data_2WQR # _entry.id 2WQR # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.282 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2WQR PDBE EBI-40870 WWPDB D_1290040870 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.content_type _pdbx_database_related.details PDB 1FP5 unspecified 'CRYSTAL STRUCTURE ANALYSIS OF THE HUMAN IGE -FC CEPSILON3-CEPSILON4 FRAGMENT.' PDB 1G84 unspecified 'THE SOLUTION STRUCTURE OF THE C EPSILON2 DOMAIN FROM IGE' PDB 1F6A unspecified 'STRUCTURE OF THE HUMAN IGE-FC BOUND TO ITS HIGH AFFINITYRECEPTOR FC(EPSILON)RI( ALPHA)' PDB 1IGE unspecified ;FC FRAGMENT (IGE'CL) (THEORETICAL MODEL) ; PDB 1O0V unspecified 'THE CRYSTAL STRUCTURE OF IGE FC REVEALS AN ASYMMETRICALLYBENT CONFORMATION' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2WQR _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2009-08-26 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Dhaliwal, B.' 1 'Sutton, B.J.' 2 'Beavil, A.J.' 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 'Conformational Changes in Ige Contribute to its Uniquely Slow Dissociation Rate from Receptor Fceri' Nat.Struct.Mol.Biol. 18 571 ? 2011 ? US 1545-9993 ? ? 21516097 10.1038/NSMB.2044 1 'The Crystal Structure of Ige Fc Reveals an Asymmetrically Bent Conformation' Nat.Immunol. 3 681 ? 2002 ? UK 1529-2908 ? ? 12068291 10.1038/NI811 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Holdom, M.D.' 1 primary 'Davies, A.M.' 2 primary 'Nettleship, J.E.' 3 primary 'Bagby, S.C.' 4 primary 'Dhaliwal, B.' 5 primary 'Girardi, E.' 6 primary 'Hunt, J.' 7 primary 'Gould, H.J.' 8 primary 'Beavil, A.J.' 9 primary 'Mcdonnell, J.M.' 10 primary 'Owens, R.J.' 11 primary 'Sutton, B.J.' 12 1 'Wan, T.' 13 1 'Beavil, R.L.' 14 1 'Fabiane, S.M.' 15 1 'Beavil, A.J.' 16 1 'Sohi, M.K.' 17 1 'Keown, M.' 18 1 'Young, R.J.' 19 1 'Henry, A.J.' 20 1 'Owens, R.J.' 21 1 'Gould, H.J.' 22 1 'Sutton, B.J.' 23 # _cell.entry_id 2WQR _cell.length_a 130.502 _cell.length_b 75.282 _cell.length_c 79.144 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? # _symmetry.entry_id 2WQR _symmetry.space_group_name_H-M 'P 21 21 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 18 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'IG EPSILON CHAIN C REGION' 35930.289 2 ? YES 'FC FRAGMENT, RESIDUES 105-427' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 2 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 4 ? ? ? ? 5 non-polymer syn 'SULFATE ION' 96.063 4 ? ? ? ? 6 non-polymer syn GLYCEROL 92.094 2 ? ? ? ? 7 non-polymer syn 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL 122.143 1 ? ? ? ? 8 non-polymer syn 'TETRAETHYLENE GLYCOL' 194.226 1 ? ? ? ? 9 water nat water 18.015 533 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'IMMUNOGLOBULIN E, IGE FC' # _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 ;CSRDFTPPTVKILQSSCDGGGHFPPTIQLLCLVSGYTPGTIQITWLEDGQVMDVDLSTASTTQEGELASTQSELTLSQKH WLSDRTYTCQVTYQGHTFEDSTKKCADSNPRGVSAYLSRPSPFDLFIRKSPTITCLVVDLAPSKGTVQLTWSRASGKPVN HSTRKEEKQRNGTLTVTSTLPVGTRDWIEGETYQCRVTHPHLPRALMRSTTKTSGPRAAPEVYAFATPEWPGSRDKRTLA CLIQNFMPEDISVQWLHNEVQLPDARHSTTQPRKTKGSGFFVFSRLEVTRAEWEQKDEFICRAVHEAASPSQTVQRAVSV NPG ; _entity_poly.pdbx_seq_one_letter_code_can ;CSRDFTPPTVKILQSSCDGGGHFPPTIQLLCLVSGYTPGTIQITWLEDGQVMDVDLSTASTTQEGELASTQSELTLSQKH WLSDRTYTCQVTYQGHTFEDSTKKCADSNPRGVSAYLSRPSPFDLFIRKSPTITCLVVDLAPSKGTVQLTWSRASGKPVN HSTRKEEKQRNGTLTVTSTLPVGTRDWIEGETYQCRVTHPHLPRALMRSTTKTSGPRAAPEVYAFATPEWPGSRDKRTLA CLIQNFMPEDISVQWLHNEVQLPDARHSTTQPRKTKGSGFFVFSRLEVTRAEWEQKDEFICRAVHEAASPSQTVQRAVSV NPG ; _entity_poly.pdbx_strand_id A,B _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 CYS n 1 2 SER n 1 3 ARG n 1 4 ASP n 1 5 PHE n 1 6 THR n 1 7 PRO n 1 8 PRO n 1 9 THR n 1 10 VAL n 1 11 LYS n 1 12 ILE n 1 13 LEU n 1 14 GLN n 1 15 SER n 1 16 SER n 1 17 CYS n 1 18 ASP n 1 19 GLY n 1 20 GLY n 1 21 GLY n 1 22 HIS n 1 23 PHE n 1 24 PRO n 1 25 PRO n 1 26 THR n 1 27 ILE n 1 28 GLN n 1 29 LEU n 1 30 LEU n 1 31 CYS n 1 32 LEU n 1 33 VAL n 1 34 SER n 1 35 GLY n 1 36 TYR n 1 37 THR n 1 38 PRO n 1 39 GLY n 1 40 THR n 1 41 ILE n 1 42 GLN n 1 43 ILE n 1 44 THR n 1 45 TRP n 1 46 LEU n 1 47 GLU n 1 48 ASP n 1 49 GLY n 1 50 GLN n 1 51 VAL n 1 52 MET n 1 53 ASP n 1 54 VAL n 1 55 ASP n 1 56 LEU n 1 57 SER n 1 58 THR n 1 59 ALA n 1 60 SER n 1 61 THR n 1 62 THR n 1 63 GLN n 1 64 GLU n 1 65 GLY n 1 66 GLU n 1 67 LEU n 1 68 ALA n 1 69 SER n 1 70 THR n 1 71 GLN n 1 72 SER n 1 73 GLU n 1 74 LEU n 1 75 THR n 1 76 LEU n 1 77 SER n 1 78 GLN n 1 79 LYS n 1 80 HIS n 1 81 TRP n 1 82 LEU n 1 83 SER n 1 84 ASP n 1 85 ARG n 1 86 THR n 1 87 TYR n 1 88 THR n 1 89 CYS n 1 90 GLN n 1 91 VAL n 1 92 THR n 1 93 TYR n 1 94 GLN n 1 95 GLY n 1 96 HIS n 1 97 THR n 1 98 PHE n 1 99 GLU n 1 100 ASP n 1 101 SER n 1 102 THR n 1 103 LYS n 1 104 LYS n 1 105 CYS n 1 106 ALA n 1 107 ASP n 1 108 SER n 1 109 ASN n 1 110 PRO n 1 111 ARG n 1 112 GLY n 1 113 VAL n 1 114 SER n 1 115 ALA n 1 116 TYR n 1 117 LEU n 1 118 SER n 1 119 ARG n 1 120 PRO n 1 121 SER n 1 122 PRO n 1 123 PHE n 1 124 ASP n 1 125 LEU n 1 126 PHE n 1 127 ILE n 1 128 ARG n 1 129 LYS n 1 130 SER n 1 131 PRO n 1 132 THR n 1 133 ILE n 1 134 THR n 1 135 CYS n 1 136 LEU n 1 137 VAL n 1 138 VAL n 1 139 ASP n 1 140 LEU n 1 141 ALA n 1 142 PRO n 1 143 SER n 1 144 LYS n 1 145 GLY n 1 146 THR n 1 147 VAL n 1 148 GLN n 1 149 LEU n 1 150 THR n 1 151 TRP n 1 152 SER n 1 153 ARG n 1 154 ALA n 1 155 SER n 1 156 GLY n 1 157 LYS n 1 158 PRO n 1 159 VAL n 1 160 ASN n 1 161 HIS n 1 162 SER n 1 163 THR n 1 164 ARG n 1 165 LYS n 1 166 GLU n 1 167 GLU n 1 168 LYS n 1 169 GLN n 1 170 ARG n 1 171 ASN n 1 172 GLY n 1 173 THR n 1 174 LEU n 1 175 THR n 1 176 VAL n 1 177 THR n 1 178 SER n 1 179 THR n 1 180 LEU n 1 181 PRO n 1 182 VAL n 1 183 GLY n 1 184 THR n 1 185 ARG n 1 186 ASP n 1 187 TRP n 1 188 ILE n 1 189 GLU n 1 190 GLY n 1 191 GLU n 1 192 THR n 1 193 TYR n 1 194 GLN n 1 195 CYS n 1 196 ARG n 1 197 VAL n 1 198 THR n 1 199 HIS n 1 200 PRO n 1 201 HIS n 1 202 LEU n 1 203 PRO n 1 204 ARG n 1 205 ALA n 1 206 LEU n 1 207 MET n 1 208 ARG n 1 209 SER n 1 210 THR n 1 211 THR n 1 212 LYS n 1 213 THR n 1 214 SER n 1 215 GLY n 1 216 PRO n 1 217 ARG n 1 218 ALA n 1 219 ALA n 1 220 PRO n 1 221 GLU n 1 222 VAL n 1 223 TYR n 1 224 ALA n 1 225 PHE n 1 226 ALA n 1 227 THR n 1 228 PRO n 1 229 GLU n 1 230 TRP n 1 231 PRO n 1 232 GLY n 1 233 SER n 1 234 ARG n 1 235 ASP n 1 236 LYS n 1 237 ARG n 1 238 THR n 1 239 LEU n 1 240 ALA n 1 241 CYS n 1 242 LEU n 1 243 ILE n 1 244 GLN n 1 245 ASN n 1 246 PHE n 1 247 MET n 1 248 PRO n 1 249 GLU n 1 250 ASP n 1 251 ILE n 1 252 SER n 1 253 VAL n 1 254 GLN n 1 255 TRP n 1 256 LEU n 1 257 HIS n 1 258 ASN n 1 259 GLU n 1 260 VAL n 1 261 GLN n 1 262 LEU n 1 263 PRO n 1 264 ASP n 1 265 ALA n 1 266 ARG n 1 267 HIS n 1 268 SER n 1 269 THR n 1 270 THR n 1 271 GLN n 1 272 PRO n 1 273 ARG n 1 274 LYS n 1 275 THR n 1 276 LYS n 1 277 GLY n 1 278 SER n 1 279 GLY n 1 280 PHE n 1 281 PHE n 1 282 VAL n 1 283 PHE n 1 284 SER n 1 285 ARG n 1 286 LEU n 1 287 GLU n 1 288 VAL n 1 289 THR n 1 290 ARG n 1 291 ALA n 1 292 GLU n 1 293 TRP n 1 294 GLU n 1 295 GLN n 1 296 LYS n 1 297 ASP n 1 298 GLU n 1 299 PHE n 1 300 ILE n 1 301 CYS n 1 302 ARG n 1 303 ALA n 1 304 VAL n 1 305 HIS n 1 306 GLU n 1 307 ALA n 1 308 ALA n 1 309 SER n 1 310 PRO n 1 311 SER n 1 312 GLN n 1 313 THR n 1 314 VAL n 1 315 GLN n 1 316 ARG n 1 317 ALA n 1 318 VAL n 1 319 SER n 1 320 VAL n 1 321 ASN n 1 322 PRO n 1 323 GLY n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name HUMAN _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'HOMO SAPIENS' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'MUS MUSCULUS' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 10090 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line 'MOUSE MYELOMA NS0' _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name PEE6 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code IGHE_HUMAN _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession P01854 _struct_ref.pdbx_db_isoform ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 2WQR A 1 ? 323 ? P01854 105 ? 427 ? 225 546 2 1 2WQR B 1 ? 323 ? P01854 105 ? 427 ? 225 546 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 2WQR GLN A 42 ? UNP P01854 ASN 146 'engineered mutation' 265 1 1 2WQR GLN A 148 ? UNP P01854 ASN 252 'engineered mutation' 371 2 2 2WQR GLN B 42 ? UNP P01854 ASN 146 'engineered mutation' 265 3 2 2WQR GLN B 148 ? UNP P01854 ASN 252 'engineered mutation' 371 4 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 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 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 PG4 non-polymer . 'TETRAETHYLENE GLYCOL' ? 'C8 H18 O5' 194.226 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 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TRS non-polymer . 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL 'TRIS BUFFER' 'C4 H12 N O3 1' 122.143 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 2WQR _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.7 _exptl_crystal.density_percent_sol 54 _exptl_crystal.description NONE # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 8.5 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details ;THE PROTEIN CONCENTRATION WAS 1.9 MG/ML. CRYSTALS GREW AT 18 DEGREES C WITH 14% PEG 8000, 200MM LITHIUM SULPHATE, 100MM TRIS-HCL PH 8.5 AS PRECIPITANT. ; # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 315' _diffrn_detector.pdbx_collection_date 2008-07-31 _diffrn_detector.details MIRRORS # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'DOUBLE CRYSTAL' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9720 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'DIAMOND BEAMLINE I04' _diffrn_source.pdbx_synchrotron_site Diamond _diffrn_source.pdbx_synchrotron_beamline I04 _diffrn_source.pdbx_wavelength 0.9720 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 2WQR _reflns.observed_criterion_sigma_I 1.33 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 50.00 _reflns.d_resolution_high 1.90 _reflns.number_obs 62035 _reflns.number_all ? _reflns.percent_possible_obs 99.9 _reflns.pdbx_Rmerge_I_obs 0.07 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 26.30 _reflns.B_iso_Wilson_estimate 31.56 _reflns.pdbx_redundancy 7.3 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 1.90 _reflns_shell.d_res_low 1.97 _reflns_shell.percent_possible_all 100.0 _reflns_shell.Rmerge_I_obs 0.53 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 2.90 _reflns_shell.pdbx_redundancy 7.4 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 2WQR _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 61875 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.33 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 36 _refine.ls_d_res_high 1.9 _refine.ls_percent_reflns_obs 99.9 _refine.ls_R_factor_obs 0.1949 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1928 _refine.ls_R_factor_R_free 0.2340 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 3120 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 47.98 _refine.aniso_B[1][1] -1.3857 _refine.aniso_B[2][2] 3.3369 _refine.aniso_B[3][3] -1.9512 _refine.aniso_B[1][2] 0 _refine.aniso_B[1][3] 0 _refine.aniso_B[2][3] 0 _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol 0.33 _refine.solvent_model_param_bsol 50.155 _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method ? _refine.details 'RESIDUE 318, 319 AND 367 ARE DISORDERED IN CHAIN B. THE OCCUPANCY WAS SET TO ZERO FOR THE DISORDERED REGIONS.' _refine.pdbx_starting_model 'PDB ENTRY 1O0V' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.27 _refine.pdbx_overall_phase_error 23.7 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 5017 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 175 _refine_hist.number_atoms_solvent 533 _refine_hist.number_atoms_total 5725 _refine_hist.d_res_high 1.9 _refine_hist.d_res_low 36 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function f_bond_d 0.005 ? ? 5326 'X-RAY DIFFRACTION' ? f_angle_d 1.001 ? ? 7255 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 21.457 ? ? 2000 'X-RAY DIFFRACTION' ? f_chiral_restr 0.066 ? ? 841 'X-RAY DIFFRACTION' ? f_plane_restr 0.004 ? ? 931 'X-RAY DIFFRACTION' ? # _struct.entry_id 2WQR _struct.title 'The high resolution crystal structure of IgE Fc' _struct.pdbx_descriptor 'IG EPSILON CHAIN C REGION' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2WQR _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' _struct_keywords.text 'IMMUNE SYSTEM, IMMUNOGLOBULIN DOMAIN, GLYCOPROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 2 ? E N N 3 ? F N N 4 ? G N N 4 ? H N N 5 ? I N N 5 ? J N N 5 ? K N N 6 ? L N N 7 ? M N N 6 ? N N N 8 ? O N N 5 ? P N N 2 ? Q N N 2 ? R N N 3 ? S N N 4 ? T N N 4 ? U N N 9 ? V N N 9 ? # _struct_biol.id 1 # 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 ASP A 53 ? ASP A 55 ? ASP A 276 ASP A 278 5 ? 3 HELX_P HELX_P2 2 GLN A 78 ? SER A 83 ? GLN A 301 SER A 306 1 ? 6 HELX_P HELX_P3 3 SER A 121 ? ILE A 127 ? SER A 344 ILE A 350 1 ? 7 HELX_P HELX_P4 4 THR A 184 ? GLU A 189 ? THR A 407 GLU A 412 1 ? 6 HELX_P HELX_P5 5 PRO A 263 ? ALA A 265 ? PRO A 486 ALA A 488 5 ? 3 HELX_P HELX_P6 6 ARG A 290 ? LYS A 296 ? ARG A 513 LYS A 519 1 ? 7 HELX_P HELX_P7 7 CYS B 1 ? PHE B 5 ? CYS B 225 PHE B 229 5 ? 5 HELX_P HELX_P8 8 ASP B 53 ? ASP B 55 ? ASP B 276 ASP B 278 5 ? 3 HELX_P HELX_P9 9 GLN B 78 ? SER B 83 ? GLN B 301 SER B 306 1 ? 6 HELX_P HELX_P10 10 SER B 121 ? ILE B 127 ? SER B 344 ILE B 350 1 ? 7 HELX_P HELX_P11 11 THR B 184 ? GLU B 189 ? THR B 407 GLU B 412 1 ? 6 HELX_P HELX_P12 12 PRO B 263 ? ALA B 265 ? PRO B 486 ALA B 488 5 ? 3 HELX_P HELX_P13 13 ARG B 290 ? LYS B 296 ? ARG B 513 LYS B 519 1 ? 7 # _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 17 SG ? ? ? 1_555 B CYS 105 SG ? ? A CYS 241 B CYS 328 1_555 ? ? ? ? ? ? ? 2.032 ? disulf2 disulf ? ? A CYS 31 SG ? ? ? 1_555 A CYS 89 SG ? ? A CYS 254 A CYS 312 1_555 ? ? ? ? ? ? ? 2.022 ? disulf3 disulf ? ? A CYS 105 SG ? ? ? 1_555 B CYS 17 SG ? ? A CYS 328 B CYS 241 1_555 ? ? ? ? ? ? ? 2.037 ? disulf4 disulf ? ? A CYS 135 SG ? ? ? 1_555 A CYS 195 SG ? ? A CYS 358 A CYS 418 1_555 ? ? ? ? ? ? ? 2.027 ? disulf5 disulf ? ? A CYS 241 SG ? ? ? 1_555 A CYS 301 SG ? ? A CYS 464 A CYS 524 1_555 ? ? ? ? ? ? ? 2.047 ? disulf6 disulf ? ? B CYS 31 SG ? ? ? 1_555 B CYS 89 SG ? ? B CYS 254 B CYS 312 1_555 ? ? ? ? ? ? ? 2.018 ? disulf7 disulf ? ? B CYS 135 SG ? ? ? 1_555 B CYS 195 SG ? ? B CYS 358 B CYS 418 1_555 ? ? ? ? ? ? ? 2.035 ? disulf8 disulf ? ? B CYS 241 SG ? ? ? 1_555 B CYS 301 SG ? ? B CYS 464 B CYS 524 1_555 ? ? ? ? ? ? ? 2.037 ? covale1 covale one ? A ASN 171 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 394 A NAG 601 1_555 ? ? ? ? ? ? ? 1.445 ? covale2 covale one ? B ASN 171 ND2 ? ? ? 1_555 P NAG . C1 ? ? B ASN 394 B NAG 604 1_555 ? ? ? ? ? ? ? 1.452 ? covale3 covale both ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 601 A NAG 602 1_555 ? ? ? ? ? ? ? 1.446 ? covale4 covale both ? D NAG . O4 ? ? ? 1_555 E BMA . C1 ? ? A NAG 602 A BMA 603 1_555 ? ? ? ? ? ? ? 1.450 ? covale5 covale one ? E BMA . O3 ? ? ? 1_555 G MAN . C1 ? ? A BMA 603 A MAN 605 1_555 ? ? ? ? ? ? ? 1.450 ? covale6 covale one ? E BMA . O6 ? ? ? 1_555 F MAN . C1 ? ? A BMA 603 A MAN 604 1_555 ? ? ? ? ? ? ? 1.438 ? covale7 covale both ? P NAG . O4 ? ? ? 1_555 Q NAG . C1 ? ? B NAG 604 B NAG 605 1_555 ? ? ? ? ? ? ? 1.436 ? covale8 covale both ? Q NAG . O4 ? ? ? 1_555 R BMA . C1 ? ? B NAG 605 B BMA 606 1_555 ? ? ? ? ? ? ? 1.450 ? covale9 covale one ? R BMA . O3 ? ? ? 1_555 T MAN . C1 ? ? B BMA 606 B MAN 608 1_555 ? ? ? ? ? ? ? 1.444 ? covale10 covale one ? R BMA . O6 ? ? ? 1_555 S MAN . C1 ? ? B BMA 606 B MAN 607 1_555 ? ? ? ? ? ? ? 1.446 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 MET 247 A . ? MET 470 A PRO 248 A ? PRO 471 A 1 -0.94 2 SER 309 A . ? SER 532 A PRO 310 A ? PRO 533 A 1 9.94 3 MET 247 B . ? MET 470 B PRO 248 B ? PRO 471 B 1 1.45 4 SER 309 B . ? SER 532 B PRO 310 B ? PRO 533 B 1 12.57 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA ? 8 ? AB ? 3 ? AC ? 4 ? AD ? 3 ? AE ? 4 ? AF ? 4 ? BA ? 3 ? BB ? 4 ? BC ? 3 ? BD ? 4 ? BE ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA 1 2 ? anti-parallel AA 2 3 ? anti-parallel AA 3 4 ? anti-parallel AA 4 5 ? anti-parallel AA 5 6 ? anti-parallel AA 6 7 ? anti-parallel AA 7 8 ? anti-parallel AB 1 2 ? anti-parallel AB 2 3 ? anti-parallel AC 1 2 ? anti-parallel AC 2 3 ? anti-parallel AC 3 4 ? anti-parallel AD 1 2 ? anti-parallel AD 2 3 ? anti-parallel AE 1 2 ? anti-parallel AE 2 3 ? anti-parallel AE 3 4 ? anti-parallel AF 1 2 ? anti-parallel AF 2 3 ? anti-parallel AF 3 4 ? anti-parallel BA 1 2 ? anti-parallel BA 2 3 ? anti-parallel BB 1 2 ? anti-parallel BB 2 3 ? anti-parallel BB 3 4 ? anti-parallel BC 1 2 ? anti-parallel BC 2 3 ? anti-parallel BD 1 2 ? anti-parallel BD 2 3 ? anti-parallel BD 3 4 ? anti-parallel BE 1 2 ? anti-parallel BE 2 3 ? anti-parallel BE 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA 1 SER A 57 ? GLN A 63 ? SER A 280 GLN A 286 AA 2 ALA A 68 ? SER A 77 ? ALA A 291 SER A 300 AA 3 THR A 26 ? VAL A 33 ? THR A 250 VAL A 256 AA 4 LYS A 11 ? SER A 15 ? LYS A 235 SER A 239 AA 5 VAL B 10 ? SER B 15 ? VAL B 234 SER B 239 AA 6 THR B 26 ? VAL B 33 ? THR B 250 VAL B 256 AA 7 ALA B 68 ? SER B 77 ? ALA B 291 SER B 300 AA 8 SER B 57 ? GLN B 63 ? SER B 280 GLN B 286 AB 1 ILE A 41 ? GLU A 47 ? ILE A 264 GLU A 270 AB 2 TYR A 87 ? TYR A 93 ? TYR A 310 TYR A 316 AB 3 THR A 97 ? THR A 102 ? THR A 320 THR A 325 AC 1 SER A 114 ? LEU A 117 ? SER A 337 LEU A 340 AC 2 THR A 132 ? LEU A 140 ? THR A 355 LEU A 363 AC 3 LEU A 174 ? PRO A 181 ? LEU A 397 PRO A 404 AC 4 LYS A 165 ? LYS A 168 ? LYS A 388 LYS A 391 AD 1 GLN A 148 ? ARG A 153 ? GLN A 371 ARG A 376 AD 2 TYR A 193 ? THR A 198 ? TYR A 416 THR A 421 AD 3 LEU A 206 ? THR A 210 ? LEU A 429 THR A 433 AE 1 GLU A 221 ? ALA A 226 ? GLU A 444 ALA A 449 AE 2 LYS A 236 ? GLN A 244 ? LYS A 459 GLN A 467 AE 3 PHE A 281 ? THR A 289 ? PHE A 504 THR A 512 AE 4 HIS A 267 ? THR A 269 ? HIS A 490 THR A 492 AF 1 VAL A 260 ? GLN A 261 ? VAL A 483 GLN A 484 AF 2 SER A 252 ? HIS A 257 ? SER A 475 HIS A 480 AF 3 PHE A 299 ? VAL A 304 ? PHE A 522 VAL A 527 AF 4 THR A 313 ? VAL A 318 ? THR A 536 VAL A 541 BA 1 ILE B 41 ? GLU B 47 ? ILE B 264 GLU B 270 BA 2 TYR B 87 ? TYR B 93 ? TYR B 310 TYR B 316 BA 3 THR B 97 ? THR B 102 ? THR B 320 THR B 325 BB 1 SER B 114 ? SER B 118 ? SER B 337 SER B 341 BB 2 THR B 132 ? LEU B 140 ? THR B 355 LEU B 363 BB 3 LEU B 174 ? PRO B 181 ? LEU B 397 PRO B 404 BB 4 THR B 163 ? LYS B 168 ? THR B 386 LYS B 391 BC 1 GLN B 148 ? ARG B 153 ? GLN B 371 ARG B 376 BC 2 TYR B 193 ? THR B 198 ? TYR B 416 THR B 421 BC 3 LEU B 206 ? THR B 210 ? LEU B 429 THR B 433 BD 1 GLU B 221 ? ALA B 226 ? GLU B 444 ALA B 449 BD 2 LYS B 236 ? GLN B 244 ? LYS B 459 GLN B 467 BD 3 PHE B 281 ? THR B 289 ? PHE B 504 THR B 512 BD 4 HIS B 267 ? THR B 269 ? HIS B 490 THR B 492 BE 1 VAL B 260 ? GLN B 261 ? VAL B 483 GLN B 484 BE 2 SER B 252 ? HIS B 257 ? SER B 475 HIS B 480 BE 3 PHE B 299 ? VAL B 304 ? PHE B 522 VAL B 527 BE 4 THR B 313 ? VAL B 318 ? THR B 536 VAL B 541 # 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 AA 1 2 N THR A 62 ? N THR A 285 O SER A 69 ? O SER A 292 AA 2 3 N LEU A 76 ? N LEU A 299 O ILE A 27 ? O ILE A 251 AA 3 4 N LEU A 32 ? N LEU A 255 O LYS A 11 ? O LYS A 235 AA 4 5 N GLN A 14 ? N GLN A 238 O GLN B 14 ? O GLN B 238 AA 5 6 N SER B 15 ? N SER B 239 O GLN B 28 ? O GLN B 252 AA 6 7 N VAL B 33 ? N VAL B 256 O THR B 70 ? O THR B 293 AA 7 8 N GLU B 73 ? N GLU B 296 O THR B 58 ? O THR B 281 AB 1 2 N LEU A 46 ? N LEU A 269 O THR A 88 ? O THR A 311 AB 2 3 N VAL A 91 ? N VAL A 314 O PHE A 98 ? O PHE A 321 AC 1 2 N TYR A 116 ? N TYR A 339 O LEU A 136 ? O LEU A 359 AC 2 3 N LEU A 140 ? N LEU A 363 O LEU A 174 ? O LEU A 397 AC 3 4 N THR A 177 ? N THR A 400 O LYS A 165 ? O LYS A 388 AD 1 2 N SER A 152 ? N SER A 375 O GLN A 194 ? O GLN A 417 AD 2 3 N VAL A 197 ? N VAL A 420 O LEU A 206 ? O LEU A 429 AE 1 2 N PHE A 225 ? N PHE A 448 O ALA A 240 ? O ALA A 463 AE 2 3 N ILE A 243 ? N ILE A 466 O VAL A 282 ? O VAL A 505 AE 3 4 N ARG A 285 ? N ARG A 508 O SER A 268 ? O SER A 491 AF 1 2 N VAL A 260 ? N VAL A 483 O HIS A 257 ? O HIS A 480 AF 2 3 N LEU A 256 ? N LEU A 479 O ILE A 300 ? O ILE A 523 AF 3 4 N ALA A 303 ? N ALA A 526 O VAL A 314 ? O VAL A 537 BA 1 2 N LEU B 46 ? N LEU B 269 O THR B 88 ? O THR B 311 BA 2 3 N VAL B 91 ? N VAL B 314 O PHE B 98 ? O PHE B 321 BB 1 2 N SER B 118 ? N SER B 341 O THR B 134 ? O THR B 357 BB 2 3 N LEU B 140 ? N LEU B 363 O LEU B 174 ? O LEU B 397 BB 3 4 N THR B 179 ? N THR B 402 O THR B 163 ? O THR B 386 BC 1 2 N SER B 152 ? N SER B 375 O GLN B 194 ? O GLN B 417 BC 2 3 N VAL B 197 ? N VAL B 420 O LEU B 206 ? O LEU B 429 BD 1 2 N PHE B 225 ? N PHE B 448 O ALA B 240 ? O ALA B 463 BD 2 3 N ILE B 243 ? N ILE B 466 O VAL B 282 ? O VAL B 505 BD 3 4 N ARG B 285 ? N ARG B 508 O SER B 268 ? O SER B 491 BE 1 2 N VAL B 260 ? N VAL B 483 O HIS B 257 ? O HIS B 480 BE 2 3 N LEU B 256 ? N LEU B 479 O ILE B 300 ? O ILE B 523 BE 3 4 N ALA B 303 ? N ALA B 526 O VAL B 314 ? O VAL B 537 # 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 ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 946' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 947' AC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE BMA A 948' AC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE MAN A 949' AC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 950' AC6 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SO4 A 951' AC7 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE SO4 A 952' AC8 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE SO4 A 953' AC9 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE GOL A 954' BC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE GOL A 955' BC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE TRS A 956' BC3 Software ? ? ? ? 14 'BINDING SITE FOR RESIDUE PG4 A 957' BC4 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 B 946' BC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG B 947' BC6 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG B 948' BC7 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE BMA B 949' BC8 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE MAN B 950' BC9 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN B 951' # 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 5 ASP A 139 ? ASP A 362 . ? 1_555 ? 2 AC1 5 GLN A 169 ? GLN A 392 . ? 1_555 ? 3 AC1 5 ASN A 171 ? ASN A 394 . ? 1_555 ? 4 AC1 5 THR A 173 ? THR A 396 . ? 1_555 ? 5 AC1 5 NAG D . ? NAG A 602 . ? 1_555 ? 6 AC2 4 TYR A 116 ? TYR A 339 . ? 1_555 ? 7 AC2 4 LEU A 136 ? LEU A 359 . ? 1_555 ? 8 AC2 4 NAG C . ? NAG A 601 . ? 1_555 ? 9 AC2 4 BMA E . ? BMA A 603 . ? 1_555 ? 10 AC3 5 TYR A 116 ? TYR A 339 . ? 1_555 ? 11 AC3 5 NAG D . ? NAG A 602 . ? 1_555 ? 12 AC3 5 MAN F . ? MAN A 604 . ? 1_555 ? 13 AC3 5 MAN G . ? MAN A 605 . ? 1_555 ? 14 AC3 5 HOH U . ? HOH A 888 . ? 1_555 ? 15 AC4 2 BMA E . ? BMA A 603 . ? 1_555 ? 16 AC4 2 HOH U . ? HOH A 818 . ? 1_555 ? 17 AC5 3 GLN A 271 ? GLN A 494 . ? 1_555 ? 18 AC5 3 BMA E . ? BMA A 603 . ? 1_555 ? 19 AC5 3 HOH U . ? HOH A 858 . ? 1_555 ? 20 AC6 6 THR A 270 ? THR A 493 . ? 1_555 ? 21 AC6 6 GLN A 271 ? GLN A 494 . ? 1_555 ? 22 AC6 6 ARG A 273 ? ARG A 496 . ? 1_555 ? 23 AC6 6 HOH U . ? HOH A 754 . ? 1_555 ? 24 AC6 6 HOH U . ? HOH A 786 . ? 1_555 ? 25 AC6 6 ARG B 273 ? ARG B 496 . ? 1_555 ? 26 AC7 2 THR A 184 ? THR A 407 . ? 1_555 ? 27 AC7 2 ARG A 185 ? ARG A 408 . ? 1_555 ? 28 AC8 3 ARG A 273 ? ARG A 496 . ? 1_555 ? 29 AC8 3 LYS A 274 ? LYS A 497 . ? 1_555 ? 30 AC8 3 ARG B 85 ? ARG B 308 . ? 1_555 ? 31 AC9 4 ARG A 196 ? ARG A 419 . ? 1_555 ? 32 AC9 4 ALA A 219 ? ALA A 442 . ? 3_556 ? 33 AC9 4 GLY B 20 ? GLY B 244 . ? 1_555 ? 34 AC9 4 HIS B 22 ? HIS B 246 . ? 1_555 ? 35 BC1 4 ASP A 18 ? ASP A 242 . ? 1_555 ? 36 BC1 4 GLY A 19 ? GLY A 243 . ? 1_555 ? 37 BC1 4 SER B 101 ? SER B 324 . ? 1_555 ? 38 BC1 4 ARG B 170 ? ARG B 393 . ? 1_555 ? 39 BC2 6 SER A 121 ? SER A 344 . ? 1_555 ? 40 BC2 6 ILE A 251 ? ILE A 474 . ? 1_555 ? 41 BC2 6 SER A 252 ? SER A 475 . ? 1_555 ? 42 BC2 6 VAL A 253 ? VAL A 476 . ? 1_555 ? 43 BC2 6 HOH U . ? HOH A 817 . ? 1_555 ? 44 BC2 6 HOH U . ? HOH A 749 . ? 1_555 ? 45 BC3 14 LYS A 11 ? LYS A 235 . ? 1_555 ? 46 BC3 14 LEU A 30 A LEU A 253 . ? 1_555 ? 47 BC3 14 LEU A 32 ? LEU A 255 . ? 1_555 ? 48 BC3 14 GLN A 71 ? GLN A 294 . ? 1_555 ? 49 BC3 14 GLU A 73 ? GLU A 296 . ? 1_555 ? 50 BC3 14 HOH U . ? HOH A 746 . ? 1_555 ? 51 BC3 14 HOH V . ? HOH B 719 . ? 1_555 ? 52 BC3 14 HOH V . ? HOH B 701 . ? 1_555 ? 53 BC3 14 LYS B 11 ? LYS B 235 . ? 1_555 ? 54 BC3 14 LEU B 30 A LEU B 253 . ? 1_555 ? 55 BC3 14 LEU B 32 ? LEU B 255 . ? 1_555 ? 56 BC3 14 GLN B 71 ? GLN B 294 . ? 1_555 ? 57 BC3 14 GLU B 73 ? GLU B 296 . ? 1_555 ? 58 BC3 14 HOH V . ? HOH B 919 . ? 1_555 ? 59 BC4 4 GLY B 183 ? GLY B 406 . ? 2_555 ? 60 BC4 4 THR B 184 ? THR B 407 . ? 2_555 ? 61 BC4 4 ARG B 185 ? ARG B 408 . ? 2_555 ? 62 BC4 4 HOH V . ? HOH B 775 . ? 1_555 ? 63 BC5 6 ASP B 139 ? ASP B 362 . ? 1_555 ? 64 BC5 6 GLN B 169 ? GLN B 392 . ? 1_555 ? 65 BC5 6 ASN B 171 ? ASN B 394 . ? 1_555 ? 66 BC5 6 THR B 173 ? THR B 396 . ? 1_555 ? 67 BC5 6 NAG Q . ? NAG B 605 . ? 1_555 ? 68 BC5 6 HOH V . ? HOH B 843 . ? 1_555 ? 69 BC6 7 TYR B 116 ? TYR B 339 . ? 1_555 ? 70 BC6 7 LEU B 136 ? LEU B 359 . ? 1_555 ? 71 BC6 7 VAL B 138 ? VAL B 361 . ? 1_555 ? 72 BC6 7 THR B 175 ? THR B 398 . ? 1_555 ? 73 BC6 7 NAG P . ? NAG B 604 . ? 1_555 ? 74 BC6 7 BMA R . ? BMA B 606 . ? 1_555 ? 75 BC6 7 HOH V . ? HOH B 853 . ? 1_555 ? 76 BC7 4 TYR B 116 ? TYR B 339 . ? 1_555 ? 77 BC7 4 NAG Q . ? NAG B 605 . ? 1_555 ? 78 BC7 4 MAN S . ? MAN B 607 . ? 1_555 ? 79 BC7 4 MAN T . ? MAN B 608 . ? 1_555 ? 80 BC8 2 SER B 118 ? SER B 341 . ? 1_555 ? 81 BC8 2 BMA R . ? BMA B 606 . ? 1_555 ? 82 BC9 1 BMA R . ? BMA B 606 . ? 1_555 ? # _database_PDB_matrix.entry_id 2WQR _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 2WQR _atom_sites.fract_transf_matrix[1][1] 0.007663 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.013283 _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] 0.012635 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ASP A 1 4 ? 41.290 0.635 64.105 1.00 93.15 ? 228 ASP A N 1 ATOM 2 C CA . ASP A 1 4 ? 40.340 -0.044 64.978 1.00 94.29 ? 228 ASP A CA 1 ATOM 3 C C . ASP A 1 4 ? 39.080 0.789 65.192 1.00 90.05 ? 228 ASP A C 1 ATOM 4 O O . ASP A 1 4 ? 37.967 0.262 65.192 1.00 94.00 ? 228 ASP A O 1 ATOM 5 C CB . ASP A 1 4 ? 40.983 -0.355 66.329 1.00 99.79 ? 228 ASP A CB 1 ATOM 6 C CG . ASP A 1 4 ? 40.002 -0.966 67.310 1.00 105.77 ? 228 ASP A CG 1 ATOM 7 O OD1 . ASP A 1 4 ? 39.168 -1.791 66.878 1.00 106.35 ? 228 ASP A OD1 1 ATOM 8 O OD2 . ASP A 1 4 ? 40.062 -0.623 68.510 1.00 108.24 ? 228 ASP A OD2 1 ATOM 9 N N . PHE A 1 5 ? 39.269 2.091 65.380 1.00 76.52 ? 229 PHE A N 1 ATOM 10 C CA . PHE A 1 5 ? 38.163 3.013 65.618 1.00 58.71 ? 229 PHE A CA 1 ATOM 11 C C . PHE A 1 5 ? 37.534 3.467 64.303 1.00 51.59 ? 229 PHE A C 1 ATOM 12 O O . PHE A 1 5 ? 38.231 3.916 63.393 1.00 49.80 ? 229 PHE A O 1 ATOM 13 C CB . PHE A 1 5 ? 38.659 4.217 66.423 1.00 55.20 ? 229 PHE A CB 1 ATOM 14 C CG . PHE A 1 5 ? 37.659 5.336 66.536 1.00 51.47 ? 229 PHE A CG 1 ATOM 15 C CD1 . PHE A 1 5 ? 36.674 5.310 67.511 1.00 49.92 ? 229 PHE A CD1 1 ATOM 16 C CD2 . PHE A 1 5 ? 37.723 6.426 65.686 1.00 54.98 ? 229 PHE A CD2 1 ATOM 17 C CE1 . PHE A 1 5 ? 35.759 6.342 67.620 1.00 46.62 ? 229 PHE A CE1 1 ATOM 18 C CE2 . PHE A 1 5 ? 36.811 7.464 65.792 1.00 57.80 ? 229 PHE A CE2 1 ATOM 19 C CZ . PHE A 1 5 ? 35.828 7.419 66.761 1.00 51.05 ? 229 PHE A CZ 1 ATOM 20 N N . THR A 1 6 ? 36.212 3.343 64.207 1.00 41.87 ? 230 THR A N 1 ATOM 21 C CA . THR A 1 6 ? 35.487 3.754 63.010 1.00 45.38 ? 230 THR A CA 1 ATOM 22 C C . THR A 1 6 ? 34.601 4.960 63.307 1.00 40.33 ? 230 THR A C 1 ATOM 23 O O . THR A 1 6 ? 33.607 4.850 64.028 1.00 34.99 ? 230 THR A O 1 ATOM 24 C CB . THR A 1 6 ? 34.628 2.606 62.457 1.00 47.47 ? 230 THR A CB 1 ATOM 25 O OG1 . THR A 1 6 ? 35.462 1.471 62.204 1.00 49.61 ? 230 THR A OG1 1 ATOM 26 C CG2 . THR A 1 6 ? 33.943 3.021 61.168 1.00 43.83 ? 230 THR A CG2 1 ATOM 27 N N . PRO A 1 7 ? 34.976 6.124 62.767 1.00 40.83 ? 231 PRO A N 1 ATOM 28 C CA . PRO A 1 7 ? 34.252 7.369 63.022 1.00 40.09 ? 231 PRO A CA 1 ATOM 29 C C . PRO A 1 7 ? 32.909 7.360 62.301 1.00 34.41 ? 231 PRO A C 1 ATOM 30 O O . PRO A 1 7 ? 32.749 6.640 61.313 1.00 32.74 ? 231 PRO A O 1 ATOM 31 C CB . PRO A 1 7 ? 35.159 8.443 62.400 1.00 42.39 ? 231 PRO A CB 1 ATOM 32 C CG . PRO A 1 7 ? 36.434 7.742 62.018 1.00 50.28 ? 231 PRO A CG 1 ATOM 33 C CD . PRO A 1 7 ? 36.076 6.314 61.811 1.00 45.64 ? 231 PRO A CD 1 ATOM 34 N N . PRO A 1 8 ? 31.950 8.156 62.791 1.00 34.51 ? 232 PRO A N 1 ATOM 35 C CA . PRO A 1 8 ? 30.666 8.257 62.100 1.00 28.34 ? 232 PRO A CA 1 ATOM 36 C C . PRO A 1 8 ? 30.813 9.035 60.794 1.00 33.15 ? 232 PRO A C 1 ATOM 37 O O . PRO A 1 8 ? 31.674 9.921 60.676 1.00 31.27 ? 232 PRO A O 1 ATOM 38 C CB . PRO A 1 8 ? 29.804 9.045 63.081 1.00 33.05 ? 232 PRO A CB 1 ATOM 39 C CG . PRO A 1 8 ? 30.780 9.830 63.911 1.00 32.45 ? 232 PRO A CG 1 ATOM 40 C CD . PRO A 1 8 ? 32.041 9.041 63.967 1.00 35.97 ? 232 PRO A CD 1 ATOM 41 N N . THR A 1 9 ? 29.991 8.677 59.816 1.00 31.52 ? 233 THR A N 1 ATOM 42 C CA . THR A 1 9 ? 29.834 9.461 58.599 1.00 32.94 ? 233 THR A CA 1 ATOM 43 C C . THR A 1 9 ? 28.354 9.787 58.473 1.00 35.51 ? 233 THR A C 1 ATOM 44 O O . THR A 1 9 ? 27.517 9.069 59.015 1.00 33.67 ? 233 THR A O 1 ATOM 45 C CB . THR A 1 9 ? 30.277 8.676 57.367 1.00 32.21 ? 233 THR A CB 1 ATOM 46 O OG1 . THR A 1 9 ? 29.472 7.497 57.243 1.00 40.00 ? 233 THR A OG1 1 ATOM 47 C CG2 . THR A 1 9 ? 31.737 8.278 57.502 1.00 37.97 ? 233 THR A CG2 1 ATOM 48 N N . VAL A 1 10 ? 28.039 10.869 57.769 1.00 26.64 ? 234 VAL A N 1 ATOM 49 C CA . VAL A 1 10 ? 26.669 11.347 57.650 1.00 25.07 ? 234 VAL A CA 1 ATOM 50 C C . VAL A 1 10 ? 26.260 11.394 56.175 1.00 31.07 ? 234 VAL A C 1 ATOM 51 O O . VAL A 1 10 ? 27.017 11.869 55.333 1.00 29.37 ? 234 VAL A O 1 ATOM 52 C CB . VAL A 1 10 ? 26.542 12.753 58.258 1.00 26.61 ? 234 VAL A CB 1 ATOM 53 C CG1 . VAL A 1 10 ? 25.097 13.215 58.268 1.00 27.27 ? 234 VAL A CG1 1 ATOM 54 C CG2 . VAL A 1 10 ? 27.122 12.769 59.687 1.00 32.59 ? 234 VAL A CG2 1 ATOM 55 N N . LYS A 1 11 ? 25.078 10.877 55.863 1.00 28.44 ? 235 LYS A N 1 ATOM 56 C CA . LYS A 1 11 ? 24.520 11.034 54.523 1.00 25.14 ? 235 LYS A CA 1 ATOM 57 C C . LYS A 1 11 ? 23.012 11.166 54.605 1.00 29.29 ? 235 LYS A C 1 ATOM 58 O O . LYS A 1 11 ? 22.373 10.590 55.486 1.00 28.57 ? 235 LYS A O 1 ATOM 59 C CB . LYS A 1 11 ? 24.916 9.869 53.614 1.00 34.20 ? 235 LYS A CB 1 ATOM 60 C CG . LYS A 1 11 ? 24.370 8.526 54.021 1.00 45.12 ? 235 LYS A CG 1 ATOM 61 C CD . LYS A 1 11 ? 24.719 7.473 52.976 1.00 60.20 ? 235 LYS A CD 1 ATOM 62 C CE . LYS A 1 11 ? 24.158 6.109 53.353 1.00 69.59 ? 235 LYS A CE 1 ATOM 63 N NZ . LYS A 1 11 ? 24.494 5.074 52.338 1.00 68.59 ? 235 LYS A NZ 1 ATOM 64 N N . ILE A 1 12 ? 22.444 11.939 53.692 1.00 22.31 ? 236 ILE A N 1 ATOM 65 C CA . ILE A 1 12 ? 21.008 12.183 53.725 1.00 23.17 ? 236 ILE A CA 1 ATOM 66 C C . ILE A 1 12 ? 20.393 11.594 52.473 1.00 29.37 ? 236 ILE A C 1 ATOM 67 O O . ILE A 1 12 ? 20.895 11.823 51.381 1.00 25.01 ? 236 ILE A O 1 ATOM 68 C CB . ILE A 1 12 ? 20.698 13.687 53.786 1.00 22.66 ? 236 ILE A CB 1 ATOM 69 C CG1 . ILE A 1 12 ? 21.349 14.320 55.020 1.00 26.23 ? 236 ILE A CG1 1 ATOM 70 C CG2 . ILE A 1 12 ? 19.181 13.931 53.819 1.00 23.03 ? 236 ILE A CG2 1 ATOM 71 C CD1 . ILE A 1 12 ? 21.171 15.835 55.094 1.00 26.13 ? 236 ILE A CD1 1 ATOM 72 N N . LEU A 1 13 ? 19.341 10.801 52.644 1.00 22.08 ? 237 LEU A N 1 ATOM 73 C CA . LEU A 1 13 ? 18.535 10.333 51.512 1.00 24.62 ? 237 LEU A CA 1 ATOM 74 C C . LEU A 1 13 ? 17.160 10.976 51.585 1.00 28.74 ? 237 LEU A C 1 ATOM 75 O O . LEU A 1 13 ? 16.778 11.515 52.621 1.00 26.07 ? 237 LEU A O 1 ATOM 76 C CB . LEU A 1 13 ? 18.401 8.810 51.527 1.00 30.76 ? 237 LEU A CB 1 ATOM 77 C CG . LEU A 1 13 ? 19.700 7.999 51.605 1.00 46.68 ? 237 LEU A CG 1 ATOM 78 C CD1 . LEU A 1 13 ? 19.403 6.512 51.542 1.00 54.26 ? 237 LEU A CD1 1 ATOM 79 C CD2 . LEU A 1 13 ? 20.652 8.393 50.489 1.00 45.72 ? 237 LEU A CD2 1 ATOM 80 N N . GLN A 1 14 ? 16.408 10.940 50.489 1.00 27.17 ? 238 GLN A N 1 ATOM 81 C CA . GLN A 1 14 ? 15.096 11.569 50.506 1.00 24.35 ? 238 GLN A CA 1 ATOM 82 C C . GLN A 1 14 ? 14.095 10.826 49.637 1.00 29.36 ? 238 GLN A C 1 ATOM 83 O O . GLN A 1 14 ? 14.488 10.097 48.732 1.00 29.31 ? 238 GLN A O 1 ATOM 84 C CB . GLN A 1 14 ? 15.218 12.999 50.015 1.00 31.39 ? 238 GLN A CB 1 ATOM 85 C CG . GLN A 1 14 ? 15.594 13.080 48.543 1.00 30.84 ? 238 GLN A CG 1 ATOM 86 C CD . GLN A 1 14 ? 16.075 14.446 48.158 1.00 38.85 ? 238 GLN A CD 1 ATOM 87 O OE1 . GLN A 1 14 ? 16.774 15.103 48.929 1.00 36.98 ? 238 GLN A OE1 1 ATOM 88 N NE2 . GLN A 1 14 ? 15.708 14.891 46.960 1.00 34.43 ? 238 GLN A NE2 1 ATOM 89 N N . SER A 1 15 ? 12.808 11.023 49.927 1.00 27.12 ? 239 SER A N 1 ATOM 90 C CA . SER A 1 15 ? 11.725 10.499 49.099 1.00 23.82 ? 239 SER A CA 1 ATOM 91 C C . SER A 1 15 ? 11.997 10.811 47.636 1.00 24.96 ? 239 SER A C 1 ATOM 92 O O . SER A 1 15 ? 12.393 11.922 47.305 1.00 30.95 ? 239 SER A O 1 ATOM 93 C CB . SER A 1 15 ? 10.401 11.156 49.495 1.00 27.15 ? 239 SER A CB 1 ATOM 94 O OG . SER A 1 15 ? 10.121 10.967 50.869 1.00 33.08 ? 239 SER A OG 1 ATOM 95 N N . SER A 1 16 ? 11.759 9.849 46.752 1.00 29.44 ? 240 SER A N 1 ATOM 96 C CA . SER A 1 16 ? 12.008 10.090 45.335 1.00 31.40 ? 240 SER A CA 1 ATOM 97 C C . SER A 1 16 ? 10.744 10.581 44.638 1.00 32.37 ? 240 SER A C 1 ATOM 98 O O . SER A 1 16 ? 9.641 10.427 45.154 1.00 31.19 ? 240 SER A O 1 ATOM 99 C CB . SER A 1 16 ? 12.533 8.827 44.650 1.00 32.40 ? 240 SER A CB 1 ATOM 100 O OG . SER A 1 16 ? 11.528 7.832 44.593 1.00 35.18 ? 240 SER A OG 1 ATOM 101 N N . CYS A 1 17 ? 10.914 11.190 43.472 1.00 34.26 ? 241 CYS A N 1 ATOM 102 C CA . CYS A 1 17 ? 9.774 11.536 42.631 1.00 32.20 ? 241 CYS A CA 1 ATOM 103 C C . CYS A 1 17 ? 9.345 10.294 41.862 1.00 36.14 ? 241 CYS A C 1 ATOM 104 O O . CYS A 1 17 ? 10.142 9.383 41.679 1.00 33.91 ? 241 CYS A O 1 ATOM 105 C CB . CYS A 1 17 ? 10.151 12.659 41.676 1.00 31.86 ? 241 CYS A CB 1 ATOM 106 S SG . CYS A 1 17 ? 10.208 14.272 42.463 1.00 33.90 ? 241 CYS A SG 1 ATOM 107 N N . ASP A 1 18 ? 8.090 10.241 41.418 1.00 36.02 ? 242 ASP A N 1 ATOM 108 C CA . ASP A 1 18 ? 7.596 9.022 40.783 1.00 36.58 ? 242 ASP A CA 1 ATOM 109 C C . ASP A 1 18 ? 8.073 8.901 39.337 1.00 36.19 ? 242 ASP A C 1 ATOM 110 O O . ASP A 1 18 ? 8.908 9.680 38.883 1.00 37.68 ? 242 ASP A O 1 ATOM 111 C CB . ASP A 1 18 ? 6.067 8.934 40.867 1.00 37.34 ? 242 ASP A CB 1 ATOM 112 C CG . ASP A 1 18 ? 5.366 10.014 40.058 1.00 43.85 ? 242 ASP A CG 1 ATOM 113 O OD1 . ASP A 1 18 ? 4.133 10.135 40.208 1.00 38.73 ? 242 ASP A OD1 1 ATOM 114 O OD2 . ASP A 1 18 ? 6.030 10.738 39.280 1.00 37.48 ? 242 ASP A OD2 1 ATOM 115 N N . GLY A 1 19 ? 7.533 7.921 38.618 1.00 38.50 ? 243 GLY A N 1 ATOM 116 C CA . GLY A 1 19 ? 7.929 7.668 37.244 1.00 46.25 ? 243 GLY A CA 1 ATOM 117 C C . GLY A 1 19 ? 7.685 8.831 36.299 1.00 48.89 ? 243 GLY A C 1 ATOM 118 O O . GLY A 1 19 ? 8.214 8.856 35.187 1.00 52.84 ? 243 GLY A O 1 ATOM 119 N N . GLY A 1 20 ? 6.885 9.798 36.737 1.00 39.83 ? 244 GLY A N 1 ATOM 120 C CA . GLY A 1 20 ? 6.600 10.970 35.932 1.00 39.93 ? 244 GLY A CA 1 ATOM 121 C C . GLY A 1 20 ? 7.420 12.178 36.336 1.00 42.88 ? 244 GLY A C 1 ATOM 122 O O . GLY A 1 20 ? 7.311 13.245 35.730 1.00 40.94 ? 244 GLY A O 1 ATOM 123 N N . GLY A 1 21 ? 8.253 12.009 37.359 1.00 34.22 ? 245 GLY A N 1 ATOM 124 C CA . GLY A 1 21 ? 9.024 13.116 37.894 1.00 34.24 ? 245 GLY A CA 1 ATOM 125 C C . GLY A 1 21 ? 8.211 14.012 38.812 1.00 36.15 ? 245 GLY A C 1 ATOM 126 O O . GLY A 1 21 ? 8.593 15.157 39.051 1.00 33.58 ? 245 GLY A O 1 ATOM 127 N N . HIS A 1 22 ? 7.088 13.495 39.313 1.00 32.26 ? 246 HIS A N 1 ATOM 128 C CA . HIS A 1 22 ? 6.228 14.237 40.234 1.00 32.26 ? 246 HIS A CA 1 ATOM 129 C C . HIS A 1 22 ? 6.643 14.017 41.691 1.00 32.93 ? 246 HIS A C 1 ATOM 130 O O . HIS A 1 22 ? 7.104 12.934 42.049 1.00 34.90 ? 246 HIS A O 1 ATOM 131 C CB . HIS A 1 22 ? 4.767 13.811 40.073 1.00 29.69 ? 246 HIS A CB 1 ATOM 132 C CG . HIS A 1 22 ? 4.238 13.974 38.681 1.00 41.34 ? 246 HIS A CG 1 ATOM 133 N ND1 . HIS A 1 22 ? 3.755 12.916 37.940 1.00 47.46 ? 246 HIS A ND1 1 ATOM 134 C CD2 . HIS A 1 22 ? 4.124 15.069 37.892 1.00 46.85 ? 246 HIS A CD2 1 ATOM 135 C CE1 . HIS A 1 22 ? 3.358 13.354 36.758 1.00 46.18 ? 246 HIS A CE1 1 ATOM 136 N NE2 . HIS A 1 22 ? 3.572 14.656 36.702 1.00 47.41 ? 246 HIS A NE2 1 ATOM 137 N N . PHE A 1 23 ? 6.466 15.042 42.523 1.00 34.92 ? 247 PHE A N 1 ATOM 138 C CA . PHE A 1 23 ? 6.775 14.942 43.955 1.00 33.00 ? 247 PHE A CA 1 ATOM 139 C C . PHE A 1 23 ? 5.636 14.263 44.703 1.00 36.04 ? 247 PHE A C 1 ATOM 140 O O . PHE A 1 23 ? 4.465 14.455 44.366 1.00 33.27 ? 247 PHE A O 1 ATOM 141 C CB . PHE A 1 23 ? 6.988 16.330 44.571 1.00 26.85 ? 247 PHE A CB 1 ATOM 142 C CG . PHE A 1 23 ? 8.258 17.006 44.142 1.00 33.18 ? 247 PHE A CG 1 ATOM 143 C CD1 . PHE A 1 23 ? 8.233 18.030 43.201 1.00 35.81 ? 247 PHE A CD1 1 ATOM 144 C CD2 . PHE A 1 23 ? 9.474 16.630 44.684 1.00 36.41 ? 247 PHE A CD2 1 ATOM 145 C CE1 . PHE A 1 23 ? 9.400 18.658 42.803 1.00 42.19 ? 247 PHE A CE1 1 ATOM 146 C CE2 . PHE A 1 23 ? 10.647 17.252 44.292 1.00 33.64 ? 247 PHE A CE2 1 ATOM 147 C CZ . PHE A 1 23 ? 10.613 18.269 43.351 1.00 42.03 ? 247 PHE A CZ 1 ATOM 148 N N . PRO A 1 24 ? 5.972 13.470 45.732 1.00 35.16 ? 248 PRO A N 1 ATOM 149 C CA . PRO A 1 24 ? 4.928 12.911 46.598 1.00 29.70 ? 248 PRO A CA 1 ATOM 150 C C . PRO A 1 24 ? 4.313 14.006 47.472 1.00 32.77 ? 248 PRO A C 1 ATOM 151 O O . PRO A 1 24 ? 4.823 15.127 47.493 1.00 35.03 ? 248 PRO A O 1 ATOM 152 C CB . PRO A 1 24 ? 5.677 11.877 47.449 1.00 33.10 ? 248 PRO A CB 1 ATOM 153 C CG . PRO A 1 24 ? 7.120 12.281 47.391 1.00 34.12 ? 248 PRO A CG 1 ATOM 154 C CD . PRO A 1 24 ? 7.327 13.011 46.095 1.00 33.12 ? 248 PRO A CD 1 ATOM 155 N N . PRO A 1 25 ? 3.212 13.696 48.169 1.00 38.15 ? 249 PRO A N 1 ATOM 156 C CA . PRO A 1 25 ? 2.513 14.679 49.009 1.00 38.94 ? 249 PRO A CA 1 ATOM 157 C C . PRO A 1 25 ? 3.361 15.170 50.184 1.00 34.51 ? 249 PRO A C 1 ATOM 158 O O . PRO A 1 25 ? 3.260 16.333 50.572 1.00 34.50 ? 249 PRO A O 1 ATOM 159 C CB . PRO A 1 25 ? 1.301 13.890 49.523 1.00 41.92 ? 249 PRO A CB 1 ATOM 160 C CG . PRO A 1 25 ? 1.688 12.456 49.351 1.00 50.29 ? 249 PRO A CG 1 ATOM 161 C CD . PRO A 1 25 ? 2.452 12.442 48.076 1.00 44.91 ? 249 PRO A CD 1 ATOM 162 N N . THR A 1 26 ? 4.172 14.288 50.756 1.00 32.27 ? 250 THR A N 1 ATOM 163 C CA . THR A 1 26 ? 5.141 14.706 51.763 1.00 37.58 ? 250 THR A CA 1 ATOM 164 C C . THR A 1 26 ? 6.525 14.193 51.411 1.00 33.99 ? 250 THR A C 1 ATOM 165 O O . THR A 1 26 ? 6.678 13.218 50.672 1.00 34.05 ? 250 THR A O 1 ATOM 166 C CB . THR A 1 26 ? 4.793 14.200 53.178 1.00 36.99 ? 250 THR A CB 1 ATOM 167 O OG1 . THR A 1 26 ? 4.914 12.771 53.221 1.00 34.98 ? 250 THR A OG1 1 ATOM 168 C CG2 . THR A 1 26 ? 3.385 14.627 53.578 1.00 39.37 ? 250 THR A CG2 1 ATOM 169 N N . ILE A 1 27 ? 7.535 14.848 51.962 1.00 33.33 ? 251 ILE A N 1 ATOM 170 C CA . ILE A 1 27 ? 8.908 14.494 51.675 1.00 29.88 ? 251 ILE A CA 1 ATOM 171 C C . ILE A 1 27 ? 9.578 14.014 52.952 1.00 30.14 ? 251 ILE A C 1 ATOM 172 O O . ILE A 1 27 ? 9.577 14.711 53.969 1.00 29.65 ? 251 ILE A O 1 ATOM 173 C CB . ILE A 1 27 ? 9.685 15.702 51.105 1.00 31.49 ? 251 ILE A CB 1 ATOM 174 C CG1 . ILE A 1 27 ? 8.996 16.231 49.841 1.00 34.89 ? 251 ILE A CG1 1 ATOM 175 C CG2 . ILE A 1 27 ? 11.142 15.325 50.827 1.00 31.73 ? 251 ILE A CG2 1 ATOM 176 C CD1 . ILE A 1 27 ? 8.811 15.186 48.782 1.00 40.72 ? 251 ILE A CD1 1 ATOM 177 N N . GLN A 1 28 ? 10.132 12.811 52.903 1.00 24.28 ? 252 GLN A N 1 ATOM 178 C CA . GLN A 1 28 ? 10.921 12.318 54.016 1.00 26.60 ? 252 GLN A CA 1 ATOM 179 C C . GLN A 1 28 ? 12.391 12.554 53.731 1.00 28.82 ? 252 GLN A C 1 ATOM 180 O O . GLN A 1 28 ? 12.865 12.288 52.629 1.00 27.22 ? 252 GLN A O 1 ATOM 181 C CB . GLN A 1 28 ? 10.679 10.830 54.253 1.00 31.75 ? 252 GLN A CB 1 ATOM 182 C CG . GLN A 1 28 ? 9.424 10.538 55.043 1.00 38.59 ? 252 GLN A CG 1 ATOM 183 C CD . GLN A 1 28 ? 8.172 10.770 54.229 1.00 58.87 ? 252 GLN A CD 1 ATOM 184 O OE1 . GLN A 1 28 ? 7.262 11.483 54.656 1.00 70.41 ? 252 GLN A OE1 1 ATOM 185 N NE2 . GLN A 1 28 ? 8.121 10.177 53.039 1.00 53.72 ? 252 GLN A NE2 1 ATOM 186 N N . LEU A 1 29 ? 13.099 13.079 54.724 1.00 23.83 ? 253 LEU A N 1 ATOM 187 C CA . LEU A 1 29 ? 14.553 13.114 54.680 1.00 21.31 ? 253 LEU A CA 1 ATOM 188 C C . LEU A 1 29 ? 15.056 12.093 55.686 1.00 29.80 ? 253 LEU A C 1 ATOM 189 O O . LEU A 1 29 ? 14.571 12.025 56.816 1.00 26.36 ? 253 LEU A O 1 ATOM 190 C CB . LEU A 1 29 ? 15.092 14.506 55.039 1.00 20.84 ? 253 LEU A CB 1 ATOM 191 C CG . LEU A 1 29 ? 14.628 15.666 54.149 1.00 22.78 ? 253 LEU A CG 1 ATOM 192 C CD1 . LEU A 1 29 ? 15.286 16.990 54.563 1.00 26.06 ? 253 LEU A CD1 1 ATOM 193 C CD2 . LEU A 1 29 ? 14.942 15.360 52.690 1.00 23.55 ? 253 LEU A CD2 1 ATOM 194 N N . LEU A 1 30 A 16.024 11.290 55.276 1.00 23.62 ? 253 LEU A N 1 ATOM 195 C CA . LEU A 1 30 A 16.537 10.242 56.151 1.00 27.16 ? 253 LEU A CA 1 ATOM 196 C C . LEU A 1 30 A 18.020 10.459 56.346 1.00 27.36 ? 253 LEU A C 1 ATOM 197 O O . LEU A 1 30 A 18.801 10.365 55.400 1.00 25.33 ? 253 LEU A O 1 ATOM 198 C CB . LEU A 1 30 A 16.300 8.869 55.529 1.00 23.67 ? 253 LEU A CB 1 ATOM 199 C CG . LEU A 1 30 A 16.861 7.645 56.258 1.00 26.26 ? 253 LEU A CG 1 ATOM 200 C CD1 . LEU A 1 30 A 16.146 7.445 57.589 1.00 30.62 ? 253 LEU A CD1 1 ATOM 201 C CD2 . LEU A 1 30 A 16.715 6.401 55.377 1.00 32.94 ? 253 LEU A CD2 1 ATOM 202 N N . CYS A 1 31 ? 18.404 10.767 57.574 1.00 21.56 ? 254 CYS A N 1 ATOM 203 C CA . CYS A 1 31 ? 19.810 10.953 57.884 1.00 20.98 ? 254 CYS A CA 1 ATOM 204 C C . CYS A 1 31 ? 20.397 9.669 58.437 1.00 26.72 ? 254 CYS A C 1 ATOM 205 O O . CYS A 1 31 ? 19.936 9.160 59.457 1.00 25.73 ? 254 CYS A O 1 ATOM 206 C CB . CYS A 1 31 ? 20.003 12.090 58.886 1.00 22.28 ? 254 CYS A CB 1 ATOM 207 S SG . CYS A 1 31 ? 21.766 12.451 59.142 1.00 26.64 ? 254 CYS A SG 1 ATOM 208 N N . LEU A 1 32 ? 21.415 9.153 57.753 1.00 23.46 ? 255 LEU A N 1 ATOM 209 C CA . LEU A 1 32 ? 22.018 7.872 58.078 1.00 22.70 ? 255 LEU A CA 1 ATOM 210 C C . LEU A 1 32 ? 23.430 8.058 58.598 1.00 24.16 ? 255 LEU A C 1 ATOM 211 O O . LEU A 1 32 ? 24.276 8.642 57.916 1.00 25.67 ? 255 LEU A O 1 ATOM 212 C CB . LEU A 1 32 ? 22.087 6.993 56.833 1.00 27.38 ? 255 LEU A CB 1 ATOM 213 C CG . LEU A 1 32 ? 20.765 6.535 56.224 1.00 28.54 ? 255 LEU A CG 1 ATOM 214 C CD1 . LEU A 1 32 ? 21.033 5.795 54.923 1.00 34.28 ? 255 LEU A CD1 1 ATOM 215 C CD2 . LEU A 1 32 ? 20.036 5.658 57.211 1.00 32.93 ? 255 LEU A CD2 1 ATOM 216 N N . VAL A 1 33 ? 23.678 7.544 59.798 1.00 21.69 ? 256 VAL A N 1 ATOM 217 C CA . VAL A 1 33 ? 25.020 7.486 60.370 1.00 24.09 ? 256 VAL A CA 1 ATOM 218 C C . VAL A 1 33 ? 25.391 6.005 60.492 1.00 32.15 ? 256 VAL A C 1 ATOM 219 O O . VAL A 1 33 ? 25.075 5.359 61.492 1.00 31.69 ? 256 VAL A O 1 ATOM 220 C CB . VAL A 1 33 ? 25.053 8.121 61.777 1.00 30.60 ? 256 VAL A CB 1 ATOM 221 C CG1 . VAL A 1 33 ? 26.499 8.291 62.247 1.00 28.18 ? 256 VAL A CG1 1 ATOM 222 C CG2 . VAL A 1 33 ? 24.322 9.454 61.781 1.00 34.81 ? 256 VAL A CG2 1 ATOM 223 N N . SER A 1 34 ? 26.043 5.455 59.473 1.00 36.27 ? 257 SER A N 1 ATOM 224 C CA . SER A 1 34 ? 26.125 3.996 59.369 1.00 39.88 ? 257 SER A CA 1 ATOM 225 C C . SER A 1 34 ? 27.495 3.416 59.715 1.00 37.54 ? 257 SER A C 1 ATOM 226 O O . SER A 1 34 ? 28.517 3.875 59.213 1.00 45.29 ? 257 SER A O 1 ATOM 227 C CB . SER A 1 34 ? 25.692 3.523 57.970 1.00 48.65 ? 257 SER A CB 1 ATOM 228 O OG . SER A 1 34 ? 24.318 3.790 57.721 1.00 46.81 ? 257 SER A OG 1 ATOM 229 N N . GLY A 1 35 ? 27.490 2.390 60.562 1.00 37.63 ? 258 GLY A N 1 ATOM 230 C CA . GLY A 1 35 ? 28.690 1.654 60.914 1.00 32.53 ? 258 GLY A CA 1 ATOM 231 C C . GLY A 1 35 ? 29.758 2.477 61.608 1.00 30.95 ? 258 GLY A C 1 ATOM 232 O O . GLY A 1 35 ? 30.768 2.825 61.006 1.00 37.25 ? 258 GLY A O 1 ATOM 233 N N . TYR A 1 36 ? 29.555 2.776 62.884 1.00 30.55 ? 259 TYR A N 1 ATOM 234 C CA . TYR A 1 36 ? 30.544 3.550 63.620 1.00 30.34 ? 259 TYR A CA 1 ATOM 235 C C . TYR A 1 36 ? 30.797 2.934 64.995 1.00 31.87 ? 259 TYR A C 1 ATOM 236 O O . TYR A 1 36 ? 29.996 2.143 65.494 1.00 32.80 ? 259 TYR A O 1 ATOM 237 C CB . TYR A 1 36 ? 30.115 5.023 63.733 1.00 29.36 ? 259 TYR A CB 1 ATOM 238 C CG . TYR A 1 36 ? 28.884 5.219 64.580 1.00 34.29 ? 259 TYR A CG 1 ATOM 239 C CD1 . TYR A 1 36 ? 28.991 5.503 65.935 1.00 28.67 ? 259 TYR A CD1 1 ATOM 240 C CD2 . TYR A 1 36 ? 27.612 5.091 64.034 1.00 31.02 ? 259 TYR A CD2 1 ATOM 241 C CE1 . TYR A 1 36 ? 27.874 5.664 66.724 1.00 32.81 ? 259 TYR A CE1 1 ATOM 242 C CE2 . TYR A 1 36 ? 26.480 5.253 64.819 1.00 29.57 ? 259 TYR A CE2 1 ATOM 243 C CZ . TYR A 1 36 ? 26.620 5.536 66.163 1.00 32.55 ? 259 TYR A CZ 1 ATOM 244 O OH . TYR A 1 36 ? 25.512 5.689 66.960 1.00 26.96 ? 259 TYR A OH 1 ATOM 245 N N . THR A 1 37 ? 31.934 3.273 65.591 1.00 30.57 ? 260 THR A N 1 ATOM 246 C CA . THR A 1 37 ? 32.255 2.796 66.927 1.00 32.79 ? 260 THR A CA 1 ATOM 247 C C . THR A 1 37 ? 31.238 3.362 67.918 1.00 37.68 ? 260 THR A C 1 ATOM 248 O O . THR A 1 37 ? 31.023 4.576 67.974 1.00 34.13 ? 260 THR A O 1 ATOM 249 C CB . THR A 1 37 ? 33.692 3.200 67.336 1.00 34.93 ? 260 THR A CB 1 ATOM 250 O OG1 . THR A 1 37 ? 34.633 2.613 66.425 1.00 43.07 ? 260 THR A OG1 1 ATOM 251 C CG2 . THR A 1 37 ? 34.001 2.736 68.748 1.00 39.88 ? 260 THR A CG2 1 ATOM 252 N N . PRO A 1 38 ? 30.586 2.480 68.684 1.00 32.12 ? 261 PRO A N 1 ATOM 253 C CA . PRO A 1 38 ? 29.534 2.926 69.599 1.00 35.46 ? 261 PRO A CA 1 ATOM 254 C C . PRO A 1 38 ? 30.006 4.029 70.543 1.00 44.16 ? 261 PRO A C 1 ATOM 255 O O . PRO A 1 38 ? 31.169 4.056 70.967 1.00 38.21 ? 261 PRO A O 1 ATOM 256 C CB . PRO A 1 38 ? 29.185 1.649 70.372 1.00 38.90 ? 261 PRO A CB 1 ATOM 257 C CG . PRO A 1 38 ? 29.481 0.556 69.401 1.00 32.17 ? 261 PRO A CG 1 ATOM 258 C CD . PRO A 1 38 ? 30.693 1.011 68.640 1.00 34.62 ? 261 PRO A CD 1 ATOM 259 N N . GLY A 1 39 ? 29.097 4.942 70.860 1.00 36.57 ? 262 GLY A N 1 ATOM 260 C CA . GLY A 1 39 ? 29.397 6.039 71.761 1.00 34.54 ? 262 GLY A CA 1 ATOM 261 C C . GLY A 1 39 ? 28.177 6.921 71.887 1.00 34.63 ? 262 GLY A C 1 ATOM 262 O O . GLY A 1 39 ? 27.106 6.578 71.384 1.00 36.52 ? 262 GLY A O 1 ATOM 263 N N . THR A 1 40 ? 28.328 8.064 72.542 1.00 25.14 ? 263 THR A N 1 ATOM 264 C CA . THR A 1 40 ? 27.174 8.926 72.765 1.00 20.75 ? 263 THR A CA 1 ATOM 265 C C . THR A 1 40 ? 26.828 9.597 71.437 1.00 24.06 ? 263 THR A C 1 ATOM 266 O O . THR A 1 40 ? 27.717 10.064 70.720 1.00 28.51 ? 263 THR A O 1 ATOM 267 C CB . THR A 1 40 ? 27.445 9.969 73.860 1.00 25.29 ? 263 THR A CB 1 ATOM 268 O OG1 . THR A 1 40 ? 28.483 10.855 73.435 1.00 32.16 ? 263 THR A OG1 1 ATOM 269 C CG2 . THR A 1 40 ? 27.872 9.274 75.167 1.00 26.18 ? 263 THR A CG2 1 ATOM 270 N N . ILE A 1 41 ? 25.545 9.613 71.086 1.00 23.97 ? 264 ILE A N 1 ATOM 271 C CA . ILE A 1 41 ? 25.151 10.205 69.816 1.00 20.32 ? 264 ILE A CA 1 ATOM 272 C C . ILE A 1 41 ? 23.854 10.997 69.917 1.00 28.82 ? 264 ILE A C 1 ATOM 273 O O . ILE A 1 41 ? 22.940 10.639 70.660 1.00 23.31 ? 264 ILE A O 1 ATOM 274 C CB . ILE A 1 41 ? 25.060 9.154 68.696 1.00 22.42 ? 264 ILE A CB 1 ATOM 275 C CG1 . ILE A 1 41 ? 25.055 9.844 67.323 1.00 32.21 ? 264 ILE A CG1 1 ATOM 276 C CG2 . ILE A 1 41 ? 23.823 8.261 68.870 1.00 23.25 ? 264 ILE A CG2 1 ATOM 277 C CD1 . ILE A 1 41 ? 25.752 9.064 66.255 1.00 28.64 ? 264 ILE A CD1 1 ATOM 278 N N . GLN A 1 42 ? 23.795 12.093 69.172 1.00 24.82 ? 265 GLN A N 1 ATOM 279 C CA . GLN A 1 42 ? 22.571 12.873 69.068 1.00 24.21 ? 265 GLN A CA 1 ATOM 280 C C . GLN A 1 42 ? 22.413 13.308 67.620 1.00 27.74 ? 265 GLN A C 1 ATOM 281 O O . GLN A 1 42 ? 23.394 13.685 66.989 1.00 21.24 ? 265 GLN A O 1 ATOM 282 C CB . GLN A 1 42 ? 22.660 14.102 69.970 1.00 24.95 ? 265 GLN A CB 1 ATOM 283 C CG . GLN A 1 42 ? 21.434 15.002 69.876 1.00 30.27 ? 265 GLN A CG 1 ATOM 284 C CD . GLN A 1 42 ? 21.430 16.091 70.932 1.00 34.03 ? 265 GLN A CD 1 ATOM 285 O OE1 . GLN A 1 42 ? 22.368 16.212 71.725 1.00 30.67 ? 265 GLN A OE1 1 ATOM 286 N NE2 . GLN A 1 42 ? 20.376 16.897 70.940 1.00 40.42 ? 265 GLN A NE2 1 ATOM 287 N N . ILE A 1 43 ? 21.192 13.240 67.096 1.00 21.58 ? 266 ILE A N 1 ATOM 288 C CA . ILE A 1 43 ? 20.903 13.751 65.759 1.00 22.13 ? 266 ILE A CA 1 ATOM 289 C C . ILE A 1 43 ? 19.877 14.868 65.879 1.00 24.71 ? 266 ILE A C 1 ATOM 290 O O . ILE A 1 43 ? 18.782 14.666 66.405 1.00 23.78 ? 266 ILE A O 1 ATOM 291 C CB . ILE A 1 43 ? 20.382 12.654 64.813 1.00 29.08 ? 266 ILE A CB 1 ATOM 292 C CG1 . ILE A 1 43 ? 21.477 11.630 64.528 1.00 33.86 ? 266 ILE A CG1 1 ATOM 293 C CG2 . ILE A 1 43 ? 19.919 13.250 63.473 1.00 28.03 ? 266 ILE A CG2 1 ATOM 294 C CD1 . ILE A 1 43 ? 21.119 10.680 63.397 1.00 36.86 ? 266 ILE A CD1 1 ATOM 295 N N . THR A 1 44 ? 20.253 16.053 65.417 1.00 20.92 ? 267 THR A N 1 ATOM 296 C CA . THR A 1 44 ? 19.384 17.220 65.454 1.00 22.62 ? 267 THR A CA 1 ATOM 297 C C . THR A 1 44 ? 19.181 17.687 64.012 1.00 25.75 ? 267 THR A C 1 ATOM 298 O O . THR A 1 44 ? 20.127 17.670 63.220 1.00 26.06 ? 267 THR A O 1 ATOM 299 C CB . THR A 1 44 ? 20.036 18.362 66.256 1.00 26.57 ? 267 THR A CB 1 ATOM 300 O OG1 . THR A 1 44 ? 20.146 17.989 67.642 1.00 28.49 ? 267 THR A OG1 1 ATOM 301 C CG2 . THR A 1 44 ? 19.215 19.635 66.134 1.00 28.79 ? 267 THR A CG2 1 ATOM 302 N N . TRP A 1 45 ? 17.964 18.098 63.664 1.00 22.04 ? 268 TRP A N 1 ATOM 303 C CA . TRP A 1 45 ? 17.714 18.683 62.337 1.00 21.14 ? 268 TRP A CA 1 ATOM 304 C C . TRP A 1 45 ? 17.620 20.205 62.432 1.00 23.94 ? 268 TRP A C 1 ATOM 305 O O . TRP A 1 45 ? 16.979 20.732 63.348 1.00 22.88 ? 268 TRP A O 1 ATOM 306 C CB . TRP A 1 45 ? 16.401 18.159 61.751 1.00 23.29 ? 268 TRP A CB 1 ATOM 307 C CG . TRP A 1 45 ? 16.461 16.759 61.282 1.00 21.55 ? 268 TRP A CG 1 ATOM 308 C CD1 . TRP A 1 45 ? 16.098 15.638 61.981 1.00 24.39 ? 268 TRP A CD1 1 ATOM 309 C CD2 . TRP A 1 45 ? 16.908 16.308 60.000 1.00 22.21 ? 268 TRP A CD2 1 ATOM 310 N NE1 . TRP A 1 45 ? 16.287 14.520 61.206 1.00 25.24 ? 268 TRP A NE1 1 ATOM 311 C CE2 . TRP A 1 45 ? 16.788 14.903 59.987 1.00 25.86 ? 268 TRP A CE2 1 ATOM 312 C CE3 . TRP A 1 45 ? 17.407 16.958 58.861 1.00 21.81 ? 268 TRP A CE3 1 ATOM 313 C CZ2 . TRP A 1 45 ? 17.140 14.133 58.874 1.00 29.27 ? 268 TRP A CZ2 1 ATOM 314 C CZ3 . TRP A 1 45 ? 17.755 16.191 57.757 1.00 26.77 ? 268 TRP A CZ3 1 ATOM 315 C CH2 . TRP A 1 45 ? 17.619 14.792 57.773 1.00 28.50 ? 268 TRP A CH2 1 ATOM 316 N N . LEU A 1 46 ? 18.264 20.907 61.499 1.00 20.93 ? 269 LEU A N 1 ATOM 317 C CA . LEU A 1 46 ? 18.113 22.352 61.378 1.00 21.26 ? 269 LEU A CA 1 ATOM 318 C C . LEU A 1 46 ? 17.340 22.696 60.104 1.00 21.25 ? 269 LEU A C 1 ATOM 319 O O . LEU A 1 46 ? 17.535 22.070 59.066 1.00 21.73 ? 269 LEU A O 1 ATOM 320 C CB . LEU A 1 46 ? 19.475 23.037 61.288 1.00 23.00 ? 269 LEU A CB 1 ATOM 321 C CG . LEU A 1 46 ? 