310 34.303 1.00 23.37 ? 1333 HOH A O 1 HETATM 3115 O O . HOH J 7 . ? 53.514 44.540 58.698 1.00 27.55 ? 1334 HOH A O 1 HETATM 3116 O O . HOH J 7 . ? 41.805 17.911 52.219 1.00 24.72 ? 1335 HOH A O 1 HETATM 3117 O O . HOH J 7 . ? 56.013 12.819 57.075 1.00 34.50 ? 1337 HOH A O 1 HETATM 3118 O O . HOH J 7 . ? 62.176 31.663 35.663 1.00 44.21 ? 1338 HOH A O 1 HETATM 3119 O O . HOH J 7 . ? 50.859 38.384 35.118 1.00 34.54 ? 1339 HOH A O 1 HETATM 3120 O O . HOH J 7 . ? 58.393 21.311 62.685 1.00 33.70 ? 1340 HOH A O 1 HETATM 3121 O O . HOH J 7 . ? 48.450 9.118 15.025 1.00 35.08 ? 1341 HOH A O 1 HETATM 3122 O O . HOH J 7 . ? 46.953 32.187 19.179 1.00 54.20 ? 1342 HOH A O 1 HETATM 3123 O O . HOH J 7 . ? 65.855 10.254 58.966 1.00 46.05 ? 1343 HOH A O 1 HETATM 3124 O O . HOH J 7 . ? 71.034 31.664 43.947 1.00 16.54 ? 1344 HOH A O 1 HETATM 3125 O O . HOH J 7 . ? 71.656 15.965 42.813 1.00 27.93 ? 1345 HOH A O 1 HETATM 3126 O O . HOH J 7 . ? 68.337 43.293 46.569 1.00 21.46 ? 1346 HOH A O 1 HETATM 3127 O O . HOH J 7 . ? 39.091 25.694 56.283 1.00 36.15 ? 1347 HOH A O 1 HETATM 3128 O O . HOH J 7 . ? 70.292 27.607 32.053 1.00 41.39 ? 1348 HOH A O 1 HETATM 3129 O O . HOH J 7 . ? 46.876 43.970 58.894 1.00 38.95 ? 1349 HOH A O 1 HETATM 3130 O O . HOH J 7 . ? 64.772 20.770 33.651 1.00 27.67 ? 1350 HOH A O 1 HETATM 3131 O O . HOH J 7 . ? 69.987 13.418 36.252 1.00 25.19 ? 1351 HOH A O 1 HETATM 3132 O O . HOH J 7 . ? 42.250 19.650 55.177 1.00 39.55 ? 1352 HOH A O 1 HETATM 3133 O O . HOH J 7 . ? 42.108 40.642 35.210 1.00 36.72 ? 1353 HOH A O 1 HETATM 3134 O O . HOH J 7 . ? 50.200 22.337 12.276 1.00 19.78 ? 1354 HOH A O 1 HETATM 3135 O O . HOH J 7 . ? 44.187 24.699 62.616 1.00 22.69 ? 1355 HOH A O 1 HETATM 3136 O O . HOH J 7 . ? 67.285 21.051 61.432 1.00 26.91 ? 1356 HOH A O 1 HETATM 3137 O O . HOH J 7 . ? 44.482 30.790 26.658 1.00 38.10 ? 1357 HOH A O 1 HETATM 3138 O O . HOH J 7 . ? 61.406 21.451 14.056 1.00 27.49 ? 1358 HOH A O 1 HETATM 3139 O O . HOH J 7 . ? 33.013 15.273 33.115 1.00 32.22 ? 1359 HOH A O 1 HETATM 3140 O O . HOH J 7 . ? 58.819 23.851 63.702 1.00 30.89 ? 1360 HOH A O 1 HETATM 3141 O O . HOH J 7 . ? 77.317 20.603 43.236 1.00 41.14 ? 1362 HOH A O 1 HETATM 3142 O O . HOH J 7 . ? 52.477 28.018 68.312 1.00 31.13 ? 1363 HOH A O 1 HETATM 3143 O O . HOH J 7 . ? 49.015 35.342 20.699 1.00 20.12 ? 1364 HOH A O 1 HETATM 3144 O O . HOH J 7 . ? 33.410 45.013 59.785 1.00 21.63 ? 1365 HOH A O 1 HETATM 3145 O O . HOH J 7 . ? 65.763 10.952 44.408 1.00 17.80 ? 1366 HOH A O 1 HETATM 3146 O O . HOH J 7 . ? 48.242 46.026 50.202 1.00 25.24 ? 1367 HOH A O 1 HETATM 3147 O O . HOH J 7 . ? 44.606 32.400 21.999 1.00 40.93 ? 1368 HOH A O 1 HETATM 3148 O O . HOH J 7 . ? 31.058 38.675 58.288 1.00 19.74 ? 1369 HOH A O 1 HETATM 3149 O O . HOH J 7 . ? 60.609 35.719 34.442 1.00 44.90 ? 1370 HOH A O 1 HETATM 3150 O O . HOH J 7 . ? 32.275 42.584 60.282 1.00 15.19 ? 1371 HOH A O 1 HETATM 3151 O O . HOH J 7 . ? 59.790 29.495 39.590 1.00 10.19 ? 1372 HOH A O 1 HETATM 3152 O O . HOH J 7 . ? 63.231 13.101 59.303 1.00 28.73 ? 1373 HOH A O 1 HETATM 3153 O O . HOH J 7 . ? 63.717 44.402 61.663 1.00 52.62 ? 1374 HOH A O 1 HETATM 3154 O O . HOH J 7 . ? 65.917 24.423 61.983 1.00 28.28 ? 1375 HOH A O 1 HETATM 3155 O O . HOH J 7 . ? 68.497 23.415 62.773 1.00 27.38 ? 1376 HOH A O 1 HETATM 3156 O O . HOH J 7 . ? 67.737 19.441 17.442 1.00 40.43 ? 1378 HOH A O 1 HETATM 3157 O O . HOH J 7 . ? 48.513 16.946 11.575 1.00 37.24 ? 1379 HOH A O 1 HETATM 3158 O O . HOH J 7 . ? 51.660 22.140 9.977 1.00 39.10 ? 1380 HOH A O 1 HETATM 3159 O O . HOH J 7 . ? 45.961 30.184 22.945 1.00 19.10 ? 1381 HOH A O 1 HETATM 3160 O O . HOH J 7 . ? 47.341 30.765 25.785 1.00 17.71 ? 1382 HOH A O 1 HETATM 3161 O O . HOH J 7 . ? 65.316 31.254 25.373 1.00 52.54 ? 1383 HOH A O 1 HETATM 3162 O O . HOH J 7 . ? 73.210 37.283 49.450 1.00 36.46 ? 1384 HOH A O 1 HETATM 3163 O O . HOH J 7 . ? 35.484 19.474 14.853 1.00 34.28 ? 1385 HOH A O 1 HETATM 3164 O O . HOH J 7 . ? 44.662 39.618 30.433 1.00 19.81 ? 1386 HOH A O 1 HETATM 3165 O O . HOH J 7 . ? 55.380 40.094 26.740 1.00 21.06 ? 1387 HOH A O 1 HETATM 3166 O O . HOH J 7 . ? 65.291 12.740 29.492 1.00 36.12 ? 1388 HOH A O 1 HETATM 3167 O O . HOH J 7 . ? 75.948 36.042 50.084 1.00 33.88 ? 1389 HOH A O 1 HETATM 3168 O O . HOH J 7 . ? 47.563 39.602 28.832 1.00 36.70 ? 1390 HOH A O 1 HETATM 3169 O O . HOH J 7 . ? 40.076 38.744 52.728 1.00 24.58 ? 1391 HOH A O 1 HETATM 3170 O O . HOH J 7 . ? 36.793 6.252 32.536 1.00 34.86 ? 1392 HOH A O 1 HETATM 3171 O O . HOH J 7 . ? 63.317 9.813 26.741 1.00 24.15 ? 1393 HOH A O 1 HETATM 3172 O O . HOH J 7 . ? 67.823 43.574 50.935 1.00 25.60 ? 1394 HOH A O 1 HETATM 3173 O O . HOH J 7 . ? 37.136 32.396 34.992 1.00 14.15 ? 1395 HOH A O 1 HETATM 3174 O O . HOH J 7 . ? 44.673 34.769 65.935 1.00 18.95 ? 1396 HOH A O 1 HETATM 3175 O O . HOH J 7 . ? 37.775 26.893 53.674 1.00 32.03 ? 1397 HOH A O 1 HETATM 3176 O O . HOH J 7 . ? 53.928 52.157 49.876 1.00 24.40 ? 1398 HOH A O 1 HETATM 3177 O O . HOH J 7 . ? 57.712 15.195 10.409 1.00 43.66 ? 1399 HOH A O 1 HETATM 3178 O O . HOH J 7 . ? 69.518 18.946 33.001 1.00 31.17 ? 1400 HOH A O 1 HETATM 3179 O O . HOH J 7 . ? 51.169 19.218 9.301 1.00 35.65 ? 1401 HOH A O 1 HETATM 3180 O O . HOH J 7 . ? 57.461 37.857 27.383 1.00 33.42 ? 1402 HOH A O 1 HETATM 3181 O O . HOH J 7 . ? 35.033 22.138 40.679 1.00 24.25 ? 1403 HOH A O 1 HETATM 3182 O O . HOH J 7 . ? 61.814 17.094 59.740 1.00 25.08 ? 1405 HOH A O 1 HETATM 3183 O O . HOH J 7 . ? 66.924 12.006 46.964 1.00 37.16 ? 1406 HOH A O 1 HETATM 3184 O O . HOH J 7 . ? 41.060 18.261 10.236 1.00 52.93 ? 1407 HOH A O 1 HETATM 3185 O O . HOH J 7 . ? 38.211 42.214 66.319 1.00 26.59 ? 1408 HOH A O 1 HETATM 3186 O O . HOH J 7 . ? 55.014 7.847 19.789 1.00 35.16 ? 1409 HOH A O 1 HETATM 3187 O O . HOH J 7 . ? 55.012 17.015 67.129 1.00 42.20 ? 1410 HOH A O 1 HETATM 3188 O O . HOH J 7 . ? 49.187 7.084 16.809 1.00 36.88 ? 1411 HOH A O 1 HETATM 3189 O O . HOH J 7 . ? 50.336 46.427 51.551 1.00 25.30 ? 1412 HOH A O 1 HETATM 3190 O O . HOH J 7 . ? 59.862 39.343 33.726 1.00 22.28 ? 1413 HOH A O 1 HETATM 3191 O O . HOH J 7 . ? 62.435 46.099 51.134 1.00 31.39 ? 1414 HOH A O 1 HETATM 3192 O O . HOH J 7 . ? 48.245 49.792 47.144 1.00 26.71 ? 1415 HOH A O 1 HETATM 3193 O O . HOH J 7 . ? 44.711 43.639 23.908 1.00 39.86 ? 1416 HOH A O 1 HETATM 3194 O O . HOH J 7 . ? 60.477 -1.902 33.978 1.00 36.63 ? 1417 HOH A O 1 HETATM 3195 O O . HOH J 7 . ? 56.140 10.143 18.602 1.00 35.00 ? 1418 HOH A O 1 HETATM 3196 O O . HOH J 7 . ? 44.688 16.336 52.308 1.00 30.54 ? 1419 HOH A O 1 HETATM 3197 O O . HOH J 7 . ? 77.331 25.975 42.084 1.00 35.53 ? 1420 HOH A O 1 HETATM 3198 O O . HOH J 7 . ? 36.766 34.855 35.941 1.00 19.06 ? 1421 HOH A O 1 HETATM 3199 O O . HOH J 7 . ? 75.661 35.097 45.324 1.00 37.73 ? 1422 HOH A O 1 HETATM 3200 O O . HOH J 7 . ? 56.680 4.955 53.050 1.00 33.93 ? 1423 HOH A O 1 HETATM 3201 O O . HOH J 7 . ? 44.057 14.024 52.079 1.00 29.90 ? 1424 HOH A O 1 HETATM 3202 O O . HOH J 7 . ? 40.097 22.245 54.120 1.00 47.71 ? 1425 HOH A O 1 HETATM 3203 O O . HOH J 7 . ? 38.005 22.172 43.568 1.00 12.73 ? 1426 HOH A O 1 HETATM 3204 O O . HOH J 7 . ? 49.584 36.385 23.258 1.00 15.77 ? 1427 HOH A O 1 HETATM 3205 O O . HOH J 7 . ? 53.045 38.122 23.211 1.00 17.08 ? 1428 HOH A O 1 HETATM 3206 O O . HOH J 7 . ? 43.399 23.628 22.577 1.00 18.38 ? 1429 HOH A O 1 HETATM 3207 O O . HOH J 7 . ? 35.794 25.667 43.006 1.00 20.86 ? 1430 HOH A O 1 HETATM 3208 O O . HOH J 7 . ? 53.991 36.849 18.717 1.00 21.63 ? 1431 HOH A O 1 HETATM 3209 O O . HOH J 7 . ? 52.289 36.781 20.888 1.00 19.16 ? 1432 HOH A O 1 HETATM 3210 O O . HOH J 7 . ? 53.601 34.902 14.939 1.00 20.84 ? 1434 HOH A O 1 HETATM 3211 O O . HOH J 7 . ? 37.815 24.299 41.742 1.00 17.10 ? 1435 HOH A O 1 HETATM 3212 O O . HOH J 7 . ? 52.031 35.048 17.223 1.00 21.33 ? 1436 HOH A O 1 HETATM 3213 O O . HOH J 7 . ? 64.285 43.071 36.646 1.00 30.49 ? 1437 HOH A O 1 HETATM 3214 O O . HOH J 7 . ? 31.164 5.051 28.749 1.00 22.16 ? 1438 HOH A O 1 HETATM 3215 O O . HOH J 7 . ? 39.176 41.421 52.347 1.00 27.46 ? 1439 HOH A O 1 HETATM 3216 O O . HOH J 7 . ? 40.095 10.402 45.469 1.00 28.88 ? 1440 HOH A O 1 HETATM 3217 O O . HOH J 7 . ? 33.322 26.615 39.920 1.00 26.39 ? 1441 HOH A O 1 HETATM 3218 O O . HOH J 7 . ? 51.788 41.910 31.967 1.00 25.55 ? 1442 HOH A O 1 HETATM 3219 O O . HOH J 7 . ? 55.215 39.067 24.047 1.00 22.41 ? 1443 HOH A O 1 HETATM 3220 O O . HOH J 7 . ? 40.365 37.779 43.977 1.00 20.87 ? 1444 HOH A O 1 HETATM 3221 O O . HOH J 7 . ? 60.712 4.912 30.564 1.00 28.04 ? 1445 HOH A O 1 HETATM 3222 O O . HOH J 7 . ? 39.584 14.905 15.497 1.00 23.39 ? 1446 HOH A O 1 HETATM 3223 O O . HOH J 7 . ? 36.889 20.927 50.017 1.00 33.95 ? 1447 HOH A O 1 HETATM 3224 O O . HOH J 7 . ? 62.296 39.727 33.539 1.00 32.39 ? 1448 HOH A O 1 HETATM 3225 O O . HOH J 7 . ? 38.449 36.052 66.030 1.00 27.42 ? 1449 HOH A O 1 HETATM 3226 O O . HOH J 7 . ? 50.880 49.604 48.024 1.00 31.52 ? 1450 HOH A O 1 HETATM 3227 O O . HOH J 7 . ? 64.572 45.418 53.800 1.00 33.03 ? 1451 HOH A O 1 HETATM 3228 O O . HOH J 7 . ? 43.424 42.444 45.717 1.00 29.35 ? 1452 HOH A O 1 HETATM 3229 O O . HOH J 7 . ? 37.434 29.449 54.283 1.00 35.02 ? 1453 HOH A O 1 HETATM 3230 O O . HOH J 7 . ? 35.172 7.692 30.963 1.00 37.17 ? 1454 HOH A O 1 HETATM 3231 O O . HOH J 7 . ? 36.218 10.132 38.512 1.00 33.56 ? 1455 HOH A O 1 HETATM 3232 O O . HOH J 7 . ? 68.272 30.350 37.224 1.00 28.75 ? 1456 HOH A O 1 HETATM 3233 O O . HOH J 7 . ? 36.615 23.369 50.677 1.00 24.67 ? 1457 HOH A O 1 HETATM 3234 O O . HOH J 7 . ? 41.593 7.021 41.863 1.00 26.95 ? 1458 HOH A O 1 HETATM 3235 O O . HOH J 7 . ? 31.362 27.885 38.865 1.00 35.23 ? 1459 HOH A O 1 HETATM 3236 O O . HOH J 7 . ? 35.722 38.635 53.208 1.00 34.86 ? 1460 HOH A O 1 HETATM 3237 O O . HOH J 7 . ? 33.700 25.416 47.132 1.00 40.52 ? 1461 HOH A O 1 HETATM 3238 O O . HOH J 7 . ? 42.979 23.410 60.510 1.00 30.34 ? 1462 HOH A O 1 HETATM 3239 O O . HOH J 7 . ? 65.015 8.028 50.614 1.00 40.59 ? 1463 HOH A O 1 HETATM 3240 O O . HOH J 7 . ? 50.032 38.057 19.587 1.00 26.33 ? 1464 HOH A O 1 HETATM 3241 O O . HOH J 7 . ? 31.664 17.230 38.029 1.00 32.67 ? 1465 HOH A O 1 HETATM 3242 O O . HOH J 7 . ? 39.621 12.588 14.368 1.00 29.34 ? 1466 HOH A O 1 HETATM 3243 O O . HOH J 7 . ? 56.950 47.128 56.843 1.00 34.45 ? 1467 HOH A O 1 HETATM 3244 O O . HOH J 7 . ? 55.280 38.908 19.453 1.00 70.26 ? 1468 HOH A O 1 HETATM 3245 O O . HOH J 7 . ? 62.310 1.699 33.823 1.00 35.07 ? 1469 HOH A O 1 HETATM 3246 O O . HOH J 7 . ? 63.114 14.879 60.757 1.00 77.34 ? 1470 HOH A O 1 HETATM 3247 O O . HOH J 7 . ? 62.404 4.844 50.238 1.00 51.90 ? 1471 HOH A O 1 HETATM 3248 O O . HOH J 7 . ? 68.601 22.448 30.585 1.00 61.69 ? 1472 HOH A O 1 HETATM 3249 O O . HOH J 7 . ? 70.847 42.000 42.302 1.00 32.70 ? 1473 HOH A O 1 HETATM 3250 O O . HOH J 7 . ? 68.940 43.797 43.886 1.00 29.04 ? 1474 HOH A O 1 HETATM 3251 O O . HOH J 7 . ? 59.988 46.216 56.809 1.00 42.07 ? 1475 HOH A O 1 HETATM 3252 O O . HOH J 7 . ? 41.910 41.787 64.604 1.00 30.70 ? 1476 HOH A O 1 HETATM 3253 O O . HOH J 7 . ? 35.134 39.194 64.592 1.00 28.62 ? 1477 HOH A O 1 HETATM 3254 O O . HOH J 7 . ? 71.210 38.027 41.730 1.00 32.81 ? 1478 HOH A O 1 HETATM 3255 O O . HOH J 7 . ? 35.018 26.884 49.429 1.00 33.35 ? 1479 HOH A O 1 HETATM 3256 O O . HOH J 7 . ? 62.539 6.507 55.817 1.00 30.89 ? 1480 HOH A O 1 HETATM 3257 O O . HOH J 7 . ? 68.433 8.336 53.352 1.00 32.05 ? 1481 HOH A O 1 HETATM 3258 O O . HOH J 7 . ? 58.715 37.827 24.462 1.00 48.59 ? 1482 HOH A O 1 HETATM 3259 O O . HOH J 7 . ? 60.172 42.862 63.273 1.00 43.67 ? 1483 HOH A O 1 HETATM 3260 O O . HOH J 7 . ? 61.281 24.777 63.941 1.00 52.49 ? 1484 HOH A O 1 HETATM 3261 O O . HOH J 7 . ? 48.117 39.909 19.102 1.00 35.64 ? 1485 HOH A O 1 HETATM 3262 O O . HOH J 7 . ? 69.435 15.671 62.694 1.00 37.33 ? 1486 HOH A O 1 HETATM 3263 O O . HOH J 7 . ? 65.039 37.908 61.126 1.00 38.85 ? 1487 HOH A O 1 HETATM 3264 O O . HOH J 7 . ? 66.841 6.049 38.812 1.00 35.68 ? 1488 HOH A O 1 HETATM 3265 O O . HOH J 7 . ? 35.839 33.163 52.839 1.00 42.43 ? 1489 HOH A O 1 HETATM 3266 O O . HOH J 7 . ? 64.815 4.111 38.176 1.00 34.68 ? 1490 HOH A O 1 HETATM 3267 O O . HOH J 7 . ? 68.136 13.530 42.413 1.00 32.23 ? 1491 HOH A O 1 HETATM 3268 O O . HOH J 7 . ? 37.959 15.890 13.319 1.00 37.09 ? 1492 HOH A O 1 HETATM 3269 O O . HOH J 7 . ? 78.876 28.325 42.980 1.00 33.76 ? 1493 HOH A O 1 HETATM 3270 O O . HOH J 7 . ? 44.300 5.692 42.989 1.00 31.14 ? 1494 HOH A O 1 HETATM 3271 O O . HOH J 7 . ? 65.497 6.790 44.006 1.00 31.73 ? 1495 HOH A O 1 HETATM 3272 O O . HOH J 7 . ? 33.615 29.894 44.585 1.00 30.06 ? 1496 HOH A O 1 HETATM 3273 O O . HOH J 7 . ? 62.958 47.046 53.643 1.00 33.76 ? 1497 HOH A O 1 HETATM 3274 O O . HOH J 7 . ? 54.392 37.005 14.202 1.00 47.27 ? 1498 HOH A O 1 HETATM 3275 O O . HOH J 7 . ? 43.976 10.514 51.111 1.00 41.11 ? 1499 HOH A O 1 HETATM 3276 O O . HOH J 7 . ? 64.286 4.989 59.043 1.00 37.65 ? 1500 HOH A O 1 HETATM 3277 O O . HOH J 7 . ? 70.758 9.379 54.629 1.00 33.15 ? 1501 HOH A O 1 HETATM 3278 O O . HOH J 7 . ? 48.170 41.810 28.054 1.00 29.77 ? 1502 HOH A O 1 HETATM 3279 O O . HOH J 7 . ? 64.931 4.895 42.200 1.00 43.29 ? 1503 HOH A O 1 HETATM 3280 O O . HOH J 7 . ? 72.493 13.336 44.068 1.00 55.05 ? 1504 HOH A O 1 HETATM 3281 O O . HOH J 7 . ? 69.235 30.779 34.853 1.00 50.83 ? 1505 HOH A O 1 HETATM 3282 O O . HOH J 7 . ? 30.602 15.272 37.511 1.00 41.65 ? 1506 HOH A O 1 HETATM 3283 O O . HOH J 7 . ? 61.513 34.311 64.317 1.00 32.79 ? 1507 HOH A O 1 HETATM 3284 O O . HOH J 7 . ? 45.103 43.683 41.301 1.00 44.52 ? 1508 HOH A O 1 HETATM 3285 O O . HOH J 7 . ? 68.126 28.311 17.684 1.00 51.62 ? 1509 HOH A O 1 HETATM 3286 O O . HOH J 7 . ? 70.983 28.653 37.706 1.00 35.56 ? 1510 HOH A O 1 HETATM 3287 O O . HOH J 7 . ? 33.323 37.187 57.556 1.00 38.04 ? 1512 HOH A O 1 HETATM 3288 O O . HOH J 7 . ? 63.674 20.068 16.638 1.00 39.57 ? 1513 HOH A O 1 HETATM 3289 O O . HOH J 7 . ? 71.375 12.368 56.440 1.00 43.89 ? 1514 HOH A O 1 HETATM 3290 O O . HOH J 7 . ? 72.740 18.400 39.967 1.00 30.45 ? 1515 HOH A O 1 HETATM 3291 O O . HOH J 7 . ? 55.634 30.869 46.406 1.00 26.99 ? 1520 HOH A O 1 HETATM 3292 O O . HOH J 7 . ? 37.451 18.738 12.652 1.00 41.47 ? 1521 HOH A O 1 HETATM 3293 O O . HOH J 7 . ? 70.886 20.200 34.783 1.00 33.73 ? 1522 HOH A O 1 HETATM 3294 O O . HOH J 7 . ? 70.637 33.530 39.843 1.00 36.60 ? 1524 HOH A O 1 HETATM 3295 O O . HOH J 7 . ? 32.712 22.235 39.255 1.00 33.46 ? 1525 HOH A O 1 HETATM 3296 O O . HOH J 7 . ? 46.590 35.828 20.637 1.00 51.72 ? 1529 HOH A O 1 HETATM 3297 O O . HOH J 7 . ? 46.030 6.129 46.882 1.00 30.51 ? 1530 HOH A O 1 HETATM 3298 O O . HOH J 7 . ? 39.732 21.672 29.053 1.00 9.78 ? 1531 HOH A O 1 HETATM 3299 O O . HOH J 7 . ? 37.647 23.294 30.031 1.00 15.65 ? 1532 HOH A O 1 HETATM 3300 O O . HOH J 7 . ? 40.086 25.465 28.620 1.00 24.19 ? 1533 HOH A O 1 HETATM 3301 O O . HOH J 7 . ? 45.850 25.487 8.076 1.00 30.74 ? 1535 HOH A O 1 HETATM 3302 O O . HOH J 7 . ? 63.143 19.828 62.544 1.00 36.22 ? 1536 HOH A O 1 HETATM 3303 O O . HOH J 7 . ? 37.636 14.759 46.982 1.00 47.45 ? 1538 HOH A O 1 HETATM 3304 O O . HOH J 7 . ? 48.170 43.321 20.778 1.00 37.35 ? 1540 HOH A O 1 HETATM 3305 O O . HOH J 7 . ? 64.957 37.789 35.119 1.00 37.92 ? 1541 HOH A O 1 HETATM 3306 O O . HOH J 7 . ? 54.984 11.059 15.164 1.00 37.33 ? 1543 HOH A O 1 HETATM 3307 O O . HOH J 7 . ? 74.899 20.407 39.896 1.00 41.95 ? 1545 HOH A O 1 HETATM 3308 O O . HOH J 7 . ? 54.689 16.036 59.217 1.00 52.49 ? 1547 HOH A O 1 HETATM 3309 O O . HOH J 7 . ? 62.318 0.655 38.832 1.00 15.42 ? 1551 HOH A O 1 HETATM 3310 O O . HOH J 7 . ? 37.845 22.846 26.179 1.00 24.18 ? 1552 HOH A O 1 HETATM 3311 O O . HOH J 7 . ? 35.398 23.431 32.832 1.00 32.01 ? 1553 HOH A O 1 HETATM 3312 O O . HOH J 7 . ? 61.050 2.821 45.140 1.00 23.36 ? 1554 HOH A O 1 HETATM 3313 O O . HOH J 7 . ? 62.322 1.900 36.435 1.00 37.66 ? 1555 HOH A O 1 HETATM 3314 O O . HOH J 7 . ? 63.565 3.235 44.837 1.00 28.78 ? 1556 HOH A O 1 HETATM 3315 O O . HOH J 7 . ? 58.307 7.193 53.831 1.00 36.16 ? 1557 HOH A O 1 HETATM 3316 O O . HOH J 7 . ? 64.864 44.712 43.686 1.00 34.96 ? 1558 HOH A O 1 HETATM 3317 O O . HOH J 7 . ? 34.427 16.206 17.161 1.00 36.06 ? 1559 HOH A O 1 HETATM 3318 O O . HOH J 7 . ? 34.462 46.887 61.251 1.00 46.92 ? 1560 HOH A O 1 HETATM 3319 O O . HOH J 7 . ? 76.691 36.615 52.600 1.00 38.02 ? 1561 HOH A O 1 HETATM 3320 O O . HOH J 7 . ? 41.670 38.195 34.700 1.00 33.29 ? 1562 HOH A O 1 HETATM 3321 O O . HOH J 7 . ? 34.831 12.116 31.128 1.00 30.04 ? 1563 HOH A O 1 HETATM 3322 O O . HOH J 7 . ? 47.367 5.902 18.233 1.00 43.75 ? 1564 HOH A O 1 HETATM 3323 O O . HOH J 7 . ? 69.091 36.814 56.999 1.00 39.19 ? 1565 HOH A O 1 HETATM 3324 O O . HOH J 7 . ? 52.054 51.073 51.974 1.00 51.22 ? 1566 HOH A O 1 HETATM 3325 O O . HOH J 7 . ? 58.780 33.318 14.560 1.00 35.50 ? 1567 HOH A O 1 HETATM 3326 O O . HOH J 7 . ? 65.007 47.115 42.741 1.00 40.03 ? 1568 HOH A O 1 HETATM 3327 O O . HOH J 7 . ? 42.616 42.804 37.374 1.00 38.03 ? 1569 HOH A O 1 HETATM 3328 O O . HOH J 7 . ? 37.350 35.557 41.957 1.00 44.64 ? 1570 HOH A O 1 HETATM 3329 O O . HOH J 7 . ? 55.635 30.140 64.439 1.00 34.81 ? 1571 HOH A O 1 HETATM 3330 O O . HOH J 7 . ? 68.904 42.765 54.811 1.00 43.03 ? 1572 HOH A O 1 HETATM 3331 O O . HOH J 7 . ? 66.252 40.340 38.061 1.00 41.93 ? 1573 HOH A O 1 HETATM 3332 O O . HOH J 7 . ? 69.529 19.920 30.290 1.00 47.14 ? 1574 HOH A O 1 HETATM 3333 O O . HOH J 7 . ? 34.990 34.649 54.961 1.00 34.71 ? 1575 HOH A O 1 HETATM 3334 O O . HOH J 7 . ? 33.305 45.967 55.402 1.00 52.88 ? 1576 HOH A O 1 HETATM 3335 O O . HOH J 7 . ? 70.446 41.449 46.489 1.00 42.93 ? 1577 HOH A O 1 HETATM 3336 O O . HOH J 7 . ? 30.834 13.101 27.204 1.00 44.76 ? 1578 HOH A O 1 HETATM 3337 O O . HOH J 7 . ? 33.608 23.655 36.132 1.00 34.92 ? 1579 HOH A O 1 HETATM 3338 O O . HOH J 7 . ? 65.263 44.913 46.010 1.00 49.89 ? 1580 HOH A O 1 HETATM 3339 O O . HOH J 7 . ? 32.245 19.621 31.330 1.00 29.29 ? 1581 HOH A O 1 HETATM 3340 O O . HOH J 7 . ? 57.291 8.251 21.514 1.00 35.22 ? 1582 HOH A O 1 HETATM 3341 O O . HOH J 7 . ? 40.314 -1.618 38.377 1.00 39.83 ? 1583 HOH A O 1 HETATM 3342 O O . HOH J 7 . ? 53.075 33.962 63.504 1.00 54.76 ? 1584 HOH A O 1 HETATM 3343 O O . HOH J 7 . ? 58.634 30.648 33.671 1.00 11.89 ? 1585 HOH A O 1 HETATM 3344 O O A HOH J 7 . ? 61.289 28.210 37.644 0.52 16.37 ? 1586 HOH A O 1 HETATM 3345 O O A HOH J 7 . ? 62.008 19.783 38.109 0.52 14.23 ? 1587 HOH A O 1 HETATM 3346 O O B HOH J 7 . ? 59.675 28.985 36.933 0.52 12.51 ? 1588 HOH A O 1 HETATM 3347 O O B HOH J 7 . ? 61.713 21.880 37.937 0.52 18.22 ? 1589 HOH A O 1 HETATM 3348 O O B HOH J 7 . ? 59.355 35.597 38.949 0.52 12.02 ? 1590 HOH A O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . ALA A 1 ? 0.1479 0.2259 0.2324 0.0207 0.0315 -0.0218 1 ALA A N 2 C CA . ALA A 1 ? 0.1166 0.2289 0.2297 0.0344 0.0097 0.0115 1 ALA A CA 3 C C . ALA A 1 ? 0.1469 0.2023 0.1836 0.0590 0.0080 -0.0357 1 ALA A C 4 O O . ALA A 1 ? 0.2129 0.2004 0.2076 0.0546 -0.0244 -0.0543 1 ALA A O 5 C CB . ALA A 1 ? 0.1170 0.3187 0.2580 0.0418 -0.0004 0.0597 1 ALA A CB 6 N N . VAL A 2 ? 0.1487 0.2040 0.1745 0.0569 0.0229 -0.0430 2 VAL A N 7 C CA . VAL A 2 ? 0.1525 0.2017 0.1966 0.0483 0.0288 -0.0266 2 VAL A CA 8 C C . VAL A 2 ? 0.1748 0.2437 0.2216 0.0012 0.0485 -0.0659 2 VAL A C 9 O O . VAL A 2 ? 0.2320 0.3686 0.2380 -0.0559 0.0528 -0.1016 2 VAL A O 10 C CB . VAL A 2 ? 0.1690 0.1876 0.2174 0.0499 0.0391 -0.0294 2 VAL A CB 11 C CG1 . VAL A 2 ? 0.2533 0.2899 0.2765 0.1431 0.0691 0.0452 2 VAL A CG1 12 C CG2 . VAL A 2 ? 0.1526 0.3368 0.3008 0.0186 0.0617 -0.0628 2 VAL A CG2 13 N N . CYS A 3 ? 0.1579 0.2074 0.2279 0.0253 0.0418 -0.0597 3 CYS A N 14 C CA . CYS A 3 ? 0.1841 0.2046 0.2504 0.0332 0.0689 -0.0318 3 CYS A CA 15 C C . CYS A 3 ? 0.2655 0.1924 0.2960 0.0169 0.0881 -0.0499 3 CYS A C 16 O O . CYS A 3 ? 0.2829 0.1556 0.4436 0.0265 0.1670 0.0102 3 CYS A O 17 C CB . CYS A 3 ? 0.2133 0.1963 0.2523 0.0698 0.0705 -0.0200 3 CYS A CB 18 S SG . CYS A 3 ? 0.1594 0.1882 0.2086 0.0348 0.0499 -0.0081 3 CYS A SG 19 N N . PRO A 4 ? 0.2812 0.2278 0.4027 -0.0119 0.1459 -0.0815 4 PRO A N 20 C CA . PRO A 4 ? 0.3360 0.2286 0.5091 -0.0371 0.0957 -0.0330 4 PRO A CA 21 C C . PRO A 4 ? 0.4501 0.2391 0.5346 0.0655 0.0329 -0.1090 4 PRO A C 22 O O . PRO A 4 ? 0.5237 0.3177 0.6543 0.1655 0.0844 -0.0727 4 PRO A O 23 C CB . PRO A 4 ? 0.3390 0.2686 0.7422 -0.0630 0.1022 -0.0752 4 PRO A CB 24 C CG . PRO A 4 ? 0.3033 0.3293 0.4855 -0.0456 0.1125 -0.1282 4 PRO A CG 25 C CD . PRO A 4 ? 0.2801 0.2857 0.2899 -0.0128 0.0807 -0.0714 4 PRO A CD 26 N N . ASP A 5 ? 0.4235 0.2852 0.4893 -0.1023 0.1404 -0.0979 5 ASP A N 27 C CA . ASP A 5 ? 0.4477 0.4188 0.4228 -0.0598 0.1925 -0.0850 5 ASP A CA 28 C C . ASP A 5 ? 0.4256 0.2434 0.4609 0.0030 0.1565 -0.0076 5 ASP A C 29 O O . ASP A 5 ? 0.4567 0.3654 0.4827 0.1181 0.1642 0.0258 5 ASP A O 30 C CB . ASP A 5 ? 0.5334 0.3921 0.4428 0.1612 0.1774 -0.0240 5 ASP A CB 31 C CG . ASP A 5 ? 0.5594 0.4121 0.3586 0.1371 0.2153 -0.0656 5 ASP A CG 32 O OD1 . ASP A 5 ? 0.5109 0.4431 0.4519 0.1779 0.2429 0.0184 5 ASP A OD1 33 O OD2 . ASP A 5 ? 0.5008 0.6659 0.3980 0.0862 0.1292 -0.1752 5 ASP A OD2 34 N N . GLY A 6 ? 0.3693 0.2061 0.4403 0.0683 0.1800 -0.0456 6 GLY A N 35 C CA . GLY A 6 ? 0.3275 0.1857 0.2678 0.1117 0.0639 0.0205 6 GLY A CA 36 C C . GLY A 6 ? 0.3064 0.2118 0.2821 0.0978 0.0901 -0.0039 6 GLY A C 37 O O . GLY A 6 ? 0.2818 0.2543 0.2828 0.0971 0.0660 -0.0347 6 GLY A O 38 N N . THR A 7 ? 0.2577 0.1942 0.2784 0.0904 0.0290 -0.0258 7 THR A N 39 C CA . THR A 7 ? 0.1992 0.2025 0.2569 0.0738 0.0241 -0.0130 7 THR A CA 40 C C . THR A 7 ? 0.1683 0.2076 0.2395 0.0769 -0.0135 -0.0162 7 THR A C 41 O O . THR A 7 ? 0.1910 0.2672 0.2968 0.0950 -0.0521 -0.0394 7 THR A O 42 C CB . THR A 7 ? 0.3199 0.1720 0.3291 0.1041 0.1110 0.0084 7 THR A CB 43 O OG1 . THR A 7 ? 0.3715 0.3013 0.2668 0.1425 0.0888 0.0140 7 THR A OG1 44 C CG2 . THR A 7 ? 0.1740 0.2625 0.3427 0.0937 0.0310 -0.0746 7 THR A CG2 45 N N . ARG A 8 ? 0.1707 0.2300 0.1793 0.0811 0.0036 -0.0274 8 ARG A N 46 C CA . ARG A 8 ? 0.1600 0.2379 0.1822 0.0820 0.0271 -0.0295 8 ARG A CA 47 C C . ARG A 8 ? 0.1729 0.2284 0.1432 0.0732 0.0112 -0.0258 8 ARG A C 48 O O . ARG A 8 ? 0.2149 0.3268 0.1810 0.1117 -0.0255 -0.0918 8 ARG A O 49 C CB . ARG A 8 ? 0.1689 0.2738 0.2373 0.0684 0.0397 -0.0514 8 ARG A CB 50 C CG . ARG A 8 ? 0.1470 0.2913 0.2719 0.0005 0.0257 -0.0287 8 ARG A CG 51 C CD . ARG A 8 ? 0.2013 0.3149 0.2545 0.0297 0.0607 -0.0899 8 ARG A CD 52 N NE . ARG A 8 ? 0.2746 0.3306 0.5380 0.0001 0.2220 -0.0321 8 ARG A NE 53 C CZ . ARG A 8 ? 0.1801 0.3831 0.3472 0.0212 0.1317 0.0267 8 ARG A CZ 54 N NH1 . ARG A 8 ? 0.2148 0.7670 0.3827 0.2008 0.0743 -0.0384 8 ARG A NH1 55 N NH2 . ARG A 8 ? 0.2823 0.2971 0.4212 0.0594 0.1765 0.0155 8 ARG A NH2 56 N N . VAL A 9 ? 0.1300 0.2054 0.1830 0.0541 -0.0060 -0.0514 9 VAL A N 57 C CA . VAL A 9 ? 0.1289 0.1951 0.1785 0.0475 0.0165 -0.0238 9 VAL A CA 58 C C . VAL A 9 ? 0.1379 0.1648 0.1986 0.0036 0.0307 -0.0379 9 VAL A C 59 O O . VAL A 9 ? 0.1606 0.2008 0.1864 0.0109 0.0429 -0.0209 9 VAL A O 60 C CB . VAL A 9 ? 0.1420 0.1662 0.2251 0.0540 0.0357 0.0105 9 VAL A CB 61 C CG1 . VAL A 9 ? 0.1836 0.2788 0.2382 0.0518 0.0532 0.0524 9 VAL A CG1 62 C CG2 . VAL A 9 ? 0.1367 0.1425 0.2650 0.0279 0.0038 0.0448 9 VAL A CG2 63 N N . SER A 10 ? 0.1876 0.1545 0.2200 -0.0072 0.0474 -0.0239 10 SER A N 64 C CA . SER A 10 ? 0.2061 0.1818 0.2342 0.0165 0.0261 -0.0070 10 SER A CA 65 C C . SER A 10 ? 0.2363 0.2409 0.1777 -0.0316 0.0776 -0.0071 10 SER A C 66 O O . SER A 10 ? 0.2585 0.4244 0.2017 -0.0537 0.1009 0.0326 10 SER A O 67 C CB . SER A 10 ? 0.3077 0.2083 0.2414 0.0940 -0.0460 -0.0297 10 SER A CB 68 O OG . SER A 10 ? 0.2401 0.4473 0.2952 0.1858 -0.0878 -0.1713 10 SER A OG 69 N N . HIS A 11 ? 0.1941 0.1742 0.1312 0.0281 0.0503 0.0145 11 HIS A N 70 C CA . HIS A 11 ? 0.2029 0.2062 0.1276 0.0456 0.0494 0.0319 11 HIS A CA 71 C C . HIS A 11 ? 0.1746 0.2036 0.1044 0.0478 0.0186 0.0131 11 HIS A C 72 O O . HIS A 11 ? 0.1413 0.1921 0.1099 0.0307 0.0204 0.0107 11 HIS A O 73 C CB . HIS A 11 ? 0.2042 0.2026 0.1425 0.0406 0.0337 0.0089 11 HIS A CB 74 C CG . HIS A 11 ? 0.3066 0.1997 0.1395 0.0390 0.0462 0.0316 11 HIS A CG 75 N ND1 . HIS A 11 ? 0.6883 0.3254 0.2381 -0.0579 0.1705 0.0864 11 HIS A ND1 76 C CD2 . HIS A 11 ? 0.2863 0.1811 0.2487 0.0608 0.0090 -0.0113 11 HIS A CD2 77 C CE1 . HIS A 11 ? 0.7684 0.2674 0.4074 -0.0515 0.0801 0.2041 11 HIS A CE1 78 N NE2 . HIS A 11 ? 0.5845 0.1850 0.4874 -0.0130 0.0548 0.0492 11 HIS A NE2 79 N N . ALA A 12 ? 0.1636 0.2433 0.1146 0.0478 0.0216 -0.0057 12 ALA A N 80 C CA . ALA A 12 ? 0.1613 0.2427 0.1337 0.0429 0.0254 -0.0216 12 ALA A CA 81 C C . ALA A 12 ? 0.1558 0.2560 0.0998 0.0368 0.0128 -0.0195 12 ALA A C 82 O O . ALA A 12 ? 0.1474 0.2495 0.1145 0.0210 0.0108 -0.0321 12 ALA A O 83 C CB . ALA A 12 ? 0.2900 0.3989 0.1756 -0.0173 0.0749 -0.1409 12 ALA A CB 84 N N . ALA A 13 ? 0.1613 0.2636 0.1220 0.0504 -0.0039 -0.0314 13 ALA A N 85 C CA . ALA A 13 ? 0.1522 0.2835 0.1265 0.0440 -0.0169 -0.0340 13 ALA A CA 86 C C . ALA A 13 ? 0.1315 0.1624 0.1271 0.0289 0.0025 -0.0227 13 ALA A C 87 O O . ALA A 13 ? 0.1431 0.2301 0.1692 0.0316 0.0300 -0.0287 13 ALA A O 88 C CB . ALA A 13 ? 0.2464 0.4625 0.1681 0.1864 0.0106 0.0510 13 ALA A CB 89 N N . CYS A 14 ? 0.1457 0.1487 0.0888 0.0134 0.0045 -0.0065 14 CYS A N 90 C CA . CYS A 14 ? 0.1419 0.1360 0.0932 0.0155 0.0177 -0.0082 14 CYS A CA 91 C C . CYS A 14 ? 0.1161 0.1281 0.0990 0.0165 0.0135 -0.0095 14 CYS A C 92 O O . CYS A 14 ? 0.1389 0.1291 0.1013 0.0096 0.0107 -0.0123 14 CYS A O 93 C CB . CYS A 14 ? 0.1708 0.1389 0.0882 -0.0066 0.0050 -0.0057 14 CYS A CB 94 S SG . CYS A 14 ? 0.2399 0.1475 0.1027 -0.0247 0.0185 -0.0114 14 CYS A SG 95 N N . CYS A 15 ? 0.1353 0.1367 0.1079 0.0101 0.0391 -0.0186 15 CYS A N 96 C CA . CYS A 15 ? 0.1523 0.1303 0.1206 0.0059 0.0312 -0.0251 15 CYS A CA 97 C C . CYS A 15 ? 0.1446 0.1437 0.1049 0.0256 0.0244 -0.0091 15 CYS A C 98 O O . CYS A 15 ? 0.1328 0.1178 0.1328 0.0319 0.0327 -0.0044 15 CYS A O 99 C CB . CYS A 15 ? 0.1580 0.1351 0.1504 0.0161 0.0548 -0.0363 15 CYS A CB 100 S SG . CYS A 15 ? 0.1714 0.1934 0.1731 0.0174 0.0619 -0.0386 15 CYS A SG 101 N N . ALA A 16 ? 0.1472 0.1292 0.0999 0.0136 0.0145 -0.0172 16 ALA A N 102 C CA . ALA A 16 ? 0.1444 0.1381 0.1040 0.0028 0.0164 -0.0312 16 ALA A CA 103 C C . ALA A 16 ? 0.1145 0.1050 0.1027 0.0136 0.0092 -0.0272 16 ALA A C 104 O O . ALA A 16 ? 0.1237 0.1076 0.1221 0.0062 0.0275 -0.0204 16 ALA A O 105 C CB . ALA A 16 ? 0.1464 0.2101 0.1212 -0.0062 -0.0032 -0.0467 16 ALA A CB 106 N N . PHE A 17 ? 0.1155 0.0944 0.1014 0.0160 0.0120 -0.0099 17 PHE A N 107 C CA . PHE A 17 ? 0.1150 0.0968 0.0989 0.0102 0.0126 -0.0171 17 PHE A CA 108 C C . PHE A 17 ? 0.1159 0.0939 0.0985 0.0078 0.0087 -0.0230 17 PHE A C 109 O O . PHE A 17 ? 0.1306 0.1045 0.1092 0.0176 0.0193 -0.0012 17 PHE A O 110 C CB . PHE A 17 ? 0.1144 0.1058 0.0901 0.0084 0.0187 -0.0114 17 PHE A CB 111 C CG . PHE A 17 ? 0.1264 0.0960 0.0794 0.0044 0.0127 -0.0124 17 PHE A CG 112 C CD1 . PHE A 17 ? 0.1288 0.0976 0.1025 0.0100 0.0232 0.0100 17 PHE A CD1 113 C CD2 . PHE A 17 ? 0.1177 0.0816 0.0879 0.0087 0.0025 -0.0190 17 PHE A CD2 114 C CE1 . PHE A 17 ? 0.1457 0.1261 0.0896 0.0275 0.0116 -0.0021 17 PHE A CE1 115 C CE2 . PHE A 17 ? 0.1251 0.0749 0.0832 0.0054 0.0067 -0.0098 17 PHE A CE2 116 C CZ . PHE A 17 ? 0.1176 0.0987 0.0936 0.0044 -0.0013 -0.0138 17 PHE A CZ 117 N N . ILE A 18 ? 0.1301 0.1316 0.1021 0.0254 0.0118 -0.0122 18 ILE A N 118 C CA . ILE A 18 ? 0.1309 0.1178 0.1112 0.0272 0.0085 -0.0141 18 ILE A CA 119 C C . ILE A 18 ? 0.1340 0.1014 0.1264 0.0359 0.0222 -0.0180 18 ILE A C 120 O O . ILE A 18 ? 0.1262 0.1242 0.1251 0.0246 0.0166 -0.0110 18 ILE A O 121 C CB . ILE A 18 ? 0.1350 0.1471 0.1342 0.0363 0.0238 0.0059 18 ILE A CB 122 C CG1 . ILE A 18 ? 0.1451 0.1409 0.1515 0.0201 0.0316 -0.0056 18 ILE A CG1 123 C CG2 . ILE A 18 ? 0.1288 0.1832 0.1746 0.0502 0.0328 0.0380 18 ILE A CG2 124 C CD1 . ILE A 18 ? 0.1725 0.2136 0.2292 0.0322 0.0888 0.0052 18 ILE A CD1 125 N N . PRO A 19 ? 0.1449 0.0961 0.1061 0.0351 0.0197 -0.0087 19 PRO A N 126 C CA . PRO A 19 ? 0.1243 0.1154 0.1336 0.0307 0.0190 -0.0014 19 PRO A CA 127 C C . PRO A 19 ? 0.1252 0.1011 0.0982 0.0212 0.0103 -0.0114 19 PRO A C 128 O O . PRO A 19 ? 0.1497 0.0831 0.1148 0.0234 0.0115 -0.0027 19 PRO A O 129 C CB . PRO A 19 ? 0.2300 0.1073 0.1519 0.0038 0.0630 -0.0319 19 PRO A CB 130 C CG . PRO A 19 ? 0.2000 0.1288 0.1488 -0.0035 -0.0090 -0.0130 19 PRO A CG 131 C CD . PRO A 19 ? 0.1742 0.0846 0.1276 0.0292 0.0225 -0.0207 19 PRO A CD 132 N N . LEU A 20 ? 0.1185 0.1047 0.0906 0.0167 0.0113 -0.0052 20 LEU A N 133 C CA . LEU A 20 ? 0.1105 0.0992 0.0927 0.0149 -0.0010 -0.0131 20 LEU A CA 134 C C . LEU A 20 ? 0.1096 0.0691 0.1030 0.0096 -0.0010 -0.0051 20 LEU A C 135 O O . LEU A 20 ? 0.0994 0.1005 0.0982 0.0080 0.0026 -0.0112 20 LEU A O 136 C CB . LEU A 20 ? 0.1122 0.0963 0.0935 0.0065 0.0091 -0.0050 20 LEU A CB 137 C CG . LEU A 20 ? 0.0992 0.1084 0.0823 0.0103 0.0006 -0.0074 20 LEU A CG 138 C CD1 . LEU A 20 ? 0.1070 0.1111 0.1118 0.0073 0.0085 -0.0072 20 LEU A CD1 139 C CD2 . LEU A 20 ? 0.1106 0.1065 0.1018 0.0120 -0.0066 -0.0024 20 LEU A CD2 140 N N . ALA A 21 ? 0.1133 0.0843 0.1022 0.0014 0.0073 -0.0056 21 ALA A N 141 C CA . ALA A 21 ? 0.0998 0.0936 0.0999 0.0152 -0.0004 -0.0140 21 ALA A CA 142 C C . ALA A 21 ? 0.1024 0.0946 0.1056 0.0100 0.0148 -0.0055 21 ALA A C 143 O O . ALA A 21 ? 0.1028 0.1070 0.1024 0.0064 0.0066 -0.0096 21 ALA A O 144 C CB . ALA A 21 ? 0.1165 0.1032 0.1192 -0.0031 -0.0054 0.0108 21 ALA A CB 145 N N . GLN A 22 ? 0.1139 0.0975 0.0950 0.0170 0.0132 -0.0056 22 GLN A N 146 C CA . GLN A 22 ? 0.1231 0.1035 0.1114 0.0176 0.0014 0.0066 22 GLN A CA 147 C C . GLN A 22 ? 0.1262 0.0787 0.1081 0.0009 -0.0003 -0.0024 22 GLN A C 148 O O . GLN A 22 ? 0.1315 0.0853 0.1135 0.0151 -0.0014 0.0080 22 GLN A O 149 C CB . GLN A 22 ? 0.1538 0.1064 0.1438 0.0384 0.0190 0.0037 22 GLN A CB 150 C CG . GLN A 22 ? 0.1927 0.1787 0.2121 0.0205 0.0660 0.0045 22 GLN A CG 151 C CD . GLN A 22 ? 0.2979 0.3074 0.3819 0.0881 0.1750 -0.0510 22 GLN A CD 152 O OE1 . GLN A 22 ? 0.2272 0.7378 0.4690 0.2154 0.1171 -0.0115 22 GLN A OE1 153 N NE2 . GLN A 22 ? 0.3639 0.4662 1.1024 0.1361 -0.1303 -0.5112 22 GLN A NE2 154 N N . ASP A 23 ? 0.1244 0.0878 0.0990 0.0041 0.0066 -0.0134 23 ASP A N 155 C CA . ASP A 23 ? 0.1222 0.0795 0.1015 0.0014 0.0054 -0.0011 23 ASP A CA 156 C C . ASP A 23 ? 0.0907 0.0697 0.1072 0.0019 -0.0049 0.0002 23 ASP A C 157 O O . ASP A 23 ? 0.1129 0.0871 0.1089 0.0025 0.0024 -0.0007 23 ASP A O 158 C CB . ASP A 23 ? 0.1294 0.0920 0.1024 -0.0027 0.0074 -0.0144 23 ASP A CB 159 C CG . ASP A 23 ? 0.1265 0.1042 0.1111 0.0059 0.0018 -0.0164 23 ASP A CG 160 O OD1 . ASP A 23 ? 0.1515 0.1151 0.1289 -0.0354 0.0005 -0.0007 23 ASP A OD1 161 O OD2 . ASP A 23 ? 0.1413 0.1299 0.1250 -0.0199 -0.0069 -0.0180 23 ASP A OD2 162 N N . LEU A 24 ? 0.0988 0.0802 0.0976 0.0082 -0.0051 -0.0008 24 LEU A N 163 C CA . LEU A 24 ? 0.0996 0.0764 0.0975 0.0089 -0.0033 0.0035 24 LEU A CA 164 C C . LEU A 24 ? 0.0981 0.0555 0.0997 0.0085 -0.0016 -0.0029 24 LEU A C 165 O O . LEU A 24 ? 0.1130 0.0675 0.0939 0.0089 0.0031 -0.0006 24 LEU A O 166 C CB . LEU A 24 ? 0.1134 0.0798 0.0838 0.0130 0.0036 0.0059 24 LEU A CB 167 C CG . LEU A 24 ? 0.1116 0.0836 0.0900 0.0195 -0.0035 -0.0024 24 LEU A CG 168 C CD1 . LEU A 24 ? 0.1405 0.1000 0.1018 0.0222 -0.0085 0.0200 24 LEU A CD1 169 C CD2 . LEU A 24 ? 0.1191 0.1261 0.0944 0.0353 -0.0019 0.0027 24 LEU A CD2 170 N N . GLN A 25 ? 0.0992 0.0796 0.0910 -0.0088 -0.0037 -0.0009 25 GLN A N 171 C CA . GLN A 25 ? 0.0990 0.0913 0.1012 0.0025 -0.0137 -0.0060 25 GLN A CA 172 C C . GLN A 25 ? 0.1301 0.0883 0.0932 0.0242 -0.0233 0.0025 25 GLN A C 173 O O . GLN A 25 ? 0.1689 0.1051 0.0992 0.0341 -0.0138 0.0113 25 GLN A O 174 C CB . GLN A 25 ? 0.1123 0.0900 0.1115 0.0135 -0.0092 -0.0158 25 GLN A CB 175 C CG . GLN A 25 ? 0.1032 0.0948 0.1257 -0.0012 -0.0053 -0.0131 25 GLN A CG 176 C CD . GLN A 25 ? 0.0812 0.0842 0.1296 0.0063 -0.0096 -0.0039 25 GLN A CD 177 O OE1 . GLN A 25 ? 0.0949 0.1075 0.1354 -0.0041 -0.0033 -0.0252 25 GLN A OE1 178 N NE2 . GLN A 25 ? 0.1075 0.0985 0.1114 -0.0135 -0.0021 -0.0139 25 GLN A NE2 179 N N . GLU A 26 ? 0.1103 0.0857 0.1083 0.0146 -0.0053 0.0071 26 GLU A N 180 C CA . GLU A 26 ? 0.1198 0.0929 0.1292 0.0051 -0.0003 0.0204 26 GLU A CA 181 C C . GLU A 26 ? 0.1243 0.0852 0.1143 0.0104 -0.0111 0.0081 26 GLU A C 182 O O . GLU A 26 ? 0.1152 0.0936 0.1241 0.0083 -0.0086 0.0269 26 GLU A O 183 C CB . GLU A 26 ? 0.1882 0.0812 0.2402 0.0285 0.0664 0.0022 26 GLU A CB 184 C CG . GLU A 26 ? 0.2166 0.1522 0.2875 0.0729 0.0837 0.0148 26 GLU A CG 185 C CD . GLU A 26 ? 0.2800 0.2138 0.2637 0.0672 0.1268 0.0146 26 GLU A CD 186 O OE1 . GLU A 26 ? 0.3962 0.2170 0.3484 0.0243 0.0874 -0.0437 26 GLU A OE1 187 O OE2 . GLU A 26 ? 0.4317 0.4014 0.4665 -0.0113 0.3029 -0.0620 26 GLU A OE2 188 N N . THR A 27 ? 0.1191 0.0705 0.0958 0.0044 -0.0042 0.0070 27 THR A N 189 C CA . THR A 27 ? 0.1156 0.0708 0.0940 -0.0048 -0.0074 0.0096 27 THR A CA 190 C C . THR A 27 ? 0.1060 0.0694 0.0858 0.0002 -0.0123 0.0047 27 THR A C 191 O O . THR A 27 ? 0.1140 0.0755 0.1101 -0.0079 0.0021 0.0048 27 THR A O 192 C CB . THR A 27 ? 0.1157 0.0886 0.1023 -0.0086 -0.0086 -0.0062 27 THR A CB 193 O OG1 . THR A 27 ? 0.1407 0.0841 0.1110 -0.0155 0.0081 -0.0102 27 THR A OG1 194 C CG2 . THR A 27 ? 0.1189 0.1164 0.1073 -0.0223 -0.0052 -0.0017 27 THR A CG2 195 N N . ILE A 28 ? 0.0914 0.0741 0.0843 -0.0022 -0.0081 0.0077 28 ILE A N 196 C CA . ILE A 28 ? 0.0953 0.0677 0.0955 -0.0017 0.0023 -0.0009 28 ILE A CA 197 C C . ILE A 28 ? 0.0952 0.0616 0.0882 0.0114 -0.0034 0.0061 28 ILE A C 198 O O . ILE A 28 ? 0.0990 0.0740 0.1006 0.0008 -0.0038 -0.0071 28 ILE A O 199 C CB . ILE A 28 ? 0.1040 0.0733 0.0886 0.0018 -0.0129 -0.0055 28 ILE A CB 200 C CG1 . ILE A 28 ? 0.0931 0.0728 0.0978 0.0033 -0.0044 -0.0047 28 ILE A CG1 201 C CG2 . ILE A 28 ? 0.0990 0.0845 0.1331 -0.0032 -0.0046 -0.0003 28 ILE A CG2 202 C CD1 . ILE A 28 ? 0.1053 0.0943 0.1080 -0.0015 -0.0137 0.0153 28 ILE A CD1 203 N N . PHE A 29 ? 0.0987 0.0566 0.0867 0.0021 -0.0070 0.0018 29 PHE A N 204 C CA . PHE A 29 ? 0.0964 0.0704 0.0896 0.0022 -0.0101 -0.0062 29 PHE A CA 205 C C . PHE A 29 ? 0.1130 0.0690 0.1013 -0.0049 -0.0206 0.0047 29 PHE A C 206 O O . PHE A 29 ? 0.1004 0.0904 0.1078 0.0028 -0.0218 -0.0088 29 PHE A O 207 C CB . PHE A 29 ? 0.0999 0.0665 0.0961 0.0008 -0.0005 -0.0055 29 PHE A CB 208 C CG . PHE A 29 ? 0.0962 0.0724 0.0956 0.0006 -0.0001 -0.0024 29 PHE A CG 209 C CD1 . PHE A 29 ? 0.1064 0.0796 0.0974 0.0053 0.0094 0.0018 29 PHE A CD1 210 C CD2 . PHE A 29 ? 0.1039 0.0781 0.0938 0.0076 -0.0005 -0.0120 29 PHE A CD2 211 C CE1 . PHE A 29 ? 0.1247 0.0782 0.0929 0.0135 -0.0074 -0.0041 29 PHE A CE1 212 C CE2 . PHE A 29 ? 0.0920 0.0809 0.1104 0.0032 -0.0076 -0.0135 29 PHE A CE2 213 C CZ . PHE A 29 ? 0.1109 0.0717 0.1172 0.0041 -0.0067 0.0034 29 PHE A CZ 214 N N . GLN A 30 ? 0.1315 0.0741 0.1131 0.0051 -0.0359 0.0052 30 GLN A N 215 C CA . GLN A 30 ? 0.1253 0.0751 0.1213 0.0030 -0.0361 0.0156 30 GLN A CA 216 C C . GLN A 30 ? 0.1178 0.0563 0.1083 0.0117 -0.0246 0.0006 30 GLN A C 217 O O . GLN A 30 ? 0.1130 0.0870 0.1140 0.0060 -0.0254 0.0133 30 GLN A O 218 C CB . GLN A 30 ? 0.1166 0.0819 0.1347 0.0005 -0.0369 0.0208 30 GLN A CB 219 C CG . GLN A 30 ? 0.1250 0.0742 0.1757 0.0018 -0.0362 0.0202 30 GLN A CG 220 C CD . GLN A 30 ? 0.1217 0.0737 0.1367 -0.0058 -0.0377 0.0194 30 GLN A CD 221 O OE1 . GLN A 30 ? 0.1261 0.0931 0.1389 0.0063 -0.0328 0.0108 30 GLN A OE1 222 N NE2 . GLN A 30 ? 0.1058 0.0914 0.1341 0.0076 -0.0127 0.0042 30 GLN A NE2 223 N N . ASN A 31 ? 0.1149 0.0782 0.1032 0.0155 -0.0159 0.0015 31 ASN A N 224 C CA . ASN A 31 ? 0.1242 0.0733 0.1079 0.0063 -0.0044 0.0104 31 ASN A CA 225 C C . ASN A 31 ? 0.1244 0.0782 0.0951 0.0020 -0.0172 0.0113 31 ASN A C 226 O O . ASN A 31 ? 0.1316 0.1628 0.1369 -0.0372 -0.0036 -0.0195 31 ASN A O 227 C CB . ASN A 31 ? 0.1127 0.1428 0.1446 0.0270 0.0022 0.0109 31 ASN A CB 228 C CG . ASN A 31 ? 0.1951 0.2109 0.1821 0.0900 0.0110 -0.0383 31 ASN A CG 229 O OD1 . ASN A 31 ? 0.5567 0.1735 0.3189 0.0838 0.0661 -0.0086 31 ASN A OD1 230 N ND2 . ASN A 31 ? 0.2861 0.3811 0.1627 0.2210 -0.0054 -0.0665 31 ASN A ND2 231 N N . GLU A 32 ? 0.1148 0.0743 0.1107 0.0081 -0.0229 0.0008 32 GLU A N 232 C CA . GLU A 32 ? 0.1030 0.0851 0.0992 0.0009 -0.0290 0.0022 32 GLU A CA 233 C C . GLU A 32 ? 0.0842 0.0749 0.0918 -0.0028 -0.0212 0.0050 32 GLU A C 234 O O . GLU A 32 ? 0.0989 0.0838 0.0912 0.0005 -0.0237 0.0043 32 GLU A O 235 C CB . GLU A 32 ? 0.1967 0.1013 0.1000 -0.0142 -0.0183 0.0266 32 GLU A CB 236 C CG . GLU A 32 ? 0.2002 0.1006 0.1163 0.0083 0.0128 0.0193 32 GLU A CG 237 C CD . GLU A 32 ? 0.3965 0.1573 0.1819 0.0555 -0.1650 -0.0234 32 GLU A CD 238 O OE1 . GLU A 32 ? 0.3874 0.1873 0.2309 0.0771 -0.1211 0.0188 32 GLU A OE1 239 O OE2 . GLU A 32 ? 0.2881 0.1769 0.2300 0.0194 -0.0889 -0.0221 32 GLU A OE2 240 N N . CYS A 33 ? 0.0900 0.0855 0.1008 0.0046 -0.0242 -0.0007 33 CYS A N 241 C CA . CYS A 33 ? 0.0955 0.0845 0.0991 0.0064 -0.0167 -0.0117 33 CYS A CA 242 C C . CYS A 33 ? 0.1095 0.0752 0.0939 0.0052 -0.0183 -0.0010 33 CYS A C 243 O O . CYS A 33 ? 0.1369 0.1010 0.1142 0.0022 0.0042 -0.0163 33 CYS A O 244 C CB . CYS A 33 ? 0.1093 0.0805 0.1358 0.0018 -0.0224 0.0034 33 CYS A CB 245 S SG . CYS A 33 ? 0.1110 0.0870 0.1107 0.0043 0.0036 -0.0030 33 CYS A SG 246 N N . GLY A 34 ? 0.0983 0.1017 0.0860 -0.0017 -0.0263 0.0100 34 GLY A N 247 C CA . GLY A 34 ? 0.1140 0.1127 0.0891 -0.0056 -0.0232 0.0296 34 GLY A CA 248 C C . GLY A 34 ? 0.1052 0.0831 0.0701 -0.0017 -0.0103 0.0060 34 GLY A C 249 O O . GLY A 34 ? 0.1102 0.0940 0.0793 0.0023 -0.0190 0.0143 34 GLY A O 250 N N . GLU A 35 ? 0.1039 0.0879 0.0824 -0.0023 -0.0145 0.0161 35 GLU A N 251 C CA . GLU A 35 ? 0.1052 0.0707 0.0857 0.0006 -0.0008 0.0066 35 GLU A CA 252 C C . GLU A 35 ? 0.0864 0.0653 0.0716 -0.0060 0.0004 0.0093 35 GLU A C 253 O O . GLU A 35 ? 0.0981 0.0709 0.0905 0.0044 -0.0088 -0.0004 35 GLU A O 254 C CB . GLU A 35 ? 0.1045 0.0619 0.0298 -0.0225 -0.0065 -0.0116 35 GLU A CB 255 C CG A GLU A 35 ? 0.1081 0.1212 0.0701 -0.0265 0.0034 0.0056 35 GLU A CG 256 C CG B GLU A 35 ? 0.0927 0.2443 0.2817 -0.0135 0.0194 -0.0257 35 GLU A CG 257 C CD A GLU A 35 ? 0.1190 0.1270 0.3836 0.0269 -0.0838 -0.0860 35 GLU A CD 258 C CD B GLU A 35 ? 0.1155 0.3071 0.1711 0.0881 0.0295 -0.0366 35 GLU A CD 259 O OE1 A GLU A 35 ? 0.1221 0.3043 0.5064 0.0311 -0.0682 -0.2628 35 GLU A OE1 260 O OE1 B GLU A 35 ? 0.1691 0.2626 0.1567 0.0056 -0.0068 0.0304 35 GLU A OE1 261 O OE2 A GLU A 35 ? 0.1225 0.1380 0.0714 -0.0087 -0.0057 -0.0093 35 GLU A OE2 262 O OE2 B GLU A 35 ? 0.2694 0.1926 0.4128 0.0046 -0.2090 -0.0263 35 GLU A OE2 263 N N . ASP A 36 ? 0.1029 0.0658 0.0809 0.0044 -0.0169 0.0091 36 ASP A N 264 C CA . ASP A 36 ? 0.1066 0.0664 0.0747 0.0001 -0.0088 0.0002 36 ASP A CA 265 C C . ASP A 36 ? 0.0948 0.0637 0.0727 0.0049 -0.0140 -0.0022 36 ASP A C 266 O O . ASP A 36 ? 0.0950 0.0712 0.0900 0.0019 -0.0183 0.0096 36 ASP A O 267 C CB . ASP A 36 ? 0.1000 0.0682 0.0866 0.0024 -0.0032 0.0010 36 ASP A CB 268 C CG . ASP A 36 ? 0.1090 0.0806 0.0864 -0.0081 -0.0148 -0.0004 36 ASP A CG 269 O OD1 . ASP A 36 ? 0.1225 0.0698 0.1265 -0.0157 0.0009 -0.0102 36 ASP A OD1 270 O OD2 . ASP A 36 ? 0.1310 0.0936 0.1224 -0.0209 0.0234 -0.0097 36 ASP A OD2 271 N N . ALA A 37 ? 0.0987 0.0732 0.0656 0.0002 -0.0147 0.0035 37 ALA A N 272 C CA . ALA A 37 ? 0.0863 0.0805 0.0733 0.0071 -0.0103 0.0039 37 ALA A CA 273 C C . ALA A 37 ? 0.0839 0.0764 0.0731 0.0078 -0.0222 0.0043 37 ALA A C 274 O O . ALA A 37 ? 0.0820 0.0792 0.0859 0.0004 -0.0166 0.0114 37 ALA A O 275 C CB . ALA A 37 ? 0.0912 0.0883 0.0917 0.0186 -0.0074 0.0077 37 ALA A CB 276 N N . HIS A 38 ? 0.0868 0.0679 0.0816 0.0101 -0.0226 0.0039 38 HIS A N 277 C CA . HIS A 38 ? 0.0924 0.0746 0.0900 0.0110 -0.0208 0.0036 38 HIS A CA 278 C C . HIS A 38 ? 0.0834 0.0654 0.0712 0.0090 -0.0197 -0.0033 38 HIS A C 279 O O . HIS A 38 ? 0.0984 0.0703 0.0781 0.0089 -0.0162 0.0041 38 HIS A O 280 C CB . HIS A 38 ? 0.1070 0.0611 0.0886 0.0091 -0.0281 -0.0021 38 HIS A CB 281 C CG . HIS A 38 ? 0.1247 0.0614 0.0944 -0.0120 -0.0390 -0.0013 38 HIS A CG 282 N ND1 . HIS A 38 ? 0.1403 0.1206 0.0919 0.0129 -0.0430 -0.0145 38 HIS A ND1 283 C CD2 . HIS A 38 ? 0.1211 0.0854 0.1209 -0.0148 -0.0469 0.0092 38 HIS A CD2 284 C CE1 . HIS A 38 ? 0.1690 0.1159 0.1045 -0.0111 -0.0714 -0.0150 38 HIS A CE1 285 N NE2 . HIS A 38 ? 0.1384 0.0898 0.1432 0.0056 -0.0665 -0.0084 38 HIS A NE2 286 N N . GLU A 39 ? 0.0872 0.0741 0.0765 0.0103 -0.0205 0.0038 39 GLU A N 287 C CA . GLU A 39 ? 0.0854 0.0742 0.0789 0.0071 -0.0172 -0.0044 39 GLU A CA 288 C C . GLU A 39 ? 0.0797 0.0654 0.0780 0.0006 -0.0157 0.0017 39 GLU A C 289 O O . GLU A 39 ? 0.0899 0.0825 0.0757 0.0073 -0.0198 0.0031 39 GLU A O 290 C CB A GLU A 39 ? 0.1007 0.1220 0.0822 -0.0273 -0.0212 0.0121 39 GLU A CB 291 C CB B GLU A 39 ? 0.0892 0.0892 0.0941 -0.0056 -0.0177 0.0151 39 GLU A CB 292 C CG A GLU A 39 ? 0.1177 0.2096 0.0810 -0.0211 -0.0283 0.0471 39 GLU A CG 293 C CG B GLU A 39 ? 0.0847 0.1146 0.1155 0.0191 0.0119 0.0108 39 GLU A CG 294 C CD A GLU A 39 ? 