20.568 22.631 62.274 1.00 23.86 ? 269 LEU A CG 1 ATOM 322 C CD1 . LEU A 1 46 ? 21.816 23.471 62.002 1.00 28.05 ? 269 LEU A CD1 1 ATOM 323 C CD2 . LEU A 1 46 ? 20.080 22.792 63.710 1.00 19.97 ? 269 LEU A CD2 1 ATOM 324 N N . GLU A 1 47 ? 16.482 23.701 60.193 1.00 23.38 ? 270 GLU A N 1 ATOM 325 C CA . GLU A 1 47 ? 15.805 24.248 59.025 1.00 22.43 ? 270 GLU A CA 1 ATOM 326 C C . GLU A 1 47 ? 16.321 25.677 58.896 1.00 20.71 ? 270 GLU A C 1 ATOM 327 O O . GLU A 1 47 ? 16.088 26.503 59.782 1.00 24.05 ? 270 GLU A O 1 ATOM 328 C CB . GLU A 1 47 ? 14.288 24.246 59.243 1.00 24.16 ? 270 GLU A CB 1 ATOM 329 C CG . GLU A 1 47 ? 13.496 24.902 58.121 1.00 25.77 ? 270 GLU A CG 1 ATOM 330 C CD . GLU A 1 47 ? 11.994 24.773 58.328 1.00 36.38 ? 270 GLU A CD 1 ATOM 331 O OE1 . GLU A 1 47 ? 11.277 24.570 57.333 1.00 48.35 ? 270 GLU A OE1 1 ATOM 332 O OE2 . GLU A 1 47 ? 11.532 24.846 59.487 1.00 39.03 ? 270 GLU A OE2 1 ATOM 333 N N . ASP A 1 48 ? 17.041 25.957 57.816 1.00 23.68 ? 271 ASP A N 1 ATOM 334 C CA . ASP A 1 48 ? 17.688 27.253 57.649 1.00 27.56 ? 271 ASP A CA 1 ATOM 335 C C . ASP A 1 48 ? 18.434 27.678 58.920 1.00 25.52 ? 271 ASP A C 1 ATOM 336 O O . ASP A 1 48 ? 18.288 28.799 59.408 1.00 25.43 ? 271 ASP A O 1 ATOM 337 C CB . ASP A 1 48 ? 16.667 28.296 57.211 1.00 26.07 ? 271 ASP A CB 1 ATOM 338 C CG . ASP A 1 48 ? 16.272 28.142 55.735 1.00 35.39 ? 271 ASP A CG 1 ATOM 339 O OD1 . ASP A 1 48 ? 17.010 27.478 54.973 1.00 29.50 ? 271 ASP A OD1 1 ATOM 340 O OD2 . ASP A 1 48 ? 15.223 28.685 55.340 1.00 33.88 ? 271 ASP A OD2 1 ATOM 341 N N . GLY A 1 49 ? 19.226 26.753 59.454 1.00 18.84 ? 272 GLY A N 1 ATOM 342 C CA . GLY A 1 49 ? 20.097 27.048 60.580 1.00 24.01 ? 272 GLY A CA 1 ATOM 343 C C . GLY A 1 49 ? 19.443 27.012 61.948 1.00 23.77 ? 272 GLY A C 1 ATOM 344 O O . GLY A 1 49 ? 20.139 27.179 62.950 1.00 26.39 ? 272 GLY A O 1 ATOM 345 N N . GLN A 1 50 ? 18.124 26.805 62.004 1.00 23.11 ? 273 GLN A N 1 ATOM 346 C CA . GLN A 1 50 ? 17.418 26.765 63.298 1.00 25.94 ? 273 GLN A CA 1 ATOM 347 C C . GLN A 1 50 ? 17.016 25.352 63.686 1.00 26.72 ? 273 GLN A C 1 ATOM 348 O O . GLN A 1 50 ? 16.559 24.584 62.844 1.00 21.72 ? 273 GLN A O 1 ATOM 349 C CB . GLN A 1 50 ? 16.169 27.645 63.291 1.00 28.34 ? 273 GLN A CB 1 ATOM 350 C CG . GLN A 1 50 ? 16.436 29.121 63.049 1.00 26.58 ? 273 GLN A CG 1 ATOM 351 C CD . GLN A 1 50 ? 15.155 29.936 62.997 1.00 33.01 ? 273 GLN A CD 1 ATOM 352 O OE1 . GLN A 1 50 ? 14.705 30.340 61.925 1.00 37.29 ? 273 GLN A OE1 1 ATOM 353 N NE2 . GLN A 1 50 ? 14.555 30.168 64.157 1.00 28.51 ? 273 GLN A NE2 1 ATOM 354 N N . VAL A 1 51 ? 17.168 25.019 64.968 1.00 25.06 ? 274 VAL A N 1 ATOM 355 C CA . VAL A 1 51 ? 16.821 23.686 65.452 1.00 24.63 ? 274 VAL A CA 1 ATOM 356 C C . VAL A 1 51 ? 15.332 23.416 65.290 1.00 29.20 ? 274 VAL A C 1 ATOM 357 O O . VAL A 1 51 ? 14.495 24.220 65.713 1.00 22.10 ? 274 VAL A O 1 ATOM 358 C CB . VAL A 1 51 ? 17.242 23.505 66.923 1.00 23.72 ? 274 VAL A CB 1 ATOM 359 C CG1 . VAL A 1 51 ? 16.732 22.170 67.485 1.00 30.70 ? 274 VAL A CG1 1 ATOM 360 C CG2 . VAL A 1 51 ? 18.754 23.604 67.032 1.00 24.93 ? 274 VAL A CG2 1 ATOM 361 N N . MET A 1 52 ? 15.001 22.293 64.653 1.00 27.24 ? 275 MET A N 1 ATOM 362 C CA . MET A 1 52 ? 13.605 21.935 64.431 1.00 23.01 ? 275 MET A CA 1 ATOM 363 C C . MET A 1 52 ? 13.047 21.214 65.650 1.00 27.87 ? 275 MET A C 1 ATOM 364 O O . MET A 1 52 ? 13.772 20.502 66.341 1.00 26.09 ? 275 MET A O 1 ATOM 365 C CB . MET A 1 52 ? 13.449 21.063 63.183 1.00 22.80 ? 275 MET A CB 1 ATOM 366 C CG . MET A 1 52 ? 13.918 21.744 61.908 1.00 19.43 ? 275 MET A CG 1 ATOM 367 S SD . MET A 1 52 ? 13.698 20.705 60.453 1.00 23.51 ? 275 MET A SD 1 ATOM 368 C CE . MET A 1 52 ? 11.916 20.838 60.211 1.00 21.76 ? 275 MET A CE 1 ATOM 369 N N . ASP A 1 53 ? 11.761 21.414 65.910 1.00 32.84 ? 276 ASP A N 1 ATOM 370 C CA . ASP A 1 53 ? 11.087 20.802 67.058 1.00 32.89 ? 276 ASP A CA 1 ATOM 371 C C . ASP A 1 53 ? 11.333 19.299 67.141 1.00 33.96 ? 276 ASP A C 1 ATOM 372 O O . ASP A 1 53 ? 11.273 18.592 66.133 1.00 27.70 ? 276 ASP A O 1 ATOM 373 C CB . ASP A 1 53 ? 9.581 21.069 66.984 1.00 32.80 ? 276 ASP A CB 1 ATOM 374 C CG . ASP A 1 53 ? 9.242 22.539 67.144 1.00 47.96 ? 276 ASP A CG 1 ATOM 375 O OD1 . ASP A 1 53 ? 10.062 23.281 67.732 1.00 44.72 ? 276 ASP A OD1 1 ATOM 376 O OD2 . ASP A 1 53 ? 8.153 22.951 66.687 1.00 49.49 ? 276 ASP A OD2 1 ATOM 377 N N . VAL A 1 54 ? 11.587 18.818 68.355 1.00 33.92 ? 277 VAL A N 1 ATOM 378 C CA . VAL A 1 54 ? 11.892 17.408 68.605 1.00 32.31 ? 277 VAL A CA 1 ATOM 379 C C . VAL A 1 54 ? 10.823 16.436 68.095 1.00 36.09 ? 277 VAL A C 1 ATOM 380 O O . VAL A 1 54 ? 11.131 15.301 67.725 1.00 32.84 ? 277 VAL A O 1 ATOM 381 C CB . VAL A 1 54 ? 12.147 17.163 70.117 1.00 46.60 ? 277 VAL A CB 1 ATOM 382 C CG1 . VAL A 1 54 ? 11.115 17.899 70.949 1.00 46.54 ? 277 VAL A CG1 1 ATOM 383 C CG2 . VAL A 1 54 ? 12.133 15.677 70.437 1.00 54.90 ? 277 VAL A CG2 1 ATOM 384 N N . ASP A 1 55 ? 9.566 16.871 68.059 1.00 34.94 ? 278 ASP A N 1 ATOM 385 C CA . ASP A 1 55 ? 8.490 15.966 67.660 1.00 33.70 ? 278 ASP A CA 1 ATOM 386 C C . ASP A 1 55 ? 8.422 15.714 66.149 1.00 36.03 ? 278 ASP A C 1 ATOM 387 O O . ASP A 1 55 ? 7.665 14.859 65.682 1.00 33.17 ? 278 ASP A O 1 ATOM 388 C CB . ASP A 1 55 ? 7.137 16.454 68.196 1.00 41.31 ? 278 ASP A CB 1 ATOM 389 C CG . ASP A 1 55 ? 6.673 17.743 67.544 1.00 46.27 ? 278 ASP A CG 1 ATOM 390 O OD1 . ASP A 1 55 ? 7.489 18.669 67.390 1.00 47.89 ? 278 ASP A OD1 1 ATOM 391 O OD2 . ASP A 1 55 ? 5.477 17.831 67.199 1.00 55.60 ? 278 ASP A OD2 1 ATOM 392 N N . LEU A 1 56 ? 9.225 16.447 65.388 1.00 26.03 ? 279 LEU A N 1 ATOM 393 C CA . LEU A 1 56 ? 9.213 16.326 63.930 1.00 29.64 ? 279 LEU A CA 1 ATOM 394 C C . LEU A 1 56 ? 10.082 15.195 63.389 1.00 29.06 ? 279 LEU A C 1 ATOM 395 O O . LEU A 1 56 ? 9.986 14.844 62.218 1.00 29.86 ? 279 LEU A O 1 ATOM 396 C CB . LEU A 1 56 ? 9.634 17.647 63.286 1.00 29.26 ? 279 LEU A CB 1 ATOM 397 C CG . LEU A 1 56 ? 8.688 18.799 63.620 1.00 31.04 ? 279 LEU A CG 1 ATOM 398 C CD1 . LEU A 1 56 ? 9.216 20.104 63.019 1.00 30.09 ? 279 LEU A CD1 1 ATOM 399 C CD2 . LEU A 1 56 ? 7.286 18.478 63.112 1.00 31.19 ? 279 LEU A CD2 1 ATOM 400 N N . SER A 1 57 ? 10.941 14.634 64.230 1.00 25.89 ? 280 SER A N 1 ATOM 401 C CA . SER A 1 57 ? 11.842 13.589 63.768 1.00 32.69 ? 280 SER A CA 1 ATOM 402 C C . SER A 1 57 ? 12.000 12.520 64.830 1.00 38.98 ? 280 SER A C 1 ATOM 403 O O . SER A 1 57 ? 11.808 12.769 66.024 1.00 39.63 ? 280 SER A O 1 ATOM 404 C CB . SER A 1 57 ? 13.212 14.167 63.393 1.00 24.30 ? 280 SER A CB 1 ATOM 405 O OG . SER A 1 57 ? 13.901 14.623 64.547 1.00 24.41 ? 280 SER A OG 1 ATOM 406 N N . THR A 1 58 ? 12.355 11.326 64.384 1.00 43.10 ? 281 THR A N 1 ATOM 407 C CA . THR A 1 58 ? 12.551 10.213 65.290 1.00 51.09 ? 281 THR A CA 1 ATOM 408 C C . THR A 1 58 ? 13.860 9.527 64.939 1.00 45.90 ? 281 THR A C 1 ATOM 409 O O . THR A 1 58 ? 14.080 9.136 63.785 1.00 43.47 ? 281 THR A O 1 ATOM 410 C CB . THR A 1 58 ? 11.365 9.224 65.233 1.00 63.44 ? 281 THR A CB 1 ATOM 411 O OG1 . THR A 1 58 ? 11.653 8.080 66.045 1.00 73.54 ? 281 THR A OG1 1 ATOM 412 C CG2 . THR A 1 58 ? 11.095 8.780 63.802 1.00 71.08 ? 281 THR A CG2 1 ATOM 413 N N . ALA A 1 59 ? 14.739 9.427 65.933 1.00 37.44 ? 282 ALA A N 1 ATOM 414 C CA . ALA A 1 59 ? 16.067 8.844 65.752 1.00 36.11 ? 282 ALA A CA 1 ATOM 415 C C . ALA A 1 59 ? 16.128 7.497 66.444 1.00 43.32 ? 282 ALA A C 1 ATOM 416 O O . ALA A 1 59 ? 15.490 7.299 67.474 1.00 39.48 ? 282 ALA A O 1 ATOM 417 C CB . ALA A 1 59 ? 17.136 9.765 66.316 1.00 38.88 ? 282 ALA A CB 1 ATOM 418 N N . SER A 1 60 ? 16.895 6.571 65.881 1.00 30.35 ? 283 SER A N 1 ATOM 419 C CA . SER A 1 60 ? 17.046 5.258 66.491 1.00 34.78 ? 283 SER A CA 1 ATOM 420 C C . SER A 1 60 ? 18.415 4.702 66.165 1.00 27.82 ? 283 SER A C 1 ATOM 421 O O . SER A 1 60 ? 19.015 5.062 65.152 1.00 29.82 ? 283 SER A O 1 ATOM 422 C CB . SER A 1 60 ? 15.972 4.303 65.985 1.00 40.80 ? 283 SER A CB 1 ATOM 423 O OG . SER A 1 60 ? 16.041 4.197 64.578 1.00 38.23 ? 283 SER A OG 1 ATOM 424 N N . THR A 1 61 ? 18.895 3.815 67.025 1.00 33.82 ? 284 THR A N 1 ATOM 425 C CA . THR A 1 61 ? 20.222 3.242 66.883 1.00 31.24 ? 284 THR A CA 1 ATOM 426 C C . THR A 1 61 ? 20.173 1.743 67.102 1.00 31.39 ? 284 THR A C 1 ATOM 427 O O . THR A 1 61 ? 19.464 1.260 67.990 1.00 34.09 ? 284 THR A O 1 ATOM 428 C CB . THR A 1 61 ? 21.191 3.848 67.914 1.00 33.83 ? 284 THR A CB 1 ATOM 429 O OG1 . THR A 1 61 ? 21.344 5.247 67.657 1.00 29.54 ? 284 THR A OG1 1 ATOM 430 C CG2 . THR A 1 61 ? 22.550 3.167 67.848 1.00 28.96 ? 284 THR A CG2 1 ATOM 431 N N . THR A 1 62 ? 20.926 1.011 66.287 1.00 31.17 ? 285 THR A N 1 ATOM 432 C CA . THR A 1 62 ? 21.061 -0.428 66.460 1.00 33.22 ? 285 THR A CA 1 ATOM 433 C C . THR A 1 62 ? 22.535 -0.797 66.473 1.00 36.74 ? 285 THR A C 1 ATOM 434 O O . THR A 1 62 ? 23.384 -0.027 66.019 1.00 34.07 ? 285 THR A O 1 ATOM 435 C CB . THR A 1 62 ? 20.374 -1.205 65.328 1.00 45.17 ? 285 THR A CB 1 ATOM 436 O OG1 . THR A 1 62 ? 20.967 -0.836 64.078 1.00 39.63 ? 285 THR A OG1 1 ATOM 437 C CG2 . THR A 1 62 ? 18.878 -0.896 65.294 1.00 45.33 ? 285 THR A CG2 1 ATOM 438 N N . GLN A 1 63 ? 22.831 -1.983 66.986 1.00 35.43 ? 286 GLN A N 1 ATOM 439 C CA . GLN A 1 63 ? 24.203 -2.459 67.058 1.00 39.83 ? 286 GLN A CA 1 ATOM 440 C C . GLN A 1 63 ? 24.362 -3.753 66.271 1.00 40.52 ? 286 GLN A C 1 ATOM 441 O O . GLN A 1 63 ? 23.536 -4.661 66.380 1.00 36.28 ? 286 GLN A O 1 ATOM 442 C CB . GLN A 1 63 ? 24.604 -2.687 68.515 1.00 50.26 ? 286 GLN A CB 1 ATOM 443 C CG . GLN A 1 63 ? 25.996 -3.257 68.695 1.00 59.74 ? 286 GLN A CG 1 ATOM 444 C CD . GLN A 1 63 ? 27.062 -2.183 68.692 1.00 65.79 ? 286 GLN A CD 1 ATOM 445 O OE1 . GLN A 1 63 ? 26.766 -1.003 68.891 1.00 69.57 ? 286 GLN A OE1 1 ATOM 446 N NE2 . GLN A 1 63 ? 28.315 -2.585 68.474 1.00 59.09 ? 286 GLN A NE2 1 ATOM 447 N N . GLU A 1 64 ? 25.424 -3.824 65.474 1.00 41.96 ? 287 GLU A N 1 ATOM 448 C CA . GLU A 1 64 ? 25.769 -5.041 64.750 1.00 51.47 ? 287 GLU A CA 1 ATOM 449 C C . GLU A 1 64 ? 27.259 -5.318 64.904 1.00 45.30 ? 287 GLU A C 1 ATOM 450 O O . GLU A 1 64 ? 28.098 -4.533 64.456 1.00 43.33 ? 287 GLU A O 1 ATOM 451 C CB . GLU A 1 64 ? 25.411 -4.920 63.267 1.00 58.24 ? 287 GLU A CB 1 ATOM 452 C CG . GLU A 1 64 ? 25.754 -6.163 62.454 1.00 75.10 ? 287 GLU A CG 1 ATOM 453 C CD . GLU A 1 64 ? 25.404 -6.020 60.982 1.00 90.71 ? 287 GLU A CD 1 ATOM 454 O OE1 . GLU A 1 64 ? 25.524 -4.898 60.442 1.00 90.48 ? 287 GLU A OE1 1 ATOM 455 O OE2 . GLU A 1 64 ? 25.010 -7.033 60.364 1.00 98.32 ? 287 GLU A OE2 1 ATOM 456 N N . GLY A 1 65 ? 27.589 -6.432 65.543 1.00 42.94 ? 288 GLY A N 1 ATOM 457 C CA . GLY A 1 65 ? 28.980 -6.735 65.819 1.00 44.59 ? 288 GLY A CA 1 ATOM 458 C C . GLY A 1 65 ? 29.619 -5.581 66.564 1.00 41.61 ? 288 GLY A C 1 ATOM 459 O O . GLY A 1 65 ? 29.108 -5.133 67.588 1.00 36.38 ? 288 GLY A O 1 ATOM 460 N N . GLU A 1 66 ? 30.727 -5.077 66.039 1.00 40.42 ? 289 GLU A N 1 ATOM 461 C CA . GLU A 1 66 ? 31.498 -4.068 66.749 1.00 36.70 ? 289 GLU A CA 1 ATOM 462 C C . GLU A 1 66 ? 31.052 -2.652 66.399 1.00 34.65 ? 289 GLU A C 1 ATOM 463 O O . GLU A 1 66 ? 31.649 -1.679 66.855 1.00 36.01 ? 289 GLU A O 1 ATOM 464 C CB . GLU A 1 66 ? 32.989 -4.240 66.441 1.00 50.42 ? 289 GLU A CB 1 ATOM 465 C CG . GLU A 1 66 ? 33.911 -3.967 67.623 1.00 65.30 ? 289 GLU A CG 1 ATOM 466 C CD . GLU A 1 66 ? 33.881 -5.073 68.669 1.00 66.43 ? 289 GLU A CD 1 ATOM 467 O OE1 . GLU A 1 66 ? 33.232 -6.115 68.430 1.00 63.68 ? 289 GLU A OE1 1 ATOM 468 O OE2 . GLU A 1 66 ? 34.512 -4.900 69.733 1.00 73.74 ? 289 GLU A OE2 1 ATOM 469 N N . LEU A 1 67 ? 30.004 -2.530 65.592 1.00 35.29 ? 290 LEU A N 1 ATOM 470 C CA . LEU A 1 67 ? 29.607 -1.220 65.083 1.00 35.25 ? 290 LEU A CA 1 ATOM 471 C C . LEU A 1 67 ? 28.171 -0.850 65.427 1.00 38.05 ? 290 LEU A C 1 ATOM 472 O O . LEU A 1 67 ? 27.308 -1.717 65.544 1.00 50.18 ? 290 LEU A O 1 ATOM 473 C CB . LEU A 1 67 ? 29.786 -1.180 63.567 1.00 39.28 ? 290 LEU A CB 1 ATOM 474 C CG . LEU A 1 67 ? 31.215 -1.364 63.063 1.00 39.80 ? 290 LEU A CG 1 ATOM 475 C CD1 . LEU A 1 67 ? 31.206 -1.501 61.550 1.00 41.01 ? 290 LEU A CD1 1 ATOM 476 C CD2 . LEU A 1 67 ? 32.080 -0.194 63.510 1.00 35.84 ? 290 LEU A CD2 1 ATOM 477 N N . ALA A 1 68 ? 27.916 0.447 65.573 1.00 30.00 ? 291 ALA A N 1 ATOM 478 C CA . ALA A 1 68 ? 26.550 0.930 65.729 1.00 28.67 ? 291 ALA A CA 1 ATOM 479 C C . ALA A 1 68 ? 26.087 1.609 64.445 1.00 35.76 ? 291 ALA A C 1 ATOM 480 O O . ALA A 1 68 ? 26.902 2.007 63.613 1.00 36.93 ? 291 ALA A O 1 ATOM 481 C CB . ALA A 1 68 ? 26.441 1.888 66.900 1.00 27.85 ? 291 ALA A CB 1 ATOM 482 N N . SER A 1 69 ? 24.773 1.719 64.282 1.00 28.66 ? 292 SER A N 1 ATOM 483 C CA . SER A 1 69 ? 24.209 2.454 63.162 1.00 27.05 ? 292 SER A CA 1 ATOM 484 C C . SER A 1 69 ? 23.021 3.243 63.670 1.00 31.35 ? 292 SER A C 1 ATOM 485 O O . SER A 1 69 ? 22.182 2.724 64.419 1.00 29.41 ? 292 SER A O 1 ATOM 486 C CB . SER A 1 69 ? 23.805 1.513 62.026 1.00 35.61 ? 292 SER A CB 1 ATOM 487 O OG . SER A 1 69 ? 24.952 1.034 61.337 1.00 32.75 ? 292 SER A OG 1 ATOM 488 N N . THR A 1 70 ? 22.974 4.512 63.284 1.00 30.54 ? 293 THR A N 1 ATOM 489 C CA . THR A 1 70 ? 21.938 5.411 63.747 1.00 28.03 ? 293 THR A CA 1 ATOM 490 C C . THR A 1 70 ? 21.247 6.067 62.561 1.00 27.61 ? 293 THR A C 1 ATOM 491 O O . THR A 1 70 ? 21.854 6.286 61.503 1.00 25.18 ? 293 THR A O 1 ATOM 492 C CB . THR A 1 70 ? 22.516 6.487 64.679 1.00 29.64 ? 293 THR A CB 1 ATOM 493 O OG1 . THR A 1 70 ? 23.106 5.852 65.819 1.00 28.61 ? 293 THR A OG1 1 ATOM 494 C CG2 . THR A 1 70 ? 21.426 7.437 65.141 1.00 33.28 ? 293 THR A CG2 1 ATOM 495 N N . GLN A 1 71 ? 19.963 6.351 62.719 1.00 26.06 ? 294 GLN A N 1 ATOM 496 C CA . GLN A 1 71 ? 19.262 7.066 61.673 1.00 27.86 ? 294 GLN A CA 1 ATOM 497 C C . GLN A 1 71 ? 18.208 7.980 62.252 1.00 29.50 ? 294 GLN A C 1 ATOM 498 O O . GLN A 1 71 ? 17.749 7.787 63.375 1.00 29.49 ? 294 GLN A O 1 ATOM 499 C CB . GLN A 1 71 ? 18.621 6.087 60.706 1.00 31.35 ? 294 GLN A CB 1 ATOM 500 C CG . GLN A 1 71 ? 17.380 5.424 61.254 1.00 34.90 ? 294 GLN A CG 1 ATOM 501 C CD . GLN A 1 71 ? 16.713 4.594 60.200 1.00 41.35 ? 294 GLN A CD 1 ATOM 502 O OE1 . GLN A 1 71 ? 17.368 3.797 59.544 1.00 49.63 ? 294 GLN A OE1 1 ATOM 503 N NE2 . GLN A 1 71 ? 15.417 4.792 60.007 1.00 45.26 ? 294 GLN A NE2 1 ATOM 504 N N . SER A 1 72 ? 17.842 8.997 61.489 1.00 21.22 ? 295 SER A N 1 ATOM 505 C CA . SER A 1 72 ? 16.770 9.875 61.902 1.00 25.03 ? 295 SER A CA 1 ATOM 506 C C . SER A 1 72 ? 15.952 10.241 60.688 1.00 24.00 ? 295 SER A C 1 ATOM 507 O O . SER A 1 72 ? 16.499 10.610 59.643 1.00 28.42 ? 295 SER A O 1 ATOM 508 C CB . SER A 1 72 ? 17.311 11.137 62.555 1.00 25.07 ? 295 SER A CB 1 ATOM 509 O OG . SER A 1 72 ? 16.266 12.074 62.731 1.00 25.57 ? 295 SER A OG 1 ATOM 510 N N . GLU A 1 73 ? 14.639 10.132 60.828 1.00 23.01 ? 296 GLU A N 1 ATOM 511 C CA . GLU A 1 73 ? 13.738 10.464 59.745 1.00 23.49 ? 296 GLU A CA 1 ATOM 512 C C . GLU A 1 73 ? 12.968 11.741 60.041 1.00 30.09 ? 296 GLU A C 1 ATOM 513 O O . GLU A 1 73 ? 12.332 11.865 61.084 1.00 34.01 ? 296 GLU A O 1 ATOM 514 C CB . GLU A 1 73 ? 12.766 9.310 59.488 1.00 26.90 ? 296 GLU A CB 1 ATOM 515 C CG . GLU A 1 73 ? 11.936 9.534 58.239 1.00 36.55 ? 296 GLU A CG 1 ATOM 516 C CD . GLU A 1 73 ? 10.874 8.470 58.039 1.00 54.75 ? 296 GLU A CD 1 ATOM 517 O OE1 . GLU A 1 73 ? 10.029 8.280 58.943 1.00 60.53 ? 296 GLU A OE1 1 ATOM 518 O OE2 . GLU A 1 73 ? 10.880 7.833 56.967 1.00 55.30 ? 296 GLU A OE2 1 ATOM 519 N N . LEU A 1 74 ? 13.033 12.688 59.114 1.00 21.68 ? 297 LEU A N 1 ATOM 520 C CA . LEU A 1 74 ? 12.295 13.932 59.225 1.00 21.89 ? 297 LEU A CA 1 ATOM 521 C C . LEU A 1 74 ? 11.238 13.982 58.123 1.00 29.16 ? 297 LEU A C 1 ATOM 522 O O . LEU A 1 74 ? 11.538 13.742 56.956 1.00 31.28 ? 297 LEU A O 1 ATOM 523 C CB . LEU A 1 74 ? 13.264 15.112 59.064 1.00 24.79 ? 297 LEU A CB 1 ATOM 524 C CG . LEU A 1 74 ? 12.691 16.520 58.951 1.00 24.85 ? 297 LEU A CG 1 ATOM 525 C CD1 . LEU A 1 74 ? 12.129 16.998 60.303 1.00 25.32 ? 297 LEU A CD1 1 ATOM 526 C CD2 . LEU A 1 74 ? 13.761 17.477 58.463 1.00 21.41 ? 297 LEU A CD2 1 ATOM 527 N N . THR A 1 75 ? 10.003 14.312 58.483 1.00 25.07 ? 298 THR A N 1 ATOM 528 C CA . THR A 1 75 ? 8.959 14.459 57.469 1.00 27.92 ? 298 THR A CA 1 ATOM 529 C C . THR A 1 75 ? 8.622 15.925 57.211 1.00 35.30 ? 298 THR A C 1 ATOM 530 O O . THR A 1 75 ? 8.378 16.695 58.144 1.00 34.44 ? 298 THR A O 1 ATOM 531 C CB . THR A 1 75 ? 7.690 13.668 57.836 1.00 38.73 ? 298 THR A CB 1 ATOM 532 O OG1 . THR A 1 75 ? 8.013 12.274 57.922 1.00 42.47 ? 298 THR A OG1 1 ATOM 533 C CG2 . THR A 1 75 ? 6.606 13.864 56.776 1.00 33.93 ? 298 THR A CG2 1 ATOM 534 N N . LEU A 1 76 ? 8.621 16.299 55.933 1.00 27.06 ? 299 LEU A N 1 ATOM 535 C CA . LEU A 1 76 ? 8.345 17.669 55.520 1.00 31.88 ? 299 LEU A CA 1 ATOM 536 C C . LEU A 1 76 ? 7.133 17.708 54.603 1.00 32.43 ? 299 LEU A C 1 ATOM 537 O O . LEU A 1 76 ? 6.865 16.750 53.882 1.00 35.38 ? 299 LEU A O 1 ATOM 538 C CB . LEU A 1 76 ? 9.538 18.239 54.756 1.00 26.39 ? 299 LEU A CB 1 ATOM 539 C CG . LEU A 1 76 ? 10.869 18.360 55.489 1.00 27.83 ? 299 LEU A CG 1 ATOM 540 C CD1 . LEU A 1 76 ? 11.935 18.882 54.540 1.00 29.20 ? 299 LEU A CD1 1 ATOM 541 C CD2 . LEU A 1 76 ? 10.719 19.271 56.701 1.00 31.53 ? 299 LEU A CD2 1 ATOM 542 N N . SER A 1 77 ? 6.413 18.826 54.622 1.00 35.80 ? 300 SER A N 1 ATOM 543 C CA . SER A 1 77 ? 5.353 19.055 53.653 1.00 39.39 ? 300 SER A CA 1 ATOM 544 C C . SER A 1 77 ? 5.979 19.303 52.286 1.00 40.54 ? 300 SER A C 1 ATOM 545 O O . SER A 1 77 ? 7.108 19.791 52.182 1.00 27.97 ? 300 SER A O 1 ATOM 546 C CB . SER A 1 77 ? 4.494 20.259 54.056 1.00 44.18 ? 300 SER A CB 1 ATOM 547 O OG . SER A 1 77 ? 5.239 21.469 54.005 1.00 36.71 ? 300 SER A OG 1 ATOM 548 N N . GLN A 1 78 ? 5.251 18.969 51.228 1.00 34.50 ? 301 GLN A N 1 ATOM 549 C CA . GLN A 1 78 ? 5.761 19.236 49.898 1.00 34.00 ? 301 GLN A CA 1 ATOM 550 C C . GLN A 1 78 ? 6.039 20.723 49.758 1.00 37.03 ? 301 GLN A C 1 ATOM 551 O O . GLN A 1 78 ? 7.042 21.125 49.173 1.00 30.99 ? 301 GLN A O 1 ATOM 552 C CB . GLN A 1 78 ? 4.765 18.794 48.827 1.00 35.32 ? 301 GLN A CB 1 ATOM 553 C CG . GLN A 1 78 ? 5.298 18.985 47.435 1.00 34.36 ? 301 GLN A CG 1 ATOM 554 C CD . GLN A 1 78 ? 4.245 18.744 46.386 1.00 39.41 ? 301 GLN A CD 1 ATOM 555 O OE1 . GLN A 1 78 ? 3.813 19.674 45.712 1.00 39.42 ? 301 GLN A OE1 1 ATOM 556 N NE2 . GLN A 1 78 ? 3.811 17.496 46.252 1.00 38.38 ? 301 GLN A NE2 1 ATOM 557 N N . LYS A 1 79 ? 5.142 21.538 50.304 1.00 36.36 ? 302 LYS A N 1 ATOM 558 C CA . LYS A 1 79 ? 5.269 22.990 50.217 1.00 43.99 ? 302 LYS A CA 1 ATOM 559 C C . LYS A 1 79 ? 6.609 23.483 50.781 1.00 37.15 ? 302 LYS A C 1 ATOM 560 O O . LYS A 1 79 ? 7.308 24.286 50.153 1.00 34.81 ? 302 LYS A O 1 ATOM 561 C CB . LYS A 1 79 ? 4.103 23.665 50.949 1.00 52.16 ? 302 LYS A CB 1 ATOM 562 C CG . LYS A 1 79 ? 4.252 25.169 51.133 1.00 63.52 ? 302 LYS A CG 1 ATOM 563 C CD . LYS A 1 79 ? 3.350 25.669 52.252 1.00 76.60 ? 302 LYS A CD 1 ATOM 564 C CE . LYS A 1 79 ? 3.880 26.960 52.864 1.00 85.96 ? 302 LYS A CE 1 ATOM 565 N NZ . LYS A 1 79 ? 3.321 27.204 54.226 1.00 88.46 ? 302 LYS A NZ 1 ATOM 566 N N . HIS A 1 80 ? 6.955 23.008 51.972 1.00 35.21 ? 303 HIS A N 1 ATOM 567 C CA . HIS A 1 80 ? 8.200 23.410 52.618 1.00 32.61 ? 303 HIS A CA 1 ATOM 568 C C . HIS A 1 80 ? 9.422 22.973 51.818 1.00 34.61 ? 303 HIS A C 1 ATOM 569 O O . HIS A 1 80 ? 10.361 23.748 51.637 1.00 37.65 ? 303 HIS A O 1 ATOM 570 C CB . HIS A 1 80 ? 8.251 22.867 54.045 1.00 34.85 ? 303 HIS A CB 1 ATOM 571 C CG . HIS A 1 80 ? 7.364 23.612 54.992 1.00 40.64 ? 303 HIS A CG 1 ATOM 572 N ND1 . HIS A 1 80 ? 7.431 23.454 56.360 1.00 42.23 ? 303 HIS A ND1 1 ATOM 573 C CD2 . HIS A 1 80 ? 6.407 24.542 54.766 1.00 49.03 ? 303 HIS A CD2 1 ATOM 574 C CE1 . HIS A 1 80 ? 6.542 24.246 56.935 1.00 44.43 ? 303 HIS A CE1 1 ATOM 575 N NE2 . HIS A 1 80 ? 5.907 24.916 55.991 1.00 53.10 ? 303 HIS A NE2 1 ATOM 576 N N . TRP A 1 81 ? 9.405 21.736 51.333 1.00 32.81 ? 304 TRP A N 1 ATOM 577 C CA . TRP A 1 81 ? 10.491 21.249 50.493 1.00 29.13 ? 304 TRP A CA 1 ATOM 578 C C . TRP A 1 81 ? 10.633 22.142 49.262 1.00 33.89 ? 304 TRP A C 1 ATOM 579 O O . TRP A 1 81 ? 11.731 22.586 48.915 1.00 29.06 ? 304 TRP A O 1 ATOM 580 C CB . TRP A 1 81 ? 10.226 19.801 50.073 1.00 31.79 ? 304 TRP A CB 1 ATOM 581 C CG . TRP A 1 81 ? 11.373 19.160 49.346 1.00 31.93 ? 304 TRP A CG 1 ATOM 582 C CD1 . TRP A 1 81 ? 11.361 18.652 48.075 1.00 34.72 ? 304 TRP A CD1 1 ATOM 583 C CD2 . TRP A 1 81 ? 12.708 18.959 49.846 1.00 28.12 ? 304 TRP A CD2 1 ATOM 584 N NE1 . TRP A 1 81 ? 12.602 18.145 47.756 1.00 30.29 ? 304 TRP A NE1 1 ATOM 585 C CE2 . TRP A 1 81 ? 13.447 18.326 48.821 1.00 31.60 ? 304 TRP A CE2 1 ATOM 586 C CE3 . TRP A 1 81 ? 13.347 19.255 51.057 1.00 27.05 ? 304 TRP A CE3 1 ATOM 587 C CZ2 . TRP A 1 81 ? 14.792 17.975 48.973 1.00 25.81 ? 304 TRP A CZ2 1 ATOM 588 C CZ3 . TRP A 1 81 ? 14.688 18.916 51.206 1.00 25.98 ? 304 TRP A CZ3 1 ATOM 589 C CH2 . TRP A 1 81 ? 15.395 18.278 50.171 1.00 23.97 ? 304 TRP A CH2 1 ATOM 590 N N . LEU A 1 82 ? 9.507 22.425 48.614 1.00 32.19 ? 305 LEU A N 1 ATOM 591 C CA . LEU A 1 82 ? 9.522 23.204 47.377 1.00 36.90 ? 305 LEU A CA 1 ATOM 592 C C . LEU A 1 82 ? 9.875 24.686 47.574 1.00 37.51 ? 305 LEU A C 1 ATOM 593 O O . LEU A 1 82 ? 10.182 25.388 46.612 1.00 40.38 ? 305 LEU A O 1 ATOM 594 C CB . LEU A 1 82 ? 8.197 23.037 46.616 1.00 38.95 ? 305 LEU A CB 1 ATOM 595 C CG . LEU A 1 82 ? 8.123 21.866 45.623 1.00 44.67 ? 305 LEU A CG 1 ATOM 596 C CD1 . LEU A 1 82 ? 8.730 20.586 46.193 1.00 40.41 ? 305 LEU A CD1 1 ATOM 597 C CD2 . LEU A 1 82 ? 6.689 21.618 45.153 1.00 43.01 ? 305 LEU A CD2 1 ATOM 598 N N . SER A 1 83 ? 9.864 25.153 48.819 1.00 36.61 ? 306 SER A N 1 ATOM 599 C CA . SER A 1 83 ? 10.222 26.540 49.106 1.00 37.51 ? 306 SER A CA 1 ATOM 600 C C . SER A 1 83 ? 11.739 26.789 49.163 1.00 30.44 ? 306 SER A C 1 ATOM 601 O O . SER A 1 83 ? 12.174 27.908 49.409 1.00 28.70 ? 306 SER A O 1 ATOM 602 C CB . SER A 1 83 ? 9.588 26.995 50.418 1.00 40.48 ? 306 SER A CB 1 ATOM 603 O OG . SER A 1 83 ? 10.302 26.458 51.518 1.00 47.64 ? 306 SER A OG 1 ATOM 604 N N . ASP A 1 84 ? 12.538 25.751 48.953 1.00 28.88 ? 307 ASP A N 1 ATOM 605 C CA . ASP A 1 84 ? 13.995 25.916 48.890 1.00 29.04 ? 307 ASP A CA 1 ATOM 606 C C . ASP A 1 84 ? 14.674 26.215 50.222 1.00 29.80 ? 307 ASP A C 1 ATOM 607 O O . ASP A 1 84 ? 15.766 26.787 50.258 1.00 30.49 ? 307 ASP A O 1 ATOM 608 C CB . ASP A 1 84 ? 14.384 26.978 47.862 1.00 31.76 ? 307 ASP A CB 1 ATOM 609 C CG . ASP A 1 84 ? 14.458 26.415 46.458 1.00 54.86 ? 307 ASP A CG 1 ATOM 610 O OD1 . ASP A 1 84 ? 15.040 25.318 46.294 1.00 56.67 ? 307 ASP A OD1 1 ATOM 611 O OD2 . ASP A 1 84 ? 13.932 27.064 45.525 1.00 57.42 ? 307 ASP A OD2 1 ATOM 612 N N . ARG A 1 85 ? 14.031 25.822 51.316 1.00 26.44 ? 308 ARG A N 1 ATOM 613 C CA . ARG A 1 85 ? 14.667 25.884 52.619 1.00 28.09 ? 308 ARG A CA 1 ATOM 614 C C . ARG A 1 85 ? 15.781 24.843 52.645 1.00 28.91 ? 308 ARG A C 1 ATOM 615 O O . ARG A 1 85 ? 15.688 23.805 51.988 1.00 24.92 ? 308 ARG A O 1 ATOM 616 C CB . ARG A 1 85 ? 13.651 25.585 53.724 1.00 28.24 ? 308 ARG A CB 1 ATOM 617 C CG . ARG A 1 85 ? 12.564 26.632 53.836 1.00 35.45 ? 308 ARG A CG 1 ATOM 618 C CD . ARG A 1 85 ? 11.478 26.219 54.810 1.00 41.58 ? 308 ARG A CD 1 ATOM 619 N NE . ARG A 1 85 ? 10.394 27.197 54.833 1.00 55.38 ? 308 ARG A NE 1 ATOM 620 C CZ . ARG A 1 85 ? 9.345 27.138 55.646 1.00 61.63 ? 308 ARG A CZ 1 ATOM 621 N NH1 . ARG A 1 85 ? 9.231 26.143 56.517 1.00 60.24 ? 308 ARG A NH1 1 ATOM 622 N NH2 . ARG A 1 85 ? 8.408 28.075 55.589 1.00 62.60 ? 308 ARG A NH2 1 ATOM 623 N N . THR A 1 86 ? 16.829 25.121 53.405 1.00 24.17 ? 309 THR A N 1 ATOM 624 C CA . THR A 1 86 ? 17.926 24.176 53.553 1.00 21.85 ? 309 THR A CA 1 ATOM 625 C C . THR A 1 86 ? 17.759 23.383 54.843 1.00 18.95 ? 309 THR A C 1 ATOM 626 O O . THR A 1 86 ? 17.484 23.948 55.904 1.00 21.48 ? 309 THR A O 1 ATOM 627 C CB . THR A 1 86 ? 19.294 24.889 53.586 1.00 22.97 ? 309 THR A CB 1 ATOM 628 O OG1 . THR A 1 86 ? 19.480 25.630 52.375 1.00 26.62 ? 309 THR A OG1 1 ATOM 629 C CG2 . THR A 1 86 ? 20.415 23.873 53.750 1.00 31.16 ? 309 THR A CG2 1 ATOM 630 N N . TYR A 1 87 ? 17.923 22.071 54.751 1.00 18.12 ? 310 TYR A N 1 ATOM 631 C CA . TYR A 1 87 ? 17.819 21.210 55.933 1.00 20.87 ? 310 TYR A CA 1 ATOM 632 C C . TYR A 1 87 ? 19.161 20.574 56.253 1.00 24.77 ? 310 TYR A C 1 ATOM 633 O O . TYR A 1 87 ? 19.813 20.024 55.367 1.00 21.53 ? 310 TYR A O 1 ATOM 634 C CB . TYR A 1 87 ? 16.739 20.144 55.708 1.00 21.83 ? 310 TYR A CB 1 ATOM 635 C CG . TYR A 1 87 ? 15.397 20.801 55.591 1.00 24.11 ? 310 TYR A CG 1 ATOM 636 C CD1 . TYR A 1 87 ? 14.922 21.218 54.355 1.00 26.28 ? 310 TYR A CD1 1 ATOM 637 C CD2 . TYR A 1 87 ? 14.627 21.063 56.727 1.00 22.82 ? 310 TYR A CD2 1 ATOM 638 C CE1 . TYR A 1 87 ? 13.718 21.858 54.241 1.00 22.33 ? 310 TYR A CE1 1 ATOM 639 C CE2 . TYR A 1 87 ? 13.403 21.699 56.623 1.00 22.04 ? 310 TYR A CE2 1 ATOM 640 C CZ . TYR A 1 87 ? 12.956 22.089 55.369 1.00 24.30 ? 310 TYR A CZ 1 ATOM 641 O OH . TYR A 1 87 ? 11.761 22.739 55.230 1.00 25.78 ? 310 TYR A OH 1 ATOM 642 N N . THR A 1 88 ? 19.565 20.665 57.520 1.00 22.39 ? 311 THR A N 1 ATOM 643 C CA . THR A 1 88 ? 20.868 20.181 57.959 1.00 22.47 ? 311 THR A CA 1 ATOM 644 C C . THR A 1 88 ? 20.705 19.060 58.969 1.00 18.98 ? 311 THR A C 1 ATOM 645 O O . THR A 1 88 ? 19.993 19.217 59.959 1.00 24.64 ? 311 THR A O 1 ATOM 646 C CB . THR A 1 88 ? 21.672 21.318 58.631 1.00 20.98 ? 311 THR A CB 1 ATOM 647 O OG1 . THR A 1 88 ? 21.790 22.412 57.716 1.00 25.15 ? 311 THR A OG1 1 ATOM 648 C CG2 . THR A 1 88 ? 23.065 20.829 59.046 1.00 27.01 ? 311 THR A CG2 1 ATOM 649 N N . CYS A 1 89 ? 21.339 17.921 58.706 1.00 19.62 ? 312 CYS A N 1 ATOM 650 C CA . CYS A 1 89 ? 21.411 16.865 59.705 1.00 24.43 ? 312 CYS A CA 1 ATOM 651 C C . CYS A 1 89 ? 22.657 17.107 60.529 1.00 28.50 ? 312 CYS A C 1 ATOM 652 O O . CYS A 1 89 ? 23.770 17.075 60.001 1.00 25.33 ? 312 CYS A O 1 ATOM 653 C CB . CYS A 1 89 ? 21.480 15.482 59.051 1.00 22.89 ? 312 CYS A CB 1 ATOM 654 S SG . CYS A 1 89 ? 21.626 14.139 60.247 1.00 28.00 ? 312 CYS A SG 1 ATOM 655 N N . GLN A 1 90 ? 22.467 17.378 61.816 1.00 22.93 ? 313 GLN A N 1 ATOM 656 C CA . GLN A 1 90 ? 23.577 17.722 62.692 1.00 24.16 ? 313 GLN A CA 1 ATOM 657 C C . GLN A 1 90 ? 23.805 16.599 63.693 1.00 29.95 ? 313 GLN A C 1 ATOM 658 O O . GLN A 1 90 ? 22.974 16.352 64.577 1.00 23.97 ? 313 GLN A O 1 ATOM 659 C CB . GLN A 1 90 ? 23.280 19.030 63.421 1.00 26.70 ? 313 GLN A CB 1 ATOM 660 C CG . GLN A 1 90 ? 24.415 19.548 64.272 1.00 33.65 ? 313 GLN A CG 1 ATOM 661 C CD . GLN A 1 90 ? 24.054 20.875 64.893 1.00 40.08 ? 313 GLN A CD 1 ATOM 662 O OE1 . GLN A 1 90 ? 24.576 21.926 64.508 1.00 39.39 ? 313 GLN A OE1 1 ATOM 663 N NE2 . GLN A 1 90 ? 23.115 20.840 65.830 1.00 31.11 ? 313 GLN A NE2 1 ATOM 664 N N . VAL A 1 91 ? 24.935 15.918 63.535 1.00 21.49 ? 314 VAL A N 1 ATOM 665 C CA . VAL A 1 91 ? 25.236 14.740 64.325 1.00 21.44 ? 314 VAL A CA 1 ATOM 666 C C . VAL A 1 91 ? 26.331 15.077 65.330 1.00 25.78 ? 314 VAL A C 1 ATOM 667 O O . VAL A 1 91 ? 27.382 15.584 64.963 1.00 26.41 ? 314 VAL A O 1 ATOM 668 C CB . VAL A 1 91 ? 25.708 13.583 63.424 1.00 24.13 ? 314 VAL A CB 1 ATOM 669 C CG1 . VAL A 1 91 ? 26.005 12.332 64.267 1.00 22.28 ? 314 VAL A CG1 1 ATOM 670 C CG2 . VAL A 1 91 ? 24.669 13.285 62.357 1.00 26.02 ? 314 VAL A CG2 1 ATOM 671 N N . THR A 1 92 ? 26.068 14.813 66.603 1.00 21.98 ? 315 THR A N 1 ATOM 672 C CA . THR A 1 92 ? 27.061 15.065 67.639 1.00 22.47 ? 315 THR A CA 1 ATOM 673 C C . THR A 1 92 ? 27.416 13.720 68.229 1.00 24.52 ? 315 THR A C 1 ATOM 674 O O . THR A 1 92 ? 26.555 13.020 68.770 1.00 23.26 ? 315 THR A O 1 ATOM 675 C CB . THR A 1 92 ? 26.519 15.983 68.740 1.00 31.59 ? 315 THR A CB 1 ATOM 676 O OG1 . THR A 1 92 ? 25.971 17.167 68.148 1.00 38.05 ? 315 THR A OG1 1 ATOM 677 C CG2 . THR A 1 92 ? 27.638 16.361 69.744 1.00 29.77 ? 315 THR A CG2 1 ATOM 678 N N . TYR A 1 93 ? 28.674 13.345 68.062 1.00 23.40 ? 316 TYR A N 1 ATOM 679 C CA . TYR A 1 93 ? 29.173 12.047 68.464 1.00 24.33 ? 316 TYR A CA 1 ATOM 680 C C . TYR A 1 93 ? 30.338 12.273 69.406 1.00 21.16 ? 316 TYR A C 1 ATOM 681 O O . TYR A 1 93 ? 31.342 12.884 69.026 1.00 27.79 ? 316 TYR A O 1 ATOM 682 C CB . TYR A 1 93 ? 29.658 11.268 67.235 1.00 25.41 ? 316 TYR A CB 1 ATOM 683 C CG . TYR A 1 93 ? 30.415 10.009 67.585 1.00 27.33 ? 316 TYR A CG 1 ATOM 684 C CD1 . TYR A 1 93 ? 29.738 8.858 67.985 1.00 26.03 ? 316 TYR A CD1 1 ATOM 685 C CD2 . TYR A 1 93 ? 31.800 9.967 67.529 1.00 28.38 ? 316 TYR A CD2 1 ATOM 686 C CE1 . TYR A 1 93 ? 30.436 7.698 68.322 1.00 28.13 ? 316 TYR A CE1 1 ATOM 687 C CE2 . TYR A 1 93 ? 32.498 8.817 67.868 1.00 32.80 ? 316 TYR A CE2 1 ATOM 688 C CZ . TYR A 1 93 ? 31.808 7.686 68.254 1.00 29.44 ? 316 TYR A CZ 1 ATOM 689 O OH . TYR A 1 93 ? 32.492 6.538 68.593 1.00 34.32 ? 316 TYR A OH 1 ATOM 690 N N . GLN A 1 94 ? 30.190 11.796 70.638 1.00 25.35 ? 317 GLN A N 1 ATOM 691 C CA . GLN A 1 94 ? 31.217 11.964 71.654 1.00 32.65 ? 317 GLN A CA 1 ATOM 692 C C . GLN A 1 94 ? 31.639 13.426 71.745 1.00 28.85 ? 317 GLN A C 1 ATOM 693 O O . GLN A 1 94 ? 32.820 13.736 71.860 1.00 30.97 ? 317 GLN A O 1 ATOM 694 C CB . GLN A 1 94 ? 32.418 11.072 71.353 1.00 31.39 ? 317 GLN A CB 1 ATOM 695 C CG . GLN A 1 94 ? 32.124 9.589 71.482 1.00 28.23 ? 317 GLN A CG 1 ATOM 696 C CD . GLN A 1 94 ? 31.977 9.140 72.918 1.00 36.25 ? 317 GLN A CD 1 ATOM 697 O OE1 . GLN A 1 94 ? 30.961 8.559 73.286 1.00 32.24 ? 317 GLN A OE1 1 ATOM 698 N NE2 . GLN A 1 94 ? 32.998 9.399 73.740 1.00 35.03 ? 317 GLN A NE2 1 ATOM 699 N N . GLY A 1 95 ? 30.659 14.322 71.684 1.00 28.86 ? 318 GLY A N 1 ATOM 700 C CA . GLY A 1 95 ? 30.918 15.742 71.827 1.00 31.34 ? 318 GLY A CA 1 ATOM 701 C C . GLY A 1 95 ? 31.440 16.456 70.593 1.00 37.15 ? 318 GLY A C 1 ATOM 702 O O . GLY A 1 95 ? 31.711 17.657 70.645 1.00 34.26 ? 318 GLY A O 1 ATOM 703 N N . HIS A 1 96 ? 31.595 15.731 69.489 1.00 25.75 ? 319 HIS A N 1 ATOM 704 C CA . HIS A 1 96 ? 32.067 16.344 68.248 1.00 25.03 ? 319 HIS A CA 1 ATOM 705 C C . HIS A 1 96 ? 30.957 16.340 67.206 1.00 24.27 ? 319 HIS A C 1 ATOM 706 O O . HIS A 1 96 ? 30.204 15.375 67.107 1.00 25.72 ? 319 HIS A O 1 ATOM 707 C CB . HIS A 1 96 ? 33.319 15.628 67.723 1.00 26.50 ? 319 HIS A CB 1 ATOM 708 C CG . HIS A 1 96 ? 34.559 15.969 68.495 1.00 28.40 ? 319 HIS A CG 1 ATOM 709 N ND1 . HIS A 1 96 ? 35.006 15.217 69.562 1.00 43.22 ? 319 HIS A ND1 1 ATOM 710 C CD2 . HIS A 1 96 ? 35.422 17.007 68.377 1.00 26.42 ? 319 HIS A CD2 1 ATOM 711 C CE1 . HIS A 1 96 ? 36.100 15.769 70.060 1.00 38.34 ? 319 HIS A CE1 1 ATOM 712 N NE2 . HIS A 1 96 ? 36.373 16.857 69.361 1.00 43.72 ? 319 HIS A NE2 1 ATOM 713 N N . THR A 1 97 ? 30.875 17.423 66.438 1.00 27.75 ? 320 THR A N 1 ATOM 714 C CA . THR A 1 97 ? 29.769 17.650 65.515 1.00 27.51 ? 320 THR A CA 1 ATOM 715 C C . THR A 1 97 ? 30.147 17.381 64.060 1.00 22.92 ? 320 THR A C 1 ATOM 716 O O . THR A 1 97 ? 31.199 17.823 63.573 1.00 21.01 ? 320 THR A O 1 ATOM 717 C CB . THR A 1 97 ? 29.230 19.093 65.646 1.00 28.64 ? 320 THR A CB 1 ATOM 718 O OG1 . THR A 1 97 ? 28.868 19.348 67.010 1.00 33.36 ? 320 THR A OG1 1 ATOM 719 C CG2 . THR A 1 97 ? 28.007 19.296 64.766 1.00 28.22 ? 320 THR A CG2 1 ATOM 720 N N . PHE A 1 98 ? 29.259 16.669 63.371 1.00 20.04 ? 321 PHE A N 1 ATOM 721 C CA . PHE A 1 98 ? 29.397 16.359 61.960 1.00 24.97 ? 321 PHE A CA 1 ATOM 722 C C . PHE A 1 98 ? 28.106 16.829 61.307 1.00 28.48 ? 321 PHE A C 1 ATOM 723 O O . PHE A 1 98 ? 27.033 16.610 61.855 1.00 23.73 ? 321 PHE A O 1 ATOM 724 C CB . PHE A 1 98 ? 29.543 14.852 61.780 1.00 26.16 ? 321 PHE A CB 1 ATOM 725 C CG . PHE A 1 98 ? 30.693 14.257 62.547 1.00 25.35 ? 321 PHE A CG 1 ATOM 726 C CD1 . PHE A 1 98 ? 31.869 13.912 61.899 1.00 35.50 ? 321 PHE A CD1 1 ATOM 727 C CD2 . PHE A 1 98 ? 30.604 14.062 63.912 1.00 24.69 ? 321 PHE A CD2 1 ATOM 728 C CE1 . PHE A 1 98 ? 32.935 13.371 62.604 1.00 35.93 ? 321 PHE A CE1 1 ATOM 729 C CE2 . PHE A 1 98 ? 31.665 13.530 64.621 1.00 32.85 ? 321 PHE A CE2 1 ATOM 730 C CZ . PHE A 1 98 ? 32.830 13.182 63.961 1.00 36.56 ? 321 PHE A CZ 1 ATOM 731 N N . GLU A 1 99 ? 28.197 17.496 60.163 1.00 21.54 ? 322 GLU A N 1 ATOM 732 C CA . GLU A 1 99 ? 26.992 18.024 59.521 1.00 18.99 ? 322 GLU A CA 1 ATOM 733 C C . GLU A 1 99 ? 26.931 17.650 58.038 1.00 24.74 ? 322 GLU A C 1 ATOM 734 O O . GLU A 1 99 ? 27.964 17.539 57.373 1.00 23.22 ? 322 GLU A O 1 ATOM 735 C CB . GLU A 1 99 ? 26.940 19.551 59.669 1.00 27.61 ? 322 GLU A CB 1 ATOM 736 C CG . GLU A 1 99 ? 26.741 20.051 61.097 1.00 29.27 ? 322 GLU A CG 1 ATOM 737 C CD . GLU A 1 99 ? 26.721 21.577 61.204 1.00 34.78 ? 322 GLU A CD 1 ATOM 738 O OE1 . GLU A 1 99 ? 26.938 22.263 60.182 1.00 28.30 ? 322 GLU A OE1 1 ATOM 739 O OE2 . GLU A 1 99 ? 26.501 22.091 62.321 1.00 29.17 ? 322 GLU A OE2 1 ATOM 740 N N . ASP A 1 100 ? 25.720 17.457 57.525 1.00 21.16 ? 323 ASP A N 1 ATOM 741 C CA . ASP A 1 100 ? 25.501 17.435 56.071 1.00 22.32 ? 323 ASP A CA 1 ATOM 742 C C . ASP A 1 100 ? 24.184 18.160 55.843 1.00 23.02 ? 323 ASP A C 1 ATOM 743 O O . ASP A 1 100 ? 23.381 18.290 56.771 1.00 25.42 ? 323 ASP A O 1 ATOM 744 C CB . ASP A 1 100 ? 25.458 16.006 55.522 1.00 22.82 ? 323 ASP A CB 1 ATOM 745 C CG . ASP A 1 100 ? 25.807 15.938 54.014 1.00 31.84 ? 323 ASP A CG 1 ATOM 746 O OD1 . ASP A 1 100 ? 25.786 16.985 53.333 1.00 29.97 ? 323 ASP A OD1 1 ATOM 747 O OD2 . ASP A 1 100 ? 26.110 14.835 53.509 1.00 35.00 ? 323 ASP A OD2 1 ATOM 748 N N . SER A 1 101 ? 23.977 18.668 54.636 1.00 22.57 ? 324 SER A N 1 ATOM 749 C CA . SER A 1 101 ? 22.825 19.520 54.370 1.00 23.92 ? 324 SER A CA 1 ATOM 750 C C . SER A 1 101 ? 22.230 19.219 53.018 1.00 23.75 ? 324 SER A C 1 ATOM 751 O O . SER A 1 101 ? 22.911 18.703 52.121 1.00 21.42 ? 324 SER A O 1 ATOM 752 C CB . SER A 1 101 ? 23.241 20.993 54.410 1.00 25.63 ? 324 SER A CB 1 ATOM 753 O OG . SER A 1 101 ? 23.623 21.362 55.723 1.00 41.55 ? 324 SER A OG 1 ATOM 754 N N . THR A 1 102 ? 20.961 19.567 52.850 1.00 22.05 ? 325 THR A N 1 ATOM 755 C CA . THR A 1 102 ? 20.312 19.330 51.566 1.00 25.00 ? 325 THR A CA 1 ATOM 756 C C . THR A 1 102 ? 19.255 20.387 51.309 1.00 23.87 ? 325 THR A C 1 ATOM 757 O O . THR A 1 102 ? 18.742 21.015 52.240 1.00 24.71 ? 325 THR A O 1 ATOM 758 C CB . THR A 1 102 ? 19.654 17.925 51.507 1.00 20.57 ? 325 THR A CB 1 ATOM 759 O OG1 . THR A 1 102 ? 19.175 17.662 50.174 1.00 25.02 ? 325 THR A OG1 1 ATOM 760 C CG2 . THR A 1 102 ? 18.489 17.835 52.489 1.00 21.69 ? 325 THR A CG2 1 ATOM 761 N N . LYS A 1 103 ? 18.951 20.594 50.039 1.00 22.83 ? 326 LYS A N 1 ATOM 762 C CA . LYS A 1 103 ? 17.718 21.256 49.666 1.00 23.61 ? 326 LYS A CA 1 ATOM 763 C C . LYS A 1 103 ? 17.244 20.682 48.342 1.00 22.55 ? 326 LYS A C 1 ATOM 764 O O . LYS A 1 103 ? 17.961 19.915 47.709 1.00 24.69 ? 326 LYS A O 1 ATOM 765 C CB . LYS A 1 103 ? 17.889 22.773 49.605 1.00 27.86 ? 326 LYS A CB 1 ATOM 766 C CG . LYS A 1 103 ? 18.833 23.302 48.553 1.00 33.33 ? 326 LYS A CG 1 ATOM 767 C CD . LYS A 1 103 ? 18.434 24.735 48.239 1.00 46.98 ? 326 LYS A CD 1 ATOM 768 C CE . LYS A 1 103 ? 19.629 25.647 48.131 1.00 61.43 ? 326 LYS A CE 1 ATOM 769 N NZ . LYS A 1 103 ? 19.272 27.035 48.539 1.00 63.89 ? 326 LYS A NZ 1 ATOM 770 N N . LYS A 1 104 ? 16.032 21.043 47.941 1.00 23.90 ? 327 LYS A N 1 ATOM 771 C CA . LYS A 1 104 ? 15.459 20.546 46.691 1.00 21.85 ? 327 LYS A CA 1 ATOM 772 C C . LYS A 1 104 ? 16.470 20.667 45.556 1.00 26.76 ? 327 LYS A C 1 ATOM 773 O O . LYS A 1 104 ? 17.144 21.684 45.425 1.00 26.07 ? 327 LYS A O 1 ATOM 774 C CB . LYS A 1 104 ? 14.198 21.335 46.351 1.00 27.69 ? 327 LYS A CB 1 ATOM 775 C CG . LYS A 1 104 ? 13.532 20.927 45.051 1.00 34.52 ? 327 LYS A CG 1 ATOM 776 C CD . LYS A 1 104 ? 12.228 21.679 44.870 1.00 50.73 ? 327 LYS A CD 1 ATOM 777 C CE . LYS A 1 104 ? 12.461 23.180 44.853 1.00 56.07 ? 327 LYS A CE 1 ATOM 778 N NZ . LYS A 1 104 ? 13.295 23.586 43.689 1.00 65.78 ? 327 LYS A NZ 1 ATOM 779 N N . CYS A 1 105 ? 16.580 19.628 44.738 1.00 26.20 ? 328 CYS A N 1 ATOM 780 C CA . CYS A 1 105 ? 17.475 19.681 43.586 1.00 27.21 ? 328 CYS A CA 1 ATOM 781 C C . CYS A 1 105 ? 17.041 20.795 42.651 1.00 28.41 ? 328 CYS A C 1 ATOM 782 O O . CYS A 1 105 ? 15.857 20.954 42.357 1.00 32.66 ? 328 CYS A O 1 ATOM 783 C CB . CYS A 1 105 ? 17.512 18.338 42.864 1.00 28.63 ? 328 CYS A CB 1 ATOM 784 S SG . CYS A 1 105 ? 18.131 17.006 43.899 1.00 37.24 ? 328 CYS A SG 1 ATOM 785 N N . ALA A 1 106 ? 18.004 21.597 42.210 1.00 33.12 ? 329 ALA A N 1 ATOM 786 C CA . ALA A 1 106 ? 17.698 22.715 41.335 1.00 31.31 ? 329 ALA A CA 1 ATOM 787 C C . ALA A 1 106 ? 17.411 22.192 39.932 1.00 34.62 ? 329 ALA A C 1 ATOM 788 O O . ALA A 1 106 ? 17.768 21.061 39.601 1.00 31.65 ? 329 ALA A O 1 ATOM 789 C CB . ALA A 1 106 ? 18.858 23.704 41.317 1.00 40.78 ? 329 ALA A CB 1 ATOM 790 N N . ASP A 1 107 ? 16.761 23.014 39.116 1.00 32.40 ? 330 ASP A N 1 ATOM 791 C CA . ASP A 1 107 ? 16.479 22.658 37.728 1.00 37.15 ? 330 ASP A CA 1 ATOM 792 C C . ASP A 1 107 ? 17.731 22.195 36.986 1.00 38.86 ? 330 ASP A C 1 ATOM 793 O O . ASP A 1 107 ? 18.804 22.791 37.106 1.00 36.65 ? 330 ASP A O 1 ATOM 794 C CB . ASP A 1 107 ? 15.856 23.842 36.992 1.00 36.57 ? 330 ASP A CB 1 ATOM 795 C CG . ASP A 1 107 ? 14.418 24.102 37.404 1.00 45.94 ? 330 ASP A CG 1 ATOM 796 O OD1 . ASP A 1 107 ? 13.899 25.193 37.083 1.00 45.04 ? 330 ASP A OD1 1 ATOM 797 O OD2 . ASP A 1 107 ? 13.802 23.220 38.041 1.00 43.90 ? 330 ASP A OD2 1 ATOM 798 N N . SER A 1 108 ? 17.589 21.132 36.204 1.00 37.59 ? 331 SER A N 1 ATOM 799 C CA . SER A 1 108 ? 18.715 20.606 35.446 1.00 40.23 ? 331 SER A CA 1 ATOM 800 C C . SER A 1 108 ? 18.888 21.313 34.094 1.00 41.24 ? 331 SER A C 1 ATOM 801 O O . SER A 1 108 ? 19.983 21.320 33.531 1.00 44.05 ? 331 SER A O 1 ATOM 802 C CB . SER A 1 108 ? 18.570 19.097 35.248 1.00 42.94 ? 331 SER A CB 1 ATOM 803 O OG . SER A 1 108 ? 17.469 18.793 34.409 1.00 53.37 ? 331 SER A OG 1 ATOM 804 N N . ASN A 1 109 ? 17.813 21.901 33.574 1.00 38.52 ? 332 ASN A N 1 ATOM 805 C CA . ASN A 1 109 ? 17.875 22.587 32.274 1.00 41.07 ? 332 ASN A CA 1 ATOM 806 C C . ASN A 1 109 ? 17.264 23.983 32.301 1.00 40.87 ? 332 ASN A C 1 ATOM 807 O O . ASN A 1 109 ? 16.362 24.281 31.513 1.00 52.44 ? 332 ASN A O 1 ATOM 808 C CB . ASN A 1 109 ? 17.195 21.748 31.191 1.00 39.28 ? 332 ASN A CB 1 ATOM 809 C CG . ASN A 1 109 ? 17.836 20.380 31.029 1.00 60.44 ? 332 ASN A CG 1 ATOM 810 O OD1 . ASN A 1 109 ? 18.929 20.255 30.474 1.00 66.88 ? 332 ASN A OD1 1 ATOM 811 N ND2 . ASN A 1 109 ? 17.154 19.345 31.509 1.00 61.44 ? 332 ASN A ND2 1 ATOM 812 N N . PRO A 1 110 ? 17.768 24.853 33.195 1.00 41.38 ? 333 PRO A N 1 ATOM 813 C CA . PRO A 1 110 ? 17.165 26.178 33.388 1.00 46.28 ? 333 PRO A CA 1 ATOM 814 C C . PRO A 1 110 ? 17.196 26.980 32.098 1.00 53.45 ? 333 PRO A C 1 ATOM 815 O O . PRO A 1 110 ? 18.246 27.043 31.459 1.00 56.31 ? 333 PRO A O 1 ATOM 816 C CB . PRO A 1 110 ? 18.093 26.849 34.405 1.00 42.92 ? 333 PRO A CB 1 ATOM 817 C CG . PRO A 1 110 ? 18.918 25.765 34.978 1.00 46.56 ? 333 PRO A CG 1 ATOM 818 C CD . PRO A 1 110 ? 19.032 24.713 33.936 1.00 39.17 ? 333 PRO A CD 1 ATOM 819 N N . ARG A 1 111 ? 16.070 27.587 31.734 1.00 61.22 ? 334 ARG A N 1 ATOM 820 C CA . ARG A 1 111 ? 15.982 28.388 30.518 1.00 66.49 ? 334 ARG A CA 1 ATOM 821 C C . ARG A 1 111 ? 16.393 27.582 29.291 1.00 61.27 ? 334 ARG A C 1 ATOM 822 O O . ARG A 1 111 ? 16.945 28.129 28.338 1.00 59.92 ? 334 ARG A O 1 ATOM 823 C CB . ARG A 1 111 ? 16.851 29.645 30.638 1.00 78.60 ? 334 ARG A CB 1 ATOM 824 C CG . ARG A 1 111 ? 16.424 30.599 31.745 1.00 88.43 ? 334 ARG A CG 1 ATOM 825 C CD . ARG A 1 111 ? 15.032 31.149 31.482 1.00 102.36 ? 334 ARG A CD 1 ATOM 826 N NE . ARG A 1 111 ? 14.982 31.934 30.251 1.00 112.78 ? 334 ARG A NE 1 ATOM 827 C CZ . ARG A 1 111 ? 13.862 32.251 29.610 1.00 119.48 ? 334 ARG A CZ 1 ATOM 828 N NH1 . ARG A 1 111 ? 12.690 31.843 30.077 1.00 122.08 ? 334 ARG A NH1 1 ATOM 829 N NH2 . ARG A 1 111 ? 13.914 32.970 28.497 1.00 122.19 ? 334 ARG A NH2 1 ATOM 830 N N . GLY A 1 112 ? 16.130 26.279 29.320 1.00 52.96 ? 335 GLY A N 1 ATOM 831 C CA . GLY A 1 112 ? 16.408 25.421 28.180 1.00 58.83 ? 335 GLY A CA 1 ATOM 832 C C . GLY A 1 112 ? 17.874 25.068 28.000 1.00 61.32 ? 335 GLY A C 1 ATOM 833 O O . GLY A 1 112 ? 18.232 24.283 27.123 1.00 60.78 ? 335 GLY A O 1 ATOM 834 N N . VAL A 1 113 ? 18.726 25.655 28.832 1.00 61.06 ? 336 VAL A N 1 ATOM 835 C CA . VAL A 1 113 ? 20.154 25.387 28.776 1.00 57.50 ? 336 VAL A CA 1 ATOM 836 C C . VAL A 1 113 ? 20.433 23.941 29.160 1.00 59.64 ? 336 VAL A C 1 ATOM 837 O O . VAL A 1 113 ? 19.713 23.360 29.968 1.00 55.64 ? 336 VAL A O 1 ATOM 838 C CB . VAL A 1 113 ? 20.929 26.314 29.736 1.00 63.06 ? 336 VAL A CB 1 ATOM 839 C CG1 . VAL A 1 113 ? 22.404 25.952 29.756 1.00 69.60 ? 336 VAL A CG1 1 ATOM 840 C CG2 . VAL A 1 113 ? 20.735 27.770 29.342 1.00 65.04 ? 336 VAL A CG2 1 ATOM 841 N N . SER A 1 114 ? 21.467 23.355 28.568 1.00 52.97 ? 337 SER A N 1 ATOM 842 C CA . SER A 1 114 ? 21.957 22.059 29.019 1.00 52.92 ? 337 SER A CA 1 ATOM 843 C C . SER A 1 114 ? 23.434 22.179 29.349 1.00 55.99 ? 337 SER A C 1 ATOM 844 O O . SER A 1 114 ? 24.119 23.066 28.841 1.00 62.74 ? 337 SER A O 1 ATOM 845 C CB . SER A 1 114 ? 21.740 20.981 27.956 1.00 55.79 ? 337 SER A CB 1 ATOM 846 O OG . SER A 1 114 ? 20.371 20.631 27.851 1.00 54.17 ? 337 SER A OG 1 ATOM 847 N N . ALA A 1 115 ? 23.918 21.296 30.214 1.00 44.96 ? 338 ALA A N 1 ATOM 848 C CA . ALA A 1 115 ? 25.324 21.285 30.583 1.00 37.62 ? 338 ALA A CA 1 ATOM 849 C C . ALA A 1 115 ? 25.788 19.854 30.784 1.00 42.72 ? 338 ALA A C 1 ATOM 850 O O . ALA A 1 115 ? 25.159 19.087 31.515 1.00 40.69 ? 338 ALA A O 1 ATOM 851 C CB . ALA A 1 115 ? 25.547 22.098 31.849 1.00 35.81 ? 338 ALA A CB 1 ATOM 852 N N . TYR A 1 116 ? 26.893 19.502 30.137 1.00 44.85 ? 339 TYR A N 1 ATOM 853 C CA . TYR A 1 116 ? 27.441 18.154 30.214 1.00 46.69 ? 339 TYR A CA 1 ATOM 854 C C . TYR A 1 116 ? 28.888 18.171 30.693 1.00 45.86 ? 339 TYR A C 1 ATOM 855 O O . TYR A 1 116 ? 29.630 19.119 30.437 1.00 46.89 ? 339 TYR A O 1 ATOM 856 C CB . TYR A 1 116 ? 27.356 17.475 28.845 1.00 42.18 ? 339 TYR A CB 1 ATOM 857 C CG . TYR A 1 116 ? 26.029 17.676 28.155 1.00 51.87 ? 339 TYR A CG 1 ATOM 858 C CD1 . TYR A 1 116 ? 24.971 16.804 28.371 1.00 55.76 ? 339 TYR A CD1 1 ATOM 859 C CD2 . TYR A 1 116 ? 25.831 18.743 27.287 1.00 57.33 ? 339 TYR A CD2 1 ATOM 860 C CE1 . TYR A 1 116 ? 23.753 16.988 27.737 1.00 57.04 ? 339 TYR A CE1 1 ATOM 861 C CE2 . TYR A 1 116 ? 24.622 18.932 26.652 1.00 58.65 ? 339 TYR A CE2 1 ATOM 862 C CZ . TYR A 1 116 ? 23.586 18.054 26.880 1.00 61.06 ? 339 TYR A CZ 1 ATOM 863 O OH . TYR A 1 116 ? 22.377 18.243 26.246 1.00 66.70 ? 339 TYR A OH 1 ATOM 864 N N . LEU A 1 117 ? 29.288 17.112 31.386 1.00 38.93 ? 340 LEU A N 1 ATOM 865 C CA . LEU A 1 117 ? 30.640 17.014 31.914 1.00 32.97 ? 340 LEU A CA 1 ATOM 866 C C . LEU A 1 117 ? 31.167 15.606 31.688 1.00 41.79 ? 340 LEU A C 1 ATOM 867 O O . LEU A 1 117 ? 30.589 14.642 32.180 1.00 41.80 ? 340 LEU A O 1 ATOM 868 C CB . LEU A 1 117 ? 30.659 17.347 33.408 1.00 34.68 ? 340 LEU A CB 1 ATOM 869 C CG . LEU A 1 117 ? 32.041 17.213 34.051 1.00 36.88 ? 340 LEU A CG 1 ATOM 870 C CD1 . LEU A 1 117 ? 33.062 18.054 33.294 1.00 43.71 ? 340 LEU A CD1 1 ATOM 871 C CD2 . LEU A 1 117 ? 32.005 17.594 35.530 1.00 35.91 ? 340 LEU A CD2 1 ATOM 872 N N . SER A 1 118 ? 32.268 15.487 30.950 1.00 37.84 ? 341 SER A N 1 ATOM 873 C CA . SER A 1 118 ? 32.786 14.173 30.570 1.00 33.82 ? 341 SER A CA 1 ATOM 874 C C . SER A 1 118 ? 33.823 13.615 31.547 1.00 39.63 ? 341 SER A C 1 ATOM 875 O O . SER A 1 118 ? 34.357 14.340 32.387 1.00 48.22 ? 341 SER A O 1 ATOM 876 C CB . SER A 1 118 ? 33.395 14.247 29.172 1.00 44.37 ? 341 SER A CB 1 ATOM 877 O OG . SER A 1 118 ? 34.519 15.108 29.172 1.00 42.96 ? 341 SER A OG 1 ATOM 878 N N . ARG A 1 119 ? 34.088 12.314 31.444 1.00 27.53 ? 342 ARG A N 1 ATOM 879 C CA . ARG A 1 119 ? 35.227 11.704 32.130 1.00 26.92 ? 342 ARG A CA 1 ATOM 880 C C . ARG A 1 119 ? 36.408 11.712 31.161 1.00 30.91 ? 342 ARG A C 1 ATOM 881 O O . ARG A 1 119 ? 36.218 11.932 29.966 1.00 35.10 ? 342 ARG A O 1 ATOM 882 C CB . ARG A 1 119 ? 34.887 10.273 32.582 1.00 30.29 ? 342 ARG A CB 1 ATOM 883 C CG . ARG A 1 119 ? 33.832 10.231 33.684 1.00 35.17 ? 342 ARG A CG 1 ATOM 884 C CD . ARG A 1 119 ? 33.566 8.820 34.216 1.00 37.24 ? 342 ARG A CD 1 ATOM 885 N NE . ARG A 1 119 ? 32.710 8.042 33.328 1.00 55.44 ? 342 ARG A NE 1 ATOM 886 C CZ . ARG A 1 119 ? 31.862 7.106 33.743 1.00 65.64 ? 342 ARG A CZ 1 ATOM 887 N NH1 . ARG A 1 119 ? 31.742 6.838 35.038 1.00 67.05 ? 342 ARG A NH1 1 ATOM 888 N NH2 . ARG A 1 119 ? 31.124 6.443 32.864 1.00 73.58 ? 342 ARG A NH2 1 ATOM 889 N N . PRO A 1 120 ? 37.630 11.491 31.666 1.00 32.49 ? 343 PRO A N 1 ATOM 890 C CA . PRO A 1 120 ? 38.786 11.433 30.763 1.00 29.29 ? 343 PRO A CA 1 ATOM 891 C C . PRO A 1 120 ? 38.628 10.309 29.745 1.00 31.68 ? 343 PRO A C 1 ATOM 892 O O . PRO A 1 120 ? 37.929 9.330 30.016 1.00 31.79 ? 343 PRO A O 1 ATOM 893 C CB . PRO A 1 120 ? 39.954 11.120 31.709 1.00 30.37 ? 343 PRO A CB 1 ATOM 894 C CG . PRO A 1 120 ? 39.484 11.587 33.067 1.00 32.83 ? 343 PRO A CG 1 ATOM 895 C CD . PRO A 1 120 ? 38.014 11.321 33.079 1.00 35.71 ? 343 PRO A CD 1 ATOM 896 N N . SER A 1 121 ? 39.267 10.435 28.586 1.00 36.93 ? 344 SER A N 1 ATOM 897 C CA . SER A 1 121 ? 39.300 9.320 27.646 1.00 37.08 ? 344 SER A CA 1 ATOM 898 C C . SER A 1 121 ? 40.307 8.299 28.160 1.00 31.97 ? 344 SER A C 1 ATOM 899 O O . SER A 1 121 ? 41.347 8.672 28.702 1.00 34.00 ? 344 SER A O 1 ATOM 900 C CB . SER A 1 121 ? 39.684 9.789 26.242 1.00 43.07 ? 344 SER A CB 1 ATOM 901 O OG . SER A 1 121 ? 41.078 9.689 26.022 1.00 46.39 ? 344 SER A OG 1 ATOM 902 N N . PRO A 1 122 ? 39.992 7.003 28.023 1.00 31.34 ? 345 PRO A N 1 ATOM 903 C CA . PRO A 1 122 ? 40.950 5.984 28.457 1.00 29.92 ? 345 PRO A CA 1 ATOM 904 C C . PRO A 1 122 ? 42.297 6.136 27.762 1.00 35.01 ? 345 PRO A C 1 ATOM 905 O O . PRO A 1 122 ? 43.318 5.856 28.382 1.00 40.45 ? 345 PRO A O 1 ATOM 906 C CB . PRO A 1 122 ? 40.259 4.673 28.075 1.00 29.69 ? 345 PRO A CB 1 ATOM 907 C CG . PRO A 1 122 ? 38.798 5.001 28.205 1.00 30.97 ? 345 PRO A CG 1 ATOM 908 C CD . PRO A 1 122 ? 38.677 6.425 27.703 1.00 30.06 ? 345 PRO A CD 1 ATOM 909 N N . PHE A 1 123 ? 42.310 6.596 26.514 1.00 31.15 ? 346 PHE A N 1 ATOM 910 C CA . PHE A 1 123 ? 43.584 6.779 25.820 1.00 33.62 ? 346 PHE A CA 1 ATOM 911 C C . PHE A 1 123 ? 44.430 7.833 26.530 1.00 40.20 ? 346 PHE A C 1 ATOM 912 O O . PHE A 1 123 ? 45.605 7.608 26.820 1.00 39.10 ? 346 PHE A O 1 ATOM 913 C CB . PHE A 1 123 ? 43.380 7.180 24.362 1.00 36.06 ? 346 PHE A CB 1 ATOM 914 C CG . PHE A 1 123 ? 44.667 7.351 23.599 1.00 44.03 ? 346 PHE A CG 1 ATOM 915 C CD1 . PHE A 1 123 ? 45.433 6.251 23.254 1.00 45.61 ? 346 PHE A CD1 1 ATOM 916 C CD2 . PHE A 1 123 ? 45.112 8.609 23.232 1.00 46.51 ? 346 PHE A CD2 1 ATOM 917 C CE1 . PHE A 1 123 ? 46.618 6.402 22.556 1.00 50.86 ? 346 PHE A CE1 1 ATOM 918 C CE2 . PHE A 1 123 ? 46.298 8.767 22.533 1.00 48.62 ? 346 PHE A CE2 1 ATOM 919 C CZ . PHE A 1 123 ? 47.048 7.662 22.196 1.00 47.89 ? 346 PHE A CZ 1 ATOM 920 N N . ASP A 1 124 ? 43.815 8.978 26.812 1.00 36.08 ? 347 ASP A N 1 ATOM 921 C CA . ASP A 1 124 ? 44.491 10.078 27.496 1.00 41.61 ? 347 ASP A CA 1 ATOM 922 C C . ASP A 1 124 ? 44.931 9.686 28.901 1.00 38.49 ? 347 ASP A C 1 ATOM 923 O O . ASP A 1 124 ? 45.956 10.149 29.397 1.00 43.17 ? 347 ASP A O 1 ATOM 924 C CB . ASP A 1 124 ? 43.565 11.288 27.589 1.00 46.93 ? 347 ASP A CB 1 ATOM 925 C CG . ASP A 1 124 ? 43.407 12.003 26.267 1.00 51.63 ? 347 ASP A CG 1 ATOM 926 O OD1 . ASP A 1 124 ? 42.474 12.827 26.151 1.00 44.91 ? 347 ASP A OD1 1 ATOM 927 O OD2 . ASP A 1 124 ? 44.215 11.744 25.350 1.00 50.71 ? 347 ASP A OD2 1 ATOM 928 N N . LEU A 1 125 ? 44.141 8.836 29.543 1.00 35.51 ? 348 LEU A N 1 ATOM 929 C CA . LEU A 1 125 ? 44.388 8.464 30.927 1.00 43.38 ? 348 LEU A CA 1 ATOM 930 C C . LEU A 1 125 ? 45.491 7.416 31.065 1.00 47.17 ? 348 LEU A C 1 ATOM 931 O O . LEU A 1 125 ? 46.357 7.527 31.936 1.00 45.23 ? 348 LEU A O 1 ATOM 932 C CB . LEU A 1 125 ? 43.101 7.957 31.574 1.00 38.80 ? 348 LEU A CB 1 ATOM 933 C CG . LEU A 1 125 ? 43.203 7.591 33.052 1.00 39.23 ? 348 LEU A CG 1 ATOM 934 C CD1 . LEU A 1 125 ? 43.689 8.794 33.856 1.00 34.58 ? 348 LEU A CD1 1 ATOM 935 C CD2 . LEU A 1 125 ? 41.860 7.084 33.566 1.00 42.26 ? 348 LEU A CD2 1 ATOM 936 N N . PHE A 1 126 ? 45.465 6.406 30.203 1.00 37.48 ? 349 PHE A N 1 ATOM 937 C CA . PHE A 1 126 ? 46.369 5.273 30.355 1.00 43.93 ? 349 PHE A CA 1 ATOM 938 C C . PHE A 1 126 ? 47.550 5.275 29.392 1.00 48.00 ? 349 PHE A C 1 ATOM 939 O O . PHE A 1 126 ? 48.612 4.741 29.707 1.00 51.27 ? 349 PHE A O 1 ATOM 940 C CB . PHE A 1 126 ? 45.598 3.961 30.220 1.00 41.04 ? 349 PHE A CB 1 ATOM 941 C CG . PHE A 1 126 ? 44.485 3.813 31.207 1.00 40.72 ? 349 PHE A CG 1 ATOM 942 C CD1 . PHE A 1 126 ? 44.755 3.703 32.559 1.00 42.79 ? 349 PHE A CD1 1 ATOM 943 C CD2 . PHE A 1 126 ? 43.169 3.776 30.788 1.00 39.76 ? 349 PHE A CD2 1 ATOM 944 C CE1 . PHE A 1 126 ? 43.733 3.565 33.465 1.00 33.25 ? 349 PHE A CE1 1 ATOM 945 C CE2 . PHE A 1 126 ? 42.148 3.627 31.694 1.00 38.42 ? 349 PHE A CE2 1 ATOM 946 C CZ . PHE A 1 126 ? 42.430 3.524 33.037 1.00 38.87 ? 349 PHE A CZ 1 ATOM 947 N N . ILE A 1 127 ? 47.367 5.859 28.215 1.00 47.52 ? 350 ILE A N 1 ATOM 948 C CA . ILE A 1 127 ? 48.425 5.854 27.209 1.00 48.50 ? 350 ILE A CA 1 ATOM 949 C C . ILE A 1 127 ? 49.186 7.175 27.202 1.00 49.64 ? 350 ILE A C 1 ATOM 950 O O . ILE A 1 127 ? 50.404 7.205 27.361 1.00 50.57 ? 350 ILE A O 1 ATOM 951 C CB . ILE A 1 127 ? 47.871 5.580 25.792 1.00 46.02 ? 350 ILE A CB 1 ATOM 952 C CG1 . ILE A 1 127 ? 47.032 4.301 25.781 1.00 48.50 ? 350 ILE A CG1 1 ATOM 953 C CG2 . ILE A 1 127 ? 49.002 5.486 24.782 1.00 52.42 ? 350 ILE A CG2 1 ATOM 954 C CD1 . ILE A 1 127 ? 47.738 3.103 26.371 1.00 49.63 ? 350 ILE A CD1 1 ATOM 955 N N . ARG A 1 128 ? 48.451 8.264 27.019 1.00 49.21 ? 351 ARG A N 1 ATOM 956 C CA . ARG A 1 128 ? 49.034 9.595 26.921 1.00 47.14 ? 351 ARG A CA 1 ATOM 957 C C . ARG A 1 128 ? 49.451 10.110 28.294 1.00 52.49 ? 351 ARG A C 1 ATOM 958 O O . ARG A 1 128 ? 50.314 10.980 28.404 1.00 54.21 ? 351 ARG A O 1 ATOM 959 C CB . ARG A 1 128 ? 48.011 10.538 26.297 1.00 52.17 ? 351 ARG A CB 1 ATOM 960 C CG . ARG A 1 128 ? 48.557 11.839 25.777 1.00 63.34 ? 351 ARG A CG 1 ATOM 961 C CD . ARG A 1 128 ? 47.464 12.566 25.023 1.00 75.27 ? 351 ARG A CD 1 ATOM 962 N NE . ARG A 1 128 ? 47.941 13.784 24.382 1.00 92.80 ? 351 ARG A NE 1 ATOM 963 C CZ . ARG A 1 128 ? 47.192 14.544 23.591 1.00 104.74 ? 351 ARG A CZ 1 ATOM 964 N NH1 . ARG A 1 128 ? 45.934 14.205 23.346 1.00 105.31 ? 351 ARG A NH1 1 ATOM 965 N NH2 . ARG A 1 128 ? 47.699 15.642 23.045 1.00 110.77 ? 351 ARG A NH2 1 ATOM 966 N N . LYS A 1 129 ? 48.826 9.569 29.336 1.00 54.63 ? 352 LYS A N 1 ATOM 967 C CA . LYS A 1 129 ? 49.115 9.961 30.713 1.00 51.00 ? 352 LYS A CA 1 ATOM 968 C C . LYS A 1 129 ? 48.873 11.449 30.952 1.00 55.49 ? 352 LYS A C 1 ATOM 969 O O . LYS A 1 129 ? 49.573 12.080 31.743 1.00 53.65 ? 352 LYS A O 1 ATOM 970 C CB . LYS A 1 129 ? 50.556 9.605 31.084 1.00 65.17 ? 352 LYS A CB 1 ATOM 971 C CG . LYS A 1 129 ? 50.903 8.132 30.930 1.00 76.37 ? 352 LYS A CG 1 ATOM 972 C CD . LYS A 1 129 ? 50.364 7.298 32.082 1.00 84.22 ? 