0.1773 0.2767 0.0962 -0.1020 -0.0123 0.0318 39 GLU A CD 295 C CD B GLU A 39 ? 0.1569 0.3204 0.1051 -0.0996 -0.0348 0.0826 39 GLU A CD 296 O OE1 A GLU A 39 ? 0.1566 0.2075 0.1397 -0.0382 -0.0281 0.0742 39 GLU A OE1 297 O OE1 B GLU A 39 ? 0.2098 0.5387 0.2258 -0.2039 -0.1212 0.2459 39 GLU A OE1 298 O OE2 A GLU A 39 ? 0.2421 0.3375 0.1368 -0.1022 0.0394 0.0427 39 GLU A OE2 299 O OE2 B GLU A 39 ? 0.1300 0.1772 0.1416 -0.0205 -0.0396 0.0430 39 GLU A OE2 300 N N . VAL A 40 ? 0.0944 0.0707 0.0803 0.0087 -0.0134 0.0000 40 VAL A N 301 C CA . VAL A 40 ? 0.0871 0.0677 0.0759 0.0082 -0.0163 0.0031 40 VAL A CA 302 C C . VAL A 40 ? 0.0832 0.0667 0.0740 0.0085 -0.0063 -0.0070 40 VAL A C 303 O O . VAL A 40 ? 0.1010 0.0782 0.0710 0.0107 -0.0182 0.0058 40 VAL A O 304 C CB . VAL A 40 ? 0.0844 0.0661 0.0917 0.0067 -0.0084 0.0014 40 VAL A CB 305 C CG1 . VAL A 40 ? 0.1237 0.0909 0.1046 0.0162 0.0159 -0.0010 40 VAL A CG1 306 C CG2 . VAL A 40 ? 0.1089 0.0654 0.1062 0.0024 -0.0212 -0.0028 40 VAL A CG2 307 N N . ILE A 41 ? 0.0961 0.0650 0.0727 -0.0002 -0.0162 0.0039 41 ILE A N 308 C CA . ILE A 41 ? 0.1035 0.0649 0.0886 0.0019 -0.0193 -0.0048 41 ILE A CA 309 C C . ILE A 41 ? 0.0978 0.0505 0.0864 -0.0086 -0.0170 0.0039 41 ILE A C 310 O O . ILE A 41 ? 0.1127 0.0667 0.0818 0.0037 -0.0133 0.0072 41 ILE A O 311 C CB . ILE A 41 ? 0.1037 0.0611 0.1032 0.0010 -0.0281 0.0028 41 ILE A CB 312 C CG1 . ILE A 41 ? 0.0999 0.0842 0.0920 0.0060 -0.0168 -0.0050 41 ILE A CG1 313 C CG2 . ILE A 41 ? 0.1128 0.0776 0.0984 -0.0102 -0.0042 -0.0010 41 ILE A CG2 314 C CD1 . ILE A 41 ? 0.0992 0.0796 0.1089 0.0030 -0.0207 0.0125 41 ILE A CD1 315 N N . ARG A 42 ? 0.0984 0.0590 0.0865 -0.0043 -0.0200 0.0085 42 ARG A N 316 C CA . ARG A 42 ? 0.1148 0.0632 0.0686 0.0091 -0.0177 -0.0034 42 ARG A CA 317 C C . ARG A 42 ? 0.1012 0.0714 0.0743 0.0158 -0.0166 0.0006 42 ARG A C 318 O O . ARG A 42 ? 0.1044 0.0722 0.0873 0.0257 -0.0197 0.0026 42 ARG A O 319 C CB A ARG A 42 ? 0.1772 0.1109 0.0798 0.0418 0.0211 0.0130 42 ARG A CB 320 C CB B ARG A 42 ? 0.0838 0.0680 0.0727 -0.0242 -0.0303 0.0010 42 ARG A CB 321 C CG A ARG A 42 ? 0.0868 0.1073 0.0584 0.0097 -0.0253 0.0193 42 ARG A CG 322 C CG B ARG A 42 ? 0.1177 0.1346 0.1387 0.0153 0.0008 -0.0335 42 ARG A CG 323 C CD A ARG A 42 ? 0.1039 0.0800 0.0733 0.0025 -0.0083 0.0002 42 ARG A CD 324 C CD B ARG A 42 ? 0.1531 0.2373 0.1567 0.0100 0.0346 -0.0497 42 ARG A CD 325 N NE A ARG A 42 ? 0.1082 0.1237 0.0752 0.0348 -0.0217 0.0110 42 ARG A NE 326 N NE B ARG A 42 ? 0.1413 0.2442 0.1279 0.0067 0.0339 0.0133 42 ARG A NE 327 C CZ A ARG A 42 ? 0.1105 0.2382 0.0997 0.0275 0.0076 -0.0295 42 ARG A CZ 328 C CZ B ARG A 42 ? 0.1456 0.1649 0.1074 0.0004 0.0257 0.0043 42 ARG A CZ 329 N NH1 A ARG A 42 ? 0.1454 0.3169 0.0537 -0.0459 -0.0100 0.0051 42 ARG A NH1 330 N NH1 B ARG A 42 ? 0.3070 0.2108 0.1170 -0.0798 -0.0429 0.0393 42 ARG A NH1 331 N NH2 A ARG A 42 ? 0.1907 0.3046 0.0648 0.1239 0.0155 0.0064 42 ARG A NH2 332 N NH2 B ARG A 42 ? 0.1567 0.2756 0.1276 0.0567 0.0062 -0.0317 42 ARG A NH2 333 N N . LEU A 43 ? 0.1056 0.0703 0.0784 0.0106 -0.0290 -0.0013 43 LEU A N 334 C CA . LEU A 43 ? 0.0956 0.0809 0.0841 0.0130 -0.0231 -0.0065 43 LEU A CA 335 C C . LEU A 43 ? 0.0952 0.0657 0.0886 0.0072 -0.0390 -0.0042 43 LEU A C 336 O O . LEU A 43 ? 0.0911 0.0863 0.0780 0.0119 -0.0298 -0.0074 43 LEU A O 337 C CB . LEU A 43 ? 0.1007 0.0810 0.0897 0.0051 -0.0263 -0.0099 43 LEU A CB 338 C CG . LEU A 43 ? 0.0959 0.0979 0.0837 0.0116 -0.0171 -0.0079 43 LEU A CG 339 C CD1 . LEU A 43 ? 0.1005 0.1136 0.1037 0.0036 -0.0322 -0.0056 43 LEU A CD1 340 C CD2 . LEU A 43 ? 0.1192 0.1046 0.1433 0.0077 -0.0331 -0.0469 43 LEU A CD2 341 N N . THR A 44 ? 0.0960 0.1059 0.0779 0.0249 -0.0230 -0.0088 44 THR A N 342 C CA . THR A 44 ? 0.0915 0.1113 0.0986 0.0186 -0.0154 -0.0202 44 THR A CA 343 C C . THR A 44 ? 0.0756 0.1059 0.0933 -0.0047 -0.0186 -0.0181 44 THR A C 344 O O . THR A 44 ? 0.0964 0.1136 0.0889 -0.0011 -0.0151 -0.0099 44 THR A O 345 C CB . THR A 44 ? 0.0969 0.1382 0.1536 0.0239 -0.0029 -0.0306 44 THR A CB 346 O OG1 A THR A 44 ? 0.0787 0.1591 0.1236 0.0031 -0.0035 -0.0088 44 THR A OG1 347 O OG1 B THR A 44 ? 0.0780 0.1500 0.1571 0.0488 -0.0323 -0.0405 44 THR A OG1 348 C CG2 A THR A 44 ? 0.1340 0.1533 0.2572 0.0565 -0.0575 -0.0621 44 THR A CG2 349 C CG2 B THR A 44 ? 0.0860 0.1958 0.0839 0.0197 -0.0250 -0.0302 44 THR A CG2 350 N N . PHE A 45 ? 0.0759 0.1012 0.0868 -0.0039 -0.0026 -0.0081 45 PHE A N 351 C CA . PHE A 45 ? 0.0890 0.0936 0.0751 -0.0162 -0.0038 0.0004 45 PHE A CA 352 C C . PHE A 45 ? 0.0851 0.0801 0.0644 -0.0080 -0.0169 0.0048 45 PHE A C 353 O O . PHE A 45 ? 0.0986 0.0859 0.0844 -0.0173 -0.0105 0.0079 45 PHE A O 354 C CB . PHE A 45 ? 0.0826 0.1063 0.0810 -0.0225 -0.0211 -0.0067 45 PHE A CB 355 C CG . PHE A 45 ? 0.1163 0.1099 0.0759 -0.0138 -0.0292 -0.0125 45 PHE A CG 356 C CD1 . PHE A 45 ? 0.1056 0.1443 0.1533 -0.0125 0.0136 -0.0424 45 PHE A CD1 357 C CD2 . PHE A 45 ? 0.1854 0.1049 0.1176 -0.0157 -0.0551 -0.0045 45 PHE A CD2 358 C CE1 . PHE A 45 ? 0.0983 0.1568 0.2489 0.0037 0.0006 -0.0798 45 PHE A CE1 359 C CE2 . PHE A 45 ? 0.2204 0.1015 0.1861 -0.0056 -0.1076 -0.0274 45 PHE A CE2 360 C CZ . PHE A 45 ? 0.1565 0.1372 0.2574 0.0153 -0.0864 -0.0777 45 PHE A CZ 361 N N . HIS A 46 ? 0.0766 0.0925 0.0622 -0.0050 -0.0064 -0.0034 46 HIS A N 362 C CA . HIS A 46 ? 0.0793 0.0680 0.0724 0.0059 -0.0169 0.0026 46 HIS A CA 363 C C . HIS A 46 ? 0.0663 0.0682 0.0762 -0.0026 -0.0102 0.0036 46 HIS A C 364 O O . HIS A 46 ? 0.0865 0.0852 0.0828 0.0160 -0.0227 0.0050 46 HIS A O 365 C CB . HIS A 46 ? 0.0862 0.0913 0.0696 -0.0105 -0.0053 -0.0047 46 HIS A CB 366 C CG . HIS A 46 ? 0.0904 0.0923 0.0775 0.0061 -0.0060 0.0010 46 HIS A CG 367 N ND1 . HIS A 46 ? 0.0961 0.0925 0.0645 0.0085 0.0008 0.0036 46 HIS A ND1 368 C CD2 . HIS A 46 ? 0.1002 0.1189 0.0913 0.0013 -0.0180 -0.0268 46 HIS A CD2 369 C CE1 . HIS A 46 ? 0.1056 0.0918 0.0854 0.0047 -0.0141 0.0012 46 HIS A CE1 370 N NE2 . HIS A 46 ? 0.0990 0.1377 0.0984 0.0046 -0.0087 -0.0228 46 HIS A NE2 371 N N . ASP A 47 ? 0.0781 0.0676 0.0698 0.0013 -0.0127 0.0068 47 ASP A N 372 C CA . ASP A 47 ? 0.0728 0.0729 0.0778 -0.0038 -0.0181 -0.0039 47 ASP A CA 373 C C . ASP A 47 ? 0.0741 0.0776 0.0670 0.0011 -0.0191 -0.0038 47 ASP A C 374 O O . ASP A 47 ? 0.0730 0.0842 0.0731 -0.0103 -0.0160 0.0055 47 ASP A O 375 C CB . ASP A 47 ? 0.0643 0.0714 0.0740 -0.0063 -0.0071 0.0036 47 ASP A CB 376 C CG . ASP A 47 ? 0.0853 0.0818 0.0702 0.0019 -0.0072 0.0066 47 ASP A CG 377 O OD1 . ASP A 47 ? 0.0877 0.1049 0.0852 -0.0007 -0.0016 -0.0169 47 ASP A OD1 378 O OD2 . ASP A 47 ? 0.1083 0.0794 0.0859 0.0167 -0.0330 -0.0037 47 ASP A OD2 379 N N . ALA A 48 ? 0.0731 0.0776 0.0651 -0.0139 -0.0164 0.0016 48 ALA A N 380 C CA . ALA A 48 ? 0.0828 0.0790 0.0648 -0.0088 -0.0117 -0.0011 48 ALA A CA 381 C C . ALA A 48 ? 0.0675 0.0749 0.0766 -0.0063 -0.0012 0.0097 48 ALA A C 382 O O . ALA A 48 ? 0.0827 0.0835 0.0793 -0.0076 -0.0120 0.0098 48 ALA A O 383 C CB . ALA A 48 ? 0.0672 0.0818 0.0891 -0.0118 0.0022 -0.0021 48 ALA A CB 384 N N . ILE A 49 ? 0.0840 0.0725 0.0811 -0.0038 -0.0056 0.0043 49 ILE A N 385 C CA . ILE A 49 ? 0.0798 0.0774 0.0836 -0.0011 -0.0189 0.0023 49 ILE A CA 386 C C . ILE A 49 ? 0.0870 0.0649 0.0675 -0.0106 -0.0156 0.0058 49 ILE A C 387 O O . ILE A 49 ? 0.0995 0.0640 0.0930 -0.0017 -0.0203 0.0050 49 ILE A O 388 C CB . ILE A 49 ? 0.0708 0.0961 0.0829 -0.0057 -0.0120 -0.0082 49 ILE A CB 389 C CG1 . ILE A 49 ? 0.1038 0.1006 0.0927 -0.0087 -0.0195 -0.0171 49 ILE A CG1 390 C CG2 . ILE A 49 ? 0.0920 0.0981 0.0863 0.0005 -0.0059 -0.0124 49 ILE A CG2 391 C CD1 . ILE A 49 ? 0.1227 0.0759 0.0956 -0.0220 -0.0184 -0.0005 49 ILE A CD1 392 N N . ALA A 50 ? 0.0813 0.0666 0.0702 -0.0029 -0.0183 0.0015 50 ALA A N 393 C CA . ALA A 50 ? 0.0764 0.0852 0.0810 -0.0057 -0.0222 0.0007 50 ALA A CA 394 C C . ALA A 50 ? 0.0827 0.0692 0.0880 0.0013 -0.0159 0.0079 50 ALA A C 395 O O . ALA A 50 ? 0.0926 0.0761 0.0924 -0.0132 -0.0270 -0.0009 50 ALA A O 396 C CB . ALA A 50 ? 0.0874 0.0939 0.0802 -0.0138 -0.0188 0.0120 50 ALA A CB 397 N N . ILE A 51 ? 0.0831 0.0677 0.0957 -0.0002 -0.0130 0.0026 51 ILE A N 398 C CA . ILE A 51 ? 0.0982 0.0704 0.0839 -0.0019 -0.0176 0.0032 51 ILE A CA 399 C C . ILE A 51 ? 0.0760 0.0692 0.1018 -0.0071 -0.0195 0.0063 51 ILE A C 400 O O . ILE A 51 ? 0.1053 0.0719 0.0962 -0.0005 -0.0325 -0.0022 51 ILE A O 401 C CB . ILE A 51 ? 0.0967 0.0707 0.0906 -0.0033 -0.0199 0.0104 51 ILE A CB 402 C CG1 . ILE A 51 ? 0.1053 0.0863 0.0983 0.0038 -0.0113 0.0101 51 ILE A CG1 403 C CG2 . ILE A 51 ? 0.0917 0.0766 0.1126 0.0097 -0.0136 0.0036 51 ILE A CG2 404 C CD1 . ILE A 51 ? 0.1392 0.1282 0.1166 0.0110 0.0095 -0.0010 51 ILE A CD1 405 N N . SER A 52 ? 0.1234 0.0769 0.0890 0.0068 -0.0289 0.0049 52 SER A N 406 C CA . SER A 52 ? 0.1098 0.0787 0.0904 0.0064 -0.0258 0.0035 52 SER A CA 407 C C . SER A 52 ? 0.1188 0.0787 0.1033 -0.0003 -0.0328 0.0152 52 SER A C 408 O O . SER A 52 ? 0.1314 0.0925 0.0983 -0.0060 -0.0396 0.0135 52 SER A O 409 C CB . SER A 52 ? 0.1108 0.0891 0.1115 0.0082 -0.0277 0.0125 52 SER A CB 410 O OG . SER A 52 ? 0.1295 0.0861 0.1185 0.0155 -0.0286 0.0069 52 SER A OG 411 N N . ARG A 53 ? 0.1198 0.1101 0.0985 -0.0145 -0.0357 0.0226 53 ARG A N 412 C CA . ARG A 53 ? 0.1709 0.0960 0.1078 -0.0254 -0.0427 0.0339 53 ARG A CA 413 C C . ARG A 53 ? 0.1679 0.1087 0.1224 -0.0280 -0.0547 0.0462 53 ARG A C 414 O O . ARG A 53 ? 0.2091 0.1573 0.1209 -0.0246 -0.0693 0.0449 53 ARG A O 415 C CB . ARG A 53 ? 0.1662 0.1296 0.1455 -0.0417 -0.0478 0.0467 53 ARG A CB 416 C CG . ARG A 53 ? 0.1776 0.1427 0.1151 -0.0303 -0.0192 0.0282 53 ARG A CG 417 C CD . ARG A 53 ? 0.1788 0.2426 0.2562 -0.0835 -0.0842 0.1009 53 ARG A CD 418 N NE . ARG A 53 ? 0.1970 0.3178 0.2053 -0.0792 -0.0571 0.0788 53 ARG A NE 419 C CZ . ARG A 53 ? 0.1832 0.3868 0.2002 -0.1000 -0.0862 0.1671 53 ARG A CZ 420 N NH1 . ARG A 53 ? 0.3691 0.3238 0.3576 -0.1773 -0.1797 0.1681 53 ARG A NH1 421 N NH2 . ARG A 53 ? 0.1800 0.7783 0.2480 -0.0366 -0.0609 0.1932 53 ARG A NH2 422 N N . SER A 54 ? 0.1676 0.1112 0.1333 -0.0029 -0.0644 0.0399 54 SER A N 423 C CA . SER A 54 ? 0.2020 0.0673 0.1787 -0.0054 -0.0845 0.0342 54 SER A CA 424 C C . SER A 54 ? 0.1742 0.1039 0.1731 0.0003 -0.0775 0.0397 54 SER A C 425 O O . SER A 54 ? 0.2189 0.1319 0.2064 0.0197 -0.1151 0.0411 54 SER A O 426 C CB . SER A 54 ? 0.2137 0.0915 0.2080 0.0127 -0.0832 0.0136 54 SER A CB 427 O OG . SER A 54 ? 0.2245 0.1240 0.1853 0.0380 -0.0657 -0.0017 54 SER A OG 428 N N . GLN A 55 ? 0.1562 0.0910 0.1535 0.0064 -0.0609 0.0135 55 GLN A N 429 C CA . GLN A 55 ? 0.1353 0.0996 0.1619 0.0155 -0.0510 0.0173 55 GLN A CA 430 C C . GLN A 55 ? 0.1558 0.1062 0.1643 0.0119 -0.0744 0.0086 55 GLN A C 431 O O . GLN A 55 ? 0.1753 0.1725 0.2035 -0.0120 -0.0804 -0.0033 55 GLN A O 432 C CB . GLN A 55 ? 0.1283 0.1177 0.1781 0.0121 -0.0472 0.0237 55 GLN A CB 433 C CG . GLN A 55 ? 0.1526 0.1392 0.1807 0.0123 -0.0143 0.0311 55 GLN A CG 434 C CD . GLN A 55 ? 0.2527 0.1409 0.2267 0.0453 0.0339 0.0639 55 GLN A CD 435 O OE1 . GLN A 55 ? 0.3532 0.1690 0.3312 -0.0540 0.1510 -0.0073 55 GLN A OE1 436 N NE2 . GLN A 55 ? 0.3131 0.3054 0.2161 0.1493 0.0349 0.1142 55 GLN A NE2 437 N N . GLY A 56 ? 0.1704 0.1103 0.1378 -0.0016 -0.0542 0.0128 56 GLY A N 438 C CA . GLY A 56 ? 0.1900 0.1128 0.1222 -0.0047 -0.0527 0.0306 56 GLY A CA 439 C C . GLY A 56 ? 0.1176 0.1087 0.1124 -0.0221 -0.0322 0.0250 56 GLY A C 440 O O . GLY A 56 ? 0.1217 0.1146 0.0952 -0.0147 -0.0365 0.0171 56 GLY A O 441 N N . PRO A 57 ? 0.1473 0.1220 0.0953 -0.0281 -0.0195 0.0254 57 PRO A N 442 C CA . PRO A 57 ? 0.1872 0.1282 0.0990 -0.0205 -0.0122 0.0120 57 PRO A CA 443 C C . PRO A 57 ? 0.1772 0.1156 0.1026 -0.0326 -0.0609 0.0202 57 PRO A C 444 O O . PRO A 57 ? 0.1612 0.1277 0.1189 -0.0240 -0.0566 0.0322 57 PRO A O 445 C CB . PRO A 57 ? 0.4464 0.1617 0.1308 -0.0278 0.0752 -0.0037 57 PRO A CB 446 C CG . PRO A 57 ? 0.3864 0.2208 0.1140 0.0556 0.0483 0.0262 57 PRO A CG 447 C CD . PRO A 57 ? 0.2240 0.1633 0.1052 -0.0474 -0.0220 0.0414 57 PRO A CD 448 N N . LYS A 58 ? 0.1716 0.1217 0.1158 -0.0347 -0.0593 0.0492 58 LYS A N 449 C CA . LYS A 58 ? 0.1746 0.1205 0.1392 -0.0486 -0.0799 0.0598 58 LYS A CA 450 C C . LYS A 58 ? 0.1109 0.1319 0.1336 -0.0124 -0.0420 0.0460 58 LYS A C 451 O O . LYS A 58 ? 0.1335 0.1749 0.1686 -0.0480 -0.0469 0.0758 58 LYS A O 452 C CB . LYS A 58 ? 0.1632 0.2530 0.2009 -0.0736 -0.1144 0.1204 58 LYS A CB 453 C CG . LYS A 58 ? 0.4813 0.9262 0.6046 0.4646 -0.2099 -0.2239 58 LYS A CG 454 C CD . LYS A 58 ? 0.5408 1.1521 0.7590 0.5787 -0.2123 -0.0174 58 LYS A CD 455 C CE . LYS A 58 ? 0.8595 1.2379 0.5252 0.7126 -0.0595 0.0803 58 LYS A CE 456 N NZ . LYS A 58 ? 1.8981 1.8643 0.2611 0.8628 -0.4127 0.0777 58 LYS A NZ 457 N N . ALA A 59 ? 0.0989 0.1226 0.1266 0.0040 -0.0339 0.0378 59 ALA A N 458 C CA . ALA A 59 ? 0.0988 0.1083 0.1276 0.0058 -0.0145 0.0344 59 ALA A CA 459 C C . ALA A 59 ? 0.0846 0.0933 0.1057 -0.0015 -0.0173 0.0191 59 ALA A C 460 O O . ALA A 59 ? 0.0984 0.1000 0.1005 0.0092 -0.0118 0.0178 59 ALA A O 461 C CB . ALA A 59 ? 0.1668 0.0998 0.1120 0.0205 0.0014 0.0199 59 ALA A CB 462 N N . GLY A 60 ? 0.1000 0.0900 0.0941 0.0005 -0.0241 0.0177 60 GLY A N 463 C CA . GLY A 60 ? 0.0968 0.0885 0.0767 0.0020 -0.0150 0.0101 60 GLY A CA 464 C C . GLY A 60 ? 0.0987 0.0788 0.0796 -0.0065 -0.0185 0.0061 60 GLY A C 465 O O . GLY A 60 ? 0.1146 0.0778 0.1017 -0.0056 -0.0118 0.0087 60 GLY A O 466 N N . GLY A 61 ? 0.0848 0.0735 0.0912 -0.0062 -0.0162 0.0057 61 GLY A N 467 C CA . GLY A 61 ? 0.0924 0.0907 0.0742 -0.0055 -0.0145 0.0170 61 GLY A CA 468 C C . GLY A 61 ? 0.0959 0.0779 0.0684 -0.0106 -0.0201 0.0075 61 GLY A C 469 O O . GLY A 61 ? 0.0951 0.1109 0.0823 -0.0107 -0.0075 0.0032 61 GLY A O 470 N N . GLY A 62 ? 0.0847 0.0821 0.0749 -0.0044 -0.0147 0.0127 62 GLY A N 471 C CA . GLY A 62 ? 0.0896 0.0820 0.0715 -0.0044 -0.0168 0.0030 62 GLY A CA 472 C C . GLY A 62 ? 0.0752 0.0756 0.0608 -0.0089 -0.0045 -0.0027 62 GLY A C 473 O O . GLY A 62 ? 0.0751 0.0852 0.0748 0.0015 -0.0058 0.0056 62 GLY A O 474 N N . ALA A 63 ? 0.0794 0.0682 0.0765 -0.0122 -0.0109 0.0066 63 ALA A N 475 C CA . ALA A 63 ? 0.0818 0.0748 0.0731 -0.0051 -0.0176 0.0104 63 ALA A CA 476 C C . ALA A 63 ? 0.0641 0.0681 0.0720 0.0010 -0.0078 0.0109 63 ALA A C 477 O O . ALA A 63 ? 0.0754 0.0852 0.0876 -0.0046 0.0003 0.0018 63 ALA A O 478 C CB . ALA A 63 ? 0.0806 0.0803 0.0807 -0.0109 -0.0090 0.0065 63 ALA A CB 479 N N . ASP A 64 ? 0.0703 0.0915 0.0701 -0.0040 -0.0047 0.0037 64 ASP A N 480 C CA . ASP A 64 ? 0.0880 0.0809 0.0681 -0.0027 -0.0082 -0.0001 64 ASP A CA 481 C C . ASP A 64 ? 0.0535 0.0928 0.0853 -0.0014 -0.0179 -0.0004 64 ASP A C 482 O O . ASP A 64 ? 0.0787 0.0871 0.0787 -0.0072 -0.0114 -0.0033 64 ASP A O 483 C CB . ASP A 64 ? 0.0885 0.0899 0.0737 -0.0078 -0.0193 0.0071 64 ASP A CB 484 C CG . ASP A 64 ? 0.0804 0.0819 0.0867 -0.0066 -0.0265 0.0075 64 ASP A CG 485 O OD1 . ASP A 64 ? 0.0802 0.0758 0.0771 -0.0015 -0.0154 0.0109 64 ASP A OD1 486 O OD2 . ASP A 64 ? 0.0945 0.0863 0.0707 0.0007 -0.0153 0.0063 64 ASP A OD2 487 N N . GLY A 65 ? 0.0734 0.0868 0.0711 -0.0072 -0.0045 -0.0051 65 GLY A N 488 C CA . GLY A 65 ? 0.0723 0.0887 0.0847 -0.0012 -0.0097 -0.0072 65 GLY A CA 489 C C . GLY A 65 ? 0.0689 0.0694 0.0857 -0.0036 -0.0106 -0.0056 65 GLY A C 490 O O . GLY A 65 ? 0.0762 0.0736 0.0890 -0.0009 -0.0133 -0.0037 65 GLY A O 491 N N . SER A 66 ? 0.0742 0.0652 0.0960 -0.0057 -0.0092 -0.0001 66 SER A N 492 C CA . SER A 66 ? 0.0646 0.0632 0.1006 -0.0045 -0.0218 0.0135 66 SER A CA 493 C C . SER A 66 ? 0.0738 0.0734 0.0852 -0.0039 -0.0167 0.0060 66 SER A C 494 O O . SER A 66 ? 0.0852 0.0790 0.0943 -0.0085 -0.0099 0.0060 66 SER A O 495 C CB . SER A 66 ? 0.0819 0.0725 0.0822 -0.0004 -0.0138 -0.0009 66 SER A CB 496 O OG . SER A 66 ? 0.0758 0.0704 0.0891 -0.0034 -0.0217 0.0028 66 SER A OG 497 N N . MET A 67 ? 0.0751 0.0916 0.0795 0.0035 -0.0084 0.0048 67 MET A N 498 C CA . MET A 67 ? 0.0831 0.0821 0.0875 0.0078 -0.0051 0.0077 67 MET A CA 499 C C . MET A 67 ? 0.0911 0.0877 0.0893 0.0103 -0.0146 0.0063 67 MET A C 500 O O . MET A 67 ? 0.1032 0.0860 0.1004 0.0039 0.0040 0.0107 67 MET A O 501 C CB . MET A 67 ? 0.1169 0.0856 0.0817 0.0043 -0.0252 0.0093 67 MET A CB 502 C CG . MET A 67 ? 0.1076 0.0958 0.0938 0.0013 -0.0128 -0.0049 67 MET A CG 503 S SD . MET A 67 ? 0.1153 0.1016 0.1744 -0.0007 0.0229 -0.0156 67 MET A SD 504 C CE . MET A 67 ? 0.1121 0.1099 0.1006 -0.0050 -0.0084 -0.0168 67 MET A CE 505 N N . LEU A 68 ? 0.0715 0.0731 0.0828 -0.0039 -0.0161 0.0064 68 LEU A N 506 C CA . LEU A 68 ? 0.0906 0.0693 0.0895 -0.0001 -0.0262 0.0080 68 LEU A CA 507 C C . LEU A 68 ? 0.0876 0.0710 0.0867 -0.0007 -0.0192 -0.0030 68 LEU A C 508 O O . LEU A 68 ? 0.0876 0.0947 0.1099 -0.0161 -0.0196 0.0085 68 LEU A O 509 C CB . LEU A 68 ? 0.0885 0.0681 0.0844 0.0001 -0.0118 0.0083 68 LEU A CB 510 C CG . LEU A 68 ? 0.1010 0.2253 0.1129 0.0663 -0.0299 -0.0170 68 LEU A CG 511 C CD1 . LEU A 68 ? 0.1058 0.1455 0.1031 0.0368 -0.0264 -0.0024 68 LEU A CD1 512 C CD2 . LEU A 68 ? 0.1244 0.2457 0.1148 0.0492 -0.0499 -0.0614 68 LEU A CD2 513 N N . LEU A 69 ? 0.0817 0.0780 0.0939 -0.0037 -0.0241 0.0023 69 LEU A N 514 C CA . LEU A 69 ? 0.0812 0.0800 0.0896 -0.0012 -0.0174 -0.0083 69 LEU A CA 515 C C . LEU A 69 ? 0.0784 0.0846 0.0854 0.0020 -0.0215 -0.0024 69 LEU A C 516 O O . LEU A 69 ? 0.0889 0.0968 0.1042 0.0034 -0.0301 -0.0126 69 LEU A O 517 C CB . LEU A 69 ? 0.0705 0.0973 0.0981 -0.0030 -0.0193 0.0085 69 LEU A CB 518 C CG . LEU A 69 ? 0.0777 0.1117 0.0914 -0.0043 -0.0168 -0.0021 69 LEU A CG 519 C CD1 . LEU A 69 ? 0.1175 0.1464 0.0851 0.0035 -0.0008 0.0098 69 LEU A CD1 520 C CD2 . LEU A 69 ? 0.0978 0.1355 0.1197 -0.0150 0.0010 -0.0351 69 LEU A CD2 521 N N . PHE A 70 ? 0.0754 0.0900 0.0876 -0.0006 -0.0165 0.0008 70 PHE A N 522 C CA . PHE A 70 ? 0.0846 0.0876 0.0879 0.0094 -0.0173 0.0075 70 PHE A CA 523 C C . PHE A 70 ? 0.0754 0.0785 0.0914 0.0005 -0.0140 0.0021 70 PHE A C 524 O O . PHE A 70 ? 0.0867 0.0861 0.0942 -0.0047 -0.0145 0.0057 70 PHE A O 525 C CB . PHE A 70 ? 0.0895 0.0898 0.0956 0.0088 -0.0161 0.0064 70 PHE A CB 526 C CG . PHE A 70 ? 0.1022 0.0614 0.0920 -0.0042 -0.0252 0.0038 70 PHE A CG 527 C CD1 . PHE A 70 ? 0.0851 0.0834 0.1076 0.0066 -0.0273 0.0150 70 PHE A CD1 528 C CD2 . PHE A 70 ? 0.0870 0.1003 0.0980 -0.0074 -0.0257 0.0071 70 PHE A CD2 529 C CE1 . PHE A 70 ? 0.0993 0.1068 0.1083 -0.0110 -0.0385 0.0259 70 PHE A CE1 530 C CE2 . PHE A 70 ? 0.0987 0.1182 0.1074 -0.0192 -0.0237 0.0166 70 PHE A CE2 531 C CZ . PHE A 70 ? 0.1134 0.1124 0.0943 -0.0122 -0.0280 0.0068 70 PHE A CZ 532 N N . PRO A 71 ? 0.0779 0.0863 0.0935 -0.0014 -0.0170 0.0075 71 PRO A N 533 C CA . PRO A 71 ? 0.0888 0.0957 0.0918 0.0041 -0.0316 0.0064 71 PRO A CA 534 C C . PRO A 71 ? 0.0904 0.0851 0.0980 -0.0077 -0.0187 0.0141 71 PRO A C 535 O O . PRO A 71 ? 0.0933 0.0893 0.1086 -0.0084 -0.0225 0.0090 71 PRO A O 536 C CB . PRO A 71 ? 0.1154 0.1074 0.1154 0.0199 -0.0311 0.0160 71 PRO A CB 537 C CG . PRO A 71 ? 0.1397 0.0854 0.1092 0.0063 -0.0116 0.0106 71 PRO A CG 538 C CD . PRO A 71 ? 0.0942 0.0817 0.0966 -0.0065 -0.0216 0.0047 71 PRO A CD 539 N N . THR A 72 ? 0.0864 0.0894 0.0921 0.0035 -0.0236 0.0045 72 THR A N 540 C CA . THR A 72 ? 0.0846 0.1054 0.0893 0.0014 -0.0117 0.0174 72 THR A CA 541 C C . THR A 72 ? 0.0811 0.1034 0.0842 -0.0056 -0.0049 0.0007 72 THR A C 542 O O . THR A 72 ? 0.0878 0.1023 0.1023 -0.0048 0.0022 0.0096 72 THR A O 543 C CB . THR A 72 ? 0.0833 0.1015 0.1302 -0.0078 -0.0158 0.0239 72 THR A CB 544 O OG1 . THR A 72 ? 0.0769 0.1135 0.1193 -0.0105 -0.0226 0.0035 72 THR A OG1 545 C CG2 . THR A 72 ? 0.0869 0.1045 0.2006 -0.0080 -0.0117 0.0210 72 THR A CG2 546 N N . VAL A 73 ? 0.0723 0.0941 0.0927 -0.0031 -0.0106 -0.0055 73 VAL A N 547 C CA . VAL A 73 ? 0.0674 0.0913 0.0954 0.0029 -0.0215 0.0027 73 VAL A CA 548 C C . VAL A 73 ? 0.0703 0.0830 0.0957 -0.0059 -0.0119 0.0098 73 VAL A C 549 O O . VAL A 73 ? 0.0725 0.1097 0.0935 -0.0002 -0.0042 0.0011 73 VAL A O 550 C CB . VAL A 73 ? 0.0745 0.1018 0.1135 -0.0050 -0.0313 0.0116 73 VAL A CB 551 C CG1 . VAL A 73 ? 0.0953 0.1053 0.1175 0.0189 -0.0178 0.0161 73 VAL A CG1 552 C CG2 . VAL A 73 ? 0.1009 0.1374 0.0977 -0.0098 -0.0392 0.0008 73 VAL A CG2 553 N N . GLU A 74 ? 0.0771 0.0849 0.0876 -0.0025 -0.0129 -0.0002 74 GLU A N 554 C CA . GLU A 74 ? 0.0636 0.0847 0.0837 -0.0007 -0.0138 -0.0033 74 GLU A CA 555 C C . GLU A 74 ? 0.0813 0.0761 0.0894 -0.0013 -0.0183 -0.0011 74 GLU A C 556 O O . GLU A 74 ? 0.0884 0.0866 0.0902 -0.0094 -0.0161 -0.0041 74 GLU A O 557 C CB . GLU A 74 ? 0.0829 0.0780 0.0945 -0.0061 -0.0151 0.0050 74 GLU A CB 558 C CG . GLU A 74 ? 0.0818 0.0884 0.0949 0.0006 -0.0097 0.0076 74 GLU A CG 559 C CD . GLU A 74 ? 0.0955 0.0712 0.0839 0.0013 -0.0159 -0.0016 74 GLU A CD 560 O OE1 . GLU A 74 ? 0.0825 0.0906 0.0891 -0.0046 -0.0106 -0.0114 74 GLU A OE1 561 O OE2 . GLU A 74 ? 0.0894 0.0921 0.0803 -0.0021 -0.0100 -0.0080 74 GLU A OE2 562 N N . PRO A 75 ? 0.0828 0.0864 0.0944 0.0014 -0.0184 0.0021 75 PRO A N 563 C CA . PRO A 75 ? 0.0955 0.0767 0.1063 -0.0014 -0.0275 0.0071 75 PRO A CA 564 C C . PRO A 75 ? 0.1152 0.0878 0.0983 0.0014 -0.0244 0.0178 75 PRO A C 565 O O . PRO A 75 ? 0.1108 0.1613 0.1084 0.0119 -0.0194 0.0252 75 PRO A O 566 C CB . PRO A 75 ? 0.1042 0.0826 0.1314 0.0014 -0.0301 0.0061 75 PRO A CB 567 C CG . PRO A 75 ? 0.0895 0.0845 0.1236 -0.0014 -0.0320 -0.0096 75 PRO A CG 568 C CD . PRO A 75 ? 0.0912 0.0764 0.1123 0.0006 -0.0164 -0.0071 75 PRO A CD 569 N N . ASN A 76 ? 0.1012 0.1217 0.0881 -0.0114 -0.0085 0.0167 76 ASN A N 570 C CA . ASN A 76 ? 0.1103 0.1154 0.1240 -0.0190 0.0032 0.0212 76 ASN A CA 571 C C . ASN A 76 ? 0.0946 0.1280 0.0978 -0.0023 0.0049 0.0290 76 ASN A C 572 O O . ASN A 76 ? 0.1183 0.1511 0.1482 0.0169 0.0397 0.0325 76 ASN A O 573 C CB . ASN A 76 ? 0.1143 0.1548 0.1220 -0.0199 -0.0032 0.0064 76 ASN A CB 574 C CG A ASN A 76 ? 0.1352 0.1416 0.1640 -0.0346 -0.0380 -0.0069 76 ASN A CG 575 C CG B ASN A 76 ? 0.1922 0.2448 0.1691 -0.1303 0.0159 0.0169 76 ASN A CG 576 O OD1 A ASN A 76 ? 0.1864 0.1727 0.1591 -0.0315 -0.0429 -0.0144 76 ASN A OD1 577 O OD1 B ASN A 76 ? 0.2332 0.2579 0.1551 -0.0961 0.0488 0.0294 76 ASN A OD1 578 N ND2 A ASN A 76 ? 0.1398 0.0917 0.1397 -0.0203 -0.0018 -0.0232 76 ASN A ND2 579 N ND2 B ASN A 76 ? 0.1811 0.3805 0.1536 -0.0868 0.0663 -0.0447 76 ASN A ND2 580 N N . PHE A 77 ? 0.0909 0.1039 0.0948 0.0008 -0.0006 0.0103 77 PHE A N 581 C CA . PHE A 77 ? 0.0879 0.1038 0.0977 0.0062 -0.0078 0.0032 77 PHE A CA 582 C C . PHE A 77 ? 0.0765 0.1039 0.0997 0.0023 0.0095 0.0081 77 PHE A C 583 O O . PHE A 77 ? 0.0925 0.1107 0.0966 0.0070 -0.0109 0.0134 77 PHE A O 584 C CB . PHE A 77 ? 0.0989 0.0815 0.0906 0.0146 -0.0142 0.0004 77 PHE A CB 585 C CG . PHE A 77 ? 0.1141 0.0863 0.0922 0.0072 -0.0091 -0.0008 77 PHE A CG 586 C CD1 . PHE A 77 ? 0.1215 0.1209 0.1070 -0.0078 -0.0300 -0.0008 77 PHE A CD1 587 C CD2 . PHE A 77 ? 0.1252 0.0938 0.1086 0.0183 0.0124 0.0085 77 PHE A CD2 588 C CE1 . PHE A 77 ? 0.1592 0.1196 0.1102 -0.0154 -0.0365 -0.0033 77 PHE A CE1 589 C CE2 . PHE A 77 ? 0.1526 0.0807 0.1035 0.0290 0.0120 0.0018 77 PHE A CE2 590 C CZ . PHE A 77 ? 0.1910 0.0798 0.1109 0.0149 -0.0158 0.0026 77 PHE A CZ 591 N N . SER A 78 ? 0.0941 0.1185 0.0963 0.0006 0.0063 0.0034 78 SER A N 592 C CA . SER A 78 ? 0.1048 0.1552 0.0897 0.0235 0.0009 0.0053 78 SER A CA 593 C C . SER A 78 ? 0.1220 0.1095 0.0739 0.0084 -0.0119 -0.0106 78 SER A C 594 O O . SER A 78 ? 0.1202 0.1302 0.0828 0.0247 -0.0110 0.0063 78 SER A O 595 C CB . SER A 78 ? 0.1569 0.2129 0.1248 0.0615 -0.0104 -0.0425 78 SER A CB 596 O OG A SER A 78 ? 0.1419 0.1849 0.1309 0.0442 0.0272 -0.0507 78 SER A OG 597 O OG B SER A 78 ? 0.1428 0.4940 0.3824 0.1004 -0.0255 -0.2258 78 SER A OG 598 N N . ALA A 79 ? 0.1096 0.0899 0.0863 0.0117 -0.0142 -0.0041 79 ALA A N 599 C CA . ALA A 79 ? 0.1157 0.0850 0.1027 0.0131 -0.0190 -0.0004 79 ALA A CA 600 C C . ALA A 79 ? 0.1079 0.0867 0.0955 0.0026 -0.0209 -0.0089 79 ALA A C 601 O O . ALA A 79 ? 0.1139 0.1025 0.1393 0.0102 -0.0345 -0.0190 79 ALA A O 602 C CB . ALA A 79 ? 0.1208 0.0905 0.1131 0.0092 -0.0117 -0.0014 79 ALA A CB 603 N N . ASN A 80 ? 0.0953 0.0861 0.0880 0.0109 -0.0184 -0.0019 80 ASN A N 604 C CA . ASN A 80 ? 0.0807 0.0818 0.0983 0.0024 -0.0141 -0.0063 80 ASN A CA 605 C C . ASN A 80 ? 0.1025 0.0878 0.1024 0.0238 -0.0049 -0.0027 80 ASN A C 606 O O . ASN A 80 ? 0.1111 0.0939 0.0939 0.0101 -0.0106 0.0117 80 ASN A O 607 C CB . ASN A 80 ? 0.0928 0.0728 0.0946 0.0077 -0.0115 -0.0033 80 ASN A CB 608 C CG . ASN A 80 ? 0.0798 0.0838 0.1023 0.0015 -0.0169 0.0014 80 ASN A CG 609 O OD1 . ASN A 80 ? 0.0859 0.1072 0.1152 -0.0045 -0.0243 0.0059 80 ASN A OD1 610 N ND2 . ASN A 80 ? 0.0735 0.0802 0.0912 -0.0043 -0.0143 -0.0004 80 ASN A ND2 611 N N . ASN A 81 ? 0.1105 0.0936 0.1099 0.0204 0.0018 0.0112 81 ASN A N 612 C CA . ASN A 81 ? 0.1211 0.1019 0.1005 0.0174 -0.0023 0.0011 81 ASN A CA 613 C C . ASN A 81 ? 0.1267 0.1006 0.0778 0.0111 -0.0057 0.0099 81 ASN A C 614 O O . ASN A 81 ? 0.1377 0.1474 0.1179 -0.0033 -0.0424 0.0010 81 ASN A O 615 C CB . ASN A 81 ? 0.1600 0.1386 0.1022 0.0544 0.0025 0.0019 81 ASN A CB 616 C CG . ASN A 81 ? 0.1502 0.1922 0.1283 0.0468 0.0195 0.0202 81 ASN A CG 617 O OD1 . ASN A 81 ? 0.1784 0.2018 0.1779 -0.0026 0.0514 0.0166 81 ASN A OD1 618 N ND2 . ASN A 81 ? 0.1436 0.2706 0.1381 -0.0032 0.0338 -0.0048 81 ASN A ND2 619 N N . GLY A 82 ? 0.1193 0.1089 0.1058 0.0140 0.0044 0.0201 82 GLY A N 620 C CA . GLY A 82 ? 0.1273 0.1151 0.1062 0.0282 0.0038 0.0330 82 GLY A CA 621 C C . GLY A 82 ? 0.1112 0.0717 0.1082 0.0068 -0.0173 0.0106 82 GLY A C 622 O O . GLY A 82 ? 0.1187 0.1076 0.1174 0.0307 -0.0073 0.0219 82 GLY A O 623 N N . ILE A 83 ? 0.0930 0.1001 0.0941 0.0192 -0.0158 0.0046 83 ILE A N 624 C CA . ILE A 83 ? 0.0897 0.0893 0.1084 0.0118 -0.0049 -0.0025 83 ILE A CA 625 C C . ILE A 83 ? 0.0871 0.0921 0.0965 0.0063 -0.0149 0.0099 83 ILE A C 626 O O . ILE A 83 ? 0.0923 0.0938 0.1059 0.0140 -0.0018 0.0011 83 ILE A O 627 C CB . ILE A 83 ? 0.1512 0.0823 0.1016 0.0096 0.0040 -0.0047 83 ILE A CB 628 C CG1 A ILE A 83 ? 0.1639 0.2292 0.1185 -0.0536 -0.0107 0.0288 83 ILE A CG1 629 C CG1 B ILE A 83 ? 0.0670 0.0969 0.0832 0.0108 0.0083 0.0135 83 ILE A CG1 630 C CG2 A ILE A 83 ? 0.1699 0.1002 0.2159 0.0001 -0.0731 0.0548 83 ILE A CG2 631 C CG2 B ILE A 83 ? 0.1428 0.0693 0.1006 0.0400 -0.0167 0.0136 83 ILE A CG2 632 C CD1 A ILE A 83 ? 0.2921 0.3085 0.1880 -0.2078 -0.0116 0.0355 83 ILE A CD1 633 C CD1 B ILE A 83 ? 0.0594 0.1996 0.2074 0.0387 -0.0051 0.0845 83 ILE A CD1 634 N N . ASP A 84 ? 0.0891 0.0948 0.1005 0.0067 0.0000 -0.0090 84 ASP A N 635 C CA . ASP A 84 ? 0.1129 0.0922 0.1198 -0.0076 0.0041 -0.0062 84 ASP A CA 636 C C . ASP A 84 ? 0.1136 0.0876 0.1083 -0.0095 0.0087 -0.0060 84 ASP A C 637 O O . ASP A 84 ? 0.1344 0.0801 0.1197 -0.0148 0.0226 -0.0078 84 ASP A O 638 C CB . ASP A 84 ? 0.1197 0.1135 0.1535 -0.0101 0.0272 -0.0076 84 ASP A CB 639 C CG . ASP A 84 ? 0.1552 0.1164 0.1580 -0.0024 0.0387 -0.0009 84 ASP A CG 640 O OD1 . ASP A 84 ? 0.1731 0.2595 0.1796 -0.0385 0.0632 -0.0151 84 ASP A OD1 641 O OD2 . ASP A 84 ? 0.1804 0.1276 0.1381 -0.0181 0.0334 -0.0040 84 ASP A OD2 642 N N . ASP A 85 ? 0.1509 0.1031 0.0951 0.0342 0.0170 -0.0010 85 ASP A N 643 C CA . ASP A 85 ? 0.1958 0.1210 0.0976 0.0542 0.0323 0.0337 85 ASP A CA 644 C C . ASP A 85 ? 0.1462 0.0738 0.0989 0.0333 0.0018 0.0130 85 ASP A C 645 O O . ASP A 85 ? 0.1434 0.0853 0.0931 0.0215 0.0067 0.0100 85 ASP A O 646 C CB . ASP A 85 ? 0.3009 0.1887 0.0916 0.1277 0.0081 0.0214 85 ASP A CB 647 C CG . ASP A 85 ? 0.5642 0.2428 0.1141 0.1169 0.1163 0.0450 85 ASP A CG 648 O OD1 . ASP A 85 ? 0.4716 0.2981 0.2505 0.1256 0.2099 0.1456 85 ASP A OD1 649 O OD2 . ASP A 85 ? 0.9994 0.5858 0.0918 0.0490 0.0974 0.0184 85 ASP A OD2 650 N N . SER A 86 ? 0.1462 0.0770 0.0842 0.0281 -0.0083 0.0034 86 SER A N 651 C CA . SER A 86 ? 0.1154 0.0915 0.0893 0.0184 -0.0209 -0.0047 86 SER A CA 652 C C . SER A 86 ? 0.0859 0.0791 0.0880 0.0117 -0.0136 0.0002 86 SER A C 653 O O . SER A 86 ? 0.0900 0.0899 0.1000 0.0093 -0.0089 -0.0049 86 SER A O 654 C CB . SER A 86 ? 0.1024 0.1081 0.1116 0.0075 -0.0329 -0.0100 86 SER A CB 655 O OG . SER A 86 ? 0.1063 0.0921 0.1240 0.0071 -0.0193 -0.0034 86 SER A OG 656 N N . VAL A 87 ? 0.0962 0.0822 0.0790 0.0140 -0.0132 0.0000 87 VAL A N 657 C CA . VAL A 87 ? 0.0989 0.0825 0.0792 0.0062 -0.0115 0.0103 87 VAL A CA 658 C C . VAL A 87 ? 0.0880 0.0856 0.0887 0.0052 -0.0130 0.0112 87 VAL A C 659 O O . VAL A 87 ? 0.1115 0.0716 0.0904 0.0025 -0.0072 0.0065 87 VAL A O 660 C CB . VAL A 87 ? 0.0968 0.0814 0.0953 0.0007 -0.0186 0.0127 87 VAL A CB 661 C CG1 . VAL A 87 ? 0.1160 0.0949 0.1099 -0.0098 -0.0289 0.0087 87 VAL A CG1 662 C CG2 . VAL A 87 ? 0.1078 0.0768 0.1245 0.0021 -0.0135 0.0098 87 VAL A CG2 663 N N . ASN A 88 ? 0.0930 0.0787 0.0929 0.0042 -0.0025 0.0056 88 ASN A N 664 C CA . ASN A 88 ? 0.0953 0.0850 0.1008 -0.0045 -0.0091 0.0147 88 ASN A CA 665 C C . ASN A 88 ? 0.1076 0.0753 0.0771 -0.0080 -0.0020 0.0120 88 ASN A C 666 O O . ASN A 88 ? 0.1105 0.0747 0.1100 -0.0024 -0.0140 0.0068 88 ASN A O 667 C CB . ASN A 88 ? 0.1019 0.0975 0.1276 0.0053 -0.0004 0.0291 88 ASN A CB 668 C CG . ASN A 88 ? 0.0945 0.0897 0.1301 0.0080 0.0041 0.0188 88 ASN A CG 669 O OD1 . ASN A 88 ? 0.0981 0.1102 0.1337 0.0027 -0.0177 0.0108 88 ASN A OD1 670 N ND2 . ASN A 88 ? 0.1276 0.1210 0.1326 0.0205 0.0120 0.0291 88 ASN A ND2 671 N N . ASN A 89 ? 0.1018 0.0772 0.0858 -0.0009 -0.0032 0.0129 89 ASN A N 672 C CA . ASN A 89 ? 0.1100 0.0728 0.0930 0.0144 -0.0053 0.0107 89 ASN A CA 673 C C . ASN A 89 ? 0.1043 0.0818 0.0932 0.0100 -0.0025 0.0074 89 ASN A C 674 O O . ASN A 89 ? 0.1358 0.0936 0.0978 0.0281 0.0126 0.0182 89 ASN A O 675 C CB . ASN A 89 ? 0.1123 0.0646 0.0979 0.0026 -0.0041 0.0085 89 ASN A CB 676 C CG . ASN A 89 ? 0.1072 0.0803 0.0928 -0.0057 -0.0069 0.0053 89 ASN A CG 677 O OD1 . ASN A 89 ? 0.1331 0.0876 0.0956 -0.0197 -0.0104 0.0208 89 ASN A OD1 678 N ND2 . ASN A 89 ? 0.1618 0.1375 0.1143 -0.0592 -0.0358 0.0301 89 ASN A ND2 679 N N . LEU A 90 ? 0.0859 0.0752 0.0853 0.0040 -0.0040 0.0078 90 LEU A N 680 C CA . LEU A 90 ? 0.0875 0.0885 0.0959 -0.0074 -0.0038 -0.0011 90 LEU A CA 681 C C . LEU A 90 ? 0.0983 0.0710 0.0882 0.0115 -0.0045 0.0072 90 LEU A C 682 O O . LEU A 90 ? 0.1067 0.0784 0.0952 -0.0081 -0.0007 -0.0018 90 LEU A O 683 C CB . LEU A 90 ? 0.0890 0.0962 0.0759 -0.0033 0.0003 0.0048 90 LEU A CB 684 C CG . LEU A 90 ? 0.0843 0.0875 0.0814 -0.0010 -0.0052 0.0043 90 LEU A CG 685 C CD1 . LEU A 90 ? 0.1155 0.0808 0.1001 0.0052 -0.0037 0.0000 90 LEU A CD1 686 C CD2 . LEU A 90 ? 0.1128 0.0949 0.1308 0.0111 -0.0289 0.0154 90 LEU A CD2 687 N N . ILE A 91 ? 0.1030 0.0893 0.0870 -0.0087 -0.0108 -0.0007 91 ILE A N 688 C CA . ILE A 91 ? 0.1033 0.0936 0.0974 -0.0058 -0.0111 -0.0021 91 ILE A CA 689 C C . ILE A 91 ? 0.1107 0.0847 0.1071 -0.0182 -0.0104 -0.0041 91 ILE A C 690 O O . ILE A 91 ? 0.1295 0.0890 0.1075 -0.0178 -0.0145 -0.0094 91 ILE A O 691 C CB . ILE A 91 ? 0.0996 0.1038 0.0989 -0.0116 -0.0096 0.0062 91 ILE A CB 692 C CG1 . ILE A 91 ? 0.1042 0.1000 0.1383 -0.0088 -0.0110 0.0004 91 ILE A CG1 693 C CG2 . ILE A 91 ? 0.1117 0.1255 0.1356 -0.0212 -0.0026 -0.0262 91 ILE A CG2 694 C CD1 . ILE A 91 ? 0.1129 0.1039 0.1424 -0.0036 -0.0184 -0.0073 91 ILE A CD1 695 N N . PRO A 92 ? 0.1163 0.0834 0.1111 -0.0101 -0.0058 0.0015 92 PRO A N 696 C CA . PRO A 92 ? 0.1371 0.0944 0.1111 -0.0101 -0.0150 -0.0035 92 PRO A CA 697 C C . PRO A 92 ? 0.1336 0.0760 0.1074 -0.0002 -0.0175 -0.0041 92 PRO A C 698 O O . PRO A 92 ? 0.1642 0.0831 0.1181 -0.0078 -0.0027 -0.0095 92 PRO A O 699 C CB . PRO A 92 ? 0.1682 0.0897 0.1498 -0.0022 -0.0003 0.0291 92 PRO A CB 700 C CG . PRO A 92 ? 0.1813 0.1289 0.1305 -0.0002 0.0139 0.0307 92 PRO A CG 701 C CD . PRO A 92 ? 0.1474 0.1175 0.1090 -0.0017 -0.0025 0.0104 92 PRO A CD 702 N N . PHE A 93 ? 0.1307 0.0953 0.1032 -0.0087 -0.0002 -0.0097 93 PHE A N 703 C CA . PHE A 93 ? 0.1288 0.0801 0.1025 0.0000 0.0034 -0.0027 93 PHE A CA 704 C C . PHE A 93 ? 0.1244 0.0896 0.1053 0.0017 0.0007 -0.0081 93 PHE A C 705 O O . PHE A 93 ? 0.1431 0.1080 0.1023 -0.0013 0.0017 -0.0210 93 PHE A O 706 C CB . PHE A 93 ? 0.1142 0.0716 0.1173 0.0047 -0.0044 -0.0029 93 PHE A CB 707 C CG . PHE A 93 ? 0.1115 0.0844 0.1200 0.0072 -0.0047 0.0026 93 PHE A CG 708 C CD1 . PHE A 93 ? 0.1117 0.0862 0.1107 0.0179 -0.0120 -0.0033 93 PHE A CD1 709 C CD2 . PHE A 93 ? 0.1218 0.1067 0.1331 0.0263 -0.0103 -0.0127 93 PHE A CD2 710 C CE1 . PHE A 93 ? 0.1186 0.1158 0.1139 0.0255 -0.0147 0.0073 93 PHE A CE1 711 C CE2 . PHE A 93 ? 0.1346 0.1551 0.1395 0.0535 -0.0078 0.0068 93 PHE A CE2 712 C CZ . PHE A 93 ? 0.1455 0.1515 0.1341 0.0555 -0.0143 0.0089 93 PHE A CZ 713 N N . MET A 94 ? 0.1289 0.0872 0.1000 -0.0057 -0.0082 0.0028 94 MET A N 714 C CA . MET A 94 ? 0.1363 0.0986 0.0937 -0.0118 -0.0121 0.0061 94 MET A CA 715 C C . MET A 94 ? 0.1393 0.0926 0.1058 -0.0071 -0.0144 0.0035 94 MET A C 716 O O . MET A 94 ? 0.1674 0.1398 0.0991 -0.0307 -0.0136 -0.0119 94 MET A O 717 C CB . MET A 94 ? 0.1296 0.0967 0.1159 -0.0168 -0.0286 -0.0015 94 MET A CB 718 C CG . MET A 94 ? 0.1302 0.1173 0.1311 -0.0174 -0.0380 0.0150 94 MET A CG 719 S SD . MET A 94 ? 0.1443 0.1075 0.1365 -0.0166 -0.0357 0.0022 94 MET A SD 720 C CE . MET A 94 ? 0.1603 0.1647 0.1496 -0.0477 0.0048 -0.0078 94 MET A CE 721 N N . GLN A 95 ? 0.1478 0.1027 0.1033 -0.0166 -0.0147 -0.0097 95 GLN A N 722 C CA . GLN A 95 ? 0.1646 0.0977 0.1311 -0.0299 -0.0251 -0.0098 95 GLN A CA 723 C C . GLN A 95 ? 0.1789 0.1018 0.1276 -0.0234 -0.0238 -0.0206 95 GLN A C 724 O O . GLN A 95 ? 0.2105 0.1422 0.1301 -0.0059 -0.0318 -0.0334 95 GLN A O 725 C CB . GLN A 95 ? 0.2110 0.1053 0.1322 -0.0349 0.0109 -0.0187 95 GLN A CB 726 C CG . GLN A 95 ? 0.1848 0.1330 0.1434 -0.0382 -0.0030 -0.0221 95 GLN A CG 727 C CD . GLN A 95 ? 0.1919 0.1641 0.2224 -0.0292 0.0289 0.0053 95 GLN A CD 728 O OE1 . GLN A 95 ? 0.1845 0.2341 0.3579 -0.0095 0.0241 0.0157 95 GLN A OE1 729 N NE2 . GLN A 95 ? 0.2234 0.1105 0.2715 0.0024 0.0855 0.0366 95 GLN A NE2 730 N N . LYS A 96 ? 0.1922 0.0924 0.1294 -0.0114 -0.0202 -0.0021 96 LYS A N 731 C CA . LYS A 96 ? 0.2059 0.0779 0.1440 -0.0137 -0.0272 -0.0162 96 LYS A CA 732 C C . LYS A 96 ? 0.1759 0.1123 0.1508 -0.0068 -0.0217 -0.0413 96 LYS A C 733 O O . LYS A 96 ? 0.2137 0.1035 0.1704 0.0035 -0.0163 -0.0510 96 LYS A O 734 C CB . LYS A 96 ? 0.2143 0.0936 0.1782 -0.0098 -0.0582 -0.0093 96 LYS A CB 735 C CG . LYS A 96 ? 0.2777 0.1917 0.1813 0.0662 -0.0863 -0.0517 96 LYS A CG 736 C CD . LYS A 96 ? 0.3532 0.0873 0.2099 0.0243 -0.0952 0.0175 96 LYS A CD 737 C CE . LYS A 96 ? 0.3529 0.1315 0.3063 0.0418 -0.1624 -0.0260 96 LYS A CE 738 N NZ . LYS A 96 ? 0.4060 0.0988 0.3327 0.0188 -0.2376 -0.0208 96 LYS A NZ 739 N N . HIS A 97 ? 0.1710 0.0953 0.1055 0.0003 -0.0125 -0.0155 97 HIS A N 740 C CA . HIS A 97 ? 0.1542 0.1155 0.0997 0.0051 -0.0091 -0.0213 97 HIS A CA 741 C C . HIS A 97 ? 0.1776 0.1075 0.1062 -0.0126 -0.0129 -0.0125 97 HIS A C 742 O O . HIS A 97 ? 0.1667 0.0996 0.1238 -0.0072 -0.0215 -0.0161 97 HIS A O 743 C CB . HIS A 97 ? 0.1513 0.1034 0.1076 0.0023 -0.0061 -0.0200 97 HIS A CB 744 C CG . HIS A 97 ? 0.1338 0.1056 0.1149 0.0056 -0.0102 -0.0226 97 HIS A CG 745 N ND1 . HIS A 97 ? 0.1393 0.1209 0.1336 0.0093 0.0099 -0.0081 97 HIS A ND1 746 C CD2 . HIS A 97 ? 0.1488 0.1263 0.1072 0.0200 -0.0037 -0.0207 97 HIS A CD2 747 C CE1 . HIS A 97 ? 0.1416 0.1265 0.1292 0.0176 -0.0081 -0.0115 97 HIS A CE1 748 N NE2 . HIS A 97 ? 0.1374 0.1143 0.1303 0.0090 -0.0065 -0.0110 97 HIS A NE2 749 N N . ASN A 98 ? 0.2182 0.1010 0.1105 -0.0110 -0.0331 -0.0185 98 ASN A N 750 C CA . ASN A 98 ? 0.2163 0.1143 0.1211 -0.0154 -0.0374 -0.0095 98 ASN A CA 751 C C . ASN A 98 ? 0.2266 0.1322 0.1109 -0.0254 -0.0420 -0.0146 98 ASN A C 752 O O . ASN A 98 ? 0.2326 0.1463 0.1254 -0.0130 -0.0480 -0.0149 98 ASN A O 753 C CB . ASN A 98 ? 0.2430 0.1550 0.1546 -0.0517 -0.0403 -0.0213 98 ASN A CB 754 C CG . ASN A 98 ? 0.3210 0.1796 0.2506 -0.0252 -0.0956 -0.0869 98 ASN A CG 755 O OD1 . ASN A 98 ? 0.3377 0.1604 0.2834 0.0102 -0.0991 -0.1137 98 ASN A OD1 756 N ND2 . ASN A 98 ? 0.3642 0.1636 0.3037 -0.0825 -0.0794 -0.0627 98 ASN A ND2 757 N N . THR A 99 ? 0.2083 0.1065 0.1096 0.0128 -0.0294 -0.0209 99 THR A N 758 C CA . THR A 99 ? 0.2025 0.1179 0.1010 0.0130 -0.0084 -0.0354 99 THR A CA 759 C C . THR A 99 ? 0.1950 0.1224 0.0866 0.0112 -0.0033 -0.0199 99 THR A C 760 O O . THR A 99 ? 0.2299 0.1205 0.0979 0.0107 0.0002 -0.0185 99 THR A O 761 C CB . THR A 99 ? 0.2263 0.1430 0.1349 0.0360 -0.0085 -0.0387 99 THR A CB 762 O OG1 . THR A 99 ? 0.2236 0.1553 0.1508 0.0491 -0.0140 -0.0220 99 THR A OG1 763 C CG2 . THR A 99 ? 0.2851 0.1702 0.1991 0.0562 -0.0056 -0.1024 99 THR A CG2 764 N N . ILE A 100 ? 0.1581 0.1045 0.0922 0.0056 -0.0111 -0.0184 100 ILE A N 765 C CA . ILE A 100 ? 0.1258 0.0920 0.0884 0.0038 -0.0068 -0.0094 100 ILE A CA 766 C C . ILE A 100 ? 0.1169 0.1027 0.0792 0.0023 -0.0133 -0.0101 100 ILE A C 767 O O . ILE A 100 ? 0.1260 0.0971 0.0949 -0.0035 -0.0051 -0.0120 100 ILE A O 768 C CB . ILE A 100 ? 0.1135 0.0898 0.0909 0.0089 -0.0008 -0.0156 100 ILE A CB 769 C CG1 . ILE A 100 ? 0.1291 0.1149 0.1064 0.0232 -0.0042 -0.0286 100 ILE A CG1 770 C CG2 . ILE A 100 ? 0.1255 0.0844 0.1072 0.0073 0.0003 -0.0179 100 ILE A CG2 771 C CD1 . ILE A 100 ? 0.1508 0.1194 0.1154 0.0341 -0.0266 -0.0240 100 ILE A CD1 772 N N . SER A 101 ? 0.1073 0.1006 0.0715 -0.0017 -0.0063 -0.0141 101 SER A N 773 C CA . SER A 101 ? 0.1065 0.0818 0.0786 -0.0029 -0.0141 -0.0191 101 SER A CA 774 C C . SER A 101 ? 0.1000 0.0800 0.0798 -0.0054 -0.0076 -0.0112 101 SER A C 775 O O . SER A 101 ? 0.0903 0.0854 0.0851 -0.0060 -0.0162 -0.0135 101 SER A O 776 C CB . SER A 101 ? 0.1218 0.0914 0.0789 -0.0017 -0.0188 -0.0131 101 SER A CB 777 O OG . SER A 101 ? 0.1105 0.0923 0.0763 -0.0016 -0.0137 -0.0079 101 SER A OG 778 N N . ALA A 102 ? 0.0869 0.0953 0.0807 -0.0117 -0.0115 -0.0184 102 ALA A N 779 C CA . ALA A 102 ? 0.0809 0.0929 0.0711 -0.0084 -0.0118 0.0074 102 ALA A CA 780 C C . ALA A 102 ? 0.0745 0.0816 0.0791 -0.0026 -0.0084 -0.0027 102 ALA A C 781 O O . ALA A 102 ? 0.0803 0.0912 0.0733 -0.0073 -0.0107 -0.0010 102 ALA A O 782 C CB . ALA A 102 ? 0.0913 0.0859 0.0841 -0.0127 -0.0102 0.0047 102 ALA A CB 783 N N . ALA A 103 ? 0.0848 0.0742 0.0691 -0.0014 -0.0156 -0.0121 103 ALA A N 784 C CA . ALA A 103 ? 0.0744 0.0727 0.0824 -0.0027 -0.0019 0.0012 103 ALA A CA 785 C C . ALA A 103 ? 0.0767 0.0754 0.0704 -0.0063 -0.0036 0.0061 103 ALA A C 786 O O . ALA A 103 ? 0.0816 0.0830 0.0740 -0.0044 -0.0046 -0.0026 103 ALA A O 787 C CB . ALA A 103 ? 0.0959 0.0851 0.0846 0.0087 -0.0136 0.0050 103 ALA A CB 788 N N . ASP A 104 ? 0.0768 0.0877 0.0699 -0.0025 -0.0074 -0.0012 104 ASP A N 789 C CA . ASP A 104 ? 0.0843 0.0888 0.0720 0.0004 0.0004 0.0059 104 ASP A CA 790 C C . ASP A 104 ? 0.0756 0.0777 0.0672 -0.0086 -0.0074 -0.0019 104 ASP A C 791 O O . ASP A 104 ? 0.0784 0.0961 0.0772 -0.0013 -0.0091 0.0059 104 ASP A O 792 C CB . ASP A 104 ? 0.0794 0.0758 0.0798 0.0049 -0.0017 -0.0040 104 ASP A CB 793 C CG . ASP A 104 ? 0.0868 0.0893 0.0752 0.0016 -0.0025 -0.0047 104 ASP A CG 794 O OD1 . ASP A 104 ? 0.1035 0.0878 0.0760 -0.0049 -0.0047 0.0062 104 ASP A OD1 795 O OD2 . ASP A 104 ? 0.1072 0.0911 0.0891 0.0010 0.0029 -0.0045 104 ASP A OD2 796 N N . LEU A 105 ? 0.0824 0.0780 0.0728 -0.0010 -0.0111 -0.0019 105 LEU A N 797 C CA . LEU A 105 ? 0.0860 0.0741 0.0731 0.0010 -0.0063 0.0026 105 LEU A CA 798 C C . LEU A 105 ? 0.0820 0.0692 0.0748 -0.0032 -0.0037 0.0001 105 LEU A C 799 O O . LEU A 105 ? 0.0839 0.0779 0.0723 -0.0093 -0.0162 -0.0023 105 LEU A O 800 C CB . LEU A 105 ? 0.0847 0.0765 0.0852 -0.0005 -0.0084 0.0025 105 LEU A CB 801 C CG . LEU A 105 ? 0.0968 0.0814 0.0823 0.0000 0.0019 0.0001 105 LEU A CG 802 C CD1 . LEU A 105 ? 0.1241 0.0793 0.0829 0.0017 -0.0081 0.0094 105 LEU A CD1 803 C CD2 . LEU A 105 ? 0.1152 0.0783 0.0897 -0.0086 0.0019 -0.0073 105 LEU A CD2 804 N N . VAL A 106 ? 0.0698 0.0996 0.0652 -0.0023 -0.0091 -0.0073 106 VAL A N 805 C CA . VAL A 106 ? 0.0912 0.0538 0.0748 -0.0067 -0.0051 0.0026 106 VAL A CA 806 C C . VAL A 106 ? 0.0731 0.0979 0.0708 -0.0128 -0.0082 -0.0063 106 VAL A C 807 O O . VAL A 106 ? 0.0842 0.1029 0.0755 -0.0093 -0.0088 -0.0028 106 VAL A O 808 C CB . VAL A 106 ? 0.0813 0.0868 0.0905 0.0025 -0.0056 -0.0007 106 VAL A CB 809 C CG1 . VAL A 106 ? 0.0949 0.0853 0.0906 0.0093 -0.0023 -0.0092 106 VAL A CG1 810 C CG2 . VAL A 106 ? 0.0859 0.0897 0.0970 0.0009 0.0007 0.0025 106 VAL A CG2 811 N N . GLN A 107 ? 0.0839 0.0648 0.0756 -0.0046 -0.0023 0.0026 107 GLN A N 812 C CA . GLN A 107 ? 0.0799 0.0840 0.0678 -0.0053 -0.0124 0.0029 107 GLN A CA 813 C C . GLN A 107 ? 0.0858 0.0766 0.0639 -0.0029 0.0006 -0.0045 107 GLN A C 814 O O . GLN A 107 ? 0.0860 0.0733 0.0793 -0.0038 -0.0072 -0.0089 107 GLN A O 815 C CB . GLN A 107 ? 0.0971 0.0682 0.0819 -0.0067 -0.0002 0.0047 107 GLN A CB 816 C CG . GLN A 107 ? 0.1092 0.0613 0.0823 -0.0107 -0.0067 0.0050 107 GLN A CG 817 C CD . GLN A 107 ? 0.0869 0.0777 0.0839 0.0036 -0.0100 0.0073 107 GLN A CD 818 O OE1 . GLN A 107 ? 0.0904 0.1175 0.1176 0.0121 -0.0077 0.0050 107 GLN A OE1 819 N NE2 . GLN A 107 ? 0.0713 0.0690 0.0943 0.0066 -0.0042 -0.0228 107 GLN A NE2 820 N N . PHE A 108 ? 0.0851 0.0719 0.0690 -0.0018 -0.0074 0.0025 108 PHE A N 821 C CA . PHE A 108 ? 0.0967 0.0627 0.0724 0.0044 -0.0114 0.0061 108 PHE A CA 822 C C . PHE A 108 ? 0.0881 0.0812 0.0610 -0.0031 -0.0096 -0.0025 108 PHE A C 823 O O . PHE A 108 ? 0.0880 0.0768 0.0721 0.0047 -0.0174 -0.0012 108 PHE A O 824 C CB . PHE A 108 ? 0.1059 0.0825 0.0731 0.0077 -0.0136 -0.0051 108 PHE A CB 825 C CG . PHE A 108 ? 0.1013 0.0848 0.0694 0.0058 -0.0026 -0.0053 108 PHE A CG 826 C CD1 . PHE A 108 ? 0.0980 0.0869 0.0844 0.0015 -0.0012 0.0012 108 PHE A CD1 827 C CD2 . PHE A 108 ? 0.1010 0.0866 0.0699 0.0013 0.0017 0.0001 108 PHE A CD2 828 C CE1 . PHE A 108 ? 0.1119 0.0907 0.0832 0.0186 0.0000 -0.0137 108 PHE A CE1 829 C CE2 . PHE A 108 ? 0.1006 0.0991 0.0802 0.0065 0.0008 -0.0101 108 PHE A CE2 830 C CZ . PHE A 108 ? 0.1030 0.1025 0.0996 0.0318 0.0033 -0.0127 108 PHE A CZ 831 N N . ALA A 109 ? 0.0874 0.0803 0.0657 0.0032 -0.0153 0.0028 109 ALA A N 832 C CA . ALA A 109 ? 0.0898 0.0628 0.0797 -0.0051 -0.0159 0.0139 109 ALA A CA 833 C C . ALA A 109 ? 0.0679 0.0899 0.0688 0.0068 -0.0067 0.0000 109 ALA A C 834 O O . ALA A 109 ? 0.0876 0.0749 0.0782 0.0065 -0.0144 0.0029 109 ALA A O 835 C CB . ALA A 109 ? 0.0882 0.0940 0.0792 -0.0070 -0.0081 -0.0010 109 ALA A CB 836 N N . GLY A 110 ? 0.0804 0.0763 0.0756 0.0007 -0.0142 0.0015 110 GLY A N 837 C CA . GLY A 110 ? 0.0824 0.0757 0.0883 -0.0089 -0.0102 0.0016 110 GLY A CA 838 C C . GLY A 110 ? 0.0790 0.0661 0.0857 -0.0087 -0.0077 -0.0070 110 GLY A C 839 O O . GLY A 110 ? 0.0876 0.0814 0.0861 -0.0056 -0.0147 -0.0056 110 GLY A O 840 N N . ALA A 111 ? 0.0805 0.0711 0.0884 0.0035 -0.0032 -0.0007 111 ALA A N 841 C CA . ALA A 111 ? 0.0707 0.0764 0.0901 -0.0056 -0.0131 -0.0064 111 ALA A CA 842 C C . ALA A 111 ? 0.0825 0.0788 0.0732 -0.0040 -0.0062 -0.0075 111 ALA A C 843 O O . ALA A 111 ? 0.0779 0.0924 0.0793 -0.0060 -0.0140 0.0013 111 ALA A O 844 C CB . ALA A 111 ? 0.0969 0.0833 0.0843 -0.0026 -0.0038 0.0030 111 ALA A CB 845 N N . VAL A 112 ? 0.0763 0.0867 0.0734 0.0028 -0.0124 -0.0058 112 VAL A N 846 C CA . VAL A 112 ? 0.0695 0.0829 0.0832 0.0103 -0.0066 0.0029 112 VAL A CA 847 C C . VAL A 112 ? 0.0939 0.0766 0.0786 -0.0004 -0.0109 -0.0029 112 VAL A C 848 O O . VAL A 112 ? 0.0914 0.0906 0.0822 0.0060 -0.0186 -0.0008 112 VAL A O 849 C CB . VAL A 112 ? 0.1005 0.0886 0.0725 0.0096 -0.0182 -0.0083 112 VAL A CB 850 C CG1 . VAL A 112 ? 0.1065 0.0832 0.0999 0.0065 -0.0055 0.0002 112 VAL A CG1 851 C CG2 . VAL A 112 ? 0.0982 0.1091 0.0902 0.0103 -0.0040 -0.0040 112 VAL A CG2 852 N N . ALA A 113 ? 0.0848 0.0759 0.0744 -0.0014 -0.0116 -0.0022 113 ALA A N 853 C CA . ALA A 113 ? 0.0940 0.0689 0.0782 0.0028 -0.0113 0.0091 113 ALA A CA 854 C C . ALA A 113 ? 0.0747 0.0946 0.0730 0.0064 -0.0069 -0.0038 113 ALA A C 855 O O . ALA A 113 ? 0.0994 0.0950 0.0664 0.0014 -0.0119 -0.0026 113 ALA A O 856 C CB . ALA A 113 ? 0.0777 0.0992 0.0842 -0.0066 -0.0039 -0.0041 113 ALA A CB 857 N N . LEU A 114 ? 0.0841 0.0876 0.0824 -0.0013 -0.0132 0.0013 114 LEU A N 858 C CA . LEU A 114 ? 0.0969 0.0935 0.0698 -0.0001 -0.0194 -0.0063 114 LEU A CA 859 C C . LEU A 114 ? 0.0948 0.0782 0.0805 -0.0079 -0.0193 -0.0038 114 LEU A C 860 O O . LEU A 114 ? 0.1033 0.0919 0.0847 -0.0140 -0.0255 0.0023 114 LEU A O 861 C CB . LEU A 114 ? 0.1104 0.0954 0.0790 -0.0085 -0.0212 -0.0001 114 LEU A CB 862 C CG . LEU A 114 ? 0.1262 0.1060 0.1182 0.0037 -0.0253 -0.0081 114 LEU A CG 863 C CD1 . LEU A 114 ? 0.1668 0.1200 0.1565 0.0067 -0.0629 0.0087 114 LEU A CD1 864 C CD2 . LEU A 114 ? 0.1582 0.0962 0.1230 -0.0143 0.0011 -0.0158 114 LEU A CD2 865 N N . SER A 115 ? 0.0895 0.0867 0.0851 -0.0020 -0.0141 0.0050 115 SER A N 866 C CA . SER A 115 ? 0.0821 0.1010 0.0890 -0.0043 -0.0143 -0.0041 115 SER A CA 867 C C . SER A 115 ? 0.0802 0.0887 0.0898 0.0082 -0.0100 -0.0076 115 SER A C 868 O O . SER A 115 ? 0.0940 0.1122 0.1041 0.0095 -0.0159 0.0064 115 SER A O 869 C CB . SER A 115 ? 0.1062 0.1200 0.0909 0.0054 -0.0079 -0.0097 115 SER A CB 870 O OG . SER A 115 ? 0.0954 0.1214 0.1180 0.0055 -0.0056 -0.0338 115 SER A OG 871 N N . ASN A 116 ? 0.0916 0.0842 0.0867 -0.0018 -0.0134 -0.0034 116 ASN A N 872 C CA . ASN A 116 ? 0.0988 0.0786 0.0923 0.0002 -0.0214 0.0002 116 ASN A CA 873 C C . ASN A 116 ? 0.0825 0.0811 0.1021 0.0045 -0.0292 -0.0045 116 ASN A C 874 O O . ASN A 116 ? 0.1020 0.0902 0.0965 0.0121 -0.0272 0.0001 116 ASN A O 875 C CB . ASN A 116 ? 0.0871 0.0714 0.0987 -0.0015 -0.0108 -0.0013 116 ASN A CB 876 C CG . ASN A 116 ? 0.0939 0.0826 0.0900 -0.0016 -0.0212 -0.0026 116 ASN A CG 877 O OD1 . ASN A 116 ? 0.1043 0.0977 0.1133 0.0028 -0.0081 -0.0236 116 ASN A OD1 878 N ND2 . ASN A 116 ? 0.1032 0.0865 0.1034 -0.0004 -0.0138 -0.0078 116 ASN A ND2 879 N N . CYS A 117 ? 0.0874 0.0780 0.0982 -0.0038 -0.0166 0.0019 117 CYS A N 880 C CA . CYS A 117 ? 0.0871 0.0787 0.0909 -0.0038 -0.0114 0.0032 117 CYS A CA 881 C C . CYS A 117 ? 0.0788 0.0893 0.0833 0.0004 -0.0095 -0.0038 117 CYS A C 882 O O . CYS A 117 ? 0.0941 0.0946 0.0846 -0.0148 -0.0160 -0.0019 117 CYS A O 883 C CB . CYS A 117 ? 0.0896 0.0749 0.0839 -0.0060 -0.0116 0.0006 117 CYS A CB 884 S SG . CYS A 117 ? 0.0911 0.0924 0.0943 0.0070 -0.0175 -0.0062 117 CYS A SG 885 N N . PRO A 118 ? 0.0835 0.0904 0.0895 0.0048 -0.0110 -0.0003 118 PRO A N 886 C CA . PRO A 118 ? 0.0711 0.0866 0.1049 0.0068 -0.0162 -0.0073 118 PRO A CA 887 C C . PRO A 118 ? 0.0875 0.0896 0.0764 -0.0002 -0.0153 -0.0089 118 PRO A C 888 O O . PRO A 118 ? 0.0845 0.0910 0.0858 0.0022 -0.0052 0.0005 118 PRO A O 889 C CB . PRO A 118 ? 0.0890 0.0949 0.1021 0.0102 -0.0160 -0.0023 118 PRO A CB 890 C CG . PRO A 118 ? 0.0978 0.1112 0.1092 0.0034 -0.0272 0.0046 118 PRO A CG 891 C CD . PRO A 118 ? 0.0930 0.0806 0.0999 0.0058 -0.0114 0.0090 118 PRO A CD 892 N N . GLY A 119 ? 0.0722 0.0948 0.0972 -0.0022 -0.0052 -0.0110 119 GLY A N 893 C CA . GLY A 119 ? 0.0882 0.1137 0.0806 -0.0128 -0.0060 0.0001 119 GLY A CA 894 C C . GLY A 119 ? 0.0869 0.0969 0.0831 -0.0066 -0.0086 -0.0061 119 GLY A C 895 O O . GLY A 119 ? 0.0893 0.0946 0.1136 -0.0078 -0.0068 -0.0030 119 GLY A O 896 N N . ALA A 120 ? 0.0905 0.0945 0.0798 -0.0103 -0.0106 -0.0009 120 ALA A N 897 C CA . ALA A 120 ? 0.0780 0.0917 0.0904 0.0007 -0.0116 0.0015 120 ALA A CA 898 C C . ALA A 120 ? 0.0840 0.0909 0.0839 -0.0015 -0.0159 -0.0014 120 ALA A C 899 O O . ALA A 120 ? 0.1195 0.1062 0.0876 0.0310 -0.0074 -0.0041 120 ALA A O 900 C CB . ALA A 120 ? 0.1119 0.1278 0.1020 -0.0384 -0.0264 0.0156 120 ALA A CB 901 N N . PRO A 121 ? 0.0796 0.0845 0.0885 -0.0039 -0.0047 0.0001 121 PRO A N 902 C CA . PRO A 121 ? 0.0851 0.1013 0.0790 0.0023 -0.0016 -0.0074 121 PRO A CA 903 C C . PRO A 121 ? 0.0840 0.0928 0.0752 0.0001 -0.0065 0.0061 121 PRO A C 904 O O . PRO A 121 ? 0.0944 0.1128 0.0948 -0.0057 0.0089 -0.0122 121 PRO A O 905 C CB . PRO A 121 ? 0.1173 0.1021 0.0750 0.0024 -0.0094 -0.0068 121 PRO A CB 906 C CG . PRO A 121 ? 0.1079 0.1056 0.0931 0.0191 -0.0271 -0.0016 121 PRO A CG 907 C CD . PRO A 121 ? 0.0905 0.0900 0.0940 0.0032 -0.0106 -0.0042 121 PRO A CD 908 N N . ARG A 122 ? 0.0881 0.1007 0.0819 0.0046 0.0026 -0.0031 122 ARG A N 909 C CA . ARG A 122 ? 0.0849 0.1092 0.0804 0.0055 -0.0050 -0.0046 122 ARG A CA 910 C C . ARG A 122 ? 0.0860 0.0876 0.0919 0.0033 0.0021 -0.0039 122 ARG A C 911 O O . ARG A 122 ? 0.0852 0.1207 0.0907 -0.0022 0.0000 0.0072 122 ARG A O 912 C CB . ARG A 122 ? 0.0966 0.1120 0.0951 0.0176 -0.0060 -0.0070 122 ARG A CB 913 C CG . ARG A 122 ? 0.0928 0.1154 0.0950 0.0188 -0.0041 -0.0067 122 ARG A CG 914 C CD . ARG A 122 ? 0.1125 0.1421 0.1133 0.0149 0.0125 -0.0304 122 ARG A CD 915 N NE . ARG A 122 ? 0.0915 0.1353 0.1262 0.0100 0.0129 -0.0298 122 ARG A NE 916 C CZ . ARG A 122 ? 0.1317 0.1551 0.1486 -0.0031 0.0399 -0.0536 122 ARG A CZ 917 N NH1 . ARG A 122 ? 0.1362 0.2080 0.2271 -0.0238 0.0724 -0.0983 122 ARG A NH1 918 N NH2 . ARG A 122 ? 0.1377 0.1522 0.1721 0.0018 0.0284 -0.0600 122 ARG A NH2 919 N N . LEU A 123 ? 0.0811 0.0978 0.0868 -0.0003 -0.0037 0.0069 123 LEU A N 920 C CA . LEU A 123 ? 0.0940 0.0840 0.0822 -0.0057 -0.0136 -0.0002 123 LEU A CA 921 C C . LEU A 123 ? 0.0881 0.0957 0.0866 0.0127 -0.0074 -0.0135 123 LEU A C 922 O O . LEU A 123 ? 0.1130 0.0995 0.0877 0.0153 0.0018 -0.0075 123 LEU A O 923 C CB . LEU A 123 ? 0.0825 0.0966 0.0983 0.0013 -0.0073 -0.0050 123 LEU A CB 924 C CG . LEU A 123 ? 0.0892 0.1054 0.0967 0.0095 0.0009 -0.0029 123 LEU A CG 925 C CD1 . LEU A 123 ? 0.0855 0.1167 0.1607 0.0062 0.0144 -0.0037 123 LEU A CD1 926 C CD2 . LEU A 123 ? 0.0825 0.1236 0.0935 0.0071 -0.0028 -0.0108 123 LEU A CD2 927 N N . GLU A 124 ? 0.0863 0.0972 0.0830 -0.0044 -0.0159 -0.0046 124 GLU A N 928 C CA . GLU A 124 ? 0.0939 0.1080 0.0825 0.0060 -0.0026 -0.0126 124 GLU A CA 929 C C . GLU A 124 ? 0.0943 0.1021 0.0668 0.0069 -0.0098 -0.0135 124 GLU A C 930 O O . GLU A 124 ? 0.0918 0.1145 0.0911 -0.0071 -0.0013 -0.0192 124 GLU A O 931 C CB . GLU A 124 ? 0.0862 0.1163 0.0940 0.0082 0.0015 0.0012 124 GLU A CB 932 C CG . GLU A 124 ? 0.1022 0.1307 0.0874 -0.0011 -0.0054 0.0031 124 GLU A CG 933 C CD . GLU A 124 ? 0.1057 0.1392 0.1168 0.0029 -0.0101 0.0195 124 GLU A CD 934 O OE1 . GLU A 124 ? 0.1537 0.1839 0.1917 -0.0078 0.0436 0.0600 124 GLU A OE1 935 O OE2 . GLU A 124 ? 0.1273 0.1218 0.1050 -0.0037 -0.0049 0.0070 124 GLU A OE2 936 N N . PHE A 125 ? 0.0901 0.1214 0.0752 -0.0022 -0.0107 -0.0150 125 PHE A N 937 C CA . PHE A 125 ? 0.0871 0.0966 0.0745 0.0044 -0.0117 -0.0048 125 PHE A CA 938 C C . PHE A 125 ? 0.1028 0.0834 0.0773 -0.0040 -0.0138 -0.0144 125 PHE A C 939 O O . PHE A 125 ? 0.1181 0.1236 0.0788 0.0166 -0.0042 -0.0154 125 PHE A O 940 C CB . PHE A 125 ? 0.1176 0.0986 0.0795 0.0113 -0.0200 -0.0079 125 PHE A CB 941 C CG . PHE A 125 ? 0.1046 0.0920 0.0809 0.0072 -0.0125 0.0057 125 PHE A CG 942 C CD1 . PHE A 125 ? 0.1085 0.1000 0.0992 0.0048 -0.0026 -0.0110 125 PHE A CD1 943 C CD2 . PHE A 125 ? 0.1098 0.0933 0.0788 0.0022 -0.0061 -0.0038 125 PHE A CD2 944 C CE1 . PHE A 125 ? 0.1029 0.0896 0.0983 0.0037 0.0041 -0.0017 125 PHE A CE1 945 C CE2 . PHE A 125 ? 0.1074 0.1096 0.0900 0.0039 -0.0036 -0.0178 125 PHE A CE2 946 C CZ . PHE A 125 ? 0.1084 0.1127 0.0874 -0.0085 -0.0002 -0.0111 125 PHE A CZ 947 N N . LEU A 126 ? 0.0902 0.1159 0.0694 0.0012 -0.0033 -0.0048 126 LEU A N 948 C CA . LEU A 126 ? 0.0888 0.1175 0.0675 0.0042 -0.0050 -0.0015 126 LEU A CA 949 C C . LEU A 126 ? 0.1006 0.1006 0.0750 0.0021 -0.0051 -0.0027 126 LEU A C 950 O O . LEU A 126 ? 0.1019 0.1295 0.0871 -0.0036 0.0063 -0.0148 126 LEU A O 951 C CB . LEU A 126 ? 0.1039 0.1144 0.0809 -0.0040 -0.0026 0.0002 126 LEU A CB 952 C CG . LEU A 126 ? 0.1044 0.1180 0.0920 -0.0050 0.0020 0.0030 126 LEU A CG 953 C CD1 . LEU A 126 ? 0.1198 0.1207 0.1223 0.0058 0.0099 0.0120 126 LEU A CD1 954 C CD2 . LEU A 126 ? 0.0991 0.1142 0.1191 -0.0122 -0.0002 0.0034 126 LEU A CD2 955 N N . ALA A 127 ? 0.0964 0.1270 0.0719 -0.0163 -0.0003 0.0025 127 ALA A N 956 C CA . ALA A 127 ? 0.1075 0.1083 0.0864 -0.0096 -0.0181 0.0053 127 ALA A CA 957 C C . ALA A 127 ? 0.0896 0.1028 0.0738 -0.0028 -0.0032 -0.0003 127 ALA A C 958 O O . ALA A 127 ? 0.1130 0.1160 0.0910 -0.0214 -0.0049 0.0161 127 ALA A O 959 C CB . ALA A 127 ? 0.1150 0.1154 0.1176 0.0071 -0.0158 0.0096 127 ALA A CB 960 N N . GLY A 128 ? 0.0912 0.1092 0.0757 -0.0061 -0.0014 0.0015 128 GLY A N 961 C CA . GLY A 128 ? 0.1047 0.1122 0.0701 -0.0113 -0.0051 -0.0107 128 GLY A CA 962 C C . GLY A 128 ? 0.0966 0.1379 0.0764 -0.0028 -0.0057 0.0075 128 GLY A C 963 O O . GLY A 128 ? 0.1212 0.1519 0.0814 0.0059 -0.0087 0.0127 128 GLY A O 964 N N . ARG A 129 ? 0.1016 0.0886 0.0766 -0.0011 -0.0032 0.0018 129 ARG A N 965 C CA . ARG A 129 ? 0.1064 0.0995 0.0795 -0.0033 -0.0067 -0.0039 129 ARG A CA 966 C C . ARG A 129 ? 0.1106 0.0967 0.0643 0.0043 -0.0109 0.0023 129 ARG A C 967 O O . ARG A 129 ? 0.1023 0.0931 0.0854 -0.0057 -0.0114 0.0046 129 ARG A O 968 C CB . ARG A 129 ? 0.1047 0.0817 0.0718 0.0046 -0.0087 0.0005 129 ARG A CB 969 C CG . ARG A 129 ? 0.0880 0.0858 0.0835 0.0055 -0.0045 -0.0015 129 ARG A CG 970 C CD . ARG A 129 ? 0.0940 0.0936 0.0738 -0.0087 -0.0041 -0.0036 129 ARG A CD 971 N NE . ARG A 129 ? 0.0907 0.0879 0.0916 0.0013 0.0017 -0.0104 129 ARG A NE 972 C CZ . ARG A 129 ? 0.0829 0.0969 0.0789 -0.0046 0.0037 -0.0050 129 ARG A CZ 973 N NH1 . ARG A 129 ? 0.0815 0.1074 0.0972 0.0092 0.0052 -0.0088 129 ARG A NH1 974 N NH2 . ARG A 129 ? 0.0925 0.1225 0.0923 -0.0037 -0.0036 -0.0293 129 ARG A NH2 975 N N . PRO A 130 ? 0.1182 0.1029 0.0728 -0.0013 -0.0210 -0.0016 130 PRO A N 976 C CA . PRO A 130 ? 0.1230 0.1139 0.0910 -0.0096 -0.0203 -0.0090 130 PRO A CA 977 C C . PRO A 130 ? 0.1127 0.0955 0.0803 0.0003 -0.0229 -0.0184 130 PRO A C 978 O O . PRO A 130 ? 0.1092 0.1091 0.0992 -0.0160 -0.0031 -0.0195 130 PRO A O 979 C CB . PRO A 130 ? 0.1299 0.1953 0.1169 -0.0196 -0.0500 0.0384 130 PRO A CB 980 C CG . PRO A 130 ? 0.2063 0.1854 0.2121 -0.0608 -0.1277 0.0776 130 PRO A CG 981 C CD . PRO A 130 ? 0.1479 0.1104 0.1024 0.0006 -0.0402 0.0180 130 PRO A CD 982 N N . ASN A 131 ? 0.1187 0.1223 0.0734 -0.0153 -0.0165 -0.0176 131 ASN A N 983 C CA . ASN A 131 ? 0.1234 0.1154 0.0847 -0.0097 -0.0126 -0.0121 131 ASN A CA 984 C C . ASN A 131 ? 0.1187 0.1245 0.1039 -0.0194 -0.0215 -0.0194 131 ASN A C 985 O O . ASN A 131 ? 0.1240 0.1618 0.1525 -0.0270 -0.0138 0.0110 131 ASN A O 986 C CB . ASN A 131 ? 0.1217 0.1172 0.0905 -0.0171 -0.0183 -0.0272 131 ASN A CB 987 C CG . ASN A 131 ? 0.1301 0.1125 0.1031 -0.0196 -0.0222 -0.0207 131 ASN A CG 988 O OD1 . ASN A 131 ? 0.1147 0.1093 0.1063 -0.0128 -0.0303 -0.0166 131 ASN A OD1 989 N ND2 . ASN A 131 ? 0.1552 0.1350 0.1047 -0.0427 -0.0349 -0.0097 131 ASN A ND2 990 N N . LYS A 132 ? 0.1237 0.1307 0.1290 -0.0055 -0.0088 -0.0187 132 LYS A N 991 C CA . LYS A 132 ? 0.1427 0.1318 0.1284 0.0026 -0.0239 -0.0297 132 LYS A CA 992 C C . LYS A 132 ? 0.1167 0.1237 0.1038 -0.0086 -0.0131 -0.0129 132 LYS A C 993 O O . LYS A 132 ? 0.1268 0.1302 0.1171 -0.0125 -0.0016 -0.0241 132 LYS A O 994 C CB A LYS A 132 ? 0.2330 0.2115 0.1729 0.1111 -0.0834 -0.0974 132 LYS A CB 995 C CB B LYS A 132 ? 0.1827 0.2404 0.1878 0.0220 -0.0794 -0.1139 132 LYS A CB 996 C CG A LYS A 132 ? 0.1927 0.2218 0.1272 -0.0419 -0.0037 -0.0731 132 LYS A CG 997 C CG B LYS A 132 ? 0.1667 0.3867 0.1777 0.0502 -0.0637 -0.0154 132 LYS A CG 998 C CD A LYS A 132 ? 0.4802 0.2604 0.2394 0.0163 -0.2401 -0.0746 132 LYS A CD 999 C CD B LYS A 132 ? 0.3766 0.4913 0.1915 0.0354 -0.1205 -0.0118 132 LYS A CD 1000 C CE A LYS A 132 ? 0.7303 0.3211 0.2621 -0.0906 -0.1898 -0.1379 132 LYS A CE 1001 C CE B LYS A 132 ? 0.3996 0.4584 0.4072 -0.0113 -0.2990 0.0561 132 LYS A CE 1002 N NZ A LYS A 132 ? 1.1512 0.5181 0.2813 -0.2836 -0.1270 -0.1968 132 LYS A NZ 1003 N NZ B LYS A 132 ? 0.6833 0.5044 0.2297 0.1460 -0.0376 0.0300 132 LYS A NZ 1004 N N . THR A 133 ? 0.1163 0.0998 0.1045 -0.0124 -0.0213 -0.0039 133 THR A N 1005 C CA . THR A 133 ? 0.1119 0.1045 0.0826 -0.0124 -0.0177 0.0034 133 THR A CA 1006 C C . THR A 133 ? 0.1106 0.0995 0.0742 -0.0162 -0.0220 0.0029 133 THR A C 1007 O O . THR A 133 ? 0.1375 0.1376 0.1068 -0.0428 -0.0202 -0.0216 133 THR A O 1008 C CB . THR A 133 ? 0.1045 0.1067 0.0866 -0.0125 -0.0210 0.0010 133 THR A CB 1009 O OG1 . THR A 133 ? 0.1052 0.1034 0.0960 -0.0130 -0.0239 0.0091 133 THR A OG1 1010 C CG2 . THR A 133 ? 0.1100 0.1003 0.0938 -0.0013 -0.0328 0.0053 133 THR A CG2 1011 N N . ILE A 134 ? 0.0972 0.1014 0.0948 -0.0148 -0.0228 0.0007 134 ILE A N 1012 C CA . ILE A 134 ? 0.0979 0.1027 0.0964 -0.0019 -0.0271 0.0016 134 ILE A CA 1013 C C . ILE A 134 ? 0.0887 0.1001 0.0937 -0.0099 -0.0309 0.0003 134 ILE A C 1014 O O . ILE A 134 ? 0.0824 0.1029 0.1015 -0.0145 -0.0287 -0.0052 134 ILE A O 1015 C CB . ILE A 134 ? 0.0911 0.1315 0.1282 -0.0091 -0.0151 0.0454 134 ILE A CB 1016 C CG1 . ILE A 134 ? 0.1179 0.1192 0.2278 -0.0133 -0.0190 0.0454 134 ILE A CG1 1017 C CG2 . ILE A 134 ? 0.1319 0.2170 0.1416 -0.0154 -0.0374 0.0813 134 ILE A CG2 1018 C CD1 . ILE A 134 ? 0.1742 0.1221 0.4240 -0.0012 -0.0101 0.0738 134 ILE A CD1 1019 N N . ALA A 135 ? 0.0834 0.1073 0.1016 -0.0109 -0.0261 -0.0102 135 ALA A N 1020 C CA . ALA A 135 ? 0.0937 0.1022 0.0933 -0.0067 -0.0220 0.0081 135 ALA A CA 1021 C C . ALA A 135 ? 0.0697 0.0993 0.0944 -0.0061 -0.0283 -0.0004 135 ALA A C 1022 O O . ALA A 135 ? 0.1025 0.1049 0.0953 -0.0031 -0.0433 0.0082 135 ALA A O 1023 C CB . ALA A 135 ? 0.0908 0.1118 0.1256 -0.0172 -0.0152 0.0127 135 ALA A CB 1024 N N . ALA A 136 ? 0.0759 0.0930 0.0852 -0.0078 -0.0213 0.0080 136 ALA A N 1025 C CA . ALA A 136 ? 0.0843 0.0935 0.0885 -0.0093 -0.0176 -0.0061 136 ALA A CA 1026 C C . ALA A 136 ? 0.0787 0.1032 0.0834 -0.0078 -0.0203 0.0013 136 ALA A C 1027 O O . ALA A 136 ? 0.0901 0.1066 0.0988 -0.0101 -0.0085 0.0068 136 ALA A O 1028 C CB . ALA A 136 ? 0.0792 0.0897 0.1160 -0.0081 -0.0288 -0.0050 136 ALA A CB 1029 N N . VAL A 137 ? 0.0765 0.1061 0.0869 -0.0024 -0.0064 0.0035 137 VAL A N 1030 C CA . VAL A 137 ? 0.0787 0.1170 0.0970 0.0174 -0.0187 0.0081 137 VAL A CA 1031 C C . VAL A 137 ? 0.0734 0.0963 0.0913 0.0044 -0.0156 0.0060 137 VAL A C 1032 O O . VAL A 137 ? 0.0793 0.1574 0.0906 0.0086 -0.0140 0.0126 137 VAL A O 1033 C CB . VAL A 137 ? 0.0927 0.1267 0.1182 0.0223 -0.0186 0.0298 137 VAL A CB 1034 C CG1 . VAL A 137 ? 0.0830 0.1946 0.1207 0.0090 -0.0312 0.0381 137 VAL A CG1 1035 C CG2 . VAL A 137 ? 0.1052 0.1151 0.1217 0.0253 -0.0166 0.0177 137 VAL A CG2 1036 N N . ASP A 138 ? 0.0767 0.1049 0.1037 0.0181 -0.0192 -0.0062 138 ASP A N 1037 C CA . ASP A 138 ? 0.0840 0.0860 0.1041 0.0105 -0.0065 -0.0119 138 ASP A CA 1038 C C . ASP A 138 ? 0.1032 0.0802 0.1136 0.0127 -0.0182 -0.0041 138 ASP A C 1039 O O . ASP A 138 ? 0.1762 0.0906 0.1262 -0.0012 -0.0486 0.0072 138 ASP A O 1040 C CB . ASP A 138 ? 0.0871 0.1300 0.0996 0.0152 -0.0114 0.0041 138 ASP A CB 1041 C CG . ASP A 138 ? 0.0939 0.1084 0.0991 0.0118 -0.0128 -0.0011 138 ASP A CG 1042 O OD1 . ASP A 138 ? 0.0983 0.1591 0.0903 -0.0002 -0.0117 -0.0156 138 ASP A OD1 1043 O OD2 . ASP A 138 ? 0.1035 0.1214 0.0951 0.0058 -0.0214 0.0042 138 ASP A OD2 1044 N N . GLY A 139 ? 0.0842 0.0954 0.1054 0.0085 -0.0162 0.0013 139 GLY A N 1045 C CA . GLY A 139 ? 0.1006 0.0913 0.1100 0.0034 -0.0010 -0.0082 139 GLY A CA 1046 C C . GLY A 139 ? 0.1026 0.0764 0.1162 0.0027 -0.0047 0.0046 139 GLY A C 1047 O O . GLY A 139 ? 0.1168 0.0867 0.1506 -0.0058 0.0011 -0.0169 139 GLY A O 1048 N N . LEU A 140 ? 0.0886 0.0759 0.0877 -0.0057 -0.0147 0.0028 140 LEU A N 1049 C CA . LEU A 140 ? 0.0850 0.0779 0.0980 -0.0085 -0.0132 0.0104 140 LEU A CA 1050 C C . LEU A 140 ? 0.0875 0.0732 0.1008 -0.0087 -0.0162 0.0017 140 LEU A C 1051 O O . LEU A 140 ? 0.0857 0.0922 0.1060 -0.0121 -0.0165 0.0164 140 LEU A O 1052 C CB . LEU A 140 ? 0.0697 0.0906 0.1039 0.0000 -0.0146 0.0030 140 LEU A CB 1053 C CG . LEU A 140 ? 0.0747 0.1095 0.1010 -0.0043 -0.0097 0.0122 140 LEU A CG 1054 C CD1 . LEU A 140 ? 0.0755 0.1499 0.1084 -0.0023 -0.0239 -0.0193 140 LEU A CD1 1055 C CD2 . LEU A 140 ? 0.2374 0.1091 0.1343 0.0179 -0.0840 0.0300 140 LEU A CD2 1056 N N . ILE A 141 ? 0.0898 0.0853 0.0876 -0.0093 -0.0152 -0.0026 141 ILE A N 1057 C CA . ILE A 141 ? 0.0784 0.0793 0.0920 -0.0031 -0.0069 0.0040 141 ILE A CA 1058 C C . ILE A 141 ? 0.0945 0.0808 0.0801 -0.0008 -0.0102 -0.0058 141 ILE A C 1059 O O . ILE A 141 ? 0.0987 0.0865 0.0928 -0.0007 -0.0121 -0.0085 141 ILE A O 1060 C CB . ILE A 141 ? 0.0867 0.0873 0.0938 -0.0005 -0.0129 0.0004 141 ILE A CB 1061 C CG1 . ILE A 141 ? 0.0889 0.0831 0.0970 0.0092 -0.0122 -0.0057 141 ILE A CG1 1062 C CG2 . ILE A 141 ? 0.1474 0.0801 0.0993 0.0151 -0.0363 0.0095 141 ILE A CG2 1063 C CD1 . ILE A 141 ? 0.1002 0.1166 0.1416 0.0150 0.0009 -0.0388 141 ILE A CD1 1064 N N . PRO A 142 ? 0.0969 0.0916 0.0983 0.0036 -0.0155 -0.0143 142 PRO A N 1065 C CA . PRO A 142 ? 0.0965 0.0861 0.1043 -0.0053 -0.0231 -0.0130 142 PRO A CA 1066 C C . PRO A 142 ? 0.1012 0.0883 0.1043 0.0034 -0.0273 -0.0140 142 PRO A C 1067 O O . PRO A 142 ? 0.1339 0.0837 0.1156 0.0228 -0.0174 -0.0061 142 PRO A O 1068 C CB . PRO A 142 ? 0.0994 0.1484 0.1245 -0.0173 -0.0194 -0.0190 142 PRO A CB 1069 C CG . PRO A 142 ? 0.1057 0.1523 0.1582 -0.0164 0.0029 -0.0625 142 PRO A CG 1070 C CD . PRO A 142 ? 0.0914 0.0973 0.1155 0.0068 -0.0091 -0.0169 142 PRO A CD 1071 N N . GLU A 143 ? 0.1088 0.0833 0.1023 0.0050 -0.0227 -0.0123 143 GLU A N 1072 C CA . GLU A 143 ? 0.1067 0.0866 0.1122 -0.0053 -0.0177 -0.0073 143 GLU A CA 1073 C C . GLU A 143 ? 0.0884 0.0870 0.1049 0.0134 -0.0190 -0.0087 143 GLU A C 1074 O O . GLU A 143 ? 0.0961 0.0861 0.1042 0.0008 -0.0094 -0.0072 143 GLU A O 1075 C CB . GLU A 143 ? 0.1023 0.0995 0.1137 0.0049 -0.0285 -0.0064 143 GLU A CB 1076 C CG . GLU A 143 ? 0.1211 0.1043 0.1314 -0.0068 -0.0232 -0.0258 143 GLU A CG 1077 C CD . GLU A 143 ? 0.1218 0.1409 0.1948 -0.0264 -0.0264 -0.0485 143 GLU A CD 1078 O OE1 . GLU A 143 ? 0.1578 0.1969 0.3094 0.0459 -0.0858 -0.0836 143 GLU A OE1 1079 O OE2 . GLU A 143 ? 0.2017 0.2595 0.2694 -0.0980 0.0338 -0.0049 143 GLU A OE2 1080 N N . PRO A 144 ? 0.0945 0.0811 0.1011 0.0034 -0.0123 -0.0013 144 PRO A N 1081 C CA . PRO A 144 ? 0.0801 0.0930 0.1087 0.0000 -0.0179 -0.0045 144 PRO A CA 1082 C C . PRO A 144 ? 0.0884 0.0908 0.0842 -0.0038 -0.0037 -0.0009 144 PRO A C 1083 O O . PRO A 144 ? 0.0961 0.1038 0.1052 -0.0019 -0.0086 -0.0149 144 PRO A O 1084 C CB . PRO A 144 ? 0.1136 0.0924 0.0972 0.0082 -0.0162 -0.0056 144 PRO A CB 1085 C CG . PRO A 144 ? 0.1183 0.0872 0.1011 0.0063 -0.0073 0.0023 144 PRO A CG 1086 C CD . PRO A 144 ? 0.0925 0.0971 0.1071 -0.0092 -0.0060 -0.0061 144 PRO A CD 1087 N N . GLN A 145 ? 0.0977 0.0865 0.0973 0.0002 -0.0049 -0.0083 145 GLN A N 1088 C CA . GLN A 145 ? 0.0901 0.1139 0.1009 0.0136 0.0028 -0.0082 145 GLN A CA 1089 C C . GLN A 145 ? 0.0865 0.0886 0.1147 0.0058 0.0097 -0.0178 145 GLN A C 1090 O O . GLN A 145 ? 0.1199 0.1031 0.1251 0.0070 0.0117 -0.0169 145 GLN A O 1091 C CB . GLN A 145 ? 0.1004 0.1327 0.1303 -0.0118 0.0130 -0.0111 145 GLN A CB 1092 C CG . GLN A 145 ? 0.0844 0.1530 0.1589 -0.0051 -0.0112 0.0098 145 GLN A CG 1093 C CD . GLN A 145 ? 0.1047 0.1685 0.1223 -0.0092 -0.0124 -0.0162 145 GLN A CD 1094 O OE1 . GLN A 145 ? 0.1283 0.1248 0.1366 -0.0241 -0.0075 -0.0062 145 GLN A OE1 1095 N NE2 . GLN A 145 ? 0.1056 0.2002 0.2109 -0.0170 -0.0204 -0.0345 145 GLN A NE2 1096 N N . ASP A 146 ? 0.0949 0.0931 0.1040 -0.0049 -0.0069 -0.0121 146 ASP A N 1097 C CA . ASP A 146 ? 0.1108 0.0924 0.1032 0.0046 -0.0076 -0.0091 146 ASP A CA 1098 C C . ASP A 146 ? 0.1141 0.0845 0.0959 0.0105 -0.0003 -0.0013 146 ASP A C 1099 O O . ASP A 146 ? 0.1136 0.0921 0.1373 -0.0022 -0.0154 -0.0103 146 ASP A O 1100 C CB . ASP A 146 ? 0.1103 0.0800 0.1139 0.0072 -0.0041 -0.0091 146 ASP A CB 1101 C CG . ASP A 146 ? 0.1216 0.0828 0.1127 -0.0057 -0.0059 -0.0037 146 ASP A CG 1102 O OD1 . ASP A 146 ? 0.1337 0.0944 0.1083 0.0049 -0.0155 -0.0082 146 ASP A OD1 1103 O OD2 . ASP A 146 ? 0.1203 0.1216 0.1249 -0.0160 -0.0040 -0.0126 146 ASP A OD2 1104 N N . SER A 147 ? 0.1045 0.0965 0.0964 0.0034 -0.0028 -0.0102 147 SER A N 1105 C CA . SER A 147 ? 0.1112 0.0953 0.0944 -0.0034 -0.0074 -0.0117 147 SER A CA 1106 C C . SER A 147 ? 0.1128 0.0740 0.0988 -0.0068 -0.0070 -0.0110 147 SER A C 1107 O O . SER A 147 ? 0.1053 0.0892 0.0998 -0.0027 -0.0136 -0.0122 147 SER A O 1108 C CB . SER A 147 ? 0.1110 0.0969 0.1301 -0.0020 -0.0111 -0.0163 147 SER A CB 1109 O OG . SER A 147 ? 0.1198 0.0871 0.1419 0.0088 -0.0224 -0.0146 147 SER A OG 1110 N N . VAL A 148 ? 0.1114 0.0619 0.1005 0.0015 -0.0086 -0.0172 148 VAL A N 1111 C CA . VAL A 148 ? 0.1056 0.0534 0.0996 -0.0003 -0.0177 -0.0094 148 VAL A CA 1112 C C . VAL A 148 ? 0.0796 0.0742 0.1150 -0.0010 -0.0215 -0.0008 148 VAL A C 1113 O O . VAL A 148 ? 0.0985 0.0733 0.1032 0.0053 -0.0179 -0.0076 148 VAL A O 1114 C CB . VAL A 148 ? 0.1129 0.0609 0.1089 -0.0052 -0.0235 -0.0075 148 VAL A CB 1115 C CG1 . VAL A 148 ? 0.1069 0.0677 0.1099 -0.0005 -0.0152 -0.0066 148 VAL A CG1 1116 C CG2 . VAL A 148 ? 0.1078 0.0872 0.1007 -0.0027 -0.0203 -0.0080 148 VAL A CG2 1117 N N . THR A 149 ? 0.0956 0.0730 0.1050 0.0086 -0.0150 0.0034 149 THR A N 1118 C CA . THR A 149 ? 0.0850 0.0743 0.1166 0.0070 -0.0246 0.0018 149 THR A CA 1119 C C . THR A 149 ? 0.0949 0.0647 0.1177 0.0119 -0.0180 0.0035 149 THR A C 1120 O O . THR A 149 ? 0.0950 0.0782 0.1103 0.0037 -0.0137 -0.0008 149 THR A O 1121 C CB . THR A 149 ? 0.1092 0.0617 0.1265 0.0021 -0.0189 0.0033 149 THR A CB 1122 O OG1 . THR A 149 ? 0.1051 0.0743 0.1172 0.0015 -0.0126 -0.0037 149 THR A OG1 1123 C CG2 . THR A 149 ? 0.1273 0.0561 0.1504 0.0208 -0.0391 0.0044 149 THR A CG2 1124 N N . LYS A 150 ? 0.1050 0.0725 0.0916 0.0029 -0.0139 -0.0060 150 LYS A N 1125 C CA . LYS A 150 ? 0.1006 0.0717 0.1074 0.0024 -0.0179 -0.0071 150 LYS A CA 1126 C C . LYS A 150 ? 0.0983 0.0707 0.1009 0.0039 -0.0219 -0.0041 150 LYS A C 1127 O O . LYS A 150 ? 0.1067 0.0837 0.1134 0.0001 -0.0286 -0.0163 150 LYS A O 1128 C CB . LYS A 150 ? 0.0983 0.0803 0.1245 0.0086 -0.0090 -0.0053 150 LYS A CB 1129 C CG . LYS A 150 ? 0.0996 0.0844 0.1475 0.0090 -0.0152 -0.0116 150 LYS A CG 1130 C CD . LYS A 150 ? 0.0981 0.1407 0.1553 -0.0105 -0.0235 0.0059 150 LYS A CD 1131 C CE . LYS A 150 ? 0.1215 0.1794 0.1734 -0.0314 -0.0313 -0.0214 150 LYS A CE 1132 N NZ A LYS A 150 ? 0.2214 0.4378 0.1508 -0.1935 0.0420 -0.0463 150 LYS A NZ 1133 N NZ B LYS A 150 ? 0.1163 0.2030 0.1919 -0.0346 -0.0404 0.0000 150 LYS A NZ 1134 N N . ILE A 151 ? 0.0978 0.0784 0.0987 0.0060 -0.0096 -0.0038 151 ILE A N 1135 C CA . ILE A 151 ? 0.0917 0.0723 0.1112 -0.0004 -0.0188 -0.0039 151 ILE A CA 1136 C C . ILE A 151 ? 0.0950 0.0598 0.1029 0.0048 -0.0225 -0.0068 151 ILE A C 1137 O O . ILE A 151 ? 0.1045 0.0717 0.1022 -0.0012 -0.0224 -0.0076 151 ILE A O 1138 C CB . ILE A 151 ? 0.1079 0.0917 0.0988 0.0150 -0.0132 -0.0089 151 ILE A CB 1139 C CG1 . ILE A 151 ? 0.1336 0.1004 0.1057 0.0117 -0.0070 0.0024 151 ILE A CG1 1140 C CG2 . ILE A 151 ? 0.1398 0.1214 0.0934 0.0480 -0.0066 0.0060 151 ILE A CG2 1141 C CD1 . ILE A 151 ? 0.1581 0.1739 0.0992 0.0619 -0.0048 0.0135 151 ILE A CD1 1142 N N . LEU A 152 ? 0.1115 0.0697 0.0984 -0.0065 -0.0096 -0.0130 152 LEU A N 1143 C CA . LEU A 152 ? 0.1067 0.0907 0.0999 -0.0140 -0.0227 0.0037 152 LEU A CA 1144 C C . LEU A 152 ? 0.1032 0.0726 0.1045 -0.0127 -0.0148 -0.0075 152 LEU A C 1145 O O . LEU A 152 ? 0.1097 0.1041 0.0999 -0.0187 -0.0211 -0.0053 152 LEU A O 1146 C CB . LEU A 152 ? 0.1019 0.0803 0.0887 -0.0047 -0.0085 -0.0031 152 LEU A CB 1147 C CG . LEU A 152 ? 0.1024 0.0732 0.1011 -0.0073 -0.0237 -0.0070 152 LEU A CG 1148 C CD1 . LEU A 152 ? 0.1289 0.0740 0.1182 -0.0177 -0.0280 -0.0088 152 LEU A CD1 1149 C CD2 . LEU A 152 ? 0.1198 0.0881 0.1250 0.0054 -0.0338 -0.0130 152 LEU A CD2 1150 N N . GLN A 153 ? 0.1167 0.0653 0.1020 -0.0092 -0.0311 0.0079 153 GLN A N 1151 C CA . GLN A 153 ? 0.1251 0.0788 0.0970 0.0008 -0.0261 -0.0090 153 GLN A CA 1152 C C . GLN A 153 ? 0.1038 0.0688 0.0989 0.0028 -0.0272 -0.0023 153 GLN A C 1153 O O . GLN A 153 ? 0.1259 0.0747 0.1064 -0.0108 -0.0176 -0.0058 153 GLN A O 1154 C CB . GLN A 153 ? 0.1423 0.0601 0.1472 0.0138 -0.0394 -0.0111 153 GLN A CB 1155 C CG . GLN A 153 ? 0.2272 0.1703 0.2189 0.1120 -0.1047 -0.0606 153 GLN A CG 1156 C CD . GLN A 153 ? 0.2520 0.1879 0.1685 0.0365 -0.0903 0.0049 153 GLN A CD 1157 O OE1 . GLN A 153 ? 0.2134 0.2108 0.2266 0.0710 -0.0382 0.0354 153 GLN A OE1 1158 N NE2 . GLN A 153 ? 0.3920 0.2235 0.1611 0.0860 -0.1108 0.0134 153 GLN A NE2 1159 N N . ARG A 154 ? 0.1088 0.0826 0.0965 -0.0195 -0.0165 -0.0023 154 ARG A N 1160 C CA . ARG A 154 ? 0.1027 0.0795 0.0892 -0.0089 -0.0165 0.0030 154 ARG A CA 1161 C C . ARG A 154 ? 0.0999 0.0839 0.0898 -0.0115 -0.0230 0.0050 154 ARG A C 1162 O O . ARG A 154 ? 0.1061 0.0894 0.0888 -0.0076 -0.0267 0.0001 154 ARG A O 1163 C CB . ARG A 154 ? 0.0977 0.0848 0.0952 -0.0147 -0.0189 0.0010 154 ARG A CB 1164 C CG . ARG A 154 ? 0.1119 0.0793 0.0877 -0.0143 -0.0033 -0.0159 154 ARG A CG 1165 C CD . ARG A 154 ? 0.1032 0.1117 0.0981 -0.0153 -0.0090 -0.0153 154 ARG A CD 1166 N NE . ARG A 154 ? 0.1087 0.0828 0.1085 0.0057 -0.0167 -0.0058 154 ARG A NE 1167 C CZ . ARG A 154 ? 0.0902 0.0843 0.0982 0.0022 -0.0229 -0.0043 154 ARG A CZ 1168 N NH1 . ARG A 154 ? 0.1142 0.0707 0.0906 -0.0069 -0.0121 -0.0030 154 ARG A NH1 1169 N NH2 . ARG A 154 ? 0.1057 0.0792 0.1057 -0.0062 -0.0160 0.0047 154 ARG A NH2 1170 N N . PHE A 155 ? 0.1055 0.0783 0.0834 -0.0131 -0.0247 -0.0045 155 PHE A N 1171 C CA . PHE A 155 ? 0.1032 0.0794 0.1000 -0.0049 -0.0217 0.0042 155 PHE A CA 1172 C C . PHE A 155 ? 0.0847 0.0855 0.1002 -0.0096 -0.0205 -0.0042 155 PHE A C 1173 O O . PHE A 155 ? 0.1000 0.0972 0.1045 -0.0001 -0.0171 0.0001 155 PHE A O 1174 C CB . PHE A 155 ? 0.1032 0.0961 0.1001 -0.0211 -0.0205 0.0128 155 PHE A CB 1175 C CG . PHE A 155 ? 0.0933 0.0868 0.0903 -0.0091 -0.0219 0.0026 155 PHE A CG 1176 C CD1 . PHE A 155 ? 0.1097 0.0910 0.1120 -0.0115 0.0005 -0.0132 155 PHE A CD1 1177 C CD2 . PHE A 155 ? 0.0956 0.0742 0.0916 0.0001 -0.0191 -0.0017 155 PHE A CD2 1178 C CE1 . PHE A 155 ? 0.1231 0.0928 0.1221 0.0040 -0.0059 -0.0066 155 PHE A CE1 1179 C CE2 . PHE A 155 ? 0.0993 0.0793 0.0993 0.0024 -0.0160 0.0070 155 PHE A CE2 1180 C CZ . PHE A 155 ? 0.1212 0.0924 0.1061 0.0181 -0.0224 0.0041 155 PHE A CZ 1181 N N . GLU A 156 ? 0.1146 0.0856 0.0974 -0.0143 -0.0173 -0.0044 156 GLU A N 1182 C CA . GLU A 156 ? 0.1262 0.1004 0.0868 -0.0220 -0.0095 -0.0019 156 GLU A CA 1183 C C . GLU A 156 ? 0.1289 0.0807 0.1022 -0.0071 -0.0206 0.0023 156 GLU A C 1184 O O . GLU A 156 ? 0.1546 0.1105 0.0871 -0.0109 -0.0174 0.0157 156 GLU A O 1185 C CB . GLU A 156 ? 0.1512 0.0880 0.1261 -0.0365 -0.0132 0.0049 156 GLU A CB 1186 C CG . GLU A 156 ? 0.2361 0.1167 0.1571 -0.0610 -0.0199 0.0209 156 GLU A CG 1187 C CD . GLU A 156 ? 0.5145 0.1058 0.1975 -0.0159 -0.0546 0.0224 156 GLU A CD 1188 O OE1 . GLU A 156 ? 0.7262 0.1311 0.2520 -0.1068 -0.0060 0.0270 156 GLU A OE1 1189 O OE2 . GLU A 156 ? 0.7704 0.1377 0.2149 -0.0322 -0.0066 -0.0235 156 GLU A OE2 1190 N N . ASP A 157 ? 0.1260 0.0913 0.1005 -0.0110 -0.0278 -0.0010 157 ASP A N 1191 C CA . ASP A 157 ? 0.1329 0.0879 0.0970 -0.0139 -0.0293 0.0069 157 ASP A CA 1192 C C . ASP A 157 ? 0.1070 0.0907 0.0960 -0.0071 -0.0276 0.0066 157 ASP A C 1193 O O . ASP A 157 ? 0.1248 0.1095 0.1036 -0.0059 -0.0334 -0.0052 157 ASP A O 1194 C CB . ASP A 157 ? 0.1343 0.0800 0.1205 0.0084 -0.0377 -0.0089 157 ASP A CB 1195 C CG . ASP A 157 ? 0.1324 0.0921 0.1228 0.0079 -0.0422 -0.0009 157 ASP A CG 1196 O OD1 . ASP A 157 ? 0.1388 0.0970 0.1365 0.0008 -0.0427 0.0067 157 ASP A OD1 1197 O OD2 . ASP A 157 ? 0.1681 0.1150 0.1523 -0.0111 -0.0695 0.0339 157 ASP A OD2 1198 N N . ALA A 158 ? 0.1099 0.0880 0.0925 -0.0086 -0.0186 0.0062 158 ALA A N 1199 C CA . ALA A 158 ? 0.1168 0.0796 0.0923 -0.0154 -0.0165 0.0023 158 ALA A CA 1200 C C . ALA A 158 ? 0.1224 0.0816 0.0927 -0.0157 -0.0137 0.0047 158 ALA A C 1201 O O . ALA A 158 ? 0.1422 0.1097 0.1053 -0.0312 -0.0098 -0.0104 158 ALA A O 1202 C CB . ALA A 158 ? 0.1178 0.0833 0.0955 0.0016 -0.0163 0.0052 158 ALA A CB 1203 N N . GLY A 159 ? 0.1172 0.1153 0.1237 -0.0194 -0.0056 -0.0311 159 GLY A N 1204 C CA . GLY A 159 ? 0.1577 0.1585 0.1565 -0.0737 0.0401 -0.0546 159 GLY A CA 1205 C C . GLY A 159 ? 0.1420 0.1113 0.0955 -0.0358 0.0061 -0.0141 159 GLY A C 1206 O O . GLY A 159 ? 0.1309 0.1268 0.1222 -0.0377 0.0150 -0.0145 159 GLY A O 1207 N N . GLY A 160 ? 0.1204 0.1050 0.0903 -0.0280 -0.0122 0.0070 160 GLY A N 1208 C CA . GLY A 160 ? 0.1347 0.1015 0.1113 -0.0269 -0.0164 0.0255 160 GLY A CA 1209 C C . GLY A 160 ? 0.1338 0.0858 0.1024 -0.0345 -0.0151 0.0091 160 GLY A C 1210 O O . GLY A 160 ? 0.1477 0.1654 0.1128 -0.0606 -0.0185 0.0208 160 GLY A O 1211 N N . PHE A 161 ? 0.1199 0.0812 0.0907 -0.0086 -0.0127 0.0032 161 PHE A N 1212 C CA . PHE A 161 ? 0.1155 0.0982 0.0873 -0.0076 -0.0152 -0.0087 161 PHE A CA 1213 C C . PHE A 161 ? 0.1167 0.0885 0.0898 -0.0133 -0.0268 0.0033 161 PHE A C 1214 O O . PHE A 161 ? 0.1290 0.1036 0.1227 0.0047 -0.0252 -0.0226 161 PHE A O 1215 C CB . PHE A 161 ? 0.1211 0.0818 0.0840 0.0044 -0.0063 -0.0053 161 PHE A CB 1216 C CG . PHE A 161 ? 0.1203 0.0904 0.0922 0.0023 -0.0060 -0.0093 161 PHE A CG 1217 C CD1 . PHE A 161 ? 0.1119 0.1047 0.1557 -0.0166 0.0163 -0.0317 161 PHE A CD1 1218 C CD2 . PHE A 161 ? 0.1440 0.0880 0.1272 0.0196 -0.0340 -0.0100 161 PHE A CD2 1219 C CE1 . PHE A 161 ? 0.1503 0.0881 0.2152 -0.0252 0.0214 -0.0401 161 PHE A CE1 1220 C CE2 . PHE A 161 ? 0.1712 0.1058 0.1205 0.0223 -0.0054 -0.0192 161 PHE A CE2 1221 C CZ . PHE A 161 ? 0.1726 0.0910 0.1997 -0.0130 0.0102 -0.0279 161 PHE A CZ 1222 N N . THR A 162 ? 0.1220 0.0682 0.1012 -0.0063 -0.0246 0.0071 162 THR A N 1223 C CA . THR A 162 ? 0.1287 0.0649 0.0951 -0.0123 -0.0309 0.0109 162 THR A CA 1224 C C . THR A 162 ? 0.1254 0.0594 0.0965 -0.0049 -0.0349 0.0144 162 THR A C 1225 O O . THR A 162 ? 0.1085 0.0669 0.0935 -0.0068 -0.0210 0.0059 162 THR A O 1226 C CB . THR A 162 ? 0.1254 0.0980 0.1117 -0.0179 -0.0266 0.0154 162 THR A CB 1227 O OG1 . THR A 162 ? 0.1229 0.0946 0.1167 -0.0164 -0.0168 0.0162 162 THR A OG1 1228 C CG2 . THR A 162 ? 0.1456 0.1394 0.1218 -0.0328 -0.0202 0.0447 162 THR A CG2 1229 N N . PRO A 163 ? 0.1199 0.0661 0.0988 0.0069 -0.0327 0.0055 163 PRO A N 1230 C CA . PRO A 163 ? 0.1157 0.0712 0.0952 -0.0015 -0.0157 0.0001 163 PRO A CA 1231 C C . PRO A 163 ? 0.1113 0.0739 0.0817 -0.0090 -0.0229 -0.0016 163 PRO A C 1232 O O . PRO A 163 ? 0.1014 0.0684 0.0922 0.0014 -0.0224 -0.0016 163 PRO A O 1233 C CB . PRO A 163 ? 0.1362 0.0731 0.1121 -0.0013 -0.0318 -0.0099 163 PRO A CB 1234 C CG . PRO A 163 ? 0.1451 0.0815 0.1341 0.0196 -0.0366 -0.0144 163 PRO A CG 1235 C CD . PRO A 163 ? 0.1389 0.0728 0.1193 0.0110 -0.0427 0.0023 163 PRO A CD 1236 N N . PHE A 164 ? 0.1186 0.0643 0.0985 -0.0022 -0.0162 0.0106 164 PHE A N 1237 C CA . PHE A 164 ? 0.1053 0.0693 0.0821 -0.0064 -0.0162 0.0000 164 PHE A CA 1238 C C . PHE A 164 ? 0.1008 0.0649 0.0846 -0.0116 -0.0106 0.0049 164 PHE A C 1239 O O . PHE A 164 ? 0.0864 0.0705 0.0878 -0.0068 -0.0131 0.0044 164 PHE A O 1240 C CB . PHE A 164 ? 0.1102 0.0766 0.0975 -0.0174 -0.0125 0.0157 164 PHE A CB 1241 C CG . PHE A 164 ? 0.0960 0.0856 0.1036 -0.0211 -0.0094 0.0101 164 PHE A CG 1242 C CD1 . PHE A 164 ? 0.1028 0.1034 0.1069 -0.0068 -0.0145 0.0044 164 PHE A CD1 1243 C CD2 . PHE A 164 ? 0.1089 0.0912 0.1107 -0.0179 -0.0149 -0.0020 164 PHE A CD2 1244 C CE1 . PHE A 164 ? 0.1035 0.1340 0.1197 0.0138 -0.0189 0.0048 164 PHE A CE1 1245 C CE2 . PHE A 164 ? 0.0946 0.1123 0.1582 -0.0115 -0.0045 -0.0190 164 PHE A CE2 1246 C CZ . PHE A 164 ? 0.0941 0.0996 0.1397 -0.0138 -0.0070 0.0146 164 PHE A CZ 1247 N N . GLU A 165 ? 0.0862 0.0702 0.0793 0.0017 -0.0129 -0.0020 165 GLU A N 1248 C CA . GLU A 165 ? 0.0983 0.0740 0.0914 -0.0087 -0.0158 0.0059 165 GLU A CA 1249 C C . GLU A 165 ? 0.0919 0.0826 0.0829 -0.0086 -0.0109 -0.0040 165 GLU A C 1250 O O . GLU A 165 ? 0.0925 0.0745 0.0869 0.0019 -0.0049 0.0099 165 GLU A O 1251 C CB . GLU A 165 ? 0.0910 0.0905 0.0883 -0.0081 -0.0140 0.0003 165 GLU A CB 1252 C CG . GLU A 165 ? 0.1002 0.1142 0.0992 0.0055 -0.0020 0.0136 165 GLU A CG 1253 C CD . GLU A 165 ? 0.1013 0.1396 0.0961 -0.0048 -0.0055 0.0140 165 GLU A CD 1254 O OE1 . GLU A 165 ? 0.1578 0.2313 0.0985 0.0475 0.0018 0.0005 165 GLU A OE1 1255 O OE2 . GLU A 165 ? 0.1300 0.1327 0.0902 0.0113 -0.0092 0.0094 165 GLU A OE2 1256 N N . VAL A 166 ? 0.1013 0.0547 0.0873 -0.0069 -0.0161 0.0019 166 VAL A N 1257 C CA . VAL A 166 ? 0.0861 0.0609 0.0999 -0.0023 -0.0151 -0.0054 166 VAL A CA 1258 C C . VAL A 166 ? 0.0725 0.0721 0.0935 0.0029 -0.0068 0.0028 166 VAL A C 1259 O O . VAL A 166 ? 0.0843 0.0848 0.0945 -0.0054 -0.0044 0.0034 166 VAL A O 1260 C CB . VAL A 166 ? 0.0788 0.0683 0.1195 -0.0009 -0.0239 0.0016 166 VAL A CB 1261 C CG1 . VAL A 166 ? 0.0885 0.1104 0.1260 0.0107 -0.0023 0.0132 166 VAL A CG1 1262 C CG2 . VAL A 166 ? 0.0849 0.0843 0.1222 0.0037 -0.0204 0.0114 166 VAL A CG2 1263 N N . VAL A 167 ? 0.0862 0.0765 0.0821 -0.0015 -0.0149 0.0065 167 VAL A N 1264 C CA . VAL A 167 ? 0.0762 0.0718 0.0857 -0.0058 -0.0107 0.0012 167 VAL A CA 1265 C C . VAL A 167 ? 0.0791 0.0623 0.0801 -0.0096 -0.0099 0.0005 167 VAL A C 1266 O O . VAL A 167 ? 0.0875 0.0653 0.0938 0.0029 -0.0087 0.0011 167 VAL A O 1267 C CB . VAL A 167 ? 0.0944 0.0768 0.0864 -0.0007 -0.0130 -0.0137 167 VAL A CB 1268 C CG1 . VAL A 167 ? 0.1022 0.0749 0.0958 0.0025 -0.0179 -0.0121 167 VAL A CG1 1269 C CG2 . VAL A 167 ? 0.1370 0.0758 0.1101 0.0184 -0.0229 0.0013 167 VAL A CG2 1270 N N . SER A 168 ? 0.0782 0.0578 0.0879 -0.0011 -0.0081 0.0033 168 SER A N 1271 C CA . SER A 168 ? 0.0663 0.0624 0.1027 0.0008 -0.0068 0.0102 168 SER A CA 1272 C C . SER A 168 ? 0.0836 0.0596 0.0693 -0.0087 -0.0075 0.0011 168 SER A C 1273 O O . SER A 168 ? 0.0853 0.0714 0.0928 0.0001 -0.0148 0.0075 168 SER A O 1274 C CB . SER A 168 ? 0.0839 0.0603 0.0932 -0.0038 0.0053 0.0033 168 SER A CB 1275 O OG . SER A 168 ? 0.0907 0.0723 0.0908 -0.0147 -0.0065 0.0092 168 SER A OG 1276 N N . LEU A 169 ? 0.0791 0.0608 0.0892 -0.0037 -0.0092 -0.0021 169 LEU A N 1277 C CA . LEU A 169 ? 0.0721 0.0701 0.0942 -0.0068 0.0007 0.0039 169 LEU A CA 1278 C C . LEU A 169 ? 0.0757 0.0726 0.0889 -0.0103 -0.0064 -0.0008 169 LEU A C 1279 O O . LEU A 169 ? 0.1055 0.0708 0.0971 -0.0084 -0.0075 0.0032 169 LEU A O 1280 C CB . LEU A 169 ? 0.0866 0.0758 0.0856 -0.0055 -0.0048 -0.0009 169 LEU A CB 1281 C CG . LEU A 169 ? 0.0957 0.0864 0.0823 0.0040 -0.0037 0.0006 169 LEU A CG 1282 C CD1 . LEU A 169 ? 0.1482 0.0877 0.1197 0.0107 -0.0441 -0.0063 169 LEU A CD1 1283 C CD2 . LEU A 169 ? 0.1113 0.0877 0.1006 -0.0023 -0.0048 -0.0163 169 LEU A CD2 1284 N N . LEU A 170 ? 0.0809 0.0624 0.0993 -0.0080 0.0079 0.0060 170 LEU A N 1285 C CA . LEU A 170 ? 0.1035 0.0751 0.0844 -0.0126 0.0043 0.0018 170 LEU A CA 1286 C C . LEU A 170 ? 0.1074 0.0723 0.0811 -0.0068 0.0060 -0.0055 170 LEU A C 1287 O O . LEU A 170 ? 0.1143 0.0769 0.0805 -0.0084 0.0054 -0.0046 170 LEU A O 1288 C CB . LEU A 170 ? 0.1022 0.0766 0.1029 -0.0056 0.0083 0.0049 170 LEU A CB 1289 C CG . LEU A 170 ? 0.1187 0.0806 0.1161 0.0037 -0.0138 0.0026 170 LEU A CG 1290 C CD1 . LEU A 170 ? 0.1372 0.0998 0.1326 0.0160 0.0297 -0.0028 170 LEU A CD1 1291 C CD2 . LEU A 170 ? 0.0990 0.0985 0.1868 -0.0080 0.0146 -0.0227 170 LEU A CD2 1292 N N . ALA A 171 ? 0.0977 0.0845 0.0676 -0.0128 -0.0066 0.0030 171 ALA A N 1293 C CA . ALA A 171 ? 0.0956 0.0759 0.0762 -0.0095 -0.0180 -0.0001 171 ALA A CA 1294 C C . ALA A 171 ? 0.0713 0.0889 0.0790 -0.0016 -0.0053 0.0026 171 ALA A C 1295 O O . ALA A 171 ? 0.0828 0.0889 0.0738 0.0041 -0.0057 0.0087 171 ALA A O 1296 C CB . ALA A 171 ? 0.0842 0.1076 0.0886 -0.0089 -0.0093 0.0167 171 ALA A CB 1297 N N . SER A 172 ? 0.0775 0.0876 0.0732 -0.0110 -0.0075 0.0060 172 SER A N 1298 C CA . SER A 172 ? 0.0927 0.0772 0.0828 -0.0047 0.0006 -0.0077 172 SER A CA 1299 C C . SER A 172 ? 0.0681 0.0697 0.0805 -0.0088 -0.0061 0.0003 172 SER A C 1300 O O . SER A 172 ? 0.0802 0.0733 0.0827 0.0033 -0.0064 -0.0042 172 SER A O 1301 C CB . SER A 172 ? 0.1201 0.1125 0.0867 -0.0368 -0.0056 -0.0022 172 SER A CB 1302 O OG . SER A 172 ? 0.1175 0.1780 0.1843 0.0009 -0.0228 0.0551 172 SER A OG 1303 N N . HIS A 173 ? 0.0622 0.0776 0.0826 0.0049 -0.0036 -0.0029 173 HIS A N 1304 C CA . HIS A 173 ? 0.0824 0.0702 0.0740 0.0015 -0.0056 0.0081 173 HIS A CA 1305 C C . HIS A 173 ? 0.0836 0.0544 0.0800 0.0013 -0.0028 0.0067 173 HIS A C 1306 O O . HIS A 173 ? 0.0871 0.0906 0.0758 0.0125 0.0030 0.0113 173 HIS A O 1307 C CB . HIS A 173 ? 0.0895 0.0643 0.0792 0.0021 -0.0070 -0.0071 173 HIS A CB 1308 C CG . HIS A 173 ? 0.0985 0.0744 0.0692 0.0128 -0.0032 0.0024 173 HIS A CG 1309 N ND1 . HIS A 173 ? 0.0857 0.0761 0.0878 0.0120 -0.0052 0.0027 173 HIS A ND1 1310 C CD2 . HIS A 173 ? 0.0754 0.0782 0.0780 0.0026 -0.0122 0.0107 173 HIS A CD2 1311 C CE1 . HIS A 173 ? 0.0985 0.0670 0.0870 0.0086 -0.0102 0.0087 173 HIS A CE1 1312 N NE2 . HIS A 173 ? 0.0967 0.0925 0.0899 0.0063 -0.0034 0.0057 173 HIS A NE2 1313 N N . SER A 174 ? 0.0851 0.0713 0.0760 -0.0033 -0.0078 0.0043 174 SER A N 1314 C CA . SER A 174 ? 0.0854 0.0735 0.0610 -0.0006 -0.0080 0.0005 174 SER A CA 1315 C C . SER A 174 ? 0.0640 0.0770 0.0780 0.0064 -0.0023 -0.0015 174 SER A C 1316 O O . SER A 174 ? 0.0743 0.0865 0.0842 0.0061 -0.0138 0.0110 174 SER A O 1317 C CB . SER A 174 ? 0.0902 0.0814 0.0636 -0.0031 -0.0052 0.0127 174 SER A CB 1318 O OG . SER A 174 ? 0.0865 0.0814 0.0817 0.0081 -0.0134 0.0027 174 SER A OG 1319 N N . VAL A 175 ? 0.0794 0.0758 0.0703 0.0010 -0.0061 -0.0047 175 VAL A N 1320 C CA . VAL A 175 ? 0.0901 0.0794 0.0814 0.0059 -0.0066 -0.0059 175 VAL A CA 1321 C C . VAL A 175 ? 0.0853 0.0656 0.0874 -0.0007 -0.0062 0.0044 175 VAL A C 1322 O O . VAL A 175 ? 0.0949 0.0794 0.1039 -0.0048 -0.0036 -0.0099 175 VAL A O 1323 C CB . VAL A 175 ? 0.0842 0.0667 0.0817 -0.0043 -0.0056 -0.0001 175 VAL A CB 1324 C CG1 . VAL A 175 ? 0.0869 0.0951 0.0801 0.0103 -0.0061 -0.0022 175 VAL A CG1 1325 C CG2 . VAL A 175 ? 0.1086 0.1070 0.0804 0.0252 -0.0085 -0.0079 175 VAL A CG2 1326 N N . ALA A 176 ? 0.0812 0.1011 0.0931 -0.0159 -0.0029 -0.0052 176 ALA A N 1327 C CA . ALA A 176 ? 0.0868 0.0922 0.0834 -0.0019 -0.0059 0.0026 176 ALA A CA 1328 C C . ALA A 176 ? 