352 LYS A CD 1 ATOM 973 C CE . LYS A 1 129 ? 50.946 5.889 32.057 1.00 90.95 ? 352 LYS A CE 1 ATOM 974 N NZ . LYS A 1 129 ? 50.442 5.040 33.174 1.00 92.44 ? 352 LYS A NZ 1 ATOM 975 N N . SER A 1 130 ? 47.890 12.010 30.255 1.00 43.30 ? 353 SER A N 1 ATOM 976 C CA . SER A 1 130 ? 47.475 13.384 30.500 1.00 46.31 ? 353 SER A CA 1 ATOM 977 C C . SER A 1 130 ? 45.961 13.506 30.356 1.00 45.21 ? 353 SER A C 1 ATOM 978 O O . SER A 1 130 ? 45.459 14.047 29.377 1.00 41.39 ? 353 SER A O 1 ATOM 979 C CB . SER A 1 130 ? 48.204 14.364 29.576 1.00 54.04 ? 353 SER A CB 1 ATOM 980 O OG . SER A 1 130 ? 47.700 14.315 28.256 1.00 61.93 ? 353 SER A OG 1 ATOM 981 N N . PRO A 1 131 ? 45.230 12.991 31.351 1.00 45.35 ? 354 PRO A N 1 ATOM 982 C CA . PRO A 1 131 ? 43.765 12.990 31.369 1.00 48.51 ? 354 PRO A CA 1 ATOM 983 C C . PRO A 1 131 ? 43.189 14.398 31.500 1.00 42.56 ? 354 PRO A C 1 ATOM 984 O O . PRO A 1 131 ? 43.723 15.220 32.246 1.00 41.42 ? 354 PRO A O 1 ATOM 985 C CB . PRO A 1 131 ? 43.447 12.180 32.627 1.00 45.39 ? 354 PRO A CB 1 ATOM 986 C CG . PRO A 1 131 ? 44.664 12.370 33.492 1.00 47.38 ? 354 PRO A CG 1 ATOM 987 C CD . PRO A 1 131 ? 45.781 12.273 32.511 1.00 42.54 ? 354 PRO A CD 1 ATOM 988 N N . THR A 1 132 ? 42.107 14.663 30.775 1.00 36.83 ? 355 THR A N 1 ATOM 989 C CA . THR A 1 132 ? 41.394 15.931 30.876 1.00 41.13 ? 355 THR A CA 1 ATOM 990 C C . THR A 1 132 ? 39.896 15.661 30.939 1.00 37.89 ? 355 THR A C 1 ATOM 991 O O . THR A 1 132 ? 39.432 14.611 30.498 1.00 38.74 ? 355 THR A O 1 ATOM 992 C CB . THR A 1 132 ? 41.653 16.818 29.648 1.00 45.72 ? 355 THR A CB 1 ATOM 993 O OG1 . THR A 1 132 ? 41.020 16.233 28.502 1.00 40.99 ? 355 THR A OG1 1 ATOM 994 C CG2 . THR A 1 132 ? 43.148 16.956 29.382 1.00 46.00 ? 355 THR A CG2 1 ATOM 995 N N . ILE A 1 133 ? 39.138 16.600 31.489 1.00 37.28 ? 356 ILE A N 1 ATOM 996 C CA . ILE A 1 133 ? 37.686 16.505 31.439 1.00 34.83 ? 356 ILE A CA 1 ATOM 997 C C . ILE A 1 133 ? 37.113 17.764 30.809 1.00 31.23 ? 356 ILE A C 1 ATOM 998 O O . ILE A 1 133 ? 37.709 18.841 30.894 1.00 35.87 ? 356 ILE A O 1 ATOM 999 C CB . ILE A 1 133 ? 37.063 16.277 32.832 1.00 34.79 ? 356 ILE A CB 1 ATOM 1000 C CG1 . ILE A 1 133 ? 37.426 17.430 33.771 1.00 37.55 ? 356 ILE A CG1 1 ATOM 1001 C CG2 . ILE A 1 133 ? 37.526 14.959 33.405 1.00 33.10 ? 356 ILE A CG2 1 ATOM 1002 C CD1 . ILE A 1 133 ? 36.971 17.205 35.199 1.00 38.79 ? 356 ILE A CD1 1 ATOM 1003 N N . THR A 1 134 ? 35.957 17.626 30.168 1.00 34.13 ? 357 THR A N 1 ATOM 1004 C CA . THR A 1 134 ? 35.369 18.735 29.431 1.00 37.23 ? 357 THR A CA 1 ATOM 1005 C C . THR A 1 134 ? 33.955 19.077 29.889 1.00 34.50 ? 357 THR A C 1 ATOM 1006 O O . THR A 1 134 ? 33.081 18.208 29.972 1.00 32.91 ? 357 THR A O 1 ATOM 1007 C CB . THR A 1 134 ? 35.381 18.472 27.910 1.00 37.06 ? 357 THR A CB 1 ATOM 1008 O OG1 . THR A 1 134 ? 36.734 18.275 27.474 1.00 38.52 ? 357 THR A OG1 1 ATOM 1009 C CG2 . THR A 1 134 ? 34.778 19.653 27.162 1.00 36.65 ? 357 THR A CG2 1 ATOM 1010 N N . CYS A 1 135 ? 33.754 20.354 30.196 1.00 38.78 ? 358 CYS A N 1 ATOM 1011 C CA . CYS A 1 135 ? 32.442 20.872 30.537 1.00 37.26 ? 358 CYS A CA 1 ATOM 1012 C C . CYS A 1 135 ? 31.873 21.627 29.346 1.00 47.49 ? 358 CYS A C 1 ATOM 1013 O O . CYS A 1 135 ? 32.480 22.574 28.837 1.00 41.77 ? 358 CYS A O 1 ATOM 1014 C CB . CYS A 1 135 ? 32.512 21.781 31.765 1.00 42.86 ? 358 CYS A CB 1 ATOM 1015 S SG . CYS A 1 135 ? 30.892 22.334 32.316 1.00 50.51 ? 358 CYS A SG 1 ATOM 1016 N N . LEU A 1 136 ? 30.704 21.187 28.898 1.00 46.86 ? 359 LEU A N 1 ATOM 1017 C CA . LEU A 1 136 ? 30.050 21.779 27.743 1.00 50.74 ? 359 LEU A CA 1 ATOM 1018 C C . LEU A 1 136 ? 28.688 22.319 28.137 1.00 45.62 ? 359 LEU A C 1 ATOM 1019 O O . LEU A 1 136 ? 27.905 21.631 28.797 1.00 42.68 ? 359 LEU A O 1 ATOM 1020 C CB . LEU A 1 136 ? 29.886 20.739 26.637 1.00 46.93 ? 359 LEU A CB 1 ATOM 1021 C CG . LEU A 1 136 ? 29.106 21.210 25.408 1.00 50.59 ? 359 LEU A CG 1 ATOM 1022 C CD1 . LEU A 1 136 ? 29.827 22.369 24.729 1.00 50.64 ? 359 LEU A CD1 1 ATOM 1023 C CD2 . LEU A 1 136 ? 28.894 20.064 24.443 1.00 48.96 ? 359 LEU A CD2 1 ATOM 1024 N N . VAL A 1 137 ? 28.410 23.551 27.731 1.00 48.28 ? 360 VAL A N 1 ATOM 1025 C CA . VAL A 1 137 ? 27.134 24.185 28.024 1.00 52.83 ? 360 VAL A CA 1 ATOM 1026 C C . VAL A 1 137 ? 26.508 24.635 26.715 1.00 52.86 ? 360 VAL A C 1 ATOM 1027 O O . VAL A 1 137 ? 27.138 25.350 25.939 1.00 51.92 ? 360 VAL A O 1 ATOM 1028 C CB . VAL A 1 137 ? 27.312 25.407 28.941 1.00 53.60 ? 360 VAL A CB 1 ATOM 1029 C CG1 . VAL A 1 137 ? 25.980 25.803 29.570 1.00 54.20 ? 360 VAL A CG1 1 ATOM 1030 C CG2 . VAL A 1 137 ? 28.350 25.118 30.011 1.00 55.58 ? 360 VAL A CG2 1 ATOM 1031 N N . VAL A 1 138 ? 25.274 24.213 26.465 1.00 53.06 ? 361 VAL A N 1 ATOM 1032 C CA . VAL A 1 138 ? 24.618 24.530 25.201 1.00 54.05 ? 361 VAL A CA 1 ATOM 1033 C C . VAL A 1 138 ? 23.277 25.233 25.383 1.00 52.46 ? 361 VAL A C 1 ATOM 1034 O O . VAL A 1 138 ? 22.602 25.061 26.403 1.00 53.65 ? 361 VAL A O 1 ATOM 1035 C CB . VAL A 1 138 ? 24.416 23.269 24.334 1.00 53.91 ? 361 VAL A CB 1 ATOM 1036 C CG1 . VAL A 1 138 ? 25.720 22.490 24.217 1.00 53.24 ? 361 VAL A CG1 1 ATOM 1037 C CG2 . VAL A 1 138 ? 23.315 22.395 24.908 1.00 54.64 ? 361 VAL A CG2 1 ATOM 1038 N N . ASP A 1 139 ? 22.909 26.031 24.383 1.00 53.70 ? 362 ASP A N 1 ATOM 1039 C CA . ASP A 1 139 ? 21.607 26.695 24.326 1.00 59.83 ? 362 ASP A CA 1 ATOM 1040 C C . ASP A 1 139 ? 21.455 27.882 25.273 1.00 62.74 ? 362 ASP A C 1 ATOM 1041 O O . ASP A 1 139 ? 20.353 28.160 25.741 1.00 65.60 ? 362 ASP A O 1 ATOM 1042 C CB . ASP A 1 139 ? 20.465 25.700 24.562 1.00 56.41 ? 362 ASP A CB 1 ATOM 1043 C CG . ASP A 1 139 ? 20.160 24.861 23.341 1.00 68.19 ? 362 ASP A CG 1 ATOM 1044 O OD1 . ASP A 1 139 ? 19.637 23.737 23.504 1.00 64.87 ? 362 ASP A OD1 1 ATOM 1045 O OD2 . ASP A 1 139 ? 20.447 25.327 22.217 1.00 75.28 ? 362 ASP A OD2 1 ATOM 1046 N N . LEU A 1 140 ? 22.544 28.586 25.555 1.00 60.90 ? 363 LEU A N 1 ATOM 1047 C CA . LEU A 1 140 ? 22.421 29.813 26.336 1.00 86.10 ? 363 LEU A CA 1 ATOM 1048 C C . LEU A 1 140 ? 22.344 31.043 25.428 1.00 104.25 ? 363 LEU A C 1 ATOM 1049 O O . LEU A 1 140 ? 22.972 31.087 24.370 1.00 103.89 ? 363 LEU A O 1 ATOM 1050 C CB . LEU A 1 140 ? 23.531 29.931 27.388 1.00 90.74 ? 363 LEU A CB 1 ATOM 1051 C CG . LEU A 1 140 ? 24.954 29.494 27.046 1.00 88.83 ? 363 LEU A CG 1 ATOM 1052 C CD1 . LEU A 1 140 ? 25.666 30.592 26.295 1.00 98.97 ? 363 LEU A CD1 1 ATOM 1053 C CD2 . LEU A 1 140 ? 25.713 29.157 28.313 1.00 80.73 ? 363 LEU A CD2 1 ATOM 1054 N N . ALA A 1 141 ? 21.548 32.026 25.841 1.00 121.46 ? 364 ALA A N 1 ATOM 1055 C CA . ALA A 1 141 ? 21.296 33.214 25.030 1.00 134.78 ? 364 ALA A CA 1 ATOM 1056 C C . ALA A 1 141 ? 22.531 34.097 24.908 1.00 145.44 ? 364 ALA A C 1 ATOM 1057 O O . ALA A 1 141 ? 23.291 34.246 25.863 1.00 148.34 ? 364 ALA A O 1 ATOM 1058 C CB . ALA A 1 141 ? 20.130 34.008 25.602 1.00 136.50 ? 364 ALA A CB 1 ATOM 1059 N N . PRO A 1 142 ? 22.734 34.686 23.720 1.00 152.24 ? 365 PRO A N 1 ATOM 1060 C CA . PRO A 1 142 ? 23.872 35.569 23.444 1.00 155.24 ? 365 PRO A CA 1 ATOM 1061 C C . PRO A 1 142 ? 23.725 36.939 24.101 1.00 155.09 ? 365 PRO A C 1 ATOM 1062 O O . PRO A 1 142 ? 24.308 37.908 23.617 1.00 158.46 ? 365 PRO A O 1 ATOM 1063 C CB . PRO A 1 142 ? 23.837 35.722 21.917 1.00 157.80 ? 365 PRO A CB 1 ATOM 1064 C CG . PRO A 1 142 ? 22.938 34.630 21.423 1.00 157.40 ? 365 PRO A CG 1 ATOM 1065 C CD . PRO A 1 142 ? 21.940 34.425 22.510 1.00 155.44 ? 365 PRO A CD 1 ATOM 1066 N N . SER A 1 143 ? 22.959 37.019 25.183 1.00 151.07 ? 366 SER A N 1 ATOM 1067 C CA . SER A 1 143 ? 22.774 38.281 25.889 1.00 151.39 ? 366 SER A CA 1 ATOM 1068 C C . SER A 1 143 ? 24.108 38.815 26.403 1.00 150.48 ? 366 SER A C 1 ATOM 1069 O O . SER A 1 143 ? 25.146 38.176 26.238 1.00 148.23 ? 366 SER A O 1 ATOM 1070 C CB . SER A 1 143 ? 21.789 38.114 27.047 1.00 151.59 ? 366 SER A CB 1 ATOM 1071 O OG . SER A 1 143 ? 22.285 37.205 28.013 1.00 149.77 ? 366 SER A OG 1 ATOM 1072 N N . LYS A 1 144 ? 24.076 39.990 27.023 1.00 151.45 ? 367 LYS A N 1 ATOM 1073 C CA . LYS A 1 144 ? 25.288 40.602 27.555 1.00 149.96 ? 367 LYS A CA 1 ATOM 1074 C C . LYS A 1 144 ? 25.839 39.808 28.736 1.00 148.44 ? 367 LYS A C 1 ATOM 1075 O O . LYS A 1 144 ? 25.283 38.778 29.118 1.00 148.14 ? 367 LYS A O 1 ATOM 1076 C CB . LYS A 1 144 ? 25.026 42.051 27.967 1.00 151.43 ? 367 LYS A CB 1 ATOM 1077 C CG . LYS A 1 144 ? 23.894 42.223 28.964 1.00 152.71 ? 367 LYS A CG 1 ATOM 1078 C CD . LYS A 1 144 ? 23.719 43.685 29.338 1.00 157.00 ? 367 LYS A CD 1 ATOM 1079 C CE . LYS A 1 144 ? 23.518 44.548 28.102 1.00 159.87 ? 367 LYS A CE 1 ATOM 1080 N NZ . LYS A 1 144 ? 23.458 45.998 28.432 1.00 162.89 ? 367 LYS A NZ 1 ATOM 1081 N N . GLY A 1 145 ? 26.936 40.292 29.311 1.00 144.84 ? 368 GLY A N 1 ATOM 1082 C CA . GLY A 1 145 ? 27.580 39.607 30.416 1.00 137.14 ? 368 GLY A CA 1 ATOM 1083 C C . GLY A 1 145 ? 28.349 38.387 29.948 1.00 128.17 ? 368 GLY A C 1 ATOM 1084 O O . GLY A 1 145 ? 28.021 37.791 28.922 1.00 130.25 ? 368 GLY A O 1 ATOM 1085 N N . THR A 1 146 ? 29.377 38.012 30.702 1.00 117.02 ? 369 THR A N 1 ATOM 1086 C CA . THR A 1 146 ? 30.207 36.870 30.340 1.00 108.36 ? 369 THR A CA 1 ATOM 1087 C C . THR A 1 146 ? 29.777 35.610 31.080 1.00 101.48 ? 369 THR A C 1 ATOM 1088 O O . THR A 1 146 ? 29.258 35.678 32.196 1.00 99.50 ? 369 THR A O 1 ATOM 1089 C CB . THR A 1 146 ? 31.695 37.137 30.639 1.00 109.51 ? 369 THR A CB 1 ATOM 1090 O OG1 . THR A 1 146 ? 31.834 37.613 31.983 1.00 112.39 ? 369 THR A OG1 1 ATOM 1091 C CG2 . THR A 1 146 ? 32.257 38.174 29.678 1.00 110.59 ? 369 THR A CG2 1 ATOM 1092 N N . VAL A 1 147 ? 29.992 34.459 30.452 1.00 96.77 ? 370 VAL A N 1 ATOM 1093 C CA . VAL A 1 147 ? 29.711 33.182 31.094 1.00 92.00 ? 370 VAL A CA 1 ATOM 1094 C C . VAL A 1 147 ? 30.892 32.758 31.952 1.00 86.21 ? 370 VAL A C 1 ATOM 1095 O O . VAL A 1 147 ? 31.975 32.477 31.435 1.00 88.73 ? 370 VAL A O 1 ATOM 1096 C CB . VAL A 1 147 ? 29.420 32.073 30.066 1.00 87.78 ? 370 VAL A CB 1 ATOM 1097 C CG1 . VAL A 1 147 ? 29.236 30.738 30.771 1.00 85.17 ? 370 VAL A CG1 1 ATOM 1098 C CG2 . VAL A 1 147 ? 28.191 32.418 29.249 1.00 91.22 ? 370 VAL A CG2 1 ATOM 1099 N N . GLN A 1 148 ? 30.684 32.727 33.264 1.00 77.44 ? 371 GLN A N 1 ATOM 1100 C CA . GLN A 1 148 ? 31.717 32.270 34.182 1.00 80.00 ? 371 GLN A CA 1 ATOM 1101 C C . GLN A 1 148 ? 31.684 30.753 34.300 1.00 73.29 ? 371 GLN A C 1 ATOM 1102 O O . GLN A 1 148 ? 30.656 30.160 34.628 1.00 66.80 ? 371 GLN A O 1 ATOM 1103 C CB . GLN A 1 148 ? 31.549 32.904 35.563 1.00 87.84 ? 371 GLN A CB 1 ATOM 1104 C CG . GLN A 1 148 ? 31.897 34.380 35.624 1.00 102.03 ? 371 GLN A CG 1 ATOM 1105 C CD . GLN A 1 148 ? 31.736 34.953 37.020 1.00 112.51 ? 371 GLN A CD 1 ATOM 1106 O OE1 . GLN A 1 148 ? 31.735 34.217 38.009 1.00 115.24 ? 371 GLN A OE1 1 ATOM 1107 N NE2 . GLN A 1 148 ? 31.597 36.272 37.108 1.00 116.93 ? 371 GLN A NE2 1 ATOM 1108 N N . LEU A 1 149 ? 32.820 30.130 34.023 1.00 70.16 ? 372 LEU A N 1 ATOM 1109 C CA . LEU A 1 149 ? 32.928 28.687 34.098 1.00 62.77 ? 372 LEU A CA 1 ATOM 1110 C C . LEU A 1 149 ? 34.134 28.323 34.949 1.00 66.76 ? 372 LEU A C 1 ATOM 1111 O O . LEU A 1 149 ? 35.274 28.390 34.488 1.00 72.64 ? 372 LEU A O 1 ATOM 1112 C CB . LEU A 1 149 ? 33.046 28.090 32.693 1.00 62.86 ? 372 LEU A CB 1 ATOM 1113 C CG . LEU A 1 149 ? 33.140 26.568 32.607 1.00 63.95 ? 372 LEU A CG 1 ATOM 1114 C CD1 . LEU A 1 149 ? 32.483 25.965 33.817 1.00 68.80 ? 372 LEU A CD1 1 ATOM 1115 C CD2 . LEU A 1 149 ? 32.474 26.065 31.339 1.00 61.15 ? 372 LEU A CD2 1 ATOM 1116 N N . THR A 1 150 ? 33.876 27.936 36.194 1.00 60.61 ? 373 THR A N 1 ATOM 1117 C CA . THR A 1 150 ? 34.956 27.634 37.124 1.00 59.60 ? 373 THR A CA 1 ATOM 1118 C C . THR A 1 150 ? 34.992 26.170 37.553 1.00 54.10 ? 373 THR A C 1 ATOM 1119 O O . THR A 1 150 ? 33.966 25.489 37.620 1.00 51.06 ? 373 THR A O 1 ATOM 1120 C CB . THR A 1 150 ? 34.907 28.540 38.366 1.00 63.07 ? 373 THR A CB 1 ATOM 1121 O OG1 . THR A 1 150 ? 33.680 28.324 39.071 1.00 63.10 ? 373 THR A OG1 1 ATOM 1122 C CG2 . THR A 1 150 ? 35.003 30.000 37.951 1.00 64.32 ? 373 THR A CG2 1 ATOM 1123 N N . TRP A 1 151 ? 36.196 25.698 37.844 1.00 56.74 ? 374 TRP A N 1 ATOM 1124 C CA . TRP A 1 151 ? 36.414 24.308 38.204 1.00 53.85 ? 374 TRP A CA 1 ATOM 1125 C C . TRP A 1 151 ? 36.728 24.188 39.686 1.00 48.78 ? 374 TRP A C 1 ATOM 1126 O O . TRP A 1 151 ? 37.240 25.123 40.295 1.00 51.02 ? 374 TRP A O 1 ATOM 1127 C CB . TRP A 1 151 ? 37.572 23.738 37.387 1.00 50.86 ? 374 TRP A CB 1 ATOM 1128 C CG . TRP A 1 151 ? 37.271 23.611 35.935 1.00 49.48 ? 374 TRP A CG 1 ATOM 1129 C CD1 . TRP A 1 151 ? 37.555 24.513 34.953 1.00 50.52 ? 374 TRP A CD1 1 ATOM 1130 C CD2 . TRP A 1 151 ? 36.626 22.507 35.294 1.00 47.56 ? 374 TRP A CD2 1 ATOM 1131 N NE1 . TRP A 1 151 ? 37.122 24.039 33.736 1.00 56.94 ? 374 TRP A NE1 1 ATOM 1132 C CE2 . TRP A 1 151 ? 36.548 22.808 33.919 1.00 54.92 ? 374 TRP A CE2 1 ATOM 1133 C CE3 . TRP A 1 151 ? 36.103 21.293 35.752 1.00 50.31 ? 374 TRP A CE3 1 ATOM 1134 C CZ2 . TRP A 1 151 ? 35.969 21.938 32.995 1.00 45.20 ? 374 TRP A CZ2 1 ATOM 1135 C CZ3 . TRP A 1 151 ? 35.532 20.430 34.835 1.00 46.97 ? 374 TRP A CZ3 1 ATOM 1136 C CH2 . TRP A 1 151 ? 35.470 20.757 33.470 1.00 38.01 ? 374 TRP A CH2 1 ATOM 1137 N N . SER A 1 152 ? 36.420 23.030 40.260 1.00 42.03 ? 375 SER A N 1 ATOM 1138 C CA . SER A 1 152 ? 36.731 22.758 41.657 1.00 46.03 ? 375 SER A CA 1 ATOM 1139 C C . SER A 1 152 ? 36.768 21.255 41.928 1.00 47.80 ? 375 SER A C 1 ATOM 1140 O O . SER A 1 152 ? 36.161 20.464 41.200 1.00 48.10 ? 375 SER A O 1 ATOM 1141 C CB . SER A 1 152 ? 35.717 23.440 42.584 1.00 48.47 ? 375 SER A CB 1 ATOM 1142 O OG . SER A 1 152 ? 34.386 23.036 42.290 1.00 43.71 ? 375 SER A OG 1 ATOM 1143 N N . ARG A 1 153 ? 37.493 20.865 42.972 1.00 51.15 ? 376 ARG A N 1 ATOM 1144 C CA . ARG A 1 153 ? 37.515 19.478 43.415 1.00 49.36 ? 376 ARG A CA 1 ATOM 1145 C C . ARG A 1 153 ? 36.693 19.365 44.689 1.00 51.22 ? 376 ARG A C 1 ATOM 1146 O O . ARG A 1 153 ? 36.680 20.284 45.505 1.00 49.10 ? 376 ARG A O 1 ATOM 1147 C CB . ARG A 1 153 ? 38.953 19.008 43.643 1.00 42.73 ? 376 ARG A CB 1 ATOM 1148 C CG . ARG A 1 153 ? 39.779 18.954 42.360 1.00 50.19 ? 376 ARG A CG 1 ATOM 1149 C CD . ARG A 1 153 ? 41.278 18.999 42.632 1.00 56.52 ? 376 ARG A CD 1 ATOM 1150 N NE . ARG A 1 153 ? 41.766 17.794 43.293 1.00 58.62 ? 376 ARG A NE 1 ATOM 1151 C CZ . ARG A 1 153 ? 43.047 17.555 43.558 1.00 64.60 ? 376 ARG A CZ 1 ATOM 1152 N NH1 . ARG A 1 153 ? 43.975 18.442 43.219 1.00 64.20 ? 376 ARG A NH1 1 ATOM 1153 N NH2 . ARG A 1 153 ? 43.401 16.431 44.163 1.00 59.49 ? 376 ARG A NH2 1 ATOM 1154 N N . ALA A 1 154 ? 35.983 18.254 44.847 1.00 49.06 ? 377 ALA A N 1 ATOM 1155 C CA . ALA A 1 154 ? 35.154 18.057 46.027 1.00 50.53 ? 377 ALA A CA 1 ATOM 1156 C C . ALA A 1 154 ? 36.021 18.174 47.270 1.00 55.98 ? 377 ALA A C 1 ATOM 1157 O O . ALA A 1 154 ? 35.614 18.753 48.280 1.00 57.64 ? 377 ALA A O 1 ATOM 1158 C CB . ALA A 1 154 ? 34.474 16.707 45.979 1.00 46.77 ? 377 ALA A CB 1 ATOM 1159 N N . SER A 1 155 ? 37.228 17.627 47.177 1.00 58.73 ? 378 SER A N 1 ATOM 1160 C CA . SER A 1 155 ? 38.188 17.674 48.270 1.00 53.66 ? 378 SER A CA 1 ATOM 1161 C C . SER A 1 155 ? 38.587 19.110 48.600 1.00 61.90 ? 378 SER A C 1 ATOM 1162 O O . SER A 1 155 ? 38.992 19.407 49.722 1.00 66.19 ? 378 SER A O 1 ATOM 1163 C CB . SER A 1 155 ? 39.430 16.864 47.908 1.00 57.38 ? 378 SER A CB 1 ATOM 1164 O OG . SER A 1 155 ? 40.110 17.447 46.812 1.00 63.48 ? 378 SER A OG 1 ATOM 1165 N N . GLY A 1 156 ? 38.475 19.996 47.617 1.00 63.14 ? 379 GLY A N 1 ATOM 1166 C CA . GLY A 1 156 ? 38.837 21.387 47.805 1.00 64.00 ? 379 GLY A CA 1 ATOM 1167 C C . GLY A 1 156 ? 40.285 21.671 47.448 1.00 66.83 ? 379 GLY A C 1 ATOM 1168 O O . GLY A 1 156 ? 40.781 22.775 47.671 1.00 72.63 ? 379 GLY A O 1 ATOM 1169 N N . LYS A 1 157 ? 40.967 20.673 46.893 1.00 62.28 ? 380 LYS A N 1 ATOM 1170 C CA . LYS A 1 157 ? 42.355 20.838 46.471 1.00 63.78 ? 380 LYS A CA 1 ATOM 1171 C C . LYS A 1 157 ? 42.447 21.669 45.194 1.00 62.83 ? 380 LYS A C 1 ATOM 1172 O O . LYS A 1 157 ? 41.474 21.793 44.454 1.00 59.97 ? 380 LYS A O 1 ATOM 1173 C CB . LYS A 1 157 ? 43.024 19.478 46.265 1.00 68.29 ? 380 LYS A CB 1 ATOM 1174 C CG . LYS A 1 157 ? 43.149 18.639 47.527 1.00 79.11 ? 380 LYS A CG 1 ATOM 1175 C CD . LYS A 1 157 ? 44.159 17.518 47.335 1.00 92.52 ? 380 LYS A CD 1 ATOM 1176 C CE . LYS A 1 157 ? 44.137 16.536 48.495 1.00 98.43 ? 380 LYS A CE 1 ATOM 1177 N NZ . LYS A 1 157 ? 42.894 15.715 48.496 1.00 102.95 ? 380 LYS A NZ 1 ATOM 1178 N N . PRO A 1 158 ? 43.625 22.246 44.931 1.00 75.02 ? 381 PRO A N 1 ATOM 1179 C CA . PRO A 1 158 ? 43.810 23.116 43.767 1.00 78.27 ? 381 PRO A CA 1 ATOM 1180 C C . PRO A 1 158 ? 43.525 22.431 42.430 1.00 72.15 ? 381 PRO A C 1 ATOM 1181 O O . PRO A 1 158 ? 43.734 21.226 42.277 1.00 72.16 ? 381 PRO A O 1 ATOM 1182 C CB . PRO A 1 158 ? 45.296 23.496 43.860 1.00 83.96 ? 381 PRO A CB 1 ATOM 1183 C CG . PRO A 1 158 ? 45.901 22.442 44.751 1.00 87.42 ? 381 PRO A CG 1 ATOM 1184 C CD . PRO A 1 158 ? 44.836 22.211 45.764 1.00 83.90 ? 381 PRO A CD 1 ATOM 1185 N N . VAL A 1 159 ? 43.036 23.214 41.476 1.00 66.32 ? 382 VAL A N 1 ATOM 1186 C CA . VAL A 1 159 ? 42.914 22.781 40.090 1.00 60.07 ? 382 VAL A CA 1 ATOM 1187 C C . VAL A 1 159 ? 43.774 23.699 39.220 1.00 60.53 ? 382 VAL A C 1 ATOM 1188 O O . VAL A 1 159 ? 44.109 24.811 39.626 1.00 62.25 ? 382 VAL A O 1 ATOM 1189 C CB . VAL A 1 159 ? 41.452 22.829 39.605 1.00 57.99 ? 382 VAL A CB 1 ATOM 1190 C CG1 . VAL A 1 159 ? 40.589 21.857 40.405 1.00 53.57 ? 382 VAL A CG1 1 ATOM 1191 C CG2 . VAL A 1 159 ? 40.899 24.239 39.713 1.00 61.32 ? 382 VAL A CG2 1 ATOM 1192 N N . ASN A 1 160 ? 44.142 23.236 38.032 1.00 64.92 ? 383 ASN A N 1 ATOM 1193 C CA . ASN A 1 160 ? 44.916 24.064 37.114 1.00 80.48 ? 383 ASN A CA 1 ATOM 1194 C C . ASN A 1 160 ? 44.003 24.984 36.316 1.00 73.51 ? 383 ASN A C 1 ATOM 1195 O O . ASN A 1 160 ? 42.783 24.945 36.478 1.00 61.08 ? 383 ASN A O 1 ATOM 1196 C CB . ASN A 1 160 ? 45.741 23.194 36.163 1.00 89.66 ? 383 ASN A CB 1 ATOM 1197 C CG . ASN A 1 160 ? 46.813 22.397 36.882 1.00 103.06 ? 383 ASN A CG 1 ATOM 1198 O OD1 . ASN A 1 160 ? 47.396 21.472 36.318 1.00 104.37 ? 383 ASN A OD1 1 ATOM 1199 N ND2 . ASN A 1 160 ? 47.077 22.753 38.134 1.00 111.43 ? 383 ASN A ND2 1 ATOM 1200 N N . HIS A 1 161 ? 44.593 25.818 35.464 1.00 71.03 ? 384 HIS A N 1 ATOM 1201 C CA . HIS A 1 161 ? 43.807 26.632 34.547 1.00 63.99 ? 384 HIS A CA 1 ATOM 1202 C C . HIS A 1 161 ? 43.168 25.736 33.495 1.00 66.42 ? 384 HIS A C 1 ATOM 1203 O O . HIS A 1 161 ? 43.581 24.594 33.314 1.00 60.10 ? 384 HIS A O 1 ATOM 1204 C CB . HIS A 1 161 ? 44.675 27.687 33.865 1.00 59.94 ? 384 HIS A CB 1 ATOM 1205 C CG . HIS A 1 161 ? 44.954 28.885 34.717 1.00 63.38 ? 384 HIS A CG 1 ATOM 1206 N ND1 . HIS A 1 161 ? 46.195 29.143 35.256 1.00 76.94 ? 384 HIS A ND1 1 ATOM 1207 C CD2 . HIS A 1 161 ? 44.150 29.897 35.120 1.00 77.82 ? 384 HIS A CD2 1 ATOM 1208 C CE1 . HIS A 1 161 ? 46.145 30.262 35.958 1.00 82.72 ? 384 HIS A CE1 1 ATOM 1209 N NE2 . HIS A 1 161 ? 44.914 30.739 35.893 1.00 80.11 ? 384 HIS A NE2 1 ATOM 1210 N N . SER A 1 162 ? 42.167 26.260 32.799 1.00 67.41 ? 385 SER A N 1 ATOM 1211 C CA . SER A 1 162 ? 41.441 25.480 31.807 1.00 67.64 ? 385 SER A CA 1 ATOM 1212 C C . SER A 1 162 ? 41.333 26.227 30.486 1.00 67.74 ? 385 SER A C 1 ATOM 1213 O O . SER A 1 162 ? 41.576 27.432 30.418 1.00 64.18 ? 385 SER A O 1 ATOM 1214 C CB . SER A 1 162 ? 40.041 25.139 32.327 1.00 65.08 ? 385 SER A CB 1 ATOM 1215 O OG . SER A 1 162 ? 39.381 26.296 32.819 1.00 71.66 ? 385 SER A OG 1 ATOM 1216 N N . THR A 1 163 ? 40.973 25.507 29.433 1.00 69.74 ? 386 THR A N 1 ATOM 1217 C CA . THR A 1 163 ? 40.690 26.153 28.163 1.00 79.04 ? 386 THR A CA 1 ATOM 1218 C C . THR A 1 163 ? 39.276 26.703 28.223 1.00 82.05 ? 386 THR A C 1 ATOM 1219 O O . THR A 1 163 ? 38.469 26.275 29.050 1.00 81.21 ? 386 THR A O 1 ATOM 1220 C CB . THR A 1 163 ? 40.796 25.181 26.975 1.00 72.87 ? 386 THR A CB 1 ATOM 1221 O OG1 . THR A 1 163 ? 39.744 24.211 27.054 1.00 60.57 ? 386 THR A OG1 1 ATOM 1222 C CG2 . THR A 1 163 ? 42.147 24.480 26.969 1.00 72.12 ? 386 THR A CG2 1 ATOM 1223 N N . ARG A 1 164 ? 38.978 27.656 27.350 1.00 78.33 ? 387 ARG A N 1 ATOM 1224 C CA . ARG A 1 164 ? 37.638 28.208 27.268 1.00 76.37 ? 387 ARG A CA 1 ATOM 1225 C C . ARG A 1 164 ? 37.365 28.678 25.850 1.00 77.83 ? 387 ARG A C 1 ATOM 1226 O O . ARG A 1 164 ? 38.156 29.416 25.258 1.00 65.37 ? 387 ARG A O 1 ATOM 1227 C CB . ARG A 1 164 ? 37.456 29.354 28.265 1.00 77.10 ? 387 ARG A CB 1 ATOM 1228 C CG . ARG A 1 164 ? 36.045 29.456 28.820 1.00 81.91 ? 387 ARG A CG 1 ATOM 1229 C CD . ARG A 1 164 ? 35.906 30.615 29.791 1.00 87.74 ? 387 ARG A CD 1 ATOM 1230 N NE . ARG A 1 164 ? 36.049 31.896 29.110 1.00 92.21 ? 387 ARG A NE 1 ATOM 1231 C CZ . ARG A 1 164 ? 35.072 32.493 28.437 1.00 97.65 ? 387 ARG A CZ 1 ATOM 1232 N NH1 . ARG A 1 164 ? 33.877 31.923 28.356 1.00 91.67 ? 387 ARG A NH1 1 ATOM 1233 N NH2 . ARG A 1 164 ? 35.289 33.660 27.844 1.00 105.56 ? 387 ARG A NH2 1 ATOM 1234 N N . LYS A 1 165 ? 36.242 28.235 25.304 1.00 79.40 ? 388 LYS A N 1 ATOM 1235 C CA . LYS A 1 165 ? 35.885 28.572 23.939 1.00 89.88 ? 388 LYS A CA 1 ATOM 1236 C C . LYS A 1 165 ? 34.377 28.729 23.830 1.00 87.42 ? 388 LYS A C 1 ATOM 1237 O O . LYS A 1 165 ? 33.618 27.861 24.266 1.00 80.54 ? 388 LYS A O 1 ATOM 1238 C CB . LYS A 1 165 ? 36.376 27.483 22.982 1.00 95.59 ? 388 LYS A CB 1 ATOM 1239 C CG . LYS A 1 165 ? 36.267 27.839 21.511 1.00 104.84 ? 388 LYS A CG 1 ATOM 1240 C CD . LYS A 1 165 ? 36.510 26.621 20.628 1.00 109.34 ? 388 LYS A CD 1 ATOM 1241 C CE . LYS A 1 165 ? 37.868 25.990 20.900 1.00 111.37 ? 388 LYS A CE 1 ATOM 1242 N NZ . LYS A 1 165 ? 38.097 24.779 20.060 1.00 109.51 ? 388 LYS A NZ 1 ATOM 1243 N N . GLU A 1 166 ? 33.945 29.848 23.263 1.00 86.41 ? 389 GLU A N 1 ATOM 1244 C CA . GLU A 1 166 ? 32.527 30.071 23.026 1.00 90.63 ? 389 GLU A CA 1 ATOM 1245 C C . GLU A 1 166 ? 32.270 30.339 21.550 1.00 96.32 ? 389 GLU A C 1 ATOM 1246 O O . GLU A 1 166 ? 33.027 31.057 20.897 1.00 92.86 ? 389 GLU A O 1 ATOM 1247 C CB . GLU A 1 166 ? 31.995 31.212 23.896 1.00 96.52 ? 389 GLU A CB 1 ATOM 1248 C CG . GLU A 1 166 ? 32.864 32.455 23.917 1.00 104.28 ? 389 GLU A CG 1 ATOM 1249 C CD . GLU A 1 166 ? 32.406 33.458 24.959 1.00 111.21 ? 389 GLU A CD 1 ATOM 1250 O OE1 . GLU A 1 166 ? 31.695 33.048 25.901 1.00 104.99 ? 389 GLU A OE1 1 ATOM 1251 O OE2 . GLU A 1 166 ? 32.754 34.652 24.838 1.00 118.65 ? 389 GLU A OE2 1 ATOM 1252 N N . GLU A 1 167 ? 31.205 29.744 21.025 1.00 98.51 ? 390 GLU A N 1 ATOM 1253 C CA . GLU A 1 167 ? 30.887 29.870 19.611 1.00 103.96 ? 390 GLU A CA 1 ATOM 1254 C C . GLU A 1 167 ? 29.397 30.081 19.381 1.00 106.59 ? 390 GLU A C 1 ATOM 1255 O O . GLU A 1 167 ? 28.566 29.311 19.862 1.00 104.27 ? 390 GLU A O 1 ATOM 1256 C CB . GLU A 1 167 ? 31.363 28.635 18.843 1.00 103.98 ? 390 GLU A CB 1 ATOM 1257 C CG . GLU A 1 167 ? 32.872 28.479 18.784 1.00 111.03 ? 390 GLU A CG 1 ATOM 1258 C CD . GLU A 1 167 ? 33.301 27.348 17.870 1.00 119.04 ? 390 GLU A CD 1 ATOM 1259 O OE1 . GLU A 1 167 ? 34.452 27.376 17.383 1.00 124.12 ? 390 GLU A OE1 1 ATOM 1260 O OE2 . GLU A 1 167 ? 32.483 26.432 17.635 1.00 118.18 ? 390 GLU A OE2 1 ATOM 1261 N N . LYS A 1 168 ? 29.068 31.135 18.645 1.00 107.13 ? 391 LYS A N 1 ATOM 1262 C CA . LYS A 1 168 ? 27.697 31.388 18.233 1.00 112.35 ? 391 LYS A CA 1 ATOM 1263 C C . LYS A 1 168 ? 27.337 30.334 17.193 1.00 115.10 ? 391 LYS A C 1 ATOM 1264 O O . LYS A 1 168 ? 28.056 30.154 16.212 1.00 117.55 ? 391 LYS A O 1 ATOM 1265 C CB . LYS A 1 168 ? 27.587 32.794 17.641 1.00 113.53 ? 391 LYS A CB 1 ATOM 1266 C CG . LYS A 1 168 ? 26.291 33.529 17.951 1.00 119.06 ? 391 LYS A CG 1 ATOM 1267 C CD . LYS A 1 168 ? 26.543 35.034 18.016 1.00 129.98 ? 391 LYS A CD 1 ATOM 1268 C CE . LYS A 1 168 ? 25.267 35.827 18.261 1.00 136.23 ? 391 LYS A CE 1 ATOM 1269 N NZ . LYS A 1 168 ? 24.565 36.178 16.995 1.00 139.11 ? 391 LYS A NZ 1 ATOM 1270 N N . GLN A 1 169 ? 26.237 29.623 17.415 1.00 116.87 ? 392 GLN A N 1 ATOM 1271 C CA . GLN A 1 169 ? 25.858 28.523 16.534 1.00 119.42 ? 392 GLN A CA 1 ATOM 1272 C C . GLN A 1 169 ? 24.912 28.982 15.431 1.00 131.42 ? 392 GLN A C 1 ATOM 1273 O O . GLN A 1 169 ? 24.341 30.070 15.505 1.00 133.12 ? 392 GLN A O 1 ATOM 1274 C CB . GLN A 1 169 ? 25.228 27.386 17.340 1.00 111.38 ? 392 GLN A CB 1 ATOM 1275 C CG . GLN A 1 169 ? 26.111 26.874 18.467 1.00 104.06 ? 392 GLN A CG 1 ATOM 1276 C CD . GLN A 1 169 ? 27.400 26.251 17.963 1.00 97.45 ? 392 GLN A CD 1 ATOM 1277 O OE1 . GLN A 1 169 ? 27.382 25.370 17.103 1.00 93.94 ? 392 GLN A OE1 1 ATOM 1278 N NE2 . GLN A 1 169 ? 28.527 26.701 18.502 1.00 94.54 ? 392 GLN A NE2 1 ATOM 1279 N N . ARG A 1 170 ? 24.752 28.148 14.409 1.00 140.14 ? 393 ARG A N 1 ATOM 1280 C CA . ARG A 1 170 ? 23.908 28.493 13.271 1.00 151.44 ? 393 ARG A CA 1 ATOM 1281 C C . ARG A 1 170 ? 22.475 28.798 13.691 1.00 140.05 ? 393 ARG A C 1 ATOM 1282 O O . ARG A 1 170 ? 21.803 29.620 13.070 1.00 144.05 ? 393 ARG A O 1 ATOM 1283 C CB . ARG A 1 170 ? 23.933 27.386 12.213 1.00 168.85 ? 393 ARG A CB 1 ATOM 1284 C CG . ARG A 1 170 ? 22.897 27.565 11.114 1.00 186.60 ? 393 ARG A CG 1 ATOM 1285 C CD . ARG A 1 170 ? 23.318 26.881 9.824 1.00 198.68 ? 393 ARG A CD 1 ATOM 1286 N NE . ARG A 1 170 ? 24.388 27.606 9.145 1.00 210.91 ? 393 ARG A NE 1 ATOM 1287 C CZ . ARG A 1 170 ? 24.190 28.643 8.337 1.00 220.22 ? 393 ARG A CZ 1 ATOM 1288 N NH1 . ARG A 1 170 ? 22.960 29.082 8.109 1.00 223.43 ? 393 ARG A NH1 1 ATOM 1289 N NH2 . ARG A 1 170 ? 25.221 29.244 7.759 1.00 223.31 ? 393 ARG A NH2 1 ATOM 1290 N N . ASN A 1 171 ? 22.008 28.140 14.747 1.00 121.79 ? 394 ASN A N 1 ATOM 1291 C CA . ASN A 1 171 ? 20.659 28.389 15.246 1.00 105.19 ? 394 ASN A CA 1 ATOM 1292 C C . ASN A 1 171 ? 20.583 29.599 16.175 1.00 92.74 ? 394 ASN A C 1 ATOM 1293 O O . ASN A 1 171 ? 19.558 29.844 16.812 1.00 89.65 ? 394 ASN A O 1 ATOM 1294 C CB . ASN A 1 171 ? 20.066 27.139 15.910 1.00 100.83 ? 394 ASN A CB 1 ATOM 1295 C CG . ASN A 1 171 ? 20.936 26.593 17.030 1.00 90.10 ? 394 ASN A CG 1 ATOM 1296 O OD1 . ASN A 1 171 ? 21.804 27.289 17.556 1.00 88.29 ? 394 ASN A OD1 1 ATOM 1297 N ND2 . ASN A 1 171 ? 20.700 25.334 17.400 1.00 75.85 ? 394 ASN A ND2 1 ATOM 1298 N N . GLY A 1 172 ? 21.676 30.351 16.246 1.00 86.03 ? 395 GLY A N 1 ATOM 1299 C CA . GLY A 1 172 ? 21.693 31.597 16.990 1.00 95.11 ? 395 GLY A CA 1 ATOM 1300 C C . GLY A 1 172 ? 21.922 31.453 18.481 1.00 105.85 ? 395 GLY A C 1 ATOM 1301 O O . GLY A 1 172 ? 21.934 32.448 19.207 1.00 111.33 ? 395 GLY A O 1 ATOM 1302 N N . THR A 1 173 ? 22.098 30.220 18.946 1.00 102.85 ? 396 THR A N 1 ATOM 1303 C CA . THR A 1 173 ? 22.391 29.977 20.355 1.00 94.92 ? 396 THR A CA 1 ATOM 1304 C C . THR A 1 173 ? 23.891 30.059 20.606 1.00 93.32 ? 396 THR A C 1 ATOM 1305 O O . THR A 1 173 ? 24.682 30.162 19.670 1.00 97.17 ? 396 THR A O 1 ATOM 1306 C CB . THR A 1 173 ? 21.881 28.600 20.828 1.00 84.64 ? 396 THR A CB 1 ATOM 1307 O OG1 . THR A 1 173 ? 22.614 27.560 20.170 1.00 79.41 ? 396 THR A OG1 1 ATOM 1308 C CG2 . THR A 1 173 ? 20.400 28.445 20.527 1.00 88.06 ? 396 THR A CG2 1 ATOM 1309 N N . LEU A 1 174 ? 24.276 30.014 21.875 1.00 89.42 ? 397 LEU A N 1 ATOM 1310 C CA . LEU A 1 174 ? 25.683 30.076 22.243 1.00 81.52 ? 397 LEU A CA 1 ATOM 1311 C C . LEU A 1 174 ? 26.083 28.856 23.066 1.00 82.48 ? 397 LEU A C 1 ATOM 1312 O O . LEU A 1 174 ? 25.356 28.439 23.971 1.00 76.51 ? 397 LEU A O 1 ATOM 1313 C CB . LEU A 1 174 ? 25.974 31.362 23.020 1.00 84.99 ? 397 LEU A CB 1 ATOM 1314 C CG . LEU A 1 174 ? 27.394 31.558 23.556 1.00 91.12 ? 397 LEU A CG 1 ATOM 1315 C CD1 . LEU A 1 174 ? 28.427 31.418 22.446 1.00 89.83 ? 397 LEU A CD1 1 ATOM 1316 C CD2 . LEU A 1 174 ? 27.521 32.907 24.251 1.00 100.80 ? 397 LEU A CD2 1 ATOM 1317 N N . THR A 1 175 ? 27.237 28.282 22.741 1.00 75.38 ? 398 THR A N 1 ATOM 1318 C CA . THR A 1 175 ? 27.777 27.172 23.514 1.00 79.30 ? 398 THR A CA 1 ATOM 1319 C C . THR A 1 175 ? 29.136 27.541 24.095 1.00 77.43 ? 398 THR A C 1 ATOM 1320 O O . THR A 1 175 ? 29.976 28.123 23.411 1.00 82.71 ? 398 THR A O 1 ATOM 1321 C CB . THR A 1 175 ? 27.920 25.895 22.664 1.00 82.77 ? 398 THR A CB 1 ATOM 1322 O OG1 . THR A 1 175 ? 29.007 26.048 21.744 1.00 91.59 ? 398 THR A OG1 1 ATOM 1323 C CG2 . THR A 1 175 ? 26.638 25.616 21.895 1.00 80.42 ? 398 THR A CG2 1 ATOM 1324 N N . VAL A 1 176 ? 29.342 27.209 25.365 1.00 72.84 ? 399 VAL A N 1 ATOM 1325 C CA . VAL A 1 176 ? 30.620 27.450 26.020 1.00 73.62 ? 399 VAL A CA 1 ATOM 1326 C C . VAL A 1 176 ? 31.279 26.131 26.399 1.00 67.84 ? 399 VAL A C 1 ATOM 1327 O O . VAL A 1 176 ? 30.661 25.277 27.037 1.00 64.77 ? 399 VAL A O 1 ATOM 1328 C CB . VAL A 1 176 ? 30.465 28.320 27.282 1.00 81.82 ? 399 VAL A CB 1 ATOM 1329 C CG1 . VAL A 1 176 ? 31.777 28.381 28.047 1.00 87.47 ? 399 VAL A CG1 1 ATOM 1330 C CG2 . VAL A 1 176 ? 29.997 29.719 26.910 1.00 84.68 ? 399 VAL A CG2 1 ATOM 1331 N N . THR A 1 177 ? 32.534 25.974 25.995 1.00 58.83 ? 400 THR A N 1 ATOM 1332 C CA . THR A 1 177 ? 33.295 24.766 26.274 1.00 60.74 ? 400 THR A CA 1 ATOM 1333 C C . THR A 1 177 ? 34.519 25.089 27.110 1.00 56.05 ? 400 THR A C 1 ATOM 1334 O O . THR A 1 177 ? 35.231 26.049 26.831 1.00 56.30 ? 400 THR A O 1 ATOM 1335 C CB . THR A 1 177 ? 33.784 24.099 24.974 1.00 64.57 ? 400 THR A CB 1 ATOM 1336 O OG1 . THR A 1 177 ? 32.660 23.669 24.199 1.00 64.47 ? 400 THR A OG1 1 ATOM 1337 C CG2 . THR A 1 177 ? 34.671 22.901 25.290 1.00 62.91 ? 400 THR A CG2 1 ATOM 1338 N N . SER A 1 178 ? 34.766 24.283 28.136 1.00 47.22 ? 401 SER A N 1 ATOM 1339 C CA . SER A 1 178 ? 36.001 24.394 28.897 1.00 44.32 ? 401 SER A CA 1 ATOM 1340 C C . SER A 1 178 ? 36.590 23.011 29.145 1.00 49.37 ? 401 SER A C 1 ATOM 1341 O O . SER A 1 178 ? 35.863 22.063 29.440 1.00 46.25 ? 401 SER A O 1 ATOM 1342 C CB . SER A 1 178 ? 35.756 25.118 30.221 1.00 50.46 ? 401 SER A CB 1 ATOM 1343 O OG . SER A 1 178 ? 36.939 25.159 30.996 1.00 50.46 ? 401 SER A OG 1 ATOM 1344 N N . THR A 1 179 ? 37.908 22.900 29.017 1.00 49.28 ? 402 THR A N 1 ATOM 1345 C CA . THR A 1 179 ? 38.599 21.635 29.254 1.00 47.05 ? 402 THR A CA 1 ATOM 1346 C C . THR A 1 179 ? 39.642 21.761 30.364 1.00 48.90 ? 402 THR A C 1 ATOM 1347 O O . THR A 1 179 ? 40.490 22.651 30.333 1.00 44.29 ? 402 THR A O 1 ATOM 1348 C CB . THR A 1 179 ? 39.273 21.119 27.972 1.00 45.07 ? 402 THR A CB 1 ATOM 1349 O OG1 . THR A 1 179 ? 38.271 20.844 26.986 1.00 42.57 ? 402 THR A OG1 1 ATOM 1350 C CG2 . THR A 1 179 ? 40.062 19.847 28.257 1.00 46.88 ? 402 THR A CG2 1 ATOM 1351 N N . LEU A 1 180 ? 39.573 20.865 31.343 1.00 49.22 ? 403 LEU A N 1 ATOM 1352 C CA . LEU A 1 180 ? 40.457 20.920 32.505 1.00 40.84 ? 403 LEU A CA 1 ATOM 1353 C C . LEU A 1 180 ? 41.383 19.714 32.589 1.00 45.16 ? 403 LEU A C 1 ATOM 1354 O O . LEU A 1 180 ? 40.915 18.573 32.600 1.00 38.90 ? 403 LEU A O 1 ATOM 1355 C CB . LEU A 1 180 ? 39.632 20.985 33.792 1.00 39.45 ? 403 LEU A CB 1 ATOM 1356 C CG . LEU A 1 180 ? 40.428 20.999 35.099 1.00 36.85 ? 403 LEU A CG 1 ATOM 1357 C CD1 . LEU A 1 180 ? 40.933 22.407 35.383 1.00 43.10 ? 403 LEU A CD1 1 ATOM 1358 C CD2 . LEU A 1 180 ? 39.590 20.496 36.274 1.00 36.76 ? 403 LEU A CD2 1 ATOM 1359 N N . PRO A 1 181 ? 42.699 19.963 32.666 1.00 45.34 ? 404 PRO A N 1 ATOM 1360 C CA . PRO A 1 181 ? 43.681 18.901 32.919 1.00 51.64 ? 404 PRO A CA 1 ATOM 1361 C C . PRO A 1 181 ? 43.543 18.378 34.344 1.00 51.62 ? 404 PRO A C 1 ATOM 1362 O O . PRO A 1 181 ? 43.428 19.183 35.264 1.00 47.23 ? 404 PRO A O 1 ATOM 1363 C CB . PRO A 1 181 ? 45.028 19.621 32.767 1.00 55.32 ? 404 PRO A CB 1 ATOM 1364 C CG . PRO A 1 181 ? 44.722 20.894 32.036 1.00 55.84 ? 404 PRO A CG 1 ATOM 1365 C CD . PRO A 1 181 ? 43.340 21.271 32.444 1.00 50.31 ? 404 PRO A CD 1 ATOM 1366 N N . VAL A 1 182 ? 43.543 17.061 34.531 1.00 45.76 ? 405 VAL A N 1 ATOM 1367 C CA . VAL A 1 182 ? 43.455 16.508 35.880 1.00 42.69 ? 405 VAL A CA 1 ATOM 1368 C C . VAL A 1 182 ? 44.632 15.596 36.204 1.00 45.26 ? 405 VAL A C 1 ATOM 1369 O O . VAL A 1 182 ? 45.342 15.132 35.309 1.00 47.18 ? 405 VAL A O 1 ATOM 1370 C CB . VAL A 1 182 ? 42.150 15.722 36.101 1.00 43.23 ? 405 VAL A CB 1 ATOM 1371 C CG1 . VAL A 1 182 ? 40.943 16.603 35.818 1.00 42.27 ? 405 VAL A CG1 1 ATOM 1372 C CG2 . VAL A 1 182 ? 42.141 14.471 35.232 1.00 36.68 ? 405 VAL A CG2 1 ATOM 1373 N N . GLY A 1 183 ? 44.831 15.345 37.494 1.00 44.62 ? 406 GLY A N 1 ATOM 1374 C CA . GLY A 1 183 ? 45.876 14.446 37.937 1.00 46.40 ? 406 GLY A CA 1 ATOM 1375 C C . GLY A 1 183 ? 45.530 13.020 37.562 1.00 52.72 ? 406 GLY A C 1 ATOM 1376 O O . GLY A 1 183 ? 44.426 12.551 37.832 1.00 51.01 ? 406 GLY A O 1 ATOM 1377 N N . THR A 1 184 ? 46.468 12.332 36.924 1.00 51.88 ? 407 THR A N 1 ATOM 1378 C CA . THR A 1 184 ? 46.262 10.938 36.549 1.00 54.16 ? 407 THR A CA 1 ATOM 1379 C C . THR A 1 184 ? 45.966 10.109 37.792 1.00 55.69 ? 407 THR A C 1 ATOM 1380 O O . THR A 1 184 ? 45.015 9.329 37.825 1.00 53.24 ? 407 THR A O 1 ATOM 1381 C CB . THR A 1 184 ? 47.495 10.363 35.830 1.00 59.60 ? 407 THR A CB 1 ATOM 1382 O OG1 . THR A 1 184 ? 47.731 11.099 34.624 1.00 66.11 ? 407 THR A OG1 1 ATOM 1383 C CG2 . THR A 1 184 ? 47.282 8.897 35.491 1.00 60.41 ? 407 THR A CG2 1 ATOM 1384 N N . ARG A 1 185 ? 46.784 10.296 38.819 1.00 55.68 ? 408 ARG A N 1 ATOM 1385 C CA . ARG A 1 185 ? 46.613 9.589 40.077 1.00 56.46 ? 408 ARG A CA 1 ATOM 1386 C C . ARG A 1 185 ? 45.372 10.096 40.807 1.00 55.23 ? 408 ARG A C 1 ATOM 1387 O O . ARG A 1 185 ? 44.587 9.307 41.331 1.00 58.35 ? 408 ARG A O 1 ATOM 1388 C CB . ARG A 1 185 ? 47.862 9.758 40.944 1.00 63.78 ? 408 ARG A CB 1 ATOM 1389 C CG . ARG A 1 185 ? 47.737 9.213 42.354 1.00 77.10 ? 408 ARG A CG 1 ATOM 1390 C CD . ARG A 1 185 ? 49.065 9.318 43.085 1.00 91.48 ? 408 ARG A CD 1 ATOM 1391 N NE . ARG A 1 185 ? 48.921 9.150 44.528 1.00 101.90 ? 408 ARG A NE 1 ATOM 1392 C CZ . ARG A 1 185 ? 48.783 10.156 45.384 1.00 111.92 ? 408 ARG A CZ 1 ATOM 1393 N NH1 . ARG A 1 185 ? 48.769 11.407 44.941 1.00 114.04 ? 408 ARG A NH1 1 ATOM 1394 N NH2 . ARG A 1 185 ? 48.660 9.915 46.683 1.00 114.69 ? 408 ARG A NH2 1 ATOM 1395 N N . ASP A 1 186 ? 45.199 11.415 40.829 1.00 49.52 ? 409 ASP A N 1 ATOM 1396 C CA . ASP A 1 186 ? 44.050 12.037 41.480 1.00 51.96 ? 409 ASP A CA 1 ATOM 1397 C C . ASP A 1 186 ? 42.749 11.442 40.970 1.00 48.11 ? 409 ASP A C 1 ATOM 1398 O O . ASP A 1 186 ? 41.829 11.172 41.743 1.00 48.06 ? 409 ASP A O 1 ATOM 1399 C CB . ASP A 1 186 ? 44.033 13.541 41.214 1.00 54.12 ? 409 ASP A CB 1 ATOM 1400 C CG . ASP A 1 186 ? 45.180 14.263 41.878 1.00 57.13 ? 409 ASP A CG 1 ATOM 1401 O OD1 . ASP A 1 186 ? 45.500 15.385 41.438 1.00 50.99 ? 409 ASP A OD1 1 ATOM 1402 O OD2 . ASP A 1 186 ? 45.757 13.709 42.836 1.00 61.88 ? 409 ASP A OD2 1 ATOM 1403 N N . TRP A 1 187 ? 42.674 11.254 39.658 1.00 44.61 ? 410 TRP A N 1 ATOM 1404 C CA . TRP A 1 187 ? 41.455 10.756 39.041 1.00 42.12 ? 410 TRP A CA 1 ATOM 1405 C C . TRP A 1 187 ? 41.217 9.285 39.354 1.00 42.35 ? 410 TRP A C 1 ATOM 1406 O O . TRP A 1 187 ? 40.119 8.894 39.747 1.00 44.18 ? 410 TRP A O 1 ATOM 1407 C CB . TRP A 1 187 ? 41.476 10.956 37.526 1.00 39.24 ? 410 TRP A CB 1 ATOM 1408 C CG . TRP A 1 187 ? 40.292 10.302 36.892 1.00 33.25 ? 410 TRP A CG 1 ATOM 1409 C CD1 . TRP A 1 187 ? 40.226 9.038 36.390 1.00 30.06 ? 410 TRP A CD1 1 ATOM 1410 C CD2 . TRP A 1 187 ? 38.985 10.862 36.742 1.00 37.98 ? 410 TRP A CD2 1 ATOM 1411 N NE1 . TRP A 1 187 ? 38.964 8.778 35.930 1.00 35.08 ? 410 TRP A NE1 1 ATOM 1412 C CE2 . TRP A 1 187 ? 38.181 9.885 36.129 1.00 36.28 ? 410 TRP A CE2 1 ATOM 1413 C CE3 . TRP A 1 187 ? 38.418 12.100 37.063 1.00 38.57 ? 410 TRP A CE3 1 ATOM 1414 C CZ2 . TRP A 1 187 ? 36.842 10.105 35.825 1.00 40.48 ? 410 TRP A CZ2 1 ATOM 1415 C CZ3 . TRP A 1 187 ? 37.091 12.317 36.761 1.00 35.35 ? 410 TRP A CZ3 1 ATOM 1416 C CH2 . TRP A 1 187 ? 36.317 11.327 36.146 1.00 37.14 ? 410 TRP A CH2 1 ATOM 1417 N N . ILE A 1 188 ? 42.249 8.470 39.165 1.00 41.26 ? 411 ILE A N 1 ATOM 1418 C CA . ILE A 1 188 ? 42.140 7.034 39.395 1.00 44.06 ? 411 ILE A CA 1 ATOM 1419 C C . ILE A 1 188 ? 41.766 6.713 40.844 1.00 47.88 ? 411 ILE A C 1 ATOM 1420 O O . ILE A 1 188 ? 41.139 5.690 41.121 1.00 45.21 ? 411 ILE A O 1 ATOM 1421 C CB . ILE A 1 188 ? 43.446 6.304 39.008 1.00 49.43 ? 411 ILE A CB 1 ATOM 1422 C CG1 . ILE A 1 188 ? 43.671 6.396 37.497 1.00 50.02 ? 411 ILE A CG1 1 ATOM 1423 C CG2 . ILE A 1 188 ? 43.406 4.849 39.453 1.00 52.67 ? 411 ILE A CG2 1 ATOM 1424 C CD1 . ILE A 1 188 ? 44.978 5.791 37.027 1.00 54.43 ? 411 ILE A CD1 1 ATOM 1425 N N . GLU A 1 189 ? 42.134 7.596 41.766 1.00 42.93 ? 412 GLU A N 1 ATOM 1426 C CA . GLU A 1 189 ? 41.873 7.351 43.181 1.00 53.36 ? 412 GLU A CA 1 ATOM 1427 C C . GLU A 1 189 ? 40.496 7.833 43.637 1.00 52.48 ? 412 GLU A C 1 ATOM 1428 O O . GLU A 1 189 ? 40.080 7.562 44.762 1.00 53.97 ? 412 GLU A O 1 ATOM 1429 C CB . GLU A 1 189 ? 42.991 7.936 44.049 1.00 60.00 ? 412 GLU A CB 1 ATOM 1430 C CG . GLU A 1 189 ? 44.316 7.214 43.859 1.00 70.64 ? 412 GLU A CG 1 ATOM 1431 C CD . GLU A 1 189 ? 45.376 7.641 44.852 1.00 77.91 ? 412 GLU A CD 1 ATOM 1432 O OE1 . GLU A 1 189 ? 45.139 8.617 45.594 1.00 77.83 ? 412 GLU A OE1 1 ATOM 1433 O OE2 . GLU A 1 189 ? 46.448 6.997 44.884 1.00 77.82 ? 412 GLU A OE2 1 ATOM 1434 N N . GLY A 1 190 ? 39.790 8.542 42.764 1.00 48.87 ? 413 GLY A N 1 ATOM 1435 C CA . GLY A 1 190 ? 38.388 8.829 43.007 1.00 41.07 ? 413 GLY A CA 1 ATOM 1436 C C . GLY A 1 190 ? 38.037 10.266 43.322 1.00 43.23 ? 413 GLY A C 1 ATOM 1437 O O . GLY A 1 190 ? 36.992 10.527 43.916 1.00 44.72 ? 413 GLY A O 1 ATOM 1438 N N . GLU A 1 191 ? 38.891 11.204 42.926 1.00 40.42 ? 414 GLU A N 1 ATOM 1439 C CA . GLU A 1 191 ? 38.559 12.614 43.111 1.00 38.26 ? 414 GLU A CA 1 ATOM 1440 C C . GLU A 1 191 ? 37.270 12.947 42.360 1.00 41.85 ? 414 GLU A C 1 ATOM 1441 O O . GLU A 1 191 ? 36.931 12.306 41.361 1.00 39.77 ? 414 GLU A O 1 ATOM 1442 C CB . GLU A 1 191 ? 39.700 13.523 42.656 1.00 45.19 ? 414 GLU A CB 1 ATOM 1443 C CG . GLU A 1 191 ? 39.380 15.007 42.750 1.00 49.64 ? 414 GLU A CG 1 ATOM 1444 C CD . GLU A 1 191 ? 39.264 15.498 44.182 1.00 53.61 ? 414 GLU A CD 1 ATOM 1445 O OE1 . GLU A 1 191 ? 38.128 15.567 44.703 1.00 45.90 ? 414 GLU A OE1 1 ATOM 1446 O OE2 . GLU A 1 191 ? 40.312 15.811 44.786 1.00 54.80 ? 414 GLU A OE2 1 ATOM 1447 N N . THR A 1 192 ? 36.541 13.931 42.864 1.00 39.95 ? 415 THR A N 1 ATOM 1448 C CA . THR A 1 192 ? 35.332 14.397 42.214 1.00 37.04 ? 415 THR A CA 1 ATOM 1449 C C . THR A 1 192 ? 35.594 15.787 41.667 1.00 40.21 ? 415 THR A C 1 ATOM 1450 O O . THR A 1 192 ? 36.037 16.673 42.397 1.00 40.63 ? 415 THR A O 1 ATOM 1451 C CB . THR A 1 192 ? 34.164 14.460 43.201 1.00 40.61 ? 415 THR A CB 1 ATOM 1452 O OG1 . THR A 1 192 ? 33.757 13.127 43.540 1.00 38.12 ? 415 THR A OG1 1 ATOM 1453 C CG2 . THR A 1 192 ? 32.990 15.214 42.593 1.00 34.38 ? 415 THR A CG2 1 ATOM 1454 N N . TYR A 1 193 ? 35.334 15.974 40.379 1.00 37.16 ? 416 TYR A N 1 ATOM 1455 C CA . TYR A 1 193 ? 35.583 17.261 39.741 1.00 39.63 ? 416 TYR A CA 1 ATOM 1456 C C . TYR A 1 193 ? 34.272 17.951 39.429 1.00 33.18 ? 416 TYR A C 1 ATOM 1457 O O . TYR A 1 193 ? 33.313 17.310 39.003 1.00 35.25 ? 416 TYR A O 1 ATOM 1458 C CB . TYR A 1 193 ? 36.435 17.090 38.482 1.00 38.32 ? 416 TYR A CB 1 ATOM 1459 C CG . TYR A 1 193 ? 37.832 16.615 38.795 1.00 36.88 ? 416 TYR A CG 1 ATOM 1460 C CD1 . TYR A 1 193 ? 38.109 15.262 38.920 1.00 42.32 ? 416 TYR A CD1 1 ATOM 1461 C CD2 . TYR A 1 193 ? 38.869 17.522 39.000 1.00 38.86 ? 416 TYR A CD2 1 ATOM 1462 C CE1 . TYR A 1 193 ? 39.381 14.819 39.222 1.00 44.46 ? 416 TYR A CE1 1 ATOM 1463 C CE2 . TYR A 1 193 ? 40.152 17.088 39.305 1.00 38.68 ? 416 TYR A CE2 1 ATOM 1464 C CZ . TYR A 1 193 ? 40.399 15.733 39.414 1.00 44.22 ? 416 TYR A CZ 1 ATOM 1465 O OH . TYR A 1 193 ? 41.662 15.276 39.715 1.00 45.35 ? 416 TYR A OH 1 ATOM 1466 N N . GLN A 1 194 ? 34.242 19.260 39.654 1.00 33.91 ? 417 GLN A N 1 ATOM 1467 C CA . GLN A 1 194 ? 33.020 20.037 39.552 1.00 38.42 ? 417 GLN A CA 1 ATOM 1468 C C . GLN A 1 194 ? 33.158 21.191 38.574 1.00 43.14 ? 417 GLN A C 1 ATOM 1469 O O . GLN A 1 194 ? 34.120 21.954 38.618 1.00 43.68 ? 417 GLN A O 1 ATOM 1470 C CB . GLN A 1 194 ? 32.617 20.559 40.934 1.00 39.44 ? 417 GLN A CB 1 ATOM 1471 C CG . GLN A 1 194 ? 32.513 19.451 41.960 1.00 34.73 ? 417 GLN A CG 1 ATOM 1472 C CD . GLN A 1 194 ? 32.479 19.962 43.390 1.00 47.44 ? 417 GLN A CD 1 ATOM 1473 O OE1 . GLN A 1 194 ? 33.024 21.024 43.701 1.00 52.08 ? 417 GLN A OE1 1 ATOM 1474 N NE2 . GLN A 1 194 ? 31.844 19.197 44.271 1.00 40.35 ? 417 GLN A NE2 1 ATOM 1475 N N . CYS A 1 195 ? 32.180 21.301 37.688 1.00 40.95 ? 418 CYS A N 1 ATOM 1476 C CA . CYS A 1 195 ? 32.125 22.380 36.724 1.00 38.62 ? 418 CYS A CA 1 ATOM 1477 C C . CYS A 1 195 ? 30.987 23.302 37.134 1.00 42.68 ? 418 CYS A C 1 ATOM 1478 O O . CYS A 1 195 ? 29.839 22.874 37.215 1.00 47.64 ? 418 CYS A O 1 ATOM 1479 C CB . CYS A 1 195 ? 31.872 21.807 35.326 1.00 38.60 ? 418 CYS A CB 1 ATOM 1480 S SG . CYS A 1 195 ? 31.597 23.051 34.076 1.00 72.36 ? 418 CYS A SG 1 ATOM 1481 N N . ARG A 1 196 ? 31.303 24.565 37.402 1.00 39.19 ? 419 ARG A N 1 ATOM 1482 C CA . ARG A 1 196 ? 30.293 25.511 37.858 1.00 41.04 ? 419 ARG A CA 1 ATOM 1483 C C . ARG A 1 196 ? 30.072 26.622 36.837 1.00 41.55 ? 419 ARG A C 1 ATOM 1484 O O . ARG A 1 196 ? 30.997 27.359 36.492 1.00 50.27 ? 419 ARG A O 1 ATOM 1485 C CB . ARG A 1 196 ? 30.694 26.090 39.216 1.00 48.62 ? 419 ARG A CB 1 ATOM 1486 C CG . ARG A 1 196 ? 29.686 27.048 39.815 1.00 54.09 ? 419 ARG A CG 1 ATOM 1487 C CD . ARG A 1 196 ? 30.199 27.599 41.133 1.00 61.02 ? 419 ARG A CD 1 ATOM 1488 N NE . ARG A 1 196 ? 29.181 28.385 41.818 1.00 71.21 ? 419 ARG A NE 1 ATOM 1489 C CZ . ARG A 1 196 ? 28.362 27.893 42.739 1.00 68.17 ? 419 ARG A CZ 1 ATOM 1490 N NH1 . ARG A 1 196 ? 28.451 26.616 43.087 1.00 62.91 ? 419 ARG A NH1 1 ATOM 1491 N NH2 . ARG A 1 196 ? 27.461 28.678 43.311 1.00 72.06 ? 419 ARG A NH2 1 ATOM 1492 N N . VAL A 1 197 ? 28.838 26.730 36.354 1.00 42.40 ? 420 VAL A N 1 ATOM 1493 C CA . VAL A 1 197 ? 28.492 27.691 35.315 1.00 47.16 ? 420 VAL A CA 1 ATOM 1494 C C . VAL A 1 197 ? 27.552 28.789 35.818 1.00 56.31 ? 420 VAL A C 1 ATOM 1495 O O . VAL A 1 197 ? 26.483 28.513 36.369 1.00 44.06 ? 420 VAL A O 1 ATOM 1496 C CB . VAL A 1 197 ? 27.833 26.992 34.113 1.00 53.74 ? 420 VAL A CB 1 ATOM 1497 C CG1 . VAL A 1 197 ? 27.563 27.992 32.996 1.00 50.86 ? 420 VAL A CG1 1 ATOM 1498 C CG2 . VAL A 1 197 ? 28.720 25.860 33.616 1.00 61.52 ? 420 VAL A CG2 1 ATOM 1499 N N . THR A 1 198 ? 27.953 30.038 35.623 1.00 62.65 ? 421 THR A N 1 ATOM 1500 C CA . THR A 1 198 ? 27.082 31.158 35.952 1.00 71.52 ? 421 THR A CA 1 ATOM 1501 C C . THR A 1 198 ? 26.873 32.058 34.741 1.00 72.99 ? 421 THR A C 1 ATOM 1502 O O . THR A 1 198 ? 27.829 32.530 34.125 1.00 71.92 ? 421 THR A O 1 ATOM 1503 C CB . THR A 1 198 ? 27.615 31.982 37.138 1.00 80.98 ? 421 THR A CB 1 ATOM 1504 O OG1 . THR A 1 198 ? 29.035 32.124 37.026 1.00 87.99 ? 421 THR A OG1 1 ATOM 1505 C CG2 . THR A 1 198 ? 27.288 31.296 38.454 1.00 81.28 ? 421 THR A CG2 1 ATOM 1506 N N . HIS A 1 199 ? 25.611 32.270 34.392 1.00 79.62 ? 422 HIS A N 1 ATOM 1507 C CA . HIS A 1 199 ? 25.257 33.172 33.310 1.00 90.70 ? 422 HIS A CA 1 ATOM 1508 C C . HIS A 1 199 ? 24.349 34.256 33.872 1.00 100.56 ? 422 HIS A C 1 ATOM 1509 O O . HIS A 1 199 ? 23.424 33.957 34.629 1.00 100.38 ? 422 HIS A O 1 ATOM 1510 C CB . HIS A 1 199 ? 24.544 32.411 32.192 1.00 92.70 ? 422 HIS A CB 1 ATOM 1511 C CG . HIS A 1 199 ? 24.367 33.206 30.937 1.00 98.76 ? 422 HIS A CG 1 ATOM 1512 N ND1 . HIS A 1 199 ? 23.314 34.075 30.747 1.00 100.91 ? 422 HIS A ND1 1 ATOM 1513 C CD2 . HIS A 1 199 ? 25.107 33.261 29.804 1.00 99.48 ? 422 HIS A CD2 1 ATOM 1514 C CE1 . HIS A 1 199 ? 23.414 34.632 29.554 1.00 103.08 ? 422 HIS A CE1 1 ATOM 1515 N NE2 . HIS A 1 199 ? 24.494 34.156 28.961 1.00 101.84 ? 422 HIS A NE2 1 ATOM 1516 N N . PRO A 1 200 ? 24.619 35.522 33.517 1.00 106.01 ? 423 PRO A N 1 ATOM 1517 C CA . PRO A 1 200 ? 23.820 36.655 33.996 1.00 109.72 ? 423 PRO A CA 1 ATOM 1518 C C . PRO A 1 200 ? 22.329 36.439 33.745 1.00 113.75 ? 423 PRO A C 1 ATOM 1519 O O . PRO A 1 200 ? 21.496 36.934 34.505 1.00 113.42 ? 423 PRO A O 1 ATOM 1520 C CB . PRO A 1 200 ? 24.343 37.827 33.150 1.00 111.02 ? 423 PRO A CB 1 ATOM 1521 C CG . PRO A 1 200 ? 25.079 37.172 31.997 1.00 109.39 ? 423 PRO A CG 1 ATOM 1522 C CD . PRO A 1 200 ? 25.697 35.974 32.627 1.00 107.78 ? 423 PRO A CD 1 ATOM 1523 N N . HIS A 1 201 ? 22.007 35.695 32.690 1.00 118.16 ? 424 HIS A N 1 ATOM 1524 C CA . HIS A 1 201 ? 20.623 35.405 32.332 1.00 123.84 ? 424 HIS A CA 1 ATOM 1525 C C . HIS A 1 201 ? 20.075 34.212 33.117 1.00 115.26 ? 424 HIS A C 1 ATOM 1526 O O . HIS A 1 201 ? 18.862 34.052 33.259 1.00 112.35 ? 424 HIS A O 1 ATOM 1527 C CB . HIS A 1 201 ? 20.514 35.156 30.825 1.00 138.33 ? 424 HIS A CB 1 ATOM 1528 C CG . HIS A 1 201 ? 19.174 34.654 30.386 1.00 153.22 ? 424 HIS A CG 1 ATOM 1529 N ND1 . HIS A 1 201 ? 18.151 35.495 30.006 1.00 160.16 ? 424 HIS A ND1 1 ATOM 1530 C CD2 . HIS A 1 201 ? 18.693 33.394 30.260 1.00 157.80 ? 424 HIS A CD2 1 ATOM 1531 C CE1 . HIS A 1 201 ? 17.095 34.776 29.669 1.00 161.54 ? 424 HIS A CE1 1 ATOM 1532 N NE2 . HIS A 1 201 ? 17.398 33.498 29.815 1.00 160.47 ? 424 HIS A NE2 1 ATOM 1533 N N . LEU A 1 202 ? 20.975 33.376 33.626 1.00 109.23 ? 425 LEU A N 1 ATOM 1534 C CA . LEU A 1 202 ? 20.584 32.247 34.462 1.00 101.18 ? 425 LEU A CA 1 ATOM 1535 C C . LEU A 1 202 ? 20.263 32.700 35.879 1.00 104.55 ? 425 LEU A C 1 ATOM 1536 O O . LEU A 1 202 ? 20.952 33.554 36.435 1.00 108.14 ? 425 LEU A O 1 ATOM 1537 C CB . LEU A 1 202 ? 21.685 31.187 34.500 1.00 93.01 ? 425 LEU A CB 1 ATOM 1538 C CG . LEU A 1 202 ? 21.635 30.123 33.407 1.00 85.27 ? 425 LEU A CG 1 ATOM 1539 C CD1 . LEU A 1 202 ? 22.700 29.065 33.648 1.00 80.03 ? 425 LEU A CD1 1 ATOM 1540 C CD2 . LEU A 1 202 ? 20.255 29.496 33.362 1.00 84.21 ? 425 LEU A CD2 1 ATOM 1541 N N . PRO A 1 203 ? 19.211 32.118 36.470 1.00 101.27 ? 426 PRO A N 1 ATOM 1542 C CA . PRO A 1 203 ? 18.789 32.461 37.830 1.00 94.58 ? 426 PRO A CA 1 ATOM 1543 C C . PRO A 1 203 ? 19.899 32.203 38.841 1.00 82.27 ? 426 PRO A C 1 ATOM 1544 O O . PRO A 1 203 ? 20.138 33.030 39.723 1.00 80.44 ? 426 PRO A O 1 ATOM 1545 C CB . PRO A 1 203 ? 17.623 31.500 38.087 1.00 100.44 ? 426 PRO A CB 1 ATOM 1546 C CG . PRO A 1 203 ? 17.142 31.102 36.734 1.00 102.70 ? 426 PRO A CG 1 ATOM 1547 C CD . PRO A 1 203 ? 18.358 31.080 35.867 1.00 102.08 ? 426 PRO A CD 1 ATOM 1548 N N . ARG A 1 204 ? 20.573 31.065 38.702 1.00 69.72 ? 427 ARG A N 1 ATOM 1549 C CA . ARG A 1 204 ? 21.565 30.632 39.677 1.00 58.79 ? 427 ARG A CA 1 ATOM 1550 C C . ARG A 1 204 ? 22.661 29.789 39.037 1.00 57.90 ? 427 ARG A C 1 ATOM 1551 O O . ARG A 1 204 ? 22.527 29.333 37.902 1.00 50.33 ? 427 ARG A O 1 ATOM 1552 C CB . ARG A 1 204 ? 20.887 29.822 40.777 1.00 59.78 ? 427 ARG A CB 1 ATOM 1553 C CG . ARG A 1 204 ? 19.885 28.810 40.250 1.00 63.39 ? 427 ARG A CG 1 ATOM 1554 C CD . ARG A 1 204 ? 19.371 27.915 41.366 1.00 78.74 ? 427 ARG A CD 1 ATOM 1555 N NE . ARG A 1 204 ? 18.818 28.677 42.483 1.00 90.07 ? 427 ARG A NE 1 ATOM 1556 C CZ . ARG A 1 204 ? 18.425 28.139 43.635 1.00 96.61 ? 427 ARG A CZ 1 ATOM 1557 N NH1 . ARG A 1 204 ? 18.525 26.828 43.831 1.00 88.60 ? 427 ARG A NH1 1 ATOM 1558 N NH2 . ARG A 1 204 ? 17.932 28.911 44.596 1.00 99.74 ? 427 ARG A NH2 1 ATOM 1559 N N . ALA A 1 205 ? 23.740 29.579 39.784 1.00 55.38 ? 428 ALA A N 1 ATOM 1560 C CA . ALA A 1 205 ? 24.851 28.761 39.324 1.00 57.74 ? 428 ALA A CA 1 ATOM 1561 C C . ALA A 1 205 ? 24.371 27.362 38.964 1.00 52.15 ? 428 ALA A C 1 ATOM 1562 O O . ALA A 1 205 ? 23.533 26.784 39.659 1.00 51.41 ? 428 ALA A O 1 ATOM 1563 C CB . ALA A 1 205 ? 25.930 28.689 40.393 1.00 57.04 ? 428 ALA A CB 1 ATOM 1564 N N . LEU A 1 206 ? 24.905 26.832 37.870 1.00 47.06 ? 429 LEU A N 1 ATOM 1565 C CA . LEU A 1 206 ? 24.584 25.485 37.418 1.00 44.18 ? 429 LEU A CA 1 ATOM 1566 C C . LEU A 1 206 ? 25.836 24.626 37.550 1.00 41.01 ? 429 LEU A C 1 ATOM 1567 O O . LEU A 1 206 ? 26.899 24.991 37.053 1.00 48.43 ? 429 LEU A O 1 ATOM 1568 C CB . LEU A 1 206 ? 24.120 25.526 35.960 1.00 41.30 ? 429 LEU A CB 1 ATOM 1569 C CG . LEU A 1 206 ? 23.549 24.256 35.336 1.00 44.76 ? 429 LEU A CG 1 ATOM 1570 C CD1 . LEU A 1 206 ? 22.240 23.876 35.992 1.00 52.58 ? 429 LEU A CD1 1 ATOM 1571 C CD2 . LEU A 1 206 ? 23.353 24.465 33.847 1.00 40.87 ? 429 LEU A CD2 1 ATOM 1572 N N . MET A 1 207 ? 25.722 23.492 38.228 1.00 37.46 ? 430 MET A N 1 ATOM 1573 C CA . MET A 1 207 ? 26.897 22.668 38.469 1.00 39.77 ? 430 MET A CA 1 ATOM 1574 C C . MET A 1 207 ? 26.772 21.261 37.912 1.00 44.70 ? 430 MET A C 1 ATOM 1575 O O . MET A 1 207 ? 25.689 20.681 37.881 1.00 44.29 ? 430 MET A O 1 ATOM 1576 C CB . MET A 1 207 ? 27.215 22.601 39.964 1.00 40.88 ? 430 MET A CB 1 ATOM 1577 C CG . MET A 1 207 ? 28.699 22.396 40.251 1.00 50.87 ? 430 MET A CG 1 ATOM 1578 S SD . MET A 1 207 ? 29.162 22.835 41.943 1.00 63.76 ? 430 MET A SD 1 ATOM 1579 C CE . MET A 1 207 ? 28.660 21.344 42.806 1.00 43.72 ? 430 MET A CE 1 ATOM 1580 N N . ARG A 1 208 ? 27.902 20.724 37.467 1.00 34.68 ? 431 ARG A N 1 ATOM 1581 C CA . ARG A 1 208 ? 27.986 19.340 37.039 1.00 33.59 ? 431 ARG A CA 1 ATOM 1582 C C . ARG A 1 208 ? 29.191 18.744 37.741 1.00 31.15 ? 431 ARG A C 1 ATOM 1583 O O . ARG A 1 208 ? 30.175 19.444 37.986 1.00 34.60 ? 431 ARG A O 1 ATOM 1584 C CB . ARG A 1 208 ? 28.181 19.250 35.529 1.00 34.55 ? 431 ARG A CB 1 ATOM 1585 C CG . ARG A 1 208 ? 27.034 19.795 34.683 1.00 40.27 ? 431 ARG A CG 1 ATOM 1586 C CD . ARG A 1 208 ? 25.825 18.881 34.705 1.00 37.88 ? 431 ARG A CD 1 ATOM 1587 N NE . ARG A 1 208 ? 24.739 19.459 35.485 1.00 63.20 ? 431 ARG A NE 1 ATOM 1588 C CZ . ARG A 1 208 ? 23.541 19.750 34.992 1.00 59.68 ? 431 ARG A CZ 1 ATOM 1589 N NH1 . ARG A 1 208 ? 23.262 19.494 33.724 1.00 63.63 ? 431 ARG A NH1 1 ATOM 1590 N NH2 . ARG A 1 208 ? 22.616 20.277 35.774 1.00 67.50 ? 431 ARG A NH2 1 ATOM 1591 N N . SER A 1 209 ? 29.113 17.460 38.072 1.00 33.89 ? 432 SER A N 1 ATOM 1592 C CA . SER A 1 209 ? 30.182 16.783 38.800 1.00 31.78 ? 432 SER A CA 1 ATOM 1593 C C . SER A 1 209 ? 30.475 15.444 38.156 1.00 33.79 ? 432 SER A C 1 ATOM 1594 O O . SER A 1 209 ? 29.565 14.762 37.681 1.00 34.55 ? 432 SER A O 1 ATOM 1595 C CB . SER A 1 209 ? 29.777 16.556 40.266 1.00 35.25 ? 432 SER A CB 1 ATOM 1596 O OG . SER A 1 209 ? 29.487 17.783 40.913 1.00 42.85 ? 432 SER A OG 1 ATOM 1597 N N . THR A 1 210 ? 31.745 15.057 38.155 1.00 32.01 ? 433 THR A N 1 ATOM 1598 C CA . THR A 1 210 ? 32.140 13.773 37.592 1.00 31.07 ? 433 THR A CA 1 ATOM 1599 C C . THR A 1 210 ? 33.202 13.086 38.451 1.00 33.94 ? 433 THR A C 1 ATOM 1600 O O . THR A 1 210 ? 33.963 13.741 39.168 1.00 36.29 ? 433 THR A O 1 ATOM 1601 C CB . THR A 1 210 ? 32.660 13.925 36.142 1.00 35.34 ? 433 THR A CB 1 ATOM 1602 O OG1 . THR A 1 210 ? 32.892 12.632 35.584 1.00 36.37 ? 433 THR A OG1 1 ATOM 1603 C CG2 . THR A 1 210 ? 33.955 14.718 36.111 1.00 29.79 ? 433 THR A CG2 1 ATOM 1604 N N . THR A 1 211 ? 33.235 11.761 38.377 1.00 32.61 ? 434 THR A N 1 ATOM 1605 C CA . THR A 1 211 ? 34.184 10.964 39.131 1.00 33.84 ? 434 THR A CA 1 ATOM 1606 C C . THR A 1 211 ? 34.269 9.589 38.480 1.00 35.27 ? 434 THR A C 1 ATOM 1607 O O . THR A 1 211 ? 33.424 9.237 37.657 1.00 34.14 ? 434 THR A O 1 ATOM 1608 C CB . THR A 1 211 ? 33.750 10.845 40.604 1.00 38.39 ? 434 THR A CB 1 ATOM 1609 O OG1 . THR A 1 211 ? 34.840 10.352 41.389 1.00 33.23 ? 434 THR A OG1 1 ATOM 1610 C CG2 . THR A 1 211 ? 32.544 9.920 40.742 1.00 37.63 ? 434 THR A CG2 1 ATOM 1611 N N . LYS A 1 212 ? 35.295 8.822 38.825 1.00 30.99 ? 435 LYS A N 1 ATOM 1612 C CA . LYS A 1 212 ? 35.480 7.504 38.224 1.00 37.52 ? 435 LYS A CA 1 ATOM 1613 C C . LYS A 1 212 ? 34.285 6.591 38.499 1.00 36.58 ? 435 LYS A C 1 ATOM 1614 O O . LYS A 1 212 ? 33.595 6.741 39.507 1.00 41.87 ? 435 LYS A O 1 ATOM 1615 C CB . LYS A 1 212 ? 36.760 6.846 38.745 1.00 49.96 ? 435 LYS A CB 1 ATOM 1616 C CG . LYS A 1 212 ? 36.623 6.249 40.143 1.00 57.72 ? 435 LYS A CG 1 ATOM 1617 C CD . LYS A 1 212 ? 37.874 5.487 40.553 1.00 67.10 ? 435 LYS A CD 1 ATOM 1618 C CE . LYS A 1 212 ? 37.749 4.929 41.967 1.00 73.47 ? 435 LYS A CE 1 ATOM 1619 N NZ . LYS A 1 212 ? 36.619 3.962 42.095 1.00 78.48 ? 435 LYS A NZ 1 ATOM 1620 N N . THR A 1 213 ? 34.043 5.642 37.601 1.00 39.87 ? 436 THR A N 1 ATOM 1621 C CA . THR A 1 213 ? 32.964 4.684 37.800 1.00 45.74 ? 436 THR A CA 1 ATOM 1622 C C . THR A 1 213 ? 33.214 3.884 39.070 1.00 50.51 ? 436 THR A C 1 ATOM 1623 O O . THR A 1 213 ? 34.365 3.643 39.450 1.00 50.06 ? 436 THR A O 1 ATOM 1624 C CB . THR A 1 213 ? 32.838 3.709 36.621 1.00 55.05 ? 436 THR A CB 1 ATOM 1625 O OG1 . THR A 1 213 ? 31.648 2.922 36.779 1.00 51.38 ? 436 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 213 ? 34.050 2.783 36.569 1.00 62.74 ? 436 THR A CG2 1 ATOM 1627 N N . SER A 1 214 ? 32.136 3.478 39.728 1.00 57.36 ? 437 SER A N 1 ATOM 1628 C CA . SER A 1 214 ? 32.245 2.659 40.929 1.00 70.35 ? 437 SER A CA 1 ATOM 1629 C C . SER A 1 214 ? 31.657 1.278 40.672 1.00 72.39 ? 437 SER A C 1 ATOM 1630 O O . SER A 1 214 ? 31.657 0.418 41.553 1.00 79.80 ? 437 SER A O 1 ATOM 1631 C CB . SER A 1 214 ? 31.544 3.331 42.115 1.00 73.01 ? 437 SER A CB 1 ATOM 1632 O OG . SER A 1 214 ? 30.233 3.750 41.770 1.00 74.98 ? 437 SER A OG 1 ATOM 1633 N N . GLY A 1 215 ? 31.163 1.073 39.455 1.00 65.92 ? 438 GLY A N 1 ATOM 1634 C CA . GLY A 1 215 ? 30.564 -0.194 39.084 1.00 63.84 ? 438 GLY A CA 1 ATOM 1635 C C . GLY A 1 215 ? 31.581 -1.302 38.883 1.00 63.61 ? 438 GLY A C 1 ATOM 1636 O O . GLY A 1 215 ? 32.778 -1.105 39.090 1.00 61.21 ? 438 GLY A O 1 ATOM 1637 N N . PRO A 1 216 ? 31.101 -2.489 38.492 1.00 65.40 ? 439 PRO A N 1 ATOM 1638 C CA . PRO A 1 216 ? 31.960 -3.624 38.147 1.00 59.06 ? 439 PRO A CA 1 ATOM 1639 C C . PRO A 1 216 ? 32.731 -3.318 36.869 1.00 42.61 ? 439 PRO A C 1 ATOM 1640 O O . PRO A 1 216 ? 32.273 -2.505 36.064 1.00 39.08 ? 439 PRO A O 1 ATOM 1641 C CB . PRO A 1 216 ? 30.948 -4.739 37.871 1.00 66.90 ? 439 PRO A CB 1 ATOM 1642 C CG . PRO A 1 216 ? 29.705 -3.998 37.456 1.00 67.72 ? 439 PRO A CG 1 ATOM 1643 C CD . PRO A 1 216 ? 29.677 -2.854 38.413 1.00 69.29 ? 439 PRO A CD 1 ATOM 1644 N N . ARG A 1 217 ? 33.879 -3.962 36.691 1.00 39.08 ? 440 ARG A N 1 ATOM 1645 C CA . ARG A 1 217 ? 34.688 -3.781 35.488 1.00 43.37 ? 440 ARG A CA 1 ATOM 1646 C C . ARG A 1 217 ? 34.749 -5.064 34.664 1.00 41.93 ? 440 ARG A C 1 ATOM 1647 O O . ARG A 1 217 ? 34.788 -6.166 35.208 1.00 41.18 ? 440 ARG A O 1 ATOM 1648 C CB . ARG A 1 217 ? 36.097 -3.300 35.850 1.00 46.42 ? 440 ARG A CB 1 ATOM 1649 C CG . ARG A 1 217 ? 36.109 -1.970 36.592 1.00 66.38 ? 440 ARG A CG 1 ATOM 1650 C CD . ARG A 1 217 ? 37.386 -1.173 36.334 1.00 80.51 ? 440 ARG A CD 1 ATOM 1651 N NE . ARG A 1 217 ? 38.443 -1.446 37.305 1.00 88.54 ? 440 ARG A NE 1 ATOM 1652 C CZ . ARG A 1 217 ? 39.424 -2.325 37.123 1.00 91.26 ? 440 ARG A CZ 1 ATOM 1653 N NH1 . ARG A 1 217 ? 39.488 -3.032 36.004 1.00 86.31 ? 440 ARG A NH1 1 ATOM 1654 N NH2 . ARG A 1 217 ? 40.342 -2.498 38.064 1.00 95.80 ? 440 ARG A NH2 1 ATOM 1655 N N . ALA A 1 218 ? 34.744 -4.912 33.346 1.00 33.86 ? 441 ALA A N 1 ATOM 1656 C CA . ALA A 1 218 ? 34.794 -6.051 32.447 1.00 38.94 ? 441 ALA A CA 1 ATOM 1657 C C . ALA A 1 218 ? 35.505 -5.622 31.174 1.00 33.87 ? 441 ALA A C 1 ATOM 1658 O O . ALA A 1 218 ? 35.133 -4.621 30.563 1.00 30.20 ? 441 ALA A O 1 ATOM 1659 C CB . ALA A 1 218 ? 33.391 -6.541 32.132 1.00 42.94 ? 441 ALA A CB 1 ATOM 1660 N N . ALA A 1 219 ? 36.537 -6.367 30.793 1.00 31.71 ? 442 ALA A N 1 ATOM 1661 C CA . ALA A 1 219 ? 37.348 -6.023 29.627 1.00 31.77 ? 442 ALA A CA 1 ATOM 1662 C C . ALA A 1 219 ? 36.593 -6.277 28.326 1.00 30.14 ? 442 ALA A C 1 ATOM 1663 O O . ALA A 1 219 ? 35.733 -7.156 28.265 1.00 29.64 ? 442 ALA A O 1 ATOM 1664 C CB . ALA A 1 219 ? 38.660 -6.793 29.640 1.00 27.21 ? 442 ALA A CB 1 ATOM 1665 N N . PRO A 1 220 ? 36.918 -5.501 27.282 1.00 31.03 ? 443 PRO A N 1 ATOM 1666 C CA . PRO A 1 220 ? 36.263 -5.594 25.972 1.00 26.40 ? 443 PRO A CA 1 ATOM 1667 C C . PRO A 1 220 ? 36.669 -6.852 25.226 1.00 29.93 ? 443 PRO A C 1 ATOM 1668 O O . PRO A 1 220 ? 37.802 -7.308 25.386 1.00 29.73 ? 443 PRO A O 1 ATOM 1669 C CB . PRO A 1 220 ? 36.819 -4.387 25.206 1.00 23.93 ? 443 PRO A CB 1 ATOM 1670 C CG . PRO A 1 220 ? 37.543 -3.559 26.193 1.00 27.70 ? 443 PRO A CG 1 ATOM 1671 C CD . PRO A 1 220 ? 37.956 -4.457 27.308 1.00 25.70 ? 443 PRO A CD 1 ATOM 1672 N N . GLU A 1 221 ? 35.757 -7.397 24.427 1.00 25.83 ? 444 GLU A N 1 ATOM 1673 C CA . GLU A 1 221 ? 36.085 -8.439 23.464 1.00 25.07 ? 444 GLU A CA 1 ATOM 1674 C C . GLU A 1 221 ? 36.172 -7.716 22.144 1.00 27.63 ? 444 GLU A C 1 ATOM 1675 O O . GLU A 1 221 ? 35.293 -6.931 21.831 1.00 27.29 ? 444 GLU A O 1 ATOM 1676 C CB . GLU A 1 221 ? 34.957 -9.455 23.322 1.00 27.50 ? 444 GLU A CB 1 ATOM 1677 C CG . GLU A 1 221 ? 34.455 -10.076 24.582 1.00 43.34 ? 444 GLU A CG 1 ATOM 1678 C CD . GLU A 1 221 ? 33.049 -10.626 24.394 1.00 45.50 ? 444 GLU A CD 1 ATOM 1679 O OE1 . GLU A 1 221 ? 32.671 -11.006 23.252 1.00 46.05 ? 444 GLU A OE1 1 ATOM 1680 O OE2 . GLU A 1 221 ? 32.316 -10.669 25.390 1.00 39.94 ? 444 GLU A OE2 1 ATOM 1681 N N . VAL A 1 222 ? 37.206 -7.994 21.361 1.00 23.96 ? 445 VAL A N 1 ATOM 1682 C CA . VAL A 1 222 ? 37.424 -7.263 20.114 1.00 24.88 ? 445 VAL A CA 1 ATOM 1683 C C . VAL A 1 222 ? 37.412 -8.244 18.953 1.00 28.90 ? 445 VAL A C 1 ATOM 1684 O O . VAL A 1 222 ? 38.074 -9.281 19.011 1.00 21.22 ? 445 VAL A O 1 ATOM 1685 C CB . VAL A 1 222 ? 38.759 -6.483 20.173 1.00 24.79 ? 445 VAL A CB 1 ATOM 1686 C CG1 . VAL A 1 222 ? 39.013 -5.720 18.899 1.00 18.08 ? 445 VAL A CG1 1 ATOM 1687 C CG2 . VAL A 1 222 ? 38.748 -5.513 21.352 1.00 24.56 ? 445 VAL A CG2 1 ATOM 1688 N N . TYR A 1 223 ? 36.622 -7.934 17.922 1.00 23.46 ? 446 TYR A N 1 ATOM 1689 C CA . TYR A 1 223 ? 36.522 -8.770 16.721 1.00 20.18 ? 446 TYR A CA 1 ATOM 1690 C C . TYR A 1 223 ? 36.611 -7.854 15.519 1.00 22.60 ? 446 TYR A C 1 ATOM 1691 O O . TYR A 1 223 ? 35.985 -6.796 15.503 1.00 25.78 ? 446 TYR A O 1 ATOM 1692 C CB . TYR A 1 223 ? 35.181 -9.504 16.675 1.00 25.36 ? 446 TYR A CB 1 ATOM 1693 C CG . TYR A 1 223 ? 34.868 -10.275 17.939 1.00 30.06 ? 446 TYR A CG 1 ATOM 1694 C CD1 . TYR A 1 223 ? 35.471 -11.502 18.191 1.00 33.89 ? 446 TYR A CD1 1 ATOM 1695 C CD2 . TYR A 1 223 ? 33.976 -9.769 18.887 1.00 35.45 ? 446 TYR A CD2 1 ATOM 1696 C CE1 . TYR A 1 223 ? 35.190 -12.214 19.354 1.00 32.57 ? 446 TYR A CE1 1 ATOM 1697 C CE2 . TYR A 1 223 ? 33.690 -10.475 20.055 1.00 32.54 ? 446 TYR A CE2 1 ATOM 1698 C CZ . TYR A 1 223 ? 34.300 -11.694 20.277 1.00 30.52 ? 446 TYR A CZ 1 ATOM 1699 O OH . TYR A 1 223 ? 34.021 -12.407 21.422 1.00 36.10 ? 446 TYR A OH 1 ATOM 1700 N N . ALA A 1 224 ? 37.380 -8.258 14.517 1.00 18.75 ? 447 ALA A N 1 ATOM 1701 C CA . ALA A 1 224 ? 37.654 -7.391 13.373 1.00 23.90 ? 447 ALA A CA 1 ATOM 1702 C C . ALA A 1 224 ? 37.337 -8.127 12.094 1.00 22.69 ? 447 ALA A C 1 ATOM 1703 O O . ALA A 1 224 ? 37.688 -9.290 11.949 1.00 25.45 ? 447 ALA A O 1 ATOM 1704 C CB . ALA A 1 224 ? 39.092 -6.961 13.365 1.00 25.43 ? 447 ALA A CB 1 ATOM 1705 N N . PHE A 1 225 ? 36.686 -7.438 11.164 1.00 22.53 ? 448 PHE A N 1 ATOM 1706 C CA . PHE A 1 225 ? 36.236 -8.057 9.924 1.00 19.31 ? 448 PHE A CA 1 ATOM 1707 C C . PHE A 1 225 ? 36.603 -7.183 8.718 1.00 23.30 ? 448 PHE A C 1 ATOM 1708 O O . PHE A 1 225 ? 36.640 -5.967 8.821 1.00 25.63 ? 448 PHE A O 1 ATOM 1709 C CB . PHE A 1 225 ? 34.720 -8.218 9.951 1.00 25.78 ? 448 PHE A CB 1 ATOM 1710 C CG . PHE A 1 225 ? 34.215 -9.015 11.125 1.00 35.00 ? 448 PHE A CG 1 ATOM 1711 C CD1 . PHE A 1 225 ? 34.173 -10.401 11.073 1.00 45.28 ? 448 PHE A CD1 1 ATOM 1712 C CD2 . PHE A 1 225 ? 33.780 -8.378 12.273 1.00 38.17 ? 448 PHE A CD2 1 ATOM 1713 C CE1 . PHE A 1 225 ? 33.709 -11.140 12.152 1.00 48.82 ? 448 PHE A CE1 1 ATOM 1714 C CE2 . PHE A 1 225 ? 33.317 -9.114 13.361 1.00 46.76 ? 448 PHE A CE2 1 ATOM 1715 C CZ . PHE A 1 225 ? 33.280 -10.494 13.295 1.00 44.20 ? 448 PHE A CZ 1 ATOM 1716 N N . ALA A 1 226 ? 36.853 -7.816 7.581 1.00 27.73 ? 449 ALA A N 1 ATOM 1717 C CA . ALA A 1 226 ? 37.111 -7.086 6.344 1.00 25.21 ? 449 ALA A CA 1 ATOM 1718 C C . ALA A 1 226 ? 35.965 -7.358 5.377 1.00 30.11 ? 449 ALA A C 1 ATOM 1719 O O . ALA A 1 226 ? 35.605 -8.512 5.147 1.00 28.96 ? 449 ALA A O 1 ATOM 1720 C CB . ALA A 1 226 ? 38.430 -7.541 5.734 1.00 23.77 ? 449 ALA A CB 1 ATOM 1721 N N . THR A 1 227 ? 35.385 -6.307 4.807 1.00 29.34 ? 450 THR A N 1 ATOM 1722 C CA . THR A 1 227 ? 34.370 -6.502 3.775 1.00 26.48 ? 450 THR A CA 1 ATOM 1723 C C . THR A 1 227 ? 34.969 -7.251 2.597 1.00 33.26 ? 450 THR A C 1 ATOM 1724 O O . THR A 1 227 ? 36.147 -7.065 2.268 1.00 33.87 ? 450 THR A O 1 ATOM 1725 C CB . THR A 1 227 ? 33.832 -5.162 3.247 1.00 27.98 ? 450 THR A CB 1 ATOM 1726 O OG1 . THR A 1 227 ? 34.919 -4.385 2.722 1.00 34.34 ? 450 THR A OG1 1 ATOM 1727 C CG2 . THR A 1 227 ? 33.152 -4.404 4.343 1.00 24.89 ? 450 THR A CG2 1 ATOM 1728 N N . PRO A 1 228 ? 34.163 -8.108 1.951 1.00 31.02 ? 451 PRO A N 1 ATOM 1729 C CA . PRO A 1 228 ? 34.591 -8.684 0.671 1.00 38.16 ? 451 PRO A CA 1 ATOM 1730 C C . PRO A 1 228 ? 34.546 -7.582 -0.365 1.00 35.90 ? 451 PRO A C 1 ATOM 1731 O O . PRO A 1 228 ? 33.888 -6.573 -0.122 1.00 31.69 ? 451 PRO A O 1 ATOM 1732 C CB . PRO A 1 228 ? 33.501 -9.707 0.344 1.00 41.91 ? 451 PRO A CB 1 ATOM 1733 C CG . PRO A 1 228 ? 32.498 -9.641 1.446 1.00 41.53 ? 451 PRO A CG 1 ATOM 1734 C CD . PRO A 1 228 ? 32.771 -8.438 2.286 1.00 34.77 ? 451 PRO A CD 1 ATOM 1735 N N . GLU A 1 229 ? 35.216 -7.764 -1.496 1.00 35.41 ? 452 GLU A N 1 ATOM 1736 C CA . GLU A 1 229 ? 35.147 -6.779 -2.568 1.00 38.88 ? 452 GLU A CA 1 ATOM 1737 C C . GLU A 1 229 ? 33.715 -6.613 -3.095 1.00 43.11 ? 452 GLU A C 1 ATOM 1738 O O . GLU A 1 229 ? 33.016 -7.590 -3.381 1.00 35.68 ? 452 GLU A O 1 ATOM 1739 C CB . GLU A 1 229 ? 36.093 -7.153 -3.715 1.00 33.99 ? 452 GLU A CB 1 ATOM 1740 C CG . GLU A 1 229 ? 36.063 -6.172 -4.878 1.00 44.51 ? 452 GLU A CG 1 ATOM 1741 C CD . GLU A 1 229 ? 37.104 -6.481 -5.949 1.00 57.17 ? 452 GLU A CD 1 ATOM 1742 O OE1 . GLU A 1 229 ? 38.243 -6.839 -5.591 1.00 51.22 ? 452 GLU A OE1 1 ATOM 1743 O OE2 . GLU A 1 229 ? 36.782 -6.352 -7.152 1.00 58.80 ? 452 GLU A OE2 1 ATOM 1744 N N . TRP A 1 230 ? 33.285 -5.366 -3.228 1.00 37.33 ? 453 TRP A N 1 ATOM 1745 C CA . TRP A 1 230 ? 31.971 -5.074 -3.776 1.00 37.09 ? 453 TRP A CA 1 ATOM 1746 C C . TRP A 1 230 ? 32.146 -4.740 -5.255 1.00 39.04 ? 453 TRP A C 1 ATOM 1747 O O . TRP A 1 230 ? 33.074 -4.012 -5.617 1.00 35.15 ? 453 TRP A O 1 ATOM 1748 C CB . TRP A 1 230 ? 31.330 -3.908 -3.021 1.00 33.18 ? 453 TRP A CB 1 ATOM 1749 C CG . TRP A 1 230 ? 29.873 -3.736 -3.317 1.00 32.43 ? 453 TRP A CG 1 ATOM 1750 C CD1 . TRP A 1 230 ? 29.310 -2.917 -4.261 1.00 31.82 ? 453 TRP A CD1 1 ATOM 1751 C CD2 . TRP A 1 230 ? 28.789 -4.408 -2.670 1.00 33.21 ? 453 TRP A CD2 1 ATOM 1752 N NE1 . TRP A 1 230 ? 27.934 -3.039 -4.234 1.00 34.49 ? 453 TRP A NE1 1 ATOM 1753 C CE2 . TRP A 1 230 ? 27.592 -3.944 -3.261 1.00 36.69 ? 453 TRP A CE2 1 ATOM 1754 C CE3 . TRP A 1 230 ? 28.713 -5.351 -1.638 1.00 36.00 ? 453 TRP A CE3 1 ATOM 1755 C CZ2 . TRP A 1 230 ? 26.338 -4.399 -2.861 1.00 36.15 ? 453 TRP A CZ2 1 ATOM 1756 C CZ3 . TRP A 1 230 ? 27.463 -5.797 -1.240 1.00 42.64 ? 453 TRP A CZ3 1 ATOM 1757 C CH2 . TRP A 1 230 ? 26.294 -5.318 -1.849 1.00 39.64 ? 453 TRP A CH2 1 ATOM 1758 N N . PRO A 1 231 ? 31.281 -5.293 -6.122 1.00 39.16 ? 454 PRO A N 1 ATOM 1759 C CA . PRO A 1 231 ? 31.449 -5.045 -7.560 1.00 42.95 ? 454 PRO A CA 1 ATOM 1760 C C . PRO A 1 231 ? 31.580 -3.556 -7.855 1.00 46.15 ? 454 PRO A C 1 ATOM 1761 O O . PRO A 1 231 ? 30.742 -2.777 -7.411 1.00 45.45 ? 454 PRO A O 1 ATOM 1762 C CB . PRO A 1 231 ? 30.152 -5.595 -8.164 1.00 48.27 ? 454 PRO A CB 1 ATOM 1763 C CG . PRO A 1 231 ? 29.726 -6.657 -7.211 1.00 53.19 ? 454 PRO A CG 1 ATOM 1764 C CD . PRO A 1 231 ? 30.147 -6.190 -5.841 1.00 47.59 ? 454 PRO A CD 1 ATOM 1765 N N . GLY A 1 232 ? 32.620 -3.173 -8.591 1.00 42.65 ? 455 GLY A N 1 ATOM 1766 C CA . GLY A 1 232 ? 32.848 -1.781 -8.934 1.00 45.19 ? 455 GLY A CA 1 ATOM 1767 C C . GLY A 1 232 ? 33.805 -1.041 -8.012 1.00 49.45 ? 455 GLY A C 1 ATOM 1768 O O . GLY A 1 232 ? 34.111 0.127 -8.245 1.00 54.63 ? 455 GLY A O 1 ATOM 1769 N N . SER A 1 233 ? 34.290 -1.717 -6.974 1.00 39.64 ? 456 SER A N 1 ATOM 1770 C CA . SER A 1 233 ? 35.173 -1.089 -5.991 1.00 42.02 ? 456 SER A CA 1 ATOM 1771 C C . SER A 1 233 ? 36.432 -1.913 -5.766 1.00 48.11 ? 456 SER A C 1 ATOM 1772 O O . SER A 1 233 ? 36.671 -2.401 -4.665 1.00 37.87 ? 456 SER A O 1 ATOM 1773 C CB . SER A 1 233 ? 34.445 -0.911 -4.657 1.00 48.95 ? 456 SER A CB 1 ATOM 1774 O OG . SER A 1 233 ? 33.476 0.118 -4.735 1.00 54.79 ? 456 SER A OG 1 ATOM 1775 N N . ARG A 1 234 ? 37.250 -2.052 -6.801 1.00 46.87 ? 457 ARG A N 1 ATOM 1776 C CA . ARG A 1 234 ? 38.387 -2.965 -6.732 1.00 49.78 ? 457 ARG A CA 1 ATOM 1777 C C . ARG A 1 234 ? 39.523 -2.536 -5.793 1.00 44.03 ? 457 ARG A C 1 ATOM 1778 O O . ARG A 1 234 ? 40.251 -3.388 -5.267 1.00 42.41 ? 457 ARG A O 1 ATOM 1779 C CB . ARG A 1 234 ? 38.952 -3.237 -8.132 1.00 58.79 ? 457 ARG A CB 1 ATOM 1780 C CG . ARG A 1 234 ? 39.841 -4.467 -8.172 1.00 73.25 ? 457 ARG A CG 1 ATOM 1781 C CD . ARG A 1 234 ? 40.643 -4.574 -9.452 1.00 90.45 ? 457 ARG A CD 1 ATOM 1782 N NE . ARG A 1 234 ? 41.700 -5.574 -9.315 1.00 99.81 ? 457 ARG A NE 1 ATOM 1783 C CZ . ARG A 1 234 ? 42.567 -5.889 -10.272 1.00 102.11 ? 457 ARG A CZ 1 ATOM 1784 N NH1 . ARG A 1 234 ? 42.508 -5.282 -11.450 1.00 99.93 ? 457 ARG A NH1 1 ATOM 1785 N NH2 . ARG A 1 234 ? 43.494 -6.812 -10.048 1.00 102.43 ? 457 ARG A NH2 1 ATOM 1786 N N . ASP A 1 235 ? 39.695 -1.234 -5.589 1.00 40.79 ? 458 ASP A N 1 ATOM 1787 C CA . ASP A 1 235 ? 40.869 -0.755 -4.851 1.00 45.09 ? 458 ASP A CA 1 ATOM 1788 C C . ASP A 1 235 ? 40.575 -0.225 -3.453 1.00 43.65 ? 458 ASP A C 1 ATOM 1789 O O . ASP A 1 235 ? 41.391 0.490 -2.869 1.00 45.61 ? 458 ASP A O 1 ATOM 1790 C CB . ASP A 1 235 ? 41.616 0.303 -5.657 1.00 48.93 ? 458 ASP A CB 1 ATOM 1791 C CG . ASP A 1 235 ? 42.088 -0.221 -6.993 1.00 60.73 ? 458 ASP A CG 1 ATOM 1792 O OD1 . ASP A 1 235 ? 42.444 -1.417 -7.061 1.00 54.81 ? 458 ASP A OD1 1 ATOM 1793 O OD2 . ASP A 1 235 ? 42.096 0.556 -7.971 1.00 60.41 ? 458 ASP A OD2 1 ATOM 1794 N N . LYS A 1 236 ? 39.413 -0.578 -2.917 1.00 42.43 ? 459 LYS A N 1 ATOM 1795 C CA . LYS A 1 236 ? 39.077 -0.197 -1.552 1.00 44.71 ? 459 LYS A CA 1 ATOM 1796 C C . LYS A 1 236 ? 38.360 -1.315 -0.808 1.00 44.59 ? 459 LYS A C 1 ATOM 1797 O O . LYS A 1 236 ? 37.633 -2.116 -1.402 1.00 36.64 ? 459 LYS A O 1 ATOM 1798 C CB . LYS A 1 236 ? 38.242 1.090 -1.529 1.00 53.07 ? 459 LYS A CB 1 ATOM 1799 C CG . LYS A 1 236 ? 37.132 1.141 -2.566 1.00 58.41 ? 459 LYS A CG 1 ATOM 1800 C CD . LYS A 1 236 ? 36.540 2.542 -2.658 1.00 63.78 ? 459 LYS A CD 1 ATOM 1801 C CE . LYS A 1 236 ? 35.411 2.608 -3.676 1.00 70.74 ? 459 LYS A CE 1 ATOM 1802 N NZ . LYS A 1 236 ? 34.844 3.984 -3.801 1.00 71.61 ? 459 LYS A NZ 1 ATOM 1803 N N . ARG A 1 237 ? 38.589 -1.375 0.500 1.00 37.97 ? 460 ARG A N 1 ATOM 1804 C CA . ARG A 1 237 ? 37.836 -2.266 1.366 1.00 38.23 ? 460 ARG A CA 1 ATOM 1805 C C . ARG A 1 237 ? 37.459 -1.504 2.617 1.00 29.99 ? 460 ARG A C 1 ATOM 1806 O O . ARG A 1 237 ? 38.021 -0.450 2.918 1.00 29.54 ? 460 ARG A O 1 ATOM 1807 C CB . ARG A 1 237 ? 38.659 -3.498 1.748 1.00 37.70 ? 460 ARG A CB 1 ATOM 1808 C CG . ARG A 1 237 ? 39.042 -4.390 0.580 1.00 41.34 ? 460 ARG A CG 1 ATOM 1809 C CD . ARG A 1 237 ? 37.841 -5.152 0.021 1.00 37.25 ? 460 ARG A CD 1 ATOM 1810 N NE . ARG A 1 237 ? 38.281 -6.205 -0.892 1.00 44.37 ? 460 ARG A NE 1 ATOM 1811 C CZ . ARG A 1 237 ? 38.521 -7.464 -0.526 1.00 63.00 ? 460 ARG A CZ 1 ATOM 1812 N NH1 . ARG A 1 237 ? 38.351 -7.839 0.736 1.00 61.92 ? 460 ARG A NH1 1 ATOM 1813 N NH2 . ARG A 1 237 ? 38.926 -8.353 -1.425 1.00 63.71 ? 460 ARG A NH2 1 ATOM 1814 N N . THR A 1 238 ? 36.503 -2.036 3.354 1.00 24.96 ? 461 THR A N 1 ATOM 1815 C CA . THR A 1 238 ? 36.177 -1.441 4.631 1.00 27.08 ? 461 THR A CA 1 ATOM 1816 C C . THR A 1 238 ? 36.409 -2.448 5.727 1.00 26.90 ? 461 THR A C 1 ATOM 1817 O O . THR A 1 238 ? 36.038 -3.612 5.589 1.00 26.18 ? 461 THR A O 1 ATOM 1818 C CB . THR A 1 238 ? 34.734 -0.950 4.641 1.00 27.60 ? 461 THR A CB 1 ATOM 1819 O OG1 . THR A 1 238 ? 34.589 0.027 3.601 1.00 28.74 ? 461 THR A OG1 1 ATOM 1820 C CG2 . THR A 1 238 ? 34.393 -0.329 5.987 1.00 27.68 ? 461 THR A CG2 1 ATOM 1821 N N . LEU A 1 239 ? 37.058 -2.002 6.800 1.00 25.85 ? 462 LEU A N 1 ATOM 1822 C CA . LEU A 1 239 ? 37.255 -2.836 7.976 1.00 23.09 ? 462 LEU A CA 1 ATOM 1823 C C . LEU A 1 239 ? 36.241 -2.436 9.021 1.00 23.54 ? 462 LEU A C 1 ATOM 1824 O O . LEU A 1 239 ? 35.993 -1.255 9.230 1.00 25.43 ? 462 LEU A O 1 ATOM 1825 C CB . LEU A 1 239 ? 38.669 -2.661 8.535 1.00 21.74 ? 462 LEU A CB 1 ATOM 1826 C CG . LEU A 1 239 ? 39.752 -2.775 7.454 1.00 27.74 ? 462 LEU A CG 1 ATOM 1827 C CD1 . LEU A 1 239 ? 41.152 -2.702 8.070 1.00 32.12 ? 462 LEU A CD1 1 ATOM 1828 C CD2 . LEU A 1 239 ? 39.575 -4.074 6.676 1.00 23.61 ? 462 LEU A CD2 1 ATOM 1829 N N . ALA A 1 240 ? 35.673 -3.426 9.692 1.00 23.40 ? 463 ALA A N 1 ATOM 1830 C CA . ALA A 1 240 ? 34.717 -3.163 10.750 1.00 26.52 ? 463 ALA A CA 1 ATOM 1831 C C . ALA A 1 240 ? 35.174 -3.890 12.002 1.00 26.26 ? 463 ALA A C 1 ATOM 1832 O O . ALA A 1 240 ? 35.538 -5.061 11.951 1.00 30.17 ? 463 ALA A O 1 ATOM 1833 C CB . ALA A 1 240 ? 33.344 -3.630 10.342 1.00 23.23 ? 463 ALA A CB 1 ATOM 1834 N N . CYS A 1 241 ? 35.155 -3.185 13.123 1.00 23.31 ? 464 CYS A N 1 ATOM 1835 C CA . CYS A 1 241 ? 35.592 -3.760 14.383 1.00 24.52 ? 464 CYS A CA 1 ATOM 1836 C C . CYS A 1 241 ? 34.451 -3.685 15.389 1.00 25.78 ? 464 CYS A C 1 ATOM 1837 O O . CYS A 1 241 ? 33.924 -2.604 15.646 1.00 25.75 ? 464 CYS A O 1 ATOM 1838 C CB . CYS A 1 241 ? 36.801 -2.980 14.901 1.00 24.73 ? 464 CYS A CB 1 ATOM 1839 S SG . CYS A 1 241 ? 37.606 -3.700 16.336 1.00 27.37 ? 464 CYS A SG 1 ATOM 1840 N N . LEU A 1 242 ? 34.055 -4.832 15.934 1.00 21.88 ? 465 LEU A N 1 ATOM 1841 C CA . LEU A 1 242 ? 33.017 -4.861 16.959 1.00 21.13 ? 465 LEU A CA 1 ATOM 1842 C C . LEU A 1 242 ? 33.694 -5.072 18.303 1.00 20.61 ? 465 LEU A C 1 ATOM 1843 O O . LEU A 1 242 ? 34.379 -6.072 18.513 1.00 26.05 ? 465 LEU A O 1 ATOM 1844 C CB . LEU A 1 242 ? 32.019 -5.983 16.693 1.00 22.68 ? 465 LEU A CB 1 ATOM 1845 C CG . LEU A 1 242 ? 31.058 -6.324 17.835 1.00 24.43 ? 465 LEU A CG 1 ATOM 1846 C CD1 . LEU A 1 242 ? 30.245 -5.108 18.234 1.00 23.69 ? 465 LEU A CD1 1 ATOM 1847 C CD2 . LEU A 1 242 ? 30.153 -7.476 17.410 1.00 23.40 ? 465 LEU A CD2 1 ATOM 1848 N N . ILE A 1 243 ? 33.517 -4.116 19.203 1.00 23.02 ? 466 ILE A N 1 ATOM 1849 C CA . ILE A 1 243 ? 34.105 -4.206 20.527 1.00 20.93 ? 466 ILE A CA 1 ATOM 1850 C C . ILE A 1 243 ? 32.960 -4.241 21.538 1.00 26.40 ? 466 ILE A C 1 ATOM 1851 O O . ILE A 1 243 ? 32.118 -3.351 21.557 1.00 25.72 ? 466 ILE A O 1 ATOM 1852 C CB . ILE A 1 243 ? 35.012 -3.007 20.796 1.00 23.70 ? 466 ILE A CB 1 ATOM 1853 C CG1 . ILE A 1 243 ? 36.121 -2.944 19.739 1.00 25.75 ? 466 ILE A CG1 1 ATOM 1854 C CG2 . ILE A 1 243 ? 35.627 -3.103 22.179 1.00 27.08 ? 466 ILE A CG2 1 ATOM 1855 C CD1 . ILE A 1 243 ? 36.765 -1.580 19.629 1.00 26.52 ? 466 ILE A CD1 1 ATOM 1856 N N . GLN A 1 244 ? 32.908 -5.282 22.355 1.00 22.45 ? 467 GLN A N 1 ATOM 1857 C CA . GLN A 1 244 ? 31.720 -5.469 23.171 1.00 24.39 ? 467 GLN A CA 1 ATOM 1858 C C . GLN A 1 244 ? 31.917 -6.107 24.539 1.00 27.88 ? 467 GLN A C 1 ATOM 1859 O O . GLN A 1 244 ? 32.956 -6.712 24.845 1.00 26.77 ? 467 GLN A O 1 ATOM 1860 C CB . GLN A 1 244 ? 30.669 -6.261 22.387 1.00 27.08 ? 467 GLN A CB 1 ATOM 1861 C CG . GLN A 1 244 ? 31.096 -7.668 21.992 1.00 25.96 ? 467 GLN A CG 1 ATOM 1862 C CD . GLN A 1 244 ? 29.989 -8.411 21.260 1.00 27.05 ? 467 GLN A CD 1 ATOM 1863 O OE1 . GLN A 1 244 ? 29.065 -7.800 20.723 1.00 28.74 ? 467 GLN A OE1 1 ATOM 1864 N NE2 . GLN A 1 244 ? 30.074 -9.732 21.247 1.00 33.05 ? 467 GLN A NE2 1 ATOM 1865 N N . ASN A 1 245 ? 30.875 -5.937 25.350 1.00 25.50 ? 468 ASN A N 1 ATOM 1866 C CA . ASN A 1 245 ? 30.743 -6.556 26.657 1.00 29.24 ? 468 ASN A CA 1 ATOM 1867 C C . ASN A 1 245 ? 31.678 -5.964 27.703 1.00 36.12 ? 468 ASN A C 1 ATOM 1868 O O . ASN A 1 245 ? 31.954 -6.592 28.725 1.00 32.16 ? 468 ASN A O 1 ATOM 1869 C CB . ASN A 1 245 ? 30.873 -8.077 26.552 1.00 29.55 ? 468 ASN A CB 1 ATOM 1870 C CG . ASN A 1 245 ? 29.693 -8.706 25.821 1.00 38.77 ? 468 ASN A CG 1 ATOM 1871 O OD1 . ASN A 1 245 ? 28.604 -8.129 25.768 1.00 37.64 ? 468 ASN A OD1 1 ATOM 1872 N ND2 . ASN A 1 245 ? 29.906 -9.886 25.248 1.00 33.51 ? 468 ASN A ND2 1 ATOM 1873 N N . PHE A 1 246 ? 32.136 -4.741 27.451 1.00 28.36 ? 469 PHE A N 1 ATOM 1874 C CA . PHE A 1 246 ? 32.994 -4.038 28.402 1.00 24.92 ? 469 PHE A CA 1 ATOM 1875 C C . PHE A 1 246 ? 32.199 -3.161 29.369 1.00 30.52 ? 469 PHE A C 1 ATOM 1876 O O . PHE A 1 246 ? 31.088 -2.719 29.063 1.00 32.10 ? 469 PHE A O 1 ATOM 1877 C CB . PHE A 1 246 ? 34.049 -3.201 27.673 1.00 30.85 ? 469 PHE A CB 1 ATOM 1878 C CG . PHE A 1 246 ? 33.473 -2.225 26.680 1.00 26.33 ? 469 PHE A CG 1 ATOM 1879 C CD1 . PHE A 1 246 ? 33.075 -0.957 27.086 1.00 28.32 ? 469 PHE A CD1 1 ATOM 1880 C CD2 . PHE A 1 246 ? 33.333 -2.575 25.341 1.00 29.35 ? 469 PHE A CD2 1 ATOM 1881 C CE1 . PHE A 1 246 ? 32.546 -0.055 26.177 1.00 26.72 ? 469 PHE A CE1 1 ATOM 1882 C CE2 . PHE A 1 246 ? 32.810 -1.676 24.420 1.00 28.29 ? 469 PHE A CE2 1 ATOM 1883 C CZ . PHE A 1 246 ? 32.411 -0.419 24.836 1.00 27.64 ? 469 PHE A CZ 1 ATOM 1884 N N . MET A 1 247 ? 32.795 -2.913 30.535 1.00 33.01 ? 470 MET A N 1 ATOM 1885 C CA . MET A 1 247 ? 32.224 -2.054 31.566 1.00 36.99 ? 470 MET A CA 1 ATOM 1886 C C . MET A 1 247 ? 33.374 -1.453 32.369 1.00 35.92 ? 470 MET A C 1 ATOM 1887 O O . MET A 1 247 ? 34.320 -2.157 32.707 1.00 33.36 ? 470 MET A O 1 ATOM 1888 C CB . MET A 1 247 ? 31.338 -2.864 32.511 1.00 43.40 ? 470 MET A CB 1 ATOM 1889 C CG . MET A 1 247 ? 29.912 -3.054 32.037 1.00 54.43 ? 470 MET A CG 1 ATOM 1890 S SD . MET A 1 247 ? 28.900 -3.868 33.287 1.00 113.46 ? 470 MET A SD 1 ATOM 1891 C CE . MET A 1 247 ? 29.845 -5.364 33.557 1.00 38.57 ? 470 MET A CE 1 ATOM 1892 N N . PRO A 1 248 ? 33.302 -0.151 32.679 1.00 39.15 ? 471 PRO A N 1 ATOM 1893 C CA . PRO A 1 248 ? 32.248 0.805 32.326 1.00 33.51 ? 471 PRO A CA 1 ATOM 1894 C C . PRO A 1 248 ? 32.290 1.134 30.838 1.00 38.80 ? 471 PRO A C 1 ATOM 1895 O O . PRO A 1 248 ? 33.053 0.524 30.091 1.00 32.87 ? 471 PRO A O 1 ATOM 1896 C CB . PRO A 1 248 ? 32.650 2.047 33.125 1.00 38.53 ? 471 PRO A CB 1 ATOM 1897 C CG . PRO A 1 248 ? 34.132 1.934 33.193 1.00 42.05 ? 471 PRO A CG 1 ATOM 1898 C CD . PRO A 1 248 ? 34.326 0.490 33.518 1.00 43.92 ? 471 PRO A CD 1 ATOM 1899 N N . GLU A 1 249 ? 31.501 2.115 30.421 1.00 30.48 ? 472 GLU A N 1 ATOM 1900 C CA . GLU A 1 249 ? 31.300 2.365 29.002 1.00 36.32 ? 472 GLU A CA 1 ATOM 1901 C C . GLU A 1 249 ? 32.431 3.157 28.354 1.00 36.10 ? 472 GLU A C 1 ATOM 1902 O O . GLU A 1 249 ? 32.556 3.168 27.135 1.00 39.74 ? 472 GLU A O 1 ATOM 1903 C CB . GLU A 1 249 ? 29.976 3.096 28.782 1.00 39.72 ? 472 GLU A CB 1 ATOM 1904 C CG . GLU A 1 249 ? 30.011 4.556 29.196 1.00 48.48 ? 472 GLU A CG 1 ATOM 1905 C CD . GLU A 1 249 ? 28.710 5.269 28.896 1.00 57.59 ? 472 GLU A CD 1 ATOM 1906 O OE1 . GLU A 1 249 ? 27.731 5.068 29.648 1.00 64.11 ? 472 GLU A OE1 1 ATOM 1907 O OE2 . GLU A 1 249 ? 28.669 6.028 27.905 1.00 52.08 ? 472 GLU A OE2 1 ATOM 1908 N N . ASP A 1 250 ? 33.241 3.831 29.165 1.00 29.52 ? 473 ASP A N 1 ATOM 1909 C CA . ASP A 1 250 ? 34.346 4.630 28.638 1.00 33.75 ? 473 ASP A CA 1 ATOM 1910 C C . ASP A 1 250 ? 35.373 3.771 27.904 1.00 32.32 ? 473 ASP A C 1 ATOM 1911 O O . ASP A 1 250 ? 35.907 2.806 28.452 1.00 33.62 ? 473 ASP A O 1 ATOM 1912 C CB . ASP A 1 250 ? 35.017 5.416 29.759 1.00 35.34 ? 473 ASP A CB 1 ATOM 1913 C CG . ASP A 1 250 ? 34.018 6.198 30.588 1.00 46.15 ? 473 ASP A CG 1 ATOM 1914 O OD1 . ASP A 1 250 ? 33.441 7.176 30.065 1.00 51.68 ? 473 ASP A OD1 1 ATOM 1915 O OD2 . ASP A 1 250 ? 33.805 5.824 31.758 1.00 50.27 ? 473 ASP A OD2 1 ATOM 1916 N N . ILE A 1 251 ? 35.640 4.129 26.655 1.00 30.94 ? 474 ILE A N 1 ATOM 1917 C CA . ILE A 1 251 ? 36.539 3.340 25.822 1.00 27.60 ? 474 ILE A CA 1 ATOM 1918 C C . ILE A 1 251 ? 37.171 4.231 24.761 1.00 32.86 ? 474 ILE A C 1 ATOM 1919 O O . ILE A 1 251 ? 36.553 5.195 24.304 1.00 32.57 ? 474 ILE A O 1 ATOM 1920 C CB . ILE A 1 251 ? 35.797 2.137 25.176 1.00 22.65 ? 474 ILE A CB 1 ATOM 1921 C CG1 . ILE A 1 251 ? 36.796 1.135 24.575 1.00 25.26 ? 474 ILE A CG1 1 ATOM 1922 C CG2 . ILE A 1 251 ? 34.767 2.600 24.143 1.00 25.21 ? 474 ILE A CG2 1 ATOM 1923 C CD1 . ILE A 1 251 ? 36.226 -0.245 24.456 1.00 25.29 ? 474 ILE A CD1 1 ATOM 1924 N N . SER A 1 252 ? 38.419 3.936 24.414 1.00 24.40 ? 475 SER A N 1 ATOM 1925 C CA . SER A 1 252 ? 39.087 4.592 23.300 1.00 30.79 ? 475 SER A CA 1 ATOM 1926 C C . SER A 1 252 ? 39.460 3.547 22.255 1.00 34.09 ? 475 SER A C 1 ATOM 1927 O O . SER A 1 252 ? 39.880 2.439 22.601 1.00 31.79 ? 475 SER A O 1 ATOM 1928 C CB . SER A 1 252 ? 40.349 5.311 23.775 1.00 27.46 ? 475 SER A CB 1 ATOM 1929 O OG . SER A 1 252 ? 40.031 6.371 24.664 1.00 29.72 ? 475 SER A OG 1 ATOM 1930 N N . VAL A 1 253 ? 39.311 3.904 20.982 1.00 26.71 ? 476 VAL A N 1 ATOM 1931 C CA . VAL A 1 253 ? 39.621 2.988 19.885 1.00 28.46 ? 476 VAL A CA 1 ATOM 1932 C C . VAL A 1 253 ? 40.640 3.619 18.955 1.00 26.60 ? 476 VAL A C 1 ATOM 1933 O O . VAL A 1 253 ? 40.513 4.788 18.587 1.00 33.39 ? 476 VAL A O 1 ATOM 1934 C CB . VAL A 1 253 ? 38.368 2.657 19.045 1.00 30.58 ? 476 VAL A CB 1 ATOM 1935 C CG1 . VAL A 1 253 ? 38.731 1.719 17.878 1.00 27.12 ? 476 VAL A CG1 1 ATOM 1936 C CG2 . VAL A 1 253 ? 37.287 2.049 19.913 1.00 25.96 ? 476 VAL A CG2 1 ATOM 1937 N N . GLN A 1 254 ? 41.660 2.857 18.580 1.00 28.05 ? 477 GLN A N 1 ATOM 1938 C CA . GLN A 1 254 ? 42.575 3.315 17.542 1.00 27.78 ? 477 GLN A CA 1 ATOM 1939 C C . GLN A 1 254 ? 42.820 2.208 16.533 1.00 32.49 ? 477 GLN A C 1 ATOM 1940 O O . GLN A 1 254 ? 42.542 1.043 16.799 1.00 27.95 ? 477 GLN A O 1 ATOM 1941 C CB . GLN A 1 254 ? 43.912 3.783 18.131 1.00 36.22 ? 477 GLN A CB 1 ATOM 1942 C CG . GLN A 1 254 ? 44.537 2.832 19.111 1.00 55.95 ? 477 GLN A CG 1 ATOM 1943 C CD . GLN A 1 254 ? 44.306 3.252 20.548 1.00 59.00 ? 477 GLN A CD 1 ATOM 1944 O OE1 . GLN A 1 254 ? 43.360 3.981 20.853 1.00 51.66 ? 477 GLN A OE1 1 ATOM 1945 N NE2 . GLN A 1 254 ? 45.178 2.797 21.439 1.00 65.77 ? 477 GLN A NE2 1 ATOM 1946 N N . TRP A 1 255 ? 43.348 2.580 15.371 1.00 24.36 ? 478 TRP A N 1 ATOM 1947 C CA . TRP A 1 255 ? 43.715 1.599 14.370 1.00 24.61 ? 478 TRP A CA 1 ATOM 1948 C C . TRP A 1 255 ? 45.181 1.811 14.095 1.00 20.77 ? 478 TRP A C 1 ATOM 1949 O O . TRP A 1 255 ? 45.653 2.942 14.101 1.00 31.21 ? 478 TRP A O 1 ATOM 1950 C CB . TRP A 1 255 ? 42.927 1.813 13.078 1.00 27.46 ? 478 TRP A CB 1 ATOM 1951 C CG . TRP A 1 255 ? 41.471 1.450 13.159 1.00 26.41 ? 478 TRP A CG 1 ATOM 1952 C CD1 . TRP A 1 255 ? 40.452 2.227 13.636 1.00 27.93 ? 478 TRP A CD1 1 ATOM 1953 C CD2 . TRP A 1 255 ? 40.870 0.220 12.729 1.00 28.60 ? 478 TRP A CD2 1 ATOM 1954 N NE1 . TRP A 1 255 ? 39.256 1.553 13.537 1.00 29.70 ? 478 TRP A NE1 1 ATOM 1955 C CE2 . TRP A 1 255 ? 39.484 0.319 12.986 1.00 30.87 ? 478 TRP A CE2 1 ATOM 1956 C CE3 . TRP A 1 255 ? 41.369 -0.954 12.159 1.00 27.67 ? 478 TRP A CE3 1 ATOM 1957 C CZ2 . TRP A 1 255 ? 38.591 -0.711 12.684 1.00 27.00 ? 478 TRP A CZ2 1 ATOM 1958 C CZ3 . TRP A 1 255 ? 40.480 -1.978 11.864 1.00 27.90 ? 478 TRP A CZ3 1 ATOM 1959 C CH2 . TRP A 1 255 ? 39.105 -1.848 12.130 1.00 26.83 ? 478 TRP A CH2 1 ATOM 1960 N N . LEU A 1 256 ? 45.897 0.716 13.872 1.00 26.90 ? 479 LEU A N 1 ATOM 1961 C CA . LEU A 1 256 ? 47.294 0.782 13.483 1.00 35.96 ? 479 LEU A CA 1 ATOM 1962 C C . LEU A 1 256 ? 47.509 0.017 12.186 1.00 38.96 ? 479 LEU A C 1 ATOM 1963 O O . LEU A 1 256 ? 46.853 -1.003 11.934 1.00 30.07 ? 479 LEU A O 1 ATOM 1964 C CB . LEU A 1 256 ? 48.188 0.207 14.585 1.00 30.42 ? 479 LEU A CB 1 ATOM 1965 C CG . LEU A 1 256 ? 48.079 0.806 15.990 1.00 35.26 ? 479 LEU A CG 1 ATOM 1966 C CD1 . LEU A 1 256 ? 47.068 0.048 16.850 1.00 35.81 ? 479 LEU A CD1 1 ATOM 1967 C CD2 . LEU A 1 256 ? 49.443 0.803 16.665 1.00 37.04 ? 479 LEU A CD2 1 ATOM 1968 N N . HIS A 1 257 ? 48.423 0.520 11.362 1.00 30.58 ? 480 HIS A N 1 ATOM 1969 C CA . HIS A 1 257 ? 48.844 -0.184 10.163 1.00 27.78 ? 480 HIS A CA 1 ATOM 1970 C C . HIS A 1 257 ? 50.337 0.034 9.977 1.00 38.95 ? 480 HIS A C 1 ATOM 1971 O O . HIS A 1 257 ? 50.832 1.138 10.175 1.00 34.62 ? 480 HIS A O 1 ATOM 1972 C CB . HIS A 1 257 ? 48.081 0.302 8.930 1.00 28.44 ? 480 HIS A CB 1 ATOM 1973 C CG . HIS A 1 257 ? 48.567 -0.305 7.650 1.00 32.21 ? 480 HIS A CG 1 ATOM 1974 N ND1 . HIS A 1 257 ? 49.181 0.436 6.663 1.00 32.44 ? 480 HIS A ND1 1 ATOM 1975 C CD2 . HIS A 1 257 ? 48.543 -1.581 7.203 1.00 33.71 ? 480 HIS A CD2 1 ATOM 1976 C CE1 . HIS A 1 257 ? 49.507 -0.358 5.659 1.00 38.64 ? 480 HIS A CE1 1 ATOM 1977 N NE2 . HIS A 1 257 ? 49.141 -1.589 5.964 1.00 35.38 ? 480 HIS A NE2 1 ATOM 1978 N N . ASN A 1 258 ? 51.052 -1.029 9.630 1.00 39.41 ? 481 ASN A N 1 ATOM 1979 C CA . ASN A 1 258 ? 52.500 -0.951 9.476 1.00 38.44 ? 481 ASN A CA 1 ATOM 1980 C C . ASN A 1 258 ? 53.152 -0.414 10.746 1.00 46.50 ? 481 ASN A C 1 ATOM 1981 O O . ASN A 1 258 ? 54.074 0.398 10.689 1.00 49.71 ? 481 ASN A O 1 ATOM 1982 C CB . ASN A 1 258 ? 52.855 -0.065 8.283 1.00 41.27 ? 481 ASN A CB 1 ATOM 1983 C CG . ASN A 1 258 ? 54.238 -0.335 7.758 1.00 56.56 ? 481 ASN A CG 1 ATOM 1984 O OD1 . ASN A 1 258 ? 54.744 -1.455 7.859 1.00 55.83 ? 481 ASN A OD1 1 ATOM 1985 N ND2 . ASN A 1 258 ? 54.863 0.688 7.185 1.00 60.64 ? 481 ASN A ND2 1 ATOM 1986 N N . GLU A 1 259 ? 52.647 -0.860 11.893 1.00 41.48 ? 482 GLU A N 1 ATOM 1987 C CA . GLU A 1 259 ? 53.206 -0.504 13.195 1.00 51.57 ? 482 GLU A CA 1 ATOM 1988 C C . GLU A 1 259 ? 52.970 0.949 13.615 1.00 53.69 ? 482 GLU A C 1 ATOM 1989 O O . GLU A 1 259 ? 53.429 1.366 14.677 1.00 55.40 ? 482 GLU A O 1 ATOM 1990 C CB . GLU A 1 259 ? 54.707 -0.815 13.246 1.00 60.56 ? 482 GLU A CB 1 ATOM 1991 C CG . GLU A 1 259 ? 55.106 -2.102 12.545 1.00 72.24 ? 482 GLU A CG 1 ATOM 1992 C CD . GLU A 1 259 ? 54.222 -3.271 12.924 1.00 78.92 ? 482 GLU A CD 1 ATOM 1993 O OE1 . GLU A 1 259 ? 53.767 -3.325 14.089 1.00 75.23 ? 482 GLU A OE1 1 ATOM 1994 O OE2 . GLU A 1 259 ? 53.984 -4.136 12.054 1.00 81.34 ? 482 GLU A OE2 1 ATOM 1995 N N . VAL A 1 260 ? 52.260 1.721 12.799 1.00 42.57 ? 483 VAL A N 1 ATOM 1996 C CA . VAL A 1 260 ? 51.997 3.110 13.160 1.00 40.54 ? 483 VAL A CA 1 ATOM 1997 C C . VAL A 1 260 ? 50.517 3.366 13.411 1.00 42.37 ? 483 VAL A C 1 ATOM 1998 O O . VAL A 1 260 ? 49.650 2.844 12.704 1.00 39.82 ? 483 VAL A O 1 ATOM 1999 C CB . VAL A 1 260 ? 52.525 4.100 12.101 1.00 55.35 ? 483 VAL A CB 1 ATOM 2000 C CG1 . VAL A 1 260 ? 51.523 4.261 10.976 1.00 59.25 ? 483 VAL A CG1 1 ATOM 2001 C CG2 . VAL A 1 260 ? 52.812 5.445 12.741 1.00 57.51 ? 483 VAL A CG2 1 ATOM 2002 N N . GLN A 1 261 ? 50.231 4.161 14.434 1.00 43.19 ? 484 GLN A N 1 ATOM 2003 C CA . GLN A 1 261 ? 48.858 4.504 14.748 1.00 42.85 ? 484 GLN A CA 1 ATOM 2004 C C . GLN A 1 261 ? 48.332 5.502 13.727 1.00 43.33 ? 484 GLN A C 1 ATOM 2005 O O . GLN A 1 261 ? 48.934 6.554 13.496 1.00 39.94 ? 484 GLN A O 1 ATOM 2006 C CB . GLN A 1 261 ? 48.752 5.069 16.164 1.00 50.62 ? 484 GLN A CB 1 ATOM 2007 C CG . GLN A 1 261 ? 47.348 5.506 16.550 1.00 47.57 ? 484 GLN A CG 1 ATOM 2008 C CD . GLN A 1 261 ? 47.223 5.824 18.025 1.00 46.88 ? 484 GLN A CD 1 ATOM 2009 O OE1 . GLN A 1 261 ? 47.621 5.033 18.879 1.00 55.14 ? 484 GLN A OE1 1 ATOM 2010 N NE2 . GLN A 1 261 ? 46.667 6.986 18.332 1.00 43.63 ? 484 GLN A NE2 1 ATOM 2011 N N . LEU A 1 262 ? 47.213 5.158 13.102 1.00 34.57 ? 485 LEU A N 1 ATOM 2012 C CA . LEU A 1 262 ? 46.591 6.029 12.115 1.00 35.84 ? 485 LEU A CA 1 ATOM 2013 C C . LEU A 1 262 ? 45.971 7.266 12.761 1.00 41.64 ? 485 LEU A C 1 ATOM 2014 O O . LEU A 1 262 ? 45.552 7.227 13.920 1.00 39.16 ? 485 LEU A O 1 ATOM 2015 C CB . LEU A 1 262 ? 45.524 5.257 11.333 1.00 39.48 ? 485 LEU A CB 1 ATOM 2016 C CG . LEU A 1 262 ? 46.077 4.103 10.499 1.00 40.82 ? 485 LEU A CG 1 ATOM 2017 C CD1 . LEU A 1 262 ? 44.972 3.439 9.685 1.00 38.90 ? 485 LEU A CD1 1 ATOM 2018 C CD2 . LEU A 1 262 ? 47.186 4.614 9.594 1.00 45.08 ? 485 LEU A CD2 1 ATOM 2019 N N . PRO A 1 263 ? 45.916 8.377 12.009 1.00 43.49 ? 486 PRO A N 1 ATOM 2020 C CA . PRO A 1 263 ? 45.282 9.607 12.495 1.00 39.41 ? 486 PRO A CA 1 ATOM 2021 C C . PRO A 1 263 ? 43.828 9.358 12.876 1.00 44.44 ? 486 PRO A C 1 ATOM 2022 O O . PRO A 1 263 ? 43.140 8.578 12.211 1.00 43.59 ? 486 PRO A O 1 ATOM 2023 C CB . PRO A 1 263 ? 45.358 10.545 11.287 1.00 44.08 ? 486 PRO A CB 1 ATOM 2024 C CG . PRO A 1 263 ? 46.498 10.027 10.476 1.00 51.15 ? 486 PRO A CG 1 ATOM 2025 C CD . PRO A 1 263 ? 46.504 8.540 10.668 1.00 43.35 ? 486 PRO A CD 1 ATOM 2026 N N . ASP A 1 264 ? 43.370 10.010 13.940 1.00 44.81 ? 487 ASP A N 1 ATOM 2027 C CA . ASP A 1 264 ? 42.010 9.824 14.432 1.00 52.73 ? 487 ASP A CA 1 ATOM 2028 C C . ASP A 1 264 ? 40.980 9.996 13.320 1.00 54.01 ? 487 ASP A C 1 ATOM 2029 O O . ASP A 1 264 ? 39.909 9.392 13.353 1.00 49.27 ? 487 ASP A O 1 ATOM 2030 C CB . ASP A 1 264 ? 41.711 10.811 15.562 1.00 58.69 ? 487 ASP A CB 1 ATOM 2031 C CG . ASP A 1 264 ? 42.746 10.765 16.667 1.00 70.52 ? 487 ASP A CG 1 ATOM 2032 O OD1 . ASP A 1 264 ? 42.954 11.804 17.329 1.00 81.59 ? 487 ASP A OD1 1 ATOM 2033 O OD2 . ASP A 1 264 ? 43.354 9.693 16.872 1.00 65.32 ? 487 ASP A OD2 1 ATOM 2034 N N . ALA A 1 265 ? 41.317 10.816 12.331 1.00 48.70 ? 488 ALA A N 1 ATOM 2035 C CA . ALA A 1 265 ? 40.376 11.167 11.273 1.00 46.20 ? 488 ALA A CA 1 ATOM 2036 C C . ALA A 1 265 ? 40.125 10.047 10.260 1.00 38.90 ? 488 ALA A C 1 ATOM 2037 O O . ALA A 1 265 ? 39.180 10.124 9.476 1.00 46.75 ? 488 ALA A O 1 ATOM 2038 C CB . ALA A 1 265 ? 40.838 12.432 10.560 1.00 55.99 ? 488 ALA A CB 1 ATOM 2039 N N . ARG A 1 266 ? 40.964 9.015 10.270 1.00 34.86 ? 489 ARG A N 1 ATOM 2040 C CA . ARG A 1 266 ? 40.815 7.912 9.323 1.00 37.00 ? 489 ARG A CA 1 ATOM 2041 C C . ARG A 1 266 ? 39.596 7.037 9.635 1.00 39.59 ? 489 ARG A C 1 ATOM 2042 O O . ARG A 1 266 ? 39.035 6.390 8.750 1.00 33.81 ? 489 ARG A O 1 ATOM 2043 C CB . ARG A 1 266 ? 42.072 7.041 9.304 1.00 36.64 ? 489 ARG A CB 1 ATOM 2044 C CG . ARG A 1 266 ? 43.270 7.645 8.566 1.00 43.74 ? 489 ARG A CG 1 ATOM 2045 C CD . ARG A 1 266 ? 43.040 7.714 7.056 1.00 46.71 ? 489 ARG A CD 1 ATOM 2046 N NE . ARG A 1 266 ? 42.709 6.411 6.480 1.00 42.66 ? 489 ARG A NE 1 ATOM 2047 C CZ . ARG A 1 266 ? 43.602 5.517 6.067 1.00 46.81 ? 489 ARG A CZ 1 ATOM 2048 N NH1 . ARG A 1 266 ? 44.902 5.770 6.165 1.00 41.68 ? 489 ARG A NH1 1 ATOM 2049 N NH2 . ARG A 1 266 ? 43.196 4.360 5.554 1.00 43.81 ? 489 ARG A NH2 1 ATOM 2050 N N . HIS A 1 267 ? 39.198 7.002 10.900 1.00 32.89 ? 490 HIS A N 1 ATOM 2051 C CA . HIS A 1 267 ? 38.142 6.087 11.313 1.00 36.50 ? 490 HIS A CA 1 ATOM 2052 C C . HIS A 1 267 ? 37.025 6.790 12.056 1.00 37.47 ? 490 HIS A C 1 ATOM 2053 O O . HIS A 1 267 ? 37.104 7.984 12.359 1.00 37.94 ? 490 HIS A O 1 ATOM 2054 C CB . HIS A 1 267 ? 38.707 4.973 12.197 1.00 31.74 ? 490 HIS A CB 1 ATOM 2055 C CG . HIS A 1 267 ? 38.984 5.408 13.602 1.00 38.03 ? 490 HIS A CG 1 ATOM 2056 N ND1 . HIS A 1 267 ? 40.193 5.940 13.990 1.00 38.82 ? 490 HIS A ND1 1 ATOM 2057 C CD2 . HIS A 1 267 ? 38.203 5.402 14.707 1.00 43.46 ? 490 HIS A CD2 1 ATOM 2058 C CE1 . HIS A 1 267 ? 40.150 6.236 15.277 1.00 44.96 ? 490 HIS A CE1 1 ATOM 2059 N NE2 . HIS A 1 267 ? 38.952 5.922 15.735 1.00 51.71 ? 490 HIS A NE2 1 ATOM 2060 N N . SER A 1 268 ? 35.978 6.025 12.341 1.00 32.89 ? 491 SER A N 1 ATOM 2061 C CA . SER A 1 268 ? 34.870 6.499 13.147 1.00 32.44 ? 491 SER A CA 1 ATOM 2062 C C . SER A 1 268 ? 34.511 5.402 14.138 1.00 34.76 ? 491 SER A C 1 ATOM 2063 O O . SER A 1 268 ? 34.706 4.217 13.870 1.00 33.58 ? 491 SER A O 1 ATOM 2064 C CB . SER A 1 268 ? 33.664 6.811 12.257 1.00 35.83 ? 491 SER A CB 1 ATOM 2065 O OG . SER A 1 268 ? 33.164 5.618 11.679 1.00 35.29 ? 491 SER A OG 1 ATOM 2066 N N . THR A 1 269 ? 33.996 5.794 15.291 1.00 27.46 ? 492 THR A N 1 ATOM 2067 C CA . THR A 1 269 ? 33.529 4.818 16.259 1.00 28.54 ? 492 THR A CA 1 ATOM 2068 C C . THR A 1 269 ? 32.175 5.264 16.775 1.00 29.82 ? 492 THR A C 1 ATOM 2069 O O . THR A 1 269 ? 31.974 6.451 17.054 1.00 32.49 ? 492 THR A O 1 ATOM 2070 C CB . THR A 1 269 ? 34.525 4.673 17.431 1.00 30.41 ? 492 THR A CB 1 ATOM 2071 O OG1 . THR A 1 269 ? 35.833 4.422 16.905 1.00 35.48 ? 492 THR A OG1 1 ATOM 2072 C CG2 . THR A 1 269 ? 34.128 3.517 18.328 1.00 29.22 ? 492 THR A CG2 1 ATOM 2073 N N . THR A 1 270 ? 31.241 4.325 16.880 1.00 29.20 ? 493 THR A N 1 ATOM 2074 C CA . THR A 1 270 ? 29.918 4.645 17.409 1.00 29.53 ? 493 THR A CA 1 ATOM 2075 C C . THR A 1 270 ? 29.997 4.957 18.901 1.00 38.47 ? 493 THR A C 1 ATOM 2076 O O . THR A 1 270 ? 30.949 4.558 19.575 1.00 32.80 ? 493 THR A O 1 ATOM 2077 C CB . THR A 1 270 ? 28.921 3.487 17.191 1.00 26.03 ? 493 THR A CB 1 ATOM 2078 O OG1 . THR A 1 270 ? 29.343 2.328 17.929 1.00 31.69 ? 493 THR A OG1 1 ATOM 2079 C CG2 . THR A 1 270 ? 28.819 3.142 15.720 1.00 23.77 ? 493 THR A CG2 1 ATOM 2080 N N . GLN A 1 271 ? 29.000 5.673 19.416 1.00 33.94 ? 494 GLN A N 1 ATOM 2081 C CA . GLN A 1 271 ? 28.898 5.905 20.856 1.00 35.13 ? 494 GLN A CA 1 ATOM 2082 C C . GLN A 1 271 ? 28.568 4.596 21.565 1.00 33.93 ? 494 GLN A C 1 ATOM 2083 O O . GLN A 1 271 ? 27.786 3.790 21.057 1.00 36.45 ? 494 GLN A O 1 ATOM 2084 C CB . GLN A 1 271 ? 27.809 6.940 21.157 1.00 47.83 ? 494 GLN A CB 1 ATOM 2085 C CG . GLN A 1 271 ? 27.981 8.264 20.425 1.00 72.84 ? 494 GLN A CG 1 ATOM 2086 C CD . GLN A 1 271 ? 26.796 9.200 20.617 1.00 95.88 ? 494 GLN A CD 1 ATOM 2087 O OE1 . GLN A 1 271 ? 26.316 9.395 21.735 1.00 104.61 ? 494 GLN A OE1 1 ATOM 2088 N NE2 . GLN A 1 271 ? 26.323 9.788 19.523 1.00 99.80 ? 494 GLN A NE2 1 ATOM 2089 N N . PRO A 1 272 ? 29.164 4.371 22.741 1.00 36.02 ? 495 PRO A N 1 ATOM 2090 C CA . PRO A 1 272 ? 28.873 3.138 23.480 1.00 28.33 ? 495 PRO A CA 1 ATOM 2091 C C . PRO A 1 272 ? 27.382 2.981 23.772 1.00 37.84 ? 495 PRO A C 1 ATOM 2092 O O . PRO A 1 272 ? 26.722 3.937 24.170 1.00 41.37 ? 495 PRO A O 1 ATOM 2093 C CB . PRO A 1 272 ? 29.663 3.314 24.779 1.00 35.81 ? 495 PRO A CB 1 ATOM 2094 C CG . PRO A 1 272 ? 30.788 4.216 24.407 1.00 36.65 ? 495 PRO A CG 1 ATOM 2095 C CD . PRO A 1 272 ? 30.219 5.170 23.388 1.00 39.20 ? 495 PRO A CD 1 ATOM 2096 N N . ARG A 1 273 ? 26.859 1.779 23.555 1.00 31.66 ? 496 ARG A N 1 ATOM 2097 C CA . ARG A 1 273 ? 25.468 1.486 23.849 1.00 38.57 ? 496 ARG A CA 1 ATOM 2098 C C . ARG A 1 273 ? 25.373 0.139 24.547 1.00 37.68 ? 496 ARG A C 1 ATOM 2099 O O . ARG A 1 273 ? 26.268 -0.689 24.427 1.00 32.47 ? 496 ARG A O 1 ATOM 2100 C CB . ARG A 1 273 ? 24.636 1.505 22.566 1.00 35.48 ? 496 ARG A CB 1 ATOM 2101 C CG . ARG A 1 273 ? 24.515 2.897 21.974 1.00 46.79 ? 496 ARG A CG 1 ATOM 2102 C CD . ARG A 1 273 ? 23.433 2.994 20.905 1.00 55.06 ? 496 ARG A CD 1 ATOM 2103 N NE . ARG A 1 273 ? 23.269 4.374 20.454 1.00 66.76 ? 496 ARG A NE 1 ATOM 2104 C CZ . ARG A 1 273 ? 23.962 4.931 19.463 1.00 74.73 ? 496 ARG A CZ 1 ATOM 2105 N NH1 . ARG A 1 273 ? 24.874 4.229 18.799 1.00 60.75 ? 496 ARG A NH1 1 ATOM 2106 N NH2 . ARG A 1 273 ? 23.741 6.197 19.136 1.00 83.55 ? 496 ARG A NH2 1 ATOM 2107 N N . LYS A 1 274 ? 24.301 -0.074 25.298 1.00 35.96 ? 497 LYS A N 1 ATOM 2108 C CA . LYS A 1 274 ? 24.156 -1.314 26.046 1.00 39.53 ? 497 LYS A CA 1 ATOM 2109 C C . LYS A 1 274 ? 23.956 -2.503 25.119 1.00 42.04 ? 497 LYS A C 1 ATOM 2110 O O . LYS A 1 274 ? 23.235 -2.413 24.129 1.00 46.06 ? 497 LYS A O 1 ATOM 2111 C CB . LYS A 1 274 ? 22.974 -1.233 27.023 1.00 43.96 ? 497 LYS A CB 1 ATOM 2112 C CG . LYS A 1 274 ? 23.247 -0.429 28.279 1.00 43.63 ? 497 LYS A CG 1 ATOM 2113 C CD . LYS A 1 274 ? 22.055 -0.480 29.230 1.00 62.11 ? 497 LYS A CD 1 ATOM 2114 C CE . LYS A 1 274 ? 20.755 -0.155 28.506 1.00 71.15 ? 497 LYS A CE 1 ATOM 2115 N NZ . LYS A 1 274 ? 19.571 -0.316 29.402 1.00 82.27 ? 497 LYS A NZ 1 ATOM 2116 N N . THR A 1 275 ? 24.606 -3.612 25.447 1.00 39.44 ? 498 THR A N 1 ATOM 2117 C CA . THR A 1 275 ? 24.272 -4.895 24.857 1.00 35.29 ? 498 THR A CA 1 ATOM 2118 C C . THR A 1 275 ? 22.946 -5.299 25.492 1.00 40.76 ? 498 THR A C 1 ATOM 2119 O O . THR A 1 275 ? 22.401 -4.554 26.304 1.00 42.42 ? 498 THR A O 1 ATOM 2120 C CB . THR A 1 275 ? 25.333 -5.946 25.191 1.00 40.16 ? 498 THR A CB 1 ATOM 2121 O OG1 . THR A 1 275 ? 25.394 -6.117 26.615 1.00 42.07 ? 498 THR A OG1 1 ATOM 2122 C CG2 . THR A 1 275 ? 26.714 -5.497 24.667 1.00 30.54 ? 498 THR A CG2 1 ATOM 2123 N N . LYS A 1 276 ? 22.432 -6.473 25.142 1.00 43.14 ? 499 LYS A N 1 ATOM 2124 C CA . LYS A 1 276 ? 21.128 -6.896 25.647 1.00 55.37 ? 499 LYS A CA 1 ATOM 2125 C C . LYS A 1 276 ? 21.247 -7.482 27.048 1.00 66.77 ? 499 LYS A C 1 ATOM 2126 O O . LYS A 1 276 ? 20.249 -7.827 27.682 1.00 78.95 ? 499 LYS A O 1 ATOM 2127 C CB . LYS A 1 276 ? 20.465 -7.884 24.680 1.00 63.14 ? 499 LYS A CB 1 ATOM 2128 C CG . LYS A 1 276 ? 19.968 -7.235 23.393 1.00 71.36 ? 499 LYS A CG 1 ATOM 2129 C CD . LYS A 1 276 ? 18.768 -6.330 23.661 1.00 77.28 ? 499 LYS A CD 1 ATOM 2130 C CE . LYS A 1 276 ? 18.274 -5.625 22.399 1.00 75.40 ? 499 LYS A CE 1 ATOM 2131 N NZ . LYS A 1 276 ? 18.993 -4.340 22.147 1.00 71.42 ? 499 LYS A NZ 1 ATOM 2132 N N . GLY A 1 277 ? 22.479 -7.579 27.530 1.00 59.63 ? 500 GLY A N 1 ATOM 2133 C CA . GLY A 1 277 ? 22.735 -8.076 28.864 1.00 72.08 ? 500 GLY A CA 1 ATOM 2134 C C . GLY A 1 277 ? 23.700 -7.166 29.589 1.00 71.88 ? 500 GLY A C 1 ATOM 2135 O O . GLY A 1 277 ? 23.396 -6.001 29.854 1.00 69.96 ? 500 GLY A O 1 ATOM 2136 N N . SER A 1 278 ? 24.875 -7.698 29.902 1.00 70.67 ? 501 SER A N 1 ATOM 2137 C CA . SER A 1 278 ? 25.890 -6.926 30.607 1.00 72.60 ? 501 SER A CA 1 ATOM 2138 C C . SER A 1 278 ? 26.821 -6.181 29.645 1.00 62.92 ? 501 SER A C 1 ATOM 2139 O O . SER A 1 278 ? 27.283 -6.736 28.637 1.00 52.79 ? 501 SER A O 1 ATOM 2140 C CB . SER A 1 278 ? 26.701 -7.832 31.538 1.00 79.30 ? 501 SER A CB 1 ATOM 2141 O OG . SER A 1 278 ? 25.858 -8.518 32.449 1.00 89.09 ? 501 SER A OG 1 ATOM 2142 N N . GLY A 1 279 ? 27.077 -4.916 29.955 1.00 51.52 ? 502 GLY A N 1 ATOM 2143 C CA . GLY A 1 279 ? 28.111 -4.167 29.269 1.00 46.99 ? 502 GLY A CA 1 ATOM 2144 C C . GLY A 1 279 ? 27.692 -3.409 28.027 1.00 46.54 ? 502 GLY A C 1 ATOM 2145 O O . GLY A 1 279 ? 26.512 -3.324 27.677 1.00 38.71 ? 502 GLY A O 1 ATOM 2146 N N . PHE A 1 280 ? 28.690 -2.859 27.349 1.00 33.23 ? 503 PHE A N 1 ATOM 2147 C CA . PHE A 1 280 ? 28.455 -1.958 26.236 1.00 30.63 ? 503 PHE A CA 1 ATOM 2148 C C . PHE A 1 280 ? 29.129 -2.482 24.991 1.00 31.28 ? 503 PHE A C 1 ATOM 2149 O O . PHE A 1 280 ? 29.938 -3.399 25.070 1.00 27.87 ? 503 PHE A O 1 ATOM 2150 C CB . PHE A 1 280 ? 29.011 -0.577 26.574 1.00 31.05 ? 503 PHE A CB 1 ATOM 2151 C CG . PHE A 1 280 ? 28.254 0.122 27.663 1.00 31.68 ? 503 PHE A CG 1 ATOM 2152 C CD1 . PHE A 1 280 ? 28.576 -0.086 28.990 1.00 33.46 ? 503 PHE A CD1 1 ATOM 2153 C CD2 . PHE A 1 280 ? 27.203 0.968 27.353 1.00 30.51 ? 503 PHE A CD2 1 ATOM 2154 C CE1 . PHE A 1 280 ? 27.876 0.552 29.991 1.00 40.43 ? 503 PHE A CE1 1 ATOM 2155 C CE2 . PHE A 1 280 ? 26.500 1.609 28.350 1.00 38.44 ? 503 PHE A CE2 1 ATOM 2156 C CZ . PHE A 1 280 ? 26.836 1.399 29.670 1.00 45.19 ? 503 PHE A CZ 1 ATOM 2157 N N . PHE A 1 281 ? 28.792 -1.899 23.843 1.00 31.33 ? 504 PHE A N 1 ATOM 2158 C CA . PHE A 1 281 ? 29.489 -2.221 22.602 1.00 28.94 ? 504 PHE A CA 1 ATOM 2159 C C . PHE A 1 281 ? 29.667 -0.967 21.764 1.00 27.85 ? 504 PHE A C 1 ATOM 2160 O O . PHE A 1 281 ? 28.908 -0.010 21.893 1.00 29.37 ? 504 PHE A O 1 ATOM 2161 C CB . PHE A 1 281 ? 28.721 -3.284 21.803 1.00 31.80 ? 504 PHE A CB 1 ATOM 2162 C CG . PHE A 1 281 ? 27.492 -2.755 21.105 1.00 29.96 ? 504 PHE A CG 1 ATOM 2163 C CD1 . PHE A 1 281 ? 27.558 -2.328 19.790 1.00 31.47 ? 504 PHE A CD1 1 ATOM 2164 C CD2 . PHE A 1 281 ? 26.272 -2.694 21.766 1.00 33.28 ? 504 PHE A CD2 1 ATOM 2165 C CE1 . PHE A 1 281 ? 26.436 -1.841 19.147 1.00 27.99 ? 504 PHE A CE1 1 ATOM 2166 C CE2 . PHE A 1 281 ? 25.145 -2.209 21.132 1.00 35.00 ? 504 PHE A CE2 1 ATOM 2167 C CZ . PHE A 1 281 ? 25.222 -1.781 19.826 1.00 32.89 ? 504 PHE A CZ 1 ATOM 2168 N N . VAL A 1 282 ? 30.685 -0.970 20.915 1.00 22.88 ? 505 VAL A N 1 ATOM 2169 C CA . VAL A 1 282 ? 30.837 0.061 19.904 1.00 19.54 ? 505 VAL A CA 1 ATOM 2170 C C . VAL A 1 282 ? 31.282 -0.645 18.639 1.00 24.17 ? 505 VAL A C 1 ATOM 2171 O O . VAL A 1 282 ? 31.800 -1.765 18.694 1.00 25.64 ? 505 VAL A O 1 ATOM 2172 C CB . VAL A 1 282 ? 31.896 1.124 20.275 1.00 22.11 ? 505 VAL A CB 1 ATOM 2173 C CG1 . VAL A 1 282 ? 31.487 1.901 21.521 1.00 26.24 ? 505 VAL A CG1 1 ATOM 2174 C CG2 . VAL A 1 282 ? 33.272 0.477 20.444 1.00 26.67 ? 505 VAL A CG2 1 ATOM 2175 N N . PHE A 1 283 ? 31.057 0.012 17.506 1.00 22.23 ? 506 PHE A N 1 ATOM 2176 C CA . PHE A 1 283 ? 31.554 -0.446 16.216 1.00 25.43 ? 506 PHE A CA 1 ATOM 2177 C C . PHE A 1 283 ? 32.522 0.628 15.742 1.00 24.95 ? 506 PHE A C 1 ATOM 2178 O O . PHE A 1 283 ? 32.220 1.818 15.833 1.00 23.03 ? 506 PHE A O 1 ATOM 2179 C CB . PHE A 1 283 ? 30.420 -0.508 15.186 1.00 24.83 ? 506 PHE A CB 1 ATOM 2180 C CG . PHE A 1 283 ? 29.581 -1.767 15.227 1.00 25.10 ? 506 PHE A CG 1 ATOM 2181 C CD1 . PHE A 1 283 ? 30.054 -2.958 14.687 1.00 28.22 ? 506 PHE A CD1 1 ATOM 2182 C CD2 . PHE A 1 283 ? 28.287 -1.735 15.737 1.00 25.12 ? 506 PHE A CD2 1 ATOM 2183 C CE1 . PHE A 1 283 ? 29.256 -4.108 14.684 1.00 25.91 ? 506 PHE A CE1 1 ATOM 2184 C CE2 . PHE A 1 283 ? 27.490 -2.875 15.747 1.00 23.60 ? 506 PHE A CE2 1 ATOM 2185 C CZ . PHE A 1 283 ? 27.974 -4.065 15.219 1.00 27.15 ? 506 PHE A CZ 1 ATOM 2186 N N . SER A 1 284 ? 33.665 0.226 15.211 1.00 23.67 ? 507 SER A N 1 ATOM 2187 C CA . SER A 1 284 ? 34.576 1.188 14.605 1.00 28.88 ? 507 SER A CA 1 ATOM 2188 C C . SER A 1 284 ? 34.782 0.817 13.141 1.00 28.66 ? 507 SER A C 1 ATOM 2189 O O . SER A 1 284 ? 34.818 -0.366 12.778 1.00 23.79 ? 507 SER A O 1 ATOM 2190 C CB . SER A 1 284 ? 35.911 1.242 15.349 1.00 26.56 ? 507 SER A CB 1 ATOM 2191 O OG . SER A 1 284 ? 36.720 2.311 14.868 1.00 26.58 ? 507 SER A OG 1 ATOM 2192 N N . ARG A 1 285 ? 34.928 1.832 12.300 1.00 29.10 ? 508 ARG A N 1 ATOM 2193 C CA . ARG A 1 285 ? 34.940 1.603 10.868 1.00 20.79 ? 508 ARG A CA 1 ATOM 2194 C C . ARG A 1 285 ? 36.148 2.285 10.239 1.00 26.17 ? 508 ARG A C 1 ATOM 2195 O O . ARG A 1 285 ? 36.410 3.456 10.497 1.00 28.18 ? 508 ARG A O 1 ATOM 2196 C CB . ARG A 1 285 ? 33.645 2.142 10.270 1.00 25.14 ? 508 ARG A CB 1 ATOM 2197 C CG . ARG A 1 285 ? 33.533 2.018 8.763 1.00 31.61 ? 508 ARG A CG 1 ATOM 2198 C CD . ARG A 1 285 ? 32.196 2.605 8.271 1.00 31.99 ? 508 ARG A CD 1 ATOM 2199 N NE . ARG A 1 285 ? 32.139 2.564 6.815 1.00 31.43 ? 508 ARG A NE 1 ATOM 2200 C CZ . ARG A 1 285 ? 32.666 3.494 6.031 1.00 33.54 ? 508 ARG A CZ 1 ATOM 2201 N NH1 . ARG A 1 285 ? 33.269 4.547 6.570 1.00 33.30 ? 508 ARG A NH1 1 ATOM 2202 N NH2 . ARG A 1 285 ? 32.593 3.367 4.715 1.00 34.29 ? 508 ARG A NH2 1 ATOM 2203 N N . LEU A 1 286 ? 36.878 1.546 9.412 1.00 26.73 ? 509 LEU A N 1 ATOM 2204 C CA . LEU A 1 286 ? 38.068 2.082 8.777 1.00 28.46 ? 509 LEU A CA 1 ATOM 2205 C C . LEU A 1 286 ? 38.111 1.724 7.296 1.00 35.07 ? 509 LEU A C 1 ATOM 2206 O O . LEU A 1 286 ? 38.184 0.549 6.937 1.00 29.15 ? 509 LEU A O 1 ATOM 2207 C CB . LEU A 1 286 ? 39.337 1.574 9.474 1.00 22.45 ? 509 LEU A CB 1 ATOM 2208 C CG . LEU A 1 286 ? 40.635 1.983 8.770 1.00 26.98 ? 509 LEU A CG 1 ATOM 2209 C CD1 . LEU A 1 286 ? 40.922 3.457 9.007 1.00 30.27 ? 509 LEU A CD1 1 ATOM 2210 C CD2 . LEU A 1 286 ? 41.826 1.131 9.207 1.00 27.46 ? 509 LEU A CD2 1 ATOM 2211 N N . GLU A 1 287 ? 38.064 2.744 6.443 1.00 30.30 ? 510 GLU A N 1 ATOM 2212 C CA . GLU A 1 287 ? 38.208 2.550 5.007 1.00 27.38 ? 510 GLU A CA 1 ATOM 2213 C C . GLU A 1 287 ? 39.691 2.431 4.692 1.00 31.37 ? 510 GLU A C 1 ATOM 2214 O O . GLU A 1 287 ? 40.485 3.272 5.120 1.00 37.85 ? 510 GLU A O 1 ATOM 2215 C CB . GLU A 1 287 ? 37.601 3.741 4.246 1.00 29.79 ? 510 GLU A CB 1 ATOM 2216 C CG . GLU A 1 287 ? 36.164 4.074 4.650 1.00 37.54 ? 510 GLU A CG 1 ATOM 2217 C CD . GLU A 1 287 ? 35.679 5.436 4.125 1.00 43.34 ? 510 GLU A CD 1 ATOM 2218 O OE1 . GLU A 1 287 ? 36.278 5.985 3.179 1.00 42.96 ? 510 GLU A OE1 1 ATOM 2219 O OE2 . GLU A 1 287 ? 34.690 5.962 4.673 1.00 45.53 ? 510 GLU A OE2 1 ATOM 2220 N N . VAL A 1 288 ? 40.072 1.391 3.954 1.00 35.59 ? 511 VAL A N 1 ATOM 2221 C CA . VAL A 1 288 ? 41.473 1.201 3.574 1.00 32.28 ? 511 VAL A CA 1 ATOM 2222 C C . VAL A 1 288 ? 41.629 1.076 2.055 1.00 34.13 ? 511 VAL A C 1 ATOM 2223 O O . VAL A 1 288 ? 40.652 0.839 1.333 1.00 35.58 ? 511 VAL A O 1 ATOM 2224 C CB . VAL A 1 288 ? 42.099 -0.038 4.255 1.00 34.07 ? 511 VAL A CB 1 ATOM 2225 C CG1 . VAL A 1 288 ? 42.077 0.116 5.777 1.00 38.05 ? 511 VAL A CG1 1 ATOM 2226 C CG2 . VAL A 1 288 ? 41.361 -1.302 3.835 1.00 29.84 ? 511 VAL A CG2 1 ATOM 2227 N N . THR A 1 289 ? 42.865 1.225 1.589 1.00 35.47 ? 512 THR A N 1 ATOM 2228 C CA . THR A 1 289 ? 43.169 1.247 0.163 1.00 43.81 ? 512 THR A CA 1 ATOM 2229 C C . THR A 1 289 ? 44.051 0.072 -0.241 1.00 45.11 ? 512 THR A C 1 ATOM 2230 O O . THR A 1 289 ? 44.815 -0.451 0.571 1.00 40.42 ? 512 THR A O 1 ATOM 2231 C CB . THR A 1 289 ? 43.929 2.528 -0.213 1.00 41.79 ? 512 THR A CB 1 ATOM 2232 O OG1 . THR A 1 289 ? 45.225 2.505 0.393 1.00 39.52 ? 512 THR A OG1 1 ATOM 2233 C CG2 . THR A 1 289 ? 43.179 3.752 0.264 1.00 47.10 ? 512 THR A CG2 1 ATOM 2234 N N . ARG A 1 290 ? 43.959 -0.321 -1.508 1.00 43.86 ? 513 ARG A N 1 ATOM 2235 C CA . ARG A 1 290 ? 44.793 -1.394 -2.036 1.00 40.00 ? 513 ARG A CA 1 ATOM 2236 C C . ARG A 1 290 ? 46.272 -1.152 -1.725 1.00 35.01 ? 513 ARG A C 1 ATOM 2237 O O . ARG A 1 290 ? 46.994 -2.080 -1.370 1.00 39.24 ? 513 ARG A O 1 ATOM 2238 C CB . ARG A 1 290 ? 44.578 -1.555 -3.547 1.00 45.31 ? 513 ARG A CB 1 ATOM 2239 C CG . ARG A 1 290 ? 45.430 -2.646 -4.174 1.00 43.55 ? 513 ARG A CG 1 ATOM 2240 C CD . ARG A 1 290 ? 45.099 -2.853 -5.640 1.00 52.02 ? 513 ARG A CD 1 ATOM 2241 N NE . ARG A 1 290 ? 43.815 -3.523 -5.818 1.00 53.68 ? 513 ARG A NE 1 ATOM 2242 C CZ . ARG A 1 290 ? 43.634 -4.834 -5.691 1.00 56.14 ? 513 ARG A CZ 1 ATOM 2243 N NH1 . ARG A 1 290 ? 44.654 -5.624 -5.377 1.00 58.97 ? 513 ARG A NH1 1 ATOM 2244 N NH2 . ARG A 1 290 ? 42.431 -5.356 -5.869 1.00 52.77 ? 513 ARG A NH2 1 ATOM 2245 N N . ALA A 1 291 ? 46.709 0.099 -1.849 1.00 42.13 ? 514 ALA A N 1 ATOM 2246 C CA . ALA A 1 291 ? 48.108 0.448 -1.622 1.00 44.72 ? 514 ALA A CA 1 ATOM 2247 C C . ALA A 1 291 ? 