0.0781 0.0752 0.0895 -0.0044 -0.0060 0.0065 176 ALA A C 1329 O O . ALA A 176 ? 0.0871 0.0847 0.0915 -0.0112 -0.0036 -0.0085 176 ALA A O 1330 C CB . ALA A 176 ? 0.1086 0.0912 0.0951 -0.0098 0.0014 0.0137 176 ALA A CB 1331 N N . ARG A 177 ? 0.0965 0.0783 0.0742 -0.0060 -0.0004 -0.0054 177 ARG A N 1332 C CA . ARG A 177 ? 0.0839 0.0902 0.0700 -0.0093 -0.0008 0.0065 177 ARG A CA 1333 C C . ARG A 177 ? 0.0914 0.0935 0.0799 -0.0109 -0.0069 0.0007 177 ARG A C 1334 O O . ARG A 177 ? 0.0866 0.1435 0.0790 -0.0012 -0.0044 -0.0062 177 ARG A O 1335 C CB . ARG A 177 ? 0.1074 0.0884 0.0739 0.0047 -0.0004 -0.0005 177 ARG A CB 1336 C CG . ARG A 177 ? 0.0998 0.0745 0.0705 -0.0059 -0.0088 -0.0050 177 ARG A CG 1337 C CD . ARG A 177 ? 0.1124 0.0841 0.0746 -0.0087 -0.0115 0.0044 177 ARG A CD 1338 N NE . ARG A 177 ? 0.1510 0.0830 0.0710 0.0038 -0.0232 0.0009 177 ARG A NE 1339 C CZ . ARG A 177 ? 0.1319 0.0786 0.0835 0.0060 -0.0167 0.0010 177 ARG A CZ 1340 N NH1 . ARG A 177 ? 0.1459 0.0766 0.0793 -0.0113 -0.0132 0.0074 177 ARG A NH1 1341 N NH2 . ARG A 177 ? 0.1772 0.0849 0.0997 -0.0028 -0.0397 0.0009 177 ARG A NH2 1342 N N . ALA A 178 ? 0.0861 0.1059 0.0705 -0.0033 -0.0064 0.0039 178 ALA A N 1343 C CA . ALA A 178 ? 0.0919 0.0984 0.0727 -0.0072 -0.0063 0.0018 178 ALA A CA 1344 C C . ALA A 178 ? 0.1005 0.0934 0.0859 -0.0109 -0.0056 0.0041 178 ALA A C 1345 O O . ALA A 178 ? 0.1091 0.1096 0.0831 -0.0174 -0.0028 0.0066 178 ALA A O 1346 C CB . ALA A 178 ? 0.0872 0.0989 0.1177 -0.0132 0.0097 -0.0043 178 ALA A CB 1347 N N . ASP A 179 ? 0.1120 0.1049 0.0945 -0.0183 -0.0142 0.0063 179 ASP A N 1348 C CA . ASP A 179 ? 0.1196 0.1162 0.1091 -0.0369 -0.0229 0.0199 179 ASP A CA 1349 C C . ASP A 179 ? 0.1141 0.1506 0.1090 -0.0414 -0.0177 0.0184 179 ASP A C 1350 O O . ASP A 179 ? 0.1326 0.2204 0.1509 -0.0667 0.0057 0.0544 179 ASP A O 1351 C CB . ASP A 179 ? 0.1546 0.1194 0.1263 -0.0409 -0.0409 0.0158 179 ASP A CB 1352 C CG . ASP A 179 ? 0.2323 0.1226 0.1816 0.0127 -0.0964 -0.0265 179 ASP A CG 1353 O OD1 . ASP A 179 ? 0.2448 0.1533 0.1825 0.0155 -0.1105 -0.0085 179 ASP A OD1 1354 O OD2 . ASP A 179 ? 0.2677 0.2649 0.2228 0.0899 -0.1262 -0.1059 179 ASP A OD2 1355 N N . LYS A 180 ? 0.0979 0.1431 0.1003 -0.0221 -0.0027 0.0065 180 LYS A N 1356 C CA . LYS A 180 ? 0.0915 0.1753 0.1272 -0.0207 -0.0119 -0.0088 180 LYS A CA 1357 C C . LYS A 180 ? 0.0907 0.1826 0.1287 -0.0088 -0.0089 -0.0202 180 LYS A C 1358 O O . LYS A 180 ? 0.1032 0.2140 0.2150 -0.0101 -0.0069 -0.0398 180 LYS A O 1359 C CB . LYS A 180 ? 0.1056 0.2120 0.1300 -0.0027 -0.0344 -0.0242 180 LYS A CB 1360 C CG . LYS A 180 ? 0.1167 0.1980 0.1214 0.0062 -0.0280 -0.0058 180 LYS A CG 1361 C CD . LYS A 180 ? 0.1664 0.2148 0.1450 -0.0306 0.0036 -0.0323 180 LYS A CD 1362 C CE . LYS A 180 ? 0.3982 0.2471 0.1632 -0.1000 0.0454 -0.0653 180 LYS A CE 1363 N NZ . LYS A 180 ? 0.5607 0.2550 0.3871 -0.1875 0.0008 -0.0180 180 LYS A NZ 1364 N N . VAL A 181 ? 0.1020 0.1494 0.1216 -0.0093 -0.0121 -0.0067 181 VAL A N 1365 C CA . VAL A 181 ? 0.1077 0.1646 0.1044 0.0005 -0.0095 -0.0135 181 VAL A CA 1366 C C . VAL A 181 ? 0.0865 0.1760 0.1223 0.0066 -0.0073 -0.0014 181 VAL A C 1367 O O . VAL A 181 ? 0.1083 0.1761 0.1479 0.0053 0.0120 -0.0150 181 VAL A O 1368 C CB . VAL A 181 ? 0.1022 0.1472 0.1302 0.0018 0.0007 -0.0159 181 VAL A CB 1369 C CG1 . VAL A 181 ? 0.1161 0.1541 0.1380 0.0103 -0.0146 -0.0304 181 VAL A CG1 1370 C CG2 . VAL A 181 ? 0.1199 0.1609 0.1373 -0.0159 0.0077 -0.0265 181 VAL A CG2 1371 N N . ASP A 182 ? 0.1043 0.1825 0.1149 -0.0059 -0.0067 0.0005 182 ASP A N 1372 C CA . ASP A 182 ? 0.1501 0.1743 0.1071 -0.0003 -0.0082 -0.0107 182 ASP A CA 1373 C C . ASP A 182 ? 0.3458 0.1408 0.1228 -0.0118 0.0377 0.0108 182 ASP A C 1374 O O . ASP A 182 ? 0.6189 0.1933 0.3330 0.1211 0.2902 0.1132 182 ASP A O 1375 C CB A ASP A 182 ? 0.1211 0.3345 0.1044 0.0517 0.0036 -0.0271 182 ASP A CB 1376 C CB B ASP A 182 ? 0.1815 0.3612 0.1074 0.0761 -0.0255 -0.0641 182 ASP A CB 1377 C CG A ASP A 182 ? 0.1131 0.1433 0.1075 0.0141 -0.0029 -0.0072 182 ASP A CG 1378 C CG B ASP A 182 ? 0.2945 0.3033 0.1025 0.0560 -0.0183 -0.0452 182 ASP A CG 1379 O OD1 A ASP A 182 ? 0.1397 0.2570 0.1961 -0.0513 0.0623 -0.1495 182 ASP A OD1 1380 O OD1 B ASP A 182 ? 0.2212 0.2918 0.2384 0.0059 0.0676 -0.1227 182 ASP A OD1 1381 O OD2 A ASP A 182 ? 0.0953 0.1457 0.0994 -0.0035 0.0163 -0.0042 182 ASP A OD2 1382 O OD2 B ASP A 182 ? 0.2208 0.2482 0.1321 0.0546 0.0437 0.0058 182 ASP A OD2 1383 N N . GLN A 183 ? 0.3293 0.1962 0.3598 -0.1081 -0.1988 0.0920 183 GLN A N 1384 C CA . GLN A 183 ? 0.5674 0.2798 0.3873 -0.2411 -0.2975 0.1161 183 GLN A CA 1385 C C . GLN A 183 ? 0.4968 0.2424 0.2513 -0.2008 -0.1289 0.0749 183 GLN A C 1386 O O . GLN A 183 ? 1.1370 0.2260 0.2571 -0.1854 -0.2032 0.0371 183 GLN A O 1387 C CB . GLN A 183 ? 0.5088 0.4898 0.7769 -0.3508 -0.3849 0.3273 183 GLN A CB 1388 C CG . GLN A 183 ? 0.4916 1.1013 1.0133 -0.0455 -0.1280 0.2911 183 GLN A CG 1389 C CD . GLN A 183 ? 0.8433 0.9003 0.8362 0.0697 -0.3109 -0.0121 183 GLN A CD 1390 O OE1 . GLN A 183 ? 1.0274 0.7447 1.2438 -0.0290 -0.5107 -0.0027 183 GLN A OE1 1391 N NE2 . GLN A 183 ? 0.6560 0.8107 0.4427 -0.2299 -0.1056 0.1542 183 GLN A NE2 1392 N N . THR A 184 ? 0.1666 0.2208 0.1831 -0.0136 0.0174 -0.0090 184 THR A N 1393 C CA . THR A 184 ? 0.1552 0.3742 0.1699 -0.0153 0.0421 0.0476 184 THR A CA 1394 C C . THR A 184 ? 0.1744 0.3275 0.2563 0.0004 0.0617 0.1237 184 THR A C 1395 O O . THR A 184 ? 0.2084 0.3435 0.2389 -0.0199 0.0345 0.0977 184 THR A O 1396 C CB . THR A 184 ? 0.2004 0.3882 0.1911 -0.0521 0.0449 0.0171 184 THR A CB 1397 O OG1 . THR A 184 ? 0.2225 0.4198 0.3272 -0.0853 0.1013 -0.0379 184 THR A OG1 1398 C CG2 . THR A 184 ? 0.1869 0.9176 0.2857 0.0683 0.0694 -0.2045 184 THR A CG2 1399 N N . ILE A 185 ? 0.1430 0.1898 0.1467 -0.0239 0.0141 -0.0072 185 ILE A N 1400 C CA . ILE A 185 ? 0.1552 0.1567 0.1281 -0.0237 0.0195 -0.0038 185 ILE A CA 1401 C C . ILE A 185 ? 0.1509 0.1593 0.1335 -0.0533 0.0213 -0.0157 185 ILE A C 1402 O O . ILE A 185 ? 0.1950 0.2474 0.1377 -0.0579 -0.0107 0.0115 185 ILE A O 1403 C CB . ILE A 185 ? 0.1501 0.1690 0.0954 -0.0293 0.0074 0.0156 185 ILE A CB 1404 C CG1 . ILE A 185 ? 0.1500 0.1465 0.1512 -0.0166 -0.0306 0.0033 185 ILE A CG1 1405 C CG2 . ILE A 185 ? 0.2231 0.2414 0.1124 -0.0606 0.0275 -0.0180 185 ILE A CG2 1406 C CD1 . ILE A 185 ? 0.1554 0.1558 0.1232 -0.0264 0.0006 -0.0166 185 ILE A CD1 1407 N N . ASP A 186 ? 0.1612 0.1646 0.1773 -0.0554 0.0547 -0.0225 186 ASP A N 1408 C CA . ASP A 186 ? 0.1450 0.2800 0.1997 -0.0662 0.0437 -0.0888 186 ASP A CA 1409 C C . ASP A 186 ? 0.1136 0.1396 0.1276 -0.0397 0.0033 -0.0024 186 ASP A C 1410 O O . ASP A 186 ? 0.1759 0.2164 0.0964 -0.0839 0.0080 0.0056 186 ASP A O 1411 C CB . ASP A 186 ? 0.3037 0.3570 0.4673 -0.2388 0.2300 -0.2642 186 ASP A CB 1412 C CG . ASP A 186 ? 0.4496 0.6350 1.0176 -0.2696 -0.0371 -0.4353 186 ASP A CG 1413 O OD1 . ASP A 186 ? 0.2520 0.7346 1.2825 -0.1744 0.0714 -0.5378 186 ASP A OD1 1414 O OD2 . ASP A 186 ? 0.2988 0.6764 1.4817 -0.2387 0.1231 -0.6693 186 ASP A OD2 1415 N N . ALA A 187 ? 0.1161 0.1145 0.1150 -0.0155 -0.0188 0.0011 187 ALA A N 1416 C CA . ALA A 187 ? 0.1156 0.1077 0.1026 -0.0271 -0.0052 0.0106 187 ALA A CA 1417 C C . ALA A 187 ? 0.1180 0.1034 0.0643 -0.0100 0.0054 0.0077 187 ALA A C 1418 O O . ALA A 187 ? 0.1221 0.1090 0.0958 -0.0166 -0.0140 0.0159 187 ALA A O 1419 C CB . ALA A 187 ? 0.1231 0.1086 0.1551 -0.0167 -0.0057 -0.0180 187 ALA A CB 1420 N N . ALA A 188 ? 0.1059 0.1033 0.0767 -0.0167 0.0000 0.0087 188 ALA A N 1421 C CA . ALA A 188 ? 0.0931 0.1035 0.0694 -0.0059 -0.0050 0.0071 188 ALA A CA 1422 C C . ALA A 188 ? 0.1041 0.0895 0.0543 -0.0127 -0.0036 -0.0024 188 ALA A C 1423 O O . ALA A 188 ? 0.0817 0.0880 0.0694 -0.0026 -0.0009 0.0041 188 ALA A O 1424 C CB . ALA A 188 ? 0.1064 0.0950 0.0955 -0.0055 0.0145 0.0142 188 ALA A CB 1425 N N . PRO A 189 ? 0.0929 0.0850 0.0688 -0.0052 -0.0071 0.0075 189 PRO A N 1426 C CA . PRO A 189 ? 0.0987 0.0754 0.0836 -0.0016 -0.0039 0.0020 189 PRO A CA 1427 C C . PRO A 189 ? 0.0795 0.0755 0.0713 -0.0028 -0.0003 -0.0008 189 PRO A C 1428 O O . PRO A 189 ? 0.1033 0.0775 0.0677 -0.0054 -0.0010 -0.0022 189 PRO A O 1429 C CB . PRO A 189 ? 0.0938 0.0883 0.0844 -0.0014 -0.0101 0.0048 189 PRO A CB 1430 C CG . PRO A 189 ? 0.1006 0.0914 0.0829 -0.0062 -0.0142 -0.0028 189 PRO A CG 1431 C CD . PRO A 189 ? 0.1000 0.0947 0.0800 -0.0011 -0.0045 0.0050 189 PRO A CD 1432 N N . PHE A 190 ? 0.0846 0.0756 0.0725 -0.0029 0.0034 -0.0070 190 PHE A N 1433 C CA . PHE A 190 ? 0.0843 0.0707 0.0736 -0.0090 0.0028 -0.0005 190 PHE A CA 1434 C C . PHE A 190 ? 0.0916 0.0712 0.0661 -0.0015 -0.0066 0.0064 190 PHE A C 1435 O O . PHE A 190 ? 0.0952 0.0678 0.0992 -0.0003 -0.0090 -0.0044 190 PHE A O 1436 C CB . PHE A 190 ? 0.0789 0.0894 0.0867 -0.0054 -0.0006 0.0064 190 PHE A CB 1437 C CG . PHE A 190 ? 0.0900 0.0807 0.0733 -0.0049 -0.0043 -0.0034 190 PHE A CG 1438 C CD1 . PHE A 190 ? 0.0913 0.1145 0.0823 -0.0135 -0.0019 -0.0034 190 PHE A CD1 1439 C CD2 . PHE A 190 ? 0.1089 0.0937 0.0761 0.0058 -0.0093 -0.0041 190 PHE A CD2 1440 C CE1 . PHE A 190 ? 0.0987 0.1165 0.0848 -0.0039 -0.0092 0.0223 190 PHE A CE1 1441 C CE2 . PHE A 190 ? 0.1238 0.1241 0.0700 -0.0117 -0.0175 -0.0056 190 PHE A CE2 1442 C CZ . PHE A 190 ? 0.0950 0.0908 0.0985 -0.0036 -0.0166 0.0073 190 PHE A CZ 1443 N N . ASP A 191 ? 0.0957 0.0651 0.0706 0.0065 -0.0091 -0.0033 191 ASP A N 1444 C CA . ASP A 191 ? 0.0959 0.0792 0.0582 -0.0113 -0.0161 -0.0056 191 ASP A CA 1445 C C . ASP A 191 ? 0.0906 0.0830 0.0619 0.0021 -0.0009 -0.0014 191 ASP A C 1446 O O . ASP A 191 ? 0.0979 0.0730 0.0896 0.0006 -0.0079 -0.0010 191 ASP A O 1447 C CB . ASP A 191 ? 0.0969 0.0741 0.0714 -0.0028 -0.0091 -0.0039 191 ASP A CB 1448 C CG . ASP A 191 ? 0.0753 0.0640 0.0846 -0.0060 -0.0154 0.0074 191 ASP A CG 1449 O OD1 . ASP A 191 ? 0.1020 0.0617 0.0774 0.0014 -0.0087 0.0034 191 ASP A OD1 1450 O OD2 . ASP A 191 ? 0.0890 0.0774 0.0740 -0.0043 -0.0122 -0.0007 191 ASP A OD2 1451 N N . SER A 192 ? 0.0978 0.0725 0.0817 -0.0020 -0.0139 0.0058 192 SER A N 1452 C CA . SER A 192 ? 0.0986 0.0828 0.0722 -0.0020 -0.0067 0.0054 192 SER A CA 1453 C C . SER A 192 ? 0.0913 0.0833 0.0783 -0.0049 -0.0136 0.0084 192 SER A C 1454 O O . SER A 192 ? 0.1346 0.0847 0.0674 0.0062 -0.0103 0.0032 192 SER A O 1455 C CB . SER A 192 ? 0.1136 0.0900 0.0795 -0.0038 -0.0147 -0.0009 192 SER A CB 1456 O OG . SER A 192 ? 0.0934 0.1079 0.1050 0.0007 -0.0168 -0.0032 192 SER A OG 1457 N N . THR A 193 ? 0.0958 0.0763 0.0735 0.0046 -0.0100 0.0049 193 THR A N 1458 C CA . THR A 193 ? 0.0979 0.0653 0.0849 -0.0014 -0.0171 -0.0043 193 THR A CA 1459 C C . THR A 193 ? 0.0965 0.0648 0.0856 -0.0008 -0.0104 0.0018 193 THR A C 1460 O O . THR A 193 ? 0.0786 0.0772 0.0782 0.0034 -0.0063 0.0040 193 THR A O 1461 C CB . THR A 193 ? 0.0921 0.0875 0.0826 0.0035 -0.0182 0.0120 193 THR A CB 1462 O OG1 . THR A 193 ? 0.1135 0.0695 0.0743 0.0043 -0.0183 -0.0023 193 THR A OG1 1463 C CG2 . THR A 193 ? 0.0946 0.0888 0.0847 0.0005 -0.0164 0.0029 193 THR A CG2 1464 N N . PRO A 194 ? 0.0930 0.0610 0.0795 0.0021 -0.0075 0.0013 194 PRO A N 1465 C CA . PRO A 194 ? 0.0889 0.0750 0.0793 0.0044 -0.0054 -0.0017 194 PRO A CA 1466 C C . PRO A 194 ? 0.0890 0.0738 0.0740 -0.0034 -0.0102 0.0031 194 PRO A C 1467 O O . PRO A 194 ? 0.0865 0.0829 0.0817 -0.0031 -0.0212 -0.0026 194 PRO A O 1468 C CB . PRO A 194 ? 0.0901 0.1009 0.0797 0.0065 -0.0030 -0.0063 194 PRO A CB 1469 C CG . PRO A 194 ? 0.1046 0.0728 0.0856 -0.0011 -0.0031 -0.0024 194 PRO A CG 1470 C CD . PRO A 194 ? 0.1060 0.0791 0.0853 -0.0093 -0.0090 0.0018 194 PRO A CD 1471 N N . PHE A 195 ? 0.0935 0.0722 0.0732 0.0069 -0.0166 -0.0037 195 PHE A N 1472 C CA . PHE A 195 ? 0.0932 0.0762 0.0748 0.0000 -0.0165 -0.0032 195 PHE A CA 1473 C C . PHE A 195 ? 0.0925 0.0853 0.0857 0.0038 -0.0113 -0.0058 195 PHE A C 1474 O O . PHE A 195 ? 0.1081 0.0798 0.0988 0.0025 -0.0049 -0.0071 195 PHE A O 1475 C CB . PHE A 195 ? 0.1177 0.0800 0.0859 0.0115 -0.0064 -0.0034 195 PHE A CB 1476 C CG . PHE A 195 ? 0.1360 0.0745 0.0763 -0.0020 -0.0069 0.0045 195 PHE A CG 1477 C CD1 . PHE A 195 ? 0.1375 0.1096 0.0992 -0.0165 -0.0068 0.0178 195 PHE A CD1 1478 C CD2 . PHE A 195 ? 0.1434 0.1270 0.0932 0.0256 -0.0028 0.0238 195 PHE A CD2 1479 C CE1 . PHE A 195 ? 0.1470 0.1163 0.1607 -0.0282 0.0078 0.0244 195 PHE A CE1 1480 C CE2 . PHE A 195 ? 0.1780 0.2135 0.1117 0.0451 0.0321 0.0623 195 PHE A CE2 1481 C CZ . PHE A 195 ? 0.1596 0.1279 0.1619 0.0181 0.0556 0.0430 195 PHE A CZ 1482 N N . THR A 196 ? 0.0867 0.0917 0.0735 0.0008 -0.0024 -0.0117 196 THR A N 1483 C CA . THR A 196 ? 0.0896 0.0864 0.0864 0.0041 -0.0008 0.0096 196 THR A CA 1484 C C . THR A 196 ? 0.0728 0.0859 0.0743 0.0027 -0.0060 -0.0046 196 THR A C 1485 O O . THR A 196 ? 0.0907 0.0810 0.0806 0.0098 -0.0003 0.0060 196 THR A O 1486 C CB . THR A 196 ? 0.0937 0.1023 0.1028 0.0036 -0.0172 0.0101 196 THR A CB 1487 O OG1 . THR A 196 ? 0.1331 0.1252 0.1196 -0.0064 -0.0353 0.0339 196 THR A OG1 1488 C CG2 . THR A 196 ? 0.1126 0.0841 0.1283 -0.0032 -0.0128 0.0025 196 THR A CG2 1489 N N . PHE A 197 ? 0.0897 0.0668 0.0804 0.0103 0.0026 -0.0039 197 PHE A N 1490 C CA . PHE A 197 ? 0.1003 0.0780 0.0660 0.0125 -0.0065 -0.0068 197 PHE A CA 1491 C C . PHE A 197 ? 0.0938 0.0765 0.0680 0.0107 -0.0124 0.0017 197 PHE A C 1492 O O . PHE A 197 ? 0.1055 0.1304 0.0962 -0.0131 0.0090 -0.0192 197 PHE A O 1493 C CB . PHE A 197 ? 0.1058 0.0797 0.0781 0.0122 -0.0133 -0.0102 197 PHE A CB 1494 C CG . PHE A 197 ? 0.1055 0.0836 0.0751 0.0072 -0.0045 -0.0100 197 PHE A CG 1495 C CD1 . PHE A 197 ? 0.1516 0.0702 0.1036 -0.0113 -0.0133 -0.0055 197 PHE A CD1 1496 C CD2 . PHE A 197 ? 0.0949 0.1306 0.0991 0.0257 0.0022 0.0030 197 PHE A CD2 1497 C CE1 . PHE A 197 ? 0.1967 0.0906 0.0960 -0.0029 -0.0152 -0.0004 197 PHE A CE1 1498 C CE2 . PHE A 197 ? 0.1172 0.1739 0.1189 0.0597 0.0201 0.0212 197 PHE A CE2 1499 C CZ . PHE A 197 ? 0.1812 0.1295 0.1077 0.0348 -0.0152 0.0062 197 PHE A CZ 1500 N N . ASP A 198 ? 0.1013 0.0844 0.0875 -0.0084 0.0027 -0.0136 198 ASP A N 1501 C CA . ASP A 198 ? 0.0826 0.0884 0.0893 -0.0024 -0.0034 -0.0097 198 ASP A CA 1502 C C . ASP A 198 ? 0.0813 0.0922 0.0573 0.0010 -0.0082 -0.0026 198 ASP A C 1503 O O . ASP A 198 ? 0.0912 0.0772 0.0785 -0.0058 -0.0183 0.0031 198 ASP A O 1504 C CB . ASP A 198 ? 0.1054 0.0631 0.0868 0.0012 -0.0041 -0.0070 198 ASP A CB 1505 C CG . ASP A 198 ? 0.1075 0.0616 0.0786 0.0147 -0.0159 -0.0029 198 ASP A CG 1506 O OD1 . ASP A 198 ? 0.0922 0.0688 0.0816 0.0112 -0.0109 0.0003 198 ASP A OD1 1507 O OD2 . ASP A 198 ? 0.0982 0.1032 0.0903 0.0205 -0.0070 0.0137 198 ASP A OD2 1508 N N . THR A 199 ? 0.0676 0.0810 0.0868 0.0053 -0.0113 0.0052 199 THR A N 1509 C CA . THR A 199 ? 0.0785 0.0745 0.0819 0.0014 -0.0171 0.0018 199 THR A CA 1510 C C . THR A 199 ? 0.0735 0.0651 0.0878 -0.0018 -0.0139 0.0019 199 THR A C 1511 O O . THR A 199 ? 0.0868 0.0655 0.0989 0.0013 -0.0115 0.0049 199 THR A O 1512 C CB . THR A 199 ? 0.0761 0.0885 0.0832 -0.0091 -0.0139 0.0011 199 THR A CB 1513 O OG1 . THR A 199 ? 0.0961 0.0809 0.0846 -0.0142 -0.0196 0.0015 199 THR A OG1 1514 C CG2 . THR A 199 ? 0.0967 0.0856 0.0899 0.0058 -0.0031 -0.0114 199 THR A CG2 1515 N N . GLN A 200 ? 0.0875 0.0625 0.0826 0.0049 -0.0108 -0.0011 200 GLN A N 1516 C CA . GLN A 200 ? 0.0850 0.0707 0.0765 0.0045 -0.0158 -0.0037 200 GLN A CA 1517 C C . GLN A 200 ? 0.0989 0.0674 0.0674 0.0036 -0.0091 -0.0025 200 GLN A C 1518 O O . GLN A 200 ? 0.0953 0.0699 0.0804 0.0068 -0.0114 0.0020 200 GLN A O 1519 C CB . GLN A 200 ? 0.1001 0.0800 0.0772 0.0092 -0.0161 0.0046 200 GLN A CB 1520 C CG . GLN A 200 ? 0.1013 0.0707 0.1109 0.0108 -0.0285 0.0072 200 GLN A CG 1521 C CD . GLN A 200 ? 0.0931 0.0808 0.1025 0.0049 -0.0189 0.0052 200 GLN A CD 1522 O OE1 . GLN A 200 ? 0.0971 0.1318 0.1054 -0.0013 -0.0160 -0.0137 200 GLN A OE1 1523 N NE2 . GLN A 200 ? 0.0879 0.1063 0.1035 -0.0056 -0.0176 -0.0024 200 GLN A NE2 1524 N N . VAL A 201 ? 0.0826 0.0720 0.0853 0.0009 -0.0139 -0.0065 201 VAL A N 1525 C CA . VAL A 201 ? 0.0943 0.0639 0.0751 0.0007 -0.0106 0.0008 201 VAL A CA 1526 C C . VAL A 201 ? 0.0760 0.0785 0.0729 -0.0017 -0.0171 -0.0030 201 VAL A C 1527 O O . VAL A 201 ? 0.0837 0.0649 0.0946 0.0067 -0.0040 0.0026 201 VAL A O 1528 C CB . VAL A 201 ? 0.0694 0.0900 0.0841 -0.0035 -0.0079 -0.0125 201 VAL A CB 1529 C CG1 . VAL A 201 ? 0.1239 0.0801 0.0767 -0.0118 -0.0101 -0.0024 201 VAL A CG1 1530 C CG2 . VAL A 201 ? 0.0944 0.0931 0.1027 0.0002 -0.0189 -0.0049 201 VAL A CG2 1531 N N . PHE A 202 ? 0.0827 0.0674 0.0837 -0.0017 -0.0083 -0.0021 202 PHE A N 1532 C CA . PHE A 202 ? 0.0980 0.0692 0.0802 -0.0033 -0.0160 0.0032 202 PHE A CA 1533 C C . PHE A 202 ? 0.0943 0.0593 0.0760 -0.0125 -0.0101 -0.0001 202 PHE A C 1534 O O . PHE A 202 ? 0.1079 0.0690 0.0934 0.0095 -0.0266 -0.0030 202 PHE A O 1535 C CB . PHE A 202 ? 0.0883 0.0904 0.0818 -0.0152 -0.0103 -0.0013 202 PHE A CB 1536 C CG . PHE A 202 ? 0.0897 0.0646 0.0811 -0.0071 -0.0070 0.0018 202 PHE A CG 1537 C CD1 . PHE A 202 ? 0.0679 0.0916 0.0893 0.0031 -0.0076 -0.0086 202 PHE A CD1 1538 C CD2 . PHE A 202 ? 0.0996 0.0736 0.0742 -0.0019 -0.0037 0.0068 202 PHE A CD2 1539 C CE1 . PHE A 202 ? 0.0976 0.0805 0.0829 -0.0101 -0.0078 -0.0072 202 PHE A CE1 1540 C CE2 . PHE A 202 ? 0.0974 0.1002 0.0781 0.0068 -0.0050 0.0136 202 PHE A CE2 1541 C CZ . PHE A 202 ? 0.1106 0.0848 0.0816 -0.0122 -0.0163 0.0030 202 PHE A CZ 1542 N N . LEU A 203 ? 0.0825 0.0737 0.0866 0.0011 -0.0156 0.0039 203 LEU A N 1543 C CA . LEU A 203 ? 0.0806 0.0833 0.0849 -0.0115 -0.0184 -0.0002 203 LEU A CA 1544 C C . LEU A 203 ? 0.0844 0.0639 0.0793 0.0032 -0.0249 -0.0006 203 LEU A C 1545 O O . LEU A 203 ? 0.0999 0.0745 0.0875 -0.0013 -0.0148 -0.0071 203 LEU A O 1546 C CB . LEU A 203 ? 0.0887 0.0971 0.0858 0.0009 -0.0158 0.0040 203 LEU A CB 1547 C CG . LEU A 203 ? 0.1159 0.0932 0.1013 0.0039 -0.0343 -0.0001 203 LEU A CG 1548 C CD1 A LEU A 203 ? 0.0827 0.0910 0.0638 0.0085 -0.0017 0.0055 203 LEU A CD1 1549 C CD1 B LEU A 203 ? 0.2434 0.2431 0.3547 0.0063 -0.0542 -0.2151 203 LEU A CD1 1550 C CD2 A LEU A 203 ? 0.1217 0.0752 0.0813 -0.0004 -0.0243 0.0023 203 LEU A CD2 1551 C CD2 B LEU A 203 ? 0.1510 0.3537 0.1250 0.0933 -0.0609 0.0134 203 LEU A CD2 1552 N N . GLU A 204 ? 0.0915 0.0711 0.0784 -0.0066 -0.0068 0.0027 204 GLU A N 1553 C CA . GLU A 204 ? 0.0898 0.0743 0.0762 -0.0046 -0.0133 0.0019 204 GLU A CA 1554 C C . GLU A 204 ? 0.0836 0.0811 0.0763 -0.0058 -0.0148 -0.0035 204 GLU A C 1555 O O . GLU A 204 ? 0.0964 0.0872 0.0758 0.0011 -0.0040 -0.0011 204 GLU A O 1556 C CB . GLU A 204 ? 0.1001 0.0749 0.0762 -0.0135 -0.0116 0.0045 204 GLU A CB 1557 C CG . GLU A 204 ? 0.1022 0.0760 0.0788 -0.0015 -0.0118 -0.0037 204 GLU A CG 1558 C CD . GLU A 204 ? 0.0931 0.0765 0.0834 -0.0050 -0.0161 -0.0041 204 GLU A CD 1559 O OE1 . GLU A 204 ? 0.1039 0.0759 0.0959 -0.0071 -0.0133 -0.0003 204 GLU A OE1 1560 O OE2 . GLU A 204 ? 0.0972 0.0769 0.1190 0.0021 -0.0111 0.0104 204 GLU A OE2 1561 N N . VAL A 205 ? 0.0844 0.0745 0.0775 0.0039 -0.0099 -0.0006 205 VAL A N 1562 C CA . VAL A 205 ? 0.0931 0.0778 0.0698 0.0058 -0.0091 -0.0076 205 VAL A CA 1563 C C . VAL A 205 ? 0.0929 0.0752 0.0762 -0.0042 -0.0160 -0.0024 205 VAL A C 1564 O O . VAL A 205 ? 0.1021 0.0860 0.0802 0.0115 -0.0103 -0.0130 205 VAL A O 1565 C CB . VAL A 205 ? 0.0878 0.0921 0.0743 -0.0020 -0.0111 -0.0041 205 VAL A CB 1566 C CG1 . VAL A 205 ? 0.1051 0.0991 0.0894 0.0054 -0.0257 -0.0016 205 VAL A CG1 1567 C CG2 . VAL A 205 ? 0.0780 0.0921 0.0870 -0.0035 -0.0096 -0.0125 205 VAL A CG2 1568 N N . LEU A 206 ? 0.0969 0.0729 0.0911 -0.0019 -0.0132 -0.0164 206 LEU A N 1569 C CA . LEU A 206 ? 0.1069 0.0719 0.0900 -0.0071 -0.0104 -0.0023 206 LEU A CA 1570 C C . LEU A 206 ? 0.1153 0.0772 0.0906 -0.0128 -0.0194 -0.0087 206 LEU A C 1571 O O . LEU A 206 ? 0.1830 0.0933 0.0981 -0.0281 -0.0063 -0.0195 206 LEU A O 1572 C CB . LEU A 206 ? 0.1068 0.0812 0.0966 -0.0105 -0.0133 -0.0128 206 LEU A CB 1573 C CG . LEU A 206 ? 0.1285 0.0837 0.0881 -0.0339 -0.0057 -0.0149 206 LEU A CG 1574 C CD1 . LEU A 206 ? 0.1289 0.1246 0.1235 -0.0433 0.0046 -0.0160 206 LEU A CD1 1575 C CD2 . LEU A 206 ? 0.1343 0.1130 0.1137 -0.0192 -0.0221 0.0119 206 LEU A CD2 1576 N N . LEU A 207 ? 0.1116 0.0929 0.0726 -0.0098 -0.0128 -0.0068 207 LEU A N 1577 C CA . LEU A 207 ? 0.1063 0.1082 0.0773 -0.0075 -0.0124 -0.0082 207 LEU A CA 1578 C C . LEU A 207 ? 0.1094 0.1077 0.0813 -0.0038 -0.0100 -0.0146 207 LEU A C 1579 O O . LEU A 207 ? 0.1100 0.1409 0.1175 -0.0167 -0.0122 -0.0464 207 LEU A O 1580 C CB . LEU A 207 ? 0.1231 0.1023 0.0747 -0.0007 -0.0097 -0.0083 207 LEU A CB 1581 C CG . LEU A 207 ? 0.1193 0.1093 0.0938 0.0058 -0.0254 -0.0120 207 LEU A CG 1582 C CD1 . LEU A 207 ? 0.2063 0.1103 0.1185 0.0336 -0.0479 -0.0247 207 LEU A CD1 1583 C CD2 . LEU A 207 ? 0.1202 0.1519 0.2164 0.0127 -0.0505 -0.0619 207 LEU A CD2 1584 N N . LYS A 208 ? 0.1261 0.1431 0.0809 -0.0200 0.0068 -0.0143 208 LYS A N 1585 C CA . LYS A 208 ? 0.1291 0.1247 0.1178 -0.0270 0.0254 -0.0282 208 LYS A CA 1586 C C . LYS A 208 ? 0.1251 0.1043 0.1056 -0.0149 0.0128 -0.0172 208 LYS A C 1587 O O . LYS A 208 ? 0.1274 0.1267 0.1246 -0.0074 0.0130 -0.0060 208 LYS A O 1588 C CB . LYS A 208 ? 0.1924 0.1285 0.1587 -0.0459 0.0440 -0.0598 208 LYS A CB 1589 C CG . LYS A 208 ? 0.2907 0.2662 0.2318 -0.1065 0.1407 -0.1445 208 LYS A CG 1590 C CD . LYS A 208 ? 0.6546 0.3655 0.2135 -0.1206 0.1615 -0.1630 208 LYS A CD 1591 C CE . LYS A 208 ? 1.1439 0.4849 0.5658 -0.2962 -0.3888 -0.0729 208 LYS A CE 1592 N NZ . LYS A 208 ? 1.9335 0.3322 0.8373 -0.4211 -0.7899 -0.0338 208 LYS A NZ 1593 N N . GLY A 209 ? 0.1270 0.0996 0.1188 -0.0091 0.0164 -0.0085 209 GLY A N 1594 C CA . GLY A 209 ? 0.1368 0.1176 0.1145 -0.0256 0.0152 -0.0098 209 GLY A CA 1595 C C . GLY A 209 ? 0.1129 0.1091 0.1181 -0.0123 0.0223 -0.0136 209 GLY A C 1596 O O . GLY A 209 ? 0.1969 0.1155 0.1445 -0.0199 0.0629 -0.0236 209 GLY A O 1597 N N . VAL A 210 ? 0.1450 0.1102 0.0985 -0.0205 0.0187 -0.0218 210 VAL A N 1598 C CA . VAL A 210 ? 0.1531 0.1168 0.0936 -0.0216 0.0190 -0.0288 210 VAL A CA 1599 C C . VAL A 210 ? 0.1287 0.1603 0.1011 -0.0232 0.0267 -0.0255 210 VAL A C 1600 O O . VAL A 210 ? 0.1661 0.1865 0.1103 -0.0627 0.0344 -0.0368 210 VAL A O 1601 C CB . VAL A 210 ? 0.1445 0.1711 0.0970 -0.0300 0.0114 -0.0357 210 VAL A CB 1602 C CG1 . VAL A 210 ? 0.1690 0.2021 0.1201 -0.0543 -0.0053 -0.0017 210 VAL A CG1 1603 C CG2 . VAL A 210 ? 0.1523 0.1810 0.1323 0.0017 0.0128 -0.0239 210 VAL A CG2 1604 N N . GLY A 211 ? 0.1228 0.1132 0.1066 -0.0117 0.0126 -0.0099 211 GLY A N 1605 C CA . GLY A 211 ? 0.1347 0.1081 0.1062 -0.0195 0.0188 -0.0020 211 GLY A CA 1606 C C . GLY A 211 ? 0.0937 0.1310 0.1135 -0.0131 0.0165 -0.0054 211 GLY A C 1607 O O . GLY A 211 ? 0.1119 0.1525 0.1117 -0.0373 0.0064 0.0076 211 GLY A O 1608 N N . PHE A 212 ? 0.1311 0.1291 0.1013 -0.0279 0.0218 -0.0119 212 PHE A N 1609 C CA . PHE A 212 ? 0.1132 0.1188 0.0927 -0.0098 0.0129 -0.0044 212 PHE A CA 1610 C C . PHE A 212 ? 0.1158 0.1147 0.1050 -0.0165 0.0135 0.0001 212 PHE A C 1611 O O . PHE A 212 ? 0.1507 0.1290 0.0974 -0.0187 0.0175 0.0005 212 PHE A O 1612 C CB . PHE A 212 ? 0.1240 0.1412 0.0970 -0.0012 0.0198 -0.0004 212 PHE A CB 1613 C CG . PHE A 212 ? 0.1157 0.1286 0.1429 0.0118 0.0123 -0.0125 212 PHE A CG 1614 C CD1 . PHE A 212 ? 0.1556 0.1634 0.1709 -0.0017 -0.0110 -0.0485 212 PHE A CD1 1615 C CD2 . PHE A 212 ? 0.1189 0.1331 0.1546 0.0145 0.0323 0.0068 212 PHE A CD2 1616 C CE1 . PHE A 212 ? 0.1397 0.1560 0.2272 0.0085 0.0089 -0.0679 212 PHE A CE1 1617 C CE2 . PHE A 212 ? 0.1146 0.1476 0.1847 0.0067 0.0319 0.0257 212 PHE A CE2 1618 C CZ . PHE A 212 ? 0.1315 0.1375 0.2596 0.0094 0.0332 -0.0122 212 PHE A CZ 1619 N N . PRO A 213 ? 0.1156 0.1176 0.0892 0.0009 0.0098 0.0082 213 PRO A N 1620 C CA . PRO A 213 ? 0.1277 0.1197 0.0991 -0.0039 0.0134 0.0051 213 PRO A CA 1621 C C . PRO A 213 ? 0.1407 0.1330 0.0903 -0.0146 0.0105 0.0104 213 PRO A C 1622 O O . PRO A 213 ? 0.1502 0.1436 0.1178 -0.0244 0.0030 0.0237 213 PRO A O 1623 C CB . PRO A 213 ? 0.1155 0.1201 0.0929 -0.0125 0.0058 -0.0098 213 PRO A CB 1624 C CG . PRO A 213 ? 0.1115 0.1271 0.0917 -0.0293 0.0109 0.0005 213 PRO A CG 1625 C CD . PRO A 213 ? 0.1146 0.1178 0.0917 -0.0179 0.0096 0.0043 213 PRO A CD 1626 N N . GLY A 214 ? 0.1268 0.1424 0.0929 -0.0219 0.0099 0.0051 214 GLY A N 1627 C CA . GLY A 214 ? 0.1366 0.1735 0.1215 -0.0488 0.0170 -0.0058 214 GLY A CA 1628 C C . GLY A 214 ? 0.1332 0.2502 0.1222 -0.0432 0.0367 -0.0451 214 GLY A C 1629 O O . GLY A 214 ? 0.1764 0.3544 0.1448 -0.0048 0.0212 -0.0981 214 GLY A O 1630 N N . SER A 215 ? 0.1619 0.2634 0.1414 -0.0080 0.0229 -0.0682 215 SER A N 1631 C CA . SER A 215 ? 0.1878 0.2831 0.1957 0.0147 0.0658 -0.0385 215 SER A CA 1632 C C . SER A 215 ? 0.1486 0.2784 0.1317 0.0328 0.0124 -0.0453 215 SER A C 1633 O O . SER A 215 ? 0.1529 0.2795 0.2089 -0.0006 0.0389 -0.0359 215 SER A O 1634 C CB . SER A 215 ? 0.1944 0.3042 0.2352 0.0095 0.0427 -0.0404 215 SER A CB 1635 O OG A SER A 215 ? 0.1244 0.2647 0.1998 0.0245 0.0461 0.0805 215 SER A OG 1636 O OG B SER A 215 ? 0.4363 0.3703 0.5660 -0.1104 0.0937 -0.2260 215 SER A OG 1637 N N . ALA A 216 ? 0.1983 0.2744 0.2347 -0.0013 0.0306 -0.1023 216 ALA A N 1638 C CA . ALA A 216 ? 0.1601 0.2897 0.2386 -0.0073 0.0519 -0.0739 216 ALA A CA 1639 C C . ALA A 216 ? 0.2826 0.3265 0.2256 0.0715 0.0548 -0.0716 216 ALA A C 1640 O O . ALA A 216 ? 0.3742 0.3137 0.4624 0.1030 0.0700 -0.0184 216 ALA A O 1641 C CB . ALA A 216 ? 0.2465 0.2768 0.3056 0.0461 -0.0556 -0.1274 216 ALA A CB 1642 N N . ASN A 217 ? 0.2155 0.4313 0.1709 0.0839 0.0488 -0.0363 217 ASN A N 1643 C CA . ASN A 217 ? 0.2912 0.5690 0.2078 0.2246 0.0601 -0.0554 217 ASN A CA 1644 C C . ASN A 217 ? 0.1898 0.5311 0.1910 0.1750 0.0408 -0.0077 217 ASN A C 1645 O O . ASN A 217 ? 0.2051 0.9131 0.2503 0.2415 0.0257 0.0206 217 ASN A O 1646 C CB . ASN A 217 ? 0.2159 1.7215 0.2337 0.2144 0.0568 -0.2280 217 ASN A CB 1647 N N . ASN A 218 ? 0.1590 0.3392 0.1215 0.0860 0.0282 0.0166 218 ASN A N 1648 C CA . ASN A 218 ? 0.1327 0.2299 0.1342 0.0014 0.0159 0.0176 218 ASN A CA 1649 C C . ASN A 218 ? 0.0918 0.2045 0.1461 0.0244 0.0203 0.0149 218 ASN A C 1650 O O . ASN A 218 ? 0.1149 0.1910 0.1636 0.0122 0.0051 -0.0063 218 ASN A O 1651 C CB . ASN A 218 ? 0.1244 0.1948 0.1490 -0.0133 0.0089 0.0261 218 ASN A CB 1652 C CG . ASN A 218 ? 0.1456 0.2207 0.1627 -0.0386 -0.0043 0.0410 218 ASN A CG 1653 O OD1 . ASN A 218 ? 0.2125 0.2495 0.2615 -0.0698 -0.0982 0.0925 218 ASN A OD1 1654 N ND2 . ASN A 218 ? 0.1463 0.2194 0.1404 -0.0331 -0.0102 0.0494 218 ASN A ND2 1655 N N . THR A 219 ? 0.1060 0.2645 0.1930 -0.0279 -0.0054 0.0808 219 THR A N 1656 C CA . THR A 219 ? 0.1167 0.2098 0.1592 0.0092 0.0227 0.0374 219 THR A CA 1657 C C . THR A 219 ? 0.1036 0.1344 0.1290 -0.0035 -0.0044 -0.0108 219 THR A C 1658 O O . THR A 219 ? 0.1375 0.1201 0.1858 -0.0052 -0.0116 0.0027 219 THR A O 1659 C CB . THR A 219 ? 0.0995 0.3384 0.1952 -0.0130 -0.0026 0.0995 219 THR A CB 1660 O OG1 . THR A 219 ? 0.1299 0.3762 0.2495 0.0266 0.0203 0.1097 219 THR A OG1 1661 C CG2 . THR A 219 ? 0.1273 0.3221 0.2311 -0.0082 -0.0115 0.1219 219 THR A CG2 1662 N N . GLY A 220 ? 0.1060 0.1278 0.1264 0.0002 0.0010 0.0041 220 GLY A N 1663 C CA . GLY A 220 ? 0.1080 0.1628 0.1052 0.0019 -0.0047 -0.0053 220 GLY A CA 1664 C C . GLY A 220 ? 0.0983 0.1272 0.0952 -0.0284 -0.0071 0.0011 220 GLY A C 1665 O O . GLY A 220 ? 0.1004 0.1276 0.1004 -0.0181 -0.0072 0.0045 220 GLY A O 1666 N N . GLU A 221 ? 0.1005 0.1277 0.1065 -0.0019 -0.0108 0.0023 221 GLU A N 1667 C CA . GLU A 221 ? 0.1066 0.1127 0.0941 0.0090 -0.0064 -0.0152 221 GLU A CA 1668 C C . GLU A 221 ? 0.1041 0.1111 0.0926 0.0175 -0.0041 -0.0191 221 GLU A C 1669 O O . GLU A 221 ? 0.1017 0.1336 0.1315 0.0192 -0.0034 -0.0292 221 GLU A O 1670 C CB . GLU A 221 ? 0.1044 0.1232 0.1090 0.0043 -0.0068 -0.0020 221 GLU A CB 1671 C CG . GLU A 221 ? 0.1078 0.1356 0.1199 0.0101 -0.0101 0.0032 221 GLU A CG 1672 C CD . GLU A 221 ? 0.1232 0.1355 0.1363 0.0101 -0.0113 0.0078 221 GLU A CD 1673 O OE1 . GLU A 221 ? 0.1242 0.2680 0.2781 -0.0323 -0.0349 0.1265 221 GLU A OE1 1674 O OE2 . GLU A 221 ? 0.1425 0.1196 0.1308 -0.0020 -0.0287 0.0032 221 GLU A OE2 1675 N N . VAL A 222 ? 0.0979 0.1137 0.0875 0.0116 0.0005 -0.0186 222 VAL A N 1676 C CA . VAL A 222 ? 0.0752 0.1166 0.1005 0.0056 0.0041 -0.0145 222 VAL A CA 1677 C C . VAL A 222 ? 0.0931 0.1135 0.0907 0.0095 0.0090 -0.0092 222 VAL A C 1678 O O . VAL A 222 ? 0.1036 0.1049 0.0980 0.0061 -0.0006 -0.0169 222 VAL A O 1679 C CB . VAL A 222 ? 0.1007 0.1055 0.1189 0.0112 0.0000 -0.0014 222 VAL A CB 1680 C CG1 . VAL A 222 ? 0.1187 0.1327 0.1002 0.0221 0.0012 0.0014 222 VAL A CG1 1681 C CG2 . VAL A 222 ? 0.1038 0.1213 0.1152 0.0069 0.0142 0.0071 222 VAL A CG2 1682 N N . ALA A 223 ? 0.1007 0.1053 0.0993 0.0161 0.0032 -0.0177 223 ALA A N 1683 C CA . ALA A 223 ? 0.1087 0.1038 0.0961 0.0055 0.0017 -0.0136 223 ALA A CA 1684 C C . ALA A 223 ? 0.1020 0.1076 0.0693 0.0054 -0.0037 -0.0084 223 ALA A C 1685 O O . ALA A 223 ? 0.1082 0.0983 0.1068 -0.0031 0.0104 0.0017 223 ALA A O 1686 C CB . ALA A 223 ? 0.1184 0.1453 0.0987 0.0199 0.0032 -0.0343 223 ALA A CB 1687 N N . SER A 224 ? 0.1009 0.0951 0.0978 -0.0023 0.0065 -0.0041 224 SER A N 1688 C CA . SER A 224 ? 0.1055 0.0938 0.0926 0.0004 -0.0044 -0.0140 224 SER A CA 1689 C C . SER A 224 ? 0.1062 0.0883 0.0895 -0.0024 0.0034 -0.0047 224 SER A C 1690 O O . SER A 224 ? 0.1081 0.1139 0.0874 -0.0160 0.0067 -0.0044 224 SER A O 1691 C CB . SER A 224 ? 0.1089 0.0909 0.1007 -0.0022 -0.0147 -0.0112 224 SER A CB 1692 O OG . SER A 224 ? 0.1128 0.0969 0.0854 -0.0033 -0.0070 -0.0075 224 SER A OG 1693 N N . PRO A 225 ? 0.1088 0.0970 0.0816 -0.0139 0.0023 -0.0125 225 PRO A N 1694 C CA . PRO A 225 ? 0.1078 0.1086 0.0936 -0.0163 -0.0055 -0.0182 225 PRO A CA 1695 C C . PRO A 225 ? 0.1079 0.1240 0.0687 -0.0120 -0.0016 -0.0091 225 PRO A C 1696 O O . PRO A 225 ? 0.1282 0.1419 0.0853 -0.0068 -0.0152 -0.0105 225 PRO A O 1697 C CB . PRO A 225 ? 0.1141 0.1104 0.1086 -0.0207 0.0040 -0.0130 225 PRO A CB 1698 C CG . PRO A 225 ? 0.1058 0.0916 0.0969 -0.0106 -0.0005 0.0009 225 PRO A CG 1699 C CD . PRO A 225 ? 0.1041 0.1011 0.0771 -0.0247 0.0051 -0.0006 225 PRO A CD 1700 N N . LEU A 226 ? 0.1184 0.1147 0.0747 -0.0141 -0.0106 0.0027 226 LEU A N 1701 C CA . LEU A 226 ? 0.1081 0.1161 0.0651 -0.0036 -0.0150 0.0012 226 LEU A CA 1702 C C . LEU A 226 ? 0.1093 0.1013 0.0601 0.0020 -0.0062 0.0062 226 LEU A C 1703 O O . LEU A 226 ? 0.1266 0.1113 0.0692 -0.0092 -0.0033 -0.0009 226 LEU A O 1704 C CB . LEU A 226 ? 0.1091 0.1520 0.0815 -0.0017 -0.0054 -0.0023 226 LEU A CB 1705 C CG . LEU A 226 ? 0.1113 0.1973 0.1006 -0.0069 -0.0075 -0.0093 226 LEU A CG 1706 C CD1 . LEU A 226 ? 0.0917 0.4646 0.1548 -0.0372 0.0179 -0.0791 226 LEU A CD1 1707 C CD2 . LEU A 226 ? 0.1206 0.1563 0.1499 0.0150 -0.0403 -0.0156 226 LEU A CD2 1708 N N . PRO A 227 ? 0.1144 0.1074 0.0705 -0.0088 -0.0050 -0.0041 227 PRO A N 1709 C CA . PRO A 227 ? 0.1144 0.1072 0.0821 -0.0033 -0.0038 0.0058 227 PRO A CA 1710 C C . PRO A 227 ? 0.1360 0.1097 0.0698 -0.0089 -0.0117 0.0145 227 PRO A C 1711 O O . PRO A 227 ? 0.1400 0.1165 0.0875 -0.0208 -0.0005 0.0040 227 PRO A O 1712 C CB . PRO A 227 ? 0.1182 0.1223 0.1134 0.0042 0.0045 0.0050 227 PRO A CB 1713 C CG . PRO A 227 ? 0.1434 0.1143 0.0959 -0.0004 0.0151 -0.0065 227 PRO A CG 1714 C CD . PRO A 227 ? 0.1347 0.0972 0.0860 -0.0022 0.0106 -0.0055 227 PRO A CD 1715 N N . LEU A 228 ? 0.1334 0.1042 0.0837 0.0003 0.0001 0.0071 228 LEU A N 1716 C CA . LEU A 228 ? 0.1518 0.1093 0.0522 -0.0129 -0.0042 0.0147 228 LEU A CA 1717 C C . LEU A 228 ? 0.1505 0.1111 0.0603 -0.0013 -0.0008 0.0124 228 LEU A C 1718 O O . LEU A 228 ? 0.1480 0.1199 0.0858 0.0057 0.0145 0.0117 228 LEU A O 1719 C CB . LEU A 228 ? 0.1334 0.1314 0.0751 0.0141 -0.0019 0.0023 228 LEU A CB 1720 C CG . LEU A 228 ? 0.1511 0.1319 0.0806 0.0116 -0.0032 0.0135 228 LEU A CG 1721 C CD1 . LEU A 228 ? 0.1849 0.1815 0.1040 0.0462 0.0268 0.0444 228 LEU A CD1 1722 C CD2 . LEU A 228 ? 0.1757 0.1645 0.1190 0.0214 -0.0299 0.0361 228 LEU A CD2 1723 N N . GLY A 229 ? 0.1627 0.1080 0.0828 -0.0111 0.0054 0.0066 229 GLY A N 1724 C CA . GLY A 229 ? 0.1963 0.1166 0.0838 -0.0229 -0.0019 0.0046 229 GLY A CA 1725 C C . GLY A 229 ? 0.1941 0.1141 0.0875 -0.0303 0.0215 0.0042 229 GLY A C 1726 O O . GLY A 229 ? 0.2230 0.1217 0.0998 -0.0135 0.0399 0.0002 229 GLY A O 1727 N N . SER A 230 ? 0.1851 0.1181 0.0617 -0.0299 0.0059 0.0033 230 SER A N 1728 C CA . SER A 230 ? 0.1789 0.1228 0.0874 -0.0177 0.0095 0.0191 230 SER A CA 1729 C C . SER A 230 ? 0.1857 0.1154 0.0825 -0.0212 0.0181 0.0250 230 SER A C 1730 O O . SER A 230 ? 0.1808 0.1157 0.0977 -0.0071 0.0157 0.0207 230 SER A O 1731 C CB . SER A 230 ? 0.2265 0.1553 0.1094 -0.0203 -0.0267 0.0321 230 SER A CB 1732 O OG . SER A 230 ? 0.2670 0.1692 0.1128 -0.0077 -0.0145 0.0448 230 SER A OG 1733 N N . GLY A 231 ? 0.1966 0.1340 0.1330 -0.0312 0.0371 0.0029 231 GLY A N 1734 C CA . GLY A 231 ? 0.2283 0.1467 0.1187 -0.0624 0.0370 0.0052 231 GLY A CA 1735 C C . GLY A 231 ? 0.2149 0.1321 0.1307 -0.0409 0.0386 0.0000 231 GLY A C 1736 O O . GLY A 231 ? 0.2180 0.1638 0.1385 -0.0218 0.0181 -0.0219 231 GLY A O 1737 N N . SER A 232 ? 0.2407 0.1151 0.1211 -0.0454 0.0426 -0.0104 232 SER A N 1738 C CA . SER A 232 ? 0.1864 0.1558 0.1284 -0.0510 0.0298 -0.0074 232 SER A CA 1739 C C . SER A 232 ? 0.1785 0.1316 0.1006 -0.0365 -0.0078 0.0039 232 SER A C 1740 O O . SER A 232 ? 0.1883 0.1459 0.0883 -0.0189 -0.0081 -0.0048 232 SER A O 1741 C CB . SER A 232 ? 0.3716 0.1511 0.1317 -0.1107 0.0857 -0.0429 232 SER A CB 1742 O OG A SER A 232 ? 0.2945 0.1738 0.1530 -0.1121 0.0370 -0.0355 232 SER A OG 1743 O OG B SER A 232 ? 0.6894 0.2352 0.4215 0.2121 0.3385 0.1241 232 SER A OG 1744 N N . ASP A 233 ? 0.1591 0.1218 0.0890 -0.0231 -0.0043 0.0227 233 ASP A N 1745 C CA . ASP A 233 ? 0.1438 0.0976 0.0944 -0.0094 -0.0035 0.0162 233 ASP A CA 1746 C C . ASP A 233 ? 0.1378 0.1143 0.0828 -0.0074 0.0050 0.0111 233 ASP A C 1747 O O . ASP A 233 ? 0.1811 0.1095 0.0869 0.0061 -0.0120 0.0047 233 ASP A O 1748 C CB . ASP A 233 ? 0.1439 0.1338 0.0707 -0.0023 -0.0015 0.0105 233 ASP A CB 1749 C CG . ASP A 233 ? 0.1727 0.1165 0.0895 0.0109 -0.0144 0.0180 233 ASP A CG 1750 O OD1 . ASP A 233 ? 0.1880 0.1387 0.0872 0.0123 -0.0050 0.0099 233 ASP A OD1 1751 O OD2 . ASP A 233 ? 0.1918 0.1971 0.1407 0.0446 -0.0559 -0.0202 233 ASP A OD2 1752 N N . THR A 234 ? 0.1235 0.0994 0.0840 -0.0087 0.0016 0.0106 234 THR A N 1753 C CA . THR A 234 ? 0.1257 0.1005 0.0909 -0.0141 0.0018 0.0044 234 THR A CA 1754 C C . THR A 234 ? 0.1243 0.0906 0.0696 -0.0034 -0.0140 0.0118 234 THR A C 1755 O O . THR A 234 ? 0.1197 0.1080 0.0929 -0.0077 0.0024 0.0085 234 THR A O 1756 C CB . THR A 234 ? 0.1158 0.1164 0.1070 -0.0150 -0.0114 0.0118 234 THR A CB 1757 O OG1 . THR A 234 ? 0.1563 0.1181 0.1362 -0.0320 -0.0241 0.0049 234 THR A OG1 1758 C CG2 . THR A 234 ? 0.1227 0.1229 0.0867 -0.0126 0.0039 0.0068 234 THR A CG2 1759 N N . GLY A 235 ? 0.1275 0.0950 0.0816 -0.0059 -0.0013 0.0104 235 GLY A N 1760 C CA . GLY A 235 ? 0.1319 0.0926 0.0809 -0.0092 -0.0054 -0.0015 235 GLY A CA 1761 C C . GLY A 235 ? 0.1010 0.0972 0.0766 -0.0030 -0.0004 -0.0067 235 GLY A C 1762 O O . GLY A 235 ? 0.1122 0.0993 0.0754 -0.0151 -0.0014 0.0020 235 GLY A O 1763 N N . GLU A 236 ? 0.0976 0.0986 0.0626 0.0009 -0.0090 0.0063 236 GLU A N 1764 C CA . GLU A 236 ? 0.0957 0.0921 0.0713 -0.0022 -0.0040 -0.0014 236 GLU A CA 1765 C C . GLU A 236 ? 0.0937 0.0900 0.0787 -0.0064 0.0006 -0.0003 236 GLU A C 1766 O O . GLU A 236 ? 0.1050 0.0957 0.0773 -0.0020 0.0066 -0.0049 236 GLU A O 1767 C CB . GLU A 236 ? 0.0915 0.0899 0.0875 -0.0068 -0.0099 -0.0018 236 GLU A CB 1768 C CG . GLU A 236 ? 0.1071 0.0855 0.0804 -0.0032 -0.0059 -0.0035 236 GLU A CG 1769 C CD . GLU A 236 ? 0.1073 0.0917 0.0690 -0.0110 -0.0083 -0.0146 236 GLU A CD 1770 O OE1 . GLU A 236 ? 0.1045 0.0970 0.1006 -0.0064 -0.0056 -0.0108 236 GLU A OE1 1771 O OE2 . GLU A 236 ? 0.1031 0.0875 0.0899 0.0008 -0.0080 -0.0129 236 GLU A OE2 1772 N N . MET A 237 ? 0.0956 0.0968 0.0661 0.0013 0.0036 0.0081 237 MET A N 1773 C CA . MET A 237 ? 0.1028 0.0737 0.0741 -0.0081 0.0042 -0.0074 237 MET A CA 1774 C C . MET A 237 ? 0.0865 0.0785 0.0658 -0.0015 -0.0034 -0.0097 237 MET A C 1775 O O . MET A 237 ? 0.0893 0.0771 0.0771 0.0043 0.0067 0.0083 237 MET A O 1776 C CB . MET A 237 ? 0.0982 0.0819 0.0840 -0.0071 -0.0020 -0.0016 237 MET A CB 1777 C CG . MET A 237 ? 0.1099 0.1008 0.1070 -0.0034 -0.0168 0.0047 237 MET A CG 1778 S SD . MET A 237 ? 0.1037 0.1298 0.1112 -0.0098 -0.0127 -0.0206 237 MET A SD 1779 C CE . MET A 237 ? 0.1068 0.1076 0.1453 -0.0017 -0.0036 0.0006 237 MET A CE 1780 N N . ARG A 238 ? 0.0806 0.0831 0.0787 0.0038 0.0023 -0.0004 238 ARG A N 1781 C CA . ARG A 238 ? 0.0908 0.0842 0.0731 -0.0049 0.0002 -0.0055 238 ARG A CA 1782 C C . ARG A 238 ? 0.1044 0.0704 0.0730 -0.0036 -0.0054 -0.0143 238 ARG A C 1783 O O . ARG A 238 ? 0.0985 0.1061 0.0761 0.0125 -0.0015 -0.0063 238 ARG A O 1784 C CB . ARG A 238 ? 0.0846 0.0938 0.0684 0.0007 -0.0031 -0.0021 238 ARG A CB 1785 C CG . ARG A 238 ? 0.0842 0.0945 0.0766 -0.0045 -0.0059 -0.0033 238 ARG A CG 1786 C CD . ARG A 238 ? 0.0994 0.0845 0.0782 0.0019 -0.0112 -0.0022 238 ARG A CD 1787 N NE . ARG A 238 ? 0.0982 0.0754 0.0912 -0.0017 -0.0160 -0.0093 238 ARG A NE 1788 C CZ . ARG A 238 ? 0.0943 0.0830 0.0729 0.0019 -0.0082 -0.0050 238 ARG A CZ 1789 N NH1 . ARG A 238 ? 0.0933 0.0966 0.0905 0.0023 -0.0133 -0.0189 238 ARG A NH1 1790 N NH2 . ARG A 238 ? 0.0956 0.0997 0.0833 -0.0066 -0.0068 -0.0061 238 ARG A NH2 1791 N N . LEU A 239 ? 0.0819 0.0827 0.0824 0.0023 -0.0036 -0.0034 239 LEU A N 1792 C CA . LEU A 239 ? 0.0793 0.0909 0.0803 -0.0085 -0.0041 -0.0049 239 LEU A CA 1793 C C . LEU A 239 ? 0.0919 0.0857 0.0841 -0.0034 -0.0170 -0.0016 239 LEU A C 1794 O O . LEU A 239 ? 0.0935 0.0876 0.0958 -0.0031 -0.0058 -0.0034 239 LEU A O 1795 C CB . LEU A 239 ? 0.0791 0.0919 0.0864 -0.0085 -0.0134 -0.0026 239 LEU A CB 1796 C CG . LEU A 239 ? 0.0787 0.1016 0.0831 0.0110 -0.0165 -0.0080 239 LEU A CG 1797 C CD1 . LEU A 239 ? 0.1389 0.1004 0.0823 0.0103 -0.0230 -0.0104 239 LEU A CD1 1798 C CD2 . LEU A 239 ? 0.1012 0.0689 0.1173 -0.0012 -0.0087 -0.0063 239 LEU A CD2 1799 N N . GLN A 240 ? 0.0886 0.0912 0.1007 -0.0003 -0.0159 0.0038 240 GLN A N 1800 C CA . GLN A 240 ? 0.0744 0.0993 0.1038 0.0027 -0.0088 -0.0101 240 GLN A CA 1801 C C . GLN A 240 ? 0.0859 0.0745 0.1049 0.0056 -0.0142 -0.0087 240 GLN A C 1802 O O . GLN A 240 ? 0.0957 0.0768 0.1052 0.0027 -0.0127 -0.0174 240 GLN A O 1803 C CB . GLN A 240 ? 0.0856 0.1137 0.1148 0.0103 -0.0079 -0.0122 240 GLN A CB 1804 C CG . GLN A 240 ? 0.1162 0.1197 0.1295 0.0377 -0.0116 -0.0232 240 GLN A CG 1805 C CD . GLN A 240 ? 0.1061 0.1091 0.1318 0.0117 -0.0216 -0.0191 240 GLN A CD 1806 O OE1 . GLN A 240 ? 0.1394 0.1234 0.1396 -0.0175 0.0024 -0.0393 240 GLN A OE1 1807 N NE2 . GLN A 240 ? 0.1171 0.0906 0.1412 0.0182 -0.0289 -0.0238 240 GLN A NE2 1808 N N . SER A 241 ? 0.0868 0.0633 0.1011 -0.0056 -0.0093 -0.0001 241 SER A N 1809 C CA . SER A 241 ? 0.0851 0.0721 0.1053 -0.0004 -0.0115 0.0031 241 SER A CA 1810 C C . SER A 241 ? 0.0943 0.0829 0.0828 -0.0009 -0.0234 -0.0138 241 SER A C 1811 O O . SER A 241 ? 0.0893 0.0801 0.0998 0.0020 -0.0087 0.0003 241 SER A O 1812 C CB . SER A 241 ? 0.0870 0.0901 0.1055 -0.0021 -0.0233 -0.0058 241 SER A CB 1813 O OG . SER A 241 ? 0.1084 0.0874 0.0923 -0.0062 -0.0113 -0.0107 241 SER A OG 1814 N N . ASP A 242 ? 0.0830 0.0779 0.1036 -0.0046 -0.0211 0.0032 242 ASP A N 1815 C CA . ASP A 242 ? 0.0762 0.0770 0.1016 -0.0008 -0.0157 -0.0034 242 ASP A CA 1816 C C . ASP A 242 ? 0.0844 0.0705 0.0978 0.0038 -0.0138 -0.0007 242 ASP A C 1817 O O . ASP A 242 ? 0.0846 0.0737 0.1030 -0.0007 -0.0064 -0.0062 242 ASP A O 1818 C CB . ASP A 242 ? 0.0939 0.0834 0.0853 0.0074 -0.0105 -0.0048 242 ASP A CB 1819 C CG . ASP A 242 ? 0.1129 0.0830 0.0913 0.0035 -0.0196 -0.0046 242 ASP A CG 1820 O OD1 . ASP A 242 ? 0.1087 0.0901 0.0990 0.0015 0.0006 -0.0092 242 ASP A OD1 1821 O OD2 . ASP A 242 ? 0.1200 0.0992 0.0942 0.0113 -0.0093 -0.0094 242 ASP A OD2 1822 N N . PHE A 243 ? 0.0791 0.0827 0.1033 -0.0115 -0.0082 -0.0095 243 PHE A N 1823 C CA . PHE A 243 ? 0.0940 0.0863 0.0805 -0.0066 -0.0166 0.0008 243 PHE A CA 1824 C C . PHE A 243 ? 0.0861 0.0820 0.0697 0.0016 -0.0115 -0.0072 243 PHE A C 1825 O O . PHE A 243 ? 0.1030 0.0748 0.0868 0.0007 -0.0154 -0.0071 243 PHE A O 1826 C CB . PHE A 243 ? 0.0960 0.0917 0.0918 -0.0095 -0.0139 0.0000 243 PHE A CB 1827 C CG . PHE A 243 ? 0.1060 0.0988 0.0884 -0.0039 -0.0039 -0.0045 243 PHE A CG 1828 C CD1 . PHE A 243 ? 0.1326 0.1520 0.1010 0.0354 -0.0160 -0.0288 243 PHE A CD1 1829 C CD2 . PHE A 243 ? 0.1215 0.0985 0.1099 -0.0139 -0.0223 -0.0115 243 PHE A CD2 1830 C CE1 . PHE A 243 ? 0.1579 0.1309 0.1426 0.0323 -0.0106 -0.0317 243 PHE A CE1 1831 C CE2 . PHE A 243 ? 0.1209 0.1268 0.1126 -0.0232 -0.0090 -0.0232 243 PHE A CE2 1832 C CZ . PHE A 243 ? 0.1557 0.1438 0.1379 0.0002 -0.0049 -0.0585 243 PHE A CZ 1833 N N . ALA A 244 ? 0.0971 0.0799 0.0844 -0.0033 -0.0121 -0.0005 244 ALA A N 1834 C CA . ALA A 244 ? 0.1018 0.0756 0.0838 0.0071 -0.0129 -0.0074 244 ALA A CA 1835 C C . ALA A 244 ? 0.0945 0.0762 0.0793 -0.0023 -0.0194 0.0023 244 ALA A C 1836 O O . ALA A 244 ? 0.0952 0.0773 0.1009 -0.0005 -0.0115 -0.0029 244 ALA A O 1837 C CB . ALA A 244 ? 0.0899 0.1079 0.1125 0.0079 -0.0088 0.0117 244 ALA A CB 1838 N N . LEU A 245 ? 0.0985 0.0794 0.0771 -0.0063 -0.0090 0.0014 245 LEU A N 1839 C CA . LEU A 245 ? 0.0931 0.0740 0.0823 -0.0034 -0.0122 0.0045 245 LEU A CA 1840 C C . LEU A 245 ? 0.0939 0.0789 0.0870 -0.0022 -0.0102 -0.0016 245 LEU A C 1841 O O . LEU A 245 ? 0.0995 0.1002 0.0938 -0.0107 -0.0160 0.0191 245 LEU A O 1842 C CB . LEU A 245 ? 0.0877 0.0811 0.1016 0.0042 -0.0037 -0.0101 245 LEU A CB 1843 C CG . LEU A 245 ? 0.1041 0.0743 0.0965 -0.0011 -0.0099 -0.0020 245 LEU A CG 1844 C CD1 . LEU A 245 ? 0.1339 0.0912 0.1108 -0.0132 -0.0077 -0.0241 245 LEU A CD1 1845 C CD2 . LEU A 245 ? 0.1084 0.1037 0.0937 -0.0036 -0.0045 0.0060 245 LEU A CD2 1846 N N . ALA A 246 ? 0.0975 0.0751 0.0863 0.0034 -0.0155 0.0016 246 ALA A N 1847 C CA . ALA A 246 ? 0.0944 0.0809 0.0839 -0.0036 -0.0103 0.0033 246 ALA A CA 1848 C C . ALA A 246 ? 0.0926 0.0817 0.0944 -0.0129 -0.0150 -0.0010 246 ALA A C 1849 O O . ALA A 246 ? 0.1076 0.0860 0.1190 -0.0073 -0.0211 -0.0023 246 ALA A O 1850 C CB . ALA A 246 ? 0.1025 0.0823 0.0934 0.0059 -0.0203 0.0077 246 ALA A CB 1851 N N . HIS A 247 ? 0.1059 0.0764 0.0838 -0.0018 -0.0226 -0.0048 247 HIS A N 1852 C CA . HIS A 247 ? 0.1063 0.0832 0.1009 -0.0095 -0.0181 0.0003 247 HIS A CA 1853 C C . HIS A 247 ? 0.1020 0.0698 0.0976 -0.0122 -0.0229 -0.0063 247 HIS A C 1854 O O . HIS A 247 ? 0.2064 0.0818 0.1093 -0.0209 -0.0529 -0.0101 247 HIS A O 1855 C CB . HIS A 247 ? 0.1039 0.0838 0.1025 0.0092 -0.0131 -0.0071 247 HIS A CB 1856 C CG . HIS A 247 ? 0.1077 0.0951 0.0854 -0.0043 -0.0176 -0.0109 247 HIS A CG 1857 N ND1 . HIS A 247 ? 0.1225 0.1014 0.1062 -0.0075 -0.0308 -0.0039 247 HIS A ND1 1858 C CD2 . HIS A 247 ? 0.1147 0.0945 0.0780 -0.0062 -0.0137 -0.0130 247 HIS A CD2 1859 C CE1 . HIS A 247 ? 0.1133 0.1100 0.0991 0.0021 -0.0277 0.0003 247 HIS A CE1 1860 N NE2 . HIS A 247 ? 0.1082 0.1015 0.0962 0.0022 -0.0204 -0.0152 247 HIS A NE2 1861 N N . ASP A 248 ? 0.0995 0.0569 0.1084 -0.0001 -0.0294 -0.0060 248 ASP A N 1862 C CA . ASP A 248 ? 0.0997 0.0571 0.1059 0.0043 -0.0219 -0.0020 248 ASP A CA 1863 C C . ASP A 248 ? 0.1039 0.0778 0.0867 0.0032 -0.0226 -0.0002 248 ASP A C 1864 O O . ASP A 248 ? 0.1020 0.0717 0.1014 0.0067 -0.0199 0.0005 248 ASP A O 1865 C CB . ASP A 248 ? 0.1051 0.0762 0.0995 0.0044 -0.0231 -0.0022 248 ASP A CB 1866 C CG . ASP A 248 ? 0.0944 0.0656 0.1019 -0.0073 -0.0179 -0.0037 248 ASP A CG 1867 O OD1 . ASP A 248 ? 0.0978 0.0917 0.1079 -0.0084 -0.0175 0.0143 248 ASP A OD1 1868 O OD2 . ASP A 248 ? 0.0932 0.0843 0.1225 0.0068 -0.0133 0.0104 248 ASP A OD2 1869 N N . PRO A 249 ? 0.1135 0.0632 0.1173 -0.0054 -0.0266 -0.0024 249 PRO A N 1870 C CA . PRO A 249 ? 0.1164 0.0779 0.1247 -0.0043 -0.0216 -0.0034 249 PRO A CA 1871 C C . PRO A 249 ? 0.0989 0.0805 0.1160 0.0024 -0.0305 0.0159 249 PRO A C 1872 O O . PRO A 249 ? 0.0948 0.0944 0.1245 -0.0143 -0.0205 0.0086 249 PRO A O 1873 C CB . PRO A 249 ? 0.1666 0.0631 0.1617 -0.0048 -0.0173 0.0044 249 PRO A CB 1874 C CG . PRO A 249 ? 0.1620 0.0799 0.1573 0.0062 -0.0234 -0.0197 249 PRO A CG 1875 C CD . PRO A 249 ? 0.1442 0.0791 0.1125 0.0129 -0.0039 -0.0084 249 PRO A CD 1876 N N . ARG A 250 ? 0.0880 0.0772 0.1019 -0.0005 -0.0126 0.0096 250 ARG A N 1877 C CA . ARG A 250 ? 0.1032 0.0639 0.1076 -0.0010 -0.0202 0.0098 250 ARG A CA 1878 C C . ARG A 250 ? 0.1084 0.0723 0.1132 0.0097 -0.0138 0.0203 250 ARG A C 1879 O O . ARG A 250 ? 0.1378 0.1315 0.1333 0.0384 0.0144 0.0367 250 ARG A O 1880 C CB . ARG A 250 ? 0.0998 0.0793 0.0973 0.0034 -0.0138 0.0056 250 ARG A CB 1881 C CG . ARG A 250 ? 0.0974 0.0814 0.1094 -0.0037 -0.0200 0.0180 250 ARG A CG 1882 C CD . ARG A 250 ? 0.0978 0.0883 0.1159 0.0063 -0.0208 0.0089 250 ARG A CD 1883 N NE . ARG A 250 ? 0.1025 0.0633 0.1047 0.0016 -0.0249 0.0056 250 ARG A NE 1884 C CZ . ARG A 250 ? 0.1054 0.0438 0.1030 0.0058 -0.0234 0.0013 250 ARG A CZ 1885 N NH1 . ARG A 250 ? 0.1072 0.0822 0.1098 0.0023 -0.0296 0.0029 250 ARG A NH1 1886 N NH2 . ARG A 250 ? 0.1029 0.0788 0.1111 0.0004 -0.0215 0.0033 250 ARG A NH2 1887 N N . THR A 251 ? 0.1119 0.0586 0.0961 0.0020 -0.0211 0.0063 251 THR A N 1888 C CA . THR A 251 ? 0.0960 0.0699 0.0997 0.0093 -0.0102 0.0123 251 THR A CA 1889 C C . THR A 251 ? 0.0933 0.0564 0.1080 -0.0065 -0.0172 0.0039 251 THR A C 1890 O O . THR A 251 ? 0.0892 0.0807 0.0985 0.0045 -0.0141 0.0023 251 THR A O 1891 C CB . THR A 251 ? 0.0952 0.0702 0.0905 0.0013 -0.0181 0.0035 251 THR A CB 1892 O OG1 . THR A 251 ? 0.1018 0.0812 0.0922 -0.0021 -0.0164 -0.0071 251 THR A OG1 1893 C CG2 . THR A 251 ? 0.1164 0.1094 0.0867 -0.0131 -0.0065 -0.0021 251 THR A CG2 1894 N N . ALA A 252 ? 0.1025 0.0695 0.1011 0.0092 -0.0213 0.0019 252 ALA A N 1895 C CA . ALA A 252 ? 0.0987 0.0761 0.1054 0.0104 -0.0197 0.0108 252 ALA A CA 1896 C C . ALA A 252 ? 0.0987 0.0678 0.0914 -0.0009 -0.0272 -0.0019 252 ALA A C 1897 O O . ALA A 252 ? 0.1014 0.0719 0.0974 0.0076 -0.0246 0.0000 252 ALA A O 1898 C CB . ALA A 252 ? 0.1102 0.0973 0.0960 0.0088 -0.0229 -0.0009 252 ALA A CB 1899 N N . CYS A 253 ? 0.1032 0.0814 0.0957 -0.0001 -0.0133 -0.0013 253 CYS A N 1900 C CA . CYS A 253 ? 0.1039 0.0728 0.1181 -0.0026 -0.0191 -0.0061 253 CYS A CA 1901 C C . CYS A 253 ? 0.0932 0.0687 0.1006 -0.0083 -0.0128 0.0010 253 CYS A C 1902 O O . CYS A 253 ? 0.0956 0.0781 0.1205 -0.0027 -0.0214 -0.0035 253 CYS A O 1903 C CB . CYS A 253 ? 0.1234 0.0785 0.1328 -0.0063 -0.0018 0.0073 253 CYS A CB 1904 S SG . CYS A 253 ? 0.1514 0.0934 0.1621 -0.0125 -0.0116 -0.0046 253 CYS A SG 1905 N N . ILE A 254 ? 0.0867 0.0784 0.1014 -0.0023 -0.0109 -0.0013 254 ILE A N 1906 C CA . ILE A 254 ? 0.1093 0.0750 0.0949 0.0028 -0.0165 -0.0014 254 ILE A CA 1907 C C . ILE A 254 ? 0.0861 0.0761 0.0962 -0.0068 -0.0187 -0.0035 254 ILE A C 1908 O O . ILE A 254 ? 0.0990 0.0830 0.0923 0.0123 -0.0152 0.0007 254 ILE A O 1909 C CB . ILE A 254 ? 0.1201 0.0782 0.0922 -0.0080 -0.0199 0.0035 254 ILE A CB 1910 C CG1 . ILE A 254 ? 0.1426 0.0867 0.0907 0.0064 -0.0103 0.0057 254 ILE A CG1 1911 C CG2 . ILE A 254 ? 0.1254 0.0873 0.0939 -0.0137 -0.0242 0.0000 254 ILE A CG2 1912 C CD1 . ILE A 254 ? 0.1768 0.1045 0.0927 0.0251 -0.0210 0.0048 254 ILE A CD1 1913 N N . TRP A 255 ? 0.0885 0.0648 0.1021 0.0055 -0.0131 0.0004 255 TRP A N 1914 C CA . TRP A 255 ? 0.1042 0.0654 0.0735 0.0032 -0.0195 -0.0067 255 TRP A CA 1915 C C . TRP A 255 ? 0.0899 0.0640 0.0944 0.0001 -0.0173 0.0074 255 TRP A C 1916 O O . TRP A 255 ? 0.1015 0.0597 0.0979 -0.0004 -0.0182 0.0084 255 TRP A O 1917 C CB . TRP A 255 ? 0.0938 0.0712 0.0865 0.0066 -0.0159 -0.0032 255 TRP A CB 1918 C CG . TRP A 255 ? 0.1049 0.0626 0.0779 0.0056 -0.0145 -0.0015 255 TRP A CG 1919 C CD1 . TRP A 255 ? 0.0863 0.0678 0.0832 0.0079 -0.0140 -0.0091 255 TRP A CD1 1920 C CD2 . TRP A 255 ? 0.1041 0.0591 0.0864 0.0054 -0.0182 -0.0091 255 TRP A CD2 1921 N NE1 . TRP A 255 ? 0.1017 0.0641 0.0811 0.0082 -0.0092 0.0020 255 TRP A NE1 1922 C CE2 . TRP A 255 ? 0.0998 0.0548 0.0913 0.0066 -0.0117 -0.0037 255 TRP A CE2 1923 C CE3 . TRP A 255 ? 0.0908 0.0809 0.0961 0.0056 -0.0113 -0.0044 255 TRP A CE3 1924 C CZ2 . TRP A 255 ? 0.1005 0.0736 0.0886 0.0032 0.0042 -0.0043 255 TRP A CZ2 1925 C CZ3 . TRP A 255 ? 0.0938 0.0980 0.0980 -0.0105 -0.0103 -0.0152 255 TRP A CZ3 1926 C CH2 . TRP A 255 ? 0.1041 0.0847 0.0953 -0.0106 0.0072 -0.0247 255 TRP A CH2 1927 N N . GLN A 256 ? 0.0946 0.0661 0.0982 -0.0003 -0.0258 -0.0035 256 GLN A N 1928 C CA . GLN A 256 ? 0.1005 0.0802 0.0783 0.0020 -0.0223 -0.0037 256 GLN A CA 1929 C C . GLN A 256 ? 0.0948 0.0777 0.0863 -0.0066 -0.0240 -0.0015 256 GLN A C 1930 O O . GLN A 256 ? 0.0982 0.0756 0.1022 -0.0031 -0.0204 -0.0023 256 GLN A O 1931 C CB . GLN A 256 ? 0.1147 0.0880 0.0886 -0.0078 -0.0190 -0.0123 256 GLN A CB 1932 C CG . GLN A 256 ? 0.1207 0.0935 0.1329 0.0012 -0.0391 -0.0269 256 GLN A CG 1933 C CD . GLN A 256 ? 0.1135 0.0975 0.1242 -0.0136 -0.0286 -0.0254 256 GLN A CD 1934 O OE1 . GLN A 256 ? 0.1300 0.0893 0.1432 -0.0136 -0.0137 -0.0239 256 GLN A OE1 1935 N NE2 . GLN A 256 ? 0.1477 0.1182 0.1991 -0.0326 0.0136 -0.0556 256 GLN A NE2 1936 N N . GLY A 257 ? 0.1056 0.0717 0.0958 0.0059 -0.0160 0.0009 257 GLY A N 1937 C CA . GLY A 257 ? 0.1151 0.0732 0.0977 -0.0047 -0.0037 0.0055 257 GLY A CA 1938 C C . GLY A 257 ? 0.0895 0.0813 0.1138 0.0022 -0.0192 0.0003 257 GLY A C 1939 O O . GLY A 257 ? 0.0950 0.0940 0.1252 -0.0082 0.0060 -0.0041 257 GLY A O 1940 N N . PHE A 258 ? 0.0833 0.0775 0.0918 0.0016 -0.0144 0.0049 258 PHE A N 1941 C CA . PHE A 258 ? 0.0817 0.0780 0.0833 0.0051 -0.0147 -0.0055 258 PHE A CA 1942 C C . PHE A 258 ? 0.0735 0.0762 0.0884 -0.0010 -0.0153 -0.0020 258 PHE A C 1943 O O . PHE A 258 ? 0.1018 0.0785 0.0904 -0.0012 -0.0190 -0.0016 258 PHE A O 1944 C CB . PHE A 258 ? 0.0777 0.0910 0.0885 -0.0127 -0.0166 0.0027 258 PHE A CB 1945 C CG . PHE A 258 ? 0.0981 0.0758 0.0806 0.0006 -0.0131 0.0036 258 PHE A CG 1946 C CD1 . PHE A 258 ? 0.0974 0.0840 0.0777 -0.0042 -0.0128 0.0056 258 PHE A CD1 1947 C CD2 . PHE A 258 ? 0.0971 0.0926 0.0905 -0.0013 -0.0144 0.0016 258 PHE A CD2 1948 C CE1 . PHE A 258 ? 0.0909 0.1111 0.0995 -0.0041 -0.0253 0.0063 258 PHE A CE1 1949 C CE2 . PHE A 258 ? 0.0943 0.1187 0.0928 -0.0022 -0.0049 0.0006 258 PHE A CE2 1950 C CZ . PHE A 258 ? 0.1090 0.0842 0.0806 0.0050 -0.0167 0.0041 258 PHE A CZ 1951 N N . VAL A 259 ? 0.0865 0.0775 0.0909 0.0028 -0.0210 0.0033 259 VAL A N 1952 C CA . VAL A 259 ? 0.0917 0.0782 0.0926 -0.0040 -0.0269 0.0037 259 VAL A CA 1953 C C . VAL A 259 ? 0.0984 0.0743 0.0901 -0.0030 -0.0249 0.0049 259 VAL A C 1954 O O . VAL A 259 ? 0.0939 0.0742 0.1103 -0.0060 -0.0161 0.0068 259 VAL A O 1955 C CB . VAL A 259 ? 0.0942 0.0958 0.0880 -0.0077 -0.0154 0.0043 259 VAL A CB 1956 C CG1 . VAL A 259 ? 0.1225 0.1081 0.0892 0.0017 -0.0277 0.0019 259 VAL A CG1 1957 C CG2 . VAL A 259 ? 0.0947 0.0917 0.1076 -0.0025 -0.0176 -0.0112 259 VAL A CG2 1958 N N . ASN A 260 ? 0.0916 0.0811 0.0981 -0.0056 -0.0221 0.0148 260 ASN A N 1959 C CA . ASN A 260 ? 0.0952 0.0921 0.0944 0.0068 -0.0210 -0.0022 260 ASN A CA 1960 C C . ASN A 260 ? 0.0886 0.0807 0.1094 -0.0044 -0.0209 -0.0076 260 ASN A C 1961 O O . ASN A 260 ? 0.0890 0.1295 0.1069 -0.0170 -0.0257 -0.0041 260 ASN A O 1962 C CB . ASN A 260 ? 0.0979 0.1067 0.1043 0.0004 -0.0190 -0.0158 260 ASN A CB 1963 C CG . ASN A 260 ? 0.1164 0.1358 0.1091 0.0007 -0.0333 0.0077 260 ASN A CG 1964 O OD1 . ASN A 260 ? 0.1106 0.1399 0.1342 0.0161 -0.0160 0.0449 260 ASN A OD1 1965 N ND2 . ASN A 260 ? 0.0978 0.1748 0.1318 -0.0056 -0.0197 -0.0147 260 ASN A ND2 1966 N N . GLU A 261 ? 0.0874 0.0861 0.0919 -0.0060 -0.0173 0.0028 261 GLU A N 1967 C CA . GLU A 261 ? 0.0730 0.1061 0.1045 -0.0128 -0.0078 0.0025 261 GLU A CA 1968 C C . GLU A 261 ? 0.0702 0.1029 0.0986 -0.0082 -0.0207 0.0042 261 GLU A C 1969 O O . GLU A 261 ? 0.0802 0.1125 0.0917 -0.0036 -0.0200 0.0023 261 GLU A O 1970 C CB . GLU A 261 ? 0.1041 0.1030 0.0948 -0.0185 -0.0208 0.0015 261 GLU A CB 1971 C CG . GLU A 261 ? 0.1369 0.1063 0.1209 -0.0125 -0.0288 -0.0039 261 GLU A CG 1972 C CD . GLU A 261 ? 0.1418 0.1525 0.1644 -0.0629 -0.0200 -0.0213 261 GLU A CD 1973 O OE1 . GLU A 261 ? 0.1923 0.3410 0.3014 -0.1147 -0.0053 -0.1526 261 GLU A OE1 1974 O OE2 . GLU A 261 ? 0.1402 0.1858 0.2276 -0.0631 0.0249 -0.0486 261 GLU A OE2 1975 N N . GLN A 262 ? 0.0875 0.1082 0.0799 -0.0024 -0.0281 0.0002 262 GLN A N 1976 C CA . GLN A 262 ? 0.1254 0.0955 0.0924 -0.0095 -0.0374 -0.0008 262 GLN A CA 1977 C C . GLN A 262 ? 0.1046 0.0983 0.0903 0.0081 -0.0314 -0.0072 262 GLN A C 1978 O O . GLN A 262 ? 0.1012 0.1044 0.0949 0.0051 -0.0257 -0.0118 262 GLN A O 1979 C CB A GLN A 262 ? 0.0959 0.1022 0.0816 -0.0230 -0.0301 0.0026 262 GLN A CB 1980 C CB B GLN A 262 ? 0.2262 0.1185 0.1283 -0.0611 -0.0844 0.0357 262 GLN A CB 1981 C CG A GLN A 262 ? 0.0765 0.1019 0.0580 0.0121 -0.0057 -0.0268 262 GLN A CG 1982 C CG B GLN A 262 ? 0.1209 0.1168 0.0984 -0.0143 -0.0169 0.0209 262 GLN A CG 1983 C CD A GLN A 262 ? 0.0884 0.0416 0.1016 0.0110 0.0058 -0.0052 262 GLN A CD 1984 C CD B GLN A 262 ? 0.0743 0.1014 0.1701 0.0084 -0.0198 -0.0142 262 GLN A CD 1985 O OE1 A GLN A 262 ? 0.0627 0.0886 0.0975 -0.0025 0.0007 -0.0008 262 GLN A OE1 1986 O OE1 B GLN A 262 ? 0.0962 0.1709 0.1646 0.0149 0.0067 0.0141 262 GLN A OE1 1987 N NE2 A GLN A 262 ? 0.0707 0.0832 0.1318 0.0109 -0.0061 -0.0233 262 GLN A NE2 1988 N NE2 B GLN A 262 ? 0.1421 0.1160 0.1373 -0.0445 -0.0365 0.0183 262 GLN A NE2 1989 N N . ALA A 263 ? 0.1034 0.1289 0.1120 0.0059 -0.0318 0.0016 263 ALA A N 1990 C CA . ALA A 263 ? 0.0936 0.1154 0.1253 -0.0018 -0.0183 -0.0182 263 ALA A CA 1991 C C . ALA A 263 ? 0.0752 0.1283 0.0961 -0.0068 -0.0107 -0.0150 263 ALA A C 1992 O O . ALA A 263 ? 0.0920 0.1358 0.1000 -0.0065 -0.0035 -0.0079 263 ALA A O 1993 C CB . ALA A 263 ? 0.0735 0.1528 0.1910 0.0053 -0.0100 -0.0145 263 ALA A CB 1994 N N . PHE A 264 ? 0.0732 0.1244 0.0946 -0.0056 -0.0140 -0.0039 264 PHE A N 1995 C CA . PHE A 264 ? 0.0834 0.1092 0.0944 -0.0184 -0.0143 -0.0003 264 PHE A CA 1996 C C . PHE A 264 ? 0.0706 0.0867 0.0995 -0.0103 -0.0098 0.0091 264 PHE A C 1997 O O . PHE A 264 ? 0.0811 0.1037 0.0880 -0.0129 -0.0095 -0.0022 264 PHE A O 1998 C CB . PHE A 264 ? 0.0913 0.1102 0.1046 -0.0222 -0.0149 -0.0008 264 PHE A CB 1999 C CG . PHE A 264 ? 0.0769 0.1006 0.1113 -0.0224 -0.0062 0.0046 264 PHE A CG 2000 C CD1 . PHE A 264 ? 0.1181 0.0899 0.1117 -0.0245 -0.0199 -0.0039 264 PHE A CD1 2001 C CD2 . PHE A 264 ? 0.1090 0.1251 0.1227 -0.0063 -0.0084 -0.0044 264 PHE A CD2 2002 C CE1 . PHE A 264 ? 0.0999 0.1177 0.1389 -0.0136 -0.0229 0.0133 264 PHE A CE1 2003 C CE2 . PHE A 264 ? 0.1213 0.1035 0.1464 -0.0083 -0.0193 -0.0049 264 PHE A CE2 2004 C CZ . PHE A 264 ? 0.0975 0.1211 0.1576 0.0045 -0.0119 0.0110 264 PHE A CZ 2005 N N . MET A 265 ? 0.0737 0.0943 0.0861 -0.0070 -0.0119 0.0046 265 MET A N 2006 C CA . MET A 265 ? 0.0829 0.0845 0.0868 -0.0189 -0.0135 0.0049 265 MET A CA 2007 C C . MET A 265 ? 0.0757 0.0813 0.0810 -0.0128 -0.0100 0.0050 265 MET A C 2008 O O . MET A 265 ? 0.0811 0.0892 0.0764 -0.0042 -0.0093 0.0013 265 MET A O 2009 C CB . MET A 265 ? 0.0794 0.0842 0.0880 -0.0062 -0.0079 0.0026 265 MET A CB 2010 C CG . MET A 265 ? 0.0767 0.1036 0.0869 -0.0045 -0.0122 0.0080 265 MET A CG 2011 S SD . MET A 265 ? 0.0843 0.1004 0.0803 -0.0062 -0.0047 0.0014 265 MET A SD 2012 C CE . MET A 265 ? 0.1196 0.0895 0.1337 -0.0016 0.0148 0.0117 265 MET A CE 2013 N N . ALA A 266 ? 0.0781 0.0940 0.0808 -0.0074 -0.0189 -0.0028 266 ALA A N 2014 C CA . ALA A 266 ? 0.0769 0.0947 0.0857 -0.0030 -0.0062 -0.0052 266 ALA A CA 2015 C C . ALA A 266 ? 0.0820 0.0893 0.0768 0.0016 0.0004 -0.0086 266 ALA A C 2016 O O . ALA A 266 ? 0.0945 0.0829 0.0844 -0.0047 -0.0087 -0.0126 266 ALA A O 2017 C CB . ALA A 266 ? 0.0945 0.1078 0.1059 0.0052 -0.0135 0.0064 266 ALA A CB 2018 N N . ALA A 267 ? 0.0869 0.1014 0.0698 -0.0063 -0.0100 -0.0046 267 ALA A N 2019 C CA . ALA A 267 ? 0.0799 0.1167 0.0725 -0.0061 -0.0025 -0.0118 267 ALA A CA 2020 C C . ALA A 267 ? 0.0837 0.1013 0.0820 -0.0041 0.0037 -0.0020 267 ALA A C 2021 O O . ALA A 267 ? 0.0746 0.1109 0.0828 -0.0107 -0.0040 -0.0098 267 ALA A O 2022 C CB . ALA A 267 ? 0.0917 0.1093 0.1074 -0.0091 -0.0021 -0.0009 267 ALA A CB 2023 N N . SER A 268 ? 0.0896 0.0895 0.0734 -0.0031 -0.0032 0.0087 268 SER A N 2024 C CA . SER A 268 ? 0.0883 0.0815 0.0749 -0.0064 -0.0046 0.0005 268 SER A CA 2025 C C . SER A 268 ? 0.0813 0.0760 0.0767 -0.0062 -0.0074 -0.0033 268 SER A C 2026 O O . SER A 268 ? 0.0887 0.0849 0.0817 -0.0052 -0.0129 0.0053 268 SER A O 2027 C CB . SER A 268 ? 0.0892 0.0866 0.0831 -0.0094 -0.0118 -0.0079 268 SER A CB 2028 O OG . SER A 268 ? 0.0858 0.0967 0.0925 -0.0178 -0.0085 0.0031 268 SER A OG 2029 N N . PHE A 269 ? 0.0857 0.0760 0.0772 -0.0051 -0.0130 -0.0055 269 PHE A N 2030 C CA . PHE A 269 ? 0.0973 0.0591 0.0782 0.0017 -0.0065 -0.0064 269 PHE A CA 2031 C C . PHE A 269 ? 0.0867 0.0936 0.0565 -0.0093 -0.0130 -0.0001 269 PHE A C 2032 O O . PHE A 269 ? 0.0893 0.0958 0.0734 -0.0164 -0.0032 -0.0007 269 PHE A O 2033 C CB . PHE A 269 ? 0.0894 0.0926 0.0766 -0.0039 0.0014 0.0043 269 PHE A CB 2034 C CG . PHE A 269 ? 0.0960 0.0760 0.0708 -0.0012 0.0011 -0.0017 269 PHE A CG 2035 C CD1 . PHE A 269 ? 0.0974 0.0650 0.0736 -0.0049 0.0006 -0.0006 269 PHE A CD1 2036 C CD2 . PHE A 269 ? 0.1187 0.0845 0.1138 0.0099 0.0187 -0.0043 269 PHE A CD2 2037 C CE1 . PHE A 269 ? 0.0941 0.1024 0.0732 -0.0236 -0.0045 0.0026 269 PHE A CE1 2038 C CE2 . PHE A 269 ? 0.1624 0.0760 0.0976 -0.0113 0.0076 0.0066 269 PHE A CE2 2039 C CZ . PHE A 269 ? 0.1476 0.0953 0.1004 -0.0512 0.0081 -0.0085 269 PHE A CZ 2040 N N . ARG A 270 ? 0.0820 0.0994 0.0635 -0.0015 -0.0008 -0.0008 270 ARG A N 2041 C CA . ARG A 270 ? 0.0836 0.0729 0.0769 -0.0057 -0.0047 -0.0025 270 ARG A CA 2042 C C . ARG A 270 ? 0.0769 0.0877 0.0708 -0.0059 -0.0051 -0.0025 270 ARG A C 2043 O O . ARG A 270 ? 0.0944 0.0890 0.0741 -0.0085 -0.0087 -0.0037 270 ARG A O 2044 C CB . ARG A 270 ? 0.0684 0.0913 0.0897 -0.0063 -0.0014 0.0043 270 ARG A CB 2045 C CG . ARG A 270 ? 0.0871 0.1071 0.0822 -0.0084 0.0041 0.0006 270 ARG A CG 2046 C CD . ARG A 270 ? 0.0990 0.1022 0.1054 0.0016 0.0180 -0.0009 270 ARG A CD 2047 N NE . ARG A 270 ? 0.1150 0.1116 0.1178 0.0000 0.0192 -0.0085 270 ARG A NE 2048 C CZ . ARG A 270 ? 0.1120 0.1297 0.1135 -0.0165 0.0261 -0.0095 270 ARG A CZ 2049 N NH1 . ARG A 270 ? 0.1333 0.1609 0.1012 -0.0095 0.0177 0.0007 270 ARG A NH1 2050 N NH2 . ARG A 270 ? 0.1353 0.1669 0.1372 -0.0161 0.0464 -0.0365 270 ARG A NH2 2051 N N . ALA A 271 ? 0.0803 0.0798 0.0800 -0.0036 -0.0115 0.0024 271 ALA A N 2052 C CA . ALA A 271 ? 0.0972 0.0789 0.0947 -0.0121 -0.0061 0.0065 271 ALA A CA 2053 C C . ALA A 271 ? 0.0881 0.0694 0.0989 -0.0043 -0.0143 -0.0003 271 ALA A C 2054 O O . ALA A 271 ? 0.1019 0.1152 0.0897 -0.0074 -0.0170 0.0006 271 ALA A O 2055 C CB . ALA A 271 ? 0.1009 0.0804 0.1165 -0.0138 -0.0154 0.0091 271 ALA A CB 2056 N N . ALA A 272 ? 0.0806 0.0838 0.0936 -0.0079 -0.0090 -0.0060 272 ALA A N 2057 C CA . ALA A 272 ? 0.0823 0.0933 0.0984 -0.0024 -0.0116 -0.0014 272 ALA A CA 2058 C C . ALA A 272 ? 0.0829 0.0967 0.0602 0.0002 -0.0181 -0.0026 272 ALA A C 2059 O O . ALA A 272 ? 0.0962 0.0890 0.0937 -0.0017 -0.0221 -0.0002 272 ALA A O 2060 C CB . ALA A 272 ? 0.0887 0.1005 0.1097 -0.0044 -0.0179 -0.0295 272 ALA A CB 2061 N N . MET A 273 ? 0.0754 0.0924 0.0851 -0.0056 -0.0152 -0.0039 273 MET A N 2062 C CA . MET A 273 ? 0.0799 0.0932 0.0890 -0.0042 -0.0108 -0.0080 273 MET A CA 2063 C C . MET A 273 ? 0.0947 0.0838 0.0824 0.0017 -0.0169 -0.0044 273 MET A C 2064 O O . MET A 273 ? 0.0959 0.0882 0.0942 -0.0080 -0.0226 -0.0044 273 MET A O 2065 C CB . MET A 273 ? 0.0848 0.0901 0.0949 -0.0137 -0.0137 0.0032 273 MET A CB 2066 C CG . MET A 273 ? 0.0850 0.1008 0.1100 -0.0066 -0.0054 0.0135 273 MET A CG 2067 S SD . MET A 273 ? 0.0937 0.0988 0.1334 -0.0023 0.0050 0.0118 273 MET A SD 2068 C CE . MET A 273 ? 0.0912 0.1147 0.3634 -0.0140 0.0195 -0.0537 273 MET A CE 2069 N N . SER A 274 ? 0.0963 0.0941 0.0783 -0.0081 -0.0180 0.0026 274 SER A N 2070 C CA . SER A 274 ? 0.1034 0.0969 0.0788 -0.0144 -0.0150 0.0069 274 SER A CA 2071 C C . SER A 274 ? 0.0765 0.1107 0.0933 -0.0093 -0.0111 -0.0031 274 SER A C 2072 O O . SER A 274 ? 0.1057 0.1273 0.0964 0.0006 -0.0285 -0.0174 274 SER A O 2073 C CB A SER A 274 ? 0.0660 0.0692 0.0518 0.0029 -0.0299 -0.0047 274 SER A CB 2074 O OG A SER A 274 ? 0.0772 0.0999 0.0667 0.0067 -0.0081 -0.0047 274 SER A OG 2075 O OG B SER A 274 ? 0.7388 0.6903 0.4080 0.2014 -0.3714 -0.0328 274 SER A OG 2076 O OG C SER A 274 ? 0.2251 0.7208 0.1691 0.2527 0.0172 0.0949 274 SER A OG 2077 N N . LYS A 275 ? 0.0925 0.0940 0.0863 -0.0085 -0.0111 0.0011 275 LYS A N 2078 C CA . LYS A 275 ? 0.1028 0.0976 0.0860 -0.0120 -0.0083 0.0232 275 LYS A CA 2079 C C . LYS A 275 ? 0.0919 0.1010 0.0827 -0.0072 -0.0109 0.0084 275 LYS A C 2080 O O . LYS A 275 ? 0.0912 0.1381 0.0828 -0.0004 -0.0163 0.0108 275 LYS A O 2081 C CB A LYS A 275 ? 0.0836 0.1013 0.1229 0.0044 0.0035 -0.0062 275 LYS A CB 2082 C CB B LYS A 275 ? 0.1410 0.0853 0.1347 -0.0049 0.0011 0.0390 275 LYS A CB 2083 C CG A LYS A 275 ? 0.1148 0.1024 0.0596 0.0070 0.0006 0.0080 275 LYS A CG 2084 C CG B LYS A 275 ? 0.1770 0.1176 0.2267 -0.0398 0.0421 0.0246 275 LYS A CG 2085 C CD A LYS A 275 ? 0.2098 0.0795 0.1686 -0.0172 0.0029 0.0235 275 LYS A CD 2086 C CD B LYS A 275 ? 0.3474 0.0979 0.2698 -0.0830 -0.0803 0.0731 275 LYS A CD 2087 C CE A LYS A 275 ? 0.1473 0.1117 0.1882 -0.0079 -0.0418 -0.0210 275 LYS A CE 2088 C CE B LYS A 275 ? 0.4202 0.1091 0.1602 -0.0057 -0.0373 -0.0199 275 LYS A CE 2089 N NZ A LYS A 275 ? 0.1769 0.0787 0.1244 0.0012 0.0232 -0.0001 275 LYS A NZ 2090 N NZ B LYS A 275 ? 0.5181 0.1074 0.1387 -0.0214 -0.0387 -0.0111 275 LYS A NZ 2091 N N . LEU A 276 ? 0.0764 0.0851 0.0790 -0.0098 -0.0118 0.0068 276 LEU A N 2092 C CA . LEU A 276 ? 0.0830 0.0817 0.0711 -0.0124 -0.0109 0.0037 276 LEU A CA 2093 C C . LEU A 276 ? 0.0831 0.0826 0.0763 -0.0084 -0.0058 -0.0095 276 LEU A C 2094 O O . LEU A 276 ? 0.0822 0.0906 0.0843 -0.0097 -0.0129 -0.0087 276 LEU A O 2095 C CB . LEU A 276 ? 0.0781 0.1070 0.0677 -0.0122 -0.0025 -0.0042 276 LEU A CB 2096 C CG A LEU A 276 ? 0.0556 0.0909 0.0750 0.0091 -0.0160 0.0150 276 LEU A CG 2097 C CG B LEU A 276 ? 0.1202 0.1521 0.1008 -0.0772 0.0036 -0.0002 276 LEU A CG 2098 C CD1 A LEU A 276 ? 0.0808 0.0604 0.0921 -0.0075 0.0252 -0.0076 276 LEU A CD1 2099 C CD1 B LEU A 276 ? 0.2043 0.5242 0.1072 -0.2004 0.0546 -0.0527 276 LEU A CD1 2100 C CD2 A LEU A 276 ? 0.0742 0.1523 0.0875 -0.0284 -0.0195 0.0446 276 LEU A CD2 2101 C CD2 B LEU A 276 ? 0.1529 0.1588 0.4569 -0.0588 -0.0127 0.0805 276 LEU A CD2 2102 N N . ALA A 277 ? 0.0812 0.0871 0.0896 -0.0127 -0.0108 -0.0092 277 ALA A N 2103 C CA . ALA A 277 ? 0.0752 0.0821 0.0840 -0.0071 -0.0065 -0.0047 277 ALA A CA 2104 C C . ALA A 277 ? 0.0789 0.0948 0.0973 0.0015 -0.0162 -0.0089 277 ALA A C 2105 O O . ALA A 277 ? 0.0949 0.1076 0.1026 -0.0101 -0.0097 -0.0349 277 ALA A O 2106 C CB . ALA A 277 ? 0.0814 0.1091 0.0863 0.0031 -0.0116 -0.0116 277 ALA A CB 2107 N N . VAL A 278 ? 0.0828 0.1086 0.0793 0.0046 -0.0159 -0.0126 278 VAL A N 2108 C CA . VAL A 278 ? 0.1003 0.1325 0.0696 0.0129 -0.0157 -0.0127 278 VAL A CA 2109 C C . VAL A 278 ? 0.0879 0.1242 0.0890 0.0038 -0.0125 -0.0049 278 VAL A C 2110 O O . VAL A 278 ? 0.0874 0.1149 0.0826 -0.0018 -0.0097 -0.0014 278 VAL A O 2111 C CB . VAL A 278 ? 0.1084 0.1944 0.0796 0.0256 0.0006 -0.0163 278 VAL A CB 2112 C CG1 . VAL A 278 ? 0.1375 0.2329 0.1113 0.0668 0.0039 -0.0171 278 VAL A CG1 2113 C CG2 . VAL A 278 ? 0.0824 0.2052 0.1087 0.0039 0.0017 0.0062 278 VAL A CG2 2114 N N . LEU A 279 ? 0.0861 0.0912 0.0815 -0.0031 -0.0065 -0.0032 279 LEU A N 2115 C CA . LEU A 279 ? 0.0834 0.0945 0.0833 -0.0050 -0.0081 0.0112 279 LEU A CA 2116 C C . LEU A 279 ? 0.0770 0.0850 0.0845 -0.0023 0.0006 -0.0006 279 LEU A C 2117 O O . LEU A 279 ? 0.0899 0.0975 0.0832 -0.0177 0.0014 0.0098 279 LEU A O 2118 C CB . LEU A 279 ? 0.0794 0.0920 0.0914 -0.0089 -0.0066 -0.0088 279 LEU A CB 2119 C CG . LEU A 279 ? 0.0833 0.0900 0.0902 -0.0146 -0.0127 0.0003 279 LEU A CG 2120 C CD1 . LEU A 279 ? 0.1362 0.1445 0.0937 -0.0482 0.0128 -0.0330 279 LEU A CD1 2121 C CD2 . LEU A 279 ? 0.2184 0.0990 0.0921 -0.0492 -0.0179 0.0013 279 LEU A CD2 2122 N N . GLY A 280 ? 0.0829 0.1025 0.0784 -0.0079 -0.0039 0.0053 280 GLY A N 2123 C CA . GLY A 280 ? 0.0830 0.1228 0.0911 -0.0038 -0.0052 -0.0041 280 GLY A CA 2124 C C . GLY A 280 ? 0.0918 0.1105 0.0816 -0.0116 -0.0072 0.0062 280 GLY A C 2125 O O . GLY A 280 ? 0.1021 0.1593 0.0758 -0.0225 -0.0061 -0.0005 280 GLY A O 2126 N N . HIS A 281 ? 0.0888 0.1090 0.0862 -0.0073 0.0013 0.0004 281 HIS A N 2127 C CA . HIS A 281 ? 0.1027 0.1049 0.0844 -0.0050 0.0078 0.0071 281 HIS A CA 2128 C C . HIS A 281 ? 0.1131 0.0944 0.1004 -0.0010 0.0159 0.0003 281 HIS A C 2129 O O . HIS A 281 ? 0.1337 0.1304 0.0891 -0.0335 0.0179 0.0042 281 HIS A O 2130 C CB . HIS A 281 ? 0.1112 0.0985 0.0813 -0.0022 0.0070 0.0051 281 HIS A CB 2131 C CG . HIS A 281 ? 0.1260 0.0981 0.0844 -0.0086 0.0162 -0.0072 281 HIS A CG 2132 N ND1 . HIS A 281 ? 0.1325 0.1257 0.0945 -0.0073 0.0070 0.0091 281 HIS A ND1 2133 C CD2 . HIS A 281 ? 0.1336 0.0864 0.0745 -0.0126 -0.0099 0.0063 281 HIS A CD2 2134 C CE1 . HIS A 281 ? 0.1112 0.0654 0.0948 0.0144 0.0273 0.0139 281 HIS A CE1 2135 N NE2 . HIS A 281 ? 0.1694 0.1304 0.1264 -0.0290 -0.0002 0.0078 281 HIS A NE2 2136 N N . ASN A 282 ? 0.1278 0.1185 0.0901 -0.0181 0.0228 0.0117 282 ASN A N 2137 C CA . ASN A 282 ? 0.1434 0.1092 0.1043 -0.0225 0.0299 0.0003 282 ASN A CA 2138 C C . ASN A 282 ? 0.1327 0.1164 0.1127 -0.0264 0.0356 -0.0139 282 ASN A C 2139 O O . ASN A 282 ? 0.1491 0.1081 0.1268 -0.0154 0.0125 -0.0095 282 ASN A O 2140 C CB . ASN A 282 ? 0.1662 0.1403 0.1016 -0.0294 0.0369 0.0051 282 ASN A CB 2141 C CG . ASN A 282 ? 0.1659 0.1067 0.1137 -0.0194 0.0395 -0.0026 282 ASN A CG 2142 O OD1 . ASN A 282 ? 0.1600 0.1429 0.1872 -0.0168 0.0283 0.0503 282 ASN A OD1 2143 N ND2 . ASN A 282 ? 0.1875 0.1793 0.1084 -0.0372 0.0240 0.0202 282 ASN A ND2 2144 N N . ARG A 283 ? 0.1408 0.1265 0.1122 -0.0212 0.0295 -0.0178 283 ARG A N 2145 C CA . ARG A 283 ? 0.1611 0.1429 0.1128 0.0018 0.0215 -0.0112 283 ARG A CA 2146 C C . ARG A 283 ? 0.1566 0.1190 0.1063 0.0013 0.0163 -0.0045 283 ARG A C 2147 O O . ARG A 283 ? 0.1741 0.1311 0.1074 0.0214 0.0080 0.0036 283 ARG A O 2148 C CB . ARG A 283 ? 0.1768 0.1629 0.1232 -0.0134 0.0156 -0.0232 283 ARG A CB 2149 C CG . ARG A 283 ? 0.2158 0.1419 0.1388 -0.0165 0.0123 -0.0132 283 ARG A CG 2150 C CD . ARG A 283 ? 0.2473 0.1425 0.1332 -0.0419 0.0000 0.0003 283 ARG A CD 2151 N NE . ARG A 283 ? 0.2265 0.2308 0.1601 -0.0333 -0.0027 0.0496 283 ARG A NE 2152 C CZ . ARG A 283 ? 0.1760 0.1743 0.1363 -0.0386 0.0126 0.0000 283 ARG A CZ 2153 N NH1 . ARG A 283 ? 0.1786 0.1467 0.1206 -0.0291 0.0021 0.0065 283 ARG A NH1 2154 N NH2 . ARG A 283 ? 0.2289 0.2079 0.2371 0.0089 0.0909 0.0677 283 ARG A NH2 2155 N N . ASN A 284 ? 0.1405 0.1147 0.1088 -0.0012 0.0176 -0.0001 284 ASN A N 2156 C CA . ASN A 284 ? 0.1235 0.1379 0.0992 0.0150 0.0070 0.0054 284 ASN A CA 2157 C C . ASN A 284 ? 0.1418 0.1233 0.0814 0.0244 0.0087 0.0159 284 ASN A C 2158 O O . ASN A 284 ? 0.1702 0.1396 0.0988 0.0091 0.0187 0.0032 284 ASN A O 2159 C CB . ASN A 284 ? 0.1409 0.1538 0.1240 -0.0124 0.0258 0.0242 284 ASN A CB 2160 C CG . ASN A 284 ? 0.1607 0.1615 0.1665 -0.0212 0.0179 0.0187 284 ASN A CG 2161 O OD1 . ASN A 284 ? 0.2127 0.1508 0.3038 -0.0028 0.0178 0.0089 284 ASN A OD1 2162 N ND2 . ASN A 284 ? 0.1597 0.2307 0.2162 -0.0262 0.0066 -0.0504 284 ASN A ND2 2163 N N . SER A 285 ? 0.1466 0.1186 0.0991 0.0158 0.0050 -0.0031 285 SER A N 2164 C CA . SER A 285 ? 0.1463 0.1338 0.0911 0.0102 -0.0039 0.0019 285 SER A CA 2165 C C . SER A 285 ? 0.1042 0.1326 0.0763 -0.0069 -0.0017 -0.0022 285 SER A C 2166 O O . SER A 285 ? 0.1369 0.1532 0.0903 -0.0319 -0.0189 0.0113 285 SER A O 2167 C CB . SER A 285 ? 0.1726 0.1753 0.1661 0.0306 -0.0588 -0.0127 285 SER A CB 2168 O OG . SER A 285 ? 0.2794 0.2316 0.2125 0.0283 -0.1033 0.0287 285 SER A OG 2169 N N . LEU A 286 ? 0.1216 0.1175 0.0791 -0.0153 -0.0083 0.0038 286 LEU A N 2170 C CA . LEU A 286 ? 0.1050 0.1054 0.0763 -0.0181 -0.0079 0.0014 286 LEU A CA 2171 C C . LEU A 286 ? 0.1155 0.1174 0.0830 -0.0093 0.0012 -0.0044 286 LEU A C 2172 O O . LEU A 286 ? 0.1092 0.1210 0.1407 -0.0126 0.0027 -0.0076 286 LEU A O 2173 C CB . LEU A 286 ? 0.1023 0.1240 0.0792 -0.0076 -0.0026 0.0079 286 LEU A CB 2174 C CG . LEU A 286 ? 0.1008 0.1404 0.0809 -0.0072 -0.0061 -0.0042 286 LEU A CG 2175 C CD1 . LEU A 286 ? 0.1186 0.1840 0.0905 -0.0080 0.0140 -0.0116 286 LEU A CD1 2176 C CD2 . LEU A 286 ? 0.1147 0.1516 0.1214 -0.0327 0.0129 -0.0005 286 LEU A CD2 2177 N N . ILE A 287 ? 0.1157 0.1197 0.0849 -0.0141 0.0014 0.0153 287 ILE A N 2178 C CA . ILE A 287 ? 0.1099 0.1214 0.0960 -0.0067 0.0007 0.0021 287 ILE A CA 2179 C C . ILE A 287 ? 0.0996 0.1168 0.0893 -0.0132 0.0092 -0.0042 287 ILE A C 2180 O O . ILE A 287 ? 0.1131 0.1765 0.0845 -0.0212 0.0014 -0.0027 287 ILE A O 2181 C CB . ILE A 287 ? 0.1524 0.1332 0.1066 -0.0149 -0.0044 -0.0225 287 ILE A CB 2182 C CG1 A ILE A 287 ? 0.1484 0.1094 0.1439 0.0543 -0.0384 0.0007 287 ILE A CG1 2183 C CG1 B ILE A 287 ? 0.1374 0.1157 0.0941 -0.0070 -0.0237 -0.0216 287 ILE A CG1 2184 C CG2 A ILE A 287 ? 0.2698 0.1250 0.1509 -0.0372 0.0078 -0.0050 287 ILE A CG2 2185 C CG2 B ILE A 287 ? 0.1892 0.1406 0.1071 -0.0217 -0.0331 0.0015 287 ILE A CG2 2186 C CD1 A ILE A 287 ? 0.1264 0.1506 0.1433 0.0174 -0.0032 -0.0221 287 ILE A CD1 2187 C CD1 B ILE A 287 ? 0.2455 0.1287 0.1415 0.0410 0.0304 0.0198 287 ILE A CD1 2188 N N . ASP A 288 ? 0.1109 0.1762 0.0792 0.0000 0.0071 -0.0119 288 ASP A N 2189 C CA . ASP A 288 ? 0.1022 0.1544 0.0904 0.0046 0.0007 -0.0054 288 ASP A CA 2190 C C . ASP A 288 ? 0.1007 0.1528 0.1111 0.0189 0.0013 -0.0139 288 ASP A C 2191 O O . ASP A 288 ? 0.1337 0.1809 0.1387 0.0393 0.0332 -0.0066 288 ASP A O 2192 C CB . ASP A 288 ? 0.1137 0.1790 0.1186 -0.0170 0.0032 -0.0162 288 ASP A CB 2193 C CG . ASP A 288 ? 0.1225 0.1941 0.1262 -0.0301 -0.0065 -0.0159 288 ASP A CG 2194 O OD1 . ASP A 288 ? 0.2597 0.2038 0.1642 -0.0991 -0.0398 0.0011 288 ASP A OD1 2195 O OD2 . ASP A 288 ? 0.1523 0.1345 0.1213 -0.0036 -0.0234 -0.0087 288 ASP A OD2 2196 N N . CYS A 289 ? 0.0952 0.1296 0.0994 0.0253 0.0048 -0.0157 289 CYS A N 2197 C CA . CYS A 289 ? 0.1145 0.1300 0.1177 0.0117 -0.0215 -0.0182 289 CYS A CA 2198 C C . CYS A 289 ? 0.1050 0.1266 0.1066 0.0143 -0.0149 -0.0186 289 CYS A C 2199 O O . CYS A 289 ? 0.1090 0.1329 0.1143 0.0116 -0.0164 -0.0168 289 CYS A O 2200 C CB . CYS A 289 ? 0.1367 0.1265 0.1169 0.0024 -0.0354 -0.0207 289 CYS A CB 2201 S SG . CYS A 289 ? 0.2003 0.1435 0.1184 0.0050 -0.0587 -0.0158 289 CYS A SG 2202 N N . SER A 290 ? 0.1088 0.1210 0.0942 0.0193 -0.0079 -0.0157 290 SER A N 2203 C CA . SER A 290 ? 0.1094 0.1125 0.0992 0.0117 -0.0175 -0.0169 290 SER A CA 2204 C C . SER A 290 ? 0.1030 0.1264 0.1063 0.0193 -0.0208 -0.0185 290 SER A C 2205 O O . SER A 290 ? 0.1178 0.1083 0.1063 0.0100 -0.0104 -0.0141 290 SER A O 2206 C CB . SER A 290 ? 0.0941 0.1280 0.1117 0.0096 -0.0109 -0.0124 290 SER A CB 2207 O OG . SER A 290 ? 0.1107 0.1162 0.1072 0.0107 -0.0079 -0.0205 290 SER A OG 2208 N N . ASP A 291 ? 0.0975 0.1217 0.1040 0.0117 -0.0130 -0.0116 291 ASP A N 2209 C CA . ASP A 291 ? 0.1019 0.1280 0.1071 0.0229 -0.0043 -0.0150 291 ASP A CA 2210 C C . ASP A 291 ? 0.1078 0.1146 0.1219 0.0249 -0.0083 -0.0127 291 ASP A C 2211 O O . ASP A 291 ? 0.1124 0.1443 0.1467 0.0274 -0.0184 0.0024 291 ASP A O 2212 C CB A ASP A 291 ? 0.1042 0.1837 0.1318 0.0217 0.0115 -0.0163 291 ASP A CB 2213 C CG A ASP A 291 ? 0.0720 0.1199 0.1051 0.0009 0.0514 -0.0117 291 ASP A CG 2214 C CG B ASP A 291 ? 0.2242 0.3033 0.3623 0.0216 0.0094 0.1102 291 ASP A CG 2215 O OD1 A ASP A 291 ? 0.1871 0.2036 0.1356 0.0923 0.0187 -0.0458 291 ASP A OD1 2216 O OD1 B ASP A 291 ? 0.2680 0.2321 0.3730 0.0282 0.0998 -0.0346 291 ASP A OD1 2217 O OD2 A ASP A 291 ? 0.1002 0.1962 0.1553 0.0487 -0.0108 -0.0832 291 ASP A OD2 2218 O OD2 B ASP A 291 ? 0.2259 0.2563 0.2249 -0.0126 0.0249 -0.0113 291 ASP A OD2 2219 N N . VAL A 292 ? 0.1053 0.1287 0.0991 0.0142 -0.0145 -0.0138 292 VAL A N 2220 C CA . VAL A 292 ? 0.1061 0.1246 0.0982 0.0262 -0.0069 -0.0185 292 VAL A CA 2221 C C . VAL A 292 ? 0.1234 0.1151 0.0905 0.0038 -0.0077 -0.0176 292 VAL A C 2222 O O . VAL A 292 ? 0.1140 0.1222 0.1113 0.0082 0.0017 -0.0179 292 VAL A O 2223 C CB . VAL A 292 ? 0.1345 0.1364 0.0953 0.0014 -0.0031 -0.0178 292 VAL A CB 2224 C CG1 . VAL A 292 ? 0.1689 0.1527 0.1227 0.0282 -0.0043 -0.0529 292 VAL A CG1 2225 C CG2 . VAL A 292 ? 0.1045 0.1666 0.1208 -0.0005 -0.0130 -0.0232 292 VAL A CG2 2226 N N . VAL A 293 ? 0.0993 0.1121 0.0925 0.0210 -0.0031 -0.0092 293 VAL A N 2227 C CA . VAL A 293 ? 0.1014 0.1165 0.0882 0.0103 -0.0139 -0.0187 293 VAL A CA 2228 C C . VAL A 293 ? 0.1063 0.1082 0.0853 0.0222 -0.0043 -0.0177 293 VAL A C 2229 O O . VAL A 293 ? 0.0977 0.1480 0.0977 0.0224 -0.0028 -0.0104 293 VAL A O 2230 C CB . VAL A 293 ? 0.1048 0.1214 0.0911 0.0288 -0.0022 -0.0061 293 VAL A CB 2231 C CG1 . VAL A 293 ? 0.1265 0.1199 0.0966 0.0327 -0.0095 -0.0153 293 VAL A CG1 2232 C CG2 . VAL A 293 ? 0.1233 0.1359 0.1022 0.0252 -0.0144 -0.0061 293 VAL A CG2 2233 N N . PRO A 294 ? 0.1085 0.1113 0.1002 0.0224 -0.0144 -0.0065 294 PRO A N 2234 C CA . PRO A 294 ? 0.1374 0.1292 0.0870 0.0366 -0.0180 -0.0081 294 PRO A CA 2235 C C . PRO A 294 ? 0.1195 0.1247 0.0885 0.0334 -0.0155 -0.0020 294 PRO A C 2236 O O . PRO A 294 ? 0.1220 0.1280 0.1101 0.0344 -0.0188 -0.0041 294 PRO A O 2237 C CB . PRO A 294 ? 0.1771 0.1410 0.1046 -0.0026 -0.0202 0.0114 294 PRO A CB 2238 C CG . PRO A 294 ? 0.1731 0.1399 0.1224 0.0047 -0.0096 -0.0004 294 PRO A CG 2239 C CD . PRO A 294 ? 0.1335 0.1605 0.0994 -0.0009 -0.0020 0.0086 294 PRO A CD 2240 N N . VAL A 295 ? 0.1262 0.1514 0.1211 0.0494 -0.0229 -0.0319 295 VAL A N 2241 C CA . VAL A 295 ? 0.1116 0.1679 0.1055 0.0337 -0.0085 -0.0197 295 VAL A CA 2242 C C . VAL A 295 ? 0.1168 0.1230 0.0963 0.0199 -0.0163 -0.0049 295 VAL A C 2243 O O . VAL A 295 ? 0.1512 0.1148 0.1236 0.0106 -0.0104 -0.0079 295 VAL A O 2244 C CB . VAL A 295 ? 0.1210 0.2408 0.1497 0.0691 -0.0335 -0.0635 295 VAL A CB 2245 C CG1 . VAL A 295 ? 0.1268 0.2813 0.1958 0.0387 -0.0365 -0.0778 295 VAL A CG1 2246 C CG2 . VAL A 295 ? 0.1239 0.2837 0.1958 0.0351 0.0234 -0.0993 295 VAL A CG2 2247 N N . PRO A 296 ? 0.0923 0.1192 0.0983 0.0036 -0.0115 -0.0067 296 PRO A N 2248 C CA . PRO A 296 ? 0.0842 0.1226 0.1011 0.0118 -0.0095 -0.0038 296 PRO A CA 2249 C C . PRO A 296 ? 0.0941 0.1255 0.0994 0.0143 -0.0102 0.0006 296 PRO A C 2250 O O . PRO A 296 ? 0.0895 0.1544 0.1127 0.0110 -0.0158 0.0032 296 PRO A O 2251 C CB . PRO A 296 ? 0.0950 0.1247 0.1034 0.0184 -0.0076 0.0029 296 PRO A CB 2252 C CG . PRO A 296 ? 0.1205 0.1287 0.1303 -0.0044 0.0014 -0.0084 296 PRO A CG 2253 C CD . PRO A 296 ? 0.1255 0.1288 0.0966 0.0177 -0.0037 0.0023 296 PRO A CD 2254 N N . LYS A 297 ? 0.0808 0.1139 0.1028 0.0081 -0.0137 -0.0048 297 LYS A N 2255 C CA . LYS A 297 ? 0.1083 0.1136 0.0931 0.0179 -0.0152 -0.0047 297 LYS A CA 2256 C C . LYS A 297 ? 0.0923 0.1354 0.0754 0.0101 -0.0153 -0.0161 297 LYS A C 2257 O O . LYS A 297 ? 0.1030 0.1216 0.1040 0.0129 -0.0055 -0.0186 297 LYS A O 2258 C CB . LYS A 297 ? 0.1027 0.1145 0.1042 0.0172 -0.0190 -0.0013 297 LYS A CB 2259 C CG . LYS A 297 ? 0.1203 0.1183 0.1300 0.0095 -0.0124 0.0042 297 LYS A CG 2260 C CD . LYS A 297 ? 0.1314 0.1306 0.1210 0.0017 -0.0187 0.0091 297 LYS A CD 2261 C CE . LYS A 297 ? 0.1341 0.1345 0.1307 -0.0008 -0.0154 -0.0027 297 LYS A CE 2262 N NZ . LYS A 297 ? 0.1330 0.1396 0.1463 0.0071 -0.0085 0.0154 297 LYS A NZ 2263 N N . PRO A 298 ? 0.0993 0.1493 0.1178 0.0081 -0.0288 -0.0126 298 PRO A N 2264 C CA . PRO A 298 ? 0.1038 0.1642 0.1228 -0.0061 -0.0187 -0.0270 298 PRO A CA 2265 C C . PRO A 298 ? 0.1094 0.1743 0.1050 -0.0146 -0.0253 -0.0279 298 PRO A C 2266 O O . PRO A 298 ? 0.1598 0.1939 0.1190 0.0053 -0.0165 -0.0191 298 PRO A O 2267 C CB . PRO A 298 ? 0.0985 0.2195 0.1596 -0.0061 -0.0248 -0.0477 298 PRO A CB 2268 C CG . PRO A 298 ? 0.1230 0.2112 0.2647 0.0327 -0.0621 -0.0558 298 PRO A CG 2269 C CD . PRO A 298 ? 0.1055 0.1585 0.1993 0.0205 -0.0342 0.0036 298 PRO A CD 2270 N N . ALA A 299 ? 0.1144 0.1803 0.1362 -0.0137 -0.0310 -0.0422 299 ALA A N 2271 C CA . ALA A 299 ? 0.0987 0.1738 0.1327 -0.0095 -0.0234 -0.0396 299 ALA A CA 2272 C C . ALA A 299 ? 0.1248 0.1810 0.1299 0.0121 -0.0332 -0.0534 299 ALA A C 2273 O O . ALA A 299 ? 0.1200 0.2720 0.1626 0.0346 -0.0452 -0.0997 299 ALA A O 2274 C CB . ALA A 299 ? 0.1186 0.1762 0.1806 0.0103 -0.0204 -0.0445 299 ALA A CB 2275 N N . THR A 300 ? 0.1265 0.1912 0.1460 0.0202 -0.0446 -0.0727 300 THR A N 2276 C CA . THR A 300 ? 0.1337 0.1627 0.1539 0.0184 -0.0540 -0.0312 300 THR A CA 2277 C C . THR A 300 ? 0.1112 0.1562 0.1575 0.0286 -0.0357 -0.0696 300 THR A C 2278 O O . THR A 300 ? 0.1149 0.1740 0.1973 0.0253 -0.0406 -0.0472 300 THR A O 2279 C CB . THR A 300 ? 0.1144 0.1941 0.1653 0.0279 -0.0317 -0.0438 300 THR A CB 2280 O OG1 . THR A 300 ? 0.1484 0.1833 0.1622 0.0282 -0.0241 -0.0197 300 THR A OG1 2281 C CG2 . THR A 300 ? 0.1622 0.1765 0.1734 0.0294 -0.0329 -0.0099 300 THR A CG2 2282 N N . GLY A 301 ? 0.1028 0.1569 0.1373 0.0167 -0.0169 -0.0536 301 GLY A N 2283 C CA . GLY A 301 ? 0.1286 0.1826 0.1246 0.0002 -0.0108 -0.0312 301 GLY A CA 2284 C C . GLY A 301 ? 0.1209 0.1659 0.1289 -0.0200 -0.0054 -0.0392 301 GLY A C 2285 O O . GLY A 301 ? 0.1544 0.1478 0.1560 -0.0166 -0.0165 -0.0004 301 GLY A O 2286 N N . GLN A 302 ? 0.1013 0.1120 0.1219 0.0026 -0.0181 -0.0281 302 GLN A N 2287 C CA . GLN A 302 ? 0.0948 0.1091 0.1223 0.0064 -0.0186 -0.0297 302 GLN A CA 2288 C C . GLN A 302 ? 0.0885 0.1095 0.0915 0.0013 -0.0231 -0.0077 302 GLN A C 2289 O O . GLN A 302 ? 0.0945 0.1307 0.1272 0.0036 -0.0340 -0.0212 302 GLN A O 2290 C CB A GLN A 302 ? 0.0971 0.1117 0.1212 0.0348 -0.0159 -0.0034 302 GLN A CB 2291 C CB B GLN A 302 ? 0.2478 0.1301 0.1163 -0.0228 -0.0681 0.0075 302 GLN A CB 2292 C CG A GLN A 302 ? 0.1678 0.1156 0.1209 0.0700 -0.0643 -0.0432 302 GLN A CG 2293 C CG B GLN A 302 ? 0.2207 0.1130 0.1334 0.0266 -0.0190 -0.0094 302 GLN A CG 2294 C CD A GLN A 302 ? 0.2066 0.1005 0.1412 0.0703 -0.0730 -0.0050 302 GLN A CD 2295 C CD B GLN A 302 ? 0.1490 0.2207 0.1263 -0.0772 -0.0319 0.0294 302 GLN A CD 2296 O OE1 A GLN A 302 ? 0.2988 0.1142 0.1644 -0.0561 -0.1045 0.0294 302 GLN A OE1 2297 O OE1 B GLN A 302 ? 0.1501 0.1531 0.1242 -0.0060 -0.0180 0.0048 302 GLN A OE1 2298 N NE2 A GLN A 302 ? 0.1383 0.2014 0.1274 0.0932 -0.0438 -0.0148 302 GLN A NE2 2299 N NE2 B GLN A 302 ? 0.1618 0.1553 0.1339 0.0073 -0.0192 -0.0133 302 GLN A NE2 2300 N N . PRO A 303 ? 0.1059 0.1032 0.1021 0.0035 -0.0276 -0.0089 303 PRO A N 2301 C CA . PRO A 303 ? 0.1070 0.0913 0.1066 0.0013 -0.0186 0.0109 303 PRO A CA 2302 C C . PRO A 303 ? 0.1112 0.1004 0.0761 0.0066 -0.0167 0.0008 303 PRO A C 2303 O O . PRO A 303 ? 0.1196 0.1077 0.1050 0.0052 -0.0002 0.0059 303 PRO A O 2304 C CB . PRO A 303 ? 0.1227 0.1134 0.1032 0.0062 -0.0215 -0.0073 303 PRO A CB 2305 C CG A PRO A 303 ? 0.1087 0.1196 0.0745 -0.0089 -0.0316 -0.0022 303 PRO A CG 2306 C CG B PRO A 303 ? 0.3606 0.1798 0.2853 0.1151 -0.2584 -0.1219 303 PRO A CG 2307 C CD . PRO A 303 ? 0.1360 0.1108 0.1659 0.0147 -0.0789 -0.0262 303 PRO A CD 2308 N N . ALA A 304 ? 0.1071 0.1226 0.0775 0.0044 -0.0127 0.0042 304 ALA A N 2309 C CA . ALA A 304 ? 0.0987 0.1175 0.0844 0.0022 -0.0173 -0.0097 304 ALA A CA 2310 C C . ALA A 304 ? 0.1051 0.0909 0.0828 0.0005 -0.0203 -0.0050 304 ALA A C 2311 O O . ALA A 304 ? 0.1046 0.1123 0.0942 -0.0103 -0.0237 -0.0103 304 ALA A O 2312 C CB . ALA A 304 ? 0.1170 0.1391 0.0776 0.0123 -0.0114 0.0064 304 ALA A CB 2313 N N . MET A 305 ? 0.0891 0.1321 0.0851 -0.0005 -0.0209 0.0020 305 MET A N 2314 C CA . MET A 305 ? 0.1021 0.0935 0.0870 0.0000 -0.0143 -0.0105 305 MET A CA 2315 C C . MET A 305 ? 0.1028 0.0964 0.0811 0.0030 -0.0180 0.0077 305 MET A C 2316 O O . MET A 305 ? 0.0991 0.1237 0.1087 -0.0054 -0.0214 -0.0098 305 MET A O 2317 C CB . MET A 305 ? 0.1064 0.1007 0.0847 0.0070 -0.0179 -0.0073 305 MET A CB 2318 C CG . MET A 305 ? 0.0951 0.0937 0.1239 -0.0029 -0.0283 0.0037 305 MET A CG 2319 S SD . MET A 305 ? 0.1165 0.1156 0.1627 0.0178 -0.0156 0.0057 305 MET A SD 2320 C CE . MET A 305 ? 0.0959 0.0718 0.1609 0.0231 0.0061 0.0011 305 MET A CE 2321 N N . PHE A 306 ? 0.0966 0.1013 0.0866 0.0028 -0.0118 -0.0027 306 PHE A N 2322 C CA . PHE A 306 ? 0.1034 0.1146 0.0818 0.0096 -0.0127 0.0079 306 PHE A CA 2323 C C . PHE A 306 ? 0.1072 0.1176 0.0842 0.0034 -0.0039 0.0050 306 PHE A C 2324 O O . PHE A 306 ? 0.1151 0.1141 0.1033 0.0039 -0.0114 0.0173 306 PHE A O 2325 C CB . PHE A 306 ? 0.1108 0.1133 0.0897 0.0139 -0.0055 0.0027 306 PHE A CB 2326 C CG . PHE A 306 ? 0.1129 0.1144 0.0819 0.0101 -0.0108 -0.0020 306 PHE A CG 2327 C CD1 . PHE A 306 ? 0.1064 0.1116 0.1343 0.0064 -0.0124 0.0015 306 PHE A CD1 2328 C CD2 . PHE A 306 ? 0.1070 0.1076 0.1057 0.0114 -0.0126 -0.0052 306 PHE A CD2 2329 C CE1 . PHE A 306 ? 0.1344 0.1108 0.1714 0.0004 0.0026 -0.0005 306 PHE A CE1 2330 C CE2 . PHE A 306 ? 0.1281 0.1196 0.1234 0.0135 -0.0201 -0.0004 306 PHE A CE2 2331 C CZ . PHE A 306 ? 0.1555 0.0902 0.1327 0.0098 0.0073 0.0113 306 PHE A CZ 2332 N N . PRO A 307 ? 0.1156 0.1315 0.0866 -0.0082 -0.0071 0.0082 307 PRO A N 2333 C CA . PRO A 307 ? 0.1360 0.1040 0.1076 -0.0220 -0.0170 -0.0021 307 PRO A CA 2334 C C . PRO A 307 ? 0.1116 0.1264 0.1007 -0.0108 0.0056 0.0082 307 PRO A C 2335 O O . PRO A 307 ? 0.1540 0.1214 0.0980 -0.0112 0.0003 0.0076 307 PRO A O 2336 C CB . PRO A 307 ? 0.1259 0.1889 0.1058 -0.0363 0.0020 0.0006 307 PRO A CB 2337 C CG . PRO A 307 ? 0.1396 0.2606 0.1368 -0.0740 -0.0376 0.0512 307 PRO A CG 2338 C CD . PRO A 307 ? 0.1172 0.1718 0.1035 0.0048 -0.0104 0.0212 307 PRO A CD 2339 N N . ALA A 308 ? 0.1374 0.1321 0.1094 -0.0036 0.0069 0.0142 308 ALA A N 2340 C CA . ALA A 308 ? 0.1595 0.1326 0.1044 -0.0143 -0.0145 0.0143 308 ALA A CA 2341 C C . ALA A 308 ? 0.1724 0.1287 0.0775 -0.0059 -0.0085 0.0139 308 ALA A C 2342 O O . ALA A 308 ? 0.1674 0.1510 0.1074 0.0012 -0.0065 0.0070 308 ALA A O 2343 C CB . ALA A 308 ? 