48.519 0.087 -0.203 1.00 45.68 ? 514 ALA A C 1 ATOM 2248 O O . ALA A 1 291 ? 49.641 -0.365 0.045 1.00 41.45 ? 514 ALA A O 1 ATOM 2249 C CB . ALA A 1 291 ? 48.331 1.928 -1.876 1.00 45.26 ? 514 ALA A CB 1 ATOM 2250 N N . GLU A 1 292 ? 47.601 0.289 0.730 1.00 43.58 ? 515 GLU A N 1 ATOM 2251 C CA . GLU A 1 292 ? 47.858 -0.053 2.118 1.00 42.39 ? 515 GLU A CA 1 ATOM 2252 C C . GLU A 1 292 ? 47.979 -1.563 2.315 1.00 34.41 ? 515 GLU A C 1 ATOM 2253 O O . GLU A 1 292 ? 48.994 -2.036 2.819 1.00 36.69 ? 515 GLU A O 1 ATOM 2254 C CB . GLU A 1 292 ? 46.798 0.565 3.039 1.00 39.73 ? 515 GLU A CB 1 ATOM 2255 C CG . GLU A 1 292 ? 47.034 2.054 3.278 1.00 42.24 ? 515 GLU A CG 1 ATOM 2256 C CD . GLU A 1 292 ? 45.840 2.778 3.865 1.00 48.49 ? 515 GLU A CD 1 ATOM 2257 O OE1 . GLU A 1 292 ? 44.706 2.259 3.779 1.00 47.25 ? 515 GLU A OE1 1 ATOM 2258 O OE2 . GLU A 1 292 ? 46.038 3.884 4.407 1.00 44.92 ? 515 GLU A OE2 1 ATOM 2259 N N . TRP A 1 293 ? 46.967 -2.328 1.909 1.00 35.05 ? 516 TRP A N 1 ATOM 2260 C CA . TRP A 1 293 ? 47.010 -3.762 2.199 1.00 36.43 ? 516 TRP A CA 1 ATOM 2261 C C . TRP A 1 293 ? 48.050 -4.519 1.379 1.00 40.25 ? 516 TRP A C 1 ATOM 2262 O O . TRP A 1 293 ? 48.499 -5.589 1.788 1.00 41.80 ? 516 TRP A O 1 ATOM 2263 C CB . TRP A 1 293 ? 45.631 -4.435 2.145 1.00 38.50 ? 516 TRP A CB 1 ATOM 2264 C CG . TRP A 1 293 ? 45.106 -4.758 0.781 1.00 40.82 ? 516 TRP A CG 1 ATOM 2265 C CD1 . TRP A 1 293 ? 45.582 -5.705 -0.085 1.00 51.16 ? 516 TRP A CD1 1 ATOM 2266 C CD2 . TRP A 1 293 ? 43.975 -4.161 0.137 1.00 42.29 ? 516 TRP A CD2 1 ATOM 2267 N NE1 . TRP A 1 293 ? 44.824 -5.721 -1.232 1.00 45.18 ? 516 TRP A NE1 1 ATOM 2268 C CE2 . TRP A 1 293 ? 43.834 -4.780 -1.123 1.00 45.65 ? 516 TRP A CE2 1 ATOM 2269 C CE3 . TRP A 1 293 ? 43.074 -3.154 0.497 1.00 38.46 ? 516 TRP A CE3 1 ATOM 2270 C CZ2 . TRP A 1 293 ? 42.828 -4.427 -2.021 1.00 45.74 ? 516 TRP A CZ2 1 ATOM 2271 C CZ3 . TRP A 1 293 ? 42.073 -2.807 -0.395 1.00 39.22 ? 516 TRP A CZ3 1 ATOM 2272 C CH2 . TRP A 1 293 ? 41.961 -3.440 -1.640 1.00 39.69 ? 516 TRP A CH2 1 ATOM 2273 N N . GLU A 1 294 ? 48.442 -3.958 0.239 1.00 43.45 ? 517 GLU A N 1 ATOM 2274 C CA . GLU A 1 294 ? 49.481 -4.572 -0.579 1.00 44.07 ? 517 GLU A CA 1 ATOM 2275 C C . GLU A 1 294 ? 50.855 -4.311 0.020 1.00 44.62 ? 517 GLU A C 1 ATOM 2276 O O . GLU A 1 294 ? 51.778 -5.109 -0.145 1.00 51.24 ? 517 GLU A O 1 ATOM 2277 C CB . GLU A 1 294 ? 49.405 -4.071 -2.027 1.00 49.74 ? 517 GLU A CB 1 ATOM 2278 C CG . GLU A 1 294 ? 48.159 -4.544 -2.760 1.00 43.58 ? 517 GLU A CG 1 ATOM 2279 C CD . GLU A 1 294 ? 48.270 -4.423 -4.275 1.00 57.11 ? 517 GLU A CD 1 ATOM 2280 O OE1 . GLU A 1 294 ? 49.010 -3.539 -4.759 1.00 53.62 ? 517 GLU A OE1 1 ATOM 2281 O OE2 . GLU A 1 294 ? 47.605 -5.212 -4.979 1.00 63.13 ? 517 GLU A OE2 1 ATOM 2282 N N . GLN A 1 295 ? 50.984 -3.192 0.723 1.00 45.16 ? 518 GLN A N 1 ATOM 2283 C CA . GLN A 1 295 ? 52.210 -2.888 1.452 1.00 44.27 ? 518 GLN A CA 1 ATOM 2284 C C . GLN A 1 295 ? 52.352 -3.828 2.640 1.00 49.64 ? 518 GLN A C 1 ATOM 2285 O O . GLN A 1 295 ? 53.397 -4.439 2.848 1.00 46.32 ? 518 GLN A O 1 ATOM 2286 C CB . GLN A 1 295 ? 52.190 -1.444 1.940 1.00 57.78 ? 518 GLN A CB 1 ATOM 2287 C CG . GLN A 1 295 ? 53.202 -1.149 3.024 1.00 67.13 ? 518 GLN A CG 1 ATOM 2288 C CD . GLN A 1 295 ? 52.701 -0.102 3.997 1.00 80.23 ? 518 GLN A CD 1 ATOM 2289 O OE1 . GLN A 1 295 ? 52.066 0.880 3.604 1.00 80.97 ? 518 GLN A OE1 1 ATOM 2290 N NE2 . GLN A 1 295 ? 52.974 -0.310 5.276 1.00 83.54 ? 518 GLN A NE2 1 ATOM 2291 N N . LYS A 1 296 ? 51.291 -3.938 3.431 1.00 38.42 ? 519 LYS A N 1 ATOM 2292 C CA . LYS A 1 296 ? 51.271 -4.919 4.503 1.00 34.80 ? 519 LYS A CA 1 ATOM 2293 C C . LYS A 1 296 ? 49.827 -5.223 4.824 1.00 34.05 ? 519 LYS A C 1 ATOM 2294 O O . LYS A 1 296 ? 49.074 -4.332 5.207 1.00 33.98 ? 519 LYS A O 1 ATOM 2295 C CB . LYS A 1 296 ? 52.012 -4.407 5.741 1.00 39.88 ? 519 LYS A CB 1 ATOM 2296 C CG . LYS A 1 296 ? 52.038 -5.405 6.888 1.00 39.21 ? 519 LYS A CG 1 ATOM 2297 C CD . LYS A 1 296 ? 53.078 -5.032 7.930 1.00 52.00 ? 519 LYS A CD 1 ATOM 2298 C CE . LYS A 1 296 ? 53.149 -6.078 9.030 1.00 55.75 ? 519 LYS A CE 1 ATOM 2299 N NZ . LYS A 1 296 ? 53.281 -7.450 8.465 1.00 62.17 ? 519 LYS A NZ 1 ATOM 2300 N N . ASP A 1 297 ? 49.430 -6.473 4.624 1.00 33.73 ? 520 ASP A N 1 ATOM 2301 C CA . ASP A 1 297 ? 48.032 -6.839 4.802 1.00 38.11 ? 520 ASP A CA 1 ATOM 2302 C C . ASP A 1 297 ? 47.749 -7.227 6.251 1.00 34.90 ? 520 ASP A C 1 ATOM 2303 O O . ASP A 1 297 ? 47.524 -8.399 6.559 1.00 34.53 ? 520 ASP A O 1 ATOM 2304 C CB . ASP A 1 297 ? 47.640 -7.969 3.853 1.00 39.42 ? 520 ASP A CB 1 ATOM 2305 C CG . ASP A 1 297 ? 46.149 -8.237 3.860 1.00 42.26 ? 520 ASP A CG 1 ATOM 2306 O OD1 . ASP A 1 297 ? 45.399 -7.421 4.447 1.00 36.78 ? 520 ASP A OD1 1 ATOM 2307 O OD2 . ASP A 1 297 ? 45.730 -9.265 3.287 1.00 36.03 ? 520 ASP A OD2 1 ATOM 2308 N N . GLU A 1 298 ? 47.788 -6.234 7.134 1.00 32.11 ? 521 GLU A N 1 ATOM 2309 C CA . GLU A 1 298 ? 47.424 -6.414 8.542 1.00 28.74 ? 521 GLU A CA 1 ATOM 2310 C C . GLU A 1 298 ? 47.043 -5.067 9.134 1.00 34.62 ? 521 GLU A C 1 ATOM 2311 O O . GLU A 1 298 ? 47.812 -4.112 9.085 1.00 31.28 ? 521 GLU A O 1 ATOM 2312 C CB . GLU A 1 298 ? 48.562 -7.043 9.361 1.00 28.91 ? 521 GLU A CB 1 ATOM 2313 C CG . GLU A 1 298 ? 48.157 -7.369 10.823 1.00 20.84 ? 521 GLU A CG 1 ATOM 2314 C CD . GLU A 1 298 ? 49.321 -7.892 11.652 1.00 30.82 ? 521 GLU A CD 1 ATOM 2315 O OE1 . GLU A 1 298 ? 50.445 -7.385 11.470 1.00 35.38 ? 521 GLU A OE1 1 ATOM 2316 O OE2 . GLU A 1 298 ? 49.107 -8.800 12.486 1.00 32.36 ? 521 GLU A OE2 1 ATOM 2317 N N . PHE A 1 299 ? 45.839 -4.995 9.677 1.00 28.89 ? 522 PHE A N 1 ATOM 2318 C CA . PHE A 1 299 ? 45.349 -3.775 10.293 1.00 30.87 ? 522 PHE A CA 1 ATOM 2319 C C . PHE A 1 299 ? 44.868 -4.142 11.683 1.00 34.68 ? 522 PHE A C 1 ATOM 2320 O O . PHE A 1 299 ? 44.166 -5.141 11.854 1.00 28.56 ? 522 PHE A O 1 ATOM 2321 C CB . PHE A 1 299 ? 44.202 -3.189 9.472 1.00 27.12 ? 522 PHE A CB 1 ATOM 2322 C CG . PHE A 1 299 ? 44.576 -2.873 8.054 1.00 29.27 ? 522 PHE A CG 1 ATOM 2323 C CD1 . PHE A 1 299 ? 44.567 -3.862 7.085 1.00 32.10 ? 522 PHE A CD1 1 ATOM 2324 C CD2 . PHE A 1 299 ? 44.954 -1.592 7.693 1.00 28.81 ? 522 PHE A CD2 1 ATOM 2325 C CE1 . PHE A 1 299 ? 44.921 -3.572 5.779 1.00 33.64 ? 522 PHE A CE1 1 ATOM 2326 C CE2 . PHE A 1 299 ? 45.309 -1.297 6.395 1.00 35.33 ? 522 PHE A CE2 1 ATOM 2327 C CZ . PHE A 1 299 ? 45.286 -2.285 5.436 1.00 38.91 ? 522 PHE A CZ 1 ATOM 2328 N N . ILE A 1 300 ? 45.247 -3.333 12.666 1.00 26.14 ? 523 ILE A N 1 ATOM 2329 C CA . ILE A 1 300 ? 44.953 -3.632 14.052 1.00 22.84 ? 523 ILE A CA 1 ATOM 2330 C C . ILE A 1 300 ? 43.890 -2.697 14.613 1.00 24.26 ? 523 ILE A C 1 ATOM 2331 O O . ILE A 1 300 ? 44.027 -1.478 14.554 1.00 24.89 ? 523 ILE A O 1 ATOM 2332 C CB . ILE A 1 300 ? 46.211 -3.520 14.925 1.00 26.47 ? 523 ILE A CB 1 ATOM 2333 C CG1 . ILE A 1 300 ? 47.277 -4.511 14.446 1.00 31.67 ? 523 ILE A CG1 1 ATOM 2334 C CG2 . ILE A 1 300 ? 45.860 -3.757 16.404 1.00 26.65 ? 523 ILE A CG2 1 ATOM 2335 C CD1 . ILE A 1 300 ? 48.549 -4.470 15.262 1.00 38.64 ? 523 ILE A CD1 1 ATOM 2336 N N . CYS A 1 301 ? 42.825 -3.282 15.141 1.00 23.11 ? 524 CYS A N 1 ATOM 2337 C CA . CYS A 1 301 ? 41.809 -2.517 15.843 1.00 21.59 ? 524 CYS A CA 1 ATOM 2338 C C . CYS A 1 301 ? 42.164 -2.673 17.301 1.00 23.98 ? 524 CYS A C 1 ATOM 2339 O O . CYS A 1 301 ? 42.209 -3.793 17.810 1.00 25.32 ? 524 CYS A O 1 ATOM 2340 C CB . CYS A 1 301 ? 40.423 -3.106 15.593 1.00 27.41 ? 524 CYS A CB 1 ATOM 2341 S SG . CYS A 1 301 ? 39.134 -2.373 16.643 1.00 26.28 ? 524 CYS A SG 1 ATOM 2342 N N . ARG A 1 302 ? 42.443 -1.559 17.969 1.00 23.36 ? 525 ARG A N 1 ATOM 2343 C CA . ARG A 1 302 ? 42.918 -1.618 19.347 1.00 18.47 ? 525 ARG A CA 1 ATOM 2344 C C . ARG A 1 302 ? 41.979 -0.820 20.238 1.00 23.18 ? 525 ARG A C 1 ATOM 2345 O O . ARG A 1 302 ? 41.633 0.314 19.927 1.00 29.46 ? 525 ARG A O 1 ATOM 2346 C CB . ARG A 1 302 ? 44.332 -1.044 19.449 1.00 22.62 ? 525 ARG A CB 1 ATOM 2347 C CG . ARG A 1 302 ? 44.840 -0.892 20.886 1.00 29.22 ? 525 ARG A CG 1 ATOM 2348 C CD . ARG A 1 302 ? 46.290 -0.389 20.914 1.00 30.85 ? 525 ARG A CD 1 ATOM 2349 N NE . ARG A 1 302 ? 47.219 -1.347 20.311 1.00 30.47 ? 525 ARG A NE 1 ATOM 2350 C CZ . ARG A 1 302 ? 48.488 -1.074 20.023 1.00 34.48 ? 525 ARG A CZ 1 ATOM 2351 N NH1 . ARG A 1 302 ? 48.987 0.128 20.291 1.00 33.02 ? 525 ARG A NH1 1 ATOM 2352 N NH2 . ARG A 1 302 ? 49.259 -1.999 19.466 1.00 34.29 ? 525 ARG A NH2 1 ATOM 2353 N N . ALA A 1 303 ? 41.572 -1.427 21.346 1.00 23.26 ? 526 ALA A N 1 ATOM 2354 C CA . ALA A 1 303 ? 40.776 -0.741 22.347 1.00 24.68 ? 526 ALA A CA 1 ATOM 2355 C C . ALA A 1 303 ? 41.612 -0.454 23.597 1.00 31.14 ? 526 ALA A C 1 ATOM 2356 O O . ALA A 1 303 ? 42.372 -1.306 24.052 1.00 30.90 ? 526 ALA A O 1 ATOM 2357 C CB . ALA A 1 303 ? 39.586 -1.587 22.719 1.00 24.44 ? 526 ALA A CB 1 ATOM 2358 N N . VAL A 1 304 ? 41.445 0.740 24.159 1.00 25.55 ? 527 VAL A N 1 ATOM 2359 C CA . VAL A 1 304 ? 42.060 1.081 25.433 1.00 26.95 ? 527 VAL A CA 1 ATOM 2360 C C . VAL A 1 304 ? 40.918 1.187 26.431 1.00 35.39 ? 527 VAL A C 1 ATOM 2361 O O . VAL A 1 304 ? 39.973 1.944 26.210 1.00 29.16 ? 527 VAL A O 1 ATOM 2362 C CB . VAL A 1 304 ? 42.851 2.415 25.372 1.00 35.56 ? 527 VAL A CB 1 ATOM 2363 C CG1 . VAL A 1 304 ? 43.277 2.851 26.765 1.00 30.66 ? 527 VAL A CG1 1 ATOM 2364 C CG2 . VAL A 1 304 ? 44.093 2.273 24.478 1.00 30.12 ? 527 VAL A CG2 1 ATOM 2365 N N . HIS A 1 305 ? 41.001 0.413 27.509 1.00 27.45 ? 528 HIS A N 1 ATOM 2366 C CA . HIS A 1 305 ? 39.924 0.327 28.485 1.00 29.47 ? 528 HIS A CA 1 ATOM 2367 C C . HIS A 1 305 ? 40.475 -0.034 29.856 1.00 31.62 ? 528 HIS A C 1 ATOM 2368 O O . HIS A 1 305 ? 41.366 -0.874 29.975 1.00 27.68 ? 528 HIS A O 1 ATOM 2369 C CB . HIS A 1 305 ? 38.903 -0.724 28.040 1.00 22.86 ? 528 HIS A CB 1 ATOM 2370 C CG . HIS A 1 305 ? 37.662 -0.762 28.880 1.00 35.16 ? 528 HIS A CG 1 ATOM 2371 N ND1 . HIS A 1 305 ? 37.586 -1.460 30.067 1.00 36.60 ? 528 HIS A ND1 1 ATOM 2372 C CD2 . HIS A 1 305 ? 36.447 -0.192 28.700 1.00 33.09 ? 528 HIS A CD2 1 ATOM 2373 C CE1 . HIS A 1 305 ? 36.377 -1.312 30.584 1.00 38.03 ? 528 HIS A CE1 1 ATOM 2374 N NE2 . HIS A 1 305 ? 35.671 -0.540 29.779 1.00 34.97 ? 528 HIS A NE2 1 ATOM 2375 N N . GLU A 1 306 ? 39.928 0.588 30.895 1.00 30.73 ? 529 GLU A N 1 ATOM 2376 C CA . GLU A 1 306 ? 40.463 0.411 32.246 1.00 31.71 ? 529 GLU A CA 1 ATOM 2377 C C . GLU A 1 306 ? 40.436 -1.034 32.734 1.00 32.24 ? 529 GLU A C 1 ATOM 2378 O O . GLU A 1 306 ? 41.224 -1.409 33.599 1.00 36.69 ? 529 GLU A O 1 ATOM 2379 C CB . GLU A 1 306 ? 39.722 1.310 33.238 1.00 34.67 ? 529 GLU A CB 1 ATOM 2380 C CG . GLU A 1 306 ? 38.231 1.131 33.234 1.00 38.62 ? 529 GLU A CG 1 ATOM 2381 C CD . GLU A 1 306 ? 37.529 2.238 33.993 1.00 53.61 ? 529 GLU A CD 1 ATOM 2382 O OE1 . GLU A 1 306 ? 36.971 3.146 33.337 1.00 48.00 ? 529 GLU A OE1 1 ATOM 2383 O OE2 . GLU A 1 306 ? 37.564 2.210 35.243 1.00 53.78 ? 529 GLU A OE2 1 ATOM 2384 N N . ALA A 1 307 ? 39.530 -1.837 32.178 1.00 27.73 ? 530 ALA A N 1 ATOM 2385 C CA . ALA A 1 307 ? 39.376 -3.232 32.580 1.00 34.25 ? 530 ALA A CA 1 ATOM 2386 C C . ALA A 1 307 ? 40.317 -4.197 31.854 1.00 36.35 ? 530 ALA A C 1 ATOM 2387 O O . ALA A 1 307 ? 40.470 -5.345 32.268 1.00 37.78 ? 530 ALA A O 1 ATOM 2388 C CB . ALA A 1 307 ? 37.933 -3.676 32.394 1.00 34.21 ? 530 ALA A CB 1 ATOM 2389 N N . ALA A 1 308 ? 40.928 -3.746 30.764 1.00 35.21 ? 531 ALA A N 1 ATOM 2390 C CA . ALA A 1 308 ? 41.849 -4.592 30.012 1.00 31.21 ? 531 ALA A CA 1 ATOM 2391 C C . ALA A 1 308 ? 43.207 -4.665 30.699 1.00 31.17 ? 531 ALA A C 1 ATOM 2392 O O . ALA A 1 308 ? 43.648 -3.703 31.318 1.00 33.53 ? 531 ALA A O 1 ATOM 2393 C CB . ALA A 1 308 ? 42.001 -4.079 28.575 1.00 31.51 ? 531 ALA A CB 1 ATOM 2394 N N . SER A 1 309 ? 43.881 -5.803 30.579 1.00 37.37 ? 532 SER A N 1 ATOM 2395 C CA . SER A 1 309 ? 45.219 -5.934 31.150 1.00 43.36 ? 532 SER A CA 1 ATOM 2396 C C . SER A 1 309 ? 46.097 -6.811 30.267 1.00 46.48 ? 532 SER A C 1 ATOM 2397 O O . SER A 1 309 ? 45.588 -7.603 29.469 1.00 44.09 ? 532 SER A O 1 ATOM 2398 C CB . SER A 1 309 ? 45.152 -6.482 32.575 1.00 50.36 ? 532 SER A CB 1 ATOM 2399 O OG . SER A 1 309 ? 44.572 -7.770 32.590 1.00 60.43 ? 532 SER A OG 1 ATOM 2400 N N . PRO A 1 310 ? 47.424 -6.699 30.426 1.00 40.32 ? 533 PRO A N 1 ATOM 2401 C CA . PRO A 1 310 ? 48.117 -5.969 31.502 1.00 47.13 ? 533 PRO A CA 1 ATOM 2402 C C . PRO A 1 310 ? 48.081 -4.430 31.458 1.00 55.57 ? 533 PRO A C 1 ATOM 2403 O O . PRO A 1 310 ? 48.132 -3.800 32.518 1.00 69.06 ? 533 PRO A O 1 ATOM 2404 C CB . PRO A 1 310 ? 49.565 -6.455 31.372 1.00 52.87 ? 533 PRO A CB 1 ATOM 2405 C CG . PRO A 1 310 ? 49.707 -6.858 29.943 1.00 48.34 ? 533 PRO A CG 1 ATOM 2406 C CD . PRO A 1 310 ? 48.361 -7.356 29.497 1.00 36.73 ? 533 PRO A CD 1 ATOM 2407 N N . SER A 1 311 ? 48.007 -3.836 30.274 1.00 40.23 ? 534 SER A N 1 ATOM 2408 C CA . SER A 1 311 ? 48.206 -2.394 30.146 1.00 35.14 ? 534 SER A CA 1 ATOM 2409 C C . SER A 1 311 ? 47.006 -1.654 29.571 1.00 30.25 ? 534 SER A C 1 ATOM 2410 O O . SER A 1 311 ? 47.157 -0.757 28.722 1.00 30.34 ? 534 SER A O 1 ATOM 2411 C CB . SER A 1 311 ? 49.438 -2.113 29.293 1.00 44.32 ? 534 SER A CB 1 ATOM 2412 O OG . SER A 1 311 ? 50.606 -2.586 29.940 1.00 49.83 ? 534 SER A OG 1 ATOM 2413 N N . GLN A 1 312 ? 45.821 -2.009 30.055 1.00 28.54 ? 535 GLN A N 1 ATOM 2414 C CA . GLN A 1 312 ? 44.584 -1.333 29.651 1.00 28.08 ? 535 GLN A CA 1 ATOM 2415 C C . GLN A 1 312 ? 44.342 -1.424 28.153 1.00 29.75 ? 535 GLN A C 1 ATOM 2416 O O . GLN A 1 312 ? 43.691 -0.557 27.567 1.00 32.45 ? 535 GLN A O 1 ATOM 2417 C CB . GLN A 1 312 ? 44.589 0.130 30.087 1.00 28.99 ? 535 GLN A CB 1 ATOM 2418 C CG . GLN A 1 312 ? 44.502 0.335 31.595 1.00 31.57 ? 535 GLN A CG 1 ATOM 2419 C CD . GLN A 1 312 ? 45.850 0.182 32.265 1.00 38.94 ? 535 GLN A CD 1 ATOM 2420 O OE1 . GLN A 1 312 ? 46.834 0.782 31.840 1.00 41.14 ? 535 GLN A OE1 1 ATOM 2421 N NE2 . GLN A 1 312 ? 45.905 -0.630 33.306 1.00 46.61 ? 535 GLN A NE2 1 ATOM 2422 N N . THR A 1 313 ? 44.845 -2.490 27.539 1.00 27.33 ? 536 THR A N 1 ATOM 2423 C CA . THR A 1 313 ? 44.774 -2.619 26.087 1.00 26.89 ? 536 THR A CA 1 ATOM 2424 C C . THR A 1 313 ? 44.368 -4.018 25.643 1.00 27.23 ? 536 THR A C 1 ATOM 2425 O O . THR A 1 313 ? 44.837 -5.019 26.188 1.00 26.47 ? 536 THR A O 1 ATOM 2426 C CB . THR A 1 313 ? 46.138 -2.267 25.451 1.00 36.95 ? 536 THR A CB 1 ATOM 2427 O OG1 . THR A 1 313 ? 46.489 -0.924 25.802 1.00 42.43 ? 536 THR A OG1 1 ATOM 2428 C CG2 . THR A 1 313 ? 46.083 -2.387 23.937 1.00 34.79 ? 536 THR A CG2 1 ATOM 2429 N N . VAL A 1 314 ? 43.489 -4.075 24.650 1.00 27.03 ? 537 VAL A N 1 ATOM 2430 C CA . VAL A 1 314 ? 43.127 -5.326 23.999 1.00 24.63 ? 537 VAL A CA 1 ATOM 2431 C C . VAL A 1 314 ? 42.931 -4.999 22.519 1.00 30.99 ? 537 VAL A C 1 ATOM 2432 O O . VAL A 1 314 ? 42.390 -3.945 22.190 1.00 26.90 ? 537 VAL A O 1 ATOM 2433 C CB . VAL A 1 314 ? 41.859 -5.944 24.619 1.00 33.41 ? 537 VAL A CB 1 ATOM 2434 C CG1 . VAL A 1 314 ? 40.703 -4.972 24.532 1.00 38.19 ? 537 VAL A CG1 1 ATOM 2435 C CG2 . VAL A 1 314 ? 41.518 -7.287 23.954 1.00 31.27 ? 537 VAL A CG2 1 ATOM 2436 N N . GLN A 1 315 ? 43.398 -5.876 21.633 1.00 22.61 ? 538 GLN A N 1 ATOM 2437 C CA . GLN A 1 315 ? 43.372 -5.588 20.200 1.00 22.80 ? 538 GLN A CA 1 ATOM 2438 C C . GLN A 1 315 ? 43.142 -6.846 19.364 1.00 24.48 ? 538 GLN A C 1 ATOM 2439 O O . GLN A 1 315 ? 43.306 -7.977 19.841 1.00 23.16 ? 538 GLN A O 1 ATOM 2440 C CB . GLN A 1 315 ? 44.685 -4.946 19.761 1.00 21.78 ? 538 GLN A CB 1 ATOM 2441 C CG . GLN A 1 315 ? 45.857 -5.924 19.888 1.00 31.36 ? 538 GLN A CG 1 ATOM 2442 C CD . GLN A 1 315 ? 47.199 -5.316 19.547 1.00 36.38 ? 538 GLN A CD 1 ATOM 2443 O OE1 . GLN A 1 315 ? 47.367 -4.093 19.553 1.00 31.61 ? 538 GLN A OE1 1 ATOM 2444 N NE2 . GLN A 1 315 ? 48.178 -6.177 19.261 1.00 34.11 ? 538 GLN A NE2 1 ATOM 2445 N N . ARG A 1 316 ? 42.765 -6.631 18.106 1.00 22.50 ? 539 ARG A N 1 ATOM 2446 C CA . ARG A 1 316 ? 42.568 -7.725 17.159 1.00 20.82 ? 539 ARG A CA 1 ATOM 2447 C C . ARG A 1 316 ? 42.953 -7.237 15.779 1.00 26.77 ? 539 ARG A C 1 ATOM 2448 O O . ARG A 1 316 ? 42.504 -6.178 15.336 1.00 26.83 ? 539 ARG A O 1 ATOM 2449 C CB . ARG A 1 316 ? 41.111 -8.199 17.164 1.00 27.94 ? 539 ARG A CB 1 ATOM 2450 C CG . ARG A 1 316 ? 40.798 -9.348 16.203 1.00 23.49 ? 539 ARG A CG 1 ATOM 2451 C CD . ARG A 1 316 ? 41.504 -10.641 16.582 1.00 30.95 ? 539 ARG A CD 1 ATOM 2452 N NE . ARG A 1 316 ? 41.027 -11.204 17.842 1.00 36.74 ? 539 ARG A NE 1 ATOM 2453 C CZ . ARG A 1 316 ? 40.235 -12.271 17.946 1.00 40.95 ? 539 ARG A CZ 1 ATOM 2454 N NH1 . ARG A 1 316 ? 39.826 -12.917 16.865 1.00 29.15 ? 539 ARG A NH1 1 ATOM 2455 N NH2 . ARG A 1 316 ? 39.860 -12.704 19.140 1.00 45.27 ? 539 ARG A NH2 1 ATOM 2456 N N . ALA A 1 317 ? 43.803 -8.003 15.104 1.00 22.02 ? 540 ALA A N 1 ATOM 2457 C CA . ALA A 1 317 ? 44.170 -7.683 13.740 1.00 26.51 ? 540 ALA A CA 1 ATOM 2458 C C . ALA A 1 317 ? 43.217 -8.351 12.755 1.00 22.78 ? 540 ALA A C 1 ATOM 2459 O O . ALA A 1 317 ? 42.575 -9.366 13.054 1.00 26.20 ? 540 ALA A O 1 ATOM 2460 C CB . ALA A 1 317 ? 45.603 -8.114 13.452 1.00 25.01 ? 540 ALA A CB 1 ATOM 2461 N N . VAL A 1 318 ? 43.149 -7.773 11.570 1.00 24.48 ? 541 VAL A N 1 ATOM 2462 C CA . VAL A 1 318 ? 42.385 -8.341 10.481 1.00 28.44 ? 541 VAL A CA 1 ATOM 2463 C C . VAL A 1 318 ? 43.169 -8.118 9.192 1.00 27.00 ? 541 VAL A C 1 ATOM 2464 O O . VAL A 1 318 ? 43.908 -7.141 9.061 1.00 27.56 ? 541 VAL A O 1 ATOM 2465 C CB . VAL A 1 318 ? 40.983 -7.697 10.387 1.00 31.17 ? 541 VAL A CB 1 ATOM 2466 C CG1 . VAL A 1 318 ? 41.093 -6.223 10.007 1.00 26.29 ? 541 VAL A CG1 1 ATOM 2467 C CG2 . VAL A 1 318 ? 40.094 -8.459 9.402 1.00 29.92 ? 541 VAL A CG2 1 ATOM 2468 N N . SER A 1 319 ? 43.037 -9.050 8.260 1.00 25.60 ? 542 SER A N 1 ATOM 2469 C CA . SER A 1 319 ? 43.670 -8.914 6.955 1.00 24.24 ? 542 SER A CA 1 ATOM 2470 C C . SER A 1 319 ? 42.602 -8.928 5.872 1.00 29.00 ? 542 SER A C 1 ATOM 2471 O O . SER A 1 319 ? 41.559 -9.575 6.017 1.00 33.75 ? 542 SER A O 1 ATOM 2472 C CB . SER A 1 319 ? 44.654 -10.060 6.708 1.00 31.21 ? 542 SER A CB 1 ATOM 2473 O OG . SER A 1 319 ? 45.648 -10.119 7.720 1.00 30.93 ? 542 SER A OG 1 ATOM 2474 N N . VAL A 1 320 ? 42.876 -8.221 4.785 1.00 30.43 ? 543 VAL A N 1 ATOM 2475 C CA . VAL A 1 320 ? 41.975 -8.182 3.641 1.00 38.91 ? 543 VAL A CA 1 ATOM 2476 C C . VAL A 1 320 ? 41.910 -9.535 2.931 1.00 44.92 ? 543 VAL A C 1 ATOM 2477 O O . VAL A 1 320 ? 40.842 -9.975 2.506 1.00 47.62 ? 543 VAL A O 1 ATOM 2478 C CB . VAL A 1 320 ? 42.405 -7.089 2.650 1.00 35.52 ? 543 VAL A CB 1 ATOM 2479 C CG1 . VAL A 1 320 ? 41.582 -7.163 1.345 1.00 36.76 ? 543 VAL A CG1 1 ATOM 2480 C CG2 . VAL A 1 320 ? 42.277 -5.715 3.295 1.00 33.00 ? 543 VAL A CG2 1 ATOM 2481 N N . ASN A 1 321 ? 43.054 -10.201 2.818 1.00 45.39 ? 544 ASN A N 1 ATOM 2482 C CA . ASN A 1 321 ? 43.119 -11.471 2.105 1.00 55.41 ? 544 ASN A CA 1 ATOM 2483 C C . ASN A 1 321 ? 43.547 -12.641 2.987 1.00 72.67 ? 544 ASN A C 1 ATOM 2484 O O . ASN A 1 321 ? 44.246 -12.452 3.983 1.00 73.85 ? 544 ASN A O 1 ATOM 2485 C CB . ASN A 1 321 ? 44.039 -11.348 0.887 1.00 60.13 ? 544 ASN A CB 1 ATOM 2486 C CG . ASN A 1 321 ? 43.429 -10.515 -0.218 1.00 63.60 ? 544 ASN A CG 1 ATOM 2487 O OD1 . ASN A 1 321 ? 42.209 -10.471 -0.372 1.00 69.56 ? 544 ASN A OD1 1 ATOM 2488 N ND2 . ASN A 1 321 ? 44.274 -9.852 -1.000 1.00 65.50 ? 544 ASN A ND2 1 ATOM 2489 N N . PRO A 1 322 ? 43.118 -13.858 2.620 1.00 85.27 ? 545 PRO A N 1 ATOM 2490 C CA . PRO A 1 322 ? 43.461 -15.095 3.334 1.00 90.46 ? 545 PRO A CA 1 ATOM 2491 C C . PRO A 1 322 ? 44.969 -15.282 3.491 1.00 91.38 ? 545 PRO A C 1 ATOM 2492 O O . PRO A 1 322 ? 45.394 -16.077 4.332 1.00 88.81 ? 545 PRO A O 1 ATOM 2493 C CB . PRO A 1 322 ? 42.889 -16.187 2.427 1.00 87.95 ? 545 PRO A CB 1 ATOM 2494 C CG . PRO A 1 322 ? 41.764 -15.526 1.713 1.00 84.92 ? 545 PRO A CG 1 ATOM 2495 C CD . PRO A 1 322 ? 42.196 -14.106 1.496 1.00 85.22 ? 545 PRO A CD 1 ATOM 2496 N N . CYS B 1 1 ? -0.121 -17.626 61.160 1.00 70.01 ? 225 CYS B N 1 ATOM 2497 C CA . CYS B 1 1 ? -1.523 -17.232 61.222 1.00 68.78 ? 225 CYS B CA 1 ATOM 2498 C C . CYS B 1 1 ? -1.843 -16.249 60.103 1.00 65.01 ? 225 CYS B C 1 ATOM 2499 O O . CYS B 1 1 ? -1.273 -15.159 60.041 1.00 58.91 ? 225 CYS B O 1 ATOM 2500 C CB . CYS B 1 1 ? -1.848 -16.613 62.583 1.00 72.21 ? 225 CYS B CB 1 ATOM 2501 S SG . CYS B 1 1 ? -1.429 -17.663 63.997 1.00 294.87 ? 225 CYS B SG 1 ATOM 2502 N N . SER B 1 2 ? -2.761 -16.643 59.225 1.00 64.36 ? 226 SER B N 1 ATOM 2503 C CA . SER B 1 2 ? -3.070 -15.874 58.019 1.00 53.87 ? 226 SER B CA 1 ATOM 2504 C C . SER B 1 2 ? -3.437 -14.419 58.304 1.00 52.79 ? 226 SER B C 1 ATOM 2505 O O . SER B 1 2 ? -3.093 -13.522 57.528 1.00 46.40 ? 226 SER B O 1 ATOM 2506 C CB . SER B 1 2 ? -4.190 -16.550 57.223 1.00 50.68 ? 226 SER B CB 1 ATOM 2507 O OG . SER B 1 2 ? -3.832 -17.873 56.864 1.00 48.18 ? 226 SER B OG 1 ATOM 2508 N N . ARG B 1 3 ? -4.136 -14.181 59.411 1.00 52.63 ? 227 ARG B N 1 ATOM 2509 C CA . ARG B 1 3 ? -4.599 -12.834 59.720 1.00 55.62 ? 227 ARG B CA 1 ATOM 2510 C C . ARG B 1 3 ? -3.420 -11.891 59.956 1.00 52.04 ? 227 ARG B C 1 ATOM 2511 O O . ARG B 1 3 ? -3.569 -10.669 59.880 1.00 56.94 ? 227 ARG B O 1 ATOM 2512 C CB . ARG B 1 3 ? -5.537 -12.838 60.930 1.00 60.71 ? 227 ARG B CB 1 ATOM 2513 C CG . ARG B 1 3 ? -4.838 -13.076 62.253 1.00 67.15 ? 227 ARG B CG 1 ATOM 2514 C CD . ARG B 1 3 ? -5.838 -13.307 63.378 1.00 76.81 ? 227 ARG B CD 1 ATOM 2515 N NE . ARG B 1 3 ? -5.162 -13.618 64.635 1.00 81.70 ? 227 ARG B NE 1 ATOM 2516 C CZ . ARG B 1 3 ? -4.703 -14.823 64.961 1.00 76.34 ? 227 ARG B CZ 1 ATOM 2517 N NH1 . ARG B 1 3 ? -4.848 -15.843 64.121 1.00 59.31 ? 227 ARG B NH1 1 ATOM 2518 N NH2 . ARG B 1 3 ? -4.096 -15.008 66.128 1.00 80.67 ? 227 ARG B NH2 1 ATOM 2519 N N . ASP B 1 4 ? -2.254 -12.466 60.237 1.00 79.76 ? 228 ASP B N 1 ATOM 2520 C CA . ASP B 1 4 ? -1.050 -11.685 60.506 1.00 75.55 ? 228 ASP B CA 1 ATOM 2521 C C . ASP B 1 4 ? -0.169 -11.541 59.267 1.00 69.41 ? 228 ASP B C 1 ATOM 2522 O O . ASP B 1 4 ? 0.832 -10.816 59.288 1.00 60.59 ? 228 ASP B O 1 ATOM 2523 C CB . ASP B 1 4 ? -0.244 -12.311 61.646 1.00 86.42 ? 228 ASP B CB 1 ATOM 2524 C CG . ASP B 1 4 ? -0.981 -12.278 62.968 1.00 91.82 ? 228 ASP B CG 1 ATOM 2525 O OD1 . ASP B 1 4 ? -1.921 -11.467 63.105 1.00 90.01 ? 228 ASP B OD1 1 ATOM 2526 O OD2 . ASP B 1 4 ? -0.620 -13.062 63.869 1.00 94.28 ? 228 ASP B OD2 1 ATOM 2527 N N . PHE B 1 5 ? -0.532 -12.233 58.191 1.00 66.97 ? 229 PHE B N 1 ATOM 2528 C CA . PHE B 1 5 ? 0.231 -12.120 56.954 1.00 73.25 ? 229 PHE B CA 1 ATOM 2529 C C . PHE B 1 5 ? 0.372 -10.653 56.563 1.00 70.36 ? 229 PHE B C 1 ATOM 2530 O O . PHE B 1 5 ? -0.617 -9.920 56.483 1.00 66.64 ? 229 PHE B O 1 ATOM 2531 C CB . PHE B 1 5 ? -0.418 -12.909 55.816 1.00 76.49 ? 229 PHE B CB 1 ATOM 2532 C CG . PHE B 1 5 ? 0.167 -12.602 54.466 1.00 85.04 ? 229 PHE B CG 1 ATOM 2533 C CD1 . PHE B 1 5 ? 1.375 -13.155 54.077 1.00 86.35 ? 229 PHE B CD1 1 ATOM 2534 C CD2 . PHE B 1 5 ? -0.484 -11.747 53.591 1.00 85.86 ? 229 PHE B CD2 1 ATOM 2535 C CE1 . PHE B 1 5 ? 1.918 -12.869 52.839 1.00 84.35 ? 229 PHE B CE1 1 ATOM 2536 C CE2 . PHE B 1 5 ? 0.055 -11.457 52.352 1.00 85.86 ? 229 PHE B CE2 1 ATOM 2537 C CZ . PHE B 1 5 ? 1.257 -12.018 51.976 1.00 82.87 ? 229 PHE B CZ 1 ATOM 2538 N N . THR B 1 6 ? 1.607 -10.229 56.329 1.00 67.23 ? 230 THR B N 1 ATOM 2539 C CA . THR B 1 6 ? 1.885 -8.841 55.986 1.00 65.19 ? 230 THR B CA 1 ATOM 2540 C C . THR B 1 6 ? 2.569 -8.752 54.626 1.00 61.57 ? 230 THR B C 1 ATOM 2541 O O . THR B 1 6 ? 3.689 -9.234 54.455 1.00 59.13 ? 230 THR B O 1 ATOM 2542 C CB . THR B 1 6 ? 2.761 -8.171 57.062 1.00 73.84 ? 230 THR B CB 1 ATOM 2543 O OG1 . THR B 1 6 ? 2.075 -8.200 58.323 1.00 71.06 ? 230 THR B OG1 1 ATOM 2544 C CG2 . THR B 1 6 ? 3.070 -6.728 56.681 1.00 74.95 ? 230 THR B CG2 1 ATOM 2545 N N . PRO B 1 7 ? 1.883 -8.149 53.647 1.00 69.52 ? 231 PRO B N 1 ATOM 2546 C CA . PRO B 1 7 ? 2.428 -7.997 52.294 1.00 69.54 ? 231 PRO B CA 1 ATOM 2547 C C . PRO B 1 7 ? 3.505 -6.920 52.264 1.00 62.47 ? 231 PRO B C 1 ATOM 2548 O O . PRO B 1 7 ? 3.426 -5.954 53.023 1.00 64.48 ? 231 PRO B O 1 ATOM 2549 C CB . PRO B 1 7 ? 1.214 -7.542 51.471 1.00 73.47 ? 231 PRO B CB 1 ATOM 2550 C CG . PRO B 1 7 ? 0.012 -7.773 52.354 1.00 77.94 ? 231 PRO B CG 1 ATOM 2551 C CD . PRO B 1 7 ? 0.512 -7.628 53.749 1.00 76.14 ? 231 PRO B CD 1 ATOM 2552 N N . PRO B 1 8 ? 4.509 -7.078 51.393 1.00 63.01 ? 232 PRO B N 1 ATOM 2553 C CA . PRO B 1 8 ? 5.531 -6.034 51.318 1.00 61.75 ? 232 PRO B CA 1 ATOM 2554 C C . PRO B 1 8 ? 4.955 -4.793 50.658 1.00 57.95 ? 232 PRO B C 1 ATOM 2555 O O . PRO B 1 8 ? 4.090 -4.907 49.788 1.00 58.48 ? 232 PRO B O 1 ATOM 2556 C CB . PRO B 1 8 ? 6.601 -6.648 50.401 1.00 60.12 ? 232 PRO B CB 1 ATOM 2557 C CG . PRO B 1 8 ? 6.216 -8.095 50.216 1.00 63.71 ? 232 PRO B CG 1 ATOM 2558 C CD . PRO B 1 8 ? 4.741 -8.154 50.418 1.00 58.53 ? 232 PRO B CD 1 ATOM 2559 N N . THR B 1 9 ? 5.412 -3.621 51.080 1.00 51.89 ? 233 THR B N 1 ATOM 2560 C CA . THR B 1 9 ? 5.208 -2.414 50.292 1.00 52.54 ? 233 THR B CA 1 ATOM 2561 C C . THR B 1 9 ? 6.575 -1.905 49.830 1.00 51.65 ? 233 THR B C 1 ATOM 2562 O O . THR B 1 9 ? 7.599 -2.207 50.443 1.00 44.10 ? 233 THR B O 1 ATOM 2563 C CB . THR B 1 9 ? 4.441 -1.320 51.062 1.00 53.07 ? 233 THR B CB 1 ATOM 2564 O OG1 . THR B 1 9 ? 5.244 -0.833 52.142 1.00 53.40 ? 233 THR B OG1 1 ATOM 2565 C CG2 . THR B 1 9 ? 3.122 -1.870 51.607 1.00 53.16 ? 233 THR B CG2 1 ATOM 2566 N N . VAL B 1 10 ? 6.585 -1.149 48.739 1.00 45.09 ? 234 VAL B N 1 ATOM 2567 C CA . VAL B 1 10 ? 7.834 -0.736 48.111 1.00 40.36 ? 234 VAL B CA 1 ATOM 2568 C C . VAL B 1 10 ? 7.920 0.776 47.985 1.00 42.48 ? 234 VAL B C 1 ATOM 2569 O O . VAL B 1 10 ? 6.972 1.441 47.561 1.00 43.17 ? 234 VAL B O 1 ATOM 2570 C CB . VAL B 1 10 ? 7.997 -1.381 46.722 1.00 44.55 ? 234 VAL B CB 1 ATOM 2571 C CG1 . VAL B 1 10 ? 9.304 -0.945 46.081 1.00 48.45 ? 234 VAL B CG1 1 ATOM 2572 C CG2 . VAL B 1 10 ? 7.929 -2.894 46.840 1.00 51.35 ? 234 VAL B CG2 1 ATOM 2573 N N . LYS B 1 11 ? 9.079 1.304 48.354 1.00 39.48 ? 235 LYS B N 1 ATOM 2574 C CA . LYS B 1 11 ? 9.311 2.731 48.399 1.00 36.29 ? 235 LYS B CA 1 ATOM 2575 C C . LYS B 1 11 ? 10.738 2.931 47.921 1.00 39.04 ? 235 LYS B C 1 ATOM 2576 O O . LYS B 1 11 ? 11.607 2.125 48.243 1.00 37.88 ? 235 LYS B O 1 ATOM 2577 C CB . LYS B 1 11 ? 9.150 3.200 49.844 1.00 43.41 ? 235 LYS B CB 1 ATOM 2578 C CG . LYS B 1 11 ? 9.692 4.564 50.163 1.00 48.67 ? 235 LYS B CG 1 ATOM 2579 C CD . LYS B 1 11 ? 9.390 4.924 51.618 1.00 49.70 ? 235 LYS B CD 1 ATOM 2580 C CE . LYS B 1 11 ? 10.048 3.944 52.582 1.00 56.91 ? 235 LYS B CE 1 ATOM 2581 N NZ . LYS B 1 11 ? 9.866 4.345 54.009 1.00 68.45 ? 235 LYS B NZ 1 ATOM 2582 N N . ILE B 1 12 ? 10.987 3.969 47.128 1.00 33.44 ? 236 ILE B N 1 ATOM 2583 C CA . ILE B 1 12 ? 12.363 4.262 46.711 1.00 33.96 ? 236 ILE B CA 1 ATOM 2584 C C . ILE B 1 12 ? 12.818 5.599 47.269 1.00 35.48 ? 236 ILE B C 1 ATOM 2585 O O . ILE B 1 12 ? 12.105 6.600 47.158 1.00 32.71 ? 236 ILE B O 1 ATOM 2586 C CB . ILE B 1 12 ? 12.526 4.295 45.172 1.00 32.04 ? 236 ILE B CB 1 ATOM 2587 C CG1 . ILE B 1 12 ? 12.072 2.972 44.553 1.00 33.82 ? 236 ILE B CG1 1 ATOM 2588 C CG2 . ILE B 1 12 ? 13.976 4.616 44.795 1.00 30.31 ? 236 ILE B CG2 1 ATOM 2589 C CD1 . ILE B 1 12 ? 12.178 2.934 43.034 1.00 33.10 ? 236 ILE B CD1 1 ATOM 2590 N N . LEU B 1 13 ? 14.001 5.606 47.875 1.00 29.31 ? 237 LEU B N 1 ATOM 2591 C CA . LEU B 1 13 ? 14.621 6.842 48.328 1.00 29.51 ? 237 LEU B CA 1 ATOM 2592 C C . LEU B 1 13 ? 15.798 7.133 47.418 1.00 32.26 ? 237 LEU B C 1 ATOM 2593 O O . LEU B 1 13 ? 16.312 6.233 46.746 1.00 32.89 ? 237 LEU B O 1 ATOM 2594 C CB . LEU B 1 13 ? 15.117 6.712 49.768 1.00 29.23 ? 237 LEU B CB 1 ATOM 2595 C CG . LEU B 1 13 ? 14.092 6.333 50.834 1.00 36.37 ? 237 LEU B CG 1 ATOM 2596 C CD1 . LEU B 1 13 ? 14.759 6.327 52.213 1.00 33.46 ? 237 LEU B CD1 1 ATOM 2597 C CD2 . LEU B 1 13 ? 12.907 7.282 50.804 1.00 34.58 ? 237 LEU B CD2 1 ATOM 2598 N N . GLN B 1 14 ? 16.242 8.381 47.400 1.00 33.49 ? 238 GLN B N 1 ATOM 2599 C CA . GLN B 1 14 ? 17.372 8.734 46.557 1.00 34.36 ? 238 GLN B CA 1 ATOM 2600 C C . GLN B 1 14 ? 18.393 9.582 47.289 1.00 29.22 ? 238 GLN B C 1 ATOM 2601 O O . GLN B 1 14 ? 18.056 10.301 48.234 1.00 31.04 ? 238 GLN B O 1 ATOM 2602 C CB . GLN B 1 14 ? 16.890 9.490 45.326 1.00 29.92 ? 238 GLN B CB 1 ATOM 2603 C CG . GLN B 1 14 ? 16.465 10.918 45.628 1.00 39.72 ? 238 GLN B CG 1 ATOM 2604 C CD . GLN B 1 14 ? 16.246 11.745 44.374 1.00 49.51 ? 238 GLN B CD 1 ATOM 2605 O OE1 . GLN B 1 14 ? 15.292 11.524 43.644 1.00 46.10 ? 238 GLN B OE1 1 ATOM 2606 N NE2 . GLN B 1 14 ? 17.131 12.709 44.125 1.00 56.31 ? 238 GLN B NE2 1 ATOM 2607 N N . SER B 1 15 ? 19.642 9.493 46.835 1.00 26.45 ? 239 SER B N 1 ATOM 2608 C CA . SER B 1 15 ? 20.694 10.404 47.259 1.00 29.47 ? 239 SER B CA 1 ATOM 2609 C C . SER B 1 15 ? 20.168 11.829 47.176 1.00 28.82 ? 239 SER B C 1 ATOM 2610 O O . SER B 1 15 ? 19.577 12.211 46.170 1.00 27.21 ? 239 SER B O 1 ATOM 2611 C CB . SER B 1 15 ? 21.902 10.276 46.318 1.00 25.28 ? 239 SER B CB 1 ATOM 2612 O OG . SER B 1 15 ? 22.435 8.973 46.353 1.00 37.38 ? 239 SER B OG 1 ATOM 2613 N N . SER B 1 16 ? 20.388 12.616 48.223 1.00 25.27 ? 240 SER B N 1 ATOM 2614 C CA . SER B 1 16 ? 19.945 14.010 48.243 1.00 21.99 ? 240 SER B CA 1 ATOM 2615 C C . SER B 1 16 ? 20.901 14.921 47.482 1.00 32.01 ? 240 SER B C 1 ATOM 2616 O O . SER B 1 16 ? 22.085 14.616 47.351 1.00 27.07 ? 240 SER B O 1 ATOM 2617 C CB . SER B 1 16 ? 19.846 14.500 49.691 1.00 25.03 ? 240 SER B CB 1 ATOM 2618 O OG . SER B 1 16 ? 18.738 13.900 50.338 1.00 36.86 ? 240 SER B OG 1 ATOM 2619 N N . CYS B 1 17 ? 20.395 16.052 46.995 1.00 25.41 ? 241 CYS B N 1 ATOM 2620 C CA . CYS B 1 17 ? 21.288 17.081 46.492 1.00 24.65 ? 241 CYS B CA 1 ATOM 2621 C C . CYS B 1 17 ? 21.935 17.769 47.678 1.00 30.40 ? 241 CYS B C 1 ATOM 2622 O O . CYS B 1 17 ? 21.475 17.622 48.814 1.00 23.36 ? 241 CYS B O 1 ATOM 2623 C CB . CYS B 1 17 ? 20.545 18.085 45.618 1.00 27.06 ? 241 CYS B CB 1 ATOM 2624 S SG . CYS B 1 17 ? 20.127 17.403 43.994 1.00 28.58 ? 241 CYS B SG 1 ATOM 2625 N N . ASP B 1 18 ? 23.009 18.505 47.418 1.00 29.35 ? 242 ASP B N 1 ATOM 2626 C CA . ASP B 1 18 ? 23.705 19.222 48.480 1.00 28.80 ? 242 ASP B CA 1 ATOM 2627 C C . ASP B 1 18 ? 22.968 20.495 48.875 1.00 28.97 ? 242 ASP B C 1 ATOM 2628 O O . ASP B 1 18 ? 21.874 20.775 48.377 1.00 29.15 ? 242 ASP B O 1 ATOM 2629 C CB . ASP B 1 18 ? 25.150 19.531 48.072 1.00 28.65 ? 242 ASP B CB 1 ATOM 2630 C CG . ASP B 1 18 ? 25.247 20.539 46.931 1.00 31.77 ? 242 ASP B CG 1 ATOM 2631 O OD1 . ASP B 1 18 ? 24.281 21.304 46.682 1.00 26.64 ? 242 ASP B OD1 1 ATOM 2632 O OD2 . ASP B 1 18 ? 26.314 20.566 46.280 1.00 33.48 ? 242 ASP B OD2 1 ATOM 2633 N N . GLY B 1 19 ? 23.581 21.274 49.761 1.00 29.58 ? 243 GLY B N 1 ATOM 2634 C CA . GLY B 1 19 ? 22.949 22.466 50.299 1.00 28.33 ? 243 GLY B CA 1 ATOM 2635 C C . GLY B 1 19 ? 22.778 23.557 49.260 1.00 30.40 ? 243 GLY B C 1 ATOM 2636 O O . GLY B 1 19 ? 22.083 24.546 49.489 1.00 31.56 ? 243 GLY B O 1 ATOM 2637 N N . GLY B 1 20 ? 23.417 23.378 48.111 1.00 26.90 ? 244 GLY B N 1 ATOM 2638 C CA . GLY B 1 20 ? 23.282 24.327 47.019 1.00 27.22 ? 244 GLY B CA 1 ATOM 2639 C C . GLY B 1 20 ? 22.220 23.914 46.019 1.00 32.94 ? 244 GLY B C 1 ATOM 2640 O O . GLY B 1 20 ? 21.928 24.643 45.077 1.00 29.11 ? 244 GLY B O 1 ATOM 2641 N N . GLY B 1 21 ? 21.630 22.743 46.230 1.00 26.70 ? 245 GLY B N 1 ATOM 2642 C CA . GLY B 1 21 ? 20.671 22.192 45.288 1.00 29.80 ? 245 GLY B CA 1 ATOM 2643 C C . GLY B 1 21 ? 21.307 21.436 44.127 1.00 30.58 ? 245 GLY B C 1 ATOM 2644 O O . GLY B 1 21 ? 20.658 21.199 43.105 1.00 25.38 ? 245 GLY B O 1 ATOM 2645 N N . HIS B 1 22 ? 22.572 21.051 44.277 1.00 25.67 ? 246 HIS B N 1 ATOM 2646 C CA . HIS B 1 22 ? 23.306 20.394 43.187 1.00 27.08 ? 246 HIS B CA 1 ATOM 2647 C C . HIS B 1 22 ? 23.384 18.890 43.378 1.00 29.77 ? 246 HIS B C 1 ATOM 2648 O O . HIS B 1 22 ? 23.549 18.405 44.495 1.00 27.96 ? 246 HIS B O 1 ATOM 2649 C CB . HIS B 1 22 ? 24.732 20.944 43.091 1.00 24.43 ? 246 HIS B CB 1 ATOM 2650 C CG . HIS B 1 22 ? 24.801 22.438 43.041 1.00 30.41 ? 246 HIS B CG 1 ATOM 2651 N ND1 . HIS B 1 22 ? 24.326 23.168 41.974 1.00 33.98 ? 246 HIS B ND1 1 ATOM 2652 C CD2 . HIS B 1 22 ? 25.292 23.339 43.925 1.00 35.30 ? 246 HIS B CD2 1 ATOM 2653 C CE1 . HIS B 1 22 ? 24.518 24.455 42.203 1.00 33.48 ? 246 HIS B CE1 1 ATOM 2654 N NE2 . HIS B 1 22 ? 25.101 24.586 43.380 1.00 35.50 ? 246 HIS B NE2 1 ATOM 2655 N N . PHE B 1 23 ? 23.305 18.152 42.275 1.00 25.29 ? 247 PHE B N 1 ATOM 2656 C CA . PHE B 1 23 ? 23.464 16.703 42.318 1.00 25.57 ? 247 PHE B CA 1 ATOM 2657 C C . PHE B 1 23 ? 24.871 16.257 42.723 1.00 25.63 ? 247 PHE B C 1 ATOM 2658 O O . PHE B 1 23 ? 25.871 16.874 42.339 1.00 29.10 ? 247 PHE B O 1 ATOM 2659 C CB . PHE B 1 23 ? 23.124 16.099 40.949 1.00 27.99 ? 247 PHE B CB 1 ATOM 2660 C CG . PHE B 1 23 ? 21.678 16.220 40.583 1.00 31.56 ? 247 PHE B CG 1 ATOM 2661 C CD1 . PHE B 1 23 ? 21.261 17.147 39.650 1.00 38.64 ? 247 PHE B CD1 1 ATOM 2662 C CD2 . PHE B 1 23 ? 20.733 15.419 41.194 1.00 31.57 ? 247 PHE B CD2 1 ATOM 2663 C CE1 . PHE B 1 23 ? 19.923 17.266 39.319 1.00 47.35 ? 247 PHE B CE1 1 ATOM 2664 C CE2 . PHE B 1 23 ? 19.395 15.531 40.868 1.00 33.24 ? 247 PHE B CE2 1 ATOM 2665 C CZ . PHE B 1 23 ? 18.988 16.456 39.930 1.00 43.74 ? 247 PHE B CZ 1 ATOM 2666 N N . PRO B 1 24 ? 24.948 15.165 43.489 1.00 28.34 ? 248 PRO B N 1 ATOM 2667 C CA . PRO B 1 24 ? 26.214 14.464 43.707 1.00 23.19 ? 248 PRO B CA 1 ATOM 2668 C C . PRO B 1 24 ? 26.666 13.854 42.385 1.00 29.07 ? 248 PRO B C 1 ATOM 2669 O O . PRO B 1 24 ? 25.843 13.735 41.472 1.00 25.92 ? 248 PRO B O 1 ATOM 2670 C CB . PRO B 1 24 ? 25.845 13.332 44.675 1.00 30.16 ? 248 PRO B CB 1 ATOM 2671 C CG . PRO B 1 24 ? 24.399 13.493 44.989 1.00 29.56 ? 248 PRO B CG 1 ATOM 2672 C CD . PRO B 1 24 ? 23.790 14.419 44.006 1.00 27.46 ? 248 PRO B CD 1 ATOM 2673 N N . PRO B 1 25 ? 27.946 13.467 42.286 1.00 32.49 ? 249 PRO B N 1 ATOM 2674 C CA . PRO B 1 25 ? 28.524 12.864 41.074 1.00 34.41 ? 249 PRO B CA 1 ATOM 2675 C C . PRO B 1 25 ? 27.903 11.505 40.773 1.00 27.31 ? 249 PRO B C 1 ATOM 2676 O O . PRO B 1 25 ? 27.849 11.078 39.617 1.00 33.54 ? 249 PRO B O 1 ATOM 2677 C CB . PRO B 1 25 ? 30.005 12.670 41.440 1.00 36.41 ? 249 PRO B CB 1 ATOM 2678 C CG . PRO B 1 25 ? 30.216 13.388 42.727 1.00 41.09 ? 249 PRO B CG 1 ATOM 2679 C CD . PRO B 1 25 ? 28.900 13.491 43.406 1.00 32.60 ? 249 PRO B CD 1 ATOM 2680 N N . THR B 1 26 ? 27.457 10.819 41.819 1.00 25.19 ? 250 THR B N 1 ATOM 2681 C CA . THR B 1 26 ? 26.732 9.560 41.664 1.00 29.96 ? 250 THR B CA 1 ATOM 2682 C C . THR B 1 26 ? 25.441 9.603 42.477 1.00 29.71 ? 250 THR B C 1 ATOM 2683 O O . THR B 1 26 ? 25.388 10.224 43.543 1.00 30.71 ? 250 THR B O 1 ATOM 2684 C CB . THR B 1 26 ? 27.572 8.343 42.125 1.00 39.87 ? 250 THR B CB 1 ATOM 2685 O OG1 . THR B 1 26 ? 27.620 8.299 43.558 1.00 42.76 ? 250 THR B OG1 1 ATOM 2686 C CG2 . THR B 1 26 ? 28.989 8.419 41.570 1.00 40.00 ? 250 THR B CG2 1 ATOM 2687 N N . ILE B 1 27 ? 24.412 8.946 41.960 1.00 27.62 ? 251 ILE B N 1 ATOM 2688 C CA . ILE B 1 27 ? 23.104 8.876 42.601 1.00 30.72 ? 251 ILE B CA 1 ATOM 2689 C C . ILE B 1 27 ? 22.847 7.461 43.089 1.00 34.39 ? 251 ILE B C 1 ATOM 2690 O O . ILE B 1 27 ? 22.963 6.505 42.319 1.00 34.12 ? 251 ILE B O 1 ATOM 2691 C CB . ILE B 1 27 ? 21.975 9.202 41.592 1.00 32.35 ? 251 ILE B CB 1 ATOM 2692 C CG1 . ILE B 1 27 ? 22.264 10.513 40.849 1.00 43.34 ? 251 ILE B CG1 1 ATOM 2693 C CG2 . ILE B 1 27 ? 20.592 9.188 42.281 1.00 32.23 ? 251 ILE B CG2 1 ATOM 2694 C CD1 . ILE B 1 27 ? 22.530 11.686 41.736 1.00 43.16 ? 251 ILE B CD1 1 ATOM 2695 N N . GLN B 1 28 ? 22.487 7.316 44.359 1.00 28.64 ? 252 GLN B N 1 ATOM 2696 C CA . GLN B 1 28 ? 22.040 6.014 44.843 1.00 32.77 ? 252 GLN B CA 1 ATOM 2697 C C . GLN B 1 28 ? 20.523 5.980 44.907 1.00 29.57 ? 252 GLN B C 1 ATOM 2698 O O . GLN B 1 28 ? 19.890 6.902 45.430 1.00 27.59 ? 252 GLN B O 1 ATOM 2699 C CB . GLN B 1 28 ? 22.621 5.688 46.219 1.00 37.39 ? 252 GLN B CB 1 ATOM 2700 C CG . GLN B 1 28 ? 24.074 5.309 46.186 1.00 42.89 ? 252 GLN B CG 1 ATOM 2701 C CD . GLN B 1 28 ? 24.948 6.507 45.924 1.00 46.32 ? 252 GLN B CD 1 ATOM 2702 O OE1 . GLN B 1 28 ? 25.747 6.516 44.990 1.00 52.30 ? 252 GLN B OE1 1 ATOM 2703 N NE2 . GLN B 1 28 ? 24.782 7.546 46.739 1.00 37.95 ? 252 GLN B NE2 1 ATOM 2704 N N . LEU B 1 29 ? 19.939 4.922 44.359 1.00 28.96 ? 253 LEU B N 1 ATOM 2705 C CA . LEU B 1 29 ? 18.519 4.671 44.545 1.00 25.74 ? 253 LEU B CA 1 ATOM 2706 C C . LEU B 1 29 ? 18.421 3.535 45.535 1.00 32.93 ? 253 LEU B C 1 ATOM 2707 O O . LEU B 1 29 ? 19.040 2.491 45.340 1.00 35.64 ? 253 LEU B O 1 ATOM 2708 C CB . LEU B 1 29 ? 17.858 4.289 43.218 1.00 27.18 ? 253 LEU B CB 1 ATOM 2709 C CG . LEU B 1 29 ? 17.929 5.402 42.176 1.00 25.40 ? 253 LEU B CG 1 ATOM 2710 C CD1 . LEU B 1 29 ? 17.233 4.989 40.870 1.00 29.38 ? 253 LEU B CD1 1 ATOM 2711 C CD2 . LEU B 1 29 ? 17.315 6.668 42.752 1.00 29.63 ? 253 LEU B CD2 1 ATOM 2712 N N . LEU B 1 30 A 17.675 3.750 46.615 1.00 34.93 ? 253 LEU B N 1 ATOM 2713 C CA . LEU B 1 30 A 17.564 2.762 47.674 1.00 28.25 ? 253 LEU B CA 1 ATOM 2714 C C . LEU B 1 30 A 16.140 2.233 47.750 1.00 31.20 ? 253 LEU B C 1 ATOM 2715 O O . LEU B 1 30 A 15.235 2.914 48.229 1.00 41.22 ? 253 LEU B O 1 ATOM 2716 C CB . LEU B 1 30 A 17.959 3.384 49.006 1.00 34.29 ? 253 LEU B CB 1 ATOM 2717 C CG . LEU B 1 30 A 17.947 2.442 50.201 1.00 41.69 ? 253 LEU B CG 1 ATOM 2718 C CD1 . LEU B 1 30 A 19.029 1.384 50.044 1.00 38.38 ? 253 LEU B CD1 1 ATOM 2719 C CD2 . LEU B 1 30 A 18.148 3.263 51.467 1.00 36.43 ? 253 LEU B CD2 1 ATOM 2720 N N . CYS B 1 31 ? 15.944 1.022 47.255 1.00 32.21 ? 254 CYS B N 1 ATOM 2721 C CA . CYS B 1 31 ? 14.615 0.441 47.237 1.00 32.41 ? 254 CYS B CA 1 ATOM 2722 C C . CYS B 1 31 ? 14.348 -0.233 48.571 1.00 40.48 ? 254 CYS B C 1 ATOM 2723 O O . CYS B 1 31 ? 14.986 -1.226 48.902 1.00 37.01 ? 254 CYS B O 1 ATOM 2724 C CB . CYS B 1 31 ? 14.492 -0.565 46.103 1.00 31.05 ? 254 CYS B CB 1 ATOM 2725 S SG . CYS B 1 31 ? 12.864 -1.319 46.059 1.00 38.77 ? 254 CYS B SG 1 ATOM 2726 N N . LEU B 1 32 ? 13.416 0.321 49.343 1.00 37.28 ? 255 LEU B N 1 ATOM 2727 C CA . LEU B 1 32 ? 13.079 -0.241 50.646 1.00 33.94 ? 255 LEU B CA 1 ATOM 2728 C C . LEU B 1 32 ? 11.812 -1.072 50.584 1.00 35.62 ? 255 LEU B C 1 ATOM 2729 O O . LEU B 1 32 ? 10.759 -0.602 50.146 1.00 40.29 ? 255 LEU B O 1 ATOM 2730 C CB . LEU B 1 32 ? 12.902 0.860 51.689 1.00 39.82 ? 255 LEU B CB 1 ATOM 2731 C CG . LEU B 1 32 ? 14.130 1.729 51.943 1.00 40.44 ? 255 LEU B CG 1 ATOM 2732 C CD1 . LEU B 1 32 ? 13.731 2.963 52.728 1.00 48.25 ? 255 LEU B CD1 1 ATOM 2733 C CD2 . LEU B 1 32 ? 15.206 0.939 52.673 1.00 42.56 ? 255 LEU B CD2 1 ATOM 2734 N N . VAL B 1 33 ? 11.927 -2.314 51.028 1.00 35.01 ? 256 VAL B N 1 ATOM 2735 C CA . VAL B 1 33 ? 10.776 -3.196 51.136 1.00 44.79 ? 256 VAL B CA 1 ATOM 2736 C C . VAL B 1 33 ? 10.346 -3.273 52.599 1.00 53.63 ? 256 VAL B C 1 ATOM 2737 O O . VAL B 1 33 ? 11.056 -3.830 53.440 1.00 49.73 ? 256 VAL B O 1 ATOM 2738 C CB . VAL B 1 33 ? 11.094 -4.597 50.598 1.00 39.58 ? 256 VAL B CB 1 ATOM 2739 C CG1 . VAL B 1 33 ? 9.849 -5.460 50.622 1.00 46.97 ? 256 VAL B CG1 1 ATOM 2740 C CG2 . VAL B 1 33 ? 11.645 -4.501 49.183 1.00 42.57 ? 256 VAL B CG2 1 ATOM 2741 N N . SER B 1 34 ? 9.187 -2.688 52.892 1.00 54.76 ? 257 SER B N 1 ATOM 2742 C CA . SER B 1 34 ? 8.678 -2.592 54.258 1.00 48.38 ? 257 SER B CA 1 ATOM 2743 C C . SER B 1 34 ? 8.433 -3.957 54.890 1.00 50.78 ? 257 SER B C 1 ATOM 2744 O O . SER B 1 34 ? 8.075 -4.919 54.203 1.00 41.96 ? 257 SER B O 1 ATOM 2745 C CB . SER B 1 34 ? 7.379 -1.781 54.284 1.00 48.41 ? 257 SER B CB 1 ATOM 2746 O OG . SER B 1 34 ? 6.354 -2.452 53.569 1.00 50.13 ? 257 SER B OG 1 ATOM 2747 N N . GLY B 1 35 ? 8.612 -4.018 56.207 1.00 54.09 ? 258 GLY B N 1 ATOM 2748 C CA . GLY B 1 35 ? 8.422 -5.237 56.976 1.00 56.65 ? 258 GLY B CA 1 ATOM 2749 C C . GLY B 1 35 ? 7.311 -6.129 56.456 1.00 56.35 ? 258 GLY B C 1 ATOM 2750 O O . GLY B 1 35 ? 6.155 -5.712 56.351 1.00 57.66 ? 258 GLY B O 1 ATOM 2751 N N . TYR B 1 36 ? 7.675 -7.365 56.132 1.00 55.72 ? 259 TYR B N 1 ATOM 2752 C CA . TYR B 1 36 ? 6.748 -8.319 55.543 1.00 54.10 ? 259 TYR B CA 1 ATOM 2753 C C . TYR B 1 36 ? 6.969 -9.707 56.128 1.00 57.03 ? 259 TYR B C 1 ATOM 2754 O O . TYR B 1 36 ? 8.049 -10.009 56.638 1.00 58.52 ? 259 TYR B O 1 ATOM 2755 C CB . TYR B 1 36 ? 6.944 -8.369 54.028 1.00 51.32 ? 259 TYR B CB 1 ATOM 2756 C CG . TYR B 1 36 ? 8.346 -8.768 53.614 1.00 52.83 ? 259 TYR B CG 1 ATOM 2757 C CD1 . TYR B 1 36 ? 8.693 -10.108 53.456 1.00 55.96 ? 259 TYR B CD1 1 ATOM 2758 C CD2 . TYR B 1 36 ? 9.324 -7.807 53.386 1.00 49.04 ? 259 TYR B CD2 1 ATOM 2759 C CE1 . TYR B 1 36 ? 9.972 -10.480 53.083 1.00 57.94 ? 259 TYR B CE1 1 ATOM 2760 C CE2 . TYR B 1 36 ? 10.606 -8.167 53.013 1.00 50.58 ? 259 TYR B CE2 1 ATOM 2761 C CZ . TYR B 1 36 ? 10.927 -9.504 52.860 1.00 55.19 ? 259 TYR B CZ 1 ATOM 2762 O OH . TYR B 1 36 ? 12.206 -9.865 52.487 1.00 50.00 ? 259 TYR B OH 1 ATOM 2763 N N . THR B 1 37 ? 5.944 -10.549 56.046 1.00 61.03 ? 260 THR B N 1 ATOM 2764 C CA . THR B 1 37 ? 6.056 -11.932 56.488 1.00 62.73 ? 260 THR B CA 1 ATOM 2765 C C . THR B 1 37 ? 7.229 -12.609 55.791 1.00 66.87 ? 260 THR B C 1 ATOM 2766 O O . THR B 1 37 ? 7.340 -12.565 54.567 1.00 67.97 ? 260 THR B O 1 ATOM 2767 C CB . THR B 1 37 ? 4.767 -12.725 56.194 1.00 69.85 ? 260 THR B CB 1 ATOM 2768 O OG1 . THR B 1 37 ? 3.660 -12.101 56.856 1.00 71.48 ? 260 THR B OG1 1 ATOM 2769 C CG2 . THR B 1 37 ? 4.901 -14.162 56.675 1.00 71.26 ? 260 THR B CG2 1 ATOM 2770 N N . PRO B 1 38 ? 8.119 -13.232 56.574 1.00 67.58 ? 261 PRO B N 1 ATOM 2771 C CA . PRO B 1 38 ? 9.303 -13.881 56.007 1.00 68.69 ? 261 PRO B CA 1 ATOM 2772 C C . PRO B 1 38 ? 8.951 -14.863 54.892 1.00 69.18 ? 261 PRO B C 1 ATOM 2773 O O . PRO B 1 38 ? 7.937 -15.565 54.962 1.00 64.26 ? 261 PRO B O 1 ATOM 2774 C CB . PRO B 1 38 ? 9.901 -14.616 57.207 1.00 74.97 ? 261 PRO B CB 1 ATOM 2775 C CG . PRO B 1 38 ? 9.466 -13.808 58.385 1.00 73.81 ? 261 PRO B CG 1 ATOM 2776 C CD . PRO B 1 38 ? 8.092 -13.310 58.045 1.00 70.27 ? 261 PRO B CD 1 ATOM 2777 N N . GLY B 1 39 ? 9.793 -14.898 53.866 1.00 63.72 ? 262 GLY B N 1 ATOM 2778 C CA . GLY B 1 39 ? 9.578 -15.759 52.719 1.00 70.98 ? 262 GLY B CA 1 ATOM 2779 C C . GLY B 1 39 ? 10.459 -15.309 51.573 1.00 69.43 ? 262 GLY B C 1 ATOM 2780 O O . GLY B 1 39 ? 10.837 -14.141 51.511 1.00 63.57 ? 262 GLY B O 1 ATOM 2781 N N . THR B 1 40 ? 10.793 -16.231 50.674 1.00 78.74 ? 263 THR B N 1 ATOM 2782 C CA . THR B 1 40 ? 11.684 -15.925 49.557 1.00 77.60 ? 263 THR B CA 1 ATOM 2783 C C . THR B 1 40 ? 11.322 -14.604 48.886 1.00 70.63 ? 263 THR B C 1 ATOM 2784 O O . THR B 1 40 ? 10.148 -14.296 48.682 1.00 72.83 ? 263 THR B O 1 ATOM 2785 C CB . THR B 1 40 ? 11.687 -17.045 48.496 1.00 85.82 ? 263 THR B CB 1 ATOM 2786 O OG1 . THR B 1 40 ? 12.030 -18.292 49.112 1.00 93.36 ? 263 THR B OG1 1 ATOM 2787 C CG2 . THR B 1 40 ? 12.699 -16.734 47.401 1.00 84.48 ? 263 THR B CG2 1 ATOM 2788 N N . ILE B 1 41 ? 12.341 -13.825 48.545 1.00 63.01 ? 264 ILE B N 1 ATOM 2789 C CA . ILE B 1 41 ? 12.130 -12.530 47.920 1.00 59.04 ? 264 ILE B CA 1 ATOM 2790 C C . ILE B 1 41 ? 13.203 -12.282 46.872 1.00 58.06 ? 264 ILE B C 1 ATOM 2791 O O . ILE B 1 41 ? 14.340 -12.726 47.024 1.00 58.84 ? 264 ILE B O 1 ATOM 2792 C CB . ILE B 1 41 ? 12.161 -11.397 48.971 1.00 60.09 ? 264 ILE B CB 1 ATOM 2793 C CG1 . ILE B 1 41 ? 11.604 -10.101 48.385 1.00 64.67 ? 264 ILE B CG1 1 ATOM 2794 C CG2 . ILE B 1 41 ? 13.573 -11.189 49.511 1.00 49.38 ? 264 ILE B CG2 1 ATOM 2795 C CD1 . ILE B 1 41 ? 11.431 -9.005 49.412 1.00 68.43 ? 264 ILE B CD1 1 ATOM 2796 N N . GLN B 1 42 ? 12.842 -11.588 45.800 1.00 50.33 ? 265 GLN B N 1 ATOM 2797 C CA . GLN B 1 42 ? 13.838 -11.197 44.815 1.00 56.34 ? 265 GLN B CA 1 ATOM 2798 C C . GLN B 1 42 ? 13.597 -9.780 44.322 1.00 52.78 ? 265 GLN B C 1 ATOM 2799 O O . GLN B 1 42 ? 12.463 -9.399 44.032 1.00 54.10 ? 265 GLN B O 1 ATOM 2800 C CB . GLN B 1 42 ? 13.862 -12.160 43.631 1.00 67.22 ? 265 GLN B CB 1 ATOM 2801 C CG . GLN B 1 42 ? 15.198 -12.165 42.912 1.00 81.70 ? 265 GLN B CG 1 ATOM 2802 C CD . GLN B 1 42 ? 15.053 -12.010 41.417 1.00 97.09 ? 265 GLN B CD 1 ATOM 2803 O OE1 . GLN B 1 42 ? 13.947 -12.077 40.877 1.00 101.66 ? 265 GLN B OE1 1 ATOM 2804 N NE2 . GLN B 1 42 ? 16.173 -11.791 40.735 1.00 102.31 ? 265 GLN B NE2 1 ATOM 2805 N N . ILE B 1 43 ? 14.672 -9.004 44.233 1.00 48.09 ? 266 ILE B N 1 ATOM 2806 C CA . ILE B 1 43 ? 14.586 -7.628 43.759 1.00 46.38 ? 266 ILE B CA 1 ATOM 2807 C C . ILE B 1 43 ? 15.258 -7.491 42.400 1.00 48.76 ? 266 ILE B C 1 ATOM 2808 O O . ILE B 1 43 ? 16.400 -7.910 42.213 1.00 49.90 ? 266 ILE B O 1 ATOM 2809 C CB . ILE B 1 43 ? 15.220 -6.620 44.750 1.00 38.30 ? 266 ILE B CB 1 ATOM 2810 C CG1 . ILE B 1 43 ? 14.414 -6.542 46.047 1.00 42.03 ? 266 ILE B CG1 1 ATOM 2811 C CG2 . ILE B 1 43 ? 15.299 -5.239 44.135 1.00 44.30 ? 266 ILE B CG2 1 ATOM 2812 C CD1 . ILE B 1 43 ? 14.688 -7.679 47.001 1.00 54.63 ? 266 ILE B CD1 1 ATOM 2813 N N . THR B 1 44 ? 14.532 -6.903 41.457 1.00 41.98 ? 267 THR B N 1 ATOM 2814 C CA . THR B 1 44 ? 15.040 -6.651 40.118 1.00 43.33 ? 267 THR B CA 1 ATOM 2815 C C . THR B 1 44 ? 14.904 -5.164 39.791 1.00 44.34 ? 267 THR B C 1 ATOM 2816 O O . THR B 1 44 ? 13.866 -4.556 40.047 1.00 48.93 ? 267 THR B O 1 ATOM 2817 C CB . THR B 1 44 ? 14.260 -7.479 39.081 1.00 43.03 ? 267 THR B CB 1 ATOM 2818 O OG1 . THR B 1 44 ? 14.392 -8.872 39.389 1.00 49.10 ? 267 THR B OG1 1 ATOM 2819 C CG2 . THR B 1 44 ? 14.781 -7.228 37.676 1.00 50.31 ? 267 THR B CG2 1 ATOM 2820 N N . TRP B 1 45 ? 15.960 -4.573 39.244 1.00 40.16 ? 268 TRP B N 1 ATOM 2821 C CA . TRP B 1 45 ? 15.895 -3.188 38.800 1.00 40.02 ? 268 TRP B CA 1 ATOM 2822 C C . TRP B 1 45 ? 15.662 -3.133 37.296 1.00 42.31 ? 268 TRP B C 1 ATOM 2823 O O . TRP B 1 45 ? 16.224 -3.927 36.548 1.00 40.10 ? 268 TRP B O 1 ATOM 2824 C CB . TRP B 1 45 ? 17.181 -2.439 39.149 1.00 34.50 ? 268 TRP B CB 1 ATOM 2825 C CG . TRP B 1 45 ? 17.308 -2.078 40.601 1.00 37.53 ? 268 TRP B CG 1 ATOM 2826 C CD1 . TRP B 1 45 ? 17.956 -2.788 41.569 1.00 38.84 ? 268 TRP B CD1 1 ATOM 2827 C CD2 . TRP B 1 45 ? 16.771 -0.917 41.247 1.00 33.85 ? 268 TRP B CD2 1 ATOM 2828 N NE1 . TRP B 1 45 ? 17.859 -2.138 42.779 1.00 36.92 ? 268 TRP B NE1 1 ATOM 2829 C CE2 . TRP B 1 45 ? 17.139 -0.984 42.605 1.00 36.07 ? 268 TRP B CE2 1 ATOM 2830 C CE3 . TRP B 1 45 ? 16.020 0.176 40.806 1.00 30.57 ? 268 TRP B CE3 1 ATOM 2831 C CZ2 . TRP B 1 45 ? 16.775 -0.004 43.530 1.00 38.51 ? 268 TRP B CZ2 1 ATOM 2832 C CZ3 . TRP B 1 45 ? 15.664 1.154 41.730 1.00 34.48 ? 268 TRP B CZ3 1 ATOM 2833 C CH2 . TRP B 1 45 ? 16.042 1.056 43.069 1.00 36.92 ? 268 TRP B CH2 1 ATOM 2834 N N . LEU B 1 46 ? 14.834 -2.191 36.861 1.00 42.58 ? 269 LEU B N 1 ATOM 2835 C CA . LEU B 1 46 ? 14.600 -1.972 35.438 1.00 43.96 ? 269 LEU B CA 1 ATOM 2836 C C . LEU B 1 46 ? 14.985 -0.549 35.071 1.00 49.00 ? 269 LEU B C 1 ATOM 2837 O O . LEU B 1 46 ? 14.735 0.379 35.834 1.00 43.95 ? 269 LEU B O 1 ATOM 2838 C CB . LEU B 1 46 ? 13.126 -2.179 35.093 1.00 38.46 ? 269 LEU B CB 1 ATOM 2839 C CG . LEU B 1 46 ? 12.447 -3.503 35.415 1.00 43.35 ? 269 LEU B CG 1 ATOM 2840 C CD1 . LEU B 1 46 ? 11.001 -3.455 34.938 1.00 49.62 ? 269 LEU B CD1 1 ATOM 2841 C CD2 . LEU B 1 46 ? 13.181 -4.647 34.754 1.00 50.03 ? 269 LEU B CD2 1 ATOM 2842 N N . GLU B 1 47 ? 15.592 -0.385 33.901 1.00 43.72 ? 270 GLU B N 1 ATOM 2843 C CA . GLU B 1 47 ? 15.872 0.933 33.353 1.00 42.16 ? 270 GLU B CA 1 ATOM 2844 C C . GLU B 1 47 ? 15.004 1.135 32.116 1.00 50.94 ? 270 GLU B C 1 ATOM 2845 O O . GLU B 1 47 ? 15.149 0.416 31.125 1.00 44.86 ? 270 GLU B O 1 ATOM 2846 C CB . GLU B 1 47 ? 17.353 1.066 33.002 1.00 42.30 ? 270 GLU B CB 1 ATOM 2847 C CG . GLU B 1 47 ? 17.670 2.193 32.039 1.00 52.74 ? 270 GLU B CG 1 ATOM 2848 C CD . GLU B 1 47 ? 19.156 2.357 31.812 1.00 63.69 ? 270 GLU B CD 1 ATOM 2849 O OE1 . GLU B 1 47 ? 19.878 2.687 32.775 1.00 62.40 ? 270 GLU B OE1 1 ATOM 2850 O OE2 . GLU B 1 47 ? 19.606 2.161 30.666 1.00 74.39 ? 270 GLU B OE2 1 ATOM 2851 N N . ASP B 1 48 ? 14.089 2.099 32.184 1.00 50.75 ? 271 ASP B N 1 ATOM 2852 C CA . ASP B 1 48 ? 13.102 2.283 31.122 1.00 60.84 ? 271 ASP B CA 1 ATOM 2853 C C . ASP B 1 48 ? 12.540 0.936 30.654 1.00 61.80 ? 271 ASP B C 1 ATOM 2854 O O . ASP B 1 48 ? 12.439 0.674 29.453 1.00 50.02 ? 271 ASP B O 1 ATOM 2855 C CB . ASP B 1 48 ? 13.705 3.061 29.946 1.00 66.02 ? 271 ASP B CB 1 ATOM 2856 C CG . ASP B 1 48 ? 13.901 4.536 30.260 1.00 63.22 ? 271 ASP B CG 1 ATOM 2857 O OD1 . ASP B 1 48 ? 13.119 5.077 31.069 1.00 54.60 ? 271 ASP B OD1 1 ATOM 2858 O OD2 . ASP B 1 48 ? 14.833 5.157 29.699 1.00 63.25 ? 271 ASP B OD2 1 ATOM 2859 N N . GLY B 1 49 ? 12.200 0.074 31.610 1.00 57.19 ? 272 GLY B N 1 ATOM 2860 C CA . GLY B 1 49 ? 11.562 -1.197 31.305 1.00 63.39 ? 272 GLY B CA 1 ATOM 2861 C C . GLY B 1 49 ? 12.481 -2.398 31.131 1.00 63.05 ? 272 GLY B C 1 ATOM 2862 O O . GLY B 1 49 ? 12.038 -3.544 31.241 1.00 57.56 ? 272 GLY B O 1 ATOM 2863 N N . GLN B 1 50 ? 13.757 -2.142 30.858 1.00 65.49 ? 273 GLN B N 1 ATOM 2864 C CA . GLN B 1 50 ? 14.720 -3.210 30.601 1.00 65.93 ? 273 GLN B CA 1 ATOM 2865 C C . GLN B 1 50 ? 15.349 -3.702 31.895 1.00 59.01 ? 273 GLN B C 1 ATOM 2866 O O . GLN B 1 50 ? 15.763 -2.897 32.725 1.00 49.96 ? 273 GLN B O 1 ATOM 2867 C CB . GLN B 1 50 ? 15.834 -2.703 29.686 1.00 79.88 ? 273 GLN B CB 1 ATOM 2868 C CG . GLN B 1 50 ? 15.363 -1.812 28.551 1.00 97.83 ? 273 GLN B CG 1 ATOM 2869 C CD . GLN B 1 50 ? 16.419 -0.805 28.128 1.00 108.97 ? 273 GLN B CD 1 ATOM 2870 O OE1 . GLN B 1 50 ? 16.918 -0.029 28.946 1.00 108.27 ? 273 GLN B OE1 1 ATOM 2871 N NE2 . GLN B 1 50 ? 16.760 -0.807 26.844 1.00 114.32 ? 273 GLN B NE2 1 ATOM 2872 N N . VAL B 1 51 ? 15.436 -5.018 32.062 1.00 49.86 ? 274 VAL B N 1 ATOM 2873 C CA . VAL B 1 51 ? 16.128 -5.586 33.216 1.00 52.99 ? 274 VAL B CA 1 ATOM 2874 C C . VAL B 1 51 ? 17.585 -5.124 33.244 1.00 52.89 ? 274 VAL B C 1 ATOM 2875 O O . VAL B 1 51 ? 18.300 -5.241 32.246 1.00 56.28 ? 274 VAL B O 1 ATOM 2876 C CB . VAL B 1 51 ? 16.082 -7.132 33.207 1.00 45.54 ? 274 VAL B CB 1 ATOM 2877 C CG1 . VAL B 1 51 ? 16.901 -7.697 34.357 1.00 45.72 ? 274 VAL B CG1 1 ATOM 2878 C CG2 . VAL B 1 51 ? 14.648 -7.621 33.279 1.00 48.67 ? 274 VAL B CG2 1 ATOM 2879 N N . MET B 1 52 ? 18.015 -4.578 34.379 1.00 45.36 ? 275 MET B N 1 ATOM 2880 C CA . MET B 1 52 ? 19.409 -4.187 34.565 1.00 46.48 ? 275 MET B CA 1 ATOM 2881 C C . MET B 1 52 ? 20.150 -5.350 35.202 1.00 59.66 ? 275 MET B C 1 ATOM 2882 O O . MET B 1 52 ? 19.573 -6.083 36.007 1.00 55.81 ? 275 MET B O 1 ATOM 2883 C CB . MET B 1 52 ? 19.516 -2.965 35.481 1.00 41.96 ? 275 MET B CB 1 ATOM 2884 C CG . MET B 1 52 ? 18.680 -1.776 35.050 1.00 35.74 ? 275 MET B CG 1 ATOM 2885 S SD . MET B 1 52 ? 18.804 -0.409 36.228 1.00 43.54 ? 275 MET B SD 1 ATOM 2886 C CE . MET B 1 52 ? 20.473 0.165 35.922 1.00 51.69 ? 275 MET B CE 1 ATOM 2887 N N . ASP B 1 53 ? 21.421 -5.530 34.857 1.00 66.52 ? 276 ASP B N 1 ATOM 2888 C CA . ASP B 1 53 ? 22.169 -6.647 35.430 1.00 71.98 ? 276 ASP B CA 1 ATOM 2889 C C . ASP B 1 53 ? 22.359 -6.473 36.935 1.00 60.74 ? 276 ASP B C 1 ATOM 2890 O O . ASP B 1 53 ? 22.609 -5.371 37.428 1.00 58.89 ? 