0.1566 0.1730 0.1503 0.0043 -0.0064 0.0614 308 ALA A CB 2344 N N . SER A 309 ? 0.1864 0.1519 0.1002 -0.0026 -0.0052 0.0059 309 SER A N 2345 C CA . SER A 309 ? 0.1932 0.1686 0.0840 0.0007 0.0090 0.0023 309 SER A CA 2346 C C . SER A 309 ? 0.1723 0.1537 0.1135 -0.0060 -0.0045 0.0026 309 SER A C 2347 O O . SER A 309 ? 0.2376 0.1569 0.1697 0.0054 0.0489 0.0000 309 SER A O 2348 C CB . SER A 309 ? 0.1940 0.1601 0.1042 -0.0074 0.0289 0.0041 309 SER A CB 2349 O OG . SER A 309 ? 0.1811 0.1833 0.1383 -0.0143 -0.0014 0.0110 309 SER A OG 2350 N N . THR A 310 ? 0.1861 0.1371 0.1157 -0.0031 0.0012 0.0097 310 THR A N 2351 C CA . THR A 310 ? 0.1538 0.1109 0.1364 0.0135 -0.0003 -0.0043 310 THR A CA 2352 C C . THR A 310 ? 0.1508 0.1359 0.1300 0.0131 -0.0125 0.0084 310 THR A C 2353 O O . THR A 310 ? 0.1583 0.1620 0.1751 0.0280 -0.0187 -0.0014 310 THR A O 2354 C CB . THR A 310 ? 0.1520 0.0900 0.1356 -0.0224 0.0035 0.0123 310 THR A CB 2355 O OG1 . THR A 310 ? 0.1785 0.1337 0.1144 -0.0027 0.0120 0.0143 310 THR A OG1 2356 C CG2 . THR A 310 ? 0.1752 0.2413 0.1870 -0.0921 -0.0132 0.0587 310 THR A CG2 2357 N N . GLY A 311 ? 0.1248 0.1485 0.1426 0.0027 0.0019 0.0152 311 GLY A N 2358 C CA . GLY A 311 ? 0.1281 0.1373 0.1239 -0.0004 -0.0205 -0.0099 311 GLY A CA 2359 C C . GLY A 311 ? 0.1084 0.1378 0.1048 -0.0028 -0.0196 -0.0138 311 GLY A C 2360 O O . GLY A 311 ? 0.1145 0.1406 0.1039 -0.0070 -0.0230 -0.0030 311 GLY A O 2361 N N . PRO A 312 ? 0.1171 0.1637 0.1070 -0.0082 -0.0240 0.0048 312 PRO A N 2362 C CA . PRO A 312 ? 0.1282 0.1626 0.1061 -0.0345 -0.0102 -0.0101 312 PRO A CA 2363 C C . PRO A 312 ? 0.1163 0.1356 0.1062 -0.0397 -0.0307 -0.0072 312 PRO A C 2364 O O . PRO A 312 ? 0.1328 0.1605 0.1332 -0.0389 -0.0345 0.0133 312 PRO A O 2365 C CB . PRO A 312 ? 0.1293 0.2121 0.1481 -0.0418 0.0071 -0.0139 312 PRO A CB 2366 C CG . PRO A 312 ? 0.1283 0.2515 0.1899 -0.0261 -0.0248 0.0286 312 PRO A CG 2367 C CD . PRO A 312 ? 0.1097 0.2013 0.1411 -0.0087 -0.0169 -0.0249 312 PRO A CD 2368 N N . GLN A 313 ? 0.1144 0.1536 0.1126 -0.0274 -0.0275 -0.0151 313 GLN A N 2369 C CA . GLN A 313 ? 0.1312 0.1543 0.1184 -0.0282 -0.0337 -0.0377 313 GLN A CA 2370 C C . GLN A 313 ? 0.1202 0.1287 0.1188 -0.0138 -0.0331 -0.0231 313 GLN A C 2371 O O . GLN A 313 ? 0.1392 0.1432 0.1535 -0.0090 -0.0308 -0.0466 313 GLN A O 2372 C CB . GLN A 313 ? 0.1437 0.2262 0.1185 -0.0038 -0.0409 -0.0517 313 GLN A CB 2373 C CG . GLN A 313 ? 0.1530 0.3013 0.1047 -0.0283 -0.0280 0.0027 313 GLN A CG 2374 C CD . GLN A 313 ? 0.1646 0.2595 0.1526 -0.0407 -0.0219 0.0681 313 GLN A CD 2375 O OE1 . GLN A 313 ? 0.1611 0.2127 0.1361 -0.0472 -0.0296 0.0214 313 GLN A OE1 2376 N NE2 . GLN A 313 ? 0.3462 0.3124 0.2896 -0.0887 0.0512 0.1280 313 GLN A NE2 2377 N N . ASP A 314 ? 0.1051 0.1310 0.0814 -0.0144 -0.0148 -0.0196 314 ASP A N 2378 C CA . ASP A 314 ? 0.1047 0.1306 0.1064 -0.0134 -0.0160 -0.0088 314 ASP A CA 2379 C C . ASP A 314 ? 0.1047 0.1249 0.0951 -0.0066 -0.0191 -0.0285 314 ASP A C 2380 O O . ASP A 314 ? 0.1119 0.1702 0.1153 -0.0209 -0.0336 -0.0149 314 ASP A O 2381 C CB . ASP A 314 ? 0.1195 0.1328 0.1346 -0.0224 -0.0209 -0.0073 314 ASP A CB 2382 C CG . ASP A 314 ? 0.1331 0.1488 0.1497 -0.0054 0.0205 0.0236 314 ASP A CG 2383 O OD1 . ASP A 314 ? 0.1859 0.1683 0.1903 0.0194 0.0171 0.0415 314 ASP A OD1 2384 O OD2 . ASP A 314 ? 0.1796 0.2134 0.1497 0.0254 0.0290 0.0108 314 ASP A OD2 2385 N N . LEU A 315 ? 0.1034 0.1158 0.1030 -0.0033 -0.0234 -0.0056 315 LEU A N 2386 C CA . LEU A 315 ? 0.1314 0.0964 0.1102 0.0016 -0.0304 -0.0040 315 LEU A CA 2387 C C . LEU A 315 ? 0.1337 0.0953 0.0910 0.0046 -0.0322 -0.0194 315 LEU A C 2388 O O . LEU A 315 ? 0.1628 0.1192 0.1264 0.0094 -0.0490 -0.0350 315 LEU A O 2389 C CB . LEU A 315 ? 0.1541 0.1235 0.0995 0.0218 -0.0040 0.0010 315 LEU A CB 2390 C CG . LEU A 315 ? 0.1530 0.1473 0.1096 0.0375 -0.0121 0.0252 315 LEU A CG 2391 C CD1 . LEU A 315 ? 0.1549 0.1626 0.1426 0.0404 0.0228 0.0277 315 LEU A CD1 2392 C CD2 . LEU A 315 ? 0.2001 0.1318 0.1209 0.0456 -0.0030 0.0069 315 LEU A CD2 2393 N N . GLU A 316 ? 0.1354 0.0855 0.0950 0.0050 -0.0278 -0.0174 316 GLU A N 2394 C CA . GLU A 316 ? 0.1216 0.0876 0.1112 -0.0057 -0.0278 -0.0160 316 GLU A CA 2395 C C . GLU A 316 ? 0.1053 0.0777 0.1186 -0.0120 -0.0376 -0.0025 316 GLU A C 2396 O O . GLU A 316 ? 0.1419 0.1386 0.1167 -0.0517 -0.0375 -0.0100 316 GLU A O 2397 C CB . GLU A 316 ? 0.1233 0.1272 0.1189 -0.0102 -0.0209 0.0052 316 GLU A CB 2398 C CG . GLU A 316 ? 0.1489 0.1356 0.1232 0.0012 -0.0015 0.0063 316 GLU A CG 2399 C CD . GLU A 316 ? 0.1589 0.1126 0.1557 -0.0053 0.0332 -0.0236 316 GLU A CD 2400 O OE1 . GLU A 316 ? 0.1397 0.1742 0.1185 0.0068 0.0059 -0.0078 316 GLU A OE1 2401 O OE2 . GLU A 316 ? 0.2411 0.3772 0.2708 -0.1218 0.1266 -0.1895 316 GLU A OE2 2402 N N . LEU A 317 ? 0.1060 0.1043 0.1084 -0.0112 -0.0207 -0.0186 317 LEU A N 2403 C CA . LEU A 317 ? 0.1101 0.0826 0.1069 -0.0039 -0.0119 -0.0142 317 LEU A CA 2404 C C . LEU A 317 ? 0.1057 0.0922 0.1211 -0.0069 -0.0268 -0.0197 317 LEU A C 2405 O O . LEU A 317 ? 0.1417 0.0932 0.1538 0.0134 -0.0166 -0.0235 317 LEU A O 2406 C CB . LEU A 317 ? 0.1091 0.1187 0.1211 -0.0155 -0.0241 -0.0028 317 LEU A CB 2407 C CG . LEU A 317 ? 0.1233 0.1567 0.1295 0.0101 -0.0213 0.0046 317 LEU A CG 2408 C CD1 . LEU A 317 ? 0.0994 0.2832 0.1698 0.0137 -0.0132 -0.0007 317 LEU A CD1 2409 C CD2 . LEU A 317 ? 0.1718 0.1610 0.1229 0.0645 -0.0074 0.0110 317 LEU A CD2 2410 N N . SER A 318 ? 0.0975 0.1119 0.1191 0.0045 -0.0243 -0.0033 318 SER A N 2411 C CA . SER A 318 ? 0.1254 0.0945 0.1234 -0.0008 -0.0285 -0.0014 318 SER A CA 2412 C C . SER A 318 ? 0.1252 0.0887 0.1391 0.0117 -0.0179 0.0151 318 SER A C 2413 O O . SER A 318 ? 0.1431 0.1468 0.1560 -0.0021 -0.0385 0.0422 318 SER A O 2414 C CB . SER A 318 ? 0.1183 0.1027 0.1064 0.0000 -0.0228 -0.0054 318 SER A CB 2415 O OG . SER A 318 ? 0.1339 0.1203 0.1204 -0.0213 -0.0200 -0.0074 318 SER A OG 2416 N N . CYS A 319 ? 0.1327 0.0939 0.1184 -0.0010 -0.0258 0.0047 319 CYS A N 2417 C CA . CYS A 319 ? 0.1271 0.1063 0.1230 -0.0178 -0.0252 -0.0085 319 CYS A CA 2418 C C . CYS A 319 ? 0.1282 0.0934 0.1365 -0.0068 -0.0400 -0.0121 319 CYS A C 2419 O O . CYS A 319 ? 0.1501 0.1123 0.1892 -0.0010 -0.0744 -0.0097 319 CYS A O 2420 C CB . CYS A 319 ? 0.1387 0.1049 0.1389 -0.0200 -0.0162 -0.0155 319 CYS A CB 2421 S SG . CYS A 319 ? 0.1325 0.1156 0.1456 -0.0231 -0.0113 -0.0133 319 CYS A SG 2422 N N . PRO A 320 ? 0.1287 0.1066 0.1425 -0.0057 -0.0256 -0.0004 320 PRO A N 2423 C CA . PRO A 320 ? 0.1553 0.0797 0.1667 -0.0068 -0.0188 -0.0165 320 PRO A CA 2424 C C . PRO A 320 ? 0.1402 0.0818 0.1603 -0.0131 -0.0343 0.0096 320 PRO A C 2425 O O . PRO A 320 ? 0.1682 0.1688 0.2141 -0.0485 -0.0649 0.0047 320 PRO A O 2426 C CB . PRO A 320 ? 0.1611 0.1042 0.2639 0.0122 -0.0110 -0.0025 320 PRO A CB 2427 C CG . PRO A 320 ? 0.2360 0.0885 0.7735 -0.0024 -0.2088 0.0137 320 PRO A CG 2428 C CD . PRO A 320 ? 0.1947 0.1194 0.3212 -0.0117 -0.1150 0.0686 320 PRO A CD 2429 N N . SER A 321 ? 0.1881 0.1159 0.2002 -0.0344 0.0147 -0.0384 321 SER A N 2430 C CA . SER A 321 ? 0.2320 0.0912 0.2614 -0.0612 0.0700 -0.0052 321 SER A CA 2431 C C . SER A 321 ? 0.1959 0.1067 0.2228 -0.0635 0.0622 -0.0289 321 SER A C 2432 O O . SER A 321 ? 0.2401 0.1636 0.3343 -0.0816 0.1288 -0.0210 321 SER A O 2433 C CB . SER A 321 ? 0.2509 0.1500 0.2855 -0.0544 0.0701 0.0472 321 SER A CB 2434 O OG . SER A 321 ? 0.2428 0.2186 0.2603 -0.0311 0.0434 -0.0031 321 SER A OG 2435 N N . GLU A 322 ? 0.1537 0.1171 0.2423 -0.0463 0.0328 0.0045 322 GLU A N 2436 C CA . GLU A 322 ? 0.1685 0.1341 0.2438 -0.0321 0.0625 -0.0186 322 GLU A CA 2437 C C . GLU A 322 ? 0.1784 0.0832 0.2472 -0.0262 0.0473 -0.0186 322 GLU A C 2438 O O . GLU A 322 ? 0.1741 0.1211 0.2589 -0.0246 0.0511 0.0166 322 GLU A O 2439 C CB . GLU A 322 ? 0.1710 0.1355 0.2881 0.0024 -0.0247 -0.0209 322 GLU A CB 2440 C CG . GLU A 322 ? 0.1992 0.2122 0.2885 -0.0447 -0.0276 0.0019 322 GLU A CG 2441 C CD . GLU A 322 ? 0.3347 0.2266 0.3319 -0.0480 -0.1241 -0.0044 322 GLU A CD 2442 O OE1 . GLU A 322 ? 0.3561 0.2358 0.3901 0.0912 -0.1568 -0.0811 322 GLU A OE1 2443 O OE2 . GLU A 322 ? 0.8668 0.3285 0.5935 0.3722 -0.5083 -0.2454 322 GLU A OE2 2444 N N . ARG A 323 ? 0.1700 0.1014 0.2892 -0.0364 0.0469 -0.0166 323 ARG A N 2445 C CA . ARG A 323 ? 0.1760 0.1101 0.2940 -0.0278 0.0167 -0.0247 323 ARG A CA 2446 C C . ARG A 323 ? 0.1987 0.1182 0.1799 -0.0464 0.0216 -0.0460 323 ARG A C 2447 O O . ARG A 323 ? 0.2075 0.1233 0.2157 -0.0369 0.0574 -0.0399 323 ARG A O 2448 C CB . ARG A 323 ? 0.1788 0.1100 0.3966 -0.0396 0.0092 0.0112 323 ARG A CB 2449 C CG . ARG A 323 ? 0.2565 0.1593 0.4127 0.0089 -0.0754 -0.0114 323 ARG A CG 2450 C CD . ARG A 323 ? 0.2182 0.3415 0.5254 -0.0955 -0.0564 0.2042 323 ARG A CD 2451 N NE . ARG A 323 ? 0.2309 0.3675 0.3480 -0.1147 -0.0094 0.0767 323 ARG A NE 2452 C CZ . ARG A 323 ? 0.1583 0.2217 0.2150 -0.0287 -0.0502 0.0542 323 ARG A CZ 2453 N NH1 . ARG A 323 ? 0.3316 0.3569 0.1485 0.0028 -0.0639 -0.0308 323 ARG A NH1 2454 N NH2 . ARG A 323 ? 0.3429 0.2679 0.3444 -0.1332 -0.0492 -0.0758 323 ARG A NH2 2455 N N . PHE A 324 ? 0.2753 0.1299 0.1804 -0.0518 0.0486 -0.0599 324 PHE A N 2456 C CA . PHE A 324 ? 0.2077 0.1341 0.1430 -0.0435 0.0269 -0.0471 324 PHE A CA 2457 C C . PHE A 324 ? 0.2070 0.1575 0.1250 -0.0850 -0.0107 -0.0214 324 PHE A C 2458 O O . PHE A 324 ? 0.3024 0.2060 0.1220 -0.1393 -0.0543 -0.0072 324 PHE A O 2459 C CB . PHE A 324 ? 0.2872 0.1777 0.1467 -0.0343 0.0714 -0.0530 324 PHE A CB 2460 C CG . PHE A 324 ? 0.1865 0.1681 0.1144 -0.0132 0.0421 -0.0494 324 PHE A CG 2461 C CD1 . PHE A 324 ? 0.1838 0.2212 0.1121 -0.0386 0.0313 -0.0182 324 PHE A CD1 2462 C CD2 . PHE A 324 ? 0.1947 0.1883 0.1609 0.0330 0.0018 -0.0922 324 PHE A CD2 2463 C CE1 . PHE A 324 ? 0.2105 0.2162 0.1743 -0.0288 0.0733 0.0211 324 PHE A CE1 2464 C CE2 . PHE A 324 ? 0.1554 0.2179 0.2791 -0.0039 0.0297 -0.1232 324 PHE A CE2 2465 C CZ . PHE A 324 ? 0.2159 0.1765 0.2136 -0.0303 0.0987 -0.0733 324 PHE A CZ 2466 N N . PRO A 325 ? 0.1665 0.1429 0.1171 -0.0569 -0.0220 0.0046 325 PRO A N 2467 C CA . PRO A 325 ? 0.1733 0.2097 0.1126 -0.0476 -0.0344 0.0302 325 PRO A CA 2468 C C . PRO A 325 ? 0.1707 0.1348 0.1089 -0.0454 -0.0207 0.0089 325 PRO A C 2469 O O . PRO A 325 ? 0.1851 0.1754 0.1169 -0.0227 -0.0081 0.0276 325 PRO A O 2470 C CB . PRO A 325 ? 0.1665 0.2898 0.1234 0.0383 -0.0169 -0.0447 325 PRO A CB 2471 C CG . PRO A 325 ? 0.1712 0.1518 0.2466 -0.0047 -0.0163 -0.0609 325 PRO A CG 2472 C CD . PRO A 325 ? 0.1404 0.1442 0.1449 -0.0224 -0.0145 -0.0407 325 PRO A CD 2473 N N . THR A 326 ? 0.1763 0.2200 0.1208 -0.0886 -0.0477 0.0493 326 THR A N 2474 C CA . THR A 326 ? 0.1997 0.2375 0.1183 -0.0943 -0.0595 0.0534 326 THR A CA 2475 C C . THR A 326 ? 0.1683 0.2384 0.1005 -0.0374 -0.0243 0.0501 326 THR A C 2476 O O . THR A 326 ? 0.1779 0.2786 0.1756 -0.0350 0.0214 0.0608 326 THR A O 2477 C CB . THR A 326 ? 0.2472 0.4194 0.1515 -0.1777 -0.0973 0.1063 326 THR A CB 2478 O OG1 . THR A 326 ? 0.6635 0.4196 0.2476 -0.3669 -0.2150 0.0838 326 THR A OG1 2479 C CG2 . THR A 326 ? 0.3263 0.5960 0.1824 -0.2596 -0.1522 0.1598 326 THR A CG2 2480 N N . LEU A 327 ? 0.1574 0.1729 0.0984 -0.0282 -0.0257 0.0186 327 LEU A N 2481 C CA . LEU A 327 ? 0.1438 0.1718 0.0915 -0.0101 -0.0164 0.0084 327 LEU A CA 2482 C C . LEU A 327 ? 0.1205 0.1492 0.0978 0.0053 -0.0245 0.0007 327 LEU A C 2483 O O . LEU A 327 ? 0.2010 0.1368 0.0989 -0.0123 -0.0160 -0.0094 327 LEU A O 2484 C CB . LEU A 327 ? 0.1421 0.1612 0.0908 -0.0084 -0.0257 0.0003 327 LEU A CB 2485 C CG . LEU A 327 ? 0.1774 0.1327 0.1050 0.0058 -0.0345 0.0002 327 LEU A CG 2486 C CD1 . LEU A 327 ? 0.1760 0.1850 0.1225 0.0152 -0.0528 -0.0050 327 LEU A CD1 2487 C CD2 . LEU A 327 ? 0.1900 0.1655 0.0960 -0.0074 -0.0196 0.0113 327 LEU A CD2 2488 N N . THR A 328 ? 0.1172 0.1423 0.1074 -0.0031 -0.0305 0.0002 328 THR A N 2489 C CA . THR A 328 ? 0.1243 0.1428 0.0961 -0.0016 -0.0383 -0.0030 328 THR A CA 2490 C C . THR A 328 ? 0.1207 0.1371 0.0981 0.0143 -0.0295 0.0071 328 THR A C 2491 O O . THR A 328 ? 0.1025 0.1555 0.0919 0.0066 -0.0190 -0.0067 328 THR A O 2492 C CB . THR A 328 ? 0.0964 0.1433 0.1319 -0.0088 -0.0350 -0.0048 328 THR A CB 2493 O OG1 . THR A 328 ? 0.1182 0.1558 0.1792 -0.0026 -0.0426 -0.0272 328 THR A OG1 2494 C CG2 . THR A 328 ? 0.1066 0.1848 0.1623 -0.0212 -0.0161 -0.0221 328 THR A CG2 2495 N N . THR A 329 ? 0.1401 0.2230 0.1045 -0.0061 -0.0326 0.0185 329 THR A N 2496 C CA . THR A 329 ? 0.1431 0.2258 0.0986 0.0291 -0.0024 0.0398 329 THR A CA 2497 C C . THR A 329 ? 0.1287 0.2318 0.1090 0.0333 -0.0076 0.0445 329 THR A C 2498 O O . THR A 329 ? 0.1548 0.3028 0.1307 0.0409 -0.0302 0.0746 329 THR A O 2499 C CB . THR A 329 ? 0.1561 0.2393 0.1025 0.0391 -0.0353 0.0190 329 THR A CB 2500 O OG1 . THR A 329 ? 0.2330 0.2416 0.1318 0.0546 -0.0442 0.0139 329 THR A OG1 2501 C CG2 . THR A 329 ? 0.1701 0.3305 0.1508 0.0835 0.0390 0.0674 329 THR A CG2 2502 N N . GLN A 330 ? 0.1330 0.2149 0.1142 0.0436 -0.0049 0.0411 330 GLN A N 2503 C CA . GLN A 330 ? 0.1588 0.2199 0.1311 0.0514 0.0043 0.0503 330 GLN A CA 2504 C C . GLN A 330 ? 0.1622 0.1884 0.1354 0.0206 -0.0133 0.0461 330 GLN A C 2505 O O . GLN A 330 ? 0.1519 0.2490 0.1143 0.0259 -0.0111 0.0393 330 GLN A O 2506 C CB . GLN A 330 ? 0.2612 0.2227 0.1272 0.0083 -0.0195 0.0361 330 GLN A CB 2507 C CG . GLN A 330 ? 0.3915 0.2289 0.6017 -0.0161 -0.0550 0.2171 330 GLN A CG 2508 C CD . GLN A 330 ? 0.6661 0.2499 1.0277 -0.1029 0.1059 0.0639 330 GLN A CD 2509 O OE1 . GLN A 330 ? 0.7230 0.6803 0.2048 -0.3039 0.0549 -0.0949 330 GLN A OE1 2510 N NE2 . GLN A 330 ? 0.6730 0.7275 1.4299 -0.4472 0.2149 -0.7174 330 GLN A NE2 2511 N N . PRO A 331 ? 0.1304 0.2725 0.1535 0.0062 -0.0164 0.0869 331 PRO A N 2512 C CA . PRO A 331 ? 0.1478 0.3195 0.1567 -0.0069 -0.0235 0.1012 331 PRO A CA 2513 C C . PRO A 331 ? 0.1373 0.2808 0.1299 0.0067 -0.0204 0.0496 331 PRO A C 2514 O O . PRO A 331 ? 0.1714 0.2517 0.1425 0.0006 -0.0101 0.0519 331 PRO A O 2515 C CB . PRO A 331 ? 0.1418 0.5043 0.2227 0.0415 -0.0339 0.1729 331 PRO A CB 2516 C CG . PRO A 331 ? 0.3578 0.7093 0.2480 0.2988 -0.0054 0.1782 331 PRO A CG 2517 C CD . PRO A 331 ? 0.1659 0.3507 0.2257 0.0753 0.0204 0.1454 331 PRO A CD 2518 N N . GLY A 332 ? 0.1717 0.3044 0.1130 -0.0163 -0.0179 0.0626 332 GLY A N 2519 C CA . GLY A 332 ? 0.1810 0.4364 0.1988 0.0160 0.0314 0.1723 332 GLY A CA 2520 C C . GLY A 332 ? 0.1496 0.3846 0.1723 -0.1072 0.0054 -0.0071 332 GLY A C 2521 O O . GLY A 332 ? 0.2388 0.3155 0.2975 -0.0525 0.1038 -0.0234 332 GLY A O 2522 N N . ALA A 333 ? 0.1715 0.5882 0.1189 -0.0929 -0.0232 0.0025 333 ALA A N 2523 C CA . ALA A 333 ? 0.2388 0.7351 0.2498 -0.1736 0.0486 -0.2549 333 ALA A CA 2524 C C . ALA A 333 ? 0.1886 0.3967 0.3327 -0.1038 0.0896 -0.1751 333 ALA A C 2525 O O . ALA A 333 ? 0.2532 0.4525 1.1502 -0.0692 0.1319 -0.4236 333 ALA A O 2526 C CB . ALA A 333 ? 0.3490 1.4848 0.2055 -0.4052 0.0668 -0.3666 333 ALA A CB 2527 N N . SER A 334 ? 0.1757 0.2580 0.1117 -0.0512 -0.0240 0.0296 334 SER A N 2528 C CA . SER A 334 ? 0.1733 0.2574 0.1100 -0.0120 -0.0241 0.0130 334 SER A CA 2529 C C . SER A 334 ? 0.1430 0.1614 0.1160 0.0058 -0.0190 0.0144 334 SER A C 2530 O O . SER A 334 ? 0.1368 0.1879 0.1268 0.0102 -0.0250 0.0283 334 SER A O 2531 C CB A SER A 334 ? 0.1505 0.3223 0.1557 -0.0115 0.0355 -0.0100 334 SER A CB 2532 C CB B SER A 334 ? 0.2290 0.5068 0.1199 -0.1693 -0.0403 0.0598 334 SER A CB 2533 O OG A SER A 334 ? 0.1366 0.3057 0.1247 -0.0314 0.0050 0.0516 334 SER A OG 2534 O OG B SER A 334 ? 0.3374 0.7556 0.1320 -0.2931 0.0101 -0.0160 334 SER A OG 2535 N N . GLN A 335 ? 0.1390 0.1497 0.1195 0.0155 -0.0158 -0.0042 335 GLN A N 2536 C CA . GLN A 335 ? 0.1164 0.1347 0.1148 0.0025 -0.0129 0.0073 335 GLN A CA 2537 C C . GLN A 335 ? 0.1145 0.1371 0.1194 0.0064 -0.0119 0.0090 335 GLN A C 2538 O O . GLN A 335 ? 0.1340 0.1488 0.1309 0.0037 -0.0086 0.0227 335 GLN A O 2539 C CB . GLN A 335 ? 0.1332 0.1433 0.1083 0.0140 -0.0102 0.0150 335 GLN A CB 2540 C CG . GLN A 335 ? 0.1337 0.1994 0.0991 0.0374 -0.0043 0.0396 335 GLN A CG 2541 C CD . GLN A 335 ? 0.1290 0.1119 0.1046 0.0171 0.0003 0.0156 335 GLN A CD 2542 O OE1 . GLN A 335 ? 0.2052 0.1809 0.1704 0.0007 0.0247 -0.0535 335 GLN A OE1 2543 N NE2 . GLN A 335 ? 0.1206 0.1137 0.0735 -0.0048 -0.0314 0.0029 335 GLN A NE2 2544 N N . SER A 336 ? 0.1117 0.1430 0.1283 0.0183 -0.0132 0.0091 336 SER A N 2545 C CA . SER A 336 ? 0.1591 0.1399 0.1190 0.0005 -0.0233 -0.0082 336 SER A CA 2546 C C . SER A 336 ? 0.1483 0.1222 0.1164 0.0234 -0.0150 0.0097 336 SER A C 2547 O O . SER A 336 ? 0.1464 0.1552 0.1375 0.0200 -0.0227 0.0281 336 SER A O 2548 C CB . SER A 336 ? 0.1542 0.1498 0.1886 0.0386 -0.0144 -0.0117 336 SER A CB 2549 O OG . SER A 336 ? 0.1566 0.1949 0.2208 0.0334 -0.0262 0.0167 336 SER A OG 2550 N N . LEU A 337 ? 0.1435 0.1336 0.0744 0.0125 -0.0205 0.0020 337 LEU A N 2551 C CA . LEU A 337 ? 0.1496 0.1287 0.0849 0.0164 -0.0204 0.0061 337 LEU A CA 2552 C C . LEU A 337 ? 0.1536 0.1378 0.0815 0.0320 -0.0223 -0.0074 337 LEU A C 2553 O O . LEU A 337 ? 0.1808 0.2486 0.0933 0.0887 -0.0228 -0.0166 337 LEU A O 2554 C CB . LEU A 337 ? 0.1675 0.1133 0.1129 0.0209 -0.0146 0.0051 337 LEU A CB 2555 C CG . LEU A 337 ? 0.1872 0.1377 0.1036 0.0003 -0.0150 0.0147 337 LEU A CG 2556 C CD1 . LEU A 337 ? 0.2679 0.1513 0.1392 -0.0032 0.0010 0.0347 337 LEU A CD1 2557 C CD2 . LEU A 337 ? 0.2199 0.1748 0.1297 0.0332 0.0328 0.0108 337 LEU A CD2 2558 N N . ILE A 338 ? 0.1307 0.1149 0.0808 0.0194 -0.0094 -0.0041 338 ILE A N 2559 C CA . ILE A 338 ? 0.1262 0.1207 0.0761 0.0042 -0.0144 -0.0007 338 ILE A CA 2560 C C . ILE A 338 ? 0.1379 0.1247 0.0560 0.0009 -0.0077 0.0030 338 ILE A C 2561 O O . ILE A 338 ? 0.1354 0.1097 0.0777 0.0011 -0.0029 0.0076 338 ILE A O 2562 C CB . ILE A 338 ? 0.1214 0.1105 0.0807 -0.0054 -0.0069 0.0031 338 ILE A CB 2563 C CG1 . ILE A 338 ? 0.1275 0.1223 0.0742 -0.0119 -0.0038 0.0069 338 ILE A CG1 2564 C CG2 . ILE A 338 ? 0.1213 0.1159 0.0835 -0.0002 -0.0012 0.0068 338 ILE A CG2 2565 C CD1 . ILE A 338 ? 0.1430 0.1191 0.0989 0.0018 -0.0137 -0.0014 338 ILE A CD1 2566 N N . ALA A 339 ? 0.1354 0.1153 0.0857 0.0008 -0.0045 -0.0031 339 ALA A N 2567 C CA . ALA A 339 ? 0.1441 0.1250 0.1014 -0.0058 -0.0113 -0.0133 339 ALA A CA 2568 C C . ALA A 339 ? 0.1609 0.0968 0.0882 -0.0003 -0.0075 -0.0058 339 ALA A C 2569 O O . ALA A 339 ? 0.1500 0.1159 0.0920 -0.0056 0.0080 0.0014 339 ALA A O 2570 C CB . ALA A 339 ? 0.1754 0.1301 0.1903 0.0288 -0.0280 -0.0268 339 ALA A CB 2571 N N . HIS A 340 ? 0.1459 0.1038 0.0768 0.0032 -0.0192 0.0102 340 HIS A N 2572 C CA . HIS A 340 ? 0.1506 0.0864 0.0835 0.0006 -0.0113 0.0065 340 HIS A CA 2573 C C . HIS A 340 ? 0.1460 0.1003 0.0796 -0.0023 0.0010 0.0098 340 HIS A C 2574 O O . HIS A 340 ? 0.1680 0.0918 0.0823 -0.0005 -0.0185 0.0060 340 HIS A O 2575 C CB . HIS A 340 ? 0.1475 0.1249 0.0695 -0.0019 -0.0008 0.0000 340 HIS A CB 2576 C CG . HIS A 340 ? 0.1551 0.1001 0.0855 -0.0053 -0.0064 0.0177 340 HIS A CG 2577 N ND1 . HIS A 340 ? 0.1464 0.0987 0.1029 0.0019 -0.0097 0.0063 340 HIS A ND1 2578 C CD2 . HIS A 340 ? 0.1773 0.0948 0.1241 -0.0001 -0.0279 0.0039 340 HIS A CD2 2579 C CE1 . HIS A 340 ? 0.1515 0.1062 0.1216 -0.0081 -0.0228 0.0096 340 HIS A CE1 2580 N NE2 . HIS A 340 ? 0.1679 0.1102 0.1397 -0.0110 -0.0204 0.0151 340 HIS A NE2 2581 N N . CYS A 341 ? 0.1504 0.1201 0.1005 0.0188 -0.0104 -0.0016 341 CYS A N 2582 C CA . CYS A 341 ? 0.1662 0.1503 0.0916 0.0361 -0.0055 -0.0037 341 CYS A CA 2583 C C . CYS A 341 ? 0.1738 0.1441 0.1340 0.0383 0.0174 -0.0012 341 CYS A C 2584 O O . CYS A 341 ? 0.1573 0.1860 0.1540 0.0431 -0.0034 0.0001 341 CYS A O 2585 C CB . CYS A 341 ? 0.1763 0.1381 0.1326 0.0358 0.0044 -0.0064 341 CYS A CB 2586 S SG . CYS A 341 ? 0.2016 0.1512 0.1274 0.0190 0.0017 -0.0018 341 CYS A SG 2587 N N . PRO A 342 ? 0.2155 0.1236 0.1356 0.0269 0.0417 0.0023 342 PRO A N 2588 C CA . PRO A 342 ? 0.2217 0.1136 0.1878 0.0337 0.0665 0.0338 342 PRO A CA 2589 C C . PRO A 342 ? 0.1986 0.1622 0.2261 0.0292 0.0649 0.0523 342 PRO A C 2590 O O . PRO A 342 ? 0.2002 0.2402 0.3545 0.0086 0.0427 0.0828 342 PRO A O 2591 C CB . PRO A 342 ? 0.3195 0.1320 0.1796 0.0793 0.0975 0.0290 342 PRO A CB 2592 C CG . PRO A 342 ? 0.3379 0.1728 0.1372 0.0454 0.0593 0.0136 342 PRO A CG 2593 C CD . PRO A 342 ? 0.2756 0.1456 0.1328 0.0321 0.0187 0.0005 342 PRO A CD 2594 N N . ASP A 343 ? 0.1767 0.1770 0.2083 0.0579 0.0433 0.0559 343 ASP A N 2595 C CA . ASP A 343 ? 0.2013 0.1987 0.2493 0.0467 0.0030 0.0651 343 ASP A CA 2596 C C . ASP A 343 ? 0.1685 0.2927 0.2482 0.0684 0.0157 0.0962 343 ASP A C 2597 O O . ASP A 343 ? 0.1506 0.4211 0.2819 0.0809 -0.0136 0.1284 343 ASP A O 2598 C CB . ASP A 343 ? 0.2102 0.1888 0.3430 0.0524 0.0127 0.0849 343 ASP A CB 2599 C CG . ASP A 343 ? 0.2305 0.2292 0.4083 0.0086 0.0292 -0.0263 343 ASP A CG 2600 O OD1 . ASP A 343 ? 0.4441 0.2173 0.2542 -0.0377 0.0093 -0.0028 343 ASP A OD1 2601 O OD2 . ASP A 343 ? 0.2372 0.2797 0.4880 0.0663 0.0902 0.1789 343 ASP A OD2 2602 N N . GLY A 344 ? 0.1623 0.4012 0.2541 0.1064 0.0506 0.1153 344 GLY A N 2603 C CA . GLY A 344 ? 0.1412 0.4373 0.2472 0.0522 0.0173 0.0651 344 GLY A CA 2604 C C . GLY A 344 ? 0.1992 0.4760 0.2581 0.0308 0.0899 0.0698 344 GLY A C 2605 O O . GLY A 344 ? 0.4474 0.4541 0.2511 0.1396 0.1048 0.1189 344 GLY A O 2606 N N . SER A 345 ? 0.2508 0.3168 0.2640 0.1069 0.0170 0.1600 345 SER A N 2607 C CA . SER A 345 ? 0.2809 0.3109 0.2357 0.1353 0.0607 0.1526 345 SER A CA 2608 C C . SER A 345 ? 0.2392 0.2770 0.1996 0.0684 -0.0268 0.1044 345 SER A C 2609 O O . SER A 345 ? 0.1838 0.2773 0.2278 0.0551 -0.0302 0.0782 345 SER A O 2610 C CB . SER A 345 ? 0.4409 0.2666 0.3840 0.2075 0.0284 0.1414 345 SER A CB 2611 O OG . SER A 345 ? 0.4077 0.2696 0.2842 0.1453 0.0934 0.0870 345 SER A OG 2612 N N . MET A 346 ? 0.2852 0.3109 0.1660 0.0502 0.0036 0.0872 346 MET A N 2613 C CA . MET A 346 ? 0.2972 0.2393 0.1512 0.0503 0.0207 0.0367 346 MET A CA 2614 C C . MET A 346 ? 0.2810 0.2038 0.1850 0.0873 -0.0063 0.0353 346 MET A C 2615 O O . MET A 346 ? 0.2757 0.1650 0.3575 0.0324 0.0305 0.0305 346 MET A O 2616 C CB . MET A 346 ? 0.2572 0.4984 0.2557 -0.1354 -0.1038 0.1904 346 MET A CB 2617 N N . SER A 347 ? 0.3495 0.1840 0.1651 0.0510 -0.0122 0.0405 347 SER A N 2618 C CA . SER A 347 ? 0.5508 0.1643 0.2211 -0.0228 -0.1051 0.0458 347 SER A CA 2619 C C . SER A 347 ? 0.4977 0.1364 0.2016 0.0684 -0.1130 0.0213 347 SER A C 2620 O O . SER A 347 ? 0.6988 0.2372 0.2558 0.2648 -0.0878 0.0209 347 SER A O 2621 C CB . SER A 347 ? 0.5398 0.1613 0.3553 -0.0005 -0.1459 0.0876 347 SER A CB 2622 O OG . SER A 347 ? 0.8017 0.1935 0.2495 -0.0875 -0.1464 0.0034 347 SER A OG 2623 N N . CYS A 348 ? 0.4310 0.1102 0.2050 0.0304 -0.0958 0.0267 348 CYS A N 2624 C CA . CYS A 348 ? 0.4500 0.1366 0.1810 0.0419 -0.1151 -0.0060 348 CYS A CA 2625 C C . CYS A 348 ? 0.3396 0.1279 0.1613 0.0380 -0.0516 -0.0449 348 CYS A C 2626 O O . CYS A 348 ? 0.2758 0.1477 0.1326 0.0497 -0.0277 -0.0242 348 CYS A O 2627 C CB . CYS A 348 ? 0.2644 0.2033 0.1624 0.1166 -0.0420 -0.0456 348 CYS A CB 2628 S SG . CYS A 348 ? 0.2207 0.1356 0.1503 0.0327 -0.0329 -0.0029 348 CYS A SG 2629 N N . PRO A 349 ? 0.4584 0.1500 0.2139 -0.0242 -0.0942 -0.0223 349 PRO A N 2630 C CA . PRO A 349 ? 0.3880 0.1769 0.1730 -0.0754 -0.0459 -0.0168 349 PRO A CA 2631 C C . PRO A 349 ? 0.3557 0.1822 0.1659 0.0230 -0.0306 -0.0869 349 PRO A C 2632 O O . PRO A 349 ? 0.5172 0.4316 0.2446 0.2276 -0.1056 -0.1925 349 PRO A O 2633 C CB . PRO A 349 ? 0.5395 0.1637 0.3143 -0.1280 -0.1075 0.0280 349 PRO A CB 2634 C CG . PRO A 349 ? 0.6951 0.1904 0.4993 -0.1111 -0.3673 0.0524 349 PRO A CG 2635 C CD . PRO A 349 ? 0.8337 0.1578 0.6554 -0.1665 -0.4823 0.0818 349 PRO A CD 2636 N N . GLY A 350 ? 0.2141 0.2275 0.1282 -0.0252 0.0027 -0.0470 350 GLY A N 2637 C CA . GLY A 350 ? 0.1951 0.3289 0.1264 -0.1091 0.0016 -0.0670 350 GLY A CA 2638 C C . GLY A 350 ? 0.1482 0.2367 0.1170 -0.0646 0.0182 -0.0372 350 GLY A C 2639 O O . GLY A 350 ? 0.1681 0.3159 0.1407 -0.0992 0.0397 -0.0884 350 GLY A O 2640 N N . VAL A 351 ? 0.1037 0.1266 0.1043 -0.0155 -0.0112 0.0079 351 VAL A N 2641 C CA . VAL A 351 ? 0.1041 0.0872 0.0970 -0.0124 -0.0131 0.0211 351 VAL A CA 2642 C C . VAL A 351 ? 0.1148 0.0775 0.0836 -0.0101 -0.0040 0.0012 351 VAL A C 2643 O O . VAL A 351 ? 0.1171 0.0786 0.1112 -0.0163 -0.0119 0.0143 351 VAL A O 2644 C CB . VAL A 351 ? 0.1227 0.0666 0.1211 -0.0045 -0.0059 0.0123 351 VAL A CB 2645 C CG1 . VAL A 351 ? 0.1331 0.0952 0.1273 -0.0071 0.0044 -0.0116 351 VAL A CG1 2646 C CG2 . VAL A 351 ? 0.1380 0.1086 0.1240 0.0170 0.0152 0.0400 351 VAL A CG2 2647 N N . GLN A 352 ? 0.1076 0.0668 0.1002 -0.0077 -0.0095 0.0135 352 GLN A N 2648 C CA . GLN A 352 ? 0.1171 0.0789 0.0931 -0.0014 -0.0067 0.0078 352 GLN A CA 2649 C C . GLN A 352 ? 0.0942 0.0754 0.1136 -0.0007 -0.0088 0.0198 352 GLN A C 2650 O O . GLN A 352 ? 0.1348 0.0932 0.1137 -0.0243 -0.0048 0.0087 352 GLN A O 2651 C CB . GLN A 352 ? 0.1093 0.0932 0.1028 0.0018 0.0070 0.0199 352 GLN A CB 2652 C CG . GLN A 352 ? 0.1104 0.1043 0.1435 0.0100 0.0049 0.0206 352 GLN A CG 2653 C CD . GLN A 352 ? 0.1242 0.0934 0.1399 0.0020 -0.0110 0.0187 352 GLN A CD 2654 O OE1 . GLN A 352 ? 0.1423 0.1280 0.1326 0.0234 -0.0078 0.0104 352 GLN A OE1 2655 N NE2 . GLN A 352 ? 0.1478 0.0723 0.0927 0.0147 -0.0160 0.0205 352 GLN A NE2 2656 N N . PHE A 353 ? 0.1216 0.0724 0.1073 -0.0001 -0.0218 0.0139 353 PHE A N 2657 C CA . PHE A 353 ? 0.1146 0.0781 0.1123 -0.0055 -0.0163 0.0129 353 PHE A CA 2658 C C . PHE A 353 ? 0.1208 0.0965 0.1175 -0.0020 -0.0174 0.0142 353 PHE A C 2659 O O . PHE A 353 ? 0.1213 0.0963 0.1545 0.0040 -0.0097 -0.0022 353 PHE A O 2660 C CB . PHE A 353 ? 0.1180 0.0697 0.1115 0.0043 -0.0273 0.0087 353 PHE A CB 2661 C CG . PHE A 353 ? 0.1203 0.0906 0.1021 0.0044 -0.0302 -0.0031 353 PHE A CG 2662 C CD1 . PHE A 353 ? 0.1331 0.0813 0.2572 0.0063 -0.0186 -0.0024 353 PHE A CD1 2663 C CD2 . PHE A 353 ? 0.1263 0.0888 0.2312 0.0041 -0.0047 -0.0053 353 PHE A CD2 2664 C CE1 . PHE A 353 ? 0.1372 0.0830 0.2444 -0.0001 0.0114 0.0052 353 PHE A CE1 2665 C CE2 . PHE A 353 ? 0.1131 0.0920 0.2771 -0.0066 -0.0271 -0.0263 353 PHE A CE2 2666 C CZ . PHE A 353 ? 0.1272 0.0935 0.1600 0.0076 -0.0152 0.0109 353 PHE A CZ 2667 N N . ASN A 354 ? 0.1201 0.0911 0.1421 -0.0070 -0.0109 0.0297 354 ASN A N 2668 C CA . ASN A 354 ? 0.1246 0.1156 0.1290 -0.0081 -0.0228 0.0291 354 ASN A CA 2669 C C . ASN A 354 ? 0.1054 0.0892 0.1334 -0.0082 -0.0134 0.0235 354 ASN A C 2670 O O . ASN A 354 ? 0.1198 0.1157 0.1433 0.0071 -0.0072 0.0204 354 ASN A O 2671 C CB . ASN A 354 ? 0.1130 0.2190 0.2263 -0.0245 -0.0124 0.1203 354 ASN A CB 2672 C CG . ASN A 354 ? 0.2218 0.4487 0.2732 0.0153 0.0578 0.2362 354 ASN A CG 2673 O OD1 . ASN A 354 ? 0.6010 0.4978 0.4596 -0.0295 0.1295 0.3337 354 ASN A OD1 2674 N ND2 . ASN A 354 ? 0.4302 0.7059 0.1778 -0.2440 -0.0290 0.1619 354 ASN A ND2 2675 N N . GLY A 355 ? 0.1074 0.0980 0.1433 -0.0014 -0.0150 0.0238 355 GLY A N 2676 C CA . GLY A 355 ? 0.1006 0.1313 0.1531 -0.0073 -0.0261 0.0396 355 GLY A CA 2677 C C . GLY A 355 ? 0.1107 0.0959 0.1497 -0.0128 -0.0285 0.0328 355 GLY A C 2678 O O . GLY A 355 ? 0.1186 0.1393 0.1787 0.0025 -0.0099 0.0577 355 GLY A O 2679 N N . PRO A 356 ? 0.1232 0.1073 0.1582 -0.0069 -0.0360 0.0290 356 PRO A N 2680 C CA . PRO A 356 ? 0.1175 0.1052 0.1805 -0.0181 -0.0492 0.0455 356 PRO A CA 2681 C C . PRO A 356 ? 0.1059 0.1203 0.2061 0.0053 -0.0476 0.0294 356 PRO A C 2682 O O . PRO A 356 ? 0.1093 0.1320 0.2424 0.0028 -0.0411 0.0388 356 PRO A O 2683 C CB . PRO A 356 ? 0.1394 0.1201 0.1845 -0.0356 -0.0559 0.0464 356 PRO A CB 2684 C CG . PRO A 356 ? 0.1489 0.1087 0.1655 -0.0191 -0.0483 0.0374 356 PRO A CG 2685 C CD . PRO A 356 ? 0.1616 0.1148 0.1468 0.0016 -0.0256 0.0360 356 PRO A CD 2686 N N . ALA A 357 ? 0.1178 0.1108 0.1609 -0.0073 -0.0362 0.0227 357 ALA A N 2687 C CA . ALA A 357 ? 0.1250 0.1215 0.1580 -0.0045 -0.0365 0.0198 357 ALA A CA 2688 C C . ALA A 357 ? 0.1398 0.1962 0.1767 0.0012 -0.0265 -0.0039 357 ALA A C 2689 O O . ALA A 357 ? 0.1757 0.2398 0.2145 0.0610 -0.0082 -0.0028 357 ALA A O 2690 C CB . ALA A 357 ? 0.1266 0.1096 0.1660 -0.0022 -0.0473 0.0172 357 ALA A CB 2691 O OXT . ALA A 357 ? 0.1545 0.2334 0.1566 0.0316 0.0091 0.0129 357 ALA A OXT 2692 C C1 . NAG B . ? 0.1622 0.1306 0.1205 -0.0494 -0.0341 -0.0063 361 NAG A C1 2693 C C2 . NAG B . ? 0.1712 0.1378 0.1175 -0.0411 -0.0359 -0.0061 361 NAG A C2 2694 C C3 . NAG B . ? 0.1975 0.1376 0.1345 -0.0572 -0.0200 -0.0119 361 NAG A C3 2695 C C4 . NAG B . ? 0.2010 0.1369 0.1217 -0.0723 -0.0195 -0.0237 361 NAG A C4 2696 C C5 . NAG B . ? 0.2102 0.1400 0.1179 -0.0643 0.0018 -0.0251 361 NAG A C5 2697 C C6 . NAG B . ? 0.2244 0.1458 0.2431 -0.0669 0.0469 -0.0016 361 NAG A C6 2698 C C7 . NAG B . ? 0.1698 0.1271 0.1279 -0.0194 -0.0322 0.0092 361 NAG A C7 2699 C C8 . NAG B . ? 0.1693 0.1457 0.1521 -0.0227 -0.0212 0.0024 361 NAG A C8 2700 N N2 . NAG B . ? 0.1716 0.1392 0.1199 -0.0427 -0.0336 -0.0010 361 NAG A N2 2701 O O3 . NAG B . ? 0.2388 0.1341 0.1618 -0.0209 -0.0353 -0.0017 361 NAG A O3 2702 O O4 . NAG B . ? 0.2117 0.1590 0.1385 -0.0734 -0.0139 -0.0048 361 NAG A O4 2703 O O5 . NAG B . ? 0.1650 0.1404 0.1330 -0.0489 -0.0192 -0.0099 361 NAG A O5 2704 O O6 . NAG B . ? 0.1743 0.1866 0.3065 -0.0422 0.0097 -0.0126 361 NAG A O6 2705 O O7 . NAG B . ? 0.1809 0.1816 0.1190 -0.0169 -0.0278 0.0063 361 NAG A O7 2706 C C1 . NAG C . ? 0.2167 0.1634 0.2045 -0.0950 -0.0399 0.0201 362 NAG A C1 2707 C C2 . NAG C . ? 0.2217 0.2024 0.1897 -0.0834 -0.0486 0.0481 362 NAG A C2 2708 C C3 . NAG C . ? 0.2531 0.1813 0.2983 -0.0956 -0.0190 0.0702 362 NAG A C3 2709 C C4 . NAG C . ? 0.2528 0.2154 0.2624 -0.0977 -0.0408 0.0079 362 NAG A C4 2710 C C5 . NAG C . ? 0.2995 0.1944 0.2020 -0.0973 -0.0234 -0.0359 362 NAG A C5 2711 C C6 . NAG C . ? 0.3301 0.1488 0.2219 -0.1007 0.0145 -0.0446 362 NAG A C6 2712 C C7 . NAG C . ? 0.1678 0.2071 0.2226 -0.0921 -0.0511 0.0282 362 NAG A C7 2713 C C8 . NAG C . ? 0.1758 0.2506 0.2324 -0.0674 -0.0468 0.0570 362 NAG A C8 2714 N N2 . NAG C . ? 0.2361 0.2063 0.2012 -0.0775 -0.0298 0.0570 362 NAG A N2 2715 O O3 . NAG C . ? 0.3984 0.2049 0.3050 -0.1285 0.0773 0.0059 362 NAG A O3 2716 O O4 . NAG C . ? 0.3099 0.1713 0.3651 -0.0719 -0.1311 0.0407 362 NAG A O4 2717 O O5 . NAG C . ? 0.2570 0.1646 0.1935 -0.0686 -0.0411 -0.0238 362 NAG A O5 2718 O O6 . NAG C . ? 0.3324 0.2090 0.2253 -0.1185 0.0187 -0.0464 362 NAG A O6 2719 O O7 . NAG C . ? 0.1661 0.1527 0.2276 -0.0520 -0.0404 -0.0046 362 NAG A O7 2720 C C1 . MAN D . ? 0.1508 0.2205 0.2393 0.0307 -0.0227 0.0465 364 MAN A C1 2721 C C2 . MAN D . ? 0.1620 0.3201 0.2950 0.0259 -0.0518 0.0644 364 MAN A C2 2722 C C3 . MAN D . ? 0.2123 0.2893 0.3073 -0.0443 -0.0967 0.0815 364 MAN A C3 2723 C C4 . MAN D . ? 0.2393 0.2394 0.2622 -0.0197 -0.1009 0.0257 364 MAN A C4 2724 C C5 . MAN D . ? 0.2266 0.2070 0.1572 -0.0159 -0.0778 0.0401 364 MAN A C5 2725 C C6 . MAN D . ? 0.2167 0.3118 0.2036 0.0569 -0.0217 0.0867 364 MAN A C6 2726 O O2 . MAN D . ? 0.1791 0.3549 0.2831 0.0670 -0.0374 0.0687 364 MAN A O2 2727 O O3 . MAN D . ? 0.2144 0.3016 0.4730 -0.0410 -0.1501 0.1165 364 MAN A O3 2728 O O4 . MAN D . ? 0.3198 0.2556 0.3200 -0.0433 -0.1520 -0.0180 364 MAN A O4 2729 O O5 . MAN D . ? 0.1787 0.2135 0.2069 0.0035 -0.0489 0.0229 364 MAN A O5 2730 O O6 . MAN D . ? 0.2565 0.4700 0.4897 -0.0794 -0.1009 0.3055 364 MAN A O6 2731 CA CA . CA E . ? 0.0854 0.0703 0.0697 0.0032 -0.0099 0.0006 371 CA A CA 2732 CA CA . CA F . ? 0.0715 0.0720 0.0708 -0.0036 -0.0130 0.0038 372 CA A CA 2733 C C1 . GOL G . ? 0.2581 0.3316 0.4740 0.0861 -0.2251 -0.1770 391 GOL A C1 2734 O O1 . GOL G . ? 0.2437 0.2202 0.2705 0.0368 -0.0289 -0.0033 391 GOL A O1 2735 C C2 . GOL G . ? 0.2567 0.1631 0.2630 0.0451 -0.1661 -0.0535 391 GOL A C2 2736 O O2 . GOL G . ? 0.2421 0.2426 0.2250 -0.0427 -0.0916 -0.0339 391 GOL A O2 2737 C C3 . GOL G . ? 0.2304 0.1508 0.1980 -0.0044 -0.0235 -0.0265 391 GOL A C3 2738 O O3 . GOL G . ? 0.1866 0.1693 0.1527 -0.0434 -0.0366 0.0319 391 GOL A O3 2739 C C1 . GOL H . ? 0.4441 0.2625 0.2960 -0.0527 0.0895 0.0111 392 GOL A C1 2740 O O1 . GOL H . ? 0.1545 0.1923 0.3807 -0.0459 -0.0447 0.0518 392 GOL A O1 2741 C C2 . GOL H . ? 0.2067 0.3131 0.3838 -0.0561 -0.0285 0.1455 392 GOL A C2 2742 O O2 . GOL H . ? 0.1992 0.3032 0.2947 -0.0224 -0.0495 0.0427 392 GOL A O2 2743 C C3 . GOL H . ? 0.2351 0.2026 0.4710 -0.0627 0.0176 -0.0201 392 GOL A C3 2744 O O3 . GOL H . ? 0.1289 0.4171 0.3372 -0.0349 0.0272 -0.1512 392 GOL A O3 2745 C CHA . HEM I . ? 0.1199 0.0721 0.0749 0.0027 -0.0042 -0.0019 396 HEM A CHA 2746 C CHB . HEM I . ? 0.1027 0.0950 0.0856 0.0075 -0.0045 0.0055 396 HEM A CHB 2747 C CHC . HEM I . ? 0.1037 0.0988 0.1039 0.0015 0.0006 0.0128 396 HEM A CHC 2748 C CHD . HEM I . ? 0.0951 0.1026 0.1040 0.0091 0.0125 0.0064 396 HEM A CHD 2749 C C1A . HEM I . ? 0.1050 0.0817 0.0902 -0.0001 0.0002 0.0027 396 HEM A C1A 2750 C C2A . HEM I . ? 0.1021 0.1019 0.0718 0.0010 -0.0051 -0.0027 396 HEM A C2A 2751 C C3A . HEM I . ? 0.0973 0.1080 0.0685 -0.0022 0.0045 -0.0042 396 HEM A C3A 2752 C C4A . HEM I . ? 0.1044 0.0963 0.0618 0.0099 -0.0086 -0.0036 396 HEM A C4A 2753 C CMA . HEM I . ? 0.1068 0.1060 0.1003 0.0091 -0.0007 0.0022 396 HEM A CMA 2754 C CAA . HEM I . ? 0.1019 0.0988 0.0950 -0.0116 0.0040 -0.0081 396 HEM A CAA 2755 C CBA . HEM I . ? 0.1130 0.1359 0.0854 -0.0223 -0.0095 0.0012 396 HEM A CBA 2756 C CGA . HEM I . ? 0.1183 0.1268 0.1073 -0.0290 -0.0087 0.0054 396 HEM A CGA 2757 O O1A . HEM I . ? 0.1165 0.1530 0.1076 -0.0159 0.0015 0.0182 396 HEM A O1A 2758 O O2A . HEM I . ? 0.1405 0.1340 0.1084 -0.0263 -0.0173 0.0118 396 HEM A O2A 2759 C C1B . HEM I . ? 0.0848 0.0973 0.0820 0.0072 -0.0137 0.0014 396 HEM A C1B 2760 C C2B . HEM I . ? 0.0914 0.0965 0.0837 0.0037 -0.0181 0.0034 396 HEM A C2B 2761 C C3B . HEM I . ? 0.0975 0.1167 0.0903 0.0115 -0.0123 0.0161 396 HEM A C3B 2762 C C4B . HEM I . ? 0.0884 0.1201 0.0892 0.0084 -0.0084 0.0177 396 HEM A C4B 2763 C CMB . HEM I . ? 0.0978 0.1008 0.0992 0.0107 -0.0145 -0.0013 396 HEM A CMB 2764 C CAB . HEM I . ? 0.1073 0.1429 0.1087 0.0085 -0.0023 0.0354 396 HEM A CAB 2765 C CBB . HEM I . ? 0.2099 0.1428 0.1529 -0.0085 -0.0127 0.0192 396 HEM A CBB 2766 C C1C . HEM I . ? 0.1122 0.1017 0.1020 0.0024 0.0061 0.0113 396 HEM A C1C 2767 C C2C . HEM I . ? 0.1084 0.1107 0.1023 -0.0029 0.0059 0.0176 396 HEM A C2C 2768 C C3C . HEM I . ? 0.1081 0.1047 0.0913 -0.0007 -0.0020 0.0022 396 HEM A C3C 2769 C C4C . HEM I . ? 0.1059 0.0937 0.0985 -0.0035 -0.0033 0.0025 396 HEM A C4C 2770 C CMC . HEM I . ? 0.1054 0.1268 0.1165 -0.0133 0.0000 0.0304 396 HEM A CMC 2771 C CAC . HEM I . ? 0.1020 0.1696 0.0947 0.0138 -0.0075 0.0040 396 HEM A CAC 2772 C CBC . HEM I . ? 0.1242 0.1737 0.1216 -0.0042 0.0084 0.0234 396 HEM A CBC 2773 C C1D . HEM I . ? 0.1002 0.1002 0.0894 0.0080 -0.0020 0.0028 396 HEM A C1D 2774 C C2D . HEM I . ? 0.1011 0.0836 0.0819 0.0007 -0.0167 -0.0144 396 HEM A C2D 2775 C C3D . HEM I . ? 0.1034 0.0881 0.0945 0.0059 -0.0092 0.0017 396 HEM A C3D 2776 C C4D . HEM I . ? 0.1099 0.0811 0.0807 0.0079 -0.0054 -0.0010 396 HEM A C4D 2777 C CMD . HEM I . ? 0.0955 0.0936 0.1035 0.0023 -0.0104 -0.0077 396 HEM A CMD 2778 C CAD . HEM I . ? 0.0987 0.0855 0.0874 0.0122 -0.0119 -0.0093 396 HEM A CAD 2779 C CBD . HEM I . ? 0.1259 0.1021 0.1183 -0.0074 -0.0204 0.0063 396 HEM A CBD 2780 C CGD . HEM I . ? 0.1565 0.0994 0.1536 -0.0100 -0.0362 0.0168 396 HEM A CGD 2781 O O1D . HEM I . ? 0.2627 0.1404 0.2959 -0.0928 -0.0966 0.0441 396 HEM A O1D 2782 O O2D . HEM I . ? 0.1603 0.1061 0.0868 0.0157 0.0072 -0.0026 396 HEM A O2D 2783 N NA . HEM I . ? 0.0985 0.0741 0.1036 0.0050 0.0009 0.0014 396 HEM A NA 2784 N NB . HEM I . ? 0.1021 0.1008 0.0812 0.0062 0.0007 0.0046 396 HEM A NB 2785 N NC . HEM I . ? 0.1214 0.0992 0.0795 0.0142 -0.0021 0.0080 396 HEM A NC 2786 N ND . HEM I . ? 0.0985 0.0969 0.0893 0.0150 0.0008 0.0104 396 HEM A ND 2787 FE FE . HEM I . ? 0.0841 0.0765 0.0745 0.0017 -0.0056 0.0015 396 HEM A FE 2788 O O . HOH J . ? 0.0938 0.1301 0.0969 0.0125 0.0025 0.0131 1001 HOH A O 2789 O O . HOH J . ? 0.1280 0.1391 0.1300 -0.0001 -0.0014 -0.0048 1002 HOH A O 2790 O O . HOH J . ? 0.0932 0.0782 0.0876 -0.0052 -0.0057 -0.0079 1003 HOH A O 2791 O O . HOH J . ? 0.0841 0.1223 0.0919 0.0096 -0.0081 -0.0116 1004 HOH A O 2792 O O . HOH J . ? 0.1064 0.1111 0.0977 -0.0018 -0.0184 0.0009 1005 HOH A O 2793 O O . HOH J . ? 0.1393 0.1095 0.1124 0.0176 -0.0371 -0.0108 1006 HOH A O 2794 O O . HOH J . ? 0.1491 0.0876 0.1104 0.0074 -0.0140 -0.0028 1007 HOH A O 2795 O O . HOH J . ? 0.1369 0.1138 0.0829 -0.0215 -0.0024 0.0051 1008 HOH A O 2796 O O . HOH J . ? 0.1708 0.1836 0.1811 0.0171 0.0313 0.0264 1009 HOH A O 2797 O O . HOH J . ? 0.0891 0.1343 0.1027 -0.0032 -0.0069 -0.0030 1010 HOH A O 2798 O O . HOH J . ? 0.1114 0.0839 0.1180 0.0125 -0.0204 -0.0249 1011 HOH A O 2799 O O . HOH J . ? 0.0994 0.0919 0.0958 0.0024 -0.0158 -0.0090 1012 HOH A O 2800 O O . HOH J . ? 0.1444 0.2087 0.1330 0.0255 -0.0255 -0.0584 1013 HOH A O 2801 O O . HOH J . ? 0.1180 0.1213 0.0926 -0.0153 -0.0035 -0.0056 1014 HOH A O 2802 O O . HOH J . ? 0.0961 0.1529 0.1417 -0.0074 -0.0190 -0.0161 1015 HOH A O 2803 O O . HOH J . ? 0.1128 0.0826 0.0852 -0.0024 -0.0145 0.0037 1016 HOH A O 2804 O O . HOH J . ? 0.1355 0.1036 0.0815 -0.0073 -0.0071 0.0014 1017 HOH A O 2805 O O . HOH J . ? 0.1050 0.1102 0.0967 -0.0099 0.0024 0.0047 1018 HOH A O 2806 O O . HOH J . ? 0.1268 0.1076 0.1224 -0.0050 -0.0089 0.0101 1019 HOH A O 2807 O O . HOH J . ? 0.1149 0.1306 0.1269 0.0087 -0.0194 -0.0058 1020 HOH A O 2808 O O . HOH J . ? 0.1975 0.1269 0.1444 -0.0695 -0.0612 0.0284 1021 HOH A O 2809 O O . HOH J . ? 0.1241 0.0920 0.1242 0.0037 -0.0276 -0.0088 1022 HOH A O 2810 O O . HOH J . ? 0.0979 0.1218 0.1191 -0.0095 -0.0380 0.0223 1023 HOH A O 2811 O O . HOH J . ? 0.1033 0.0904 0.0937 0.0001 -0.0115 -0.0196 1024 HOH A O 2812 O O . HOH J . ? 0.1311 0.1276 0.1323 0.0143 -0.0250 -0.0263 1025 HOH A O 2813 O O . HOH J . ? 0.1135 0.0853 0.0878 0.0021 -0.0071 -0.0115 1026 HOH A O 2814 O O . HOH J . ? 0.0852 0.0788 0.1041 0.0048 -0.0129 -0.0049 1027 HOH A O 2815 O O . HOH J . ? 0.2029 0.1581 0.1384 0.0205 -0.0251 -0.0236 1028 HOH A O 2816 O O . HOH J . ? 0.0928 0.1221 0.1118 0.0076 -0.0056 -0.0196 1029 HOH A O 2817 O O . HOH J . ? 0.1083 0.1135 0.1194 -0.0208 -0.0201 0.0106 1030 HOH A O 2818 O O . HOH J . ? 0.0989 0.1005 0.1052 -0.0084 -0.0176 0.0033 1031 HOH A O 2819 O O . HOH J . ? 0.1183 0.1064 0.1432 -0.0013 -0.0097 -0.0392 1032 HOH A O 2820 O O . HOH J . ? 0.1705 0.2055 0.3887 0.0558 -0.0293 -0.0943 1033 HOH A O 2821 O O . HOH J . ? 0.1902 0.1793 0.1209 -0.0319 0.0189 0.0013 1034 HOH A O 2822 O O . HOH J . ? 0.1449 0.1739 0.1779 0.0060 -0.0274 0.0186 1035 HOH A O 2823 O O . HOH J . ? 0.1160 0.1097 0.1273 0.0070 0.0127 0.0010 1036 HOH A O 2824 O O . HOH J . ? 0.1422 0.1681 0.1241 0.0047 -0.0410 -0.0277 1037 HOH A O 2825 O O . HOH J . ? 0.1892 0.2247 0.1345 0.0390 -0.0053 0.0886 1038 HOH A O 2826 O O . HOH J . ? 0.1196 0.1444 0.1082 0.0045 -0.0035 0.0269 1039 HOH A O 2827 O O . HOH J . ? 0.2079 0.3672 0.3759 -0.0500 -0.0144 -0.1594 1040 HOH A O 2828 O O . HOH J . ? 0.1652 0.1134 0.1754 -0.0212 -0.0587 0.0338 1041 HOH A O 2829 O O . HOH J . ? 0.1033 0.1240 0.1366 -0.0103 -0.0085 -0.0100 1042 HOH A O 2830 O O . HOH J . ? 0.0806 0.1378 0.1243 -0.0138 -0.0263 0.0106 1043 HOH A O 2831 O O . HOH J . ? 0.1176 0.1137 0.1036 0.0171 -0.0037 -0.0044 1044 HOH A O 2832 O O . HOH J . ? 0.2610 0.3229 0.1489 0.1305 0.1023 0.1099 1045 HOH A O 2833 O O . HOH J . ? 0.2045 0.2820 0.1897 -0.0627 -0.0223 0.0267 1046 HOH A O 2834 O O . HOH J . ? 0.1432 0.1237 0.1125 -0.0096 0.0056 -0.0193 1047 HOH A O 2835 O O . HOH J . ? 0.1125 0.1580 0.1155 -0.0102 0.0152 -0.0164 1048 HOH A O 2836 O O . HOH J . ? 0.2580 0.1512 0.1345 -0.0513 -0.0413 0.0061 1049 HOH A O 2837 O O . HOH J . ? 0.1150 0.1848 0.1313 0.0098 -0.0089 -0.0327 1050 HOH A O 2838 O O . HOH J . ? 0.5546 0.1925 0.2174 0.1477 0.1876 0.0424 1051 HOH A O 2839 O O . HOH J . ? 0.1420 0.1367 0.1483 -0.0230 -0.0249 0.0174 1052 HOH A O 2840 O O . HOH J . ? 0.1276 0.1000 0.1330 -0.0114 -0.0488 0.0025 1053 HOH A O 2841 O O . HOH J . ? 0.1453 0.1227 0.2390 -0.0021 0.0047 0.0724 1054 HOH A O 2842 O O . HOH J . ? 0.1275 0.1495 0.1351 -0.0401 -0.0450 0.0446 1055 HOH A O 2843 O O . HOH J . ? 0.1315 0.1207 0.1689 0.0269 -0.0084 0.0126 1056 HOH A O 2844 O O . HOH J . ? 0.2660 0.2966 0.4571 0.0235 -0.0126 0.0575 1057 HOH A O 2845 O O . HOH J . ? 0.1889 0.1363 0.1849 -0.0347 0.0609 -0.0165 1058 HOH A O 2846 O O . HOH J . ? 0.2503 0.4453 0.4924 0.1061 -0.0638 -0.2128 1059 HOH A O 2847 O O . HOH J . ? 0.1645 0.1318 0.1376 0.0171 0.0109 -0.0189 1060 HOH A O 2848 O O . HOH J . ? 0.3041 0.2776 0.4571 0.0994 -0.2308 -0.2241 1061 HOH A O 2849 O O . HOH J . ? 0.1710 0.0992 0.3701 0.0090 -0.0444 0.0228 1062 HOH A O 2850 O O . HOH J . ? 0.2783 0.1644 0.1734 -0.0141 0.0289 -0.0224 1063 HOH A O 2851 O O . HOH J . ? 0.1497 0.1417 0.1193 -0.0397 0.0008 -0.0008 1064 HOH A O 2852 O O . HOH J . ? 0.2216 0.1804 0.1516 -0.0555 0.0083 -0.0069 1065 HOH A O 2853 O O . HOH J . ? 0.1090 0.2521 0.1689 -0.0507 -0.0402 0.0895 1066 HOH A O 2854 O O . HOH J . ? 0.1880 0.1545 0.1381 -0.0562 -0.0148 0.0050 1067 HOH A O 2855 O O . HOH J . ? 0.0959 0.1648 0.1065 -0.0034 -0.0252 -0.0024 1068 HOH A O 2856 O O . HOH J . ? 0.1167 0.3773 0.1551 -0.0742 0.0030 -0.0970 1069 HOH A O 2857 O O . HOH J . ? 0.3468 0.1771 0.2457 -0.0908 -0.0987 -0.0499 1070 HOH A O 2858 O O . HOH J . ? 0.2595 0.2236 0.2279 -0.0179 -0.0348 -0.0048 1071 HOH A O 2859 O O . HOH J . ? 0.0845 0.1089 0.1164 -0.0017 -0.0006 -0.0025 1072 HOH A O 2860 O O . HOH J . ? 0.3676 0.1854 0.1098 -0.0810 -0.0441 -0.0073 1073 HOH A O 2861 O O . HOH J . ? 0.1904 0.2116 0.1804 0.0334 -0.0295 0.0142 1074 HOH A O 2862 O O . HOH J . ? 0.1853 0.1555 0.1008 -0.0008 -0.0116 0.0030 1075 HOH A O 2863 O O . HOH J . ? 0.3015 0.4692 0.1760 0.1433 0.0821 0.0395 1076 HOH A O 2864 O O . HOH J . ? 0.2663 0.3518 0.1754 -0.0490 -0.1092 -0.0647 1077 HOH A O 2865 O O . HOH J . ? 0.1480 0.1513 0.1586 0.0078 0.0322 -0.0189 1078 HOH A O 2866 O O . HOH J . ? 0.1974 0.3568 0.2174 0.0081 0.0126 -0.0335 1079 HOH A O 2867 O O . HOH J . ? 0.1301 0.1451 0.2063 -0.0023 0.0223 -0.0329 1080 HOH A O 2868 O O . HOH J . ? 0.1410 0.1286 0.1597 0.0135 -0.0271 0.0085 1081 HOH A O 2869 O O . HOH J . ? 0.3023 0.2541 0.1663 -0.0518 -0.0335 0.0375 1082 HOH A O 2870 O O . HOH J . ? 0.1199 0.1335 0.1724 0.0110 -0.0121 0.0003 1083 HOH A O 2871 O O . HOH J . ? 0.1005 0.0909 0.0783 0.0000 -0.0148 -0.0047 1084 HOH A O 2872 O O . HOH J . ? 0.0829 0.0703 0.0843 -0.0054 -0.0081 0.0063 1085 HOH A O 2873 O O . HOH J . ? 0.1059 0.1029 0.1086 -0.0081 -0.0030 0.0053 1086 HOH A O 2874 O O . HOH J . ? 0.0898 0.0838 0.0813 -0.0048 -0.0242 0.0021 1087 HOH A O 2875 O O . HOH J . ? 0.1316 0.1124 0.1257 -0.0131 -0.0150 -0.0069 1088 HOH A O 2876 O O . HOH J . ? 0.1110 0.1027 0.0918 0.0046 0.0083 -0.0087 1089 HOH A O 2877 O O . HOH J . ? 0.1576 0.1431 0.1297 -0.0383 -0.0344 0.0137 1090 HOH A O 2878 O O . HOH J . ? 0.1018 0.1173 0.1254 -0.0370 0.0201 -0.0342 1091 HOH A O 2879 O O . HOH J . ? 0.1426 0.0971 0.1293 -0.0123 -0.0121 0.0021 1092 HOH A O 2880 O O . HOH J . ? 0.2163 0.1283 0.1180 -0.0040 -0.0321 -0.0167 1093 HOH A O 2881 O O . HOH J . ? 0.1217 0.1219 0.1062 0.0104 -0.0052 -0.0111 1094 HOH A O 2882 O O . HOH J . ? 0.1107 0.0836 0.1181 -0.0015 -0.0175 -0.0055 1095 HOH A O 2883 O O . HOH J . ? 0.1713 0.1662 0.1394 0.0020 -0.0111 0.0247 1096 HOH A O 2884 O O . HOH J . ? 0.1148 0.0972 0.1182 0.0142 -0.0361 -0.0105 1097 HOH A O 2885 O O . HOH J . ? 0.2773 0.1924 0.2191 0.0231 0.0066 -0.0610 1098 HOH A O 2886 O O . HOH J . ? 0.1819 0.1435 0.0979 -0.0113 -0.0157 0.0111 1099 HOH A O 2887 O O . HOH J . ? 0.3538 0.6562 0.2316 -0.2230 -0.1069 0.1815 1100 HOH A O 2888 O O . HOH J . ? 0.2114 0.5110 0.2502 0.1039 -0.0733 -0.1944 1101 HOH A O 2889 O O . HOH J . ? 0.4089 0.1844 0.2716 0.0431 -0.0779 0.0041 1102 HOH A O 2890 O O . HOH J . ? 0.2566 0.2010 0.3314 -0.0517 0.1243 -0.0933 1103 HOH A O 2891 O O . HOH J . ? 0.2083 0.0882 0.1077 0.0017 -0.0346 0.0042 1104 HOH A O 2892 O O . HOH J . ? 0.1569 0.0933 0.1778 0.0217 -0.0115 0.0140 1105 HOH A O 2893 O O . HOH J . ? 0.2203 0.0676 0.2145 -0.0108 -0.0887 0.0009 1106 HOH A O 2894 O O . HOH J . ? 0.2237 0.2025 0.2087 0.0011 -0.0728 -0.0294 1107 HOH A O 2895 O O . HOH J . ? 0.2227 0.4022 0.3810 -0.0883 0.0028 -0.2313 1108 HOH A O 2896 O O . HOH J . ? 0.2181 0.1961 0.1763 -0.0548 0.0096 -0.0244 1109 HOH A O 2897 O O . HOH J . ? 0.1963 0.1433 0.2553 0.0401 -0.0363 -0.0024 1110 HOH A O 2898 O O . HOH J . ? 0.1573 0.1806 0.1565 -0.0471 -0.0049 -0.0042 1111 HOH A O 2899 O O . HOH J . ? 0.1901 0.2840 0.2755 -0.0143 0.0289 -0.0173 1112 HOH A O 2900 O O . HOH J . ? 0.2294 0.1142 0.1772 -0.0111 0.0575 0.0361 1113 HOH A O 2901 O O . HOH J . ? 0.3218 0.1752 0.3425 -0.0023 0.1153 0.0622 1114 HOH A O 2902 O O . HOH J . ? 0.1387 0.1789 0.2018 -0.0247 -0.0623 0.0255 1115 HOH A O 2903 O O . HOH J . ? 0.2194 0.1556 0.1726 -0.0013 -0.0241 0.0259 1116 HOH A O 2904 O O . HOH J . ? 0.1939 0.2346 0.1482 -0.0606 -0.0225 0.0073 1117 HOH A O 2905 O O . HOH J . ? 0.1594 0.1361 0.1458 0.0162 -0.0129 -0.0259 1118 HOH A O 2906 O O . HOH J . ? 0.1961 0.3161 0.1846 0.0429 -0.0700 -0.0198 1119 HOH A O 2907 O O . HOH J . ? 0.2212 0.1416 0.5193 -0.0478 -0.0264 -0.0386 1120 HOH A O 2908 O O . HOH J . ? 0.1728 0.1248 0.1538 0.0140 -0.0424 -0.0030 1121 HOH A O 2909 O O . HOH J . ? 0.1865 0.1839 0.1371 0.0261 0.0076 -0.0187 1122 HOH A O 2910 O O . HOH J . ? 0.2761 0.1889 0.1608 0.0896 0.0214 -0.0218 1123 HOH A O 2911 O O . HOH J . ? 0.1288 0.2270 0.1345 0.0259 -0.0334 0.0157 1124 HOH A O 2912 O O . HOH J . ? 0.1329 0.1180 0.0978 -0.0093 0.0149 -0.0194 1125 HOH A O 2913 O O . HOH J . ? 0.2904 0.1595 0.2797 -0.0494 -0.0898 0.0610 1126 HOH A O 2914 O O . HOH J . ? 0.0716 0.0795 0.0910 0.0001 -0.0163 0.0050 1127 HOH A O 2915 O O . HOH J . ? 0.1930 0.2316 0.1796 -0.0541 0.0255 0.0355 1128 HOH A O 2916 O O . HOH J . ? 0.1280 0.1122 0.1137 0.0081 -0.0089 -0.0036 1129 HOH A O 2917 O O . HOH J . ? 0.2611 0.2439 0.3182 0.0884 0.1286 0.0517 1130 HOH A O 2918 O O . HOH J . ? 0.1277 0.1078 0.1163 0.0171 -0.0176 -0.0140 1131 HOH A O 2919 O O . HOH J . ? 0.1332 0.1098 0.1539 0.0016 -0.0169 -0.0038 1132 HOH A O 2920 O O . HOH J . ? 0.1219 0.1160 0.2137 -0.0132 -0.0452 0.0378 1133 HOH A O 2921 O O . HOH J . ? 0.2789 0.2825 0.2521 0.0541 -0.0956 0.0931 1134 HOH A O 2922 O O . HOH J . ? 0.0975 0.1570 0.1172 -0.0090 -0.0112 -0.0202 1135 HOH A O 2923 O O . HOH J . ? 0.1585 0.1649 0.1235 -0.0210 -0.0170 0.0314 1136 HOH A O 2924 O O . HOH J . ? 0.4837 0.2349 0.3351 0.1465 0.2556 0.1012 1137 HOH A O 2925 O O . HOH J . ? 0.1953 0.2163 0.4234 -0.0253 0.0467 0.0585 1138 HOH A O 2926 O O . HOH J . ? 0.5833 0.4008 0.1601 -0.2443 0.1813 -0.0724 1139 HOH A O 2927 O O . HOH J . ? 0.2517 0.1835 0.2609 0.0645 -0.0152 0.0540 1140 HOH A O 2928 O O . HOH J . ? 0.2633 0.0877 0.1147 0.0168 -0.0255 0.0077 1141 HOH A O 2929 O O . HOH J . ? 0.2646 0.1553 0.3396 0.0511 0.0843 0.0590 1142 HOH A O 2930 O O . HOH J . ? 0.2520 0.2233 0.3439 0.0607 -0.1693 -0.0005 1143 HOH A O 2931 O O . HOH J . ? 0.1728 0.1976 0.1380 -0.0453 -0.0088 -0.0566 1144 HOH A O 2932 O O . HOH J . ? 0.4880 0.4429 0.2667 0.0185 0.1319 0.0476 1145 HOH A O 2933 O O . HOH J . ? 0.1459 0.1264 0.1362 0.0077 0.0059 -0.0065 1146 HOH A O 2934 O O . HOH J . ? 0.1801 0.6687 0.3248 -0.0812 -0.0711 0.1664 1147 HOH A O 2935 O O . HOH J . ? 0.3956 0.2423 0.2764 0.0803 0.0306 -0.0056 1148 HOH A O 2936 O O . HOH J . ? 0.2605 0.2657 0.4153 0.0060 -0.1738 0.0403 1149 HOH A O 2937 O O . HOH J . ? 0.2313 0.4063 0.2736 0.0817 -0.0394 0.0970 1150 HOH A O 2938 O O . HOH J . ? 0.1722 0.1700 0.2114 -0.0127 -0.0455 0.0180 1151 HOH A O 2939 O O . HOH J . ? 0.1496 0.2653 0.1616 0.0508 0.0015 0.0549 1152 HOH A O 2940 O O . HOH J . ? 0.2038 0.2343 0.5536 -0.0159 -0.0386 0.2176 1153 HOH A O 2941 O O . HOH J . ? 0.3537 0.3693 0.1278 -0.1140 0.0720 -0.0261 1154 HOH A O 2942 O O . HOH J . ? 0.1782 0.1473 0.2487 -0.0246 -0.0408 -0.0083 1155 HOH A O 2943 O O . HOH J . ? 0.5796 0.1732 0.1857 -0.1395 -0.0480 0.0258 1156 HOH A O 2944 O O . HOH J . ? 0.1812 0.2881 0.1811 -0.0656 0.0447 -0.0519 1157 HOH A O 2945 O O . HOH J . ? 0.2556 0.1438 0.2186 -0.0093 -0.1523 0.0145 1158 HOH A O 2946 O O . HOH J . ? 0.3554 0.5864 0.2398 0.3074 -0.0982 -0.1683 1159 HOH A O 2947 O O . HOH J . ? 0.1281 0.0725 0.1327 -0.0035 -0.0133 -0.0175 1160 HOH A O 2948 O O . HOH J . ? 0.1778 0.1607 0.1146 -0.0088 0.0014 -0.0133 1161 HOH A O 2949 O O . HOH J . ? 0.1293 0.1460 0.1433 0.0307 -0.0358 -0.0354 1162 HOH A O 2950 O O . HOH J . ? 0.1661 0.0949 0.1327 -0.0122 -0.0260 0.0025 1163 HOH A O 2951 O O . HOH J . ? 0.1331 0.2417 0.0892 -0.0557 -0.0011 -0.0109 1164 HOH A O 2952 O O . HOH J . ? 0.1289 0.1196 0.1219 0.0265 -0.0249 0.0011 1165 HOH A O 2953 O O . HOH J . ? 0.1369 0.1585 0.1631 0.0005 -0.0282 0.0163 1166 HOH A O 2954 O O . HOH J . ? 0.1504 0.1224 0.2017 0.0159 -0.0381 -0.0154 1167 HOH A O 2955 O O . HOH J . ? 0.2587 0.3729 0.1719 0.0644 -0.0398 -0.0097 1168 HOH A O 2956 O O . HOH J . ? 0.2502 0.2537 0.1089 0.0383 0.0028 0.0499 1169 HOH A O 2957 O O . HOH J . ? 0.1217 0.2009 0.1539 0.0553 0.0169 0.0282 1170 HOH A O 2958 O O . HOH J . ? 0.1328 0.1668 0.1809 -0.0283 0.0091 -0.0050 1171 HOH A O 2959 O O . HOH J . ? 0.1378 0.1235 0.2066 0.0088 -0.0150 0.0450 1172 HOH A O 2960 O O . HOH J . ? 0.2785 0.3040 0.2382 0.0089 0.0216 0.0172 1173 HOH A O 2961 O O . HOH J . ? 0.2985 0.2767 0.5076 -0.0161 -0.0515 0.1678 1174 HOH A O 2962 O O . HOH J . ? 0.1560 0.1184 0.1613 -0.0214 -0.0187 -0.0117 1175 HOH A O 2963 O O . HOH J . ? 0.1846 0.2625 0.2837 -0.0123 0.0346 -0.0585 1176 HOH A O 2964 O O . HOH J . ? 0.1753 0.1867 0.1900 -0.0491 -0.0158 0.0183 1177 HOH A O 2965 O O . HOH J . ? 0.6903 0.3710 0.2650 -0.2476 0.1200 -0.0281 1178 HOH A O 2966 O O . HOH J . ? 0.1820 0.3730 0.1919 -0.0187 -0.0348 -0.0476 1179 HOH A O 2967 O O . HOH J . ? 0.1500 0.1386 0.3230 -0.0326 0.0244 0.0428 1180 HOH A O 2968 O O . HOH J . ? 0.2712 0.3460 0.2172 0.0346 0.0584 0.0475 1181 HOH A O 2969 O O . HOH J . ? 0.3211 0.2872 0.3185 0.1536 0.0995 0.0810 1182 HOH A O 2970 O O . HOH J . ? 0.3249 0.4969 0.6163 -0.1318 -0.0950 -0.0305 1183 HOH A O 2971 O O . HOH J . ? 0.3607 0.2969 0.2699 -0.0927 -0.1241 -0.0153 1184 HOH A O 2972 O O . HOH J . ? 0.1812 0.2443 0.1904 0.0013 0.0273 -0.0794 1185 HOH A O 2973 O O . HOH J . ? 0.1680 0.4794 0.2182 -0.1096 0.0031 -0.0644 1186 HOH A O 2974 O O . HOH J . ? 0.1745 0.2224 0.1330 -0.0588 -0.0099 0.0229 1187 HOH A O 2975 O O . HOH J . ? 0.3160 0.2982 0.2353 -0.0577 0.0438 0.0776 1188 HOH A O 2976 O O . HOH J . ? 0.3108 0.4218 0.2464 -0.1077 0.0186 0.0301 1189 HOH A O 2977 O O . HOH J . ? 0.3791 0.2834 0.3115 0.1706 0.0544 -0.0384 1190 HOH A O 2978 O O . HOH J . ? 0.1699 0.1195 0.0969 0.0211 -0.0188 -0.0043 1191 HOH A O 2979 O O . HOH J . ? 0.1400 0.1014 0.1196 0.0019 -0.0054 -0.0183 1192 HOH A O 2980 O O . HOH J . ? 0.1292 0.1387 0.1278 -0.0090 -0.0357 -0.0007 1193 HOH A O 2981 O O . HOH J . ? 0.1689 0.2201 0.1389 -0.0380 -0.0020 0.0456 1194 HOH A O 2982 O O . HOH J . ? 0.2045 0.1627 0.2506 -0.0048 0.0641 -0.0222 1195 HOH A O 2983 O O . HOH J . ? 0.1103 0.1264 0.2678 -0.0175 -0.0861 0.0384 1196 HOH A O 2984 O O . HOH J . ? 0.1171 0.1575 0.1442 0.0077 -0.0115 0.0238 1197 HOH A O 2985 O O . HOH J . ? 0.1862 0.1921 0.1523 -0.0368 -0.0346 0.0092 1198 HOH A O 2986 O O . HOH J . ? 0.1749 0.4043 0.4299 0.0339 0.0740 -0.0348 1199 HOH A O 2987 O O . HOH J . ? 0.2288 0.2527 0.2299 -0.0803 -0.1114 0.0867 1200 HOH A O 2988 O O . HOH J . ? 0.2070 0.2577 0.1893 -0.0590 0.0203 -0.0183 1201 HOH A O 2989 O O . HOH J . ? 0.1815 0.1768 0.1370 -0.0083 -0.0321 0.0163 1202 HOH A O 2990 O O . HOH J . ? 0.1855 0.1941 0.1669 -0.0217 0.0279 -0.0139 1204 HOH A O 2991 O O . HOH J . ? 0.1403 0.1689 0.2940 0.0018 0.0063 -0.0262 1205 HOH A O 2992 O O . HOH J . ? 0.3353 0.1610 0.1701 -0.0210 0.0880 -0.0082 1206 HOH A O 2993 O O . HOH J . ? 0.1871 0.1912 0.5218 -0.0555 -0.1275 0.1223 1207 HOH A O 2994 O O . HOH J . ? 0.3160 0.3464 0.1593 0.0906 0.0393 0.0473 1208 HOH A O 2995 O O . HOH J . ? 0.4062 0.2356 0.2237 -0.0959 -0.1046 -0.0229 1209 HOH A O 2996 O O . HOH J . ? 0.2327 0.2052 0.1695 -0.0087 0.0200 0.0011 1210 HOH A O 2997 O O . HOH J . ? 0.4571 0.3011 0.1924 -0.1030 0.0175 -0.0052 1211 HOH A O 2998 O O . HOH J . ? 0.2473 0.1125 0.2030 -0.0147 0.0262 0.0266 1212 HOH A O 2999 O O . HOH J . ? 0.2334 0.1598 0.1519 -0.0239 0.0299 0.0315 1213 HOH A O 3000 O O . HOH J . ? 0.2678 0.1692 0.2855 -0.0364 0.0567 -0.0600 1214 HOH A O 3001 O O . HOH J . ? 0.4657 0.3414 0.5698 -0.0850 -0.3096 0.0138 1215 HOH A O 3002 O O . HOH J . ? 0.1832 0.2704 0.1622 -0.0783 0.0065 0.0162 1216 HOH A O 3003 O O . HOH J . ? 0.1217 0.2023 0.1900 -0.0095 -0.0040 -0.0030 1217 HOH A O 3004 O O . HOH J . ? 0.1608 0.2981 0.2577 0.0000 -0.0640 0.0233 1218 HOH A O 3005 O O . HOH J . ? 0.1967 0.2682 0.3166 0.0095 0.0525 0.0757 1219 HOH A O 3006 O O . HOH J . ? 0.1888 0.1912 0.3449 0.0427 -0.1138 -0.1290 1220 HOH A O 3007 O O . HOH J . ? 0.1801 0.1838 0.1737 -0.0005 -0.0342 -0.0099 1221 HOH A O 3008 O O . HOH J . ? 0.1828 0.7621 0.1705 0.0075 0.0032 0.1603 1222 HOH A O 3009 O O . HOH J . ? 0.1348 0.5241 0.2097 0.0998 -0.0552 -0.1695 1223 HOH A O 3010 O O . HOH J . ? 0.3037 0.2008 0.6977 0.0719 -0.2909 -0.0901 1224 HOH A O 3011 O O . HOH J . ? 0.5355 0.6088 0.3244 -0.1744 -0.1255 -0.1780 1225 HOH A O 3012 O O . HOH J . ? 0.1639 0.1810 0.1992 -0.0055 -0.0191 -0.0051 1226 HOH A O 3013 O O . HOH J . ? 0.1438 0.2228 0.3107 0.0080 0.0336 0.0798 1227 HOH A O 3014 O O . HOH J . ? 0.2574 0.1751 0.2073 0.0594 -0.0434 -0.0117 1228 HOH A O 3015 O O . HOH J . ? 0.3651 0.2178 0.2438 -0.1199 -0.0141 0.0105 1229 HOH A O 3016 O O . HOH J . ? 0.5521 0.2824 0.3047 0.0493 0.0650 -0.0677 1230 HOH A O 3017 O O . HOH J . ? 0.3121 0.3407 0.2322 0.1089 -0.0677 0.0358 1231 HOH A O 3018 O O . HOH J . ? 0.1923 0.1690 0.1643 0.0361 -0.0190 -0.0101 1232 HOH A O 3019 O O . HOH J . ? 0.1839 0.2022 0.2355 0.0289 -0.0062 -0.0635 1233 HOH A O 3020 O O . HOH J . ? 0.4402 0.3154 0.3082 -0.1532 -0.1235 0.0182 1234 HOH A O 3021 O O . HOH J . ? 0.7952 0.2470 0.1569 0.1341 -0.0797 0.0043 1235 HOH A O 3022 O O . HOH J . ? 0.1803 0.2591 0.2669 0.0436 0.0187 -0.0576 1236 HOH A O 3023 O O . HOH J . ? 0.2814 0.1752 0.2892 -0.0173 0.0502 0.0096 1237 HOH A O 3024 O O . HOH J . ? 0.3995 0.4942 0.3554 -0.0619 0.1812 -0.0488 1238 HOH A O 3025 O O . HOH J . ? 0.5025 0.3735 0.6578 -0.1062 0.3390 0.0706 1239 HOH A O 3026 O O . HOH J . ? 0.3888 0.3915 0.4050 -0.1258 0.2191 -0.1471 1240 HOH A O 3027 O O . HOH J . ? 0.2559 0.2585 0.2590 -0.0226 -0.0263 -0.0273 1241 HOH A O 3028 O O . HOH J . ? 0.3150 0.2185 0.2781 -0.0517 -0.0855 0.0163 1242 HOH A O 3029 O O . HOH J . ? 0.4464 0.2265 0.2075 0.0426 0.0270 0.0033 1243 HOH A O 3030 O O . HOH J . ? 0.1955 0.2034 0.1719 -0.0312 -0.0476 0.0067 1244 HOH A O 3031 O O . HOH J . ? 0.2922 0.3005 0.2610 0.0503 -0.0024 0.0682 1245 HOH A O 3032 O O . HOH J . ? 0.8526 0.3005 0.2279 0.0810 0.0489 0.0195 1246 HOH A O 3033 O O . HOH J . ? 0.1927 0.3131 0.2113 0.0579 -0.0594 -0.0083 1247 HOH A O 3034 O O . HOH J . ? 0.1682 0.3848 0.2067 0.0717 0.0046 0.0155 1248 HOH A O 3035 O O . HOH J . ? 0.2787 0.4055 0.2224 0.1231 0.0467 -0.0184 1249 HOH A O 3036 O O . HOH J . ? 0.3581 0.3402 0.2478 0.0971 0.0007 0.0014 1250 HOH A O 3037 O O . HOH J . ? 0.1088 0.2843 0.1812 -0.0288 -0.0017 0.0161 1251 HOH A O 3038 O O . HOH J . ? 0.5146 0.2113 0.2283 0.0004 -0.1008 -0.0060 1252 HOH A O 3039 O O . HOH J . ? 0.3243 0.1786 0.5023 -0.0431 -0.2608 0.1045 1254 HOH A O 3040 O O . HOH J . ? 0.2959 0.2235 0.2775 0.0842 0.0199 -0.0590 1255 HOH A O 3041 O O . HOH J . ? 0.2601 0.2546 0.2891 0.0338 -0.0443 -0.0034 1256 HOH A O 3042 O O . HOH J . ? 0.2542 0.4831 0.2845 0.0616 0.0176 -0.0026 1257 HOH A O 3043 O O . HOH J . ? 0.2321 0.3313 0.2825 -0.0341 0.0333 -0.0689 1258 HOH A O 3044 O O . HOH J . ? 0.3145 0.2759 0.2440 0.1332 0.0866 0.0775 1259 HOH A O 3045 O O . HOH J . ? 0.3665 0.2787 0.1834 0.1470 -0.0625 -0.0333 1261 HOH A O 3046 O O . HOH J . ? 0.3565 0.4407 0.4303 0.1516 0.1432 0.2498 1262 HOH A O 3047 O O . HOH J . ? 0.4898 0.5509 0.6003 0.1776 0.1829 0.4387 1263 HOH A O 3048 O O . HOH J . ? 0.3239 0.2127 0.3607 0.0149 0.0845 -0.0140 1264 HOH A O 3049 O O . HOH J . ? 0.2227 0.2131 0.3490 -0.0437 -0.0123 -0.1076 1265 HOH A O 3050 O O . HOH J . ? 0.3408 0.4254 0.1764 -0.2005 -0.0571 0.0738 1266 HOH A O 3051 O O . HOH J . ? 0.2922 0.3256 0.2610 -0.0963 0.0668 -0.1262 1267 HOH A O 3052 O O . HOH J . ? 0.3395 0.3949 0.4853 0.1744 0.2222 0.1540 1268 HOH A O 3053 O O . HOH J . ? 0.1993 0.3295 0.1788 -0.0080 -0.0199 -0.0280 1269 HOH A O 3054 O O . HOH J . ? 0.3251 0.3153 0.5120 0.1581 -0.0197 -0.1131 1270 HOH A O 3055 O O . HOH J . ? 0.4788 0.1663 0.1634 -0.0078 -0.0183 -0.0001 1271 HOH A O 3056 O O . HOH J . ? 0.1721 0.3711 0.4412 -0.0302 0.0308 -0.2257 1272 HOH A O 3057 O O . HOH J . ? 0.3394 0.2289 0.2161 -0.0219 -0.0114 0.0272 1273 HOH A O 3058 O O . HOH J . ? 0.2872 0.3436 0.1926 0.0243 0.0347 -0.0027 1274 HOH A O 3059 O O . HOH J . ? 0.3389 0.2287 0.2536 0.0139 -0.0061 -0.1016 1275 HOH A O 3060 O O . HOH J . ? 0.2671 0.3499 0.3998 0.1466 -0.1189 -0.0264 1276 HOH A O 3061 O O . HOH J . ? 0.4503 0.6520 0.2767 -0.1145 -0.1069 0.1589 1277 HOH A O 3062 O O . HOH J . ? 0.3108 0.2017 0.4940 0.0228 -0.0041 -0.0122 1278 HOH A O 3063 O O . HOH J . ? 0.3945 0.4552 0.2971 0.0578 -0.0803 -0.2127 1279 HOH A O 3064 O O . HOH J . ? 0.2450 0.5959 0.3226 0.1665 0.0098 0.2457 1280 HOH A O 3065 O O . HOH J . ? 0.1600 0.1964 0.4477 -0.0277 0.0453 -0.0595 1281 HOH A O 3066 O O . HOH J . ? 0.2763 0.5579 0.4270 -0.2330 -0.1937 0.2876 1282 HOH A O 3067 O O . HOH J . ? 0.2449 0.3266 0.2752 -0.0387 0.0827 -0.0292 1283 HOH A O 3068 O O . HOH J . ? 0.1867 0.2796 0.3652 -0.0074 0.1124 -0.0608 1284 HOH A O 3069 O O . HOH J . ? 0.3948 0.4352 0.2540 0.1259 -0.0478 -0.1237 1285 HOH A O 3070 O O . HOH J . ? 0.2360 0.1807 0.1627 0.0476 -0.0356 -0.0134 1286 HOH A O 3071 O O . HOH J . ? 0.5870 0.2625 0.3395 0.0469 -0.0855 -0.0074 1287 HOH A O 3072 O O . HOH J . ? 0.2499 0.2236 0.1881 -0.0253 -0.0049 -0.0261 1288 HOH A O 3073 O O . HOH J . ? 0.3572 0.4291 0.3701 0.0171 -0.0074 -0.0184 1289 HOH A O 3074 O O . HOH J . ? 0.1595 0.2602 0.4325 -0.0362 0.0158 -0.0148 1290 HOH A O 3075 O O . HOH J . ? 0.3139 0.4501 0.2213 -0.0474 0.0015 0.1225 1291 HOH A O 3076 O O . HOH J . ? 0.3067 0.2498 0.5514 -0.1251 0.2073 -0.1367 1292 HOH A O 3077 O O . HOH J . ? 0.5051 0.3155 0.2645 -0.0011 0.0761 0.0185 1293 HOH A O 3078 O O . HOH J . ? 0.3245 0.2215 0.2608 0.0287 -0.0077 0.0883 1294 HOH A O 3079 O O . HOH J . ? 0.3165 0.4029 0.4093 0.0858 -0.0542 -0.1635 1295 HOH A O 3080 O O . HOH J . ? 0.1783 0.2292 0.2644 0.0715 -0.0390 -0.0155 1296 HOH A O 3081 O O . HOH J . ? 0.2971 0.3448 0.2349 -0.0099 -0.0344 0.0783 1297 HOH A O 3082 O O . HOH J . ? 0.4176 0.2399 0.2676 -0.0459 -0.1198 0.0144 1298 HOH A O 3083 O O . HOH J . ? 0.2774 0.2868 0.2996 -0.0080 -0.0572 -0.0845 1299 HOH A O 3084 O O . HOH J . ? 0.2772 0.4044 0.2554 0.0855 0.0187 0.0872 1300 HOH A O 3085 O O . HOH J . ? 0.3514 0.4358 0.1637 -0.0234 -0.0190 0.0350 1301 HOH A O 3086 O O . HOH J . ? 0.3042 0.3232 0.1779 -0.0004 -0.0290 -0.0071 1302 HOH A O 3087 O O . HOH J . ? 0.5133 0.5989 0.2294 -0.0391 0.0001 0.1454 1303 HOH A O 3088 O O . HOH J . ? 0.4060 0.2803 0.4395 0.0073 0.0131 0.0689 1304 HOH A O 3089 O O . HOH J . ? 0.3716 0.5274 0.3883 0.2035 0.1018 0.0059 1305 HOH A O 3090 O O . HOH J . ? 0.2193 0.2026 0.2291 -0.0221 -0.0155 0.0247 1306 HOH A O 3091 O O . HOH J . ? 0.2606 0.2817 0.3208 0.0215 -0.1075 -0.0156 1307 HOH A O 3092 O O . HOH J . ? 0.3234 0.5946 0.3790 -0.1542 -0.0904 0.0020 1308 HOH A O 3093 O O . HOH J . ? 0.4578 0.2456 0.6168 0.1863 -0.2763 -0.2075 1309 HOH A O 3094 O O . HOH J . ? 0.2434 0.2609 0.1750 -0.0284 -0.0238 -0.0261 1310 HOH A O 3095 O O . HOH J . ? 0.5402 0.4255 0.2196 0.1042 0.0412 -0.0569 1311 HOH A O 3096 O O . HOH J . ? 0.4669 0.5031 0.2187 -0.0927 0.0360 0.0355 1312 HOH A O 3097 O O . HOH J . ? 0.3647 0.3013 0.2507 0.1461 0.1041 0.0666 1313 HOH A O 3098 O O . HOH J . ? 0.2690 0.2567 0.5464 -0.0782 -0.1924 0.2313 1314 HOH A O 3099 O O . HOH J . ? 0.3375 0.4342 0.3876 -0.1634 0.0527 -0.1494 1315 HOH A O 3100 O O . HOH J . ? 0.3466 0.4623 0.5891 -0.0770 0.2299 0.0015 1316 HOH A O 3101 O O . HOH J . ? 0.2396 0.2907 0.3267 0.0425 -0.0153 -0.0266 1318 HOH A O 3102 O O . HOH J . ? 0.5924 0.3389 0.5966 -0.2884 -0.0950 0.1179 1319 HOH A O 3103 O O . HOH J . ? 0.4527 0.6776 0.7231 0.1756 0.1947 -0.1430 1320 HOH A O 3104 O O . HOH J . ? 0.2658 0.3437 0.3160 0.0715 -0.0331 -0.0043 1321 HOH A O 3105 O O . HOH J . ? 0.4083 0.2850 0.3613 -0.0030 -0.1040 0.0197 1322 HOH A O 3106 O O . HOH J . ? 0.5274 0.1595 0.4318 -0.1152 0.0585 -0.0283 1323 HOH A O 3107 O O . HOH J . ? 0.3901 0.3548 0.2873 -0.0869 0.0394 0.0254 1324 HOH A O 3108 O O . HOH J . ? 0.1685 0.5386 0.6097 -0.0312 -0.0238 0.0374 1325 HOH A O 3109 O O . HOH J . ? 0.5824 0.5622 0.6691 -0.0601 -0.0242 0.1601 1327 HOH A O 3110 O O . HOH J . ? 0.2541 0.2285 0.3212 0.0271 -0.0709 0.0181 1328 HOH A O 3111 O O . HOH J . ? 0.4813 0.4177 0.2373 -0.1128 -0.0186 0.0769 1330 HOH A O 3112 O O . HOH J . ? 0.4210 0.5545 0.4128 0.0592 -0.1705 -0.0854 1331 HOH A O 3113 O O . HOH J . ? 0.4673 0.4944 0.5716 -0.2230 0.1205 -0.0942 1332 HOH A O 3114 O O . HOH J . ? 0.2709 0.4009 0.2161 0.0139 0.0364 -0.0078 1333 HOH A O 3115 O O . HOH J . ? 0.4712 0.3067 0.2689 0.0098 -0.0047 -0.0418 1334 HOH A O 3116 O O . HOH J . ? 0.3481 0.4360 0.1551 0.1195 0.0357 0.0782 1335 HOH A O 3117 O O . HOH J . ? 0.6121 0.3733 0.3256 -0.2808 -0.1879 0.0411 1337 HOH A O 3118 O O . HOH J . ? 0.7621 0.5404 0.3775 0.3473 0.0350 0.1830 1338 HOH A O 3119 O O . HOH J . ? 0.3651 0.4377 0.5096 0.1747 0.0184 0.1493 1339 HOH A O 3120 O O . HOH J . ? 0.4551 0.6647 0.1607 0.0441 -0.0443 -0.0252 1340 HOH A O 3121 O O . HOH J . ? 0.4305 0.5152 0.3873 -0.0073 0.0735 0.0577 1341 HOH A O 3122 O O . HOH J . ? 0.7399 0.5980 0.7213 0.5249 -0.2968 -0.1759 1342 HOH A O 3123 O O . HOH J . ? 0.3973 0.6201 0.7324 -0.1441 -0.0365 -0.1069 1343 HOH A O 3124 O O . HOH J . ? 0.1923 0.2040 0.2322 0.0377 0.0114 -0.0082 1344 HOH A O 3125 O O . HOH J . ? 0.2349 0.3315 0.4947 0.0704 0.1137 0.1173 1345 HOH A O 3126 O O . HOH J . ? 0.2992 0.3100 0.2062 -0.1248 -0.0003 -0.0087 1346 HOH A O 3127 O O . HOH J . ? 0.3504 0.6047 0.4182 -0.2401 -0.2075 0.2787 1347 HOH A O 3128 O O . HOH J . ? 0.5717 0.6592 0.3418 -0.0922 0.2534 0.0067 1348 HOH A O 3129 O O . HOH J . ? 0.5957 0.4194 0.4649 0.2116 -0.0723 -0.2181 1349 HOH A O 3130 O O . HOH J . ? 0.2139 0.3962 0.4413 -0.0564 -0.0789 -0.0432 1350 HOH A O 3131 O O . HOH J . ? 0.2110 0.3250 0.4212 0.0576 -0.0960 0.0236 1351 HOH A O 3132 O O . HOH J . ? 0.3830 0.4542 0.6656 -0.2892 -0.1271 0.1502 1352 HOH A O 3133 O O . HOH J . ? 0.3722 0.4742 0.5486 -0.0836 -0.1203 -0.0105 1353 HOH A O 3134 O O . HOH J . ? 0.2278 0.3357 0.1879 0.0242 0.0306 -0.0289 1354 HOH A O 3135 O O . HOH J . ? 0.1393 0.3701 0.3527 -0.0656 0.0624 -0.0758 1355 HOH A O 3136 O O . HOH J . ? 0.2188 0.5494 0.2543 -0.1278 0.0252 -0.0683 1356 HOH A O 3137 O O . HOH J . ? 0.4584 0.5545 0.4346 -0.0281 -0.1992 0.3017 1357 HOH A O 3138 O O . HOH J . ? 0.4797 0.3729 0.1917 0.0846 -0.0421 -0.0002 1358 HOH A O 3139 O O . HOH J . ? 0.1812 0.3100 0.7331 -0.0209 -0.0533 0.1268 1359 HOH A O 3140 O O . HOH J . ? 0.2549 0.3280 0.5908 -0.0951 -0.0104 0.1126 1360 HOH A O 3141 O O . HOH J . ? 0.2312 0.9576 0.3742 -0.1168 0.1335 -0.3271 1362 HOH A O 3142 O O . HOH J . ? 0.3537 0.2996 0.5295 -0.0031 -0.1826 -0.0545 1363 HOH A O 3143 O O . HOH J . ? 0.2582 0.3328 0.1737 0.0712 -0.0271 0.0013 1364 HOH A O 3144 O O . HOH J . ? 0.2532 0.2516 0.3171 0.0059 0.1384 -0.0506 1365 HOH A O 3145 O O . HOH J . ? 0.2520 0.1585 0.2658 -0.0226 -0.0295 -0.0196 1366 HOH A O 3146 O O . HOH J . ? 0.4478 0.1791 0.3319 -0.0387 0.0658 -0.0334 1367 HOH A O 3147 O O . HOH J . ? 0.3229 0.3971 0.8350 0.1240 -0.2313 -0.1544 1368 HOH A O 3148 O O . HOH J . ? 0.2197 0.2318 0.2987 0.0428 0.0306 -0.0480 1369 HOH A O 3149 O O . HOH J . ? 0.6053 0.5531 0.5478 -0.2582 0.2273 0.0785 1370 HOH A O 3150 O O . HOH J . ? 0.1457 0.2362 0.1951 0.0170 0.0169 -0.0093 1371 HOH A O 3151 O O . HOH J . ? 0.1216 0.1173 0.1483 0.0109 0.0056 0.0106 1372 HOH A O 3152 O O . HOH J . ? 0.2512 0.4291 0.4114 -0.0418 -0.1557 0.0995 1373 HOH A O 3153 O O . HOH J . ? 0.9060 0.7533 0.3400 0.0776 -0.1071 -0.0540 1374 HOH A O 3154 O O . HOH J . ? 0.3279 0.4851 0.2617 0.0230 -0.1116 -0.1200 1375 HOH A O 3155 O O . HOH J . ? 0.3378 0.4573 0.2452 -0.0864 -0.0790 0.0836 1376 HOH A O 3156 O O . HOH J . ? 0.5597 0.6314 0.3451 -0.0807 0.2441 -0.1204 1378 HOH A O 3157 O O . HOH J . ? 0.5003 0.3222 0.5922 0.0115 -0.2586 0.0842 1379 HOH A O 3158 O O . HOH J . ? 0.2502 0.6576 0.5779 0.0443 -0.1051 0.1986 1380 HOH A O 3159 O O . HOH J . ? 0.1766 0.1720 0.3773 -0.0035 -0.0437 -0.0416 1381 HOH A O 3160 O O . HOH J . ? 0.2912 0.2194 0.1621 0.0106 0.0150 0.0223 1382 HOH A O 3161 O O . HOH J . ? 0.5422 0.7231 0.7312 -0.0379 -0.0824 -0.2075 1383 HOH A O 3162 O O . HOH J . ? 0.6457 0.2630 0.4765 0.1497 -0.3511 -0.1192 1384 HOH A O 3163 O O . HOH J . ? 0.5478 0.5030 0.2516 -0.1027 -0.1935 0.0545 1385 HOH A O 3164 O O . HOH J . ? 0.2673 0.1608 0.3249 0.0431 0.0401 -0.0225 1386 HOH A O 3165 O O . HOH J . ? 0.3264 0.3103 0.1635 -0.0274 -0.0293 -0.0306 1387 HOH A O 3166 O O . HOH J . ? 0.7715 0.2965 0.3044 0.2353 -0.2948 -0.0983 1388 HOH A O 3167 O O . HOH J . ? 0.3947 0.3219 0.5705 0.1352 -0.2435 -0.0182 1389 HOH A O 3168 O O . HOH J . ? 0.3965 0.2875 0.7102 0.0270 0.0143 0.0505 1390 HOH A O 3169 O O . HOH J . ? 0.1986 0.3443 0.3910 0.0801 0.0031 0.0047 1391 HOH A O 3170 O O . HOH J . ? 0.4435 0.4764 0.4046 0.1816 0.0408 -0.1500 1392 HOH A O 3171 O O . HOH J . ? 0.2526 0.2052 0.4598 0.0170 0.0213 -0.0750 1393 HOH A O 3172 O O . HOH J . ? 0.3014 0.3635 0.3077 -0.1588 0.0476 -0.0776 1394 HOH A O 3173 O O . HOH J . ? 0.1698 0.2165 0.1514 0.0332 -0.0330 0.0334 1395 HOH A O 3174 O O . HOH J . ? 0.2907 0.2847 0.1445 0.0270 -0.0172 0.0054 1396 HOH A O 3175 O O . HOH J . ? 0.3612 0.4162 0.4398 -0.0846 0.2042 -0.1667 1397 HOH A O 3176 O O . HOH J . ? 0.4338 0.2137 0.2795 0.1027 -0.0460 0.0323 1398 HOH A O 3177 O O . HOH J . ? 0.5712 0.5470 0.5404 -0.1105 0.1519 -0.1192 1399 HOH A O 3178 O O . HOH J . ? 0.5193 0.3572 0.3078 -0.1945 -0.0068 -0.0209 1400 HOH A O 3179 O O . HOH J . ? 0.3711 0.6253 0.3582 -0.0379 0.0478 -0.0627 1401 HOH A O 3180 O O . HOH J . ? 0.5680 0.3787 0.3231 -0.2619 -0.1865 0.0217 1402 HOH A O 3181 O O . HOH J . ? 0.4843 0.1918 0.2451 -0.0127 -0.1128 0.0295 1403 HOH A O 3182 O O . HOH J . ? 0.3840 0.3120 0.2569 -0.0902 0.0228 -0.0025 1405 HOH A O 3183 O O . HOH J . ? 0.2810 0.6126 0.5183 -0.0224 -0.1392 0.1620 1406 HOH A O 3184 O O . HOH J . ? 0.5538 0.6842 0.7728 -0.0057 -0.0153 -0.0115 1407 HOH A O 3185 O O . HOH J . ? 0.4441 0.3348 0.2312 0.0546 -0.1081 -0.0579 1408 HOH A O 3186 O O . HOH J . ? 0.3632 0.4678 0.5048 -0.0155 0.2212 -0.1420 1409 HOH A O 3187 O O . HOH J . ? 0.3626 0.6266 0.6143 -0.0167 0.0593 -0.1602 1410 HOH A O 3188 O O . HOH J . ? 0.5687 0.2832 0.5492 0.0130 0.0915 0.0006 1411 HOH A O 3189 O O . HOH J . ? 0.3231 0.3309 0.3071 0.0844 -0.0227 -0.0077 1412 HOH A O 3190 O O . HOH J . ? 0.2893 0.3135 0.2439 0.0432 -0.0677 -0.0447 1413 HOH A O 3191 O O . HOH J . ? 0.4385 0.2167 0.5376 0.0152 -0.1146 0.0312 1414 HOH A O 3192 O O . HOH J . ? 0.4110 0.3227 0.2813 -0.1054 0.0055 -0.0040 1415 HOH A O 3193 O O . HOH J . ? 0.4163 0.5475 0.5508 0.1858 -0.0783 -0.2012 1416 HOH A O 3194 O O . HOH J . ? 0.5723 0.4259 0.3935 0.2057 0.2345 0.0903 1417 HOH A O 3195 O O . HOH J . ? 0.5699 0.2684 0.4916 0.0950 0.0503 -0.0258 1418 HOH A O 3196 O O . HOH J . ? 0.3535 0.4780 0.3288 -0.1660 -0.0579 0.2216 1419 HOH A O 3197 O O . HOH J . ? 0.3978 0.6376 0.3144 -0.0121 -0.0390 0.1587 1420 HOH A O 3198 O O . HOH J . ? 0.2377 0.2679 0.2187 -0.0380 -0.0690 0.0048 1421 HOH A O 3199 O O . HOH J . ? 0.2750 0.7280 0.4307 0.2128 0.1141 0.3297 1422 HOH A O 3200 O O . HOH J . ? 0.6729 0.3062 0.3102 -0.1729 0.1067 -0.0387 1423 HOH A O 3201 O O . HOH J . ? 0.3965 0.3344 0.4050 0.0316 0.0123 0.0331 1424 HOH A O 3202 O O . HOH J . ? 0.6607 0.9096 0.2425 0.2153 0.2240 0.2220 1425 HOH A O 3203 O O . HOH J . ? 0.1301 0.1852 0.1683 -0.0139 0.0135 -0.0209 1426 HOH A O 3204 O O . HOH J . ? 0.2747 0.2026 0.1217 0.0753 -0.0276 0.0333 1427 HOH A O 3205 O O . HOH J . ? 0.2957 0.2078 0.1456 0.0381 0.0437 0.0076 1428 HOH A O 3206 O O . HOH J . ? 0.1651 0.2338 0.2995 -0.0062 -0.0605 0.0748 1429 HOH A O 3207 O O . HOH J . ? 0.2163 0.3349 0.2415 0.0157 0.0168 0.0426 1430 HOH A O 3208 O O . HOH J . ? 0.3913 0.2287 0.2017 0.0760 0.0375 -0.0064 1431 HOH A O 3209 O O . HOH J . ? 0.2638 0.2121 0.2522 0.0264 0.0289 0.0655 1432 HOH A O 3210 O O . HOH J . ? 0.2737 0.2244 0.2937 0.0598 -0.0267 -0.0253 1434 HOH A O 3211 O O . HOH J . ? 0.1757 0.1840 0.2902 -0.0523 -0.0597 0.0546 1435 HOH A O 3212 O O . HOH J . ? 0.3275 0.2683 0.2147 0.0650 0.0148 0.0533 1436 HOH A O 3213 O O . HOH J . ? 0.3753 0.3398 0.4433 -0.1153 0.2148 -0.0520 1437 HOH A O 3214 O O . HOH J . ? 0.2743 0.3431 0.2245 0.1075 0.0252 0.0327 1438 HOH A O 3215 O O . HOH J . ? 0.3851 0.2915 0.3666 0.1053 -0.0753 0.0280 1439 HOH A O 3216 O O . HOH J . ? 0.3669 0.4292 0.3011 -0.1076 0.0602 0.1502 1440 HOH A O 3217 O O . HOH J . ? 0.2568 0.2927 0.4531 -0.0624 -0.0059 -0.0439 1441 HOH A O 3218 O O . HOH J . ? 0.3712 0.3383 0.2612 0.1028 0.0279 -0.1129 1442 HOH A O 3219 O O . HOH J . ? 0.4471 0.1287 0.2755 0.0332 0.0392 0.0282 1443 HOH A O 3220 O O . HOH J . ? 0.2142 0.2484 0.3303 0.0339 -0.0619 0.0120 1444 HOH A O 3221 O O . HOH J . ? 0.2976 0.3735 0.3944 0.0130 0.0182 0.0028 1445 HOH A O 3222 O O . HOH J . ? 0.3058 0.3229 0.2601 0.0887 0.0185 0.0191 1446 HOH A O 3223 O O . HOH J . ? 0.4826 0.5206 0.2866 0.0096 0.0840 -0.1270 1447 HOH A O 3224 O O . HOH J . ? 0.5572 0.3813 0.2924 0.0299 0.1377 -0.0133 1448 HOH A O 3225 O O . HOH J . ? 0.4135 0.3566 0.2716 0.0584 -0.0178 0.0481 1449 HOH A O 3226 O O . HOH J . ? 0.4700 0.3973 0.3303 0.0685 0.1039 0.1693 1450 HOH A O 3227 O O . HOH J . ? 0.4728 0.4058 0.3762 0.0361 0.0778 -0.0253 1451 HOH A O 3228 O O . HOH J . ? 0.3279 0.5629 0.2246 0.0484 -0.0662 0.0080 1452 HOH A O 3229 O O . HOH J . ? 0.4559 0.4366 0.4379 -0.2509 -0.0881 0.0627 1453 HOH A O 3230 O O . HOH J . ? 0.4214 0.3611 0.6297 0.0358 0.1665 -0.0806 1454 HOH A O 3231 O O . HOH J . ? 0.2457 0.4973 0.5320 -0.1449 0.1382 -0.1448 1455 HOH A O 3232 O O . HOH J . ? 0.3690 0.3408 0.3824 -0.1300 0.0825 -0.1720 1456 HOH A O 3233 O O . HOH J . ? 0.3109 0.3138 0.3127 -0.0950 0.0467 0.0084 1457 HOH A O 3234 O O . HOH J . ? 0.5480 0.2247 0.2512 -0.1526 0.0080 0.0149 1458 HOH A O 3235 O O . HOH J . ? 0.3856 0.6271 0.3258 -0.1648 0.0562 -0.1340 1459 HOH A O 3236 O O . HOH J . ? 0.4743 0.5140 0.3363 -0.0046 0.0380 -0.0286 1460 HOH A O 3237 O O . HOH J . ? 0.5611 0.3081 0.6704 0.0516 -0.0283 -0.1540 1461 HOH A O 3238 O O . HOH J . ? 0.3080 0.4471 0.3980 -0.0453 0.0825 -0.0686 1462 HOH A O 3239 O O . HOH J . ? 0.4687 0.5494 0.5242 -0.0624 -0.2457 -0.2101 1463 HOH A O 3240 O O . HOH J . ? 0.4984 0.3048 0.1970 0.0674 0.0206 0.0636 1464 HOH A O 3241 O O . HOH J . ? 0.1357 0.7363 0.3691 0.0211 -0.0265 -0.2006 1465 HOH A O 3242 O O . HOH J . ? 0.3210 0.2856 0.5082 0.0715 -0.0959 0.0680 1466 HOH A O 3243 O O . HOH J . ? 0.4569 0.2726 0.5793 -0.0348 -0.0398 -0.2322 1467 HOH A O 3244 O O . HOH J . ? 0.9074 0.8046 0.9576 -0.0777 0.1190 0.0802 1468 HOH A O 3245 O O . HOH J . ? 0.2820 0.4535 0.5969 0.0726 0.1016 -0.1363 1469 HOH A O 3246 O O . HOH J . ? 0.9712 1.0336 0.9338 0.0542 -0.0884 0.0168 1470 HOH A O 3247 O O . HOH J . ? 0.8374 0.5959 0.5385 0.0471 -0.1352 0.3429 1471 HOH A O 3248 O O . HOH J . ? 0.5201 0.8367 0.9872 0.3891 -0.0826 0.0185 1472 HOH A O 3249 O O . HOH J . ? 0.4864 0.2899 0.4661 0.0987 -0.0324 0.0058 1473 HOH A O 3250 O O . HOH J . ? 0.2669 0.4417 0.3949 -0.0859 -0.0151 0.0593 1474 HOH A O 3251 O O . HOH J . ? 0.7323 0.4412 0.4250 0.0061 -0.2027 -0.1606 1475 HOH A O 3252 O O . HOH J . ? 0.3851 0.3824 0.3989 0.1248 -0.0356 -0.0605 1476 HOH A O 3253 O O . HOH J . ? 0.2382 0.3587 0.4907 0.1244 0.0388 -0.0138 1477 HOH A O 3254 O O . HOH J . ? 0.4545 0.3140 0.4780 -0.0321 0.1300 0.0396 1478 HOH A O 3255 O O . HOH J . ? 0.4112 0.5733 0.2828 0.0909 -0.0074 -0.0288 1479 HOH A O 3256 O O . HOH J . ? 0.3631 0.4770 0.3337 -0.0469 -0.0344 0.2061 1480 HOH A O 3257 O O . HOH J . ? 0.3411 0.2443 0.6323 0.0209 -0.0387 -0.0467 1481 HOH A O 3258 O O . HOH J . ? 0.6394 0.6467 0.5599 0.0966 -0.0405 0.0126 1482 HOH A O 3259 O O . HOH J . ? 0.6348 0.6225 0.4019 -0.0507 -0.1712 -0.1084 1483 HOH A O 3260 O O . HOH J . ? 0.3307 0.8100 0.8538 -0.1774 0.1037 0.1572 1484 HOH A O 3261 O O . HOH J . ? 0.5025 0.4078 0.4438 0.1611 0.0988 0.1166 1485 HOH A O 3262 O O . HOH J . ? 0.5260 0.5603 0.3320 0.0582 -0.2347 -0.1178 1486 HOH A O 3263 O O . HOH J . ? 0.3768 0.7189 0.3804 -0.0945 -0.0446 0.1615 1487 HOH A O 3264 O O . HOH J . ? 0.3161 0.5091 0.5307 0.2109 0.0785 0.0574 1488 HOH A O 3265 O O . HOH J . ? 0.3007 0.8793 0.4323 0.1581 0.1220 -0.3008 1489 HOH A O 3266 O O . HOH J . ? 0.2406 0.3358 0.7411 0.1211 0.0770 0.1741 1490 HOH A O 3267 O O . HOH J . ? 0.3467 0.1699 0.7082 -0.0212 -0.2585 -0.0353 1491 HOH A O 3268 O O . HOH J . ? 0.4318 0.4924 0.4852 0.0666 0.0255 -0.0201 1492 HOH A O 3269 O O . HOH J . ? 0.5319 0.3826 0.3682 -0.1752 -0.2694 0.1229 1493 HOH A O 3270 O O . HOH J . ? 0.4885 0.2937 0.4009 -0.0035 0.0016 0.0351 1494 HOH A O 3271 O O . HOH J . ? 0.3670 0.3505 0.4881 0.1960 0.0156 0.1538 1495 HOH A O 3272 O O . HOH J . ? 0.3170 0.4536 0.3715 -0.1398 0.0297 -0.0489 1496 HOH A O 3273 O O . HOH J . ? 0.3934 0.3668 0.5227 0.0027 0.0832 -0.0353 1497 HOH A O 3274 O O . HOH J . ? 0.7154 0.5756 0.5051 -0.0691 0.0624 0.1931 1498 HOH A O 3275 O O . HOH J . ? 0.5663 0.3897 0.6062 0.1152 0.0973 0.1021 1499 HOH A O 3276 O O . HOH J . ? 0.6119 0.3727 0.4457 -0.1616 -0.1139 -0.0677 1500 HOH A O 3277 O O . HOH J . ? 0.4246 0.3665 0.4685 0.0194 -0.0086 0.1127 1501 HOH A O 3278 O O . HOH J . ? 0.4350 0.2806 0.4156 0.0044 -0.0087 -0.0614 1502 HOH A O 3279 O O . HOH J . ? 0.3859 0.3418 0.9172 -0.1388 -0.2999 0.2733 1503 HOH A O 3280 O O . HOH J . ? 0.8859 0.6950 0.5108 -0.0427 0.0003 0.2373 1504 HOH A O 3281 O O . HOH J . ? 0.5956 0.6959 0.6399 -0.1948 -0.0584 0.4157 1505 HOH A O 3282 O O . HOH J . ? 0.3833 0.5851 0.6139 -0.0582 0.1754 0.0189 1506 HOH A O 3283 O O . HOH J . ? 0.4543 0.4720 0.3196 -0.1350 -0.0240 -0.1096 1507 HOH A O 3284 O O . HOH J . ? 0.6570 0.3863 0.6481 0.0413 -0.1995 0.1400 1508 HOH A O 3285 O O . HOH J . ? 0.8451 0.7354 0.3810 0.1668 0.2930 0.1089 1509 HOH A O 3286 O O . HOH J . ? 0.3569 0.6051 0.3889 -0.1800 -0.0118 0.0294 1510 HOH A O 3287 O O . HOH J . ? 0.4231 0.4906 0.5317 0.1209 0.1164 -0.2769 1512 HOH A O 3288 O O . HOH J . ? 0.6136 0.4921 0.3977 -0.2629 0.2341 -0.1953 1513 HOH A O 3289 O O . HOH J . ? 0.2882 0.7555 0.6239 -0.0770 -0.1250 0.0094 1514 HOH A O 3290 O O . HOH J . ? 0.2404 0.3992 0.5175 -0.0646 -0.0048 0.1708 1515 HOH A O 3291 O O . HOH J . ? 0.3337 0.2968 0.3951 -0.0598 -0.0889 0.0837 1520 HOH A O 3292 O O . HOH J . ? 0.5274 0.4352 0.6129 -0.0739 0.1045 -0.1275 1521 HOH A O 3293 O O . HOH J . ? 0.4754 0.4690 0.3370 -0.0801 -0.0466 -0.1241 1522 HOH A O 3294 O O . HOH J . ? 0.2623 0.5895 0.5390 -0.0441 0.1042 -0.0598 1524 HOH A O 3295 O O . HOH J . ? 0.5317 0.4505 0.2893 0.1157 0.0543 0.0981 1525 HOH A O 3296 O O . HOH J . ? 0.8081 0.6867 0.4705 0.1455 0.1642 -0.1706 1529 HOH A O 3297 O O . HOH J . ? 0.4428 0.3764 0.3401 -0.0055 0.1169 0.0316 1530 HOH A O 3298 O O . HOH J . ? 0.1114 0.1374 0.1229 -0.0007 -0.0087 -0.0201 1531 HOH A O 3299 O O . HOH J . ? 0.1528 0.2231 0.2185 -0.0215 -0.0351 0.0268 1532 HOH A O 3300 O O . HOH J . ? 0.2649 0.4350 0.2191 0.2264 -0.1074 -0.0764 1533 HOH A O 3301 O O . HOH J . ? 0.2474 0.5604 0.3602 -0.1186 -0.1251 0.2612 1535 HOH A O 3302 O O . HOH J . ? 0.4313 0.4568 0.4881 0.1008 -0.0393 -0.1034 1536 HOH A O 3303 O O . HOH J . ? 0.7231 0.5797 0.5001 -0.1321 -0.1223 0.2709 1538 HOH A O 3304 O O . HOH J . ? 0.4640 0.5925 0.3627 0.0654 0.1173 0.1271 1540 HOH A O 3305 O O . HOH J . ? 0.5761 0.5716 0.2931 0.0422 0.1469 0.0767 1541 HOH A O 3306 O O . HOH J . ? 0.7752 0.3159 0.3272 0.1089 0.1141 -0.0668 1543 HOH A O 3307 O O . HOH J . ? 0.5420 0.5878 0.4643 0.2669 0.3048 0.2341 1545 HOH A O 3308 O O . HOH J . ? 0.9313 0.4091 0.6538 0.2515 -0.0766 0.1473 1547 HOH A O 3309 O O . HOH J . ? 0.1794 0.1236 0.2829 0.0061 0.0725 -0.0391 1551 HOH A O 3310 O O . HOH J . ? 0.3717 0.2587 0.2882 -0.1637 0.0966 -0.0642 1552 HOH A O 3311 O O . HOH J . ? 0.2132 0.4287 0.5743 0.1488 -0.2012 -0.3402 1553 HOH A O 3312 O O . HOH J . ? 0.3870 0.2320 0.2684 0.0421 -0.1463 0.0217 1554 HOH A O 3313 O O . HOH J . ? 0.5906 0.4677 0.3726 0.4174 0.1225 0.1019 1555 HOH A O 3314 O O . HOH J . ? 0.2521 0.5407 0.3006 0.0481 -0.0299 -0.0629 1556 HOH A O 3315 O O . HOH J . ? 0.7358 0.3614 0.2768 -0.3045 -0.0610 0.0083 1557 HOH A O 3316 O O . HOH J . ? 0.5070 0.3631 0.4580 0.2570 0.0540 -0.0146 1558 HOH A O 3317 O O . HOH J . ? 0.3552 0.8385 0.1764 -0.0688 -0.1326 -0.0086 1559 HOH A O 3318 O O . HOH J . ? 0.7940 0.4990 0.4898 0.1267 -0.0965 0.0922 1560 HOH A O 3319 O O . HOH J . ? 0.5010 0.2516 0.6920 -0.0726 -0.3320 0.1214 1561 HOH A O 3320 O O . HOH J . ? 0.6768 0.2991 0.2889 0.2175 0.1130 0.1410 1562 HOH A O 3321 O O . HOH J . ? 0.5200 0.1867 0.4346 -0.0410 0.2804 -0.0335 1563 HOH A O 3322 O O . HOH J . ? 0.8715 0.5976 0.1931 0.2478 0.0445 -0.1519 1564 HOH A O 3323 O O . HOH J . ? 0.7218 0.2643 0.5030 0.2178 -0.1469 -0.0699 1565 HOH A O 3324 O O . HOH J . ? 0.8167 0.6695 0.4599 0.2599 0.1310 -0.1124 1566 HOH A O 3325 O O . HOH J . ? 0.4550 0.5428 0.3513 -0.1379 0.2072 -0.0484 1567 HOH A O 3326 O O . HOH J . ? 0.3293 0.5432 0.6483 0.1148 -0.1761 -0.2906 1568 HOH A O 3327 O O . HOH J . ? 0.5057 0.4389 0.5005 0.1985 0.0082 0.2666 1569 HOH A O 3328 O O . HOH J . ? 0.4944 0.4481 0.7538 0.1876 -0.1685 0.2166 1570 HOH A O 3329 O O . HOH J . ? 0.7061 0.4064 0.2101 -0.1109 -0.1585 -0.0251 1571 HOH A O 3330 O O . HOH J . ? 0.3850 0.4121 0.8377 -0.1208 0.2374 0.1179 1572 HOH A O 3331 O O . HOH J . ? 0.3395 0.6743 0.5795 0.0684 0.0170 -0.2836 1573 HOH A O 3332 O O . HOH J . ? 0.5679 0.6952 0.5280 -0.2079 0.1094 -0.0260 1574 HOH A O 3333 O O . HOH J . ? 0.3301 0.5519 0.4368 0.1530 -0.0365 -0.2056 1575 HOH A O 3334 O O . HOH J . ? 0.7121 0.7684 0.5287 0.1275 0.0008 0.0205 1576 HOH A O 3335 O O . HOH J . ? 0.6829 0.3532 0.5949 -0.2393 -0.2896 0.1239 1577 HOH A O 3336 O O . HOH J . ? 0.5680 0.5598 0.5730 0.0628 -0.0180 0.1936 1578 HOH A O 3337 O O . HOH J . ? 0.4860 0.3488 0.4920 -0.0792 -0.0586 0.1162 1579 HOH A O 3338 O O . HOH J . ? 0.9556 0.5680 0.3720 -0.1280 -0.3209 -0.1021 1580 HOH A O 3339 O O . HOH J . ? 0.4736 0.3403 0.2990 0.1460 0.0079 0.0456 1581 HOH A O 3340 O O . HOH J . ? 0.4114 0.4001 0.5269 -0.0108 0.0523 -0.2910 1582 HOH A O 3341 O O . HOH J . ? 0.5694 0.4990 0.4449 0.0090 -0.1284 -0.0328 1583 HOH A O 3342 O O . HOH J . ? 0.6713 0.8998 0.5097 -0.1208 0.2732 0.0653 1584 HOH A O 3343 O O . HOH J . ? 0.1583 0.1732 0.1204 -0.0096 -0.0147 -0.0039 1585 HOH A O 3344 O O A HOH J . ? 0.2494 0.1408 0.2319 0.0194 -0.0227 0.0646 1586 HOH A O 3345 O O A HOH J . ? 0.1807 0.1408 0.2190 -0.0009 -0.1041 0.0210 1587 HOH A O 3346 O O B HOH J . ? 0.2193 0.1560 0.0998 -0.0579 -0.0332 0.0210 1588 HOH A O 3347 O O B HOH J . ? 0.1748 0.2914 0.2260 -0.0708 -0.0439 -0.0207 1589 HOH A O 3348 O O B HOH J . ? 