276 ASP B O 1 ATOM 2891 C CB . ASP B 1 53 ? 23.503 -6.890 34.711 1.00 86.93 ? 276 ASP B CB 1 ATOM 2892 C CG . ASP B 1 53 ? 24.407 -5.681 34.726 1.00 102.48 ? 276 ASP B CG 1 ATOM 2893 O OD1 . ASP B 1 53 ? 23.891 -4.553 34.577 1.00 108.58 ? 276 ASP B OD1 1 ATOM 2894 O OD2 . ASP B 1 53 ? 25.636 -5.861 34.874 1.00 108.38 ? 276 ASP B OD2 1 ATOM 2895 N N . VAL B 1 54 ? 22.213 -7.577 37.658 1.00 56.53 ? 277 VAL B N 1 ATOM 2896 C CA . VAL B 1 54 ? 22.255 -7.565 39.113 1.00 55.72 ? 277 VAL B CA 1 ATOM 2897 C C . VAL B 1 54 ? 23.570 -6.993 39.643 1.00 46.23 ? 277 VAL B C 1 ATOM 2898 O O . VAL B 1 54 ? 23.667 -6.631 40.814 1.00 46.75 ? 277 VAL B O 1 ATOM 2899 C CB . VAL B 1 54 ? 22.025 -8.986 39.679 1.00 67.75 ? 277 VAL B CB 1 ATOM 2900 C CG1 . VAL B 1 54 ? 23.101 -9.937 39.174 1.00 69.06 ? 277 VAL B CG1 1 ATOM 2901 C CG2 . VAL B 1 54 ? 21.981 -8.966 41.200 1.00 71.91 ? 277 VAL B CG2 1 ATOM 2902 N N . ASP B 1 55 ? 24.575 -6.907 38.773 1.00 51.38 ? 278 ASP B N 1 ATOM 2903 C CA . ASP B 1 55 ? 25.894 -6.405 39.157 1.00 50.63 ? 278 ASP B CA 1 ATOM 2904 C C . ASP B 1 55 ? 25.842 -4.956 39.632 1.00 45.49 ? 278 ASP B C 1 ATOM 2905 O O . ASP B 1 55 ? 26.631 -4.544 40.486 1.00 53.03 ? 278 ASP B O 1 ATOM 2906 C CB . ASP B 1 55 ? 26.876 -6.516 37.985 1.00 61.22 ? 278 ASP B CB 1 ATOM 2907 C CG . ASP B 1 55 ? 27.391 -7.931 37.776 1.00 70.41 ? 278 ASP B CG 1 ATOM 2908 O OD1 . ASP B 1 55 ? 28.493 -8.075 37.205 1.00 73.28 ? 278 ASP B OD1 1 ATOM 2909 O OD2 . ASP B 1 55 ? 26.701 -8.894 38.176 1.00 73.43 ? 278 ASP B OD2 1 ATOM 2910 N N . LEU B 1 56 ? 24.914 -4.188 39.065 1.00 44.57 ? 279 LEU B N 1 ATOM 2911 C CA . LEU B 1 56 ? 24.794 -2.756 39.357 1.00 42.19 ? 279 LEU B CA 1 ATOM 2912 C C . LEU B 1 56 ? 24.148 -2.468 40.714 1.00 47.96 ? 279 LEU B C 1 ATOM 2913 O O . LEU B 1 56 ? 24.236 -1.351 41.224 1.00 39.94 ? 279 LEU B O 1 ATOM 2914 C CB . LEU B 1 56 ? 23.993 -2.057 38.257 1.00 40.26 ? 279 LEU B CB 1 ATOM 2915 C CG . LEU B 1 56 ? 24.714 -1.714 36.949 1.00 49.46 ? 279 LEU B CG 1 ATOM 2916 C CD1 . LEU B 1 56 ? 25.794 -2.726 36.614 1.00 60.01 ? 279 LEU B CD1 1 ATOM 2917 C CD2 . LEU B 1 56 ? 23.708 -1.606 35.816 1.00 52.16 ? 279 LEU B CD2 1 ATOM 2918 N N . SER B 1 57 ? 23.501 -3.472 41.296 1.00 46.42 ? 280 SER B N 1 ATOM 2919 C CA . SER B 1 57 ? 22.841 -3.291 42.585 1.00 40.10 ? 280 SER B CA 1 ATOM 2920 C C . SER B 1 57 ? 23.300 -4.299 43.640 1.00 46.52 ? 280 SER B C 1 ATOM 2921 O O . SER B 1 57 ? 23.885 -5.337 43.322 1.00 46.41 ? 280 SER B O 1 ATOM 2922 C CB . SER B 1 57 ? 21.322 -3.359 42.417 1.00 35.44 ? 280 SER B CB 1 ATOM 2923 O OG . SER B 1 57 ? 20.931 -4.569 41.789 1.00 44.22 ? 280 SER B OG 1 ATOM 2924 N N . THR B 1 58 ? 23.037 -3.971 44.900 1.00 39.28 ? 281 THR B N 1 ATOM 2925 C CA . THR B 1 58 ? 23.244 -4.897 46.004 1.00 47.41 ? 281 THR B CA 1 ATOM 2926 C C . THR B 1 58 ? 21.953 -5.029 46.798 1.00 47.12 ? 281 THR B C 1 ATOM 2927 O O . THR B 1 58 ? 21.188 -4.070 46.911 1.00 46.72 ? 281 THR B O 1 ATOM 2928 C CB . THR B 1 58 ? 24.348 -4.415 46.963 1.00 56.80 ? 281 THR B CB 1 ATOM 2929 O OG1 . THR B 1 58 ? 23.910 -3.228 47.639 1.00 58.48 ? 281 THR B OG1 1 ATOM 2930 C CG2 . THR B 1 58 ? 25.639 -4.133 46.205 1.00 52.10 ? 281 THR B CG2 1 ATOM 2931 N N . ALA B 1 59 ? 21.715 -6.212 47.355 1.00 43.59 ? 282 ALA B N 1 ATOM 2932 C CA . ALA B 1 59 ? 20.525 -6.439 48.161 1.00 45.63 ? 282 ALA B CA 1 ATOM 2933 C C . ALA B 1 59 ? 20.896 -6.983 49.535 1.00 55.60 ? 282 ALA B C 1 ATOM 2934 O O . ALA B 1 59 ? 21.874 -7.724 49.681 1.00 47.77 ? 282 ALA B O 1 ATOM 2935 C CB . ALA B 1 59 ? 19.578 -7.392 47.451 1.00 45.64 ? 282 ALA B CB 1 ATOM 2936 N N . SER B 1 60 ? 20.106 -6.613 50.540 1.00 54.49 ? 283 SER B N 1 ATOM 2937 C CA . SER B 1 60 ? 20.335 -7.067 51.906 1.00 53.34 ? 283 SER B CA 1 ATOM 2938 C C . SER B 1 60 ? 19.001 -7.307 52.591 1.00 51.66 ? 283 SER B C 1 ATOM 2939 O O . SER B 1 60 ? 18.126 -6.440 52.582 1.00 46.42 ? 283 SER B O 1 ATOM 2940 C CB . SER B 1 60 ? 21.142 -6.034 52.695 1.00 60.05 ? 283 SER B CB 1 ATOM 2941 O OG . SER B 1 60 ? 22.266 -5.588 51.953 1.00 72.08 ? 283 SER B OG 1 ATOM 2942 N N . THR B 1 61 ? 18.844 -8.488 53.177 1.00 57.82 ? 284 THR B N 1 ATOM 2943 C CA . THR B 1 61 ? 17.642 -8.791 53.942 1.00 59.73 ? 284 THR B CA 1 ATOM 2944 C C . THR B 1 61 ? 17.951 -8.914 55.429 1.00 60.87 ? 284 THR B C 1 ATOM 2945 O O . THR B 1 61 ? 18.928 -9.548 55.827 1.00 55.33 ? 284 THR B O 1 ATOM 2946 C CB . THR B 1 61 ? 16.942 -10.065 53.438 1.00 58.81 ? 284 THR B CB 1 ATOM 2947 O OG1 . THR B 1 61 ? 16.400 -9.821 52.135 1.00 46.78 ? 284 THR B OG1 1 ATOM 2948 C CG2 . THR B 1 61 ? 15.807 -10.462 54.380 1.00 60.00 ? 284 THR B CG2 1 ATOM 2949 N N . THR B 1 62 ? 17.116 -8.274 56.238 1.00 60.45 ? 285 THR B N 1 ATOM 2950 C CA . THR B 1 62 ? 17.202 -8.374 57.683 1.00 65.76 ? 285 THR B CA 1 ATOM 2951 C C . THR B 1 62 ? 15.856 -8.834 58.224 1.00 70.58 ? 285 THR B C 1 ATOM 2952 O O . THR B 1 62 ? 14.810 -8.402 57.745 1.00 60.96 ? 285 THR B O 1 ATOM 2953 C CB . THR B 1 62 ? 17.545 -7.015 58.318 1.00 66.75 ? 285 THR B CB 1 ATOM 2954 O OG1 . THR B 1 62 ? 18.831 -6.578 57.859 1.00 63.34 ? 285 THR B OG1 1 ATOM 2955 C CG2 . THR B 1 62 ? 17.565 -7.128 59.832 1.00 77.08 ? 285 THR B CG2 1 ATOM 2956 N N . GLN B 1 63 ? 15.875 -9.725 59.209 1.00 84.64 ? 286 GLN B N 1 ATOM 2957 C CA . GLN B 1 63 ? 14.656 -10.029 59.942 1.00 92.10 ? 286 GLN B CA 1 ATOM 2958 C C . GLN B 1 63 ? 14.819 -9.637 61.399 1.00 99.95 ? 286 GLN B C 1 ATOM 2959 O O . GLN B 1 63 ? 15.837 -9.926 62.026 1.00 101.86 ? 286 GLN B O 1 ATOM 2960 C CB . GLN B 1 63 ? 14.257 -11.501 59.829 1.00 95.43 ? 286 GLN B CB 1 ATOM 2961 C CG . GLN B 1 63 ? 13.057 -11.847 60.704 1.00 97.86 ? 286 GLN B CG 1 ATOM 2962 C CD . GLN B 1 63 ? 12.433 -13.187 60.369 1.00 99.69 ? 286 GLN B CD 1 ATOM 2963 O OE1 . GLN B 1 63 ? 11.539 -13.658 61.074 1.00 101.84 ? 286 GLN B OE1 1 ATOM 2964 N NE2 . GLN B 1 63 ? 12.897 -13.808 59.291 1.00 95.91 ? 286 GLN B NE2 1 ATOM 2965 N N . GLU B 1 64 ? 13.809 -8.959 61.924 1.00 104.15 ? 287 GLU B N 1 ATOM 2966 C CA . GLU B 1 64 ? 13.803 -8.547 63.315 1.00 111.75 ? 287 GLU B CA 1 ATOM 2967 C C . GLU B 1 64 ? 12.411 -8.784 63.870 1.00 104.29 ? 287 GLU B C 1 ATOM 2968 O O . GLU B 1 64 ? 11.446 -8.138 63.461 1.00 98.17 ? 287 GLU B O 1 ATOM 2969 C CB . GLU B 1 64 ? 14.213 -7.081 63.433 1.00 123.29 ? 287 GLU B CB 1 ATOM 2970 C CG . GLU B 1 64 ? 15.681 -6.848 63.106 1.00 133.66 ? 287 GLU B CG 1 ATOM 2971 C CD . GLU B 1 64 ? 15.922 -5.536 62.389 1.00 141.12 ? 287 GLU B CD 1 ATOM 2972 O OE1 . GLU B 1 64 ? 14.940 -4.923 61.919 1.00 144.25 ? 287 GLU B OE1 1 ATOM 2973 O OE2 . GLU B 1 64 ? 17.096 -5.122 62.286 1.00 142.68 ? 287 GLU B OE2 1 ATOM 2974 N N . GLY B 1 65 ? 12.313 -9.731 64.794 1.00 101.19 ? 288 GLY B N 1 ATOM 2975 C CA . GLY B 1 65 ? 11.022 -10.186 65.261 1.00 100.70 ? 288 GLY B CA 1 ATOM 2976 C C . GLY B 1 65 ? 10.432 -11.115 64.222 1.00 100.14 ? 288 GLY B C 1 ATOM 2977 O O . GLY B 1 65 ? 11.119 -12.000 63.711 1.00 101.13 ? 288 GLY B O 1 ATOM 2978 N N . GLU B 1 66 ? 9.164 -10.905 63.892 1.00 100.41 ? 289 GLU B N 1 ATOM 2979 C CA . GLU B 1 66 ? 8.476 -11.779 62.951 1.00 103.46 ? 289 GLU B CA 1 ATOM 2980 C C . GLU B 1 66 ? 8.308 -11.135 61.576 1.00 88.29 ? 289 GLU B C 1 ATOM 2981 O O . GLU B 1 66 ? 7.569 -11.638 60.731 1.00 83.23 ? 289 GLU B O 1 ATOM 2982 C CB . GLU B 1 66 ? 7.117 -12.202 63.516 1.00 118.37 ? 289 GLU B CB 1 ATOM 2983 C CG . GLU B 1 66 ? 6.517 -13.420 62.835 1.00 130.93 ? 289 GLU B CG 1 ATOM 2984 C CD . GLU B 1 66 ? 7.490 -14.582 62.758 1.00 139.08 ? 289 GLU B CD 1 ATOM 2985 O OE1 . GLU B 1 66 ? 7.420 -15.351 61.776 1.00 140.77 ? 289 GLU B OE1 1 ATOM 2986 O OE2 . GLU B 1 66 ? 8.328 -14.724 63.674 1.00 142.50 ? 289 GLU B OE2 1 ATOM 2987 N N . LEU B 1 67 ? 9.000 -10.022 61.353 1.00 78.65 ? 290 LEU B N 1 ATOM 2988 C CA . LEU B 1 67 ? 8.918 -9.322 60.074 1.00 71.67 ? 290 LEU B CA 1 ATOM 2989 C C . LEU B 1 67 ? 10.279 -9.202 59.396 1.00 65.19 ? 290 LEU B C 1 ATOM 2990 O O . LEU B 1 67 ? 11.264 -8.811 60.023 1.00 61.01 ? 290 LEU B O 1 ATOM 2991 C CB . LEU B 1 67 ? 8.311 -7.930 60.259 1.00 69.70 ? 290 LEU B CB 1 ATOM 2992 C CG . LEU B 1 67 ? 6.808 -7.866 60.525 1.00 69.72 ? 290 LEU B CG 1 ATOM 2993 C CD1 . LEU B 1 67 ? 6.367 -6.420 60.702 1.00 67.11 ? 290 LEU B CD1 1 ATOM 2994 C CD2 . LEU B 1 67 ? 6.037 -8.538 59.398 1.00 65.12 ? 290 LEU B CD2 1 ATOM 2995 N N . ALA B 1 68 ? 10.323 -9.542 58.111 1.00 57.59 ? 291 ALA B N 1 ATOM 2996 C CA . ALA B 1 68 ? 11.535 -9.384 57.318 1.00 53.69 ? 291 ALA B CA 1 ATOM 2997 C C . ALA B 1 68 ? 11.522 -8.046 56.593 1.00 52.67 ? 291 ALA B C 1 ATOM 2998 O O . ALA B 1 68 ? 10.473 -7.577 56.150 1.00 53.17 ? 291 ALA B O 1 ATOM 2999 C CB . ALA B 1 68 ? 11.677 -10.523 56.315 1.00 48.40 ? 291 ALA B CB 1 ATOM 3000 N N . SER B 1 69 ? 12.694 -7.434 56.483 1.00 50.04 ? 292 SER B N 1 ATOM 3001 C CA . SER B 1 69 ? 12.846 -6.202 55.726 1.00 41.75 ? 292 SER B CA 1 ATOM 3002 C C . SER B 1 69 ? 14.021 -6.332 54.769 1.00 52.53 ? 292 SER B C 1 ATOM 3003 O O . SER B 1 69 ? 15.056 -6.910 55.107 1.00 45.36 ? 292 SER B O 1 ATOM 3004 C CB . SER B 1 69 ? 13.044 -5.013 56.662 1.00 47.98 ? 292 SER B CB 1 ATOM 3005 O OG . SER B 1 69 ? 11.843 -4.719 57.355 1.00 54.56 ? 292 SER B OG 1 ATOM 3006 N N . THR B 1 70 ? 13.849 -5.799 53.566 1.00 42.91 ? 293 THR B N 1 ATOM 3007 C CA . THR B 1 70 ? 14.863 -5.923 52.535 1.00 43.77 ? 293 THR B CA 1 ATOM 3008 C C . THR B 1 70 ? 15.067 -4.590 51.842 1.00 42.24 ? 293 THR B C 1 ATOM 3009 O O . THR B 1 70 ? 14.116 -3.833 51.624 1.00 40.36 ? 293 THR B O 1 ATOM 3010 C CB . THR B 1 70 ? 14.459 -6.961 51.481 1.00 44.51 ? 293 THR B CB 1 ATOM 3011 O OG1 . THR B 1 70 ? 14.183 -8.208 52.127 1.00 44.88 ? 293 THR B OG1 1 ATOM 3012 C CG2 . THR B 1 70 ? 15.575 -7.154 50.452 1.00 46.03 ? 293 THR B CG2 1 ATOM 3013 N N . GLN B 1 71 ? 16.317 -4.301 51.510 1.00 34.93 ? 294 GLN B N 1 ATOM 3014 C CA . GLN B 1 71 ? 16.629 -3.109 50.743 1.00 35.58 ? 294 GLN B CA 1 ATOM 3015 C C . GLN B 1 71 ? 17.605 -3.456 49.632 1.00 38.71 ? 294 GLN B C 1 ATOM 3016 O O . GLN B 1 71 ? 18.402 -4.377 49.767 1.00 40.20 ? 294 GLN B O 1 ATOM 3017 C CB . GLN B 1 71 ? 17.219 -2.036 51.643 1.00 36.39 ? 294 GLN B CB 1 ATOM 3018 C CG . GLN B 1 71 ? 18.585 -2.377 52.183 1.00 42.34 ? 294 GLN B CG 1 ATOM 3019 C CD . GLN B 1 71 ? 19.135 -1.260 53.036 1.00 48.89 ? 294 GLN B CD 1 ATOM 3020 O OE1 . GLN B 1 71 ? 18.413 -0.685 53.850 1.00 49.63 ? 294 GLN B OE1 1 ATOM 3021 N NE2 . GLN B 1 71 ? 20.411 -0.937 52.851 1.00 51.51 ? 294 GLN B NE2 1 ATOM 3022 N N . SER B 1 72 ? 17.519 -2.727 48.524 1.00 34.26 ? 295 SER B N 1 ATOM 3023 C CA . SER B 1 72 ? 18.456 -2.899 47.426 1.00 32.88 ? 295 SER B CA 1 ATOM 3024 C C . SER B 1 72 ? 18.928 -1.523 46.989 1.00 37.26 ? 295 SER B C 1 ATOM 3025 O O . SER B 1 72 ? 18.119 -0.618 46.812 1.00 38.02 ? 295 SER B O 1 ATOM 3026 C CB . SER B 1 72 ? 17.791 -3.614 46.256 1.00 36.86 ? 295 SER B CB 1 ATOM 3027 O OG . SER B 1 72 ? 18.673 -3.679 45.145 1.00 37.58 ? 295 SER B OG 1 ATOM 3028 N N . GLU B 1 73 ? 20.236 -1.363 46.828 1.00 38.11 ? 296 GLU B N 1 ATOM 3029 C CA . GLU B 1 73 ? 20.792 -0.082 46.424 1.00 34.28 ? 296 GLU B CA 1 ATOM 3030 C C . GLU B 1 73 ? 21.328 -0.147 45.007 1.00 34.35 ? 296 GLU B C 1 ATOM 3031 O O . GLU B 1 73 ? 22.183 -0.969 44.699 1.00 30.93 ? 296 GLU B O 1 ATOM 3032 C CB . GLU B 1 73 ? 21.918 0.332 47.374 1.00 36.80 ? 296 GLU B CB 1 ATOM 3033 C CG . GLU B 1 73 ? 22.418 1.760 47.166 1.00 40.32 ? 296 GLU B CG 1 ATOM 3034 C CD . GLU B 1 73 ? 23.722 2.036 47.910 1.00 53.59 ? 296 GLU B CD 1 ATOM 3035 O OE1 . GLU B 1 73 ? 24.708 1.295 47.687 1.00 54.91 ? 296 GLU B OE1 1 ATOM 3036 O OE2 . GLU B 1 73 ? 23.759 2.995 48.709 1.00 45.35 ? 296 GLU B OE2 1 ATOM 3037 N N . LEU B 1 74 ? 20.828 0.738 44.152 1.00 32.47 ? 297 LEU B N 1 ATOM 3038 C CA . LEU B 1 74 ? 21.320 0.860 42.790 1.00 29.10 ? 297 LEU B CA 1 ATOM 3039 C C . LEU B 1 74 ? 22.123 2.144 42.671 1.00 34.14 ? 297 LEU B C 1 ATOM 3040 O O . LEU B 1 74 ? 21.671 3.196 43.113 1.00 30.99 ? 297 LEU B O 1 ATOM 3041 C CB . LEU B 1 74 ? 20.146 0.898 41.811 1.00 30.33 ? 297 LEU B CB 1 ATOM 3042 C CG . LEU B 1 74 ? 20.484 1.126 40.338 1.00 31.95 ? 297 LEU B CG 1 ATOM 3043 C CD1 . LEU B 1 74 ? 21.387 0.009 39.824 1.00 34.04 ? 297 LEU B CD1 1 ATOM 3044 C CD2 . LEU B 1 74 ? 19.205 1.215 39.519 1.00 37.39 ? 297 LEU B CD2 1 ATOM 3045 N N . THR B 1 75 ? 23.309 2.069 42.074 1.00 33.57 ? 298 THR B N 1 ATOM 3046 C CA . THR B 1 75 ? 24.126 3.269 41.905 1.00 32.69 ? 298 THR B CA 1 ATOM 3047 C C . THR B 1 75 ? 24.227 3.709 40.449 1.00 36.13 ? 298 THR B C 1 ATOM 3048 O O . THR B 1 75 ? 24.464 2.899 39.558 1.00 36.94 ? 298 THR B O 1 ATOM 3049 C CB . THR B 1 75 ? 25.524 3.084 42.499 1.00 41.82 ? 298 THR B CB 1 ATOM 3050 O OG1 . THR B 1 75 ? 25.403 2.789 43.896 1.00 44.80 ? 298 THR B OG1 1 ATOM 3051 C CG2 . THR B 1 75 ? 26.342 4.349 42.321 1.00 38.03 ? 298 THR B CG2 1 ATOM 3052 N N . LEU B 1 76 ? 24.049 5.003 40.217 1.00 32.73 ? 299 LEU B N 1 ATOM 3053 C CA . LEU B 1 76 ? 24.019 5.542 38.866 1.00 33.25 ? 299 LEU B CA 1 ATOM 3054 C C . LEU B 1 76 ? 24.940 6.748 38.794 1.00 35.52 ? 299 LEU B C 1 ATOM 3055 O O . LEU B 1 76 ? 25.156 7.418 39.795 1.00 34.31 ? 299 LEU B O 1 ATOM 3056 C CB . LEU B 1 76 ? 22.604 5.990 38.520 1.00 38.20 ? 299 LEU B CB 1 ATOM 3057 C CG . LEU B 1 76 ? 21.462 4.983 38.607 1.00 38.70 ? 299 LEU B CG 1 ATOM 3058 C CD1 . LEU B 1 76 ? 20.143 5.714 38.459 1.00 36.68 ? 299 LEU B CD1 1 ATOM 3059 C CD2 . LEU B 1 76 ? 21.604 3.919 37.523 1.00 37.80 ? 299 LEU B CD2 1 ATOM 3060 N N . SER B 1 77 ? 25.481 7.024 37.612 1.00 32.99 ? 300 SER B N 1 ATOM 3061 C CA . SER B 1 77 ? 26.266 8.234 37.415 1.00 39.45 ? 300 SER B CA 1 ATOM 3062 C C . SER B 1 77 ? 25.333 9.434 37.315 1.00 40.85 ? 300 SER B C 1 ATOM 3063 O O . SER B 1 77 ? 24.169 9.295 36.937 1.00 37.22 ? 300 SER B O 1 ATOM 3064 C CB . SER B 1 77 ? 27.095 8.135 36.139 1.00 41.09 ? 300 SER B CB 1 ATOM 3065 O OG . SER B 1 77 ? 26.250 8.177 35.006 1.00 35.69 ? 300 SER B OG 1 ATOM 3066 N N . GLN B 1 78 ? 25.847 10.613 37.652 1.00 37.50 ? 301 GLN B N 1 ATOM 3067 C CA . GLN B 1 78 ? 25.071 11.839 37.527 1.00 32.27 ? 301 GLN B CA 1 ATOM 3068 C C . GLN B 1 78 ? 24.601 11.985 36.085 1.00 36.89 ? 301 GLN B C 1 ATOM 3069 O O . GLN B 1 78 ? 23.456 12.360 35.817 1.00 37.94 ? 301 GLN B O 1 ATOM 3070 C CB . GLN B 1 78 ? 25.920 13.047 37.939 1.00 37.10 ? 301 GLN B CB 1 ATOM 3071 C CG . GLN B 1 78 ? 25.266 14.395 37.694 1.00 38.90 ? 301 GLN B CG 1 ATOM 3072 C CD . GLN B 1 78 ? 26.168 15.562 38.069 1.00 41.12 ? 301 GLN B CD 1 ATOM 3073 O OE1 . GLN B 1 78 ? 26.666 16.283 37.200 1.00 34.43 ? 301 GLN B OE1 1 ATOM 3074 N NE2 . GLN B 1 78 ? 26.392 15.746 39.367 1.00 37.48 ? 301 GLN B NE2 1 ATOM 3075 N N . LYS B 1 79 ? 25.496 11.669 35.158 1.00 40.13 ? 302 LYS B N 1 ATOM 3076 C CA . LYS B 1 79 ? 25.187 11.773 33.739 1.00 42.31 ? 302 LYS B CA 1 ATOM 3077 C C . LYS B 1 79 ? 23.901 11.011 33.430 1.00 39.47 ? 302 LYS B C 1 ATOM 3078 O O . LYS B 1 79 ? 22.973 11.562 32.843 1.00 41.41 ? 302 LYS B O 1 ATOM 3079 C CB . LYS B 1 79 ? 26.346 11.236 32.897 1.00 42.94 ? 302 LYS B CB 1 ATOM 3080 C CG . LYS B 1 79 ? 26.241 11.584 31.418 1.00 64.39 ? 302 LYS B CG 1 ATOM 3081 C CD . LYS B 1 79 ? 27.460 11.118 30.630 1.00 79.64 ? 302 LYS B CD 1 ATOM 3082 C CE . LYS B 1 79 ? 27.373 9.644 30.259 1.00 93.49 ? 302 LYS B CE 1 ATOM 3083 N NZ . LYS B 1 79 ? 28.398 9.275 29.237 1.00 99.42 ? 302 LYS B NZ 1 ATOM 3084 N N . HIS B 1 80 ? 23.842 9.751 33.854 1.00 39.46 ? 303 HIS B N 1 ATOM 3085 C CA . HIS B 1 80 ? 22.694 8.899 33.556 1.00 43.87 ? 303 HIS B CA 1 ATOM 3086 C C . HIS B 1 80 ? 21.406 9.357 34.225 1.00 39.41 ? 303 HIS B C 1 ATOM 3087 O O . HIS B 1 80 ? 20.327 9.252 33.640 1.00 46.00 ? 303 HIS B O 1 ATOM 3088 C CB . HIS B 1 80 ? 22.983 7.436 33.898 1.00 51.27 ? 303 HIS B CB 1 ATOM 3089 C CG . HIS B 1 80 ? 23.914 6.770 32.936 1.00 59.50 ? 303 HIS B CG 1 ATOM 3090 N ND1 . HIS B 1 80 ? 24.597 5.612 33.236 1.00 67.29 ? 303 HIS B ND1 1 ATOM 3091 C CD2 . HIS B 1 80 ? 24.298 7.117 31.682 1.00 65.62 ? 303 HIS B CD2 1 ATOM 3092 C CE1 . HIS B 1 80 ? 25.348 5.264 32.206 1.00 71.60 ? 303 HIS B CE1 1 ATOM 3093 N NE2 . HIS B 1 80 ? 25.184 6.162 31.251 1.00 69.38 ? 303 HIS B NE2 1 ATOM 3094 N N . TRP B 1 81 ? 21.515 9.854 35.453 1.00 37.95 ? 304 TRP B N 1 ATOM 3095 C CA . TRP B 1 81 ? 20.356 10.385 36.158 1.00 35.48 ? 304 TRP B CA 1 ATOM 3096 C C . TRP B 1 81 ? 19.798 11.570 35.385 1.00 39.09 ? 304 TRP B C 1 ATOM 3097 O O . TRP B 1 81 ? 18.583 11.710 35.224 1.00 37.17 ? 304 TRP B O 1 ATOM 3098 C CB . TRP B 1 81 ? 20.757 10.821 37.571 1.00 30.40 ? 304 TRP B CB 1 ATOM 3099 C CG . TRP B 1 81 ? 19.606 11.185 38.477 1.00 31.53 ? 304 TRP B CG 1 ATOM 3100 C CD1 . TRP B 1 81 ? 19.406 12.382 39.104 1.00 31.25 ? 304 TRP B CD1 1 ATOM 3101 C CD2 . TRP B 1 81 ? 18.514 10.341 38.868 1.00 27.44 ? 304 TRP B CD2 1 ATOM 3102 N NE1 . TRP B 1 81 ? 18.254 12.339 39.854 1.00 29.04 ? 304 TRP B NE1 1 ATOM 3103 C CE2 . TRP B 1 81 ? 17.690 11.096 39.731 1.00 34.01 ? 304 TRP B CE2 1 ATOM 3104 C CE3 . TRP B 1 81 ? 18.150 9.021 38.569 1.00 32.94 ? 304 TRP B CE3 1 ATOM 3105 C CZ2 . TRP B 1 81 ? 16.521 10.579 40.291 1.00 33.52 ? 304 TRP B CZ2 1 ATOM 3106 C CZ3 . TRP B 1 81 ? 16.990 8.510 39.122 1.00 32.26 ? 304 TRP B CZ3 1 ATOM 3107 C CH2 . TRP B 1 81 ? 16.191 9.287 39.980 1.00 37.34 ? 304 TRP B CH2 1 ATOM 3108 N N . LEU B 1 82 ? 20.699 12.420 34.902 1.00 35.75 ? 305 LEU B N 1 ATOM 3109 C CA . LEU B 1 82 ? 20.314 13.659 34.230 1.00 46.20 ? 305 LEU B CA 1 ATOM 3110 C C . LEU B 1 82 ? 19.751 13.409 32.832 1.00 49.58 ? 305 LEU B C 1 ATOM 3111 O O . LEU B 1 82 ? 19.159 14.305 32.221 1.00 47.26 ? 305 LEU B O 1 ATOM 3112 C CB . LEU B 1 82 ? 21.506 14.614 34.144 1.00 47.70 ? 305 LEU B CB 1 ATOM 3113 C CG . LEU B 1 82 ? 22.031 15.232 35.443 1.00 50.76 ? 305 LEU B CG 1 ATOM 3114 C CD1 . LEU B 1 82 ? 23.302 16.035 35.174 1.00 55.88 ? 305 LEU B CD1 1 ATOM 3115 C CD2 . LEU B 1 82 ? 20.971 16.110 36.081 1.00 49.65 ? 305 LEU B CD2 1 ATOM 3116 N N . SER B 1 83 ? 19.938 12.195 32.329 1.00 43.32 ? 306 SER B N 1 ATOM 3117 C CA . SER B 1 83 ? 19.402 11.833 31.023 1.00 56.11 ? 306 SER B CA 1 ATOM 3118 C C . SER B 1 83 ? 17.917 11.498 31.135 1.00 58.48 ? 306 SER B C 1 ATOM 3119 O O . SER B 1 83 ? 17.277 11.136 30.148 1.00 50.53 ? 306 SER B O 1 ATOM 3120 C CB . SER B 1 83 ? 20.181 10.667 30.410 1.00 52.62 ? 306 SER B CB 1 ATOM 3121 O OG . SER B 1 83 ? 19.844 9.439 31.029 1.00 51.89 ? 306 SER B OG 1 ATOM 3122 N N . ASP B 1 84 ? 17.379 11.611 32.347 1.00 46.21 ? 307 ASP B N 1 ATOM 3123 C CA . ASP B 1 84 ? 15.936 11.498 32.570 1.00 45.78 ? 307 ASP B CA 1 ATOM 3124 C C . ASP B 1 84 ? 15.350 10.105 32.380 1.00 48.07 ? 307 ASP B C 1 ATOM 3125 O O . ASP B 1 84 ? 14.168 9.962 32.053 1.00 43.07 ? 307 ASP B O 1 ATOM 3126 C CB . ASP B 1 84 ? 15.178 12.499 31.696 1.00 49.07 ? 307 ASP B CB 1 ATOM 3127 C CG . ASP B 1 84 ? 14.755 13.730 32.465 1.00 61.37 ? 307 ASP B CG 1 ATOM 3128 O OD1 . ASP B 1 84 ? 14.351 13.573 33.636 1.00 58.93 ? 307 ASP B OD1 1 ATOM 3129 O OD2 . ASP B 1 84 ? 14.824 14.847 31.906 1.00 64.20 ? 307 ASP B OD2 1 ATOM 3130 N N . ARG B 1 85 ? 16.170 9.081 32.591 1.00 47.46 ? 308 ARG B N 1 ATOM 3131 C CA . ARG B 1 85 ? 15.703 7.706 32.479 1.00 46.39 ? 308 ARG B CA 1 ATOM 3132 C C . ARG B 1 85 ? 14.853 7.345 33.686 1.00 42.24 ? 308 ARG B C 1 ATOM 3133 O O . ARG B 1 85 ? 15.002 7.930 34.753 1.00 36.75 ? 308 ARG B O 1 ATOM 3134 C CB . ARG B 1 85 ? 16.888 6.748 32.340 1.00 52.55 ? 308 ARG B CB 1 ATOM 3135 C CG . ARG B 1 85 ? 17.579 6.854 30.993 1.00 69.79 ? 308 ARG B CG 1 ATOM 3136 C CD . ARG B 1 85 ? 18.958 6.211 30.996 1.00 78.71 ? 308 ARG B CD 1 ATOM 3137 N NE . ARG B 1 85 ? 19.677 6.510 29.759 1.00 89.98 ? 308 ARG B NE 1 ATOM 3138 C CZ . ARG B 1 85 ? 20.963 6.243 29.556 1.00 94.38 ? 308 ARG B CZ 1 ATOM 3139 N NH1 . ARG B 1 85 ? 21.682 5.667 30.510 1.00 93.19 ? 308 ARG B NH1 1 ATOM 3140 N NH2 . ARG B 1 85 ? 21.531 6.556 28.397 1.00 96.56 ? 308 ARG B NH2 1 ATOM 3141 N N . THR B 1 86 ? 13.952 6.387 33.512 1.00 41.31 ? 309 THR B N 1 ATOM 3142 C CA . THR B 1 86 ? 13.102 5.944 34.608 1.00 43.39 ? 309 THR B CA 1 ATOM 3143 C C . THR B 1 86 ? 13.595 4.623 35.170 1.00 42.39 ? 309 THR B C 1 ATOM 3144 O O . THR B 1 86 ? 13.887 3.698 34.417 1.00 41.68 ? 309 THR B O 1 ATOM 3145 C CB . THR B 1 86 ? 11.651 5.778 34.148 1.00 49.78 ? 309 THR B CB 1 ATOM 3146 O OG1 . THR B 1 86 ? 11.132 7.057 33.762 1.00 44.73 ? 309 THR B OG1 1 ATOM 3147 C CG2 . THR B 1 86 ? 10.797 5.188 35.275 1.00 40.22 ? 309 THR B CG2 1 ATOM 3148 N N . TYR B 1 87 ? 13.688 4.534 36.494 1.00 37.19 ? 310 TYR B N 1 ATOM 3149 C CA . TYR B 1 87 ? 14.151 3.310 37.135 1.00 37.82 ? 310 TYR B CA 1 ATOM 3150 C C . TYR B 1 87 ? 13.046 2.661 37.935 1.00 39.07 ? 310 TYR B C 1 ATOM 3151 O O . TYR B 1 87 ? 12.298 3.337 38.635 1.00 40.50 ? 310 TYR B O 1 ATOM 3152 C CB . TYR B 1 87 ? 15.387 3.589 37.992 1.00 39.33 ? 310 TYR B CB 1 ATOM 3153 C CG . TYR B 1 87 ? 16.500 4.121 37.136 1.00 35.94 ? 310 TYR B CG 1 ATOM 3154 C CD1 . TYR B 1 87 ? 16.608 5.474 36.884 1.00 32.31 ? 310 TYR B CD1 1 ATOM 3155 C CD2 . TYR B 1 87 ? 17.407 3.262 36.530 1.00 37.33 ? 310 TYR B CD2 1 ATOM 3156 C CE1 . TYR B 1 87 ? 17.602 5.968 36.079 1.00 33.14 ? 310 TYR B CE1 1 ATOM 3157 C CE2 . TYR B 1 87 ? 18.413 3.749 35.718 1.00 38.41 ? 310 TYR B CE2 1 ATOM 3158 C CZ . TYR B 1 87 ? 18.502 5.106 35.497 1.00 40.68 ? 310 TYR B CZ 1 ATOM 3159 O OH . TYR B 1 87 ? 19.491 5.617 34.688 1.00 42.66 ? 310 TYR B OH 1 ATOM 3160 N N . THR B 1 88 ? 12.944 1.342 37.806 1.00 37.75 ? 311 THR B N 1 ATOM 3161 C CA . THR B 1 88 ? 11.901 0.575 38.463 1.00 35.30 ? 311 THR B CA 1 ATOM 3162 C C . THR B 1 88 ? 12.500 -0.454 39.411 1.00 43.11 ? 311 THR B C 1 ATOM 3163 O O . THR B 1 88 ? 13.408 -1.197 39.047 1.00 41.79 ? 311 THR B O 1 ATOM 3164 C CB . THR B 1 88 ? 11.035 -0.172 37.434 1.00 41.62 ? 311 THR B CB 1 ATOM 3165 O OG1 . THR B 1 88 ? 10.489 0.765 36.500 1.00 44.93 ? 311 THR B OG1 1 ATOM 3166 C CG2 . THR B 1 88 ? 9.909 -0.911 38.128 1.00 41.73 ? 311 THR B CG2 1 ATOM 3167 N N . CYS B 1 89 ? 11.986 -0.488 40.632 1.00 39.45 ? 312 CYS B N 1 ATOM 3168 C CA . CYS B 1 89 ? 12.351 -1.521 41.581 1.00 34.58 ? 312 CYS B CA 1 ATOM 3169 C C . CYS B 1 89 ? 11.233 -2.552 41.592 1.00 35.36 ? 312 CYS B C 1 ATOM 3170 O O . CYS B 1 89 ? 10.097 -2.236 41.949 1.00 39.97 ? 312 CYS B O 1 ATOM 3171 C CB . CYS B 1 89 ? 12.528 -0.928 42.974 1.00 36.68 ? 312 CYS B CB 1 ATOM 3172 S SG . CYS B 1 89 ? 12.911 -2.154 44.223 1.00 40.99 ? 312 CYS B SG 1 ATOM 3173 N N . GLN B 1 90 ? 11.558 -3.776 41.187 1.00 40.41 ? 313 GLN B N 1 ATOM 3174 C CA . GLN B 1 90 ? 10.577 -4.852 41.059 1.00 42.18 ? 313 GLN B CA 1 ATOM 3175 C C . GLN B 1 90 ? 10.786 -5.942 42.098 1.00 42.28 ? 313 GLN B C 1 ATOM 3176 O O . GLN B 1 90 ? 11.827 -6.589 42.132 1.00 43.35 ? 313 GLN B O 1 ATOM 3177 C CB . GLN B 1 90 ? 10.648 -5.480 39.668 1.00 50.19 ? 313 GLN B CB 1 ATOM 3178 C CG . GLN B 1 90 ? 9.840 -4.770 38.608 1.00 63.29 ? 313 GLN B CG 1 ATOM 3179 C CD . GLN B 1 90 ? 9.607 -5.650 37.396 1.00 78.43 ? 313 GLN B CD 1 ATOM 3180 O OE1 . GLN B 1 90 ? 10.210 -6.716 37.265 1.00 79.90 ? 313 GLN B OE1 1 ATOM 3181 N NE2 . GLN B 1 90 ? 8.725 -5.211 36.507 1.00 83.27 ? 313 GLN B NE2 1 ATOM 3182 N N . VAL B 1 91 ? 9.779 -6.153 42.935 1.00 43.88 ? 314 VAL B N 1 ATOM 3183 C CA . VAL B 1 91 ? 9.876 -7.128 44.007 1.00 43.67 ? 314 VAL B CA 1 ATOM 3184 C C . VAL B 1 91 ? 8.950 -8.309 43.749 1.00 52.65 ? 314 VAL B C 1 ATOM 3185 O O . VAL B 1 91 ? 7.742 -8.137 43.596 1.00 58.30 ? 314 VAL B O 1 ATOM 3186 C CB . VAL B 1 91 ? 9.498 -6.504 45.361 1.00 44.32 ? 314 VAL B CB 1 ATOM 3187 C CG1 . VAL B 1 91 ? 9.685 -7.521 46.474 1.00 49.15 ? 314 VAL B CG1 1 ATOM 3188 C CG2 . VAL B 1 91 ? 10.327 -5.246 45.622 1.00 37.91 ? 314 VAL B CG2 1 ATOM 3189 N N . THR B 1 92 ? 9.517 -9.508 43.700 1.00 56.39 ? 315 THR B N 1 ATOM 3190 C CA . THR B 1 92 ? 8.715 -10.715 43.546 1.00 56.84 ? 315 THR B CA 1 ATOM 3191 C C . THR B 1 92 ? 8.644 -11.446 44.879 1.00 58.06 ? 315 THR B C 1 ATOM 3192 O O . THR B 1 92 ? 9.667 -11.871 45.417 1.00 56.59 ? 315 THR B O 1 ATOM 3193 C CB . THR B 1 92 ? 9.297 -11.656 42.480 1.00 63.10 ? 315 THR B CB 1 ATOM 3194 O OG1 . THR B 1 92 ? 9.674 -10.903 41.321 1.00 66.21 ? 315 THR B OG1 1 ATOM 3195 C CG2 . THR B 1 92 ? 8.271 -12.702 42.083 1.00 67.53 ? 315 THR B CG2 1 ATOM 3196 N N . TYR B 1 93 ? 7.434 -11.588 45.410 1.00 63.50 ? 316 TYR B N 1 ATOM 3197 C CA . TYR B 1 93 ? 7.243 -12.199 46.722 1.00 63.87 ? 316 TYR B CA 1 ATOM 3198 C C . TYR B 1 93 ? 6.065 -13.174 46.758 1.00 73.00 ? 316 TYR B C 1 ATOM 3199 O O . TYR B 1 93 ? 4.931 -12.805 46.452 1.00 69.08 ? 316 TYR B O 1 ATOM 3200 C CB . TYR B 1 93 ? 7.075 -11.114 47.787 1.00 55.38 ? 316 TYR B CB 1 ATOM 3201 C CG . TYR B 1 93 ? 6.670 -11.632 49.145 1.00 60.99 ? 316 TYR B CG 1 ATOM 3202 C CD1 . TYR B 1 93 ? 7.590 -12.255 49.980 1.00 66.07 ? 316 TYR B CD1 1 ATOM 3203 C CD2 . TYR B 1 93 ? 5.366 -11.488 49.598 1.00 64.26 ? 316 TYR B CD2 1 ATOM 3204 C CE1 . TYR B 1 93 ? 7.219 -12.724 51.226 1.00 71.59 ? 316 TYR B CE1 1 ATOM 3205 C CE2 . TYR B 1 93 ? 4.987 -11.951 50.839 1.00 62.44 ? 316 TYR B CE2 1 ATOM 3206 C CZ . TYR B 1 93 ? 5.914 -12.568 51.648 1.00 70.99 ? 316 TYR B CZ 1 ATOM 3207 O OH . TYR B 1 93 ? 5.525 -13.028 52.884 1.00 80.74 ? 316 TYR B OH 1 ATOM 3208 N N . GLN B 1 94 ? 6.358 -14.415 47.145 1.00 87.64 ? 317 GLN B N 1 ATOM 3209 C CA . GLN B 1 94 ? 5.375 -15.499 47.211 1.00 103.25 ? 317 GLN B CA 1 ATOM 3210 C C . GLN B 1 94 ? 4.240 -15.389 46.188 1.00 110.76 ? 317 GLN B C 1 ATOM 3211 O O . GLN B 1 94 ? 3.064 -15.325 46.550 1.00 111.50 ? 317 GLN B O 1 ATOM 3212 C CB . GLN B 1 94 ? 4.813 -15.652 48.631 1.00 109.71 ? 317 GLN B CB 1 ATOM 3213 C CG . GLN B 1 94 ? 3.878 -14.538 49.068 1.00 115.54 ? 317 GLN B CG 1 ATOM 3214 C CD . GLN B 1 94 ? 3.002 -14.941 50.238 1.00 121.32 ? 317 GLN B CD 1 ATOM 3215 O OE1 . GLN B 1 94 ? 3.457 -15.602 51.171 1.00 123.92 ? 317 GLN B OE1 1 ATOM 3216 N NE2 . GLN B 1 94 ? 1.736 -14.544 50.192 1.00 122.61 ? 317 GLN B NE2 1 ATOM 3217 N N . GLY B 1 95 ? 4.598 -15.378 44.908 0.0000 115.54 ? 318 GLY B N 1 ATOM 3218 C CA . GLY B 1 95 ? 3.604 -15.368 43.851 0.0000 122.36 ? 318 GLY B CA 1 ATOM 3219 C C . GLY B 1 95 ? 3.640 -14.131 42.977 0.0000 128.49 ? 318 GLY B C 1 ATOM 3220 O O . GLY B 1 95 ? 4.362 -14.085 41.981 0.0000 127.31 ? 318 GLY B O 1 ATOM 3221 N N . HIS B 1 96 ? 2.855 -13.125 43.348 0.0000 134.82 ? 319 HIS B N 1 ATOM 3222 C CA . HIS B 1 96 ? 2.746 -11.908 42.552 0.0000 137.05 ? 319 HIS B CA 1 ATOM 3223 C C . HIS B 1 96 ? 3.878 -10.929 42.841 0.0000 119.20 ? 319 HIS B C 1 ATOM 3224 O O . HIS B 1 96 ? 4.676 -11.137 43.755 0.0000 115.46 ? 319 HIS B O 1 ATOM 3225 C CB . HIS B 1 96 ? 1.388 -11.235 42.774 0.0000 153.12 ? 319 HIS B CB 1 ATOM 3226 C CG . HIS B 1 96 ? 0.222 -12.095 42.400 0.0000 168.26 ? 319 HIS B CG 1 ATOM 3227 N ND1 . HIS B 1 96 ? -0.743 -12.479 43.307 0.0000 173.99 ? 319 HIS B ND1 1 ATOM 3228 C CD2 . HIS B 1 96 ? -0.131 -12.655 41.218 0.0000 174.03 ? 319 HIS B CD2 1 ATOM 3229 C CE1 . HIS B 1 96 ? -1.642 -13.233 42.699 0.0000 178.03 ? 319 HIS B CE1 1 ATOM 3230 N NE2 . HIS B 1 96 ? -1.293 -13.355 41.431 0.0000 177.94 ? 319 HIS B NE2 1 ATOM 3231 N N . THR B 1 97 ? 3.940 -9.862 42.053 1.00 104.58 ? 320 THR B N 1 ATOM 3232 C CA . THR B 1 97 ? 5.017 -8.889 42.172 1.00 89.66 ? 320 THR B CA 1 ATOM 3233 C C . THR B 1 97 ? 4.515 -7.519 42.614 1.00 79.49 ? 320 THR B C 1 ATOM 3234 O O . THR B 1 97 ? 3.352 -7.168 42.409 1.00 80.00 ? 320 THR B O 1 ATOM 3235 C CB . THR B 1 97 ? 5.782 -8.729 40.846 1.00 83.73 ? 320 THR B CB 1 ATOM 3236 O OG1 . THR B 1 97 ? 4.931 -8.111 39.874 1.00 81.06 ? 320 THR B OG1 1 ATOM 3237 C CG2 . THR B 1 97 ? 6.246 -10.082 40.327 1.00 82.79 ? 320 THR B CG2 1 ATOM 3238 N N . PHE B 1 98 ? 5.413 -6.756 43.226 1.00 66.85 ? 321 PHE B N 1 ATOM 3239 C CA . PHE B 1 98 ? 5.139 -5.392 43.648 1.00 61.40 ? 321 PHE B CA 1 ATOM 3240 C C . PHE B 1 98 ? 6.217 -4.527 43.014 1.00 62.64 ? 321 PHE B C 1 ATOM 3241 O O . PHE B 1 98 ? 7.323 -5.002 42.774 1.00 66.79 ? 321 PHE B O 1 ATOM 3242 C CB . PHE B 1 98 ? 5.216 -5.287 45.172 1.00 62.86 ? 321 PHE B CB 1 ATOM 3243 C CG . PHE B 1 98 ? 4.457 -6.365 45.897 1.00 65.12 ? 321 PHE B CG 1 ATOM 3244 C CD1 . PHE B 1 98 ? 3.253 -6.085 46.524 1.00 67.78 ? 321 PHE B CD1 1 ATOM 3245 C CD2 . PHE B 1 98 ? 4.948 -7.660 45.952 1.00 67.09 ? 321 PHE B CD2 1 ATOM 3246 C CE1 . PHE B 1 98 ? 2.552 -7.076 47.192 1.00 67.11 ? 321 PHE B CE1 1 ATOM 3247 C CE2 . PHE B 1 98 ? 4.250 -8.657 46.616 1.00 67.43 ? 321 PHE B CE2 1 ATOM 3248 C CZ . PHE B 1 98 ? 3.053 -8.364 47.236 1.00 65.91 ? 321 PHE B CZ 1 ATOM 3249 N N . GLU B 1 99 ? 5.912 -3.267 42.728 1.00 57.75 ? 322 GLU B N 1 ATOM 3250 C CA . GLU B 1 99 ? 6.912 -2.412 42.099 1.00 56.24 ? 322 GLU B CA 1 ATOM 3251 C C . GLU B 1 99 ? 6.706 -0.923 42.348 1.00 52.04 ? 322 GLU B C 1 ATOM 3252 O O . GLU B 1 99 ? 5.608 -0.472 42.672 1.00 48.51 ? 322 GLU B O 1 ATOM 3253 C CB . GLU B 1 99 ? 6.974 -2.674 40.594 1.00 63.01 ? 322 GLU B CB 1 ATOM 3254 C CG . GLU B 1 99 ? 5.884 -1.980 39.803 1.00 68.37 ? 322 GLU B CG 1 ATOM 3255 C CD . GLU B 1 99 ? 6.052 -2.159 38.309 1.00 68.94 ? 322 GLU B CD 1 ATOM 3256 O OE1 . GLU B 1 99 ? 6.558 -3.223 37.892 1.00 66.60 ? 322 GLU B OE1 1 ATOM 3257 O OE2 . GLU B 1 99 ? 5.675 -1.237 37.553 1.00 69.73 ? 322 GLU B OE2 1 ATOM 3258 N N . ASP B 1 100 ? 7.786 -0.170 42.178 1.00 47.50 ? 323 ASP B N 1 ATOM 3259 C CA . ASP B 1 100 ? 7.757 1.276 42.300 1.00 43.62 ? 323 ASP B CA 1 ATOM 3260 C C . ASP B 1 100 ? 8.802 1.852 41.354 1.00 40.80 ? 323 ASP B C 1 ATOM 3261 O O . ASP B 1 100 ? 9.801 1.201 41.048 1.00 36.76 ? 323 ASP B O 1 ATOM 3262 C CB . ASP B 1 100 ? 8.046 1.694 43.740 1.00 52.81 ? 323 ASP B CB 1 ATOM 3263 C CG . ASP B 1 100 ? 7.424 3.024 44.096 1.00 61.17 ? 323 ASP B CG 1 ATOM 3264 O OD1 . ASP B 1 100 ? 6.965 3.734 43.177 1.00 68.33 ? 323 ASP B OD1 1 ATOM 3265 O OD2 . ASP B 1 100 ? 7.388 3.356 45.297 1.00 62.79 ? 323 ASP B OD2 1 ATOM 3266 N N . SER B 1 101 ? 8.565 3.066 40.878 1.00 38.83 ? 324 SER B N 1 ATOM 3267 C CA . SER B 1 101 ? 9.458 3.669 39.901 1.00 42.59 ? 324 SER B CA 1 ATOM 3268 C C . SER B 1 101 ? 9.814 5.092 40.288 1.00 35.85 ? 324 SER B C 1 ATOM 3269 O O . SER B 1 101 ? 9.104 5.734 41.063 1.00 40.11 ? 324 SER B O 1 ATOM 3270 C CB . SER B 1 101 ? 8.822 3.650 38.504 1.00 45.37 ? 324 SER B CB 1 ATOM 3271 O OG . SER B 1 101 ? 8.662 2.321 38.031 1.00 58.13 ? 324 SER B OG 1 ATOM 3272 N N . THR B 1 102 ? 10.919 5.577 39.739 1.00 31.89 ? 325 THR B N 1 ATOM 3273 C CA . THR B 1 102 ? 11.351 6.939 39.983 1.00 32.77 ? 325 THR B CA 1 ATOM 3274 C C . THR B 1 102 ? 12.155 7.456 38.809 1.00 36.22 ? 325 THR B C 1 ATOM 3275 O O . THR B 1 102 ? 12.749 6.686 38.047 1.00 37.51 ? 325 THR B O 1 ATOM 3276 C CB . THR B 1 102 ? 12.251 7.033 41.242 1.00 34.20 ? 325 THR B CB 1 ATOM 3277 O OG1 . THR B 1 102 ? 12.600 8.401 41.476 1.00 35.70 ? 325 THR B OG1 1 ATOM 3278 C CG2 . THR B 1 102 ? 13.534 6.236 41.039 1.00 29.52 ? 325 THR B CG2 1 ATOM 3279 N N . LYS B 1 103 ? 12.170 8.771 38.669 1.00 35.08 ? 326 LYS B N 1 ATOM 3280 C CA . LYS B 1 103 ? 13.121 9.432 37.793 1.00 29.85 ? 326 LYS B CA 1 ATOM 3281 C C . LYS B 1 103 ? 13.442 10.795 38.392 1.00 32.27 ? 326 LYS B C 1 ATOM 3282 O O . LYS B 1 103 ? 12.810 11.214 39.368 1.00 31.82 ? 326 LYS B O 1 ATOM 3283 C CB . LYS B 1 103 ? 12.568 9.558 36.369 1.00 31.67 ? 326 LYS B CB 1 ATOM 3284 C CG . LYS B 1 103 ? 11.540 10.643 36.177 1.00 36.08 ? 326 LYS B CG 1 ATOM 3285 C CD . LYS B 1 103 ? 11.144 10.731 34.709 1.00 41.11 ? 326 LYS B CD 1 ATOM 3286 C CE . LYS B 1 103 ? 10.862 12.156 34.311 1.00 53.49 ? 326 LYS B CE 1 ATOM 3287 N NZ . LYS B 1 103 ? 12.020 13.050 34.599 1.00 51.48 ? 326 LYS B NZ 1 ATOM 3288 N N . LYS B 1 104 ? 14.448 11.461 37.832 1.00 31.94 ? 327 LYS B N 1 ATOM 3289 C CA . LYS B 1 104 ? 14.791 12.827 38.217 1.00 31.52 ? 327 LYS B CA 1 ATOM 3290 C C . LYS B 1 104 ? 13.516 13.655 38.351 1.00 34.62 ? 327 LYS B C 1 ATOM 3291 O O . LYS B 1 104 ? 12.662 13.617 37.475 1.00 30.29 ? 327 LYS B O 1 ATOM 3292 C CB . LYS B 1 104 ? 15.685 13.436 37.138 1.00 44.79 ? 327 LYS B CB 1 ATOM 3293 C CG . LYS B 1 104 ? 16.187 14.834 37.417 1.00 50.15 ? 327 LYS B CG 1 ATOM 3294 C CD . LYS B 1 104 ? 16.768 15.460 36.150 1.00 57.97 ? 327 LYS B CD 1 ATOM 3295 C CE . LYS B 1 104 ? 15.697 16.191 35.337 1.00 65.28 ? 327 LYS B CE 1 ATOM 3296 N NZ . LYS B 1 104 ? 15.167 17.405 36.064 1.00 51.91 ? 327 LYS B NZ 1 ATOM 3297 N N . CYS B 1 105 ? 13.371 14.400 39.445 1.00 36.01 ? 328 CYS B N 1 ATOM 3298 C CA . CYS B 1 105 ? 12.194 15.256 39.586 1.00 36.05 ? 328 CYS B CA 1 ATOM 3299 C C . CYS B 1 105 ? 12.096 16.220 38.404 1.00 39.77 ? 328 CYS B C 1 ATOM 3300 O O . CYS B 1 105 ? 13.111 16.679 37.886 1.00 44.48 ? 328 CYS B O 1 ATOM 3301 C CB . CYS B 1 105 ? 12.243 16.019 40.907 1.00 37.78 ? 328 CYS B CB 1 ATOM 3302 S SG . CYS B 1 105 ? 12.128 14.925 42.330 1.00 44.81 ? 328 CYS B SG 1 ATOM 3303 N N . ALA B 1 106 ? 10.875 16.523 37.976 1.00 36.63 ? 329 ALA B N 1 ATOM 3304 C CA . ALA B 1 106 ? 10.675 17.427 36.848 1.00 43.32 ? 329 ALA B CA 1 ATOM 3305 C C . ALA B 1 106 ? 11.134 18.848 37.174 1.00 40.64 ? 329 ALA B C 1 ATOM 3306 O O . ALA B 1 106 ? 11.062 19.289 38.324 1.00 39.60 ? 329 ALA B O 1 ATOM 3307 C CB . ALA B 1 106 ? 9.213 17.422 36.418 1.00 47.30 ? 329 ALA B CB 1 ATOM 3308 N N . ASP B 1 107 ? 11.615 19.565 36.163 1.00 39.47 ? 330 ASP B N 1 ATOM 3309 C CA . ASP B 1 107 ? 12.008 20.959 36.357 1.00 48.80 ? 330 ASP B CA 1 ATOM 3310 C C . ASP B 1 107 ? 10.802 21.817 36.741 1.00 47.18 ? 330 ASP B C 1 ATOM 3311 O O . ASP B 1 107 ? 9.656 21.433 36.500 1.00 50.85 ? 330 ASP B O 1 ATOM 3312 C CB . ASP B 1 107 ? 12.701 21.521 35.109 1.00 49.00 ? 330 ASP B CB 1 ATOM 3313 C CG . ASP B 1 107 ? 14.206 21.284 35.117 1.00 52.09 ? 330 ASP B CG 1 ATOM 3314 O OD1 . ASP B 1 107 ? 14.915 21.902 34.293 1.00 46.04 ? 330 ASP B OD1 1 ATOM 3315 O OD2 . ASP B 1 107 ? 14.683 20.489 35.959 1.00 45.04 ? 330 ASP B OD2 1 ATOM 3316 N N . SER B 1 108 ? 11.072 22.976 37.336 1.00 48.50 ? 331 SER B N 1 ATOM 3317 C CA . SER B 1 108 ? 10.026 23.865 37.839 1.00 49.62 ? 331 SER B CA 1 ATOM 3318 C C . SER B 1 108 ? 9.015 24.264 36.777 1.00 61.63 ? 331 SER B C 1 ATOM 3319 O O . SER B 1 108 ? 7.821 24.002 36.916 1.00 74.09 ? 331 SER B O 1 ATOM 3320 C CB . SER B 1 108 ? 10.643 25.120 38.456 1.00 46.04 ? 331 SER B CB 1 ATOM 3321 O OG . SER B 1 108 ? 11.288 24.806 39.674 1.00 60.03 ? 331 SER B OG 1 ATOM 3322 N N . ASN B 1 109 ? 9.489 24.916 35.723 1.00 59.33 ? 332 ASN B N 1 ATOM 3323 C CA . ASN B 1 109 ? 8.606 25.309 34.638 1.00 77.55 ? 332 ASN B CA 1 ATOM 3324 C C . ASN B 1 109 ? 8.714 24.390 33.435 1.00 80.13 ? 332 ASN B C 1 ATOM 3325 O O . ASN B 1 109 ? 9.716 24.408 32.720 1.00 74.83 ? 332 ASN B O 1 ATOM 3326 C CB . ASN B 1 109 ? 8.851 26.758 34.221 1.00 91.42 ? 332 ASN B CB 1 ATOM 3327 C CG . ASN B 1 109 ? 7.885 27.721 34.877 1.00 96.15 ? 332 ASN B CG 1 ATOM 3328 O OD1 . ASN B 1 109 ? 7.079 28.360 34.203 1.00 97.76 ? 332 ASN B OD1 1 ATOM 3329 N ND2 . ASN B 1 109 ? 7.951 27.818 36.200 1.00 95.13 ? 332 ASN B ND2 1 ATOM 3330 N N . PRO B 1 110 ? 7.683 23.562 33.222 1.00 88.82 ? 333 PRO B N 1 ATOM 3331 C CA . PRO B 1 110 ? 7.594 22.770 31.996 1.00 90.84 ? 333 PRO B CA 1 ATOM 3332 C C . PRO B 1 110 ? 7.554 23.705 30.794 1.00 91.37 ? 333 PRO B C 1 ATOM 3333 O O . PRO B 1 110 ? 6.672 24.562 30.710 1.00 79.11 ? 333 PRO B O 1 ATOM 3334 C CB . PRO B 1 110 ? 6.261 22.037 32.155 1.00 94.66 ? 333 PRO B CB 1 ATOM 3335 C CG . PRO B 1 110 ? 6.052 21.957 33.630 1.00 94.59 ? 333 PRO B CG 1 ATOM 3336 C CD . PRO B 1 110 ? 6.603 23.243 34.170 1.00 91.82 ? 333 PRO B CD 1 ATOM 3337 N N . ARG B 1 111 ? 8.510 23.545 29.885 1.00 100.43 ? 334 ARG B N 1 ATOM 3338 C CA . ARG B 1 111 ? 8.631 24.428 28.729 1.00 105.56 ? 334 ARG B CA 1 ATOM 3339 C C . ARG B 1 111 ? 7.546 24.207 27.677 1.00 95.07 ? 334 ARG B C 1 ATOM 3340 O O . ARG B 1 111 ? 6.662 23.369 27.839 1.00 93.95 ? 334 ARG B O 1 ATOM 3341 C CB . ARG B 1 111 ? 10.017 24.304 28.097 1.00 113.17 ? 334 ARG B CB 1 ATOM 3342 C CG . ARG B 1 111 ? 11.124 24.939 28.921 1.00 123.34 ? 334 ARG B CG 1 ATOM 3343 C CD . ARG B 1 111 ? 12.397 25.054 28.107 1.00 129.77 ? 334 ARG B CD 1 ATOM 3344 N NE . ARG B 1 111 ? 12.164 25.767 26.855 1.00 132.57 ? 334 ARG B NE 1 ATOM 3345 C CZ . ARG B 1 111 ? 13.023 25.802 25.843 1.00 133.44 ? 334 ARG B CZ 1 ATOM 3346 N NH1 . ARG B 1 111 ? 14.179 25.157 25.928 1.00 133.68 ? 334 ARG B NH1 1 ATOM 3347 N NH2 . ARG B 1 111 ? 12.725 26.478 24.742 1.00 133.10 ? 334 ARG B NH2 1 ATOM 3348 N N . GLY B 1 112 ? 7.637 24.963 26.589 1.00 90.78 ? 335 GLY B N 1 ATOM 3349 C CA . GLY B 1 112 ? 6.567 25.035 25.612 1.00 85.64 ? 335 GLY B CA 1 ATOM 3350 C C . GLY B 1 112 ? 6.445 23.895 24.619 1.00 77.85 ? 335 GLY B C 1 ATOM 3351 O O . GLY B 1 112 ? 7.240 22.954 24.601 1.00 78.89 ? 335 GLY B O 1 ATOM 3352 N N . VAL B 1 113 ? 5.426 24.005 23.775 1.00 65.91 ? 336 VAL B N 1 ATOM 3353 C CA . VAL B 1 113 ? 5.115 22.997 22.775 1.00 54.85 ? 336 VAL B CA 1 ATOM 3354 C C . VAL B 1 113 ? 6.129 22.976 21.639 1.00 58.07 ? 336 VAL B C 1 ATOM 3355 O O . VAL B 1 113 ? 6.655 24.017 21.241 1.00 64.25 ? 336 VAL B O 1 ATOM 3356 C CB . VAL B 1 113 ? 3.734 23.259 22.169 1.00 57.44 ? 336 VAL B CB 1 ATOM 3357 C CG1 . VAL B 1 113 ? 3.297 22.079 21.316 1.00 53.46 ? 336 VAL B CG1 1 ATOM 3358 C CG2 . VAL B 1 113 ? 2.725 23.532 23.271 1.00 59.99 ? 336 VAL B CG2 1 ATOM 3359 N N . SER B 1 114 ? 6.403 21.782 21.125 1.00 49.16 ? 337 SER B N 1 ATOM 3360 C CA . SER B 1 114 ? 7.212 21.635 19.921 1.00 49.75 ? 337 SER B CA 1 ATOM 3361 C C . SER B 1 114 ? 6.586 20.602 18.986 1.00 46.47 ? 337 SER B C 1 ATOM 3362 O O . SER B 1 114 ? 5.820 19.739 19.422 1.00 44.12 ? 337 SER B O 1 ATOM 3363 C CB . SER B 1 114 ? 8.652 21.251 20.265 1.00 48.85 ? 337 SER B CB 1 ATOM 3364 O OG . SER B 1 114 ? 8.686 20.157 21.160 1.00 55.62 ? 337 SER B OG 1 ATOM 3365 N N . ALA B 1 115 ? 6.913 20.698 17.702 1.00 43.22 ? 338 ALA B N 1 ATOM 3366 C CA . ALA B 1 115 ? 6.346 19.798 16.707 1.00 46.60 ? 338 ALA B CA 1 ATOM 3367 C C . ALA B 1 115 ? 7.407 19.252 15.760 1.00 48.62 ? 338 ALA B C 1 ATOM 3368 O O . ALA B 1 115 ? 8.352 19.954 15.394 1.00 50.02 ? 338 ALA B O 1 ATOM 3369 C CB . ALA B 1 115 ? 5.252 20.500 15.925 1.00 39.55 ? 338 ALA B CB 1 ATOM 3370 N N . TYR B 1 116 ? 7.231 17.994 15.367 1.00 38.67 ? 339 TYR B N 1 ATOM 3371 C CA . TYR B 1 116 ? 8.158 17.309 14.475 1.00 41.63 ? 339 TYR B CA 1 ATOM 3372 C C . TYR B 1 116 ? 7.408 16.676 13.309 1.00 38.64 ? 339 TYR B C 1 ATOM 3373 O O . TYR B 1 116 ? 6.289 16.204 13.470 1.00 39.16 ? 339 TYR B O 1 ATOM 3374 C CB . TYR B 1 116 ? 8.912 16.233 15.247 1.00 35.50 ? 339 TYR B CB 1 ATOM 3375 C CG . TYR B 1 116 ? 9.479 16.737 16.551 1.00 43.49 ? 339 TYR B CG 1 ATOM 3376 C CD1 . TYR B 1 116 ? 10.768 17.249 16.615 1.00 46.41 ? 339 TYR B CD1 1 ATOM 3377 C CD2 . TYR B 1 116 ? 8.720 16.721 17.714 1.00 44.20 ? 339 TYR B CD2 1 ATOM 3378 C CE1 . TYR B 1 116 ? 11.290 17.721 17.804 1.00 53.14 ? 339 TYR B CE1 1 ATOM 3379 C CE2 . TYR B 1 116 ? 9.234 17.191 18.909 1.00 50.32 ? 339 TYR B CE2 1 ATOM 3380 C CZ . TYR B 1 116 ? 10.521 17.690 18.946 1.00 52.31 ? 339 TYR B CZ 1 ATOM 3381 O OH . TYR B 1 116 ? 11.042 18.158 20.130 1.00 61.74 ? 339 TYR B OH 1 ATOM 3382 N N . LEU B 1 117 ? 8.030 16.668 12.137 1.00 33.47 ? 340 LEU B N 1 ATOM 3383 C CA . LEU B 1 117 ? 7.410 16.086 10.951 1.00 31.51 ? 340 LEU B CA 1 ATOM 3384 C C . LEU B 1 117 ? 8.394 15.149 10.263 1.00 36.59 ? 340 LEU B C 1 ATOM 3385 O O . LEU B 1 117 ? 9.510 15.552 9.929 1.00 36.35 ? 340 LEU B O 1 ATOM 3386 C CB . LEU B 1 117 ? 6.974 17.195 9.995 1.00 32.72 ? 340 LEU B CB 1 ATOM 3387 C CG . LEU B 1 117 ? 6.368 16.784 8.652 1.00 31.92 ? 340 LEU B CG 1 ATOM 3388 C CD1 . LEU B 1 117 ? 5.144 15.904 8.867 1.00 31.60 ? 340 LEU B CD1 1 ATOM 3389 C CD2 . LEU B 1 117 ? 6.011 18.022 7.859 1.00 33.07 ? 340 LEU B CD2 1 ATOM 3390 N N . SER B 1 118 ? 7.989 13.897 10.067 1.00 29.89 ? 341 SER B N 1 ATOM 3391 C CA . SER B 1 118 ? 8.888 12.891 9.502 1.00 35.08 ? 341 SER B CA 1 ATOM 3392 C C . SER B 1 118 ? 8.547 12.536 8.063 1.00 38.73 ? 341 SER B C 1 ATOM 3393 O O . SER B 1 118 ? 7.381 12.555 7.673 1.00 40.79 ? 341 SER B O 1 ATOM 3394 C CB . SER B 1 118 ? 8.835 11.613 10.336 1.00 33.61 ? 341 SER B CB 1 ATOM 3395 O OG . SER B 1 118 ? 7.555 11.014 10.231 1.00 48.05 ? 341 SER B OG 1 ATOM 3396 N N . ARG B 1 119 ? 9.573 12.182 7.294 1.00 31.86 ? 342 ARG B N 1 ATOM 3397 C CA . ARG B 1 119 ? 9.396 11.670 5.938 1.00 32.90 ? 342 ARG B CA 1 ATOM 3398 C C . ARG B 1 119 ? 8.910 10.228 5.998 1.00 30.36 ? 342 ARG B C 1 ATOM 3399 O O . ARG B 1 119 ? 9.032 9.574 7.036 1.00 29.64 ? 342 ARG B O 1 ATOM 3400 C CB . ARG B 1 119 ? 10.720 11.741 5.163 1.00 34.22 ? 342 ARG B CB 1 ATOM 3401 C CG . ARG B 1 119 ? 11.247 13.161 4.954 1.00 34.80 ? 342 ARG B CG 1 ATOM 3402 C CD . ARG B 1 119 ? 12.467 13.182 4.023 1.00 43.87 ? 342 ARG B CD 1 ATOM 3403 N NE . ARG B 1 119 ? 13.616 12.533 4.640 1.00 46.36 ? 342 ARG B NE 1 ATOM 3404 C CZ . ARG B 1 119 ? 14.439 13.133 5.491 1.00 54.40 ? 342 ARG B CZ 1 ATOM 3405 N NH1 . ARG B 1 119 ? 14.239 14.405 5.823 1.00 53.17 ? 342 ARG B NH1 1 ATOM 3406 N NH2 . ARG B 1 119 ? 15.461 12.462 6.010 1.00 55.28 ? 342 ARG B NH2 1 ATOM 3407 N N . PRO B 1 120 ? 8.356 9.716 4.887 1.00 30.17 ? 343 PRO B N 1 ATOM 3408 C CA . PRO B 1 120 ? 7.954 8.306 4.870 1.00 25.39 ? 343 PRO B CA 1 ATOM 3409 C C . PRO B 1 120 ? 9.176 7.421 5.037 1.00 31.46 ? 343 PRO B C 1 ATOM 3410 O O . PRO B 1 120 ? 10.262 7.823 4.621 1.00 30.14 ? 343 PRO B O 1 ATOM 3411 C CB . PRO B 1 120 ? 7.403 8.117 3.451 1.00 27.50 ? 343 PRO B CB 1 ATOM 3412 C CG . PRO B 1 120 ? 7.047 9.486 2.989 1.00 25.17 ? 343 PRO B CG 1 ATOM 3413 C CD . PRO B 1 120 ? 8.018 10.410 3.633 1.00 30.62 ? 343 PRO B CD 1 ATOM 3414 N N . SER B 1 121 ? 9.020 6.241 5.624 1.00 26.75 ? 344 SER B N 1 ATOM 3415 C CA . SER B 1 121 ? 10.153 5.320 5.693 1.00 30.53 ? 344 SER B CA 1 ATOM 3416 C C . SER B 1 121 ? 10.281 4.591 4.365 1.00 24.98 ? 344 SER B C 1 ATOM 3417 O O . SER B 1 121 ? 9.280 4.338 3.697 1.00 27.01 ? 344 SER B O 1 ATOM 3418 C CB . SER B 1 121 ? 9.972 4.301 6.816 1.00 36.93 ? 344 SER B CB 1 ATOM 3419 O OG . SER B 1 121 ? 8.936 3.386 6.498 1.00 33.13 ? 344 SER B OG 1 ATOM 3420 N N . PRO B 1 122 ? 11.516 4.266 3.966 1.00 25.08 ? 345 PRO B N 1 ATOM 3421 C CA . PRO B 1 122 ? 11.723 3.450 2.767 1.00 26.88 ? 345 PRO B CA 1 ATOM 3422 C C . PRO B 1 122 ? 10.938 2.148 2.815 1.00 31.32 ? 345 PRO B C 1 ATOM 3423 O O . PRO B 1 122 ? 10.428 1.700 1.785 1.00 27.91 ? 345 PRO B O 1 ATOM 3424 C CB . PRO B 1 122 ? 13.232 3.186 2.791 1.00 25.95 ? 345 PRO B CB 1 ATOM 3425 C CG . PRO B 1 122 ? 13.786 4.448 3.422 1.00 27.95 ? 345 PRO B CG 1 ATOM 3426 C CD . PRO B 1 122 ? 12.789 4.750 4.529 1.00 26.09 ? 345 PRO B CD 1 ATOM 3427 N N . PHE B 1 123 ? 10.832 1.546 3.995 1.00 33.68 ? 346 PHE B N 1 ATOM 3428 C CA . PHE B 1 123 ? 10.048 0.327 4.124 1.00 31.99 ? 346 PHE B CA 1 ATOM 3429 C C . PHE B 1 123 ? 8.596 0.573 3.707 1.00 31.05 ? 346 PHE B C 1 ATOM 3430 O O . PHE B 1 123 ? 8.047 -0.170 2.898 1.00 31.08 ? 346 PHE B O 1 ATOM 3431 C CB . PHE B 1 123 ? 10.124 -0.235 5.547 1.00 34.89 ? 346 PHE B CB 1 ATOM 3432 C CG . PHE B 1 123 ? 9.294 -1.475 5.755 1.00 38.14 ? 346 PHE B CG 1 ATOM 3433 C CD1 . PHE B 1 123 ? 8.040 -1.393 6.340 1.00 43.57 ? 346 PHE B CD1 1 ATOM 3434 C CD2 . PHE B 1 123 ? 9.767 -2.718 5.367 1.00 45.08 ? 346 PHE B CD2 1 ATOM 3435 C CE1 . PHE B 1 123 ? 7.272 -2.533 6.536 1.00 45.74 ? 346 PHE B CE1 1 ATOM 3436 C CE2 . PHE B 1 123 ? 9.005 -3.861 5.558 1.00 46.62 ? 346 PHE B CE2 1 ATOM 3437 C CZ . PHE B 1 123 ? 7.756 -3.767 6.142 1.00 45.05 ? 346 PHE B CZ 1 ATOM 3438 N N . ASP B 1 124 ? 7.979 1.619 4.247 1.00 28.23 ? 347 ASP B N 1 ATOM 3439 C CA . ASP B 1 124 ? 6.588 1.927 3.897 1.00 33.27 ? 347 ASP B CA 1 ATOM 3440 C C . ASP B 1 124 ? 6.454 2.334 2.443 1.00 31.67 ? 347 ASP B C 1 ATOM 3441 O O . ASP B 1 124 ? 5.484 1.991 1.770 1.00 27.95 ? 347 ASP B O 1 ATOM 3442 C CB . ASP B 1 124 ? 6.036 3.042 4.784 1.00 32.42 ? 347 ASP B CB 1 ATOM 3443 C CG . ASP B 1 124 ? 5.781 2.578 6.198 1.00 35.19 ? 347 ASP B CG 1 ATOM 3444 O OD1 . ASP B 1 124 ? 5.777 1.350 6.415 1.00 34.83 ? 347 ASP B OD1 1 ATOM 3445 O OD2 . ASP B 1 124 ? 5.590 3.434 7.086 1.00 34.72 ? 347 ASP B OD2 1 ATOM 3446 N N . LEU B 1 125 ? 7.445 3.076 1.964 1.00 25.29 ? 348 LEU B N 1 ATOM 3447 C CA . LEU B 1 125 ? 7.429 3.577 0.607 1.00 28.96 ? 348 LEU B CA 1 ATOM 3448 C C . LEU B 1 125 ? 7.567 2.460 -0.427 1.00 32.08 ? 348 LEU B C 1 ATOM 3449 O O . LEU B 1 125 ? 6.869 2.460 -1.442 1.00 31.79 ? 348 LEU B O 1 ATOM 3450 C CB . LEU B 1 125 ? 8.540 4.612 0.436 1.00 26.78 ? 348 LEU B CB 1 ATOM 3451 C CG . LEU B 1 125 ? 8.488 5.516 -0.789 1.00 45.33 ? 348 LEU B CG 1 ATOM 3452 C CD1 . LEU B 1 125 ? 7.156 6.248 -0.850 1.00 33.89 ? 348 LEU B CD1 1 ATOM 3453 C CD2 . LEU B 1 125 ? 9.656 6.502 -0.755 1.00 47.07 ? 348 LEU B CD2 1 ATOM 3454 N N . PHE B 1 126 ? 8.455 1.504 -0.167 1.00 28.34 ? 349 PHE B N 1 ATOM 3455 C CA . PHE B 1 126 ? 8.811 0.513 -1.182 1.00 29.27 ? 349 PHE B CA 1 ATOM 3456 C C . PHE B 1 126 ? 8.384 -0.921 -0.885 1.00 36.42 ? 349 PHE B C 1 ATOM 3457 O O . PHE B 1 126 ? 8.193 -1.709 -1.808 1.00 43.85 ? 349 PHE B O 1 ATOM 3458 C CB . PHE B 1 126 ? 10.321 0.559 -1.463 1.00 32.96 ? 349 PHE B CB 1 ATOM 3459 C CG . PHE B 1 126 ? 10.810 1.918 -1.855 1.00 35.34 ? 349 PHE B CG 1 ATOM 3460 C CD1 . PHE B 1 126 ? 10.342 2.526 -3.008 1.00 31.84 ? 349 PHE B CD1 1 ATOM 3461 C CD2 . PHE B 1 126 ? 11.719 2.603 -1.065 1.00 30.51 ? 349 PHE B CD2 1 ATOM 3462 C CE1 . PHE B 1 126 ? 10.793 3.783 -3.377 1.00 29.94 ? 349 PHE B CE1 1 ATOM 3463 C CE2 . PHE B 1 126 ? 12.165 3.864 -1.428 1.00 30.26 ? 349 PHE B CE2 1 ATOM 3464 C CZ . PHE B 1 126 ? 11.696 4.455 -2.581 1.00 31.53 ? 349 PHE B CZ 1 ATOM 3465 N N . ILE B 1 127 ? 8.254 -1.274 0.388 1.00 30.67 ? 350 ILE B N 1 ATOM 3466 C CA . ILE B 1 127 ? 7.837 -2.633 0.719 1.00 34.00 ? 350 ILE B CA 1 ATOM 3467 C C . ILE B 1 127 ? 6.333 -2.707 0.970 1.00 37.28 ? 350 ILE B C 1 ATOM 3468 O O . ILE B 1 127 ? 5.629 -3.494 0.342 1.00 37.64 ? 350 ILE B O 1 ATOM 3469 C CB . ILE B 1 127 ? 8.595 -3.200 1.938 1.00 35.11 ? 350 ILE B CB 1 ATOM 3470 C CG1 . ILE B 1 127 ? 10.097 -3.270 1.649 1.00 36.63 ? 350 ILE B CG1 1 ATOM 3471 C CG2 . ILE B 1 127 ? 8.083 -4.588 2.281 1.00 41.10 ? 350 ILE B CG2 1 ATOM 3472 C CD1 . ILE B 1 127 ? 10.476 -4.328 0.638 1.00 47.68 ? 350 ILE B CD1 1 ATOM 3473 N N . ARG B 1 128 ? 5.845 -1.889 1.895 1.00 31.87 ? 351 ARG B N 1 ATOM 3474 C CA . ARG B 1 128 ? 4.420 -1.881 2.204 1.00 33.81 ? 351 ARG B CA 1 ATOM 3475 C C . ARG B 1 128 ? 3.652 -1.167 1.097 1.00 35.97 ? 351 ARG B C 1 ATOM 3476 O O . ARG B 1 128 ? 2.479 -1.453 0.857 1.00 38.49 ? 351 ARG B O 1 ATOM 3477 C CB . ARG B 1 128 ? 4.175 -1.206 3.556 1.00 34.49 ? 351 ARG B CB 1 ATOM 3478 C CG . ARG B 1 128 ? 2.731 -1.185 3.991 1.00 48.47 ? 351 ARG B CG 1 ATOM 3479 C CD . ARG B 1 128 ? 2.600 -0.581 5.377 1.00 56.98 ? 351 ARG B CD 1 ATOM 3480 N NE . ARG B 1 128 ? 3.309 -1.367 6.381 1.00 59.20 ? 351 ARG B NE 1 ATOM 3481 C CZ . ARG B 1 128 ? 3.422 -1.015 7.657 1.00 64.22 ? 351 ARG B CZ 1 ATOM 3482 N NH1 . ARG B 1 128 ? 2.877 0.118 8.084 1.00 67.74 ? 351 ARG B NH1 1 ATOM 3483 N NH2 . ARG B 1 128 ? 4.079 -1.793 8.506 1.00 58.37 ? 351 ARG B NH2 1 ATOM 3484 N N . LYS B 1 129 ? 4.336 -0.244 0.425 1.00 31.82 ? 352 LYS B N 1 ATOM 3485 C CA . LYS B 1 129 ? 3.752 0.592 -0.627 1.00 38.69 ? 352 LYS B CA 1 ATOM 3486 C C . LYS B 1 129 ? 2.562 1.404 -0.118 1.00 36.16 ? 352 LYS B C 1 ATOM 3487 O O . LYS B 1 129 ? 1.580 1.613 -0.838 1.00 34.82 ? 352 LYS B O 1 ATOM 3488 C CB . LYS B 1 129 ? 3.365 -0.242 -1.847 1.00 40.92 ? 352 LYS B CB 1 ATOM 3489 C CG . LYS B 1 129 ? 4.543 -0.954 -2.503 1.00 39.92 ? 352 LYS B CG 1 ATOM 3490 C CD . LYS B 1 129 ? 4.058 -1.935 -3.554 1.00 50.10 ? 352 LYS B CD 1 ATOM 3491 C CE . LYS B 1 129 ? 5.147 -2.931 -3.944 1.00 62.88 ? 352 LYS B CE 1 ATOM 3492 N NZ . LYS B 1 129 ? 6.099 -2.377 -4.943 1.00 65.27 ? 352 LYS B NZ 1 ATOM 3493 N N . SER B 1 130 ? 2.670 1.841 1.132 1.00 30.56 ? 353 SER B N 1 ATOM 3494 C CA . SER B 1 130 ? 1.709 2.741 1.758 1.00 27.86 ? 353 SER B CA 1 ATOM 3495 C C . SER B 1 130 ? 2.473 3.782 2.556 1.00 22.27 ? 353 SER B C 1 ATOM 3496 O O . SER B 1 130 ? 2.518 3.710 3.779 1.00 29.49 ? 353 SER B O 1 ATOM 3497 C CB . SER B 1 130 ? 0.793 1.974 2.717 1.00 42.61 ? 353 SER B CB 1 ATOM 3498 O OG . SER B 1 130 ? -0.123 1.159 2.020 1.00 57.15 ? 353 SER B OG 1 ATOM 3499 N N . PRO B 1 131 ? 3.104 4.745 1.870 1.00 28.48 ? 354 PRO B N 1 ATOM 3500 C CA . PRO B 1 131 ? 3.881 5.739 2.611 1.00 27.22 ? 354 PRO B CA 1 ATOM 3501 C C . PRO B 1 131 ? 2.993 6.691 3.417 1.00 27.82 ? 354 PRO B C 1 ATOM 3502 O O . PRO B 1 131 ? 1.913 7.057 2.964 1.00 24.58 ? 354 PRO B O 1 ATOM 3503 C CB . PRO B 1 131 ? 4.584 6.516 1.491 1.00 25.81 ? 354 PRO B CB 1 ATOM 3504 C CG . PRO B 1 131 ? 3.671 6.359 0.317 1.00 23.99 ? 354 PRO B CG 1 ATOM 3505 C CD . PRO B 1 131 ? 3.250 4.924 0.415 1.00 24.63 ? 354 PRO B CD 1 ATOM 3506 N N . THR B 1 132 ? 3.458 7.095 4.595 1.00 25.30 ? 355 THR B N 1 ATOM 3507 C CA . THR B 1 132 ? 2.784 8.120 5.367 1.00 26.72 ? 355 THR B CA 1 ATOM 3508 C C . THR B 1 132 ? 3.811 9.081 5.925 1.00 26.58 ? 355 THR B C 1 ATOM 3509 O O . THR B 1 132 ? 4.998 8.753 6.017 1.00 29.24 ? 355 THR B O 1 ATOM 3510 C CB . THR B 1 132 ? 2.024 7.535 6.576 1.00 27.36 ? 355 THR B CB 1 ATOM 3511 O OG1 . THR B 1 132 ? 2.971 7.030 7.528 1.00 31.91 ? 355 THR B OG1 1 ATOM 3512 C CG2 . THR B 1 132 ? 1.072 6.415 6.151 1.00 27.55 ? 355 THR B CG2 1 ATOM 3513 N N . ILE B 1 133 ? 3.352 10.266 6.305 1.00 23.17 ? 356 ILE B N 1 ATOM 3514 C CA . ILE B 1 133 ? 4.180 11.183 7.072 1.00 21.02 ? 356 ILE B CA 1 ATOM 3515 C C . ILE B 1 133 ? 3.491 11.463 8.395 1.00 28.84 ? 356 ILE B C 1 ATOM 3516 O O . ILE B 1 133 ? 2.258 11.420 8.490 1.00 27.42 ? 356 ILE B O 1 ATOM 3517 C CB . ILE B 1 133 ? 4.474 12.499 6.325 1.00 27.54 ? 356 ILE B CB 1 ATOM 3518 C CG1 . ILE B 1 133 ? 3.175 13.168 5.871 1.00 23.46 ? 356 ILE B CG1 1 ATOM 3519 C CG2 . ILE B 1 133 ? 5.410 12.248 5.131 1.00 31.59 ? 356 ILE B CG2 1 ATOM 3520 C CD1 . ILE B 1 133 ? 3.396 14.480 5.177 1.00 28.23 ? 356 ILE B CD1 1 ATOM 3521 N N . THR B 1 134 ? 4.286 11.749 9.418 1.00 23.10 ? 357 THR B N 1 ATOM 3522 C CA . THR B 1 134 ? 3.739 11.936 10.754 1.00 26.97 ? 357 THR B CA 1 ATOM 3523 C C . THR B 1 134 ? 4.125 13.264 11.387 1.00 33.01 ? 357 THR B C 1 ATOM 3524 O O . THR B 1 134 ? 5.298 13.619 11.458 1.00 29.21 ? 357 THR B O 1 ATOM 3525 C CB . THR B 1 134 ? 4.134 10.789 11.700 1.00 30.81 ? 357 THR B CB 1 ATOM 3526 O OG1 . THR B 1 134 ? 3.508 9.579 11.263 1.00 35.40 ? 357 THR B OG1 1 ATOM 3527 C CG2 . THR B 1 134 ? 3.680 11.098 13.130 1.00 34.01 ? 357 THR B CG2 1 ATOM 3528 N N . CYS B 1 135 ? 3.113 13.993 11.842 1.00 29.45 ? 358 CYS B N 1 ATOM 3529 C CA . CYS B 1 135 ? 3.323 15.232 12.569 1.00 31.19 ? 358 CYS B CA 1 ATOM 3530 C C . CYS B 1 135 ? 3.100 14.965 14.049 1.00 34.68 ? 358 CYS B C 1 ATOM 3531 O O . CYS B 1 135 ? 1.999 14.585 14.470 1.00 32.77 ? 358 CYS B O 1 ATOM 3532 C CB . CYS B 1 135 ? 2.364 16.311 12.074 1.00 31.07 ? 358 CYS B CB 1 ATOM 3533 S SG . CYS B 1 135 ? 2.783 17.987 12.633 1.00 39.54 ? 358 CYS B SG 1 ATOM 3534 N N . LEU B 1 136 ? 4.150 15.168 14.836 1.00 33.34 ? 359 LEU B N 1 ATOM 3535 C CA . LEU B 1 136 ? 4.117 14.875 16.259 1.00 35.25 ? 359 LEU B CA 1 ATOM 3536 C C . LEU B 1 136 ? 