0.1156 0.1375 0.2035 0.0067 0.0050 0.0040 1590 HOH A O # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ALA 1 1 1 ALA ALA A . n A 1 2 VAL 2 2 2 VAL VAL A . n A 1 3 CYS 3 3 3 CYS CYS A . n A 1 4 PRO 4 4 4 PRO PRO A . n A 1 5 ASP 5 5 5 ASP ASP A . n A 1 6 GLY 6 6 6 GLY GLY A . n A 1 7 THR 7 7 7 THR THR A . n A 1 8 ARG 8 8 8 ARG ARG A . n A 1 9 VAL 9 9 9 VAL VAL A . n A 1 10 SER 10 10 10 SER SER A . n A 1 11 HIS 11 11 11 HIS HIS A . n A 1 12 ALA 12 12 12 ALA ALA A . n A 1 13 ALA 13 13 13 ALA ALA A . n A 1 14 CYS 14 14 14 CYS CYS A . n A 1 15 CYS 15 15 15 CYS CYS A . n A 1 16 ALA 16 16 16 ALA ALA A . n A 1 17 PHE 17 17 17 PHE PHE A . n A 1 18 ILE 18 18 18 ILE ILE A . n A 1 19 PRO 19 19 19 PRO PRO A . n A 1 20 LEU 20 20 20 LEU LEU A . n A 1 21 ALA 21 21 21 ALA ALA A . n A 1 22 GLN 22 22 22 GLN GLN A . n A 1 23 ASP 23 23 23 ASP ASP A . n A 1 24 LEU 24 24 24 LEU LEU A . n A 1 25 GLN 25 25 25 GLN GLN A . n A 1 26 GLU 26 26 26 GLU GLN A . n A 1 27 THR 27 27 27 THR THR A . n A 1 28 ILE 28 28 28 ILE ILE A . n A 1 29 PHE 29 29 29 PHE PHE A . n A 1 30 GLN 30 30 30 GLN GLN A . n A 1 31 ASN 31 31 31 ASN ASN A . n A 1 32 GLU 32 32 32 GLU GLU A . n A 1 33 CYS 33 33 33 CYS CYS A . n A 1 34 GLY 34 34 34 GLY GLY A . n A 1 35 GLU 35 35 35 GLU GLU A . n A 1 36 ASP 36 36 36 ASP ASP A . n A 1 37 ALA 37 37 37 ALA ALA A . n A 1 38 HIS 38 38 38 HIS HIS A . n A 1 39 GLU 39 39 39 GLU GLU A . n A 1 40 VAL 40 40 40 VAL VAL A . n A 1 41 ILE 41 41 41 ILE ILE A . n A 1 42 ARG 42 42 42 ARG ARG A . n A 1 43 LEU 43 43 43 LEU LEU A . n A 1 44 THR 44 44 44 THR THR A . n A 1 45 PHE 45 45 45 PHE PHE A . n A 1 46 HIS 46 46 46 HIS HIS A . n A 1 47 ASP 47 47 47 ASP ASP A . n A 1 48 ALA 48 48 48 ALA ALA A . n A 1 49 ILE 49 49 49 ILE ILE A . n A 1 50 ALA 50 50 50 ALA ALA A . n A 1 51 ILE 51 51 51 ILE ILE A . n A 1 52 SER 52 52 52 SER SER A . n A 1 53 ARG 53 53 53 ARG ARG A . n A 1 54 SER 54 54 54 SER SER A . n A 1 55 GLN 55 55 55 GLN GLN A . n A 1 56 GLY 56 56 56 GLY GLY A . n A 1 57 PRO 57 57 57 PRO PRO A . n A 1 58 LYS 58 58 58 LYS LYS A . n A 1 59 ALA 59 59 59 ALA ALA A . n A 1 60 GLY 60 60 60 GLY GLY A . n A 1 61 GLY 61 61 61 GLY GLY A . n A 1 62 GLY 62 62 62 GLY GLY A . n A 1 63 ALA 63 63 63 ALA ALA A . n A 1 64 ASP 64 64 64 ASP ASP A . n A 1 65 GLY 65 65 65 GLY GLY A . n A 1 66 SER 66 66 66 SER SER A . n A 1 67 MET 67 67 67 MET MET A . n A 1 68 LEU 68 68 68 LEU LEU A . n A 1 69 LEU 69 69 69 LEU LEU A . n A 1 70 PHE 70 70 70 PHE PHE A . n A 1 71 PRO 71 71 71 PRO PRO A . n A 1 72 THR 72 72 72 THR THR A . n A 1 73 VAL 73 73 73 VAL VAL A . n A 1 74 GLU 74 74 74 GLU GLU A . n A 1 75 PRO 75 75 75 PRO PRO A . n A 1 76 ASN 76 76 76 ASN ASN A . n A 1 77 PHE 77 77 77 PHE PHE A . n A 1 78 SER 78 78 78 SER SER A . n A 1 79 ALA 79 79 79 ALA ALA A . n A 1 80 ASN 80 80 80 ASN ASN A . n A 1 81 ASN 81 81 81 ASN ASN A . n A 1 82 GLY 82 82 82 GLY GLY A . n A 1 83 ILE 83 83 83 ILE ILE A . n A 1 84 ASP 84 84 84 ASP ASP A . n A 1 85 ASP 85 85 85 ASP ASP A . n A 1 86 SER 86 86 86 SER SER A . n A 1 87 VAL 87 87 87 VAL VAL A . n A 1 88 ASN 88 88 88 ASN ASN A . n A 1 89 ASN 89 89 89 ASN ASN A . n A 1 90 LEU 90 90 90 LEU LEU A . n A 1 91 ILE 91 91 91 ILE ILE A . n A 1 92 PRO 92 92 92 PRO PRO A . n A 1 93 PHE 93 93 93 PHE PHE A . n A 1 94 MET 94 94 94 MET MET A . n A 1 95 GLN 95 95 95 GLN GLN A . n A 1 96 LYS 96 96 96 LYS LYS A . n A 1 97 HIS 97 97 97 HIS HIS A . n A 1 98 ASN 98 98 98 ASN ASN A . n A 1 99 THR 99 99 99 THR THR A . n A 1 100 ILE 100 100 100 ILE ILE A . n A 1 101 SER 101 101 101 SER SER A . n A 1 102 ALA 102 102 102 ALA ALA A . n A 1 103 ALA 103 103 103 ALA ALA A . n A 1 104 ASP 104 104 104 ASP ASP A . n A 1 105 LEU 105 105 105 LEU LEU A . n A 1 106 VAL 106 106 106 VAL VAL A . n A 1 107 GLN 107 107 107 GLN GLN A . n A 1 108 PHE 108 108 108 PHE PHE A . n A 1 109 ALA 109 109 109 ALA ALA A . n A 1 110 GLY 110 110 110 GLY GLY A . n A 1 111 ALA 111 111 111 ALA ALA A . n A 1 112 VAL 112 112 112 VAL VAL A . n A 1 113 ALA 113 113 113 ALA ALA A . n A 1 114 LEU 114 114 114 LEU LEU A . n A 1 115 SER 115 115 115 SER SER A . n A 1 116 ASN 116 116 116 ASN ASN A . n A 1 117 CYS 117 117 117 CYS CYS A . n A 1 118 PRO 118 118 118 PRO PRO A . n A 1 119 GLY 119 119 119 GLY GLY A . n A 1 120 ALA 120 120 120 ALA ALA A . n A 1 121 PRO 121 121 121 PRO PRO A . n A 1 122 ARG 122 122 122 ARG ARG A . n A 1 123 LEU 123 123 123 LEU LEU A . n A 1 124 GLU 124 124 124 GLU GLU A . n A 1 125 PHE 125 125 125 PHE PHE A . n A 1 126 LEU 126 126 126 LEU LEU A . n A 1 127 ALA 127 127 127 ALA ALA A . n A 1 128 GLY 128 128 128 GLY GLY A . n A 1 129 ARG 129 129 129 ARG ARG A . n A 1 130 PRO 130 130 130 PRO PRO A . n A 1 131 ASN 131 131 131 ASN ASN A . n A 1 132 LYS 132 132 132 LYS LYS A . n A 1 133 THR 133 133 133 THR THR A . n A 1 134 ILE 134 134 134 ILE ILE A . n A 1 135 ALA 135 135 135 ALA ALA A . n A 1 136 ALA 136 136 136 ALA ALA A . n A 1 137 VAL 137 137 137 VAL VAL A . n A 1 138 ASP 138 138 138 ASP ASP A . n A 1 139 GLY 139 139 139 GLY GLY A . n A 1 140 LEU 140 140 140 LEU LEU A . n A 1 141 ILE 141 141 141 ILE ILE A . n A 1 142 PRO 142 142 142 PRO PRO A . n A 1 143 GLU 143 143 143 GLU GLU A . n A 1 144 PRO 144 144 144 PRO PRO A . n A 1 145 GLN 145 145 145 GLN GLN A . n A 1 146 ASP 146 146 146 ASP ASP A . n A 1 147 SER 147 147 147 SER SER A . n A 1 148 VAL 148 148 148 VAL VAL A . n A 1 149 THR 149 149 149 THR THR A . n A 1 150 LYS 150 150 150 LYS LYS A . n A 1 151 ILE 151 151 151 ILE ILE A . n A 1 152 LEU 152 152 152 LEU LEU A . n A 1 153 GLN 153 153 153 GLN GLN A . n A 1 154 ARG 154 154 154 ARG ARG A . n A 1 155 PHE 155 155 155 PHE PHE A . n A 1 156 GLU 156 156 156 GLU GLU A . n A 1 157 ASP 157 157 157 ASP ASP A . n A 1 158 ALA 158 158 158 ALA ALA A . n A 1 159 GLY 159 159 159 GLY GLY A . n A 1 160 GLY 160 160 160 GLY GLY A . n A 1 161 PHE 161 161 161 PHE PHE A . n A 1 162 THR 162 162 162 THR THR A . n A 1 163 PRO 163 163 163 PRO PRO A . n A 1 164 PHE 164 164 164 PHE PHE A . n A 1 165 GLU 165 165 165 GLU GLU A . n A 1 166 VAL 166 166 166 VAL VAL A . n A 1 167 VAL 167 167 167 VAL VAL A . n A 1 168 SER 168 168 168 SER SER A . n A 1 169 LEU 169 169 169 LEU LEU A . n A 1 170 LEU 170 170 170 LEU LEU A . n A 1 171 ALA 171 171 171 ALA ALA A . n A 1 172 SER 172 172 172 SER SER A . n A 1 173 HIS 173 173 173 HIS HIS A . n A 1 174 SER 174 174 174 SER SER A . n A 1 175 VAL 175 175 175 VAL VAL A . n A 1 176 ALA 176 176 176 ALA ALA A . n A 1 177 ARG 177 177 177 ARG ARG A . n A 1 178 ALA 178 178 178 ALA ALA A . n A 1 179 ASP 179 179 179 ASP ASP A . n A 1 180 LYS 180 180 180 LYS LYS A . n A 1 181 VAL 181 181 181 VAL VAL A . n A 1 182 ASP 182 182 182 ASP ASP A . n A 1 183 GLN 183 183 183 GLN GLN A . n A 1 184 THR 184 184 184 THR THR A . n A 1 185 ILE 185 185 185 ILE ILE A . n A 1 186 ASP 186 186 186 ASP ASP A . n A 1 187 ALA 187 187 187 ALA ALA A . n A 1 188 ALA 188 188 188 ALA ALA A . n A 1 189 PRO 189 189 189 PRO PRO A . n A 1 190 PHE 190 190 190 PHE PHE A . n A 1 191 ASP 191 191 191 ASP ASP A . n A 1 192 SER 192 192 192 SER SER A . n A 1 193 THR 193 193 193 THR THR A . n A 1 194 PRO 194 194 194 PRO PRO A . n A 1 195 PHE 195 195 195 PHE PHE A . n A 1 196 THR 196 196 196 THR THR A . n A 1 197 PHE 197 197 197 PHE PHE A . n A 1 198 ASP 198 198 198 ASP ASP A . n A 1 199 THR 199 199 199 THR THR A . n A 1 200 GLN 200 200 200 GLN GLN A . n A 1 201 VAL 201 201 201 VAL VAL A . n A 1 202 PHE 202 202 202 PHE PHE A . n A 1 203 LEU 203 203 203 LEU LEU A . n A 1 204 GLU 204 204 204 GLU GLU A . n A 1 205 VAL 205 205 205 VAL VAL A . n A 1 206 LEU 206 206 206 LEU LEU A . n A 1 207 LEU 207 207 207 LEU LEU A . n A 1 208 LYS 208 208 208 LYS LYS A . n A 1 209 GLY 209 209 209 GLY GLY A . n A 1 210 VAL 210 210 210 VAL VAL A . n A 1 211 GLY 211 211 211 GLY GLY A . n A 1 212 PHE 212 212 212 PHE PHE A . n A 1 213 PRO 213 213 213 PRO PRO A . n A 1 214 GLY 214 214 214 GLY GLY A . n A 1 215 SER 215 215 215 SER SER A . n A 1 216 ALA 216 216 216 ALA ALA A . n A 1 217 ASN 217 217 217 ASN ALA A . n A 1 218 ASN 218 218 218 ASN ASN A . n A 1 219 THR 219 219 219 THR THR A . n A 1 220 GLY 220 220 220 GLY GLY A . n A 1 221 GLU 221 221 221 GLU GLU A . n A 1 222 VAL 222 222 222 VAL VAL A . n A 1 223 ALA 223 223 223 ALA ALA A . n A 1 224 SER 224 224 224 SER SER A . n A 1 225 PRO 225 225 225 PRO PRO A . n A 1 226 LEU 226 226 226 LEU LEU A . n A 1 227 PRO 227 227 227 PRO PRO A . n A 1 228 LEU 228 228 228 LEU LEU A . n A 1 229 GLY 229 229 229 GLY GLY A . n A 1 230 SER 230 230 230 SER SER A . n A 1 231 GLY 231 231 231 GLY GLY A . n A 1 232 SER 232 232 232 SER SER A . n A 1 233 ASP 233 233 233 ASP ASP A . n A 1 234 THR 234 234 234 THR THR A . n A 1 235 GLY 235 235 235 GLY GLY A . n A 1 236 GLU 236 236 236 GLU GLU A . n A 1 237 MET 237 237 237 MET MET A . n A 1 238 ARG 238 238 238 ARG ARG A . n A 1 239 LEU 239 239 239 LEU LEU A . n A 1 240 GLN 240 240 240 GLN GLN A . n A 1 241 SER 241 241 241 SER SER A . n A 1 242 ASP 242 242 242 ASP ASP A . n A 1 243 PHE 243 243 243 PHE PHE A . n A 1 244 ALA 244 244 244 ALA ALA A . n A 1 245 LEU 245 245 245 LEU LEU A . n A 1 246 ALA 246 246 246 ALA ALA A . n A 1 247 HIS 247 247 247 HIS HIS A . n A 1 248 ASP 248 248 248 ASP ASP A . n A 1 249 PRO 249 249 249 PRO PRO A . n A 1 250 ARG 250 250 250 ARG ARG A . n A 1 251 THR 251 251 251 THR THR A . n A 1 252 ALA 252 252 252 ALA ALA A . n A 1 253 CYS 253 253 253 CYS CYS A . n A 1 254 ILE 254 254 254 ILE ILE A . n A 1 255 TRP 255 255 255 TRP TRP A . n A 1 256 GLN 256 256 256 GLN GLN A . n A 1 257 GLY 257 257 257 GLY GLY A . n A 1 258 PHE 258 258 258 PHE PHE A . n A 1 259 VAL 259 259 259 VAL VAL A . n A 1 260 ASN 260 260 260 ASN ASN A . n A 1 261 GLU 261 261 261 GLU GLU A . n A 1 262 GLN 262 262 262 GLN GLN A . n A 1 263 ALA 263 263 263 ALA ALA A . n A 1 264 PHE 264 264 264 PHE PHE A . n A 1 265 MET 265 265 265 MET MET A . n A 1 266 ALA 266 266 266 ALA ALA A . n A 1 267 ALA 267 267 267 ALA ALA A . n A 1 268 SER 268 268 268 SER SER A . n A 1 269 PHE 269 269 269 PHE PHE A . n A 1 270 ARG 270 270 270 ARG ARG A . n A 1 271 ALA 271 271 271 ALA ALA A . n A 1 272 ALA 272 272 272 ALA ALA A . n A 1 273 MET 273 273 273 MET MET A . n A 1 274 SER 274 274 274 SER SER A . n A 1 275 LYS 275 275 275 LYS LYS A . n A 1 276 LEU 276 276 276 LEU LEU A . n A 1 277 ALA 277 277 277 ALA ALA A . n A 1 278 VAL 278 278 278 VAL VAL A . n A 1 279 LEU 279 279 279 LEU LEU A . n A 1 280 GLY 280 280 280 GLY GLY A . n A 1 281 HIS 281 281 281 HIS HIS A . n A 1 282 ASN 282 282 282 ASN ASN A . n A 1 283 ARG 283 283 283 ARG ARG A . n A 1 284 ASN 284 284 284 ASN ASN A . n A 1 285 SER 285 285 285 SER SER A . n A 1 286 LEU 286 286 286 LEU LEU A . n A 1 287 ILE 287 287 287 ILE ILE A . n A 1 288 ASP 288 288 288 ASP ASP A . n A 1 289 CYS 289 289 289 CYS CYS A . n A 1 290 SER 290 290 290 SER SER A . n A 1 291 ASP 291 291 291 ASP ASP A . n A 1 292 VAL 292 292 292 VAL VAL A . n A 1 293 VAL 293 293 293 VAL VAL A . n A 1 294 PRO 294 294 294 PRO PRO A . n A 1 295 VAL 295 295 295 VAL VAL A . n A 1 296 PRO 296 296 296 PRO PRO A . n A 1 297 LYS 297 297 297 LYS LYS A . n A 1 298 PRO 298 298 298 PRO PRO A . n A 1 299 ALA 299 299 299 ALA ALA A . n A 1 300 THR 300 300 300 THR THR A . n A 1 301 GLY 301 301 301 GLY GLY A . n A 1 302 GLN 302 302 302 GLN GLN A . n A 1 303 PRO 303 303 303 PRO PRO A . n A 1 304 ALA 304 304 304 ALA ALA A . n A 1 305 MET 305 305 305 MET MET A . n A 1 306 PHE 306 306 306 PHE PHE A . n A 1 307 PRO 307 307 307 PRO PRO A . n A 1 308 ALA 308 308 308 ALA ALA A . n A 1 309 SER 309 309 309 SER SER A . n A 1 310 THR 310 310 310 THR THR A . n A 1 311 GLY 311 311 311 GLY GLY A . n A 1 312 PRO 312 312 312 PRO PRO A . n A 1 313 GLN 313 313 313 GLN GLN A . n A 1 314 ASP 314 314 314 ASP ASP A . n A 1 315 LEU 315 315 315 LEU LEU A . n A 1 316 GLU 316 316 316 GLU GLU A . n A 1 317 LEU 317 317 317 LEU LEU A . n A 1 318 SER 318 318 318 SER SER A . n A 1 319 CYS 319 319 319 CYS CYS A . n A 1 320 PRO 320 320 320 PRO PRO A . n A 1 321 SER 321 321 321 SER SER A . n A 1 322 GLU 322 322 322 GLU GLU A . n A 1 323 ARG 323 323 323 ARG ARG A . n A 1 324 PHE 324 324 324 PHE PHE A . n A 1 325 PRO 325 325 325 PRO PRO A . n A 1 326 THR 326 326 326 THR THR A . n A 1 327 LEU 327 327 327 LEU LEU A . n A 1 328 THR 328 328 328 THR THR A . n A 1 329 THR 329 329 329 THR THR A . n A 1 330 GLN 330 330 330 GLN GLN A . n A 1 331 PRO 331 331 331 PRO PRO A . n A 1 332 GLY 332 332 332 GLY GLY A . n A 1 333 ALA 333 333 333 ALA ALA A . n A 1 334 SER 334 334 334 SER SER A . n A 1 335 GLN 335 335 335 GLN GLN A . n A 1 336 SER 336 336 336 SER SER A . n A 1 337 LEU 337 337 337 LEU LEU A . n A 1 338 ILE 338 338 338 ILE ILE A . n A 1 339 ALA 339 339 339 ALA ALA A . n A 1 340 HIS 340 340 340 HIS HIS A . n A 1 341 CYS 341 341 341 CYS CYS A . n A 1 342 PRO 342 342 342 PRO PRO A . n A 1 343 ASP 343 343 343 ASP ASP A . n A 1 344 GLY 344 344 344 GLY GLY A . n A 1 345 SER 345 345 345 SER SER A . n A 1 346 MET 346 346 346 MET ALA A . n A 1 347 SER 347 347 347 SER SER A . n A 1 348 CYS 348 348 348 CYS CYS A . n A 1 349 PRO 349 349 349 PRO PRO A . n A 1 350 GLY 350 350 350 GLY GLY A . n A 1 351 VAL 351 351 351 VAL VAL A . n A 1 352 GLN 352 352 352 GLN GLN A . n A 1 353 PHE 353 353 353 PHE PHE A . n A 1 354 ASN 354 354 354 ASN ASN A . n A 1 355 GLY 355 355 355 GLY GLY A . n A 1 356 PRO 356 356 356 PRO PRO A . n A 1 357 ALA 357 357 357 ALA ALA A . 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 B 2 NAG 1 361 361 NAG NAG A . C 2 NAG 2 362 362 NAG NAG A . D 3 MAN 1 364 364 MAN MAN A . E 4 CA 1 371 371 CA CA A . F 4 CA 1 372 372 CA CA A . G 5 GOL 1 391 391 GOL GOL A . H 5 GOL 1 392 392 GOL GOL A . I 6 HEM 1 396 396 HEM HEM A . J 7 HOH 1 1001 1001 HOH HOH A . J 7 HOH 2 1002 1002 HOH HOH A . J 7 HOH 3 1003 1003 HOH HOH A . J 7 HOH 4 1004 1004 HOH HOH A . J 7 HOH 5 1005 1005 HOH HOH A . J 7 HOH 6 1006 1006 HOH HOH A . J 7 HOH 7 1007 1007 HOH HOH A . J 7 HOH 8 1008 1008 HOH HOH A . J 7 HOH 9 1009 1009 HOH HOH A . J 7 HOH 10 1010 1010 HOH HOH A . J 7 HOH 11 1011 1011 HOH HOH A . J 7 HOH 12 1012 1012 HOH HOH A . J 7 HOH 13 1013 1013 HOH HOH A . J 7 HOH 14 1014 1014 HOH HOH A . J 7 HOH 15 1015 1015 HOH HOH A . J 7 HOH 16 1016 1016 HOH HOH A . J 7 HOH 17 1017 1017 HOH HOH A . J 7 HOH 18 1018 1018 HOH HOH A . J 7 HOH 19 1019 1019 HOH HOH A . J 7 HOH 20 1020 1020 HOH HOH A . J 7 HOH 21 1021 1021 HOH HOH A . J 7 HOH 22 1022 1022 HOH HOH A . J 7 HOH 23 1023 1023 HOH HOH A . J 7 HOH 24 1024 1024 HOH HOH A . J 7 HOH 25 1025 1025 HOH HOH A . J 7 HOH 26 1026 1026 HOH HOH A . J 7 HOH 27 1027 1027 HOH HOH A . J 7 HOH 28 1028 1028 HOH HOH A . J 7 HOH 29 1029 1029 HOH HOH A . J 7 HOH 30 1030 1030 HOH HOH A . J 7 HOH 31 1031 1031 HOH HOH A . J 7 HOH 32 1032 1032 HOH HOH A . J 7 HOH 33 1033 1033 HOH HOH A . J 7 HOH 34 1034 1034 HOH HOH A . J 7 HOH 35 1035 1035 HOH HOH A . J 7 HOH 36 1036 1036 HOH HOH A . J 7 HOH 37 1037 1037 HOH HOH A . J 7 HOH 38 1038 1038 HOH HOH A . J 7 HOH 39 1039 1039 HOH HOH A . J 7 HOH 40 1040 1040 HOH HOH A . J 7 HOH 41 1041 1041 HOH HOH A . J 7 HOH 42 1042 1042 HOH HOH A . J 7 HOH 43 1043 1043 HOH HOH A . J 7 HOH 44 1044 1044 HOH HOH A . J 7 HOH 45 1045 1045 HOH HOH A . J 7 HOH 46 1046 1046 HOH HOH A . J 7 HOH 47 1047 1047 HOH HOH A . J 7 HOH 48 1048 1048 HOH HOH A . J 7 HOH 49 1049 1049 HOH HOH A . J 7 HOH 50 1050 1050 HOH HOH A . J 7 HOH 51 1051 1051 HOH HOH A . J 7 HOH 52 1052 1052 HOH HOH A . J 7 HOH 53 1053 1053 HOH HOH A . J 7 HOH 54 1054 1054 HOH HOH A . J 7 HOH 55 1055 1055 HOH HOH A . J 7 HOH 56 1056 1056 HOH HOH A . J 7 HOH 57 1057 1057 HOH HOH A . J 7 HOH 58 1058 1058 HOH HOH A . J 7 HOH 59 1059 1059 HOH HOH A . J 7 HOH 60 1060 1060 HOH HOH A . J 7 HOH 61 1061 1061 HOH HOH A . J 7 HOH 62 1062 1062 HOH HOH A . J 7 HOH 63 1063 1063 HOH HOH A . J 7 HOH 64 1064 1064 HOH HOH A . J 7 HOH 65 1065 1065 HOH HOH A . J 7 HOH 66 1066 1066 HOH HOH A . J 7 HOH 67 1067 1067 HOH HOH A . J 7 HOH 68 1068 1068 HOH HOH A . J 7 HOH 69 1069 1069 HOH HOH A . J 7 HOH 70 1070 1070 HOH HOH A . J 7 HOH 71 1071 1071 HOH HOH A . J 7 HOH 72 1072 1072 HOH HOH A . J 7 HOH 73 1073 1073 HOH HOH A . J 7 HOH 74 1074 1074 HOH HOH A . J 7 HOH 75 1075 1075 HOH HOH A . J 7 HOH 76 1076 1076 HOH HOH A . J 7 HOH 77 1077 1077 HOH HOH A . J 7 HOH 78 1078 1078 HOH HOH A . J 7 HOH 79 1079 1079 HOH HOH A . J 7 HOH 80 1080 1080 HOH HOH A . J 7 HOH 81 1081 1081 HOH HOH A . J 7 HOH 82 1082 1082 HOH HOH A . J 7 HOH 83 1083 1083 HOH HOH A . J 7 HOH 84 1084 1084 HOH HOH A . J 7 HOH 85 1085 1085 HOH HOH A . J 7 HOH 86 1086 1086 HOH HOH A . J 7 HOH 87 1087 1087 HOH HOH A . J 7 HOH 88 1088 1088 HOH HOH A . J 7 HOH 89 1089 1089 HOH HOH A . J 7 HOH 90 1090 1090 HOH HOH A . J 7 HOH 91 1091 1091 HOH HOH A . J 7 HOH 92 1092 1092 HOH HOH A . J 7 HOH 93 1093 1093 HOH HOH A . J 7 HOH 94 1094 1094 HOH HOH A . J 7 HOH 95 1095 1095 HOH HOH A . J 7 HOH 96 1096 1096 HOH HOH A . J 7 HOH 97 1097 1097 HOH HOH A . J 7 HOH 98 1098 1098 HOH HOH A . J 7 HOH 99 1099 1099 HOH HOH A . J 7 HOH 100 1100 1100 HOH HOH A . J 7 HOH 101 1101 1101 HOH HOH A . J 7 HOH 102 1102 1102 HOH HOH A . J 7 HOH 103 1103 1103 HOH HOH A . J 7 HOH 104 1104 1104 HOH HOH A . J 7 HOH 105 1105 1105 HOH HOH A . J 7 HOH 106 1106 1106 HOH HOH A . J 7 HOH 107 1107 1107 HOH HOH A . J 7 HOH 108 1108 1108 HOH HOH A . J 7 HOH 109 1109 1109 HOH HOH A . J 7 HOH 110 1110 1110 HOH HOH A . J 7 HOH 111 1111 1111 HOH HOH A . J 7 HOH 112 1112 1112 HOH HOH A . J 7 HOH 113 1113 1113 HOH HOH A . J 7 HOH 114 1114 1114 HOH HOH A . J 7 HOH 115 1115 1115 HOH HOH A . J 7 HOH 116 1116 1116 HOH HOH A . J 7 HOH 117 1117 1117 HOH HOH A . J 7 HOH 118 1118 1118 HOH HOH A . J 7 HOH 119 1119 1119 HOH HOH A . J 7 HOH 120 1120 1120 HOH HOH A . J 7 HOH 121 1121 1121 HOH HOH A . J 7 HOH 122 1122 1122 HOH HOH A . J 7 HOH 123 1123 1123 HOH HOH A . J 7 HOH 124 1124 1124 HOH HOH A . J 7 HOH 125 1125 1125 HOH HOH A . J 7 HOH 126 1126 1126 HOH HOH A . J 7 HOH 127 1127 1127 HOH HOH A . J 7 HOH 128 1128 1128 HOH HOH A . J 7 HOH 129 1129 1129 HOH HOH A . J 7 HOH 130 1130 1130 HOH HOH A . J 7 HOH 131 1131 1131 HOH HOH A . J 7 HOH 132 1132 1132 HOH HOH A . J 7 HOH 133 1133 1133 HOH HOH A . J 7 HOH 134 1134 1134 HOH HOH A . J 7 HOH 135 1135 1135 HOH HOH A . J 7 HOH 136 1136 1136 HOH HOH A . J 7 HOH 137 1137 1137 HOH HOH A . J 7 HOH 138 1138 1138 HOH HOH A . J 7 HOH 139 1139 1139 HOH HOH A . J 7 HOH 140 1140 1140 HOH HOH A . J 7 HOH 141 1141 1141 HOH HOH A . J 7 HOH 142 1142 1142 HOH HOH A . J 7 HOH 143 1143 1143 HOH HOH A . J 7 HOH 144 1144 1144 HOH HOH A . J 7 HOH 145 1145 1145 HOH HOH A . J 7 HOH 146 1146 1146 HOH HOH A . J 7 HOH 147 1147 1147 HOH HOH A . J 7 HOH 148 1148 1148 HOH HOH A . J 7 HOH 149 1149 1149 HOH HOH A . J 7 HOH 150 1150 1150 HOH HOH A . J 7 HOH 151 1151 1151 HOH HOH A . J 7 HOH 152 1152 1152 HOH HOH A . J 7 HOH 153 1153 1153 HOH HOH A . J 7 HOH 154 1154 1154 HOH HOH A . J 7 HOH 155 1155 1155 HOH HOH A . J 7 HOH 156 1156 1156 HOH HOH A . J 7 HOH 157 1157 1157 HOH HOH A . J 7 HOH 158 1158 1158 HOH HOH A . J 7 HOH 159 1159 1159 HOH HOH A . J 7 HOH 160 1160 1160 HOH HOH A . J 7 HOH 161 1161 1161 HOH HOH A . J 7 HOH 162 1162 1162 HOH HOH A . J 7 HOH 163 1163 1163 HOH HOH A . J 7 HOH 164 1164 1164 HOH HOH A . J 7 HOH 165 1165 1165 HOH HOH A . J 7 HOH 166 1166 1166 HOH HOH A . J 7 HOH 167 1167 1167 HOH HOH A . J 7 HOH 168 1168 1168 HOH HOH A . J 7 HOH 169 1169 1169 HOH HOH A . J 7 HOH 170 1170 1170 HOH HOH A . J 7 HOH 171 1171 1171 HOH HOH A . J 7 HOH 172 1172 1172 HOH HOH A . J 7 HOH 173 1173 1173 HOH HOH A . J 7 HOH 174 1174 1174 HOH HOH A . J 7 HOH 175 1175 1175 HOH HOH A . J 7 HOH 176 1176 1176 HOH HOH A . J 7 HOH 177 1177 1177 HOH HOH A . J 7 HOH 178 1178 1178 HOH HOH A . J 7 HOH 179 1179 1179 HOH HOH A . J 7 HOH 180 1180 1180 HOH HOH A . J 7 HOH 181 1181 1181 HOH HOH A . J 7 HOH 182 1182 1182 HOH HOH A . J 7 HOH 183 1183 1183 HOH HOH A . J 7 HOH 184 1184 1184 HOH HOH A . J 7 HOH 185 1185 1185 HOH HOH A . J 7 HOH 186 1186 1186 HOH HOH A . J 7 HOH 187 1187 1187 HOH HOH A . J 7 HOH 188 1188 1188 HOH HOH A . J 7 HOH 189 1189 1189 HOH HOH A . J 7 HOH 190 1190 1190 HOH HOH A . J 7 HOH 191 1191 1191 HOH HOH A . J 7 HOH 192 1192 1192 HOH HOH A . J 7 HOH 193 1193 1193 HOH HOH A . J 7 HOH 194 1194 1194 HOH HOH A . J 7 HOH 195 1195 1195 HOH HOH A . J 7 HOH 196 1196 1196 HOH HOH A . J 7 HOH 197 1197 1197 HOH HOH A . J 7 HOH 198 1198 1198 HOH HOH A . J 7 HOH 199 1199 1199 HOH HOH A . J 7 HOH 200 1200 1200 HOH HOH A . J 7 HOH 201 1201 1201 HOH HOH A . J 7 HOH 202 1202 1202 HOH HOH A . J 7 HOH 203 1204 1204 HOH HOH A . J 7 HOH 204 1205 1205 HOH HOH A . J 7 HOH 205 1206 1206 HOH HOH A . J 7 HOH 206 1207 1207 HOH HOH A . J 7 HOH 207 1208 1208 HOH HOH A . J 7 HOH 208 1209 1209 HOH HOH A . J 7 HOH 209 1210 1210 HOH HOH A . J 7 HOH 210 1211 1211 HOH HOH A . J 7 HOH 211 1212 1212 HOH HOH A . J 7 HOH 212 1213 1213 HOH HOH A . J 7 HOH 213 1214 1214 HOH HOH A . J 7 HOH 214 1215 1215 HOH HOH A . J 7 HOH 215 1216 1216 HOH HOH A . J 7 HOH 216 1217 1217 HOH HOH A . J 7 HOH 217 1218 1218 HOH HOH A . J 7 HOH 218 1219 1219 HOH HOH A . J 7 HOH 219 1220 1220 HOH HOH A . J 7 HOH 220 1221 1221 HOH HOH A . J 7 HOH 221 1222 1222 HOH HOH A . J 7 HOH 222 1223 1223 HOH HOH A . J 7 HOH 223 1224 1224 HOH HOH A . J 7 HOH 224 1225 1225 HOH HOH A . J 7 HOH 225 1226 1226 HOH HOH A . J 7 HOH 226 1227 1227 HOH HOH A . J 7 HOH 227 1228 1228 HOH HOH A . J 7 HOH 228 1229 1229 HOH HOH A . J 7 HOH 229 1230 1230 HOH HOH A . J 7 HOH 230 1231 1231 HOH HOH A . J 7 HOH 231 1232 1232 HOH HOH A . J 7 HOH 232 1233 1233 HOH HOH A . J 7 HOH 233 1234 1234 HOH HOH A . J 7 HOH 234 1235 1235 HOH HOH A . J 7 HOH 235 1236 1236 HOH HOH A . J 7 HOH 236 1237 1237 HOH HOH A . J 7 HOH 237 1238 1238 HOH HOH A . J 7 HOH 238 1239 1239 HOH HOH A . J 7 HOH 239 1240 1240 HOH HOH A . J 7 HOH 240 1241 1241 HOH HOH A . J 7 HOH 241 1242 1242 HOH HOH A . J 7 HOH 242 1243 1243 HOH HOH A . J 7 HOH 243 1244 1244 HOH HOH A . J 7 HOH 244 1245 1245 HOH HOH A . J 7 HOH 245 1246 1246 HOH HOH A . J 7 HOH 246 1247 1247 HOH HOH A . J 7 HOH 247 1248 1248 HOH HOH A . J 7 HOH 248 1249 1249 HOH HOH A . J 7 HOH 249 1250 1250 HOH HOH A . J 7 HOH 250 1251 1251 HOH HOH A . J 7 HOH 251 1252 1252 HOH HOH A . J 7 HOH 252 1254 1254 HOH HOH A . J 7 HOH 253 1255 1255 HOH HOH A . J 7 HOH 254 1256 1256 HOH HOH A . J 7 HOH 255 1257 1257 HOH HOH A . J 7 HOH 256 1258 1258 HOH HOH A . J 7 HOH 257 1259 1259 HOH HOH A . J 7 HOH 258 1261 1261 HOH HOH A . J 7 HOH 259 1262 1262 HOH HOH A . J 7 HOH 260 1263 1263 HOH HOH A . J 7 HOH 261 1264 1264 HOH HOH A . J 7 HOH 262 1265 1265 HOH HOH A . J 7 HOH 263 1266 1266 HOH HOH A . J 7 HOH 264 1267 1267 HOH HOH A . J 7 HOH 265 1268 1268 HOH HOH A . J 7 HOH 266 1269 1269 HOH HOH A . J 7 HOH 267 1270 1270 HOH HOH A . J 7 HOH 268 1271 1271 HOH HOH A . J 7 HOH 269 1272 1272 HOH HOH A . J 7 HOH 270 1273 1273 HOH HOH A . J 7 HOH 271 1274 1274 HOH HOH A . J 7 HOH 272 1275 1275 HOH HOH A . J 7 HOH 273 1276 1276 HOH HOH A . J 7 HOH 274 1277 1277 HOH HOH A . J 7 HOH 275 1278 1278 HOH HOH A . J 7 HOH 276 1279 1279 HOH HOH A . J 7 HOH 277 1280 1280 HOH HOH A . J 7 HOH 278 1281 1281 HOH HOH A . J 7 HOH 279 1282 1282 HOH HOH A . J 7 HOH 280 1283 1283 HOH HOH A . J 7 HOH 281 1284 1284 HOH HOH A . J 7 HOH 282 1285 1285 HOH HOH A . J 7 HOH 283 1286 1286 HOH HOH A . J 7 HOH 284 1287 1287 HOH HOH A . J 7 HOH 285 1288 1288 HOH HOH A . J 7 HOH 286 1289 1289 HOH HOH A . J 7 HOH 287 1290 1290 HOH HOH A . J 7 HOH 288 1291 1291 HOH HOH A . J 7 HOH 289 1292 1292 HOH HOH A . J 7 HOH 290 1293 1293 HOH HOH A . J 7 HOH 291 1294 1294 HOH HOH A . J 7 HOH 292 1295 1295 HOH HOH A . J 7 HOH 293 1296 1296 HOH HOH A . J 7 HOH 294 1297 1297 HOH HOH A . J 7 HOH 295 1298 1298 HOH HOH A . J 7 HOH 296 1299 1299 HOH HOH A . J 7 HOH 297 1300 1300 HOH HOH A . J 7 HOH 298 1301 1301 HOH HOH A . J 7 HOH 299 1302 1302 HOH HOH A . J 7 HOH 300 1303 1303 HOH HOH A . J 7 HOH 301 1304 1304 HOH HOH A . J 7 HOH 302 1305 1305 HOH HOH A . J 7 HOH 303 1306 1306 HOH HOH A . J 7 HOH 304 1307 1307 HOH HOH A . J 7 HOH 305 1308 1308 HOH HOH A . J 7 HOH 306 1309 1309 HOH HOH A . J 7 HOH 307 1310 1310 HOH HOH A . J 7 HOH 308 1311 1311 HOH HOH A . J 7 HOH 309 1312 1312 HOH HOH A . J 7 HOH 310 1313 1313 HOH HOH A . J 7 HOH 311 1314 1314 HOH HOH A . J 7 HOH 312 1315 1315 HOH HOH A . J 7 HOH 313 1316 1316 HOH HOH A . J 7 HOH 314 1318 1318 HOH HOH A . J 7 HOH 315 1319 1319 HOH HOH A . J 7 HOH 316 1320 1320 HOH HOH A . J 7 HOH 317 1321 1321 HOH HOH A . J 7 HOH 318 1322 1322 HOH HOH A . J 7 HOH 319 1323 1323 HOH HOH A . J 7 HOH 320 1324 1324 HOH HOH A . J 7 HOH 321 1325 1325 HOH HOH A . J 7 HOH 322 1327 1327 HOH HOH A . J 7 HOH 323 1328 1328 HOH HOH A . J 7 HOH 324 1330 1330 HOH HOH A . J 7 HOH 325 1331 1331 HOH HOH A . J 7 HOH 326 1332 1332 HOH HOH A . J 7 HOH 327 1333 1333 HOH HOH A . J 7 HOH 328 1334 1334 HOH HOH A . J 7 HOH 329 1335 1335 HOH HOH A . J 7 HOH 330 1337 1337 HOH HOH A . J 7 HOH 331 1338 1338 HOH HOH A . J 7 HOH 332 1339 1339 HOH HOH A . J 7 HOH 333 1340 1340 HOH HOH A . J 7 HOH 334 1341 1341 HOH HOH A . J 7 HOH 335 1342 1342 HOH HOH A . J 7 HOH 336 1343 1343 HOH HOH A . J 7 HOH 337 1344 1344 HOH HOH A . J 7 HOH 338 1345 1345 HOH HOH A . J 7 HOH 339 1346 1346 HOH HOH A . J 7 HOH 340 1347 1347 HOH HOH A . J 7 HOH 341 1348 1348 HOH HOH A . J 7 HOH 342 1349 1349 HOH HOH A . J 7 HOH 343 1350 1350 HOH HOH A . J 7 HOH 344 1351 1351 HOH HOH A . J 7 HOH 345 1352 1352 HOH HOH A . J 7 HOH 346 1353 1353 HOH HOH A . J 7 HOH 347 1354 1354 HOH HOH A . J 7 HOH 348 1355 1355 HOH HOH A . J 7 HOH 349 1356 1356 HOH HOH A . J 7 HOH 350 1357 1357 HOH HOH A . J 7 HOH 351 1358 1358 HOH HOH A . J 7 HOH 352 1359 1359 HOH HOH A . J 7 HOH 353 1360 1360 HOH HOH A . J 7 HOH 354 1362 1362 HOH HOH A . J 7 HOH 355 1363 1363 HOH HOH A . J 7 HOH 356 1364 1364 HOH HOH A . J 7 HOH 357 1365 1365 HOH HOH A . J 7 HOH 358 1366 1366 HOH HOH A . J 7 HOH 359 1367 1367 HOH HOH A . J 7 HOH 360 1368 1368 HOH HOH A . J 7 HOH 361 1369 1369 HOH HOH A . J 7 HOH 362 1370 1370 HOH HOH A . J 7 HOH 363 1371 1371 HOH HOH A . J 7 HOH 364 1372 1372 HOH HOH A . J 7 HOH 365 1373 1373 HOH HOH A . J 7 HOH 366 1374 1374 HOH HOH A . J 7 HOH 367 1375 1375 HOH HOH A . J 7 HOH 368 1376 1376 HOH HOH A . J 7 HOH 369 1378 1378 HOH HOH A . J 7 HOH 370 1379 1379 HOH HOH A . J 7 HOH 371 1380 1380 HOH HOH A . J 7 HOH 372 1381 1381 HOH HOH A . J 7 HOH 373 1382 1382 HOH HOH A . J 7 HOH 374 1383 1383 HOH HOH A . J 7 HOH 375 1384 1384 HOH HOH A . J 7 HOH 376 1385 1385 HOH HOH A . J 7 HOH 377 1386 1386 HOH HOH A . J 7 HOH 378 1387 1387 HOH HOH A . J 7 HOH 379 1388 1388 HOH HOH A . J 7 HOH 380 1389 1389 HOH HOH A . J 7 HOH 381 1390 1390 HOH HOH A . J 7 HOH 382 1391 1391 HOH HOH A . J 7 HOH 383 1392 1392 HOH HOH A . J 7 HOH 384 1393 1393 HOH HOH A . J 7 HOH 385 1394 1394 HOH HOH A . J 7 HOH 386 1395 1395 HOH HOH A . J 7 HOH 387 1396 1396 HOH HOH A . J 7 HOH 388 1397 1397 HOH HOH A . J 7 HOH 389 1398 1398 HOH HOH A . J 7 HOH 390 1399 1399 HOH HOH A . J 7 HOH 391 1400 1400 HOH HOH A . J 7 HOH 392 1401 1401 HOH HOH A . J 7 HOH 393 1402 1402 HOH HOH A . J 7 HOH 394 1403 1403 HOH HOH A . J 7 HOH 395 1405 1405 HOH HOH A . J 7 HOH 396 1406 1406 HOH HOH A . J 7 HOH 397 1407 1407 HOH HOH A . J 7 HOH 398 1408 1408 HOH HOH A . J 7 HOH 399 1409 1409 HOH HOH A . J 7 HOH 400 1410 1410 HOH HOH A . J 7 HOH 401 1411 1411 HOH HOH A . J 7 HOH 402 1412 1412 HOH HOH A . J 7 HOH 403 1413 1413 HOH HOH A . J 7 HOH 404 1414 1414 HOH HOH A . J 7 HOH 405 1415 1415 HOH HOH A . J 7 HOH 406 1416 1416 HOH HOH A . J 7 HOH 407 1417 1417 HOH HOH A . J 7 HOH 408 1418 1418 HOH HOH A . J 7 HOH 409 1419 1419 HOH HOH A . J 7 HOH 410 1420 1420 HOH HOH A . J 7 HOH 411 1421 1421 HOH HOH A . J 7 HOH 412 1422 1422 HOH HOH A . J 7 HOH 413 1423 1423 HOH HOH A . J 7 HOH 414 1424 1424 HOH HOH A . J 7 HOH 415 1425 1425 HOH HOH A . J 7 HOH 416 1426 1426 HOH HOH A . J 7 HOH 417 1427 1427 HOH HOH A . J 7 HOH 418 1428 1428 HOH HOH A . J 7 HOH 419 1429 1429 HOH HOH A . J 7 HOH 420 1430 1430 HOH HOH A . J 7 HOH 421 1431 1431 HOH HOH A . J 7 HOH 422 1432 1432 HOH HOH A . J 7 HOH 423 1434 1434 HOH HOH A . J 7 HOH 424 1435 1435 HOH HOH A . J 7 HOH 425 1436 1436 HOH HOH A . J 7 HOH 426 1437 1437 HOH HOH A . J 7 HOH 427 1438 1438 HOH HOH A . J 7 HOH 428 1439 1439 HOH HOH A . J 7 HOH 429 1440 1440 HOH HOH A . J 7 HOH 430 1441 1441 HOH HOH A . J 7 HOH 431 1442 1442 HOH HOH A . J 7 HOH 432 1443 1443 HOH HOH A . J 7 HOH 433 1444 1444 HOH HOH A . J 7 HOH 434 1445 1445 HOH HOH A . J 7 HOH 435 1446 1446 HOH HOH A . J 7 HOH 436 1447 1447 HOH HOH A . J 7 HOH 437 1448 1448 HOH HOH A . J 7 HOH 438 1449 1449 HOH HOH A . J 7 HOH 439 1450 1450 HOH HOH A . J 7 HOH 440 1451 1451 HOH HOH A . J 7 HOH 441 1452 1452 HOH HOH A . J 7 HOH 442 1453 1453 HOH HOH A . J 7 HOH 443 1454 1454 HOH HOH A . J 7 HOH 444 1455 1455 HOH HOH A . J 7 HOH 445 1456 1456 HOH HOH A . J 7 HOH 446 1457 1457 HOH HOH A . J 7 HOH 447 1458 1458 HOH HOH A . J 7 HOH 448 1459 1459 HOH HOH A . J 7 HOH 449 1460 1460 HOH HOH A . J 7 HOH 450 1461 1461 HOH HOH A . J 7 HOH 451 1462 1462 HOH HOH A . J 7 HOH 452 1463 1463 HOH HOH A . J 7 HOH 453 1464 1464 HOH HOH A . J 7 HOH 454 1465 1465 HOH HOH A . J 7 HOH 455 1466 1466 HOH HOH A . J 7 HOH 456 1467 1467 HOH HOH A . J 7 HOH 457 1468 1468 HOH HOH A . J 7 HOH 458 1469 1469 HOH HOH A . J 7 HOH 459 1470 1470 HOH HOH A . J 7 HOH 460 1471 1471 HOH HOH A . J 7 HOH 461 1472 1472 HOH HOH A . J 7 HOH 462 1473 1473 HOH HOH A . J 7 HOH 463 1474 1474 HOH HOH A . J 7 HOH 464 1475 1475 HOH HOH A . J 7 HOH 465 1476 1476 HOH HOH A . J 7 HOH 466 1477 1477 HOH HOH A . J 7 HOH 467 1478 1478 HOH HOH A . J 7 HOH 468 1479 1479 HOH HOH A . J 7 HOH 469 1480 1480 HOH HOH A . J 7 HOH 470 1481 1481 HOH HOH A . J 7 HOH 471 1482 1482 HOH HOH A . J 7 HOH 472 1483 1483 HOH HOH A . J 7 HOH 473 1484 1484 HOH HOH A . J 7 HOH 474 1485 1485 HOH HOH A . J 7 HOH 475 1486 1486 HOH HOH A . J 7 HOH 476 1487 1487 HOH HOH A . J 7 HOH 477 1488 1488 HOH HOH A . J 7 HOH 478 1489 1489 HOH HOH A . J 7 HOH 479 1490 1490 HOH HOH A . J 7 HOH 480 1491 1491 HOH HOH A . J 7 HOH 481 1492 1492 HOH HOH A . J 7 HOH 482 1493 1493 HOH HOH A . J 7 HOH 483 1494 1494 HOH HOH A . J 7 HOH 484 1495 1495 HOH HOH A . J 7 HOH 485 1496 1496 HOH HOH A . J 7 HOH 486 1497 1497 HOH HOH A . J 7 HOH 487 1498 1498 HOH HOH A . J 7 HOH 488 1499 1499 HOH HOH A . J 7 HOH 489 1500 1500 HOH HOH A . J 7 HOH 490 1501 1501 HOH HOH A . J 7 HOH 491 1502 1502 HOH HOH A . J 7 HOH 492 1503 1503 HOH HOH A . J 7 HOH 493 1504 1504 HOH HOH A . J 7 HOH 494 1505 1505 HOH HOH A . J 7 HOH 495 1506 1506 HOH HOH A . J 7 HOH 496 1507 1507 HOH HOH A . J 7 HOH 497 1508 1508 HOH HOH A . J 7 HOH 498 1509 1509 HOH HOH A . J 7 HOH 499 1510 1510 HOH HOH A . J 7 HOH 500 1512 1512 HOH HOH A . J 7 HOH 501 1513 1513 HOH HOH A . J 7 HOH 502 1514 1514 HOH HOH A . J 7 HOH 503 1515 1515 HOH HOH A . J 7 HOH 504 1520 1520 HOH HOH A . J 7 HOH 505 1521 1521 HOH HOH A . J 7 HOH 506 1522 1522 HOH HOH A . J 7 HOH 507 1524 1524 HOH HOH A . J 7 HOH 508 1525 1525 HOH HOH A . J 7 HOH 509 1529 1529 HOH HOH A . J 7 HOH 510 1530 1530 HOH HOH A . J 7 HOH 511 1531 1531 HOH HOH A . J 7 HOH 512 1532 1532 HOH HOH A . J 7 HOH 513 1533 1533 HOH HOH A . J 7 HOH 514 1535 1535 HOH HOH A . J 7 HOH 515 1536 1536 HOH HOH A . J 7 HOH 516 1538 1538 HOH HOH A . J 7 HOH 517 1540 1540 HOH HOH A . J 7 HOH 518 1541 1541 HOH HOH A . J 7 HOH 519 1543 1543 HOH HOH A . J 7 HOH 520 1545 1545 HOH HOH A . J 7 HOH 521 1547 1547 HOH HOH A . J 7 HOH 522 1551 1551 HOH HOH A . J 7 HOH 523 1552 1552 HOH HOH A . J 7 HOH 524 1553 1553 HOH HOH A . J 7 HOH 525 1554 1554 HOH HOH A . J 7 HOH 526 1555 1555 HOH HOH A . J 7 HOH 527 1556 1556 HOH HOH A . J 7 HOH 528 1557 1557 HOH HOH A . J 7 HOH 529 1558 1558 HOH HOH A . J 7 HOH 530 1559 1559 HOH HOH A . J 7 HOH 531 1560 1560 HOH HOH A . J 7 HOH 532 1561 1561 HOH HOH A . J 7 HOH 533 1562 1562 HOH HOH A . J 7 HOH 534 1563 1563 HOH HOH A . J 7 HOH 535 1564 1564 HOH HOH A . J 7 HOH 536 1565 1565 HOH HOH A . J 7 HOH 537 1566 1566 HOH HOH A . J 7 HOH 538 1567 1567 HOH HOH A . J 7 HOH 539 1568 1568 HOH HOH A . J 7 HOH 540 1569 1569 HOH HOH A . J 7 HOH 541 1570 1570 HOH HOH A . J 7 HOH 542 1571 1571 HOH HOH A . J 7 HOH 543 1572 1572 HOH HOH A . J 7 HOH 544 1573 1573 HOH HOH A . J 7 HOH 545 1574 1574 HOH HOH A . J 7 HOH 546 1575 1575 HOH HOH A . J 7 HOH 547 1576 1576 HOH HOH A . J 7 HOH 548 1577 1577 HOH HOH A . J 7 HOH 549 1578 1578 HOH HOH A . J 7 HOH 550 1579 1579 HOH HOH A . J 7 HOH 551 1580 1580 HOH HOH A . J 7 HOH 552 1581 1581 HOH HOH A . J 7 HOH 553 1582 1582 HOH HOH A . J 7 HOH 554 1583 1583 HOH HOH A . J 7 HOH 555 1584 1584 HOH HOH A . J 7 HOH 556 1585 1585 HOH HOH A . J 7 HOH 557 1586 1586 HOH HOH A . J 7 HOH 558 1587 1587 HOH HOH A . J 7 HOH 559 1588 1588 HOH HOH A . J 7 HOH 560 1589 1589 HOH HOH A . J 7 HOH 561 1590 1590 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 131 A ASN 131 ? ASN 'GLYCOSYLATION SITE' 2 A SER 336 A SER 336 ? SER 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 NE2 ? A HIS 173 ? A HIS 173 ? 1_555 FE ? I HEM . ? A HEM 396 ? 1_555 NA ? I HEM . ? A HEM 396 ? 1_555 96.6 ? 2 NE2 ? A HIS 173 ? A HIS 173 ? 1_555 FE ? I HEM . ? A HEM 396 ? 1_555 NB ? I HEM . ? A HEM 396 ? 1_555 92.8 ? 3 NA ? I HEM . ? A HEM 396 ? 1_555 FE ? I HEM . ? A HEM 396 ? 1_555 NB ? I HEM . ? A HEM 396 ? 1_555 89.6 ? 4 NE2 ? A HIS 173 ? A HIS 173 ? 1_555 FE ? I HEM . ? A HEM 396 ? 1_555 NC ? I HEM . ? A HEM 396 ? 1_555 97.1 ? 5 NA ? I HEM . ? A HEM 396 ? 1_555 FE ? I HEM . ? A HEM 396 ? 1_555 NC ? I HEM . ? A HEM 396 ? 1_555 166.3 ? 6 NB ? I HEM . ? A HEM 396 ? 1_555 FE ? I HEM . ? A HEM 396 ? 1_555 NC ? I HEM . ? A HEM 396 ? 1_555 90.5 ? 7 NE2 ? A HIS 173 ? A HIS 173 ? 1_555 FE ? I HEM . ? A HEM 396 ? 1_555 ND ? I HEM . ? A HEM 396 ? 1_555 98.0 ? 8 NA ? I HEM . ? A HEM 396 ? 1_555 FE ? I HEM . ? A HEM 396 ? 1_555 ND ? I HEM . ? A HEM 396 ? 1_555 89.3 ? 9 NB ? I HEM . ? A HEM 396 ? 1_555 FE ? I HEM . ? A HEM 396 ? 1_555 ND ? I HEM . ? A HEM 396 ? 1_555 169.2 ? 10 NC ? I HEM . ? A HEM 396 ? 1_555 FE ? I HEM . ? A HEM 396 ? 1_555 ND ? I HEM . ? A HEM 396 ? 1_555 88.1 ? 11 NE2 ? A HIS 173 ? A HIS 173 ? 1_555 FE ? I HEM . ? A HEM 396 ? 1_555 O ? J HOH . ? A HOH 1137 ? 1_555 173.3 ? 12 NA ? I HEM . ? A HEM 396 ? 1_555 FE ? I HEM . ? A HEM 396 ? 1_555 O ? J HOH . ? A HOH 1137 ? 1_555 79.7 ? 13 NB ? I HEM . ? A HEM 396 ? 1_555 FE ? I HEM . ? A HEM 396 ? 1_555 O ? J HOH . ? A HOH 1137 ? 1_555 81.6 ? 14 NC ? I HEM . ? A HEM 396 ? 1_555 FE ? I HEM . ? A HEM 396 ? 1_555 O ? J HOH . ? A HOH 1137 ? 1_555 86.7 ? 15 ND ? I HEM . ? A HEM 396 ? 1_555 FE ? I HEM . ? A HEM 396 ? 1_555 O ? J HOH . ? A HOH 1137 ? 1_555 87.7 ? 16 OD2 ? A ASP 47 ? A ASP 47 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 O ? J HOH . ? A HOH 1127 ? 1_555 173.8 ? 17 OD2 ? A ASP 47 ? A ASP 47 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 O ? J HOH . ? A HOH 1085 ? 1_555 91.1 ? 18 O ? J HOH . ? A HOH 1127 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 O ? J HOH . ? A HOH 1085 ? 1_555 86.4 ? 19 OD2 ? A ASP 47 ? A ASP 47 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 OD1 ? A ASP 64 ? A ASP 64 ? 1_555 84.4 ? 20 O ? J HOH . ? A HOH 1127 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 OD1 ? A ASP 64 ? A ASP 64 ? 1_555 95.1 ? 21 O ? J HOH . ? A HOH 1085 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 OD1 ? A ASP 64 ? A ASP 64 ? 1_555 151.3 ? 22 OD2 ? A ASP 47 ? A ASP 47 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 O ? A GLY 62 ? A GLY 62 ? 1_555 97.0 ? 23 O ? J HOH . ? A HOH 1127 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 O ? A GLY 62 ? A GLY 62 ? 1_555 88.6 ? 24 O ? J HOH . ? A HOH 1085 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 O ? A GLY 62 ? A GLY 62 ? 1_555 138.6 ? 25 OD1 ? A ASP 64 ? A ASP 64 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 O ? A GLY 62 ? A GLY 62 ? 1_555 70.1 ? 26 OD2 ? A ASP 47 ? A ASP 47 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 O ? A ASP 47 ? A ASP 47 ? 1_555 81.7 ? 27 O ? J HOH . ? A HOH 1127 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 O ? A ASP 47 ? A ASP 47 ? 1_555 103.0 ? 28 O ? J HOH . ? A HOH 1085 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 O ? A ASP 47 ? A ASP 47 ? 1_555 73.6 ? 29 OD1 ? A ASP 64 ? A ASP 64 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 O ? A ASP 47 ? A ASP 47 ? 1_555 133.1 ? 30 O ? A GLY 62 ? A GLY 62 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 O ? A ASP 47 ? A ASP 47 ? 1_555 67.6 ? 31 OD2 ? A ASP 47 ? A ASP 47 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 OG ? A SER 66 ? A SER 66 ? 1_555 89.6 ? 32 O ? J HOH . ? A HOH 1127 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 OG ? A SER 66 ? A SER 66 ? 1_555 84.2 ? 33 O ? J HOH . ? A HOH 1085 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 OG ? A SER 66 ? A SER 66 ? 1_555 75.6 ? 34 OD1 ? A ASP 64 ? A ASP 64 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 OG ? A SER 66 ? A SER 66 ? 1_555 76.0 ? 35 O ? A GLY 62 ? A GLY 62 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 OG ? A SER 66 ? A SER 66 ? 1_555 144.6 ? 36 O ? A ASP 47 ? A ASP 47 ? 1_555 CA ? F CA . ? A CA 372 ? 1_555 OG ? A SER 66 ? A SER 66 ? 1_555 147.8 ? 37 O ? A SER 174 ? A SER 174 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 O ? A THR 193 ? A THR 193 ? 1_555 80.7 ? 38 O ? A SER 174 ? A SER 174 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OD2 ? A ASP 191 ? A ASP 191 ? 1_555 93.4 ? 39 O ? A THR 193 ? A THR 193 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OD2 ? A ASP 191 ? A ASP 191 ? 1_555 127.1 ? 40 O ? A SER 174 ? A SER 174 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OD1 ? A ASP 198 ? A ASP 198 ? 1_555 142.1 ? 41 O ? A THR 193 ? A THR 193 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OD1 ? A ASP 198 ? A ASP 198 ? 1_555 127.0 ? 42 OD2 ? A ASP 191 ? A ASP 191 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OD1 ? A ASP 198 ? A ASP 198 ? 1_555 88.2 ? 43 O ? A SER 174 ? A SER 174 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OG ? A SER 174 ? A SER 174 ? 1_555 72.6 ? 44 O ? A THR 193 ? A THR 193 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OG ? A SER 174 ? A SER 174 ? 1_555 144.4 ? 45 OD2 ? A ASP 191 ? A ASP 191 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OG ? A SER 174 ? A SER 174 ? 1_555 78.3 ? 46 OD1 ? A ASP 198 ? A ASP 198 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OG ? A SER 174 ? A SER 174 ? 1_555 70.7 ? 47 O ? A SER 174 ? A SER 174 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 O ? A THR 196 ? A THR 196 ? 1_555 83.4 ? 48 O ? A THR 193 ? A THR 193 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 O ? A THR 196 ? A THR 196 ? 1_555 77.6 ? 49 OD2 ? A ASP 191 ? A ASP 191 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 O ? A THR 196 ? A THR 196 ? 1_555 154.4 ? 50 OD1 ? A ASP 198 ? A ASP 198 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 O ? A THR 196 ? A THR 196 ? 1_555 79.2 ? 51 OG ? A SER 174 ? A SER 174 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 O ? A THR 196 ? A THR 196 ? 1_555 76.4 ? 52 O ? A SER 174 ? A SER 174 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OG1 ? A THR 193 ? A THR 193 ? 1_555 146.0 ? 53 O ? A THR 193 ? A THR 193 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OG1 ? A THR 193 ? A THR 193 ? 1_555 69.6 ? 54 OD2 ? A ASP 191 ? A ASP 191 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OG1 ? A THR 193 ? A THR 193 ? 1_555 91.8 ? 55 OD1 ? A ASP 198 ? A ASP 198 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OG1 ? A THR 193 ? A THR 193 ? 1_555 71.6 ? 56 OG ? A SER 174 ? A SER 174 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OG1 ? A THR 193 ? A THR 193 ? 1_555 141.2 ? 57 O ? A THR 196 ? A THR 196 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OG1 ? A THR 193 ? A THR 193 ? 1_555 105.1 ? 58 O ? A SER 174 ? A SER 174 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OD1 ? A ASP 191 ? A ASP 191 ? 1_555 79.5 ? 59 O ? A THR 193 ? A THR 193 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OD1 ? A ASP 191 ? A ASP 191 ? 1_555 76.3 ? 60 OD2 ? A ASP 191 ? A ASP 191 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OD1 ? A ASP 191 ? A ASP 191 ? 1_555 51.1 ? 61 OD1 ? A ASP 198 ? A ASP 198 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OD1 ? A ASP 191 ? A ASP 191 ? 1_555 127.8 ? 62 OG ? A SER 174 ? A SER 174 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OD1 ? A ASP 191 ? A ASP 191 ? 1_555 119.9 ? 63 O ? A THR 196 ? A THR 196 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OD1 ? A ASP 191 ? A ASP 191 ? 1_555 150.8 ? 64 OG1 ? A THR 193 ? A THR 193 ? 1_555 CA ? E CA . ? A CA 371 ? 1_555 OD1 ? A ASP 191 ? A ASP 191 ? 1_555 77.8 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2010-04-14 2 'Structure model' 1 1 2011-07-13 3 'Structure model' 1 2 2017-11-08 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 3 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 SHELX . ? package 'George M. Sheldrick' gsheldr@shelx.uni-ac.gwdg.de refinement http://shelx.uni-ac.gwdg.de/SHELX/ Fortran_77 ? 2 PDB_EXTRACT 3.100 'Jan. 22, 2010' package PDB help@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 3 MAR345dtb . ? ? ? ? 'data collection' ? ? ? 4 MOSFLM . ? ? ? ? 'data reduction' ? ? ? 5 SCALA . ? ? ? ? 'data scaling' ? ? ? 6 SHELXL-97 . ? ? ? ? refinement ? ? ? # loop_ _pdbx_validate_rmsd_bond.id _pdbx_validate_rmsd_bond.PDB_model_num _pdbx_validate_rmsd_bond.auth_atom_id_1 _pdbx_validate_rmsd_bond.auth_asym_id_1 _pdbx_validate_rmsd_bond.auth_comp_id_1 _pdbx_validate_rmsd_bond.auth_seq_id_1 _pdbx_validate_rmsd_bond.PDB_ins_code_1 _pdbx_validate_rmsd_bond.label_alt_id_1 _pdbx_validate_rmsd_bond.auth_atom_id_2 _pdbx_validate_rmsd_bond.auth_asym_id_2 _pdbx_validate_rmsd_bond.auth_comp_id_2 _pdbx_validate_rmsd_bond.auth_seq_id_2 _pdbx_validate_rmsd_bond.PDB_ins_code_2 _pdbx_validate_rmsd_bond.label_alt_id_2 _pdbx_validate_rmsd_bond.bond_value _pdbx_validate_rmsd_bond.bond_target_value _pdbx_validate_rmsd_bond.bond_deviation _pdbx_validate_rmsd_bond.bond_standard_deviation _pdbx_validate_rmsd_bond.linker_flag 1 1 CD A GLU 26 ? ? OE2 A GLU 26 ? ? 1.319 1.252 0.067 0.011 N 2 1 C A ALA 357 ? ? O A ALA 357 ? ? 1.460 1.229 0.231 0.019 N 3 1 C A ALA 357 ? ? OXT A ALA 357 ? ? 1.525 1.229 0.296 0.019 N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 NE A ARG 8 ? ? CZ A ARG 8 ? ? NH1 A ARG 8 ? ? 125.52 120.30 5.22 0.50 N 2 1 NE A ARG 8 ? ? CZ A ARG 8 ? ? NH2 A ARG 8 ? ? 113.38 120.30 -6.92 0.50 N 3 1 CD A ARG 42 ? A NE A ARG 42 ? A CZ A ARG 42 ? A 135.12 123.60 11.52 1.40 N 4 1 OG1 A THR 44 ? A CB A THR 44 ? ? CG2 A THR 44 ? A 139.58 110.00 29.58 2.30 N 5 1 CA A THR 44 ? ? CB A THR 44 ? ? CG2 A THR 44 ? A 98.99 112.40 -13.41 1.40 N 6 1 NE A ARG 53 ? ? CZ A ARG 53 ? ? NH2 A ARG 53 ? ? 115.84 120.30 -4.46 0.50 N 7 1 CA A GLN 183 ? ? CB A GLN 183 ? ? CG A GLN 183 ? ? 128.89 113.40 15.49 2.20 N 8 1 CB A LEU 203 ? ? CG A LEU 203 ? ? CD1 A LEU 203 ? B 122.45 111.00 11.45 1.70 N 9 1 CB A PHE 264 ? ? CG A PHE 264 ? ? CD1 A PHE 264 ? ? 125.02 120.80 4.22 0.70 N 10 1 OE1 A GLN 330 ? ? CD A GLN 330 ? ? NE2 A GLN 330 ? ? 136.10 121.90 14.20 2.30 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 CYS A 33 ? ? -91.83 51.73 2 1 VAL A 73 ? ? -100.64 -87.90 3 1 SER A 309 ? ? 89.34 -1.32 4 1 CYS A 348 ? ? -156.12 60.57 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A ASN 217 ? CG ? A ASN 217 CG 2 1 Y 1 A ASN 217 ? OD1 ? A ASN 217 OD1 3 1 Y 1 A ASN 217 ? ND2 ? A ASN 217 ND2 4 1 Y 1 A MET 346 ? CG ? A MET 346 CG 5 1 Y 1 A MET 346 ? SD ? A MET 346 SD 6 1 Y 1 A MET 346 ? CE ? A MET 346 CE # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 ALPHA-D-MANNOSE MAN 4 'CALCIUM ION' CA 5 GLYCEROL GOL 6 'PROTOPORPHYRIN IX CONTAINING FE' HEM 7 water HOH #