4.187 16.166 17.059 1.00 36.75 ? 359 LEU B C 1 ATOM 3537 O O . LEU B 1 136 ? 5.122 16.945 16.899 1.00 39.87 ? 359 LEU B O 1 ATOM 3538 C CB . LEU B 1 136 ? 5.304 13.978 16.629 1.00 39.10 ? 359 LEU B CB 1 ATOM 3539 C CG . LEU B 1 136 ? 5.535 13.736 18.120 1.00 45.54 ? 359 LEU B CG 1 ATOM 3540 C CD1 . LEU B 1 136 ? 4.299 13.097 18.761 1.00 40.28 ? 359 LEU B CD1 1 ATOM 3541 C CD2 . LEU B 1 136 ? 6.782 12.884 18.358 1.00 42.17 ? 359 LEU B CD2 1 ATOM 3542 N N . VAL B 1 137 ? 3.203 16.391 17.922 1.00 34.62 ? 360 VAL B N 1 ATOM 3543 C CA . VAL B 1 137 ? 3.192 17.583 18.757 1.00 36.79 ? 360 VAL B CA 1 ATOM 3544 C C . VAL B 1 137 ? 3.409 17.181 20.207 1.00 41.49 ? 360 VAL B C 1 ATOM 3545 O O . VAL B 1 137 ? 2.665 16.357 20.744 1.00 42.31 ? 360 VAL B O 1 ATOM 3546 C CB . VAL B 1 137 ? 1.865 18.352 18.639 1.00 40.52 ? 360 VAL B CB 1 ATOM 3547 C CG1 . VAL B 1 137 ? 1.857 19.542 19.590 1.00 45.81 ? 360 VAL B CG1 1 ATOM 3548 C CG2 . VAL B 1 137 ? 1.635 18.805 17.203 1.00 44.11 ? 360 VAL B CG2 1 ATOM 3549 N N . VAL B 1 138 ? 4.422 17.759 20.844 1.00 39.06 ? 361 VAL B N 1 ATOM 3550 C CA . VAL B 1 138 ? 4.783 17.343 22.199 1.00 41.42 ? 361 VAL B CA 1 ATOM 3551 C C . VAL B 1 138 ? 4.747 18.468 23.228 1.00 60.32 ? 361 VAL B C 1 ATOM 3552 O O . VAL B 1 138 ? 4.685 19.647 22.878 1.00 61.88 ? 361 VAL B O 1 ATOM 3553 C CB . VAL B 1 138 ? 6.190 16.712 22.237 1.00 49.19 ? 361 VAL B CB 1 ATOM 3554 C CG1 . VAL B 1 138 ? 6.235 15.453 21.392 1.00 54.89 ? 361 VAL B CG1 1 ATOM 3555 C CG2 . VAL B 1 138 ? 7.222 17.709 21.763 1.00 61.46 ? 361 VAL B CG2 1 ATOM 3556 N N . ASP B 1 139 ? 4.790 18.075 24.500 1.00 71.04 ? 362 ASP B N 1 ATOM 3557 C CA . ASP B 1 139 ? 4.891 18.999 25.633 1.00 69.72 ? 362 ASP B CA 1 ATOM 3558 C C . ASP B 1 139 ? 3.660 19.880 25.839 1.00 64.81 ? 362 ASP B C 1 ATOM 3559 O O . ASP B 1 139 ? 3.741 20.947 26.445 1.00 56.33 ? 362 ASP B O 1 ATOM 3560 C CB . ASP B 1 139 ? 6.160 19.855 25.531 1.00 75.97 ? 362 ASP B CB 1 ATOM 3561 C CG . ASP B 1 139 ? 7.363 19.198 26.191 1.00 70.06 ? 362 ASP B CG 1 ATOM 3562 O OD1 . ASP B 1 139 ? 8.477 19.294 25.632 1.00 69.28 ? 362 ASP B OD1 1 ATOM 3563 O OD2 . ASP B 1 139 ? 7.188 18.581 27.265 1.00 58.78 ? 362 ASP B OD2 1 ATOM 3564 N N . LEU B 1 140 ? 2.520 19.423 25.343 1.00 64.08 ? 363 LEU B N 1 ATOM 3565 C CA . LEU B 1 140 ? 1.279 20.156 25.521 1.00 73.52 ? 363 LEU B CA 1 ATOM 3566 C C . LEU B 1 140 ? 0.821 20.128 26.972 1.00 86.06 ? 363 LEU B C 1 ATOM 3567 O O . LEU B 1 140 ? 0.988 19.126 27.667 1.00 90.13 ? 363 LEU B O 1 ATOM 3568 C CB . LEU B 1 140 ? 0.192 19.570 24.628 1.00 68.37 ? 363 LEU B CB 1 ATOM 3569 C CG . LEU B 1 140 ? 0.356 19.930 23.157 1.00 68.74 ? 363 LEU B CG 1 ATOM 3570 C CD1 . LEU B 1 140 ? -0.478 19.003 22.290 1.00 58.69 ? 363 LEU B CD1 1 ATOM 3571 C CD2 . LEU B 1 140 ? -0.019 21.391 22.947 1.00 74.03 ? 363 LEU B CD2 1 ATOM 3572 N N . ALA B 1 141 ? 0.250 21.240 27.422 1.00 88.02 ? 364 ALA B N 1 ATOM 3573 C CA . ALA B 1 141 ? -0.365 21.308 28.738 1.00 84.48 ? 364 ALA B CA 1 ATOM 3574 C C . ALA B 1 141 ? -1.870 21.095 28.590 1.00 95.95 ? 364 ALA B C 1 ATOM 3575 O O . ALA B 1 141 ? -2.565 21.916 27.993 1.00 92.47 ? 364 ALA B O 1 ATOM 3576 C CB . ALA B 1 141 ? -0.066 22.641 29.393 1.00 79.97 ? 364 ALA B CB 1 ATOM 3577 N N . PRO B 1 142 ? -2.372 19.977 29.130 1.00 111.36 ? 365 PRO B N 1 ATOM 3578 C CA . PRO B 1 142 ? -3.756 19.511 28.980 1.00 121.01 ? 365 PRO B CA 1 ATOM 3579 C C . PRO B 1 142 ? -4.823 20.532 29.376 1.00 129.41 ? 365 PRO B C 1 ATOM 3580 O O . PRO B 1 142 ? -4.513 21.619 29.865 1.00 128.36 ? 365 PRO B O 1 ATOM 3581 C CB . PRO B 1 142 ? -3.822 18.311 29.930 1.00 121.33 ? 365 PRO B CB 1 ATOM 3582 C CG . PRO B 1 142 ? -2.423 17.824 30.019 1.00 120.00 ? 365 PRO B CG 1 ATOM 3583 C CD . PRO B 1 142 ? -1.563 19.049 29.939 1.00 117.15 ? 365 PRO B CD 1 ATOM 3584 N N . SER B 1 143 ? -6.079 20.159 29.141 1.00 137.65 ? 366 SER B N 1 ATOM 3585 C CA . SER B 1 143 ? -7.242 20.906 29.617 1.00 145.98 ? 366 SER B CA 1 ATOM 3586 C C . SER B 1 143 ? -7.285 22.372 29.186 1.00 149.83 ? 366 SER B C 1 ATOM 3587 O O . SER B 1 143 ? -7.912 23.200 29.847 1.00 152.81 ? 366 SER B O 1 ATOM 3588 C CB . SER B 1 143 ? -7.361 20.798 31.141 1.00 149.64 ? 366 SER B CB 1 ATOM 3589 O OG . SER B 1 143 ? -7.569 19.454 31.541 1.00 149.71 ? 366 SER B OG 1 ATOM 3590 N N . LYS B 1 144 ? -6.625 22.687 28.077 0.0000 147.29 ? 367 LYS B N 1 ATOM 3591 C CA . LYS B 1 144 ? -6.689 24.032 27.518 0.0000 143.89 ? 367 LYS B CA 1 ATOM 3592 C C . LYS B 1 144 ? -7.609 24.057 26.306 0.0000 139.20 ? 367 LYS B C 1 ATOM 3593 O O . LYS B 1 144 ? -8.823 23.883 26.426 0.0000 139.02 ? 367 LYS B O 1 ATOM 3594 C CB . LYS B 1 144 ? -5.300 24.516 27.108 0.0000 140.93 ? 367 LYS B CB 1 ATOM 3595 C CG . LYS B 1 144 ? -4.359 24.798 28.259 0.0000 139.81 ? 367 LYS B CG 1 ATOM 3596 C CD . LYS B 1 144 ? -3.031 25.302 27.733 0.0000 139.38 ? 367 LYS B CD 1 ATOM 3597 C CE . LYS B 1 144 ? -1.998 25.400 28.837 0.0000 143.30 ? 367 LYS B CE 1 ATOM 3598 N NZ . LYS B 1 144 ? -0.625 25.538 28.278 0.0000 144.80 ? 367 LYS B NZ 1 ATOM 3599 N N . GLY B 1 145 ? -7.016 24.278 25.138 1.00 132.77 ? 368 GLY B N 1 ATOM 3600 C CA . GLY B 1 145 ? -7.752 24.264 23.890 1.00 125.28 ? 368 GLY B CA 1 ATOM 3601 C C . GLY B 1 145 ? -7.844 22.860 23.330 1.00 118.40 ? 368 GLY B C 1 ATOM 3602 O O . GLY B 1 145 ? -8.437 21.975 23.947 1.00 117.25 ? 368 GLY B O 1 ATOM 3603 N N . THR B 1 146 ? -7.247 22.647 22.163 1.00 111.10 ? 369 THR B N 1 ATOM 3604 C CA . THR B 1 146 ? -7.327 21.351 21.504 1.00 101.22 ? 369 THR B CA 1 ATOM 3605 C C . THR B 1 146 ? -6.154 21.113 20.566 1.00 92.91 ? 369 THR B C 1 ATOM 3606 O O . THR B 1 146 ? -5.946 19.996 20.099 1.00 99.23 ? 369 THR B O 1 ATOM 3607 C CB . THR B 1 146 ? -8.645 21.212 20.715 1.00 100.87 ? 369 THR B CB 1 ATOM 3608 O OG1 . THR B 1 146 ? -9.748 21.227 21.627 1.00 104.55 ? 369 THR B OG1 1 ATOM 3609 C CG2 . THR B 1 146 ? -8.674 19.913 19.917 1.00 96.85 ? 369 THR B CG2 1 ATOM 3610 N N . VAL B 1 147 ? -5.377 22.157 20.301 1.00 79.58 ? 370 VAL B N 1 ATOM 3611 C CA . VAL B 1 147 ? -4.314 22.065 19.309 1.00 64.84 ? 370 VAL B CA 1 ATOM 3612 C C . VAL B 1 147 ? -4.530 21.734 17.840 1.00 56.14 ? 370 VAL B C 1 ATOM 3613 O O . VAL B 1 147 ? -4.106 20.684 17.356 1.00 48.36 ? 370 VAL B O 1 ATOM 3614 C CB . VAL B 1 147 ? -3.288 20.973 19.664 1.00 55.71 ? 370 VAL B CB 1 ATOM 3615 C CG1 . VAL B 1 147 ? -2.153 20.950 18.649 1.00 53.60 ? 370 VAL B CG1 1 ATOM 3616 C CG2 . VAL B 1 147 ? -2.753 21.197 21.057 1.00 58.43 ? 370 VAL B CG2 1 ATOM 3617 N N . GLN B 1 148 ? -5.215 22.615 17.130 1.00 54.42 ? 371 GLN B N 1 ATOM 3618 C CA . GLN B 1 148 ? -5.367 22.409 15.705 1.00 52.18 ? 371 GLN B CA 1 ATOM 3619 C C . GLN B 1 148 ? -4.192 21.981 14.838 1.00 45.07 ? 371 GLN B C 1 ATOM 3620 O O . GLN B 1 148 ? -3.127 22.593 14.873 1.00 42.05 ? 371 GLN B O 1 ATOM 3621 C CB . GLN B 1 148 ? -6.100 23.606 15.109 1.00 63.91 ? 371 GLN B CB 1 ATOM 3622 C CG . GLN B 1 148 ? -7.137 23.189 14.086 1.00 78.94 ? 371 GLN B CG 1 ATOM 3623 C CD . GLN B 1 148 ? -7.838 21.898 14.481 1.00 87.78 ? 371 GLN B CD 1 ATOM 3624 O OE1 . GLN B 1 148 ? -8.426 21.802 15.562 1.00 90.55 ? 371 GLN B OE1 1 ATOM 3625 N NE2 . GLN B 1 148 ? -7.773 20.897 13.608 1.00 84.18 ? 371 GLN B NE2 1 ATOM 3626 N N . LEU B 1 149 ? -4.393 20.910 14.079 1.00 42.45 ? 372 LEU B N 1 ATOM 3627 C CA . LEU B 1 149 ? -3.341 20.347 13.247 1.00 40.23 ? 372 LEU B CA 1 ATOM 3628 C C . LEU B 1 149 ? -3.893 20.182 11.838 1.00 38.64 ? 372 LEU B C 1 ATOM 3629 O O . LEU B 1 149 ? -4.822 19.407 11.618 1.00 40.65 ? 372 LEU B O 1 ATOM 3630 C CB . LEU B 1 149 ? -2.913 19.000 13.828 1.00 45.18 ? 372 LEU B CB 1 ATOM 3631 C CG . LEU B 1 149 ? -1.556 18.430 13.435 1.00 40.63 ? 372 LEU B CG 1 ATOM 3632 C CD1 . LEU B 1 149 ? -1.063 17.438 14.497 1.00 37.10 ? 372 LEU B CD1 1 ATOM 3633 C CD2 . LEU B 1 149 ? -1.635 17.789 12.061 1.00 36.20 ? 372 LEU B CD2 1 ATOM 3634 N N . THR B 1 150 ? -3.351 20.945 10.894 1.00 33.75 ? 373 THR B N 1 ATOM 3635 C CA . THR B 1 150 ? -3.873 20.947 9.527 1.00 31.16 ? 373 THR B CA 1 ATOM 3636 C C . THR B 1 150 ? -2.796 20.627 8.494 1.00 31.08 ? 373 THR B C 1 ATOM 3637 O O . THR B 1 150 ? -1.700 21.187 8.524 1.00 29.21 ? 373 THR B O 1 ATOM 3638 C CB . THR B 1 150 ? -4.537 22.296 9.186 1.00 37.15 ? 373 THR B CB 1 ATOM 3639 O OG1 . THR B 1 150 ? -5.571 22.565 10.141 1.00 37.58 ? 373 THR B OG1 1 ATOM 3640 C CG2 . THR B 1 150 ? -5.149 22.264 7.795 1.00 38.14 ? 373 THR B CG2 1 ATOM 3641 N N . TRP B 1 151 ? -3.120 19.727 7.574 1.00 30.67 ? 374 TRP B N 1 ATOM 3642 C CA . TRP B 1 151 ? -2.176 19.332 6.539 1.00 27.00 ? 374 TRP B CA 1 ATOM 3643 C C . TRP B 1 151 ? -2.461 20.059 5.249 1.00 30.58 ? 374 TRP B C 1 ATOM 3644 O O . TRP B 1 151 ? -3.614 20.340 4.938 1.00 27.78 ? 374 TRP B O 1 ATOM 3645 C CB . TRP B 1 151 ? -2.301 17.843 6.259 1.00 26.04 ? 374 TRP B CB 1 ATOM 3646 C CG . TRP B 1 151 ? -1.855 16.964 7.367 1.00 31.52 ? 374 TRP B CG 1 ATOM 3647 C CD1 . TRP B 1 151 ? -2.640 16.362 8.307 1.00 35.52 ? 374 TRP B CD1 1 ATOM 3648 C CD2 . TRP B 1 151 ? -0.516 16.552 7.634 1.00 28.45 ? 374 TRP B CD2 1 ATOM 3649 N NE1 . TRP B 1 151 ? -1.867 15.599 9.147 1.00 33.10 ? 374 TRP B NE1 1 ATOM 3650 C CE2 . TRP B 1 151 ? -0.558 15.698 8.753 1.00 27.22 ? 374 TRP B CE2 1 ATOM 3651 C CE3 . TRP B 1 151 ? 0.717 16.819 7.033 1.00 28.12 ? 374 TRP B CE3 1 ATOM 3652 C CZ2 . TRP B 1 151 ? 0.587 15.114 9.292 1.00 29.83 ? 374 TRP B CZ2 1 ATOM 3653 C CZ3 . TRP B 1 151 ? 1.858 16.236 7.570 1.00 31.14 ? 374 TRP B CZ3 1 ATOM 3654 C CH2 . TRP B 1 151 ? 1.782 15.392 8.687 1.00 31.13 ? 374 TRP B CH2 1 ATOM 3655 N N . SER B 1 152 ? -1.415 20.328 4.478 1.00 27.13 ? 375 SER B N 1 ATOM 3656 C CA . SER B 1 152 ? -1.598 20.887 3.146 1.00 28.72 ? 375 SER B CA 1 ATOM 3657 C C . SER B 1 152 ? -0.434 20.523 2.242 1.00 30.97 ? 375 SER B C 1 ATOM 3658 O O . SER B 1 152 ? 0.641 20.134 2.718 1.00 29.43 ? 375 SER B O 1 ATOM 3659 C CB . SER B 1 152 ? -1.775 22.412 3.206 1.00 37.86 ? 375 SER B CB 1 ATOM 3660 O OG . SER B 1 152 ? -0.643 23.042 3.784 1.00 33.00 ? 375 SER B OG 1 ATOM 3661 N N . ARG B 1 153 ? -0.666 20.631 0.934 1.00 28.76 ? 376 ARG B N 1 ATOM 3662 C CA . ARG B 1 153 ? 0.370 20.389 -0.070 1.00 28.96 ? 376 ARG B CA 1 ATOM 3663 C C . ARG B 1 153 ? 0.767 21.691 -0.757 1.00 36.85 ? 376 ARG B C 1 ATOM 3664 O O . ARG B 1 153 ? -0.066 22.581 -0.961 1.00 34.91 ? 376 ARG B O 1 ATOM 3665 C CB . ARG B 1 153 ? -0.108 19.378 -1.118 1.00 32.14 ? 376 ARG B CB 1 ATOM 3666 C CG . ARG B 1 153 ? -0.308 17.970 -0.570 1.00 29.14 ? 376 ARG B CG 1 ATOM 3667 C CD . ARG B 1 153 ? -1.211 17.142 -1.462 1.00 28.79 ? 376 ARG B CD 1 ATOM 3668 N NE . ARG B 1 153 ? -0.574 16.861 -2.742 1.00 34.81 ? 376 ARG B NE 1 ATOM 3669 C CZ . ARG B 1 153 ? -1.126 16.136 -3.711 1.00 38.53 ? 376 ARG B CZ 1 ATOM 3670 N NH1 . ARG B 1 153 ? -2.336 15.620 -3.551 1.00 36.56 ? 376 ARG B NH1 1 ATOM 3671 N NH2 . ARG B 1 153 ? -0.465 15.933 -4.843 1.00 38.42 ? 376 ARG B NH2 1 ATOM 3672 N N . ALA B 1 154 ? 2.040 21.797 -1.117 1.00 31.67 ? 377 ALA B N 1 ATOM 3673 C CA . ALA B 1 154 ? 2.538 23.002 -1.776 1.00 39.55 ? 377 ALA B CA 1 ATOM 3674 C C . ALA B 1 154 ? 1.820 23.232 -3.104 1.00 43.17 ? 377 ALA B C 1 ATOM 3675 O O . ALA B 1 154 ? 1.606 24.372 -3.520 1.00 43.03 ? 377 ALA B O 1 ATOM 3676 C CB . ALA B 1 154 ? 4.034 22.906 -1.995 1.00 41.01 ? 377 ALA B CB 1 ATOM 3677 N N . SER B 1 155 ? 1.452 22.145 -3.768 1.00 38.01 ? 378 SER B N 1 ATOM 3678 C CA . SER B 1 155 ? 0.786 22.241 -5.059 1.00 40.01 ? 378 SER B CA 1 ATOM 3679 C C . SER B 1 155 ? -0.645 22.761 -4.929 1.00 44.39 ? 378 SER B C 1 ATOM 3680 O O . SER B 1 155 ? -1.258 23.152 -5.918 1.00 46.44 ? 378 SER B O 1 ATOM 3681 C CB . SER B 1 155 ? 0.770 20.880 -5.745 1.00 43.96 ? 378 SER B CB 1 ATOM 3682 O OG . SER B 1 155 ? -0.032 19.972 -5.015 1.00 41.54 ? 378 SER B OG 1 ATOM 3683 N N . GLY B 1 156 ? -1.172 22.758 -3.708 1.00 40.18 ? 379 GLY B N 1 ATOM 3684 C CA . GLY B 1 156 ? -2.543 23.177 -3.466 1.00 42.42 ? 379 GLY B CA 1 ATOM 3685 C C . GLY B 1 156 ? -3.532 22.046 -3.679 1.00 39.28 ? 379 GLY B C 1 ATOM 3686 O O . GLY B 1 156 ? -4.738 22.214 -3.500 1.00 33.01 ? 379 GLY B O 1 ATOM 3687 N N . LYS B 1 157 ? -3.016 20.884 -4.067 1.00 34.83 ? 380 LYS B N 1 ATOM 3688 C CA . LYS B 1 157 ? -3.847 19.706 -4.267 1.00 37.99 ? 380 LYS B CA 1 ATOM 3689 C C . LYS B 1 157 ? -4.345 19.171 -2.921 1.00 40.73 ? 380 LYS B C 1 ATOM 3690 O O . LYS B 1 157 ? -3.735 19.420 -1.884 1.00 40.53 ? 380 LYS B O 1 ATOM 3691 C CB . LYS B 1 157 ? -3.071 18.631 -5.037 1.00 39.88 ? 380 LYS B CB 1 ATOM 3692 C CG . LYS B 1 157 ? -2.852 18.950 -6.522 1.00 48.91 ? 380 LYS B CG 1 ATOM 3693 C CD . LYS B 1 157 ? -1.996 17.878 -7.194 1.00 52.64 ? 380 LYS B CD 1 ATOM 3694 C CE . LYS B 1 157 ? -2.029 17.983 -8.713 1.00 61.58 ? 380 LYS B CE 1 ATOM 3695 N NZ . LYS B 1 157 ? -1.078 18.997 -9.236 1.00 61.83 ? 380 LYS B NZ 1 ATOM 3696 N N . PRO B 1 158 ? -5.466 18.440 -2.935 1.00 41.86 ? 381 PRO B N 1 ATOM 3697 C CA . PRO B 1 158 ? -6.112 17.995 -1.696 1.00 39.83 ? 381 PRO B CA 1 ATOM 3698 C C . PRO B 1 158 ? -5.264 17.003 -0.902 1.00 32.74 ? 381 PRO B C 1 ATOM 3699 O O . PRO B 1 158 ? -4.516 16.213 -1.482 1.00 31.20 ? 381 PRO B O 1 ATOM 3700 C CB . PRO B 1 158 ? -7.387 17.302 -2.195 1.00 39.83 ? 381 PRO B CB 1 ATOM 3701 C CG . PRO B 1 158 ? -7.604 17.828 -3.574 1.00 47.81 ? 381 PRO B CG 1 ATOM 3702 C CD . PRO B 1 158 ? -6.238 18.058 -4.128 1.00 48.44 ? 381 PRO B CD 1 ATOM 3703 N N . VAL B 1 159 ? -5.382 17.048 0.420 1.00 30.72 ? 382 VAL B N 1 ATOM 3704 C CA . VAL B 1 159 ? -4.765 16.016 1.250 1.00 34.43 ? 382 VAL B CA 1 ATOM 3705 C C . VAL B 1 159 ? -5.795 14.954 1.594 1.00 33.89 ? 382 VAL B C 1 ATOM 3706 O O . VAL B 1 159 ? -6.996 15.228 1.634 1.00 29.82 ? 382 VAL B O 1 ATOM 3707 C CB . VAL B 1 159 ? -4.156 16.587 2.552 1.00 31.22 ? 382 VAL B CB 1 ATOM 3708 C CG1 . VAL B 1 159 ? -3.053 17.574 2.229 1.00 30.08 ? 382 VAL B CG1 1 ATOM 3709 C CG2 . VAL B 1 159 ? -5.226 17.237 3.426 1.00 36.19 ? 382 VAL B CG2 1 ATOM 3710 N N . ASN B 1 160 ? -5.333 13.736 1.825 1.00 26.02 ? 383 ASN B N 1 ATOM 3711 C CA . ASN B 1 160 ? -6.220 12.691 2.313 1.00 32.07 ? 383 ASN B CA 1 ATOM 3712 C C . ASN B 1 160 ? -6.626 12.928 3.767 1.00 30.04 ? 383 ASN B C 1 ATOM 3713 O O . ASN B 1 160 ? -6.045 13.773 4.450 1.00 31.78 ? 383 ASN B O 1 ATOM 3714 C CB . ASN B 1 160 ? -5.557 11.327 2.169 1.00 30.02 ? 383 ASN B CB 1 ATOM 3715 C CG . ASN B 1 160 ? -5.712 10.752 0.772 1.00 37.15 ? 383 ASN B CG 1 ATOM 3716 O OD1 . ASN B 1 160 ? -6.198 11.425 -0.132 1.00 40.08 ? 383 ASN B OD1 1 ATOM 3717 N ND2 . ASN B 1 160 ? -5.316 9.500 0.599 1.00 41.43 ? 383 ASN B ND2 1 ATOM 3718 N N . HIS B 1 161 ? -7.613 12.183 4.249 1.00 27.25 ? 384 HIS B N 1 ATOM 3719 C CA . HIS B 1 161 ? -7.939 12.252 5.674 1.00 25.08 ? 384 HIS B CA 1 ATOM 3720 C C . HIS B 1 161 ? -6.782 11.713 6.515 1.00 33.17 ? 384 HIS B C 1 ATOM 3721 O O . HIS B 1 161 ? -6.147 10.725 6.151 1.00 30.78 ? 384 HIS B O 1 ATOM 3722 C CB . HIS B 1 161 ? -9.229 11.496 5.974 1.00 26.59 ? 384 HIS B CB 1 ATOM 3723 C CG . HIS B 1 161 ? -10.450 12.211 5.490 1.00 28.39 ? 384 HIS B CG 1 ATOM 3724 N ND1 . HIS B 1 161 ? -10.841 12.202 4.169 1.00 28.23 ? 384 HIS B ND1 1 ATOM 3725 C CD2 . HIS B 1 161 ? -11.344 12.988 6.145 1.00 26.98 ? 384 HIS B CD2 1 ATOM 3726 C CE1 . HIS B 1 161 ? -11.932 12.935 4.031 1.00 35.35 ? 384 HIS B CE1 1 ATOM 3727 N NE2 . HIS B 1 161 ? -12.259 13.422 5.216 1.00 35.10 ? 384 HIS B NE2 1 ATOM 3728 N N . SER B 1 162 ? -6.494 12.377 7.629 1.00 26.54 ? 385 SER B N 1 ATOM 3729 C CA . SER B 1 162 ? -5.420 11.927 8.499 1.00 27.07 ? 385 SER B CA 1 ATOM 3730 C C . SER B 1 162 ? -6.001 11.308 9.764 1.00 35.83 ? 385 SER B C 1 ATOM 3731 O O . SER B 1 162 ? -7.164 11.531 10.093 1.00 35.45 ? 385 SER B O 1 ATOM 3732 C CB . SER B 1 162 ? -4.524 13.110 8.866 1.00 30.56 ? 385 SER B CB 1 ATOM 3733 O OG . SER B 1 162 ? -5.298 14.169 9.400 1.00 33.11 ? 385 SER B OG 1 ATOM 3734 N N . THR B 1 163 ? -5.196 10.530 10.476 1.00 26.30 ? 386 THR B N 1 ATOM 3735 C CA . THR B 1 163 ? -5.659 9.977 11.738 1.00 25.82 ? 386 THR B CA 1 ATOM 3736 C C . THR B 1 163 ? -5.063 10.829 12.835 1.00 30.52 ? 386 THR B C 1 ATOM 3737 O O . THR B 1 163 ? -4.010 11.430 12.648 1.00 43.41 ? 386 THR B O 1 ATOM 3738 C CB . THR B 1 163 ? -5.238 8.509 11.925 1.00 38.35 ? 386 THR B CB 1 ATOM 3739 O OG1 . THR B 1 163 ? -3.830 8.377 11.696 1.00 43.29 ? 386 THR B OG1 1 ATOM 3740 C CG2 . THR B 1 163 ? -5.992 7.614 10.952 1.00 39.68 ? 386 THR B CG2 1 ATOM 3741 N N . ARG B 1 164 ? -5.726 10.876 13.983 1.00 28.53 ? 387 ARG B N 1 ATOM 3742 C CA . ARG B 1 164 ? -5.255 11.720 15.069 1.00 31.65 ? 387 ARG B CA 1 ATOM 3743 C C . ARG B 1 164 ? -5.394 10.987 16.386 1.00 37.23 ? 387 ARG B C 1 ATOM 3744 O O . ARG B 1 164 ? -6.451 10.437 16.695 1.00 36.66 ? 387 ARG B O 1 ATOM 3745 C CB . ARG B 1 164 ? -6.032 13.037 15.105 1.00 40.35 ? 387 ARG B CB 1 ATOM 3746 C CG . ARG B 1 164 ? -5.534 14.038 16.138 1.00 45.29 ? 387 ARG B CG 1 ATOM 3747 C CD . ARG B 1 164 ? -6.513 15.183 16.270 1.00 42.18 ? 387 ARG B CD 1 ATOM 3748 N NE . ARG B 1 164 ? -6.385 15.870 17.550 1.00 47.15 ? 387 ARG B NE 1 ATOM 3749 C CZ . ARG B 1 164 ? -6.077 17.153 17.687 1.00 54.53 ? 387 ARG B CZ 1 ATOM 3750 N NH1 . ARG B 1 164 ? -5.871 17.913 16.618 1.00 57.16 ? 387 ARG B NH1 1 ATOM 3751 N NH2 . ARG B 1 164 ? -5.989 17.679 18.900 1.00 50.81 ? 387 ARG B NH2 1 ATOM 3752 N N . LYS B 1 165 ? -4.311 10.982 17.150 1.00 35.79 ? 388 LYS B N 1 ATOM 3753 C CA . LYS B 1 165 ? -4.266 10.274 18.417 1.00 38.29 ? 388 LYS B CA 1 ATOM 3754 C C . LYS B 1 165 ? -3.699 11.213 19.465 1.00 39.22 ? 388 LYS B C 1 ATOM 3755 O O . LYS B 1 165 ? -2.658 11.827 19.254 1.00 40.96 ? 388 LYS B O 1 ATOM 3756 C CB . LYS B 1 165 ? -3.379 9.037 18.284 1.00 48.04 ? 388 LYS B CB 1 ATOM 3757 C CG . LYS B 1 165 ? -3.390 8.116 19.487 1.00 70.82 ? 388 LYS B CG 1 ATOM 3758 C CD . LYS B 1 165 ? -2.416 6.962 19.288 1.00 84.58 ? 388 LYS B CD 1 ATOM 3759 C CE . LYS B 1 165 ? -2.717 5.806 20.234 1.00 93.75 ? 388 LYS B CE 1 ATOM 3760 N NZ . LYS B 1 165 ? -4.044 5.187 19.949 1.00 98.85 ? 388 LYS B NZ 1 ATOM 3761 N N . GLU B 1 166 ? -4.402 11.343 20.583 1.00 41.71 ? 389 GLU B N 1 ATOM 3762 C CA . GLU B 1 166 ? -3.904 12.121 21.707 1.00 41.45 ? 389 GLU B CA 1 ATOM 3763 C C . GLU B 1 166 ? -3.568 11.174 22.846 1.00 42.99 ? 389 GLU B C 1 ATOM 3764 O O . GLU B 1 166 ? -4.378 10.317 23.195 1.00 41.52 ? 389 GLU B O 1 ATOM 3765 C CB . GLU B 1 166 ? -4.947 13.136 22.171 1.00 53.93 ? 389 GLU B CB 1 ATOM 3766 C CG . GLU B 1 166 ? -5.291 14.191 21.141 1.00 65.36 ? 389 GLU B CG 1 ATOM 3767 C CD . GLU B 1 166 ? -6.156 15.293 21.717 1.00 79.49 ? 389 GLU B CD 1 ATOM 3768 O OE1 . GLU B 1 166 ? -6.047 15.560 22.934 1.00 79.96 ? 389 GLU B OE1 1 ATOM 3769 O OE2 . GLU B 1 166 ? -6.943 15.892 20.954 1.00 90.09 ? 389 GLU B OE2 1 ATOM 3770 N N . GLU B 1 167 ? -2.376 11.326 23.418 1.00 40.30 ? 390 GLU B N 1 ATOM 3771 C CA . GLU B 1 167 ? -1.944 10.457 24.506 1.00 52.36 ? 390 GLU B CA 1 ATOM 3772 C C . GLU B 1 167 ? -1.434 11.265 25.693 1.00 48.91 ? 390 GLU B C 1 ATOM 3773 O O . GLU B 1 167 ? -0.575 12.134 25.537 1.00 51.93 ? 390 GLU B O 1 ATOM 3774 C CB . GLU B 1 167 ? -0.844 9.503 24.037 1.00 62.88 ? 390 GLU B CB 1 ATOM 3775 C CG . GLU B 1 167 ? -1.187 8.707 22.791 1.00 79.95 ? 390 GLU B CG 1 ATOM 3776 C CD . GLU B 1 167 ? -0.078 7.748 22.396 1.00 89.90 ? 390 GLU B CD 1 ATOM 3777 O OE1 . GLU B 1 167 ? 0.283 7.713 21.200 1.00 88.43 ? 390 GLU B OE1 1 ATOM 3778 O OE2 . GLU B 1 167 ? 0.439 7.037 23.285 1.00 96.42 ? 390 GLU B OE2 1 ATOM 3779 N N . LYS B 1 168 ? -1.972 10.975 26.874 1.00 44.04 ? 391 LYS B N 1 ATOM 3780 C CA . LYS B 1 168 ? -1.478 11.568 28.111 1.00 48.66 ? 391 LYS B CA 1 ATOM 3781 C C . LYS B 1 168 ? -0.210 10.844 28.547 1.00 48.23 ? 391 LYS B C 1 ATOM 3782 O O . LYS B 1 168 ? -0.182 9.618 28.627 1.00 53.84 ? 391 LYS B O 1 ATOM 3783 C CB . LYS B 1 168 ? -2.538 11.479 29.208 1.00 54.20 ? 391 LYS B CB 1 ATOM 3784 C CG . LYS B 1 168 ? -3.740 12.380 28.984 1.00 70.59 ? 391 LYS B CG 1 ATOM 3785 C CD . LYS B 1 168 ? -4.889 12.006 29.909 1.00 85.81 ? 391 LYS B CD 1 ATOM 3786 C CE . LYS B 1 168 ? -6.011 13.029 29.838 1.00 97.47 ? 391 LYS B CE 1 ATOM 3787 N NZ . LYS B 1 168 ? -5.587 14.349 30.386 1.00 104.24 ? 391 LYS B NZ 1 ATOM 3788 N N . GLN B 1 169 ? 0.842 11.606 28.817 1.00 45.02 ? 392 GLN B N 1 ATOM 3789 C CA . GLN B 1 169 ? 2.126 11.017 29.162 1.00 39.64 ? 392 GLN B CA 1 ATOM 3790 C C . GLN B 1 169 ? 2.297 11.006 30.675 1.00 44.35 ? 392 GLN B C 1 ATOM 3791 O O . GLN B 1 169 ? 1.596 11.723 31.386 1.00 46.21 ? 392 GLN B O 1 ATOM 3792 C CB . GLN B 1 169 ? 3.269 11.793 28.503 1.00 37.24 ? 392 GLN B CB 1 ATOM 3793 C CG . GLN B 1 169 ? 3.124 11.941 26.987 1.00 37.92 ? 392 GLN B CG 1 ATOM 3794 C CD . GLN B 1 169 ? 2.989 10.604 26.285 1.00 46.12 ? 392 GLN B CD 1 ATOM 3795 O OE1 . GLN B 1 169 ? 2.272 10.480 25.286 1.00 52.53 ? 392 GLN B OE1 1 ATOM 3796 N NE2 . GLN B 1 169 ? 3.672 9.590 26.806 1.00 43.53 ? 392 GLN B NE2 1 ATOM 3797 N N . ARG B 1 170 ? 3.228 10.186 31.153 1.00 46.62 ? 393 ARG B N 1 ATOM 3798 C CA . ARG B 1 170 ? 3.471 10.041 32.586 1.00 49.32 ? 393 ARG B CA 1 ATOM 3799 C C . ARG B 1 170 ? 3.865 11.351 33.248 1.00 48.52 ? 393 ARG B C 1 ATOM 3800 O O . ARG B 1 170 ? 3.451 11.629 34.374 1.00 53.17 ? 393 ARG B O 1 ATOM 3801 C CB . ARG B 1 170 ? 4.532 8.971 32.861 1.00 56.92 ? 393 ARG B CB 1 ATOM 3802 C CG . ARG B 1 170 ? 3.981 7.560 32.881 1.00 68.31 ? 393 ARG B CG 1 ATOM 3803 C CD . ARG B 1 170 ? 4.640 6.719 33.960 1.00 77.88 ? 393 ARG B CD 1 ATOM 3804 N NE . ARG B 1 170 ? 5.980 6.278 33.589 1.00 82.27 ? 393 ARG B NE 1 ATOM 3805 C CZ . ARG B 1 170 ? 6.712 5.433 34.309 1.00 86.60 ? 393 ARG B CZ 1 ATOM 3806 N NH1 . ARG B 1 170 ? 6.239 4.939 35.445 1.00 84.38 ? 393 ARG B NH1 1 ATOM 3807 N NH2 . ARG B 1 170 ? 7.919 5.081 33.891 1.00 88.68 ? 393 ARG B NH2 1 ATOM 3808 N N . ASN B 1 171 ? 4.666 12.153 32.556 1.00 48.61 ? 394 ASN B N 1 ATOM 3809 C CA . ASN B 1 171 ? 5.125 13.419 33.122 1.00 51.58 ? 394 ASN B CA 1 ATOM 3810 C C . ASN B 1 171 ? 4.045 14.503 33.078 1.00 55.08 ? 394 ASN B C 1 ATOM 3811 O O . ASN B 1 171 ? 4.308 15.670 33.366 1.00 48.91 ? 394 ASN B O 1 ATOM 3812 C CB . ASN B 1 171 ? 6.427 13.888 32.458 1.00 46.42 ? 394 ASN B CB 1 ATOM 3813 C CG . ASN B 1 171 ? 6.302 14.016 30.948 1.00 40.88 ? 394 ASN B CG 1 ATOM 3814 O OD1 . ASN B 1 171 ? 5.193 14.079 30.417 1.00 40.80 ? 394 ASN B OD1 1 ATOM 3815 N ND2 . ASN B 1 171 ? 7.444 14.074 30.255 1.00 38.31 ? 394 ASN B ND2 1 ATOM 3816 N N . GLY B 1 172 ? 2.827 14.104 32.717 1.00 49.00 ? 395 GLY B N 1 ATOM 3817 C CA . GLY B 1 172 ? 1.688 15.001 32.766 1.00 50.14 ? 395 GLY B CA 1 ATOM 3818 C C . GLY B 1 172 ? 1.447 15.738 31.465 1.00 60.42 ? 395 GLY B C 1 ATOM 3819 O O . GLY B 1 172 ? 0.444 16.435 31.317 1.00 66.42 ? 395 GLY B O 1 ATOM 3820 N N . THR B 1 173 ? 2.367 15.587 30.520 1.00 52.65 ? 396 THR B N 1 ATOM 3821 C CA . THR B 1 173 ? 2.249 16.275 29.242 1.00 60.65 ? 396 THR B CA 1 ATOM 3822 C C . THR B 1 173 ? 1.274 15.561 28.312 1.00 54.80 ? 396 THR B C 1 ATOM 3823 O O . THR B 1 173 ? 0.789 14.465 28.611 1.00 48.73 ? 396 THR B O 1 ATOM 3824 C CB . THR B 1 173 ? 3.607 16.390 28.527 1.00 62.49 ? 396 THR B CB 1 ATOM 3825 O OG1 . THR B 1 173 ? 4.028 15.092 28.092 1.00 66.34 ? 396 THR B OG1 1 ATOM 3826 C CG2 . THR B 1 173 ? 4.659 16.985 29.457 1.00 68.73 ? 396 THR B CG2 1 ATOM 3827 N N . LEU B 1 174 ? 0.985 16.200 27.185 1.00 43.15 ? 397 LEU B N 1 ATOM 3828 C CA . LEU B 1 174 ? 0.143 15.603 26.165 1.00 41.23 ? 397 LEU B CA 1 ATOM 3829 C C . LEU B 1 174 ? 0.895 15.586 24.847 1.00 41.22 ? 397 LEU B C 1 ATOM 3830 O O . LEU B 1 174 ? 1.548 16.562 24.482 1.00 49.81 ? 397 LEU B O 1 ATOM 3831 C CB . LEU B 1 174 ? -1.145 16.408 26.007 1.00 41.23 ? 397 LEU B CB 1 ATOM 3832 C CG . LEU B 1 174 ? -2.208 15.882 25.042 1.00 51.62 ? 397 LEU B CG 1 ATOM 3833 C CD1 . LEU B 1 174 ? -2.806 14.577 25.546 1.00 56.95 ? 397 LEU B CD1 1 ATOM 3834 C CD2 . LEU B 1 174 ? -3.296 16.929 24.855 1.00 63.96 ? 397 LEU B CD2 1 ATOM 3835 N N . THR B 1 175 ? 0.815 14.469 24.138 1.00 40.36 ? 398 THR B N 1 ATOM 3836 C CA . THR B 1 175 ? 1.323 14.421 22.776 1.00 35.14 ? 398 THR B CA 1 ATOM 3837 C C . THR B 1 175 ? 0.154 14.196 21.820 1.00 43.50 ? 398 THR B C 1 ATOM 3838 O O . THR B 1 175 ? -0.789 13.468 22.136 1.00 40.65 ? 398 THR B O 1 ATOM 3839 C CB . THR B 1 175 ? 2.373 13.315 22.600 1.00 42.24 ? 398 THR B CB 1 ATOM 3840 O OG1 . THR B 1 175 ? 1.723 12.044 22.483 1.00 44.58 ? 398 THR B OG1 1 ATOM 3841 C CG2 . THR B 1 175 ? 3.311 13.295 23.801 1.00 43.33 ? 398 THR B CG2 1 ATOM 3842 N N . VAL B 1 176 ? 0.212 14.851 20.667 1.00 35.95 ? 399 VAL B N 1 ATOM 3843 C CA . VAL B 1 176 ? -0.786 14.668 19.627 1.00 35.60 ? 399 VAL B CA 1 ATOM 3844 C C . VAL B 1 176 ? -0.085 14.236 18.353 1.00 40.00 ? 399 VAL B C 1 ATOM 3845 O O . VAL B 1 176 ? 0.813 14.921 17.863 1.00 42.82 ? 399 VAL B O 1 ATOM 3846 C CB . VAL B 1 176 ? -1.572 15.955 19.355 1.00 38.01 ? 399 VAL B CB 1 ATOM 3847 C CG1 . VAL B 1 176 ? -2.432 15.792 18.090 1.00 41.98 ? 399 VAL B CG1 1 ATOM 3848 C CG2 . VAL B 1 176 ? -2.428 16.317 20.561 1.00 44.11 ? 399 VAL B CG2 1 ATOM 3849 N N . THR B 1 177 ? -0.489 13.086 17.830 1.00 30.46 ? 400 THR B N 1 ATOM 3850 C CA . THR B 1 177 ? 0.144 12.531 16.648 1.00 24.60 ? 400 THR B CA 1 ATOM 3851 C C . THR B 1 177 ? -0.863 12.462 15.511 1.00 35.13 ? 400 THR B C 1 ATOM 3852 O O . THR B 1 177 ? -1.913 11.835 15.653 1.00 30.98 ? 400 THR B O 1 ATOM 3853 C CB . THR B 1 177 ? 0.644 11.107 16.908 1.00 27.65 ? 400 THR B CB 1 ATOM 3854 O OG1 . THR B 1 177 ? 1.452 11.093 18.098 1.00 38.17 ? 400 THR B OG1 1 ATOM 3855 C CG2 . THR B 1 177 ? 1.471 10.620 15.729 1.00 28.79 ? 400 THR B CG2 1 ATOM 3856 N N . SER B 1 178 ? -0.536 13.104 14.392 1.00 30.77 ? 401 SER B N 1 ATOM 3857 C CA . SER B 1 178 ? -1.348 13.008 13.185 1.00 34.19 ? 401 SER B CA 1 ATOM 3858 C C . SER B 1 178 ? -0.552 12.316 12.093 1.00 31.02 ? 401 SER B C 1 ATOM 3859 O O . SER B 1 178 ? 0.565 12.724 11.778 1.00 29.23 ? 401 SER B O 1 ATOM 3860 C CB . SER B 1 178 ? -1.815 14.390 12.704 1.00 31.40 ? 401 SER B CB 1 ATOM 3861 O OG . SER B 1 178 ? -2.607 14.275 11.522 1.00 30.49 ? 401 SER B OG 1 ATOM 3862 N N . THR B 1 179 ? -1.128 11.258 11.530 1.00 25.05 ? 402 THR B N 1 ATOM 3863 C CA . THR B 1 179 ? -0.486 10.540 10.442 1.00 23.07 ? 402 THR B CA 1 ATOM 3864 C C . THR B 1 179 ? -1.261 10.738 9.147 1.00 25.91 ? 402 THR B C 1 ATOM 3865 O O . THR B 1 179 ? -2.479 10.520 9.099 1.00 25.66 ? 402 THR B O 1 ATOM 3866 C CB . THR B 1 179 ? -0.370 9.043 10.768 1.00 29.79 ? 402 THR B CB 1 ATOM 3867 O OG1 . THR B 1 179 ? 0.402 8.881 11.968 1.00 34.24 ? 402 THR B OG1 1 ATOM 3868 C CG2 . THR B 1 179 ? 0.304 8.299 9.633 1.00 27.36 ? 402 THR B CG2 1 ATOM 3869 N N . LEU B 1 180 ? -0.555 11.175 8.108 1.00 21.03 ? 403 LEU B N 1 ATOM 3870 C CA . LEU B 1 180 ? -1.167 11.435 6.811 1.00 22.42 ? 403 LEU B CA 1 ATOM 3871 C C . LEU B 1 180 ? -0.623 10.504 5.734 1.00 26.07 ? 403 LEU B C 1 ATOM 3872 O O . LEU B 1 180 ? 0.586 10.458 5.495 1.00 24.76 ? 403 LEU B O 1 ATOM 3873 C CB . LEU B 1 180 ? -0.922 12.890 6.389 1.00 27.31 ? 403 LEU B CB 1 ATOM 3874 C CG . LEU B 1 180 ? -1.541 13.265 5.030 1.00 25.40 ? 403 LEU B CG 1 ATOM 3875 C CD1 . LEU B 1 180 ? -3.029 13.560 5.219 1.00 29.09 ? 403 LEU B CD1 1 ATOM 3876 C CD2 . LEU B 1 180 ? -0.824 14.454 4.389 1.00 24.80 ? 403 LEU B CD2 1 ATOM 3877 N N . PRO B 1 181 ? -1.519 9.756 5.077 1.00 26.52 ? 404 PRO B N 1 ATOM 3878 C CA . PRO B 1 181 ? -1.150 8.950 3.910 1.00 28.15 ? 404 PRO B CA 1 ATOM 3879 C C . PRO B 1 181 ? -0.771 9.870 2.756 1.00 25.91 ? 404 PRO B C 1 ATOM 3880 O O . PRO B 1 181 ? -1.454 10.870 2.549 1.00 24.20 ? 404 PRO B O 1 ATOM 3881 C CB . PRO B 1 181 ? -2.451 8.207 3.564 1.00 31.03 ? 404 PRO B CB 1 ATOM 3882 C CG . PRO B 1 181 ? -3.371 8.421 4.734 1.00 35.50 ? 404 PRO B CG 1 ATOM 3883 C CD . PRO B 1 181 ? -2.967 9.700 5.361 1.00 27.63 ? 404 PRO B CD 1 ATOM 3884 N N . VAL B 1 182 ? 0.304 9.563 2.036 1.00 24.03 ? 405 VAL B N 1 ATOM 3885 C CA . VAL B 1 182 ? 0.689 10.370 0.880 1.00 24.42 ? 405 VAL B CA 1 ATOM 3886 C C . VAL B 1 182 ? 0.730 9.518 -0.387 1.00 31.81 ? 405 VAL B C 1 ATOM 3887 O O . VAL B 1 182 ? 1.002 8.326 -0.324 1.00 25.77 ? 405 VAL B O 1 ATOM 3888 C CB . VAL B 1 182 ? 2.060 11.056 1.092 1.00 24.84 ? 405 VAL B CB 1 ATOM 3889 C CG1 . VAL B 1 182 ? 2.014 11.957 2.315 1.00 26.00 ? 405 VAL B CG1 1 ATOM 3890 C CG2 . VAL B 1 182 ? 3.186 10.013 1.240 1.00 23.59 ? 405 VAL B CG2 1 ATOM 3891 N N . GLY B 1 183 ? 0.435 10.123 -1.535 1.00 28.30 ? 406 GLY B N 1 ATOM 3892 C CA . GLY B 1 183 ? 0.503 9.395 -2.791 1.00 29.10 ? 406 GLY B CA 1 ATOM 3893 C C . GLY B 1 183 ? 1.941 8.996 -3.075 1.00 30.80 ? 406 GLY B C 1 ATOM 3894 O O . GLY B 1 183 ? 2.865 9.757 -2.784 1.00 30.92 ? 406 GLY B O 1 ATOM 3895 N N . THR B 1 184 ? 2.141 7.805 -3.626 1.00 30.41 ? 407 THR B N 1 ATOM 3896 C CA . THR B 1 184 ? 3.499 7.333 -3.859 1.00 34.35 ? 407 THR B CA 1 ATOM 3897 C C . THR B 1 184 ? 4.152 8.170 -4.950 1.00 36.03 ? 407 THR B C 1 ATOM 3898 O O . THR B 1 184 ? 5.237 8.723 -4.763 1.00 32.99 ? 407 THR B O 1 ATOM 3899 C CB . THR B 1 184 ? 3.528 5.852 -4.237 1.00 40.32 ? 407 THR B CB 1 ATOM 3900 O OG1 . THR B 1 184 ? 2.879 5.091 -3.211 1.00 37.61 ? 407 THR B OG1 1 ATOM 3901 C CG2 . THR B 1 184 ? 4.962 5.381 -4.385 1.00 43.67 ? 407 THR B CG2 1 ATOM 3902 N N . ARG B 1 185 ? 3.474 8.279 -6.085 1.00 37.77 ? 408 ARG B N 1 ATOM 3903 C CA . ARG B 1 185 ? 3.969 9.115 -7.171 1.00 36.96 ? 408 ARG B CA 1 ATOM 3904 C C . ARG B 1 185 ? 4.163 10.548 -6.675 1.00 32.54 ? 408 ARG B C 1 ATOM 3905 O O . ARG B 1 185 ? 5.186 11.190 -6.951 1.00 31.92 ? 408 ARG B O 1 ATOM 3906 C CB . ARG B 1 185 ? 2.991 9.079 -8.346 1.00 49.84 ? 408 ARG B CB 1 ATOM 3907 C CG . ARG B 1 185 ? 3.377 9.970 -9.515 1.00 66.73 ? 408 ARG B CG 1 ATOM 3908 C CD . ARG B 1 185 ? 2.245 10.056 -10.527 1.00 81.68 ? 408 ARG B CD 1 ATOM 3909 N NE . ARG B 1 185 ? 2.562 10.956 -11.632 1.00 91.79 ? 408 ARG B NE 1 ATOM 3910 C CZ . ARG B 1 185 ? 3.218 10.588 -12.728 1.00 99.47 ? 408 ARG B CZ 1 ATOM 3911 N NH1 . ARG B 1 185 ? 3.629 9.334 -12.867 1.00 99.52 ? 408 ARG B NH1 1 ATOM 3912 N NH2 . ARG B 1 185 ? 3.465 11.472 -13.684 1.00 102.33 ? 408 ARG B NH2 1 ATOM 3913 N N . ASP B 1 186 ? 3.171 11.044 -5.943 1.00 29.69 ? 409 ASP B N 1 ATOM 3914 C CA . ASP B 1 186 ? 3.213 12.391 -5.394 1.00 28.75 ? 409 ASP B CA 1 ATOM 3915 C C . ASP B 1 186 ? 4.502 12.615 -4.614 1.00 30.24 ? 409 ASP B C 1 ATOM 3916 O O . ASP B 1 186 ? 5.214 13.597 -4.845 1.00 29.75 ? 409 ASP B O 1 ATOM 3917 C CB . ASP B 1 186 ? 2.025 12.630 -4.455 1.00 25.59 ? 409 ASP B CB 1 ATOM 3918 C CG . ASP B 1 186 ? 0.711 12.799 -5.195 1.00 35.72 ? 409 ASP B CG 1 ATOM 3919 O OD1 . ASP B 1 186 ? -0.343 12.696 -4.534 1.00 34.60 ? 409 ASP B OD1 1 ATOM 3920 O OD2 . ASP B 1 186 ? 0.732 13.035 -6.426 1.00 41.39 ? 409 ASP B OD2 1 ATOM 3921 N N . TRP B 1 187 ? 4.784 11.715 -3.674 1.00 29.00 ? 410 TRP B N 1 ATOM 3922 C CA . TRP B 1 187 ? 5.967 11.856 -2.828 1.00 31.29 ? 410 TRP B CA 1 ATOM 3923 C C . TRP B 1 187 ? 7.249 11.781 -3.654 1.00 35.53 ? 410 TRP B C 1 ATOM 3924 O O . TRP B 1 187 ? 8.120 12.646 -3.555 1.00 30.93 ? 410 TRP B O 1 ATOM 3925 C CB . TRP B 1 187 ? 6.030 10.787 -1.723 1.00 31.85 ? 410 TRP B CB 1 ATOM 3926 C CG . TRP B 1 187 ? 7.282 10.959 -0.906 1.00 27.14 ? 410 TRP B CG 1 ATOM 3927 C CD1 . TRP B 1 187 ? 8.456 10.252 -1.021 1.00 30.08 ? 410 TRP B CD1 1 ATOM 3928 C CD2 . TRP B 1 187 ? 7.515 11.961 0.084 1.00 31.24 ? 410 TRP B CD2 1 ATOM 3929 N NE1 . TRP B 1 187 ? 9.387 10.737 -0.132 1.00 28.73 ? 410 TRP B NE1 1 ATOM 3930 C CE2 . TRP B 1 187 ? 8.836 11.790 0.553 1.00 28.45 ? 410 TRP B CE2 1 ATOM 3931 C CE3 . TRP B 1 187 ? 6.725 12.974 0.640 1.00 28.95 ? 410 TRP B CE3 1 ATOM 3932 C CZ2 . TRP B 1 187 ? 9.383 12.600 1.544 1.00 32.31 ? 410 TRP B CZ2 1 ATOM 3933 C CZ3 . TRP B 1 187 ? 7.269 13.776 1.617 1.00 31.57 ? 410 TRP B CZ3 1 ATOM 3934 C CH2 . TRP B 1 187 ? 8.587 13.587 2.062 1.00 30.49 ? 410 TRP B CH2 1 ATOM 3935 N N . ILE B 1 188 ? 7.359 10.737 -4.465 1.00 32.55 ? 411 ILE B N 1 ATOM 3936 C CA . ILE B 1 188 ? 8.591 10.487 -5.214 1.00 32.75 ? 411 ILE B CA 1 ATOM 3937 C C . ILE B 1 188 ? 8.910 11.624 -6.179 1.00 33.70 ? 411 ILE B C 1 ATOM 3938 O O . ILE B 1 188 ? 10.078 11.943 -6.398 1.00 31.27 ? 411 ILE B O 1 ATOM 3939 C CB . ILE B 1 188 ? 8.555 9.127 -5.940 1.00 38.65 ? 411 ILE B CB 1 ATOM 3940 C CG1 . ILE B 1 188 ? 8.529 7.994 -4.910 1.00 36.74 ? 411 ILE B CG1 1 ATOM 3941 C CG2 . ILE B 1 188 ? 9.765 8.970 -6.872 1.00 42.84 ? 411 ILE B CG2 1 ATOM 3942 C CD1 . ILE B 1 188 ? 8.425 6.613 -5.505 1.00 42.23 ? 411 ILE B CD1 1 ATOM 3943 N N . GLU B 1 189 ? 7.879 12.269 -6.718 1.00 28.77 ? 412 GLU B N 1 ATOM 3944 C CA . GLU B 1 189 ? 8.097 13.376 -7.659 1.00 33.16 ? 412 GLU B CA 1 ATOM 3945 C C . GLU B 1 189 ? 8.231 14.743 -7.001 1.00 38.30 ? 412 GLU B C 1 ATOM 3946 O O . GLU B 1 189 ? 8.203 15.770 -7.681 1.00 37.34 ? 412 GLU B O 1 ATOM 3947 C CB . GLU B 1 189 ? 7.021 13.387 -8.740 1.00 33.99 ? 412 GLU B CB 1 ATOM 3948 C CG . GLU B 1 189 ? 7.051 12.110 -9.554 1.00 35.18 ? 412 GLU B CG 1 ATOM 3949 C CD . GLU B 1 189 ? 6.053 12.096 -10.683 1.00 46.85 ? 412 GLU B CD 1 ATOM 3950 O OE1 . GLU B 1 189 ? 5.242 13.048 -10.787 1.00 45.45 ? 412 GLU B OE1 1 ATOM 3951 O OE2 . GLU B 1 189 ? 6.081 11.122 -11.462 1.00 45.93 ? 412 GLU B OE2 1 ATOM 3952 N N . GLY B 1 190 ? 8.377 14.753 -5.679 1.00 35.76 ? 413 GLY B N 1 ATOM 3953 C CA . GLY B 1 190 ? 8.808 15.950 -4.974 1.00 37.11 ? 413 GLY B CA 1 ATOM 3954 C C . GLY B 1 190 ? 7.745 16.880 -4.417 1.00 34.19 ? 413 GLY B C 1 ATOM 3955 O O . GLY B 1 190 ? 7.984 18.080 -4.263 1.00 31.92 ? 413 GLY B O 1 ATOM 3956 N N . GLU B 1 191 ? 6.575 16.346 -4.097 1.00 29.33 ? 414 GLU B N 1 ATOM 3957 C CA . GLU B 1 191 ? 5.556 17.163 -3.443 1.00 34.19 ? 414 GLU B CA 1 ATOM 3958 C C . GLU B 1 191 ? 6.054 17.610 -2.069 1.00 30.19 ? 414 GLU B C 1 ATOM 3959 O O . GLU B 1 191 ? 6.840 16.912 -1.422 1.00 30.83 ? 414 GLU B O 1 ATOM 3960 C CB . GLU B 1 191 ? 4.242 16.387 -3.306 1.00 31.94 ? 414 GLU B CB 1 ATOM 3961 C CG . GLU B 1 191 ? 3.149 17.105 -2.494 1.00 30.16 ? 414 GLU B CG 1 ATOM 3962 C CD . GLU B 1 191 ? 2.597 18.335 -3.200 1.00 36.79 ? 414 GLU B CD 1 ATOM 3963 O OE1 . GLU B 1 191 ? 3.227 19.411 -3.112 1.00 30.84 ? 414 GLU B OE1 1 ATOM 3964 O OE2 . GLU B 1 191 ? 1.522 18.224 -3.834 1.00 36.74 ? 414 GLU B OE2 1 ATOM 3965 N N . THR B 1 192 ? 5.595 18.771 -1.622 1.00 29.37 ? 415 THR B N 1 ATOM 3966 C CA . THR B 1 192 ? 5.949 19.259 -0.299 1.00 31.47 ? 415 THR B CA 1 ATOM 3967 C C . THR B 1 192 ? 4.714 19.305 0.585 1.00 33.85 ? 415 THR B C 1 ATOM 3968 O O . THR B 1 192 ? 3.695 19.886 0.217 1.00 31.75 ? 415 THR B O 1 ATOM 3969 C CB . THR B 1 192 ? 6.600 20.647 -0.367 1.00 33.20 ? 415 THR B CB 1 ATOM 3970 O OG1 . THR B 1 192 ? 7.807 20.565 -1.136 1.00 32.46 ? 415 THR B OG1 1 ATOM 3971 C CG2 . THR B 1 192 ? 6.933 21.145 1.028 1.00 35.09 ? 415 THR B CG2 1 ATOM 3972 N N . TYR B 1 193 ? 4.815 18.676 1.748 1.00 29.88 ? 416 TYR B N 1 ATOM 3973 C CA . TYR B 1 193 ? 3.705 18.588 2.681 1.00 27.77 ? 416 TYR B CA 1 ATOM 3974 C C . TYR B 1 193 ? 3.979 19.447 3.893 1.00 30.89 ? 416 TYR B C 1 ATOM 3975 O O . TYR B 1 193 ? 5.099 19.481 4.401 1.00 37.42 ? 416 TYR B O 1 ATOM 3976 C CB . TYR B 1 193 ? 3.515 17.133 3.112 1.00 25.78 ? 416 TYR B CB 1 ATOM 3977 C CG . TYR B 1 193 ? 3.153 16.244 1.959 1.00 28.46 ? 416 TYR B CG 1 ATOM 3978 C CD1 . TYR B 1 193 ? 1.819 15.915 1.697 1.00 24.33 ? 416 TYR B CD1 1 ATOM 3979 C CD2 . TYR B 1 193 ? 4.136 15.753 1.107 1.00 27.55 ? 416 TYR B CD2 1 ATOM 3980 C CE1 . TYR B 1 193 ? 1.493 15.109 0.626 1.00 24.38 ? 416 TYR B CE1 1 ATOM 3981 C CE2 . TYR B 1 193 ? 3.815 14.949 0.038 1.00 30.48 ? 416 TYR B CE2 1 ATOM 3982 C CZ . TYR B 1 193 ? 2.496 14.635 -0.198 1.00 26.58 ? 416 TYR B CZ 1 ATOM 3983 O OH . TYR B 1 193 ? 2.182 13.831 -1.259 1.00 32.80 ? 416 TYR B OH 1 ATOM 3984 N N . GLN B 1 194 ? 2.950 20.149 4.355 1.00 31.52 ? 417 GLN B N 1 ATOM 3985 C CA . GLN B 1 194 ? 3.084 21.000 5.519 1.00 31.53 ? 417 GLN B CA 1 ATOM 3986 C C . GLN B 1 194 ? 2.111 20.594 6.619 1.00 32.07 ? 417 GLN B C 1 ATOM 3987 O O . GLN B 1 194 ? 0.931 20.361 6.369 1.00 30.84 ? 417 GLN B O 1 ATOM 3988 C CB . GLN B 1 194 ? 2.848 22.460 5.139 1.00 39.80 ? 417 GLN B CB 1 ATOM 3989 C CG . GLN B 1 194 ? 2.910 23.415 6.314 1.00 46.88 ? 417 GLN B CG 1 ATOM 3990 C CD . GLN B 1 194 ? 2.676 24.850 5.903 1.00 58.26 ? 417 GLN B CD 1 ATOM 3991 O OE1 . GLN B 1 194 ? 1.668 25.455 6.274 1.00 63.27 ? 417 GLN B OE1 1 ATOM 3992 N NE2 . GLN B 1 194 ? 3.598 25.403 5.119 1.00 58.63 ? 417 GLN B NE2 1 ATOM 3993 N N . CYS B 1 195 ? 2.629 20.505 7.836 1.00 30.86 ? 418 CYS B N 1 ATOM 3994 C CA . CYS B 1 195 ? 1.809 20.367 9.027 1.00 36.08 ? 418 CYS B CA 1 ATOM 3995 C C . CYS B 1 195 ? 1.751 21.719 9.733 1.00 41.70 ? 418 CYS B C 1 ATOM 3996 O O . CYS B 1 195 ? 2.786 22.274 10.104 1.00 38.51 ? 418 CYS B O 1 ATOM 3997 C CB . CYS B 1 195 ? 2.425 19.333 9.968 1.00 40.91 ? 418 CYS B CB 1 ATOM 3998 S SG . CYS B 1 195 ? 1.508 19.101 11.504 1.00 47.91 ? 418 CYS B SG 1 ATOM 3999 N N . ARG B 1 196 ? 0.548 22.251 9.919 1.00 35.62 ? 419 ARG B N 1 ATOM 4000 C CA . ARG B 1 196 ? 0.396 23.526 10.610 1.00 37.53 ? 419 ARG B CA 1 ATOM 4001 C C . ARG B 1 196 ? -0.314 23.329 11.943 1.00 38.95 ? 419 ARG B C 1 ATOM 4002 O O . ARG B 1 196 ? -1.402 22.743 12.008 1.00 35.02 ? 419 ARG B O 1 ATOM 4003 C CB . ARG B 1 196 ? -0.348 24.535 9.738 1.00 45.83 ? 419 ARG B CB 1 ATOM 4004 C CG . ARG B 1 196 ? -0.502 25.915 10.371 1.00 52.88 ? 419 ARG B CG 1 ATOM 4005 C CD . ARG B 1 196 ? -1.164 26.887 9.402 1.00 57.02 ? 419 ARG B CD 1 ATOM 4006 N NE . ARG B 1 196 ? -1.236 28.245 9.935 1.00 66.01 ? 419 ARG B NE 1 ATOM 4007 C CZ . ARG B 1 196 ? -2.300 28.743 10.555 1.00 68.99 ? 419 ARG B CZ 1 ATOM 4008 N NH1 . ARG B 1 196 ? -3.381 27.993 10.719 1.00 74.85 ? 419 ARG B NH1 1 ATOM 4009 N NH2 . ARG B 1 196 ? -2.285 29.990 11.008 1.00 65.04 ? 419 ARG B NH2 1 ATOM 4010 N N . VAL B 1 197 ? 0.315 23.832 13.002 1.00 38.40 ? 420 VAL B N 1 ATOM 4011 C CA . VAL B 1 197 ? -0.142 23.606 14.367 1.00 39.95 ? 420 VAL B CA 1 ATOM 4012 C C . VAL B 1 197 ? -0.505 24.917 15.060 1.00 47.76 ? 420 VAL B C 1 ATOM 4013 O O . VAL B 1 197 ? 0.257 25.881 15.026 1.00 50.12 ? 420 VAL B O 1 ATOM 4014 C CB . VAL B 1 197 ? 0.939 22.891 15.202 1.00 35.84 ? 420 VAL B CB 1 ATOM 4015 C CG1 . VAL B 1 197 ? 0.457 22.685 16.629 1.00 41.35 ? 420 VAL B CG1 1 ATOM 4016 C CG2 . VAL B 1 197 ? 1.303 21.563 14.563 1.00 38.97 ? 420 VAL B CG2 1 ATOM 4017 N N . THR B 1 198 ? -1.677 24.947 15.682 1.00 51.02 ? 421 THR B N 1 ATOM 4018 C CA . THR B 1 198 ? -2.117 26.128 16.410 1.00 57.20 ? 421 THR B CA 1 ATOM 4019 C C . THR B 1 198 ? -2.749 25.743 17.739 1.00 62.38 ? 421 THR B C 1 ATOM 4020 O O . THR B 1 198 ? -3.361 24.683 17.860 1.00 61.69 ? 421 THR B O 1 ATOM 4021 C CB . THR B 1 198 ? -3.148 26.944 15.604 1.00 55.63 ? 421 THR B CB 1 ATOM 4022 O OG1 . THR B 1 198 ? -4.293 26.131 15.323 1.00 58.21 ? 421 THR B OG1 1 ATOM 4023 C CG2 . THR B 1 198 ? -2.546 27.439 14.301 1.00 61.32 ? 421 THR B CG2 1 ATOM 4024 N N . HIS B 1 199 ? -2.595 26.610 18.733 1.00 69.76 ? 422 HIS B N 1 ATOM 4025 C CA . HIS B 1 199 ? -3.289 26.448 20.003 1.00 79.14 ? 422 HIS B CA 1 ATOM 4026 C C . HIS B 1 199 ? -3.350 27.786 20.722 1.00 77.20 ? 422 HIS B C 1 ATOM 4027 O O . HIS B 1 199 ? -2.444 28.606 20.578 1.00 72.89 ? 422 HIS B O 1 ATOM 4028 C CB . HIS B 1 199 ? -2.596 25.409 20.886 1.00 88.43 ? 422 HIS B CB 1 ATOM 4029 C CG . HIS B 1 199 ? -3.365 25.062 22.125 1.00 97.27 ? 422 HIS B CG 1 ATOM 4030 N ND1 . HIS B 1 199 ? -3.375 25.866 23.244 1.00 100.10 ? 422 HIS B ND1 1 ATOM 4031 C CD2 . HIS B 1 199 ? -4.157 24.003 22.415 1.00 99.40 ? 422 HIS B CD2 1 ATOM 4032 C CE1 . HIS B 1 199 ? -4.138 25.316 24.172 1.00 99.13 ? 422 HIS B CE1 1 ATOM 4033 N NE2 . HIS B 1 199 ? -4.622 24.183 23.696 1.00 97.48 ? 422 HIS B NE2 1 ATOM 4034 N N . PRO B 1 200 ? -4.430 28.016 21.486 1.00 82.52 ? 423 PRO B N 1 ATOM 4035 C CA . PRO B 1 200 ? -4.594 29.231 22.291 1.00 86.86 ? 423 PRO B CA 1 ATOM 4036 C C . PRO B 1 200 ? -3.330 29.604 23.069 1.00 91.06 ? 423 PRO B C 1 ATOM 4037 O O . PRO B 1 200 ? -2.956 30.777 23.098 1.00 89.59 ? 423 PRO B O 1 ATOM 4038 C CB . PRO B 1 200 ? -5.717 28.847 23.253 1.00 85.15 ? 423 PRO B CB 1 ATOM 4039 C CG . PRO B 1 200 ? -6.560 27.906 22.461 1.00 84.33 ? 423 PRO B CG 1 ATOM 4040 C CD . PRO B 1 200 ? -5.625 27.153 21.545 1.00 84.55 ? 423 PRO B CD 1 ATOM 4041 N N . HIS B 1 201 ? -2.681 28.618 23.678 1.00 97.47 ? 424 HIS B N 1 ATOM 4042 C CA . HIS B 1 201 ? -1.483 28.861 24.476 1.00 107.73 ? 424 HIS B CA 1 ATOM 4043 C C . HIS B 1 201 ? -0.249 29.069 23.598 1.00 104.42 ? 424 HIS B C 1 ATOM 4044 O O . HIS B 1 201 ? 0.868 29.199 24.097 1.00 100.96 ? 424 HIS B O 1 ATOM 4045 C CB . HIS B 1 201 ? -1.254 27.706 25.456 1.00 125.28 ? 424 HIS B CB 1 ATOM 4046 C CG . HIS B 1 201 ? -0.235 28.001 26.514 1.00 143.60 ? 424 HIS B CG 1 ATOM 4047 N ND1 . HIS B 1 201 ? -0.527 28.731 27.646 1.00 150.63 ? 424 HIS B ND1 1 ATOM 4048 C CD2 . HIS B 1 201 ? 1.071 27.656 26.616 1.00 150.40 ? 424 HIS B CD2 1 ATOM 4049 C CE1 . HIS B 1 201 ? 0.556 28.828 28.397 1.00 153.06 ? 424 HIS B CE1 1 ATOM 4050 N NE2 . HIS B 1 201 ? 1.540 28.184 27.794 1.00 152.73 ? 424 HIS B NE2 1 ATOM 4051 N N . LEU B 1 202 ? -0.456 29.102 22.287 1.00 108.20 ? 425 LEU B N 1 ATOM 4052 C CA . LEU B 1 202 ? 0.638 29.315 21.350 1.00 114.34 ? 425 LEU B CA 1 ATOM 4053 C C . LEU B 1 202 ? 0.518 30.686 20.696 1.00 116.35 ? 425 LEU B C 1 ATOM 4054 O O . LEU B 1 202 ? -0.537 31.036 20.169 1.00 117.14 ? 425 LEU B O 1 ATOM 4055 C CB . LEU B 1 202 ? 0.648 28.222 20.282 1.00 120.31 ? 425 LEU B CB 1 ATOM 4056 C CG . LEU B 1 202 ? 1.860 28.195 19.351 1.00 125.26 ? 425 LEU B CG 1 ATOM 4057 C CD1 . LEU B 1 202 ? 3.105 27.756 20.104 1.00 124.09 ? 425 LEU B CD1 1 ATOM 4058 C CD2 . LEU B 1 202 ? 1.600 27.278 18.168 1.00 127.98 ? 425 LEU B CD2 1 ATOM 4059 N N . PRO B 1 203 ? 1.607 31.464 20.726 1.00 119.64 ? 426 PRO B N 1 ATOM 4060 C CA . PRO B 1 203 ? 1.630 32.833 20.199 1.00 123.11 ? 426 PRO B CA 1 ATOM 4061 C C . PRO B 1 203 ? 1.432 32.942 18.694 1.00 123.13 ? 426 PRO B C 1 ATOM 4062 O O . PRO B 1 203 ? 0.517 33.627 18.236 1.00 121.42 ? 426 PRO B O 1 ATOM 4063 C CB . PRO B 1 203 ? 3.062 33.298 20.490 1.00 126.28 ? 426 PRO B CB 1 ATOM 4064 C CG . PRO B 1 203 ? 3.576 32.363 21.538 1.00 126.04 ? 426 PRO B CG 1 ATOM 4065 C CD . PRO B 1 203 ? 2.916 31.057 21.259 1.00 123.15 ? 426 PRO B CD 1 ATOM 4066 N N . ARG B 1 204 ? 2.292 32.271 17.937 1.00 124.03 ? 427 ARG B N 1 ATOM 4067 C CA . ARG B 1 204 ? 2.130 32.158 16.494 1.00 125.03 ? 427 ARG B CA 1 ATOM 4068 C C . ARG B 1 204 ? 2.185 30.693 16.080 1.00 110.11 ? 427 ARG B C 1 ATOM 4069 O O . ARG B 1 204 ? 2.771 29.864 16.777 1.00 111.26 ? 427 ARG B O 1 ATOM 4070 C CB . ARG B 1 204 ? 3.209 32.957 15.762 1.00 138.81 ? 427 ARG B CB 1 ATOM 4071 C CG . ARG B 1 204 ? 3.134 34.459 15.984 1.00 150.80 ? 427 ARG B CG 1 ATOM 4072 C CD . ARG B 1 204 ? 4.276 35.172 15.274 1.00 161.40 ? 427 ARG B CD 1 ATOM 4073 N NE . ARG B 1 204 ? 4.311 36.600 15.577 1.00 169.40 ? 427 ARG B NE 1 ATOM 4074 C CZ . ARG B 1 204 ? 5.276 37.424 15.179 1.00 174.29 ? 427 ARG B CZ 1 ATOM 4075 N NH1 . ARG B 1 204 ? 6.292 36.963 14.461 1.00 175.88 ? 427 ARG B NH1 1 ATOM 4076 N NH2 . ARG B 1 204 ? 5.228 38.709 15.501 1.00 175.46 ? 427 ARG B NH2 1 ATOM 4077 N N . ALA B 1 205 ? 1.574 30.383 14.941 1.00 90.72 ? 428 ALA B N 1 ATOM 4078 C CA . ALA B 1 205 ? 1.471 29.004 14.476 1.00 75.50 ? 428 ALA B CA 1 ATOM 4079 C C . ALA B 1 205 ? 2.831 28.335 14.282 1.00 64.52 ? 428 ALA B C 1 ATOM 4080 O O . ALA B 1 205 ? 3.796 28.975 13.867 1.00 68.14 ? 428 ALA B O 1 ATOM 4081 C CB . ALA B 1 205 ? 0.663 28.944 13.183 1.00 72.33 ? 428 ALA B CB 1 ATOM 4082 N N . LEU B 1 206 ? 2.897 27.045 14.602 1.00 53.43 ? 429 LEU B N 1 ATOM 4083 C CA . LEU B 1 206 ? 4.041 26.215 14.240 1.00 50.67 ? 429 LEU B CA 1 ATOM 4084 C C . LEU B 1 206 ? 3.797 25.647 12.850 1.00 53.57 ? 429 LEU B C 1 ATOM 4085 O O . LEU B 1 206 ? 2.719 25.121 12.575 1.00 43.80 ? 429 LEU B O 1 ATOM 4086 C CB . LEU B 1 206 ? 4.205 25.064 15.228 1.00 45.40 ? 429 LEU B CB 1 ATOM 4087 C CG . LEU B 1 206 ? 5.171 25.229 16.401 1.00 58.73 ? 429 LEU B CG 1 ATOM 4088 C CD1 . LEU B 1 206 ? 5.215 26.669 16.891 1.00 68.54 ? 429 LEU B CD1 1 ATOM 4089 C CD2 . LEU B 1 206 ? 4.799 24.270 17.525 1.00 57.83 ? 429 LEU B CD2 1 ATOM 4090 N N . MET B 1 207 ? 4.791 25.752 11.974 1.00 52.29 ? 430 MET B N 1 ATOM 4091 C CA . MET B 1 207 ? 4.660 25.235 10.616 1.00 51.40 ? 430 MET B CA 1 ATOM 4092 C C . MET B 1 207 ? 5.866 24.389 10.235 1.00 55.75 ? 430 MET B C 1 ATOM 4093 O O . MET B 1 207 ? 6.998 24.877 10.208 1.00 54.22 ? 430 MET B O 1 ATOM 4094 C CB . MET B 1 207 ? 4.479 26.378 9.616 1.00 58.88 ? 430 MET B CB 1 ATOM 4095 C CG . MET B 1 207 ? 3.060 26.937 9.561 1.00 66.15 ? 430 MET B CG 1 ATOM 4096 S SD . MET B 1 207 ? 2.931 28.414 8.534 1.00 133.12 ? 430 MET B SD 1 ATOM 4097 C CE . MET B 1 207 ? 3.817 27.893 7.066 1.00 180.80 ? 430 MET B CE 1 ATOM 4098 N N . ARG B 1 208 ? 5.617 23.116 9.947 1.00 45.63 ? 431 ARG B N 1 ATOM 4099 C CA . ARG B 1 208 ? 6.679 22.197 9.563 1.00 36.97 ? 431 ARG B CA 1 ATOM 4100 C C . ARG B 1 208 ? 6.399 21.654 8.172 1.00 40.67 ? 431 ARG B C 1 ATOM 4101 O O . ARG B 1 208 ? 5.248 21.407 7.809 1.00 31.86 ? 431 ARG B O 1 ATOM 4102 C CB . ARG B 1 208 ? 6.783 21.041 10.555 1.00 32.98 ? 431 ARG B CB 1 ATOM 4103 C CG . ARG B 1 208 ? 6.956 21.470 12.003 1.00 42.86 ? 431 ARG B CG 1 ATOM 4104 C CD . ARG B 1 208 ? 8.332 22.060 12.242 1.00 45.20 ? 431 ARG B CD 1 ATOM 4105 N NE . ARG B 1 208 ? 8.476 22.554 13.608 1.00 53.84 ? 431 ARG B NE 1 ATOM 4106 C CZ . ARG B 1 208 ? 8.297 23.822 13.966 1.00 62.27 ? 431 ARG B CZ 1 ATOM 4107 N NH1 . ARG B 1 208 ? 7.967 24.731 13.057 1.00 62.98 ? 431 ARG B NH1 1 ATOM 4108 N NH2 . ARG B 1 208 ? 8.449 24.183 15.234 1.00 62.64 ? 431 ARG B NH2 1 ATOM 4109 N N . SER B 1 209 ? 7.453 21.470 7.389 1.00 35.52 ? 432 SER B N 1 ATOM 4110 C CA . SER B 1 209 ? 7.281 20.971 6.036 1.00 34.84 ? 432 SER B CA 1 ATOM 4111 C C . SER B 1 209 ? 8.251 19.835 5.772 1.00 35.49 ? 432 SER B C 1 ATOM 4112 O O . SER B 1 209 ? 9.309 19.739 6.402 1.00 42.68 ? 432 SER B O 1 ATOM 4113 C CB . SER B 1 209 ? 7.477 22.091 5.016 1.00 42.52 ? 432 SER B CB 1 ATOM 4114 O OG . SER B 1 209 ? 8.793 22.605 5.088 1.00 57.21 ? 432 SER B OG 1 ATOM 4115 N N . THR B 1 210 ? 7.881 18.973 4.839 1.00 26.83 ? 433 THR B N 1 ATOM 4116 C CA . THR B 1 210 ? 8.702 17.814 4.507 1.00 30.08 ? 433 THR B CA 1 ATOM 4117 C C . THR B 1 210 ? 8.563 17.510 3.027 1.00 31.20 ? 433 THR B C 1 ATOM 4118 O O . THR B 1 210 ? 7.495 17.700 2.433 1.00 33.36 ? 433 THR B O 1 ATOM 4119 C CB . THR B 1 210 ? 8.320 16.576 5.358 1.00 33.75 ? 433 THR B CB 1 ATOM 4120 O OG1 . THR B 1 210 ? 9.309 15.558 5.199 1.00 31.75 ? 433 THR B OG1 1 ATOM 4121 C CG2 . THR B 1 210 ? 6.951 16.023 4.949 1.00 29.77 ? 433 THR B CG2 1 ATOM 4122 N N . THR B 1 211 ? 9.663 17.067 2.427 1.00 29.60 ? 434 THR B N 1 ATOM 4123 C CA . THR B 1 211 ? 9.695 16.744 1.010 1.00 32.41 ? 434 THR B CA 1 ATOM 4124 C C . THR B 1 211 ? 10.869 15.796 0.766 1.00 32.31 ? 434 THR B C 1 ATOM 4125 O O . THR B 1 211 ? 11.763 15.682 1.610 1.00 30.94 ? 434 THR B O 1 ATOM 4126 C CB . THR B 1 211 ? 9.860 18.009 0.149 1.00 37.83 ? 434 THR B CB 1 ATOM 4127 O OG1 . THR B 1 211 ? 9.647 17.679 -1.228 1.00 36.25 ? 434 THR B OG1 1 ATOM 4128 C CG2 . THR B 1 211 ? 11.260 18.587 0.310 1.00 44.86 ? 434 THR B CG2 1 ATOM 4129 N N . LYS B 1 212 ? 10.864 15.102 -0.368 1.00 30.65 ? 435 LYS B N 1 ATOM 4130 C CA . LYS B 1 212 ? 11.924 14.138 -0.648 1.00 33.86 ? 435 LYS B CA 1 ATOM 4131 C C . LYS B 1 212 ? 13.293 14.817 -0.701 1.00 35.04 ? 435 LYS B C 1 ATOM 4132 O O . LYS B 1 212 ? 13.436 15.903 -1.262 1.00 40.15 ? 435 LYS B O 1 ATOM 4133 C CB . LYS B 1 212 ? 11.665 13.389 -1.955 1.00 29.90 ? 435 LYS B CB 1 ATOM 4134 C CG . LYS B 1 212 ? 12.691 12.300 -2.223 1.00 39.20 ? 435 LYS B CG 1 ATOM 4135 C CD . LYS B 1 212 ? 12.418 11.570 -3.529 1.00 41.30 ? 435 LYS B CD 1 ATOM 4136 C CE . LYS B 1 212 ? 12.944 12.346 -4.722 1.00 50.09 ? 435 LYS B CE 1 ATOM 4137 N NZ . LYS B 1 212 ? 13.022 11.463 -5.920 1.00 49.69 ? 435 LYS B NZ 1 ATOM 4138 N N . THR B 1 213 ? 14.293 14.170 -0.111 1.00 35.86 ? 436 THR B N 1 ATOM 4139 C CA . THR B 1 213 ? 15.649 14.704 -0.097 1.00 38.98 ? 436 THR B CA 1 ATOM 4140 C C . THR B 1 213 ? 16.209 14.754 -1.510 1.00 35.64 ? 436 THR B C 1 ATOM 4141 O O . THR B 1 213 ? 16.150 13.768 -2.240 1.00 37.99 ? 436 THR B O 1 ATOM 4142 C CB . THR B 1 213 ? 16.564 13.850 0.790 1.00 39.04 ? 436 THR B CB 1 ATOM 4143 O OG1 . THR B 1 213 ? 16.138 13.977 2.153 1.00 50.23 ? 436 THR B OG1 1 ATOM 4144 C CG2 . THR B 1 213 ? 18.022 14.305 0.668 1.00 39.62 ? 436 THR B CG2 1 ATOM 4145 N N . SER B 1 214 ? 16.735 15.912 -1.896 1.00 33.78 ? 437 SER B N 1 ATOM 4146 C CA . SER B 1 214 ? 17.311 16.083 -3.222 1.00 39.42 ? 437 SER B CA 1 ATOM 4147 C C . SER B 1 214 ? 18.759 15.600 -3.267 1.00 36.25 ? 437 SER B C 1 ATOM 4148 O O . SER B 1 214 ? 19.297 15.099 -2.271 1.00 36.19 ? 437 SER B O 1 ATOM 4149 C CB . SER B 1 214 ? 17.264 17.556 -3.617 1.00 51.69 ? 437 SER B CB 1 ATOM 4150 O OG . SER B 1 214 ? 17.986 18.337 -2.677 1.00 56.49 ? 437 SER B OG 1 ATOM 4151 N N . GLY B 1 215 ? 19.387 15.747 -4.429 1.00 36.61 ? 438 GLY B N 1 ATOM 4152 C CA . GLY B 1 215 ? 20.809 15.484 -4.548 1.00 33.62 ? 438 GLY B CA 1 ATOM 4153 C C . GLY B 1 215 ? 21.150 14.118 -5.107 1.00 30.15 ? 438 GLY B C 1 ATOM 4154 O O . GLY B 1 215 ? 20.296 13.417 -5.651 1.00 29.79 ? 438 GLY B O 1 ATOM 4155 N N . PRO B 1 216 ? 22.419 13.728 -4.975 1.00 28.62 ? 439 PRO B N 1 ATOM 4156 C CA . PRO B 1 216 ? 22.931 12.495 -5.581 1.00 27.01 ? 439 PRO B CA 1 ATOM 4157 C C . PRO B 1 216 ? 22.337 11.234 -4.960 1.00 29.59 ? 439 PRO B C 1 ATOM 4158 O O . PRO B 1 216 ? 21.904 11.235 -3.803 1.00 28.62 ? 439 PRO B O 1 ATOM 4159 C CB . PRO B 1 216 ? 24.443 12.574 -5.313 1.00 25.71 ? 439 PRO B CB 1 ATOM 4160 C CG . PRO B 1 216 ? 24.715 14.018 -5.093 1.00 37.09 ? 439 PRO B CG 1 ATOM 4161 C CD . PRO B 1 216 ? 23.497 14.557 -4.411 1.00 30.29 ? 439 PRO B CD 1 ATOM 4162 N N . ARG B 1 217 ? 22.317 10.162 -5.742 1.00 24.79 ? 440 ARG B N 1 ATOM 4163 C CA . ARG B 1 217 ? 21.857 8.859 -5.262 1.00 19.96 ? 440 ARG B CA 1 ATOM 4164 C C . ARG B 1 217 ? 23.014 7.870 -5.349 1.00 23.57 ? 440 ARG B C 1 ATOM 4165 O O . ARG B 1 217 ? 23.861 7.981 -6.230 1.00 24.05 ? 440 ARG B O 1 ATOM 4166 C CB . ARG B 1 217 ? 20.708 8.359 -6.145 1.00 25.67 ? 440 ARG B CB 1 ATOM 4167 C CG . ARG B 1 217 ? 19.297 8.620 -5.625 1.00 38.72 ? 440 ARG B CG 1 ATOM 4168 C CD . ARG B 1 217 ? 19.007 10.083 -5.315 1.00 40.49 ? 440 ARG B CD 1 ATOM 4169 N NE . ARG B 1 217 ? 17.687 10.209 -4.691 1.00 36.53 ? 440 ARG B NE 1 ATOM 4170 C CZ . ARG B 1 217 ? 17.242 11.285 -4.046 1.00 37.53 ? 440 ARG B CZ 1 ATOM 4171 N NH1 . ARG B 1 217 ? 18.005 12.367 -3.928 1.00 35.51 ? 440 ARG B NH1 1 ATOM 4172 N NH2 . ARG B 1 217 ? 16.026 11.273 -3.508 1.00 37.23 ? 440 ARG B NH2 1 ATOM 4173 N N . ALA B 1 218 ? 23.060 6.915 -4.423 1.00 24.91 ? 441 ALA B N 1 ATOM 4174 C CA . ALA B 1 218 ? 23.992 5.794 -4.509 1.00 24.45 ? 441 ALA B CA 1 ATOM 4175 C C . ALA B 1 218 ? 23.387 4.611 -3.756 1.00 25.84 ? 441 ALA B C 1 ATOM 4176 O O . ALA B 1 218 ? 22.766 4.797 -2.718 1.00 24.24 ? 441 ALA B O 1 ATOM 4177 C CB . ALA B 1 218 ? 25.364 6.166 -3.923 1.00 26.25 ? 441 ALA B CB 1 ATOM 4178 N N . ALA B 1 219 ? 23.541 3.406 -4.300 1.00 26.94 ? 442 ALA B N 1 ATOM 4179 C CA . ALA B 1 219 ? 22.958 2.212 -3.689 1.00 29.39 ? 442 ALA B CA 1 ATOM 4180 C C . ALA B 1 219 ? 23.775 1.705 -2.498 1.00 22.89 ? 442 ALA B C 1 ATOM 4181 O O . ALA B 1 219 ? 24.987 1.855 -2.456 1.00 23.84 ? 442 ALA B O 1 ATOM 4182 C CB . ALA B 1 219 ? 22.805 1.118 -4.721 1.00 30.21 ? 442 ALA B CB 1 ATOM 4183 N N . PRO B 1 220 ? 23.101 1.103 -1.517 1.00 23.65 ? 443 PRO B N 1 ATOM 4184 C CA . PRO B 1 220 ? 23.821 0.581 -0.353 1.00 20.55 ? 443 PRO B CA 1 ATOM 4185 C C . PRO B 1 220 ? 24.545 -0.732 -0.631 1.00 26.81 ? 443 PRO B C 1 ATOM 4186 O O . PRO B 1 220 ? 24.067 -1.570 -1.405 1.00 25.56 ? 443 PRO B O 1 ATOM 4187 C CB . PRO B 1 220 ? 22.707 0.344 0.677 1.00 21.88 ? 443 PRO B CB 1 ATOM 4188 C CG . PRO B 1 220 ? 21.454 0.192 -0.126 1.00 25.76 ? 443 PRO B CG 1 ATOM 4189 C CD . PRO B 1 220 ? 21.635 1.016 -1.376 1.00 22.09 ? 443 PRO B CD 1 ATOM 4190 N N . GLU B 1 221 ? 25.701 -0.899 0.007 1.00 23.62 ? 444 GLU B N 1 ATOM 4191 C CA . GLU B 1 221 ? 26.362 -2.193 0.085 1.00 21.48 ? 444 GLU B CA 1 ATOM 4192 C C . GLU B 1 221 ? 26.036 -2.777 1.449 1.00 27.41 ? 444 GLU B C 1 ATOM 4193 O O . GLU B 1 221 ? 26.008 -2.046 2.438 1.00 25.77 ? 444 GLU B O 1 ATOM 4194 C CB . GLU B 1 221 ? 27.870 -2.011 -0.017 1.00 21.88 ? 444 GLU B CB 1 ATOM 4195 C CG . GLU B 1 221 ? 28.284 -1.165 -1.209 1.00 26.44 ? 444 GLU B CG 1 ATOM 4196 C CD . GLU B 1 221 ? 29.699 -0.659 -1.072 1.00 35.95 ? 444 GLU B CD 1 ATOM 4197 O OE1 . GLU B 1 221 ? 30.077 0.235 -1.855 1.00 30.28 ? 444 GLU B OE1 1 ATOM 4198 O OE2 . GLU B 1 221 ? 30.422 -1.142 -0.166 1.00 35.06 ? 444 GLU B OE2 1 ATOM 4199 N N . VAL B 1 222 ? 25.802 -4.085 1.496 1.00 23.39 ? 445 VAL B N 1 ATOM 4200 C CA . VAL B 1 222 ? 25.429 -4.763 2.736 1.00 24.48 ? 445 VAL B CA 1 ATOM 4201 C C . VAL B 1 222 ? 26.418 -5.887 3.023 1.00 23.12 ? 445 VAL B C 1 ATOM 4202 O O . VAL B 1 222 ? 26.776 -6.649 2.116 1.00 20.57 ? 445 VAL B O 1 ATOM 4203 C CB . VAL B 1 222 ? 23.998 -5.330 2.641 1.00 25.35 ? 445 VAL B CB 1 ATOM 4204 C CG1 . VAL B 1 222 ? 23.649 -6.174 3.861 1.00 27.89 ? 445 VAL B CG1 1 ATOM 4205 C CG2 . VAL B 1 222 ? 22.989 -4.192 2.486 1.00 26.51 ? 445 VAL B CG2 1 ATOM 4206 N N . TYR B 1 223 ? 26.857 -5.980 4.279 1.00 21.72 ? 446 TYR B N 1 ATOM 4207 C CA . TYR B 1 223 ? 27.789 -7.017 4.720 1.00 19.66 ? 446 TYR B CA 1 ATOM 4208 C C . TYR B 1 223 ? 27.362 -7.545 6.090 1.00 26.35 ? 446 TYR B C 1 ATOM 4209 O O . TYR B 1 223 ? 27.260 -6.773 7.037 1.00 25.45 ? 446 TYR B O 1 ATOM 4210 C CB . TYR B 1 223 ? 29.190 -6.435 4.865 1.00 21.57 ? 446 TYR B CB 1 ATOM 4211 C CG . TYR B 1 223 ? 29.686 -5.655 3.657 1.00 24.19 ? 446 TYR B CG 1 ATOM 4212 C CD1 . TYR B 1 223 ? 30.283 -6.311 2.582 1.00 31.54 ? 446 TYR B CD1 1 ATOM 4213 C CD2 . TYR B 1 223 ? 29.577 -4.266 3.602 1.00 28.77 ? 446 TYR B CD2 1 ATOM 4214 C CE1 . TYR B 1 223 ? 30.751 -5.604 1.472 1.00 29.92 ? 446 TYR B CE1 1 ATOM 4215 C CE2 . TYR B 1 223 ? 30.048 -3.547 2.489 1.00 30.22 ? 446 TYR B CE2 1 ATOM 4216 C CZ . TYR B 1 223 ? 30.636 -4.223 1.439 1.00 32.02 ? 446 TYR B CZ 1 ATOM 4217 O OH . TYR B 1 223 ? 31.104 -3.515 0.344 1.00 31.59 ? 446 TYR B OH 1 ATOM 4218 N N . ALA B 1 224 ? 27.133 -8.849 6.199 1.00 20.62 ? 447 ALA B N 1 ATOM 4219 C CA . ALA B 1 224 ? 26.711 -9.447 7.477 1.00 19.68 ? 447 ALA B CA 1 ATOM 4220 C C . ALA B 1 224 ? 27.809 -10.370 7.976 1.00 27.84 ? 447 ALA B C 1 ATOM 4221 O O . ALA B 1 224 ? 28.437 -11.058 7.179 1.00 28.23 ? 447 ALA B O 1 ATOM 4222 C CB . ALA B 1 224 ? 25.430 -10.213 7.300 1.00 24.81 ? 447 ALA B CB 1 ATOM 4223 N N . PHE B 1 225 ? 28.023 -10.396 9.292 1.00 20.31 ? 448 PHE B N 1 ATOM 4224 C CA . PHE B 1 225 ? 29.158 -11.094 9.888 1.00 21.77 ? 448 PHE B CA 1 ATOM 4225 C C . PHE B 1 225 ? 28.679 -11.723 11.195 1.00 25.65 ? 448 PHE B C 1 ATOM 4226 O O . PHE B 1 225 ? 27.751 -11.219 11.820 1.00 25.96 ? 448 PHE B O 1 ATOM 4227 C CB . PHE B 1 225 ? 30.266 -10.096 10.253 1.00 32.44 ? 448 PHE B CB 1 ATOM 4228 C CG . PHE B 1 225 ? 30.890 -9.398 9.080 1.00 47.78 ? 448 PHE B CG 1 ATOM 4229 C CD1 . PHE B 1 225 ? 31.866 -10.030 8.319 1.00 50.00 ? 448 PHE B CD1 1 ATOM 4230 C CD2 . PHE B 1 225 ? 30.539 -8.094 8.764 1.00 52.17 ? 448 PHE B CD2 1 ATOM 4231 C CE1 . PHE B 1 225 ? 32.466 -9.388 7.238 1.00 42.18 ? 448 PHE B CE1 1 ATOM 4232 C CE2 . PHE B 1 225 ? 31.136 -7.440 7.679 1.00 49.38 ? 448 PHE B CE2 1 ATOM 4233 C CZ . PHE B 1 225 ? 32.102 -8.091 6.919 1.00 39.68 ? 448 PHE B CZ 1 ATOM 4234 N N . ALA B 1 226 ? 29.326 -12.808 11.610 1.00 21.75 ? 449 ALA B N 1 ATOM 4235 C CA . ALA B 1 226 ? 29.072 -13.414 12.918 1.00 27.17 ? 449 ALA B CA 1 ATOM 4236 C C . ALA B 1 226 ? 30.354 -13.383 13.747 1.00 31.84 ? 449 ALA B C 1 ATOM 4237 O O . ALA B 1 226 ? 31.443 -13.618 13.219 1.00 23.76 ? 449 ALA B O 1 ATOM 4238 C CB . ALA B 1 226 ? 28.607 -14.850 12.751 1.00 24.74 ? 449 ALA B CB 1 ATOM 4239 N N . THR B 1 227 ? 30.235 -13.091 15.036 1.00 21.93 ? 450 THR B N 1 ATOM 4240 C CA . THR B 1 227 ? 31.382 -13.255 15.920 1.00 19.81 ? 450 THR B CA 1 ATOM 4241 C C . THR B 1 227 ? 31.611 -14.752 16.109 1.00 25.69 ? 450 THR B C 1 ATOM 4242 O O . THR B 1 227 ? 30.703 -15.562 15.858 1.00 24.40 ? 450 THR B O 1 ATOM 4243 C CB . THR B 1 227 ? 31.169 -12.562 17.278 1.00 32.13 ? 450 THR B CB 1 ATOM 4244 O OG1 . THR B 1 227 ? 30.029 -13.129 17.928 1.00 28.26 ? 450 THR B OG1 1 ATOM 4245 C CG2 . THR B 1 227 ? 30.939 -11.074 17.071 1.00 32.00 ? 450 THR B CG2 1 ATOM 4246 N N . PRO B 1 228 ? 32.826 -15.136 16.542 1.00 22.81 ? 451 PRO B N 1 ATOM 4247 C CA . PRO B 1 228 ? 33.155 -16.562 16.568 1.00 23.35 ? 451 PRO B CA 1 ATOM 4248 C C . PRO B 1 228 ? 32.582 -17.228 17.800 1.00 23.03 ? 451 PRO B C 1 ATOM 4249 O O . PRO B 1 228 ? 32.240 -16.546 18.762 1.00 25.09 ? 451 PRO B O 1 ATOM 4250 C CB . PRO B 1 228 ? 34.685 -16.556 16.671 1.00 20.72 ? 451 PRO B CB 1 ATOM 4251 C CG . PRO B 1 228 ? 34.957 -15.294 17.445 1.00 26.17 ? 451 PRO B CG 1 ATOM 4252 C CD . PRO B 1 228 ? 34.008 -14.304 16.812 1.00 23.48 ? 451 PRO B CD 1 ATOM 4253 N N . GLU B 1 229 ? 32.491 -18.547 17.785 1.00 24.71 ? 452 GLU B N 1 ATOM 4254 C CA . GLU B 1 229 ? 32.084 -19.230 18.994 1.00 25.76 ? 452 GLU B CA 1 ATOM 4255 C C . GLU B 1 229 ? 33.247 -19.272 19.958 1.00 32.29 ? 452 GLU B C 1 ATOM 4256 O O . GLU B 1 229 ? 34.376 -19.531 19.568 1.00 25.43 ? 452 GLU B O 1 ATOM 4257 C CB . GLU B 1 229 ? 31.612 -20.648 18.728 1.00 32.62 ? 452 GLU B CB 1 ATOM 4258 C CG . GLU B 1 229 ? 31.022 -21.244 19.989 1.00 42.92 ? 452 GLU B CG 1 ATOM 4259 C CD . GLU B 1 229 ? 30.748 -22.718 19.892 1.00 57.55 ? 452 GLU B CD 1 ATOM 4260 O OE1 . GLU B 1 229 ? 31.251 -23.456 20.765 1.00 67.77 ? 452 GLU B OE1 1 ATOM 4261 O OE2 . GLU B 1 229 ? 30.027 -23.138 18.961 1.00 58.88 ? 452 GLU B OE2 1 ATOM 4262 N N . TRP B 1 230 ? 32.968 -19.020 21.226 1.00 23.70 ? 453 TRP B N 1 ATOM 4263 C CA . TRP B 1 230 ? 34.011 -19.099 22.238 1.00 28.25 ? 453 TRP B CA 1 ATOM 4264 C C . TRP B 1 230 ? 33.344 -19.392 23.586 1.00 34.71 ? 453 TRP B C 1 ATOM 4265 O O . TRP B 1 230 ? 32.117 -19.419 23.678 1.00 31.08 ? 453 TRP B O 1 ATOM 4266 C CB . TRP B 1 230 ? 34.827 -17.808 22.264 1.00 33.96 ? 453 TRP B CB 1 ATOM 4267 C CG . TRP B 1 230 ? 34.050 -16.634 22.734 1.00 36.36 ? 453 TRP B CG 1 ATOM 4268 C CD1 . TRP B 1 230 ? 33.002 -16.029 22.097 1.00 38.88 ? 453 TRP B CD1 1 ATOM 4269 C CD2 . TRP B 1 230 ? 34.242 -15.921 23.959 1.00 37.94 ? 453 TRP B CD2 1 ATOM 4270 N NE1 . TRP B 1 230 ? 32.534 -14.976 22.850 1.00 39.63 ? 453 TRP B NE1 1 ATOM 4271 C CE2 . TRP B 1 230 ? 33.281 -14.889 23.997 1.00 42.02 ? 453 TRP B CE2 1 ATOM 4272 C CE3 . TRP B 1 230 ? 35.139 -16.050 25.024 1.00 41.44 ? 453 TRP B CE3 1 ATOM 4273 C CZ2 . TRP B 1 230 ? 33.190 -13.995 25.064 1.00 44.77 ? 453 TRP B CZ2 1 ATOM 4274 C CZ3 . TRP B 1 230 ? 35.047 -15.161 26.078 1.00 44.34 ? 453 TRP B CZ3 1 ATOM 4275 C CH2 . TRP B 1 230 ? 34.082 -14.148 26.091 1.00 41.69 ? 453 TRP B CH2 1 ATOM 4276 N N . PRO B 1 231 ? 34.146 -19.644 24.625 1.00 33.64 ? 454 PRO B N 1 ATOM 4277 C CA . PRO B 1 231 ? 33.548 -20.091 25.894 1.00 37.52 ? 454 PRO B CA 1 ATOM 4278 C C . PRO B 1 231 ? 32.470 -19.144 26.431 1.00 38.14 ? 454 PRO B C 1 ATOM 4279 O O . PRO B 1 231 ? 31.525 -19.595 27.086 1.00 41.48 ? 454 PRO B O 1 ATOM 4280 C CB . PRO B 1 231 ? 34.746 -20.137 26.842 1.00 41.75 ? 454 PRO B CB 1 ATOM 4281 C CG . PRO B 1 231 ? 35.910 -20.420 25.944 1.00 45.42 ? 454 PRO B CG 1 ATOM 4282 C CD . PRO B 1 231 ? 35.619 -19.682 24.657 1.00 33.18 ? 454 PRO B CD 1 ATOM 4283 N N . GLY B 1 232 ? 32.609 -17.852 26.153 1.00 30.47 ? 455 GLY B N 1 ATOM 4284 C CA . GLY B 1 232 ? 31.672 -16.863 26.652 1.00 41.67 ? 455 GLY B CA 1 ATOM 4285 C C . GLY B 1 232 ? 30.379 -16.754 25.857 1.00 42.16 ? 455 GLY B C 1 ATOM 4286 O O . GLY B 1 232 ? 29.483 -16.008 26.240 1.00 46.08 ? 455 GLY B O 1 ATOM 4287 N N . SER B 1 233 ? 30.272 -17.489 24.752 1.00 38.73 ? 456 SER B N 1 ATOM 4288 C CA . SER B 1 233 ? 29.062 -17.435 23.926 1.00 45.80 ? 456 SER B CA 1 ATOM 4289 C C . SER B 1 233 ? 28.742 -18.779 23.266 1.00 46.58 ? 456 SER B C 1 ATOM 4290 O O . SER B 1 233 ? 28.836 -18.924 22.045 1.00 46.16 ? 456 SER B O 1 ATOM 4291 C CB . SER B 1 233 ? 29.163 -16.324 22.866 1.00 65.25 ? 456 SER B CB 1 ATOM 4292 O OG . SER B 1 233 ? 30.080 -16.655 21.833 1.00 72.45 ? 456 SER B OG 1 ATOM 4293 N N . ARG B 1 234 ? 28.356 -19.761 24.076 1.00 45.48 ? 457 ARG B N 1 ATOM 4294 C CA . ARG B 1 234 ? 28.058 -21.088 23.545 1.00 55.74 ? 457 ARG B CA 1 ATOM 4295 C C . ARG B 1 234 ? 26.605 -21.260 23.076 1.00 52.54 ? 457 ARG B C 1 ATOM 4296 O O . ARG B 1 234 ? 26.355 -21.922 22.066 1.00 55.51 ? 457 ARG B O 1 ATOM 4297 C CB . ARG B 1 234 ? 28.477 -22.174 24.541 1.00 69.50 ? 457 ARG B CB 1 ATOM 4298 C CG . ARG B 1 234 ? 29.971 -22.133 24.836 1.00 75.71 ? 457 ARG B CG 1 ATOM 4299 C CD . ARG B 1 234 ? 30.481 -23.365 25.559 1.00 84.10 ? 457 ARG B CD 1 ATOM 4300 N NE . ARG B 1 234 ? 31.926 -23.277 25.756 1.00 89.01 ? 457 ARG B NE 1 ATOM 4301 C CZ . ARG B 1 234 ? 32.671 -24.215 26.330 1.00 95.29 ? 457 ARG B CZ 1 ATOM 4302 N NH1 . ARG B 1 234 ? 33.979 -24.032 26.456 1.00 95.49 ? 457 ARG B NH1 1 ATOM 4303 N NH2 . ARG B 1 234 ? 32.115 -25.333 26.778 1.00 97.85 ? 457 ARG B NH2 1 ATOM 4304 N N . ASP B 1 235 ? 25.659 -20.646 23.785 1.00 39.52 ? 458 ASP B N 1 ATOM 4305 C CA . ASP B 1 235 ? 24.235 -20.746 23.425 1.00 43.25 ? 458 ASP B CA 1 ATOM 4306 C C . ASP B 1 235 ? 23.619 -19.453 22.872 1.00 41.49 ? 458 ASP B C 1 ATOM 4307 O O . ASP B 1 235 ? 22.406 -19.365 22.672 1.00 32.95 ? 458 ASP B O 1 ATOM 4308 C CB . ASP B 1 235 ? 23.408 -21.246 24.608 1.00 52.85 ? 458 ASP B CB 1 ATOM 4309 C CG . ASP B 1 235 ? 23.447 -22.753 24.745 1.00 65.98 ? 458 ASP B CG 1 ATOM 4310 O OD1 . ASP B 1 235 ? 24.555 -23.328 24.681 1.00 58.91 ? 458 ASP B OD1 1 ATOM 4311 O OD2 . ASP B 1 235 ? 22.366 -23.360 24.909 1.00 74.26 ? 458 ASP B OD2 1 ATOM 4312 N N . LYS B 1 236 ? 24.460 -18.453 22.648 1.00 39.21 ? 459 LYS B N 1 ATOM 4313 C CA . LYS B 1 236 ? 24.051 -17.225 21.987 1.00 35.16 ? 459 LYS B CA 1 ATOM 4314 C C . LYS B 1 236 ? 25.167 -16.832 21.041 1.00 32.07 ? 459 LYS B C 1 ATOM 4315 O O . LYS B 1 236 ? 26.320 -17.204 21.254 1.00 34.52 ? 459 LYS B O 1 ATOM 4316 C CB . LYS B 1 236 ? 23.812 -16.109 23.002 1.00 40.58 ? 459 LYS B CB 1 ATOM 4317 C CG . LYS B 1 236 ? 22.536 -16.274 23.809 1.00 49.75 ? 459 LYS B CG 1 ATOM 4318 C CD . LYS B 1 236 ? 22.255 -15.048 24.665 1.00 61.99 ? 459 LYS B CD 1 ATOM 4319 C CE . LYS B 1 236 ? 20.923 -15.180 25.396 1.00 73.17 ? 459 LYS B CE 1 ATOM 4320 N NZ . LYS B 1 236 ? 20.614 -13.989 26.240 1.00 76.59 ? 459 LYS B NZ 1 ATOM 4321 N N . ARG B 1 237 ? 24.832 -16.106 19.979 1.00 27.64 ? 460 ARG B N 1 ATOM 4322 C CA . ARG B 1 237 ? 25.861 -15.597 19.082 1.00 27.08 ? 460 ARG B CA 1 ATOM 4323 C C . ARG B 1 237 ? 25.541 -14.162 18.705 1.00 31.00 ? 460 ARG B C 1 ATOM 4324 O O . ARG B 1 237 ? 24.378 -13.782 18.647 1.00 27.95 ? 460 ARG B O 1 ATOM 4325 C CB . ARG B 1 237 ? 25.983 -16.487 17.843 1.00 32.83 ? 460 ARG B CB 1 ATOM 4326 C CG . ARG B 1 237 ? 26.430 -17.908 18.188 1.00 40.10 ? 460 ARG B CG 1 ATOM 4327 C CD . ARG B 1 237 ? 27.907 -17.925 18.555 1.00 40.14 ? 460 ARG B CD 1 ATOM 4328 N NE . ARG B 1 237 ? 28.699 -17.587 17.387 1.00 38.95 ? 460 ARG B NE 1 ATOM 4329 C CZ . ARG B 1 237 ? 29.038 -18.472 16.455 1.00 43.27 ? 460 ARG B CZ 1 ATOM 4330 N NH1 . ARG B 1 237 ? 28.646 -19.732 16.593 1.00 34.93 ? 460 ARG B NH1 1 ATOM 4331 N NH2 . ARG B 1 237 ? 29.751 -18.100 15.390 1.00 31.45 ? 460 ARG B NH2 1 ATOM 4332 N N . THR B 1 238 ? 26.571 -13.354 18.477 1.00 27.57 ? 461 THR B N 1 ATOM 4333 C CA . THR B 1 238 ? 26.349 -11.971 18.059 1.00 26.28 ? 461 THR B CA 1 ATOM 4334 C C . THR B 1 238 ? 26.573 -11.786 16.557 1.00 22.94 ? 461 THR B C 1 ATOM 4335 O O . THR B 1 238 ? 27.655 -12.083 16.042 1.00 25.55 ? 461 THR B O 1 ATOM 4336 C CB . THR B 1 238 ? 27.266 -11.004 18.826 1.00 28.46 ? 461 THR B CB 1 ATOM 4337 O OG1 . THR B 1 238 ? 27.060 -11.176 20.233 1.00 28.71 ? 461 THR B OG1 1 ATOM 4338 C CG2 . THR B 1 238 ? 26.954 -9.568 18.439 1.00 25.88 ? 461 THR B CG2 1 ATOM 4339 N N . LEU B 1 239 ? 25.549 -11.286 15.871 1.00 20.81 ? 462 LEU B N 1 ATOM 4340 C CA . LEU B 1 239 ? 25.643 -10.981 14.452 1.00 23.98 ? 462 LEU B CA 1 ATOM 4341 C C . LEU B 1 239 ? 25.770 -9.481 14.269 1.00 26.26 ? 462 LEU B C 1 ATOM 4342 O O . LEU B 1 239 ? 25.259 -8.697 15.069 1.00 25.40 ? 462 LEU B O 1 ATOM 4343 C CB . LEU B 1 239 ? 24.390 -11.461 13.713 1.00 22.09 ? 462 LEU B CB 1 ATOM 4344 C CG . LEU B 1 239 ? 23.986 -12.905 13.963 1.00 25.43 ? 462 LEU B CG 1 ATOM 4345 C CD1 . LEU B 1 239 ? 22.885 -13.318 12.992 1.00 24.06 ? 462 LEU B CD1 1 ATOM 4346 C CD2 . LEU B 1 239 ? 25.209 -13.800 13.798 1.00 27.46 ? 462 LEU B CD2 1 ATOM 4347 N N . ALA B 1 240 ? 26.432 -9.077 13.193 1.00 21.36 ? 463 ALA B N 1 ATOM 4348 C CA . ALA B 1 240 ? 26.544 -7.669 12.890 1.00 22.81 ? 463 ALA B CA 1 ATOM 4349 C C . ALA B 1 240 ? 26.346 -7.449 11.402 1.00 24.66 ? 463 ALA B C 1 ATOM 4350 O O . ALA B 1 240 ? 26.606 -8.337 10.589 1.00 28.46 ? 463 ALA B O 1 ATOM 4351 C CB . ALA B 1 240 ? 27.890 -7.140 13.335 1.00 23.19 ? 463 ALA B CB 1 ATOM 4352 N N . CYS B 1 241 ? 25.870 -6.262 11.059 1.00 22.29 ? 464 CYS B N 1 ATOM 4353 C CA . CYS B 1 241 ? 25.665 -5.903 9.668 1.00 20.54 ? 464 CYS B CA 1 ATOM 4354 C C . CYS B 1 241 ? 26.156 -4.483 9.463 1.00 23.23 ? 464 CYS B C 1 ATOM 4355 O O . CYS B 1 241 ? 25.886 -3.591 10.274 1.00 25.33 ? 464 CYS B O 1 ATOM 4356 C CB . CYS B 1 241 ? 24.183 -6.004 9.306 1.00 24.38 ? 464 CYS B CB 1 ATOM 4357 S SG . CYS B 1 241 ? 23.893 -5.794 7.535 1.00 27.40 ? 464 CYS B SG 1 ATOM 4358 N N . LEU B 1 242 ? 26.917 -4.293 8.397 1.00 21.63 ? 465 LEU B N 1 ATOM 4359 C CA . LEU B 1 242 ? 27.374 -2.976 8.003 1.00 21.75 ? 465 LEU B CA 1 ATOM 4360 C C . LEU B 1 242 ? 26.684 -2.670 6.692 1.00 22.89 ? 465 LEU B C 1 ATOM 4361 O O . LEU B 1 242 ? 26.807 -3.430 5.720 1.00 25.39 ? 465 LEU B O 1 ATOM 4362 C CB . LEU B 1 242 ? 28.891 -2.970 7.794 1.00 21.51 ? 465 LEU B CB 1 ATOM 4363 C CG . LEU B 1 242 ? 29.493 -1.758 7.077 1.00 23.71 ? 465 LEU B CG 1 ATOM 4364 C CD1 . LEU B 1 242 ? 29.148 -0.466 7.805 1.00 24.68 ? 465 LEU B CD1 1 ATOM 4365 C CD2 . LEU B 1 242 ? 31.037 -1.912 6.919 1.00 24.04 ? 465 LEU B CD2 1 ATOM 4366 N N . ILE B 1 243 ? 25.949 -1.563 6.664 1.00 20.23 ? 466 ILE B N 1 ATOM 4367 C CA . ILE B 1 243 ? 25.327 -1.090 5.429 1.00 24.31 ? 466 ILE B CA 1 ATOM 4368 C C . ILE B 1 243 ? 25.950 0.260 5.088 1.00 26.32 ? 466 ILE B C 1 ATOM 4369 O O . ILE B 1 243 ? 25.966 1.158 5.924 1.00 21.47 ? 466 ILE B O 1 ATOM 4370 C CB . ILE B 1 243 ? 23.800 -0.941 5.602 1.00 23.46 ? 466 ILE B CB 1 ATOM 4371 C CG1 . ILE B 1 243 ? 23.182 -2.262 6.070 1.00 27.24 ? 466 ILE B CG1 1 ATOM 4372 C CG2 . ILE B 1 243 ? 23.137 -0.468 4.311 1.00 25.78 ? 466 ILE B CG2 1 ATOM 4373 C CD1 . ILE B 1 243 ? 22.945 -2.322 7.580 1.00 37.36 ? 466 ILE B CD1 1 ATOM 4374 N N . GLN B 1 244 ? 26.471 0.425 3.874 1.00 23.65 ? 467 GLN B N 1 ATOM 4375 C CA . GLN B 1 244 ? 27.234 1.637 3.609 1.00 21.47 ? 467 GLN B CA 1 ATOM 4376 C C . GLN B 1 244 ? 27.212 2.147 2.178 1.00 27.06 ? 467 GLN B C 1 ATOM 4377 O O . GLN B 1 244 ? 26.815 1.436 1.250 1.00 24.34 ? 467 GLN B O 1 ATOM 4378 C CB . GLN B 1 244 ? 28.693 1.436 4.043 1.00 23.41 ? 467 GLN B CB 1 ATOM 4379 C CG . GLN B 1 244 ? 29.434 0.361 3.262 1.00 24.76 ? 467 GLN B CG 1 ATOM 4380 C CD . GLN B 1 244 ? 30.910 0.344 3.606 1.00 29.16 ? 467 GLN B CD 1 ATOM 4381 O OE1 . GLN B 1 244 ? 31.302 0.750 4.700 1.00 28.21 ? 467 GLN B OE1 1 ATOM 4382 N NE2 . GLN B 1 244 ? 31.732 -0.115 2.678 1.00 29.03 ? 467 GLN B NE2 1 ATOM 4383 N N . ASN B 1 245 ? 27.679 3.386 2.037 1.00 24.71 ? 468 ASN B N 1 ATOM 4384 C CA . ASN B 1 245 ? 27.916 4.053 0.758 1.00 26.89 ? 468 ASN B CA 1 ATOM 4385 C C . ASN B 1 245 ? 26.625 4.427 0.027 1.00 31.73 ? 468 ASN B C 1 ATOM 4386 O O . ASN B 1 245 ? 26.648 4.722 -1.162 1.00 28.89 ? 468 ASN B O 1 ATOM 4387 C CB . ASN B 1 245 ? 28.853 3.229 -0.133 1.00 29.12 ? 468 ASN B CB 1 ATOM 4388 C CG . ASN B 1 245 ? 30.273 3.176 0.417 1.00 35.43 ? 468 ASN B CG 1 ATOM 4389 O OD1 . ASN B 1 245 ? 30.647 3.992 1.252 1.00 33.03 ? 468 ASN B OD1 1 ATOM 4390 N ND2 . ASN B 1 245 ? 31.062 2.220 -0.048 1.00 30.68 ? 468 ASN B ND2 1 ATOM 4391 N N . PHE B 1 246 ? 25.510 4.442 0.753 1.00 24.63 ? 469 PHE B N 1 ATOM 4392 C CA . PHE B 1 246 ? 24.233 4.831 0.158 1.00 21.21 ? 469 PHE B CA 1 ATOM 4393 C C . PHE B 1 246 ? 23.976 6.342 0.242 1.00 24.52 ? 469 PHE B C 1 ATOM 4394 O O . PHE B 1 246 ? 24.531 7.019 1.101 1.00 24.81 ? 469 PHE B O 1 ATOM 4395 C CB . PHE B 1 246 ? 23.082 4.051 0.796 1.00 23.72 ? 469 PHE B CB 1 ATOM 4396 C CG . PHE B 1 246 ? 23.023 4.148 2.300 1.00 27.64 ? 469 PHE B CG 1 ATOM 4397 C CD1 . PHE B 1 246 ? 23.735 3.262 3.097 1.00 23.97 ? 469 PHE B CD1 1 ATOM 4398 C CD2 . PHE B 1 246 ? 22.225 5.102 2.916 1.00 19.99 ? 469 PHE B CD2 1 ATOM 4399 C CE1 . PHE B 1 246 ? 23.670 3.331 4.495 1.00 25.77 ? 469 PHE B CE1 1 ATOM 4400 C CE2 . PHE B 1 246 ? 22.155 5.189 4.305 1.00 27.52 ? 469 PHE B CE2 1 ATOM 4401 C CZ . PHE B 1 246 ? 22.879 4.294 5.098 1.00 25.21 ? 469 PHE B CZ 1 ATOM 4402 N N . MET B 1 247 ? 23.140 6.854 -0.665 1.00 22.93 ? 470 MET B N 1 ATOM 4403 C CA . MET B 1 247 ? 22.673 8.241 -0.646 1.00 22.58 ? 470 MET B CA 1 ATOM 4404 C C . MET B 1 247 ? 21.320 8.290 -1.349 1.00 23.04 ? 470 MET B C 1 ATOM 4405 O O . MET B 1 247 ? 21.144 7.646 -2.385 1.00 26.51 ? 470 MET B O 1 ATOM 4406 C CB . MET B 1 247 ? 23.637 9.166 -1.409 1.00 25.48 ? 470 MET B CB 1 ATOM 4407 C CG . MET B 1 247 ? 24.758 9.782 -0.601 1.00 39.90 ? 470 MET B CG 1 ATOM 4408 S SD . MET B 1 247 ? 25.611 11.040 -1.591 1.00 50.99 ? 470 MET B SD 1 ATOM 4409 C CE . MET B 1 247 ? 24.654 12.490 -1.159 1.00 56.73 ? 470 MET B CE 1 ATOM 4410 N N . PRO B 1 248 ? 20.355 9.049 -0.798 1.00 31.19 ? 471 PRO B N 1 ATOM 4411 C CA . PRO B 1 248 ? 20.468 9.872 0.408 1.00 28.04 ? 471 PRO B CA 1 ATOM 4412 C C . PRO B 1 248 ? 20.455 8.995 1.644 1.00 24.49 ? 471 PRO B C 1 ATOM 4413 O O . PRO B 1 248 ? 20.483 7.765 1.530 1.00 24.74 ? 471 PRO B O 1 ATOM 4414 C CB . PRO B 1 248 ? 19.179 10.717 0.397 1.00 36.08 ? 471 PRO B CB 1 ATOM 4415 C CG . PRO B 1 248 ? 18.420 10.322 -0.849 1.00 42.12 ? 471 PRO B CG 1 ATOM 4416 C CD . PRO B 1 248 ? 18.976 9.018 -1.310 1.00 37.50 ? 471 PRO B CD 1 ATOM 4417 N N . GLU B 1 249 ? 20.373 9.617 2.816 1.00 27.90 ? 472 GLU B N 1 ATOM 4418 C CA . GLU B 1 249 ? 20.508 8.869 4.062 1.00 25.74 ? 472 GLU B CA 1 ATOM 4419 C C . GLU B 1 249 ? 19.310 8.001 4.443 1.00 27.38 ? 472 GLU B C 1 ATOM 4420 O O . GLU B 1 249 ? 19.448 7.111 5.286 1.00 29.45 ? 472 GLU B O 1 ATOM 4421 C CB . GLU B 1 249 ? 20.882 9.803 5.214 1.00 26.37 ? 472 GLU B CB 1 ATOM 4422 C CG . GLU B 1 249 ? 19.734 10.560 5.817 1.00 33.34 ? 472 GLU B CG 1 ATOM 4423 C CD . GLU B 1 249 ? 20.122 11.190 7.138 1.00 47.34 ? 472 GLU B CD 1 ATOM 4424 O OE1 . GLU B 1 249 ? 19.688 10.681 8.192 1.00 47.43 ? 472 GLU B OE1 1 ATOM 4425 O OE2 . GLU B 1 249 ? 20.887 12.176 7.118 1.00 50.93 ? 472 GLU B OE2 1 ATOM 4426 N N . ASP B 1 250 ? 18.142 8.256 3.847 1.00 28.17 ? 473 ASP B N 1 ATOM 4427 C CA . ASP B 1 250 ? 16.930 7.500 4.183 1.00 28.94 ? 473 ASP B CA 1 ATOM 4428 C C . ASP B 1 250 ? 17.073 6.009 3.935 1.00 28.27 ? 473 ASP B C 1 ATOM 4429 O O . ASP B 1 250 ? 17.231 5.575 2.795 1.00 23.33 ? 473 ASP B O 1 ATOM 4430 C CB . ASP B 1 250 ? 15.722 7.978 3.371 1.00 30.30 ? 473 ASP B CB 1 ATOM 4431 C CG . ASP B 1 250 ? 15.529 9.471 3.425 1.00 44.08 ? 473 ASP B CG 1 ATOM 4432 O OD1 . ASP B 1 250 ? 14.527 9.908 4.029 1.00 43.06 ? 473 ASP B OD1 1 ATOM 4433 O OD2 . ASP B 1 250 ? 16.362 10.203 2.847 1.00 41.67 ? 473 ASP B OD2 1 ATOM 4434 N N . ILE B 1 251 ? 16.959 5.215 4.990 1.00 22.47 ? 474 ILE B N 1 ATOM 4435 C CA . ILE B 1 251 ? 17.111 3.775 4.841 1.00 24.38 ? 474 ILE B CA 1 ATOM 4436 C C . ILE B 1 251 ? 16.297 3.046 5.892 1.00 26.56 ? 474 ILE B C 1 ATOM 4437 O O . ILE B 1 251 ? 16.082 3.559 6.997 1.00 28.40 ? 474 ILE B O 1 ATOM 4438 C CB . ILE B 1 251 ? 18.621 3.368 4.899 1.00 25.53 ? 474 ILE B CB 1 ATOM 4439 C CG1 . ILE B 1 251 ? 18.860 1.993 4.259 1.00 25.79 ? 474 ILE B CG1 1 ATOM 4440 C CG2 . ILE B 1 251 ? 19.155 3.456 6.320 1.00 27.42 ? 474 ILE B CG2 1 ATOM 4441 C CD1 . ILE B 1 251 ? 20.305 1.798 3.731 1.00 25.83 ? 474 ILE B CD1 1 ATOM 4442 N N . SER B 1 252 ? 15.798 1.867 5.535 1.00 24.26 ? 475 SER B N 1 ATOM 4443 C CA . SER B 1 252 ? 15.175 0.992 6.524 1.00 26.85 ? 475 SER B CA 1 ATOM 4444 C C . SER B 1 252 ? 15.964 -0.299 6.615 1.00 27.42 ? 475 SER B C 1 ATOM 4445 O O . SER B 1 252 ? 16.210 -0.950 5.606 1.00 27.87 ? 475 SER B O 1 ATOM 4446 C CB . SER B 1 252 ? 13.721 0.680 6.163 1.00 24.73 ? 475 SER B CB 1 ATOM 4447 O OG . SER B 1 252 ? 12.962 1.867 6.083 1.00 27.38 ? 475 SER B OG 1 ATOM 4448 N N . VAL B 1 253 ? 16.338 -0.679 7.830 1.00 22.84 ? 476 VAL B N 1 ATOM 4449 C CA . VAL B 1 253 ? 17.149 -1.873 8.032 1.00 22.40 ? 476 VAL B CA 1 ATOM 4450 C C . VAL B 1 253 ? 16.358 -2.866 8.883 1.00 24.64 ? 476 VAL B C 1 ATOM 4451 O O . VAL B 1 253 ? 15.802 -2.501 9.914 1.00 27.68 ? 476 VAL B O 1 ATOM 4452 C CB . VAL B 1 253 ? 18.461 -1.512 8.746 1.00 24.59 ? 476 VAL B CB 1 ATOM 4453 C CG1 . VAL B 1 253 ? 19.209 -2.776 9.179 1.00 27.96 ? 476 VAL B CG1 1 ATOM 4454 C CG2 . VAL B 1 253 ? 19.325 -0.646 7.853 1.00 29.86 ? 476 VAL B CG2 1 ATOM 4455 N N . GLN B 1 254 ? 16.278 -4.110 8.437 1.00 22.67 ? 477 GLN B N 1 ATOM 4456 C CA . GLN B 1 254 ? 15.591 -5.132 9.216 1.00 25.57 ? 477 GLN B CA 1 ATOM 4457 C C . GLN B 1 254 ? 16.415 -6.398 9.251 1.00 26.06 ? 477 GLN B C 1 ATOM 4458 O O . GLN B 1 254 ? 17.230 -6.638 8.371 1.00 21.83 ? 477 GLN B O 1 ATOM 4459 C CB . GLN B 1 254 ? 14.255 -5.452 8.564 1.00 26.54 ? 477 GLN B CB 1 ATOM 4460 C CG . GLN B 1 254 ? 13.349 -4.260 8.502 1.00 35.93 ? 477 GLN B CG 1 ATOM 4461 C CD . GLN B 1 254 ? 12.808 -4.042 7.126 1.00 49.61 ? 477 GLN B CD 1 ATOM 4462 O OE1 . GLN B 1 254 ? 12.239 -4.948 6.520 1.00 45.64 ? 477 GLN B OE1 1 ATOM 4463 N NE2 . GLN B 1 254 ? 12.992 -2.833 6.607 1.00 68.28 ? 477 GLN B NE2 1 ATOM 4464 N N . TRP B 1 255 ? 16.161 -7.232 10.247 1.00 20.88 ? 478 TRP B N 1 ATOM 4465 C CA . TRP B 1 255 ? 16.705 -8.572 10.253 1.00 18.35 ? 478 TRP B CA 1 ATOM 4466 C C . TRP B 1 255 ? 15.564 -9.558 10.046 1.00 20.99 ? 478 TRP B C 1 ATOM 4467 O O . TRP B 1 255 ? 14.491 -9.438 10.671 1.00 22.82 ? 478 TRP B O 1 ATOM 4468 C CB . TRP B 1 255 ? 17.402 -8.860 11.576 1.00 18.42 ? 478 TRP B CB 1 ATOM 4469 C CG . TRP B 1 255 ? 18.725 -8.182 11.745 1.00 22.99 ? 478 TRP B CG 1 ATOM 4470 C CD1 . TRP B 1 255 ? 18.961 -6.959 12.298 1.00 20.09 ? 478 TRP B CD1 1 ATOM 4471 C CD2 . TRP B 1 255 ? 20.001 -8.722 11.390 1.00 19.14 ? 478 TRP B CD2 1 ATOM 4472 N NE1 . TRP B 1 255 ? 20.316 -6.694 12.302 1.00 21.56 ? 478 TRP B NE1 1 ATOM 4473 C CE2 . TRP B 1 255 ? 20.974 -7.761 11.746 1.00 21.56 ? 478 TRP B CE2 1 ATOM 4474 C CE3 . TRP B 1 255 ? 20.415 -9.923 10.796 1.00 19.35 ? 478 TRP B CE3 1 ATOM 4475 C CZ2 . TRP B 1 255 ? 22.340 -7.971 11.541 1.00 22.73 ? 478 TRP B CZ2 1 ATOM 4476 C CZ3 . TRP B 1 255 ? 21.776 -10.132 10.591 1.00 23.54 ? 478 TRP B CZ3 1 ATOM 4477 C CH2 . TRP B 1 255 ? 22.722 -9.151 10.960 1.00 25.81 ? 478 TRP B CH2 1 ATOM 4478 N N . LEU B 1 256 ? 15.799 -10.532 9.171 1.00 21.29 ? 479 LEU B N 1 ATOM 4479 C CA . LEU B 1 256 ? 14.793 -11.534 8.835 1.00 23.03 ? 479 LEU B CA 1 ATOM 4480 C C . LEU B 1 256 ? 15.307 -12.896 9.238 1.00 26.73 ? 479 LEU B C 1 ATOM 4481 O O . LEU B 1 256 ? 16.485 -13.186 9.050 1.00 22.75 ? 479 LEU B O 1 ATOM 4482 C CB . LEU B 1 256 ? 14.541 -11.545 7.326 1.00 22.94 ? 479 LEU B CB 1 ATOM 4483 C CG . LEU B 1 256 ? 14.356 -10.175 6.667 1.00 23.72 ? 479 LEU B CG 1 ATOM 4484 C CD1 . LEU B 1 256 ? 14.260 -10.304 5.147 1.00 27.75 ? 479 LEU B CD1 1 ATOM 4485 C CD2 . LEU B 1 256 ? 13.130 -9.486 7.257 1.00 24.98 ? 479 LEU B CD2 1 ATOM 4486 N N . HIS B 1 257 ? 14.422 -13.737 9.765 1.00 20.42 ? 480 HIS B N 1 ATOM 4487 C CA . HIS B 1 257 ? 14.790 -15.095 10.154 1.00 21.37 ? 480 HIS B CA 1 ATOM 4488 C C . HIS B 1 257 ? 13.613 -16.047 9.974 1.00 26.66 ? 480 HIS B C 1 ATOM 4489 O O . HIS B 1 257 ? 12.548 -15.835 10.552 1.00 25.25 ? 480 HIS B O 1 ATOM 4490 C CB . HIS B 1 257 ? 15.220 -15.138 11.622 1.00 23.11 ? 480 HIS B CB 1 ATOM 4491 C CG . HIS B 1 257 ? 15.499 -16.525 12.128 1.00 28.70 ? 480 HIS B CG 1 ATOM 4492 N ND1 . HIS B 1 257 ? 14.759 -17.115 13.129 1.00 31.19 ? 480 HIS B ND1 1 ATOM 4493 C CD2 . HIS B 1 257 ? 16.427 -17.437 11.760 1.00 24.96 ? 480 HIS B CD2 1 ATOM 4494 C CE1 . HIS B 1 257 ? 15.222 -18.331 13.360 1.00 31.85 ? 480 HIS B CE1 1 ATOM 4495 N NE2 . HIS B 1 257 ? 16.236 -18.551 12.544 1.00 25.69 ? 480 HIS B NE2 1 ATOM 4496 N N . ASN B 1 258 ? 13.813 -17.098 9.184 1.00 26.31 ? 481 ASN B N 1 ATOM 4497 C CA . ASN B 1 258 ? 12.821 -18.159 9.081 1.00 26.11 ? 481 ASN B CA 1 ATOM 4498 C C . ASN B 1 258 ? 11.449 -17.620 8.655 1.00 27.35 ? 481 ASN B C 1 ATOM 4499 O O . ASN B 1 258 ? 10.418 -18.031 9.192 1.00 27.79 ? 481 ASN B O 1 ATOM 4500 C CB . ASN B 1 258 ? 12.699 -18.886 10.422 1.00 28.33 ? 481 ASN B CB 1 ATOM 4501 C CG . ASN B 1 258 ? 12.016 -20.239 10.294 1.00 33.97 ? 481 ASN B CG 1 ATOM 4502 O OD1 . ASN B 1 258 ? 12.092 -20.887 9.252 1.00 37.25 ? 481 ASN B OD1 1 ATOM 4503 N ND2 . ASN B 1 258 ? 11.348 -20.669 11.356 1.00 32.72 ? 481 ASN B ND2 1 ATOM 4504 N N . GLU B 1 259 ? 11.460 -16.706 7.687 1.00 21.21 ? 482 GLU B N 1 ATOM 4505 C CA . GLU B 1 259 ? 10.239 -16.115 7.121 1.00 28.33 ? 482 GLU B CA 1 ATOM 4506 C C . GLU B 1 259 ? 9.555 -15.121 8.057 1.00 28.34 ? 482 GLU B C 1 ATOM 4507 O O . GLU B 1 259 ? 8.424 -14.687 7.806 1.00 26.10 ? 482 GLU B O 1 ATOM 4508 C CB . GLU B 1 259 ? 9.246 -17.199 6.690 1.00 36.16 ? 482 GLU B CB 1 ATOM 4509 C CG . GLU B 1 259 ? 9.873 -18.346 5.903 1.00 55.72 ? 482 GLU B CG 1 ATOM 4510 C CD . GLU B 1 259 ? 10.534 -17.893 4.612 1.00 77.25 ? 482 GLU B CD 1 ATOM 4511 O OE1 . GLU B 1 259 ? 10.011 -16.958 3.967 1.00 87.67 ? 482 GLU B OE1 1 ATOM 4512 O OE2 . GLU B 1 259 ? 11.574 -18.481 4.238 1.00 83.95 ? 482 GLU B OE2 1 ATOM 4513 N N . VAL B 1 260 ? 10.236 -14.769 9.140 1.00 19.42 ? 483 VAL B N 1 ATOM 4514 C CA . VAL B 1 260 ? 9.726 -13.755 10.042 1.00 21.06 ? 483 VAL B CA 1 ATOM 4515 C C . VAL B 1 260 ? 10.593 -12.506 9.962 1.00 26.69 ? 483 VAL B C 1 ATOM 4516 O O . VAL B 1 260 ? 11.826 -12.588 9.904 1.00 25.32 ? 483 VAL B O 1 ATOM 4517 C CB . VAL B 1 260 ? 9.701 -14.249 11.495 1.00 26.08 ? 483 VAL B CB 1 ATOM 4518 C CG1 . VAL B 1 260 ? 9.123 -13.166 12.404 1.00 28.61 ? 483 VAL B CG1 1 ATOM 4519 C CG2 . VAL B 1 260 ? 8.908 -15.543 11.604 1.00 30.98 ? 483 VAL B CG2 1 ATOM 4520 N N . GLN B 1 261 ? 9.944 -11.349 9.943 1.00 21.98 ? 484 GLN B N 1 ATOM 4521 C CA . GLN B 1 261 ? 10.659 -10.085 10.107 1.00 21.91 ? 484 GLN B CA 1 ATOM 4522 C C . GLN B 1 261 ? 10.780 -9.814 11.602 1.00 28.44 ? 484 GLN B C 1 ATOM 4523 O O . GLN B 1 261 ? 9.779 -9.571 12.270 1.00 23.66 ? 484 GLN B O 1 ATOM 4524 C CB . GLN B 1 261 ? 9.900 -8.955 9.415 1.00 22.71 ? 484 GLN B CB 1 ATOM 4525 C CG . GLN B 1 261 ? 10.461 -7.559 9.681 1.00 23.46 ? 484 GLN B CG 1 ATOM 4526 C CD . GLN B 1 261 ? 9.526 -6.471 9.203 1.00 43.60 ? 484 GLN B CD 1 ATOM 4527 O OE1 . GLN B 1 261 ? 9.196 -5.552 9.952 1.00 51.81 ? 484 GLN B OE1 1 ATOM 4528 N NE2 . GLN B 1 261 ? 9.073 -6.579 7.957 1.00 37.95 ? 484 GLN B NE2 1 ATOM 4529 N N . LEU B 1 262 ? 11.994 -9.868 12.140 1.00 22.02 ? 485 LEU B N 1 ATOM 4530 C CA . LEU B 1 262 ? 12.167 -9.754 13.589 1.00 21.92 ? 485 LEU B CA 1 ATOM 4531 C C . LEU B 1 262 ? 11.749 -8.373 14.082 1.00 26.94 ? 485 LEU B C 1 ATOM 4532 O O . LEU B 1 262 ? 11.866 -7.388 13.352 1.00 25.85 ? 485 LEU B O 1 ATOM 4533 C CB . LEU B 1 262 ? 13.616 -10.039 13.983 1.00 22.51 ? 485 LEU B CB 1 ATOM 4534 C CG . LEU B 1 262 ? 14.144 -11.448 13.695 1.00 26.00 ? 485 LEU B CG 1 ATOM 4535 C CD1 . LEU B 1 262 ? 15.569 -11.604 14.223 1.00 23.32 ? 485 LEU B CD1 1 ATOM 4536 C CD2 . LEU B 1 262 ? 13.237 -12.508 14.298 1.00 31.61 ? 485 LEU B CD2 1 ATOM 4537 N N . PRO B 1 263 ? 11.259 -8.297 15.327 1.00 28.02 ? 486 PRO B N 1 ATOM 4538 C CA . PRO B 1 263 ? 10.911 -7.003 15.918 1.00 27.15 ? 486 PRO B CA 1 ATOM 4539 C C . PRO B 1 263 ? 12.105 -6.058 15.909 1.00 30.09 ? 486 PRO B C 1 ATOM 4540 O O . PRO B 1 263 ? 13.238 -6.499 16.135 1.00 27.23 ? 486 PRO B O 1 ATOM 4541 C CB . PRO B 1 263 ? 10.529 -7.368 17.363 1.00 27.47 ? 486 PRO B CB 1 ATOM 4542 C CG . PRO B 1 263 ? 10.107 -8.800 17.289 1.00 31.18 ? 486 PRO B CG 1 ATOM 4543 C CD . PRO B 1 263 ? 11.012 -9.417 16.258 1.00 29.66 ? 486 PRO B CD 1 ATOM 4544 N N . ASP B 1 264 ? 11.852 -4.778 15.649 1.00 27.79 ? 487 ASP B N 1 ATOM 4545 C CA . ASP B 1 264 ? 12.906 -3.764 15.674 1.00 36.97 ? 487 ASP B CA 1 ATOM 4546 C C . ASP B 1 264 ? 13.677 -3.815 16.990 1.00 36.94 ? 487 ASP B C 1 ATOM 4547 O O . ASP B 1 264 ? 14.889 -3.574 17.029 1.00 31.11 ? 487 ASP B O 1 ATOM 4548 C CB . ASP B 1 264 ? 12.314 -2.364 15.472 1.00 46.85 ? 487 ASP B CB 1 ATOM 4549 C CG . ASP B 1 264 ? 11.423 -2.276 14.245 1.00 67.94 ? 487 ASP B CG 1 ATOM 4550 O OD1 . ASP B 1 264 ? 11.587 -3.106 13.326 1.00 71.87 ? 487 ASP B OD1 1 ATOM 4551 O OD2 . ASP B 1 264 ? 10.555 -1.375 14.198 1.00 72.14 ? 487 ASP B OD2 1 ATOM 4552 N N . ALA B 1 265 ? 12.963 -4.132 18.069 1.00 28.15 ? 488 ALA B N 1 ATOM 4553 C CA . ALA B 1 265 ? 13.562 -4.172 19.401 1.00 29.88 ? 488 ALA B CA 1 ATOM 4554 C C . ALA B 1 265 ? 14.712 -5.170 19.549 1.00 29.60 ? 488 ALA B C 1 ATOM 4555 O O . ALA B 1 265 ? 15.570 -4.996 20.411 1.00 28.01 ? 488 ALA B O 1 ATOM 4556 C CB . ALA B 1 265 ? 12.487 -4.442 20.458 1.00 37.89 ? 488 ALA B CB 1 ATOM 4557 N N . ARG B 1 266 ? 14.727 -6.210 18.716 1.00 25.96 ? 489 ARG B N 1 ATOM 4558 C CA . ARG B 1 266 ? 15.748 -7.252 18.805 1.00 23.46 ? 489 ARG B CA 1 ATOM 4559 C C . ARG B 1 266 ? 17.154 -6.735 18.493 1.00 25.58 ? 489 ARG B C 1 ATOM 4560 O O . ARG B 1 266 ? 18.137 -7.277 18.981 1.00 28.35 ? 489 ARG B O 1 ATOM 4561 C CB . ARG B 1 266 ? 15.434 -8.411 17.847 1.00 25.15 ? 489 ARG B CB 1 ATOM 4562 C CG . ARG B 1 266 ? 14.300 -9.312 18.291 1.00 23.80 ? 489 ARG B CG 1 ATOM 4563 C CD . ARG B 1 266 ? 14.701 -10.195 19.481 1.00 27.13 ? 489 ARG B CD 1 ATOM 4564 N NE . ARG B 1 266 ? 15.903 -10.999 19.228 1.00 28.17 ? 489 ARG B NE 1 ATOM 4565 C CZ . ARG B 1 266 ? 15.904 -12.163 18.583 1.00 32.19 ? 489 ARG B CZ 1 ATOM 4566 N NH1 . ARG B 1 266 ? 14.773 -12.666 18.115 1.00 27.43 ? 489 ARG B NH1 1 ATOM 4567 N NH2 . ARG B 1 266 ? 17.042 -12.827 18.398 1.00 32.50 ? 489 ARG B NH2 1 ATOM 4568 N N . HIS B 1 267 ? 17.259 -5.709 17.662 1.00 26.74 ? 490 HIS B N 1 ATOM 4569 C CA . HIS B 1 267 ? 18.582 -5.259 17.247 1.00 26.13 ? 490 HIS B CA 1 ATOM 4570 C C . HIS B 1 267 ? 18.836 -3.826 17.642 1.00 33.28 ? 490 HIS B C 1 ATOM 4571 O O . HIS B 1 267 ? 17.906 -3.069 17.928 1.00 32.42 ? 490 HIS B O 1 ATOM 4572 C CB . HIS B 1 267 ? 18.795 -5.449 15.730 1.00 26.66 ? 490 HIS B CB 1 ATOM 4573 C CG . HIS B 1 267 ? 17.730 -4.825 14.883 1.00 26.88 ? 490 HIS B CG 1 ATOM 4574 N ND1 . HIS B 1 267 ? 17.822 -3.535 14.406 1.00 32.54 ? 490 HIS B ND1 1 ATOM 4575 C CD2 . HIS B 1 267 ? 16.555 -5.315 14.419 1.00 25.31 ? 490 HIS B CD2 1 ATOM 4576 C CE1 . HIS B 1 267 ? 16.748 -3.255 13.690 1.00 37.84 ? 490 HIS B CE1 1 ATOM 4577 N NE2 . HIS B 1 267 ? 15.963 -4.317 13.682 1.00 30.45 ? 490 HIS B NE2 1 ATOM 4578 N N . SER B 1 268 ? 20.115 -3.473 17.678 1.00 26.85 ? 491 SER B N 1 ATOM 4579 C CA . SER B 1 268 ? 20.538 -2.108 17.928 1.00 29.31 ? 491 SER B CA 1 ATOM 4580 C C . SER B 1 268 ? 21.180 -1.580 16.655 1.00 34.98 ? 491 SER B C 1 ATOM 4581 O O . SER B 1 268 ? 22.217 -2.083 16.218 1.00 29.26 ? 491 SER B O 1 ATOM 4582 C CB . SER B 1 268 ? 21.531 -2.078 19.090 1.00 33.46 ? 491 SER B CB 1 ATOM 4583 O OG . SER B 1 268 ? 21.892 -0.752 19.416 1.00 35.81 ? 491 SER B OG 1 ATOM 4584 N N . THR B 1 269 ? 20.544 -0.590 16.040 1.00 27.06 ? 492 THR B N 1 ATOM 4585 C CA . THR B 1 269 ? 20.961 -0.123 14.723 1.00 25.13 ? 492 THR B CA 1 ATOM 4586 C C . THR B 1 269 ? 21.184 1.375 14.762 1.00 34.01 ? 492 THR B C 1 ATOM 4587 O O . THR B 1 269 ? 20.349 2.126 15.282 1.00 27.82 ? 492 THR B O 1 ATOM 4588 C CB . THR B 1 269 ? 19.909 -0.501 13.667 1.00 33.64 ? 492 THR B CB 1 ATOM 4589 O OG1 . THR B 1 269 ? 19.782 -1.927 13.644 1.00 36.56 ? 492 THR B OG1 1 ATOM 4590 C CG2 . THR B 1 269 ? 20.295 0.001 12.290 1.00 26.81 ? 492 THR B CG2 1 ATOM 4591 N N . THR B 1 270 ? 22.326 1.811 14.243 1.00 23.77 ? 493 THR B N 1 ATOM 4592 C CA . THR B 1 270 ? 22.679 3.216 14.336 1.00 29.55 ? 493 THR B CA 1 ATOM 4593 C C . THR B 1 270 ? 21.910 4.040 13.312 1.00 31.89 ? 493 THR B C 1 ATOM 4594 O O . THR B 1 270 ? 21.439 3.523 12.287 1.00 29.30 ? 493 THR B O 1 ATOM 4595 C CB . THR B 1 270 ? 24.188 3.444 14.154 1.00 32.82 ? 493 THR B CB 1 ATOM 4596 O OG1 . THR B 1 270 ? 24.595 2.972 12.861 1.00 28.96 ? 493 THR B OG1 1 ATOM 4597 C CG2 . THR B 1 270 ? 24.962 2.701 15.229 1.00 32.71 ? 493 THR B CG2 1 ATOM 4598 N N . GLN B 1 271 ? 21.767 5.325 13.603 1.00 29.62 ? 494 GLN B N 1 ATOM 4599 C CA . GLN B 1 271 ? 21.250 6.255 12.616 1.00 34.66 ? 494 GLN B CA 1 ATOM 4600 C C . GLN B 1 271 ? 22.374 6.526 11.615 1.00 36.08 ? 494 GLN B C 1 ATOM 4601 O O . GLN B 1 271 ? 23.545 6.532 11.987 1.00 30.49 ? 494 GLN B O 1 ATOM 4602 C CB . GLN B 1 271 ? 20.792 7.550 13.291 1.00 40.55 ? 494 GLN B CB 1 ATOM 4603 C CG . GLN B 1 271 ? 19.609 7.361 14.238 1.00 50.17 ? 494 GLN B CG 1 ATOM 4604 C CD . GLN B 1 271 ? 18.392 6.751 13.549 1.00 52.47 ? 494 GLN B CD 1 ATOM 4605 O OE1 . GLN B 1 271 ? 18.051 7.116 12.421 1.00 52.43 ? 494 GLN B OE1 1 ATOM 4606 N NE2 . GLN B 1 271 ? 17.732 5.820 14.230 1.00 52.32 ? 494 GLN B NE2 1 ATOM 4607 N N . PRO B 1 272 ? 22.021 6.743 10.337 1.00 33.25 ? 495 PRO B N 1 ATOM 4608 C CA . PRO B 1 272 ? 23.027 6.990 9.297 1.00 32.87 ? 495 PRO B CA 1 ATOM 4609 C C . PRO B 1 272 ? 24.026 8.075 9.680 1.00 34.20 ? 495 PRO B C 1 ATOM 4610 O O . PRO B 1 272 ? 23.639 9.140 10.177 1.00 34.74 ? 495 PRO B O 1 ATOM 4611 C CB . PRO B 1 272 ? 22.186 7.462 8.104 1.00 30.38 ? 495 PRO B CB 1 ATOM 4612 C CG . PRO B 1 272 ? 20.846 6.795 8.314 1.00 29.84 ? 495 PRO B CG 1 ATOM 4613 C CD . PRO B 1 272 ? 20.646 6.799 9.810 1.00 34.21 ? 495 PRO B CD 1 ATOM 4614 N N . ARG B 1 273 ? 25.302 7.793 9.436 1.00 28.66 ? 496 ARG B N 1 ATOM 4615 C CA . ARG B 1 273 ? 26.380 8.766 9.591 1.00 32.38 ? 496 ARG B CA 1 ATOM 4616 C C . ARG B 1 273 ? 27.158 8.863 8.289 1.00 35.98 ? 496 ARG B C 1 ATOM 4617 O O . ARG B 1 273 ? 27.304 7.870 7.583 1.00 30.42 ? 496 ARG B O 1 ATOM 4618 C CB . ARG B 1 273 ? 27.333 8.338 10.704 1.00 40.44 ? 496 ARG B CB 1 ATOM 4619 C CG . ARG B 1 273 ? 27.005 8.913 12.070 1.00 57.95 ? 496 ARG B CG 1 ATOM 4620 C CD . ARG B 1 273 ? 28.231 8.859 12.971 1.00 75.84 ? 496 ARG B CD 1 ATOM 4621 N NE . ARG B 1 273 ? 28.081 9.673 14.174 1.00 90.18 ? 496 ARG B NE 1 ATOM 4622 C CZ . ARG B 1 273 ? 28.243 10.991 14.208 1.00 103.92 ? 496 ARG B CZ 1 ATOM 4623 N NH1 . ARG B 1 273 ? 28.550 11.653 13.099 1.00 107.23 ? 496 ARG B NH1 1 ATOM 4624 N NH2 . ARG B 1 273 ? 28.092 11.650 15.350 1.00 110.26 ? 496 ARG B NH2 1 ATOM 4625 N N . LYS B 1 274 ? 27.663 10.050 7.968 1.00 41.25 ? 497 LYS B N 1 ATOM 4626 C CA . LYS B 1 274 ? 28.448 10.219 6.746 1.00 43.24 ? 497 LYS B CA 1 ATOM 4627 C C . LYS B 1 274 ? 29.707 9.366 6.804 1.00 44.67 ? 497 LYS B C 1 ATOM 4628 O O . LYS B 1 274 ? 30.323 9.233 7.866 1.00 38.89 ? 497 LYS B O 1 ATOM 4629 C CB . LYS B 1 274 ? 28.842 11.682 6.540 1.00 46.16 ? 497 LYS B CB 1 ATOM 4630 C CG . LYS B 1 274 ? 27.682 12.635 6.317 1.00 53.55 ? 497 LYS B CG 1 ATOM 4631 C CD . LYS B 1 274 ? 28.181 14.076 6.186 1.00 73.58 ? 497 LYS B CD 1 ATOM 4632 C CE . LYS B 1 274 ? 27.041 15.090 6.256 1.00 83.08 ? 497 LYS B CE 1 ATOM 4633 N NZ . LYS B 1 274 ? 26.080 14.964 5.119 1.00 84.94 ? 497 LYS B NZ 1 ATOM 4634 N N . THR B 1 275 ? 30.076 8.779 5.666 1.00 42.47 ? 498 THR B N 1 ATOM 4635 C CA . THR B 1 275 ? 31.360 8.099 5.533 1.00 43.35 ? 498 THR B CA 1 ATOM 4636 C C . THR B 1 275 ? 32.451 9.158 5.492 1.00 49.55 ? 498 THR B C 1 ATOM 4637 O O . THR B 1 275 ? 32.163 10.354 5.566 1.00 48.97 ? 498 THR B O 1 ATOM 4638 C CB . THR B 1 275 ? 31.444 7.270 4.236 1.00 38.04 ? 498 THR B CB 1 ATOM 4639 O OG1 . THR B 1 275 ? 31.407 8.147 3.100 1.00 39.62 ? 498 THR B OG1 1 ATOM 4640 C CG2 . THR B 1 275 ? 30.283 6.268 4.147 1.00 42.56 ? 498 THR B CG2 1 ATOM 4641 N N . LYS B 1 276 ? 33.701 8.723 5.364 1.00 42.23 ? 499 LYS B N 1 ATOM 4642 C CA . LYS B 1 276 ? 34.813 9.659 5.266 1.00 43.78 ? 499 LYS B CA 1 ATOM 4643 C C . LYS B 1 276 ? 34.843 10.284 3.876 1.00 48.16 ? 499 LYS B C 1 ATOM 4644 O O . LYS B 1 276 ? 35.701 11.111 3.570 1.00 56.83 ? 499 LYS B O 1 ATOM 4645 C CB . LYS B 1 276 ? 36.140 8.961 5.572 1.00 47.34 ? 499 LYS B CB 1 ATOM 4646 C CG . LYS B 1 276 ? 36.267 8.483 7.010 1.00 47.90 ? 499 LYS B CG 1 ATOM 4647 C CD . LYS B 1 276 ? 36.151 9.636 7.992 1.00 52.77 ? 499 LYS B CD 1 ATOM 4648 C CE . LYS B 1 276 ? 36.202 9.140 9.430 1.00 53.19 ? 499 LYS B CE 1 ATOM 4649 N NZ . LYS B 1 276 ? 36.264 10.256 10.419 1.00 51.35 ? 499 LYS B NZ 1 ATOM 4650 N N . GLY B 1 277 ? 33.893 9.891 3.037 1.00 44.19 ? 500 GLY B N 1 ATOM 4651 C CA . GLY B 1 277 ? 33.832 10.403 1.683 1.00 53.20 ? 500 GLY B CA 1 ATOM 4652 C C . GLY B 1 277 ? 32.407 10.639 1.242 1.00 59.21 ? 500 GLY B C 1 ATOM 4653 O O . GLY B 1 277 ? 31.713 11.509 1.770 1.00 59.84 ? 500 GLY B O 1 ATOM 4654 N N . SER B 1 278 ? 31.968 9.843 0.275 1.00 62.02 ? 501 SER B N 1 ATOM 4655 C CA . SER B 1 278 ? 30.628 9.968 -0.274 1.00 67.06 ? 501 SER B CA 1 ATOM 4656 C C . SER B 1 278 ? 29.688 8.880 0.250 1.00 63.48 ? 501 SER B C 1 ATOM 4657 O O . SER B 1 278 ? 29.984 7.684 0.169 1.00 58.49 ? 501 SER B O 1 ATOM 4658 C CB . SER B 1 278 ? 30.690 9.932 -1.801 1.00 73.11 ? 501 SER B CB 1 ATOM 4659 O OG . SER B 1 278 ? 31.667 9.003 -2.240 1.00 80.24 ? 501 SER B OG 1 ATOM 4660 N N . GLY B 1 279 ? 28.554 9.305 0.790 1.00 46.69 ? 502 GLY B N 1 ATOM 4661 C CA . GLY B 1 279 ? 27.529 8.375 1.217 1.00 33.83 ? 502 GLY B CA 1 ATOM 4662 C C . GLY B 1 279 ? 27.459 8.257 2.726 1.00 37.11 ? 502 GLY B C 1 ATOM 4663 O O . GLY B 1 279 ? 28.223 8.895 3.462 1.00 32.71 ? 502 GLY B O 1 ATOM 4664 N N . PHE B 1 280 ? 26.529 7.433 3.184 1.00 25.51 ? 503 PHE B N 1 ATOM 4665 C CA . PHE B 1 280 ? 26.340 7.208 4.601 1.00 23.27 ? 503 PHE B CA 1 ATOM 4666 C C . PHE B 1 280 ? 26.572 5.746 4.945 1.00 29.88 ? 503 PHE B C 1 ATOM 4667 O O . PHE B 1 280 ? 26.638 4.891 4.058 1.00 27.44 ? 503 PHE B O 1 ATOM 4668 C CB . PHE B 1 280 ? 24.918 7.605 4.995 1.00 27.25 ? 503 PHE B CB 1 ATOM 4669 C CG . PHE B 1 280 ? 24.616 9.056 4.773 1.00 35.31 ? 503 PHE B CG 1 ATOM 4670 C CD1 . PHE B 1 280 ? 24.775 9.975 5.800 1.00 34.93 ? 503 PHE B CD1 1 ATOM 4671 C CD2 . PHE B 1 280 ? 24.163 9.504 3.542 1.00 28.40 ? 503 PHE B CD2 1 ATOM 4672 C CE1 . PHE B 1 280 ? 24.485 11.320 5.602 1.00 36.83 ? 503 PHE B CE1 1 ATOM 4673 C CE2 . PHE B 1 280 ? 23.875 10.848 3.334 1.00 33.22 ? 503 PHE B CE2 1 ATOM 4674 C CZ . PHE B 1 280 ? 24.037 11.758 4.366 1.00 33.18 ? 503 PHE B CZ 1 ATOM 4675 N N . PHE B 1 281 ? 26.688 5.465 6.239 1.00 22.67 ? 504 PHE B N 1 ATOM 4676 C CA . PHE B 1 281 ? 26.778 4.093 6.721 1.00 30.73 ? 504 PHE B CA 1 ATOM 4677 C C . PHE B 1 281 ? 25.963 3.926 7.998 1.00 26.62 ? 504 PHE B C 1 ATOM 4678 O O . PHE B 1 281 ? 25.709 4.890 8.727 1.00 28.14 ? 504 PHE B O 1 ATOM 4679 C CB . PHE B 1 281 ? 28.240 3.667 6.952 1.00 27.83 ? 504 PHE B CB 1 ATOM 4680 C CG . PHE B 1 281 ? 28.865 4.264 8.190 1.00 28.22 ? 504 PHE B CG 1 ATOM 4681 C CD1 . PHE B 1 281 ? 28.764 3.622 9.418 1.00 30.02 ? 504 PHE B CD1 1 ATOM 4682 C CD2 . PHE B 1 281 ? 29.554 5.466 8.122 1.00 36.29 ? 504 PHE B CD2 1 ATOM 4683 C CE1 . PHE B 1 281 ? 29.332 4.178 10.560 1.00 26.91 ? 504 PHE B CE1 1 ATOM 4684 C CE2 . PHE B 1 281 ? 30.127 6.024 9.250 1.00 32.65 ? 504 PHE B CE2 1 ATOM 4685 C CZ . PHE B 1 281 ? 30.017 5.381 10.474 1.00 30.38 ? 504 PHE B CZ 1 ATOM 4686 N N . VAL B 1 282 ? 25.556 2.685 8.245 1.00 22.96 ? 505 VAL B N 1 ATOM 4687 C CA . VAL B 1 282 ? 24.858 2.297 9.460 1.00 20.49 ? 505 VAL B CA 1 ATOM 4688 C C . VAL B 1 282 ? 25.433 0.961 9.924 1.00 23.47 ? 505 VAL B C 1 ATOM 4689 O O . VAL B 1 282 ? 25.834 0.148 9.103 1.00 23.68 ? 505 VAL B O 1 ATOM 4690 C CB . VAL B 1 282 ? 23.339 2.128 9.185 1.00 29.00 ? 505 VAL B CB 1 ATOM 4691 C CG1 . VAL B 1 282 ? 22.683 1.290 10.267 1.00 35.80 ? 505 VAL B CG1 1 ATOM 4692 C CG2 . VAL B 1 282 ? 22.653 3.496 9.059 1.00 24.62 ? 505 VAL B CG2 1 ATOM 4693 N N . PHE B 1 283 ? 25.469 0.742 11.238 1.00 21.57 ? 506 PHE B N 1 ATOM 4694 C CA . PHE B 1 283 ? 25.849 -0.547 11.805 1.00 25.28 ? 506 PHE B CA 1 ATOM 4695 C C . PHE B 1 283 ? 24.645 -1.097 12.538 1.00 22.05 ? 506 PHE B C 1 ATOM 4696 O O . PHE B 1 283 ? 23.963 -0.358 13.250 1.00 24.03 ? 506 PHE B O 1 ATOM 4697 C CB . PHE B 1 283 ? 26.969 -0.390 12.840 1.00 25.07 ? 506 PHE B CB 1 ATOM 4698 C CG . PHE B 1 283 ? 28.372 -0.403 12.264 1.00 26.71 ? 506 PHE B CG 1 ATOM 4699 C CD1 . PHE B 1 283 ? 28.945 -1.583 11.808 1.00 28.46 ? 506 PHE B CD1 1 ATOM 4700 C CD2 . PHE B 1 283 ? 29.124 0.761 12.213 1.00 24.47 ? 506 PHE B CD2 1 ATOM 4701 C CE1 . PHE B 1 283 ? 30.241 -1.605 11.299 1.00 28.27 ? 506 PHE B CE1 1 ATOM 4702 C CE2 . PHE B 1 283 ? 30.420 0.749 11.717 1.00 24.06 ? 506 PHE B CE2 1 ATOM 4703 C CZ . PHE B 1 283 ? 30.980 -0.440 11.254 1.00 23.57 ? 506 PHE B CZ 1 ATOM 4704 N N . SER B 1 284 ? 24.404 -2.397 12.400 1.00 22.36 ? 507 SER B N 1 ATOM 4705 C CA . SER B 1 284 ? 23.363 -3.061 13.177 1.00 21.60 ? 507 SER B CA 1 ATOM 4706 C C . SER B 1 284 ? 23.925 -4.260 13.925 1.00 20.41 ? 507 SER B C 1 ATOM 4707 O O . SER B 1 284 ? 24.734 -5.016 13.385 1.00 24.38 ? 507 SER B O 1 ATOM 4708 C CB . SER B 1 284 ? 22.204 -3.490 12.275 1.00 26.21 ? 507 SER B CB 1 ATOM 4709 O OG . SER B 1 284 ? 21.205 -4.154 13.028 1.00 28.26 ? 507 SER B OG 1 ATOM 4710 N N . ARG B 1 285 ? 23.507 -4.426 15.177 1.00 20.52 ? 508 ARG B N 1 ATOM 4711 C CA . ARG B 1 285 ? 23.965 -5.543 15.994 1.00 18.82 ? 508 ARG B CA 1 ATOM 4712 C C . ARG B 1 285 ? 22.760 -6.366 16.429 1.00 20.97 ? 508 ARG B C 1 ATOM 4713 O O . ARG B 1 285 ? 21.776 -5.806 16.918 1.00 22.78 ? 508 ARG B O 1 ATOM 4714 C CB . ARG B 1 285 ? 24.723 -5.023 17.228 1.00 26.00 ? 508 ARG B CB 1 ATOM 4715 C CG . ARG B 1 285 ? 25.290 -6.113 18.125 1.00 26.99 ? 508 ARG B CG 1 ATOM 4716 C CD . ARG B 1 285 ? 26.036 -5.518 19.317 1.00 29.01 ? 508 ARG B CD 1 ATOM 4717 N NE . ARG B 1 285 ? 26.577 -6.555 20.189 1.00 29.24 ? 508 ARG B NE 1 ATOM 4718 C CZ . ARG B 1 285 ? 25.895 -7.116 21.183 1.00 32.66 ? 508 ARG B CZ 1 ATOM 4719 N NH1 . ARG B 1 285 ? 24.649 -6.735 21.419 1.00 28.81 ? 508 ARG B NH1 1 ATOM 4720 N NH2 . ARG B 1 285 ? 26.454 -8.054 21.934 1.00 33.45 ? 508 ARG B NH2 1 ATOM 4721 N N . LEU B 1 286 ? 22.830 -7.684 16.247 1.00 20.36 ? 509 LEU B N 1 ATOM 4722 C CA . LEU B 1 286 ? 21.719 -8.572 16.594 1.00 21.86 ? 509 LEU B CA 1 ATOM 4723 C C . LEU B 1 286 ? 22.224 -9.799 17.348 1.00 20.49 ? 509 LEU B C 1 ATOM 4724 O O . LEU B 1 286 ? 22.992 -10.593 16.804 1.00 22.76 ? 509 LEU B O 1 ATOM 4725 C CB . LEU B 1 286 ? 20.968 -9.039 15.335 1.00 19.54 ? 509 LEU B CB 1 ATOM 4726 C CG . LEU B 1 286 ? 19.911 -10.123 15.608 1.00 24.52 ? 509 LEU B CG 1 ATOM 4727 C CD1 . LEU B 1 286 ? 18.722 -9.552 16.383 1.00 26.88 ? 509 LEU B CD1 1 ATOM 4728 C CD2 . LEU B 1 286 ? 19.421 -10.797 14.322 1.00 19.24 ? 509 LEU B CD2 1 ATOM 4729 N N . GLU B 1 287 ? 21.802 -9.958 18.601 1.00 24.13 ? 510 GLU B N 1 ATOM 4730 C CA . GLU B 1 287 ? 22.149 -11.170 19.347 1.00 25.83 ? 510 GLU B CA 1 ATOM 4731 C C . GLU B 1 287 ? 21.095 -12.226 19.077 1.00 29.59 ? 510 GLU B C 1 ATOM 4732 O O . GLU B 1 287 ? 19.901 -11.955 19.223 1.00 26.95 ? 510 GLU B O 1 ATOM 4733 C CB . GLU B 1 287 ? 22.207 -10.892 20.854 1.00 26.54 ? 510 GLU B CB 1 ATOM 4734 C CG . GLU B 1 287 ? 23.070 -9.704 21.251 1.00 30.53 ? 510 GLU B CG 1 ATOM 4735 C CD . GLU B 1 287 ? 23.258 -9.603 22.760 1.00 48.59 ? 510 GLU B CD 1 ATOM 4736 O OE1 . GLU B 1 287 ? 23.121 -10.642 23.445 1.00 48.29 ? 510 GLU B OE1 1 ATOM 4737 O OE2 . GLU B 1 287 ? 23.541 -8.487 23.251 1.00 40.69 ? 510 GLU B OE2 1 ATOM 4738 N N . VAL B 1 288 ? 21.525 -13.421 18.678 1.00 25.12 ? 511 VAL B N 1 ATOM 4739 C CA . VAL B 1 288 ? 20.587 -14.512 18.388 1.00 25.72 ? 511 VAL B CA 1 ATOM 4740 C C . VAL B 1 288 ? 20.816 -15.683 19.334 1.00 31.02 ? 511 VAL B C 1 ATOM 4741 O O . VAL B 1 288 ? 21.862 -15.767 19.978 1.00 31.36 ? 511 VAL B O 1 ATOM 4742 C CB . VAL B 1 288 ? 20.693 -15.011 16.929 1.00 29.79 ? 511 VAL B CB 1 ATOM 4743 C CG1 . VAL B 1 288 ? 20.524 -13.845 15.947 1.00 25.97 ? 511 VAL B CG1 1 ATOM 4744 C CG2 . VAL B 1 288 ? 22.027 -15.720 16.693 1.00 29.47 ? 511 VAL B CG2 1 ATOM 4745 N N . THR B 1 289 ? 19.837 -16.580 19.405 1.00 27.51 ? 512 THR B N 1 ATOM 4746 C CA . THR B 1 289 ? 19.870 -17.696 20.348 1.00 29.90 ? 512 THR B CA 1 ATOM 4747 C C . THR B 1 289 ? 20.027 -19.033 19.647 1.00 33.02 ? 512 THR B C 1 ATOM 4748 O O . THR B 1 289 ? 19.705 -19.173 18.476 1.00 27.12 ? 512 THR B O 1 ATOM 4749 C CB . THR B 1 289 ? 18.574 -17.777 21.185 1.00 34.21 ? 512 THR B CB 1 ATOM 4750 O OG1 . THR B 1 289 ? 17.459 -18.056 20.325 1.00 32.80 ? 512 THR B OG1 1 ATOM 4751 C CG2 . THR B 1 289 ? 18.331 -16.483 21.928 1.00 37.79 ? 512 THR B CG2 1 ATOM 4752 N N . ARG B 1 290 ? 20.506 -20.027 20.387 1.00 32.99 ? 513 ARG B N 1 ATOM 4753 C CA . ARG B 1 290 ? 20.617 -21.381 19.862 1.00 29.49 ? 513 ARG B CA 1 ATOM 4754 C C . ARG B 1 290 ? 19.294 -21.898 19.303 1.00 33.44 ? 513 ARG B C 1 ATOM 4755 O O . ARG B 1 290 ? 19.259 -22.525 18.241 1.00 29.47 ? 513 ARG B O 1 ATOM 4756 C CB . ARG B 1 290 ? 21.145 -22.333 20.946 1.00 28.45 ? 513 ARG B CB 1 ATOM 4757 C CG . ARG B 1 290 ? 21.144 -23.791 20.515 1.00 31.05 ? 513 ARG B CG 1 ATOM 4758 C CD . ARG B 1 290 ? 21.722 -24.702 21.591 1.00 34.88 ? 513 ARG B CD 1 ATOM 4759 N NE . ARG B 1 290 ? 23.129 -24.403 21.833 1.00 46.33 ? 513 ARG B NE 1 ATOM 4760 C CZ . ARG B 1 290 ? 24.132 -24.853 21.084 1.00 53.09 ? 513 ARG B CZ 1 ATOM 4761 N NH1 . ARG B 1 290 ? 23.886 -25.634 20.038 1.00 50.35 ? 513 ARG B NH1 1 ATOM 4762 N NH2 . ARG B 1 290 ? 25.384 -24.518 21.380 1.00 49.86 ? 513 ARG B NH2 1 ATOM 4763 N N . ALA B 1 291 ? 18.207 -21.639 20.017 1.00 31.41 ? 514 ALA B N 1 ATOM 4764 C CA . ALA B 1 291 ? 16.895 -22.089 19.576 1.00 32.32 ? 514 ALA B CA 1 ATOM 4765 C C . ALA B 1 291 ? 16.591 -21.560 18.175 1.00 29.61 ? 514 ALA B C 1 ATOM 4766 O O . ALA B 1 291 ? 15.991 -22.250 17.345 1.00 32.05 ? 514 ALA B O 1 ATOM 4767 C CB . ALA B 1 291 ? 15.831 -21.639 20.548 1.00 40.05 ? 514 ALA B CB 1 ATOM 4768 N N . GLU B 1 292 ? 17.015 -20.334 17.917 1.00 27.91 ? 515 GLU B N 1 ATOM 4769 C CA . GLU B 1 292 ? 16.776 -19.717 16.616 1.00 31.43 ? 515 GLU B CA 1 ATOM 4770 C C . GLU B 1 292 ? 17.583 -20.376 15.502 1.00 27.99 ? 515 GLU B C 1 ATOM 4771 O O . GLU B 1 292 ? 17.027 -20.748 14.467 1.00 30.40 ? 515 GLU B O 1 ATOM 4772 C CB . GLU B 1 292 ? 17.044 -18.215 16.685 1.00 27.66 ? 515 GLU B CB 1 ATOM 4773 C CG . GLU B 1 292 ? 15.931 -17.468 17.401 1.00 35.39 ? 515 GLU B CG 1 ATOM 4774 C CD . GLU B 1 292 ? 16.237 -16.001 17.626 1.00 38.84 ? 515 GLU B CD 1 ATOM 4775 O OE1 . GLU B 1 292 ? 15.280 -15.204 17.681 1.00 41.88 ? 515 GLU B OE1 1 ATOM 4776 O OE2 . GLU B 1 292 ? 17.426 -15.641 17.754 1.00 34.28 ? 515 GLU B OE2 1 ATOM 4777 N N . TRP B 1 293 ? 18.888 -20.537 15.703 1.00 28.75 ? 516 TRP B N 1 ATOM 4778 C CA . TRP B 1 293 ? 19.701 -21.131 14.644 1.00 28.20 ? 516 TRP B CA 1 ATOM 4779 C C . TRP B 1 293 ? 19.452 -22.631 14.445 1.00 29.11 ? 516 TRP B C 1 ATOM 4780 O O . TRP B 1 293 ? 19.674 -23.160 13.353 1.00 31.40 ? 516 TRP B O 1 ATOM 4781 C CB . TRP B 1 293 ? 21.198 -20.777 14.770 1.00 32.51 ? 516 TRP B CB 1 ATOM 4782 C CG . TRP B 1 293 ? 22.015 -21.532 15.801 1.00 31.87 ? 516 TRP B CG 1 ATOM 4783 C CD1 . TRP B 1 293 ? 22.356 -22.857 15.775 1.00 37.83 ? 516 TRP B CD1 1 ATOM 4784 C CD2 . TRP B 1 293 ? 22.658 -20.978 16.961 1.00 30.01 ? 516 TRP B CD2 1 ATOM 4785 N NE1 . TRP B 1 293 ? 23.143 -23.166 16.865 1.00 33.79 ? 516 TRP B NE1 1 ATOM 4786 C CE2 . TRP B 1 293 ? 23.338 -22.034 17.611 1.00 31.63 ? 516 TRP B CE2 1 ATOM 4787 C CE3 . TRP B 1 293 ? 22.703 -19.699 17.527 1.00 33.40 ? 516 TRP B CE3 1 ATOM 4788 C CZ2 . TRP B 1 293 ? 24.059 -21.847 18.795 1.00 36.76 ? 516 TRP B CZ2 1 ATOM 4789 C CZ3 . TRP B 1 293 ? 23.421 -19.515 18.709 1.00 31.00 ? 516 TRP B CZ3 1 ATOM 4790 C CH2 . TRP B 1 293 ? 24.091 -20.584 19.324 1.00 34.14 ? 516 TRP B CH2 1 ATOM 4791 N N . GLU B 1 294 ? 18.976 -23.310 15.486 1.00 32.66 ? 517 GLU B N 1 ATOM 4792 C CA . GLU B 1 294 ? 18.610 -24.719 15.350 1.00 33.47 ? 517 GLU B CA 1 ATOM 4793 C C . GLU B 1 294 ? 17.295 -24.859 14.579 1.00 34.55 ? 517 GLU B C 1 ATOM 4794 O O . GLU B 1 294 ? 17.071 -25.838 13.871 1.00 39.08 ? 517 GLU B O 1 ATOM 4795 C CB . GLU B 1 294 ? 18.567 -25.413 16.719 1.00 36.38 ? 517 GLU B CB 1 ATOM 4796 C CG . GLU B 1 294 ? 19.948 -25.460 17.376 1.00 42.14 ? 517 GLU B CG 1 ATOM 4797 C CD . GLU B 1 294 ? 20.046 -26.372 18.597 1.00 48.06 ? 517 GLU B CD 1 ATOM 4798 O OE1 . GLU B 1 294 ? 19.007 -26.705 19.203 1.00 45.35 ? 517 GLU B OE1 1 ATOM 4799 O OE2 . GLU B 1 294 ? 21.187 -26.737 18.955 1.00 41.10 ? 517 GLU B OE2 1 ATOM 4800 N N . GLN B 1 295 ? 16.442 -23.853 14.705 1.00 35.32 ? 518 GLN B N 1 ATOM 4801 C CA . GLN B 1 295 ? 15.221 -23.764 13.910 1.00 34.77 ? 518 GLN B CA 1 ATOM 4802 C C . GLN B 1 295 ? 15.552 -23.531 12.435 1.00 39.11 ? 518 GLN B C 1 ATOM 4803 O O . GLN B 1 295 ? 15.030 -24.211 11.558 1.00 36.19 ? 518 GLN B O 1 ATOM 4804 C CB . GLN B 1 295 ? 14.357 -22.626 14.443 1.00 43.01 ? 518 GLN B CB 1 ATOM 4805 C CG . GLN B 1 295 ? 12.953 -22.580 13.892 1.00 57.45 ? 518 GLN B CG 1 ATOM 4806 C CD . GLN B 1 295 ? 12.128 -21.484 14.541 1.00 75.31 ? 518 GLN B CD 1 ATOM 4807 O OE1 . GLN B 1 295 ? 12.670 -20.495 15.041 1.00 77.91 ? 518 GLN B OE1 1 ATOM 4808 N NE2 . GLN B 1 295 ? 10.811 -21.656 14.540 1.00 80.84 ? 518 GLN B NE2 1 ATOM 4809 N N . LYS B 1 296 ? 16.424 -22.561 12.170 1.00 30.66 ? 519 LYS B N 1 ATOM 4810 C CA . LYS B 1 296 ? 16.888 -22.270 10.816 1.00 28.32 ? 519 LYS B CA 1 ATOM 4811 C C . LYS B 1 296 ? 18.163 -21.440 10.928 1.00 25.35 ? 519 LYS B C 1 ATOM 4812 O O . LYS B 1 296 ? 18.131 -20.331 11.459 1.00 26.57 ? 519 LYS B O 1 ATOM 4813 C CB . LYS B 1 296 ? 15.827 -21.497 10.029 1.00 30.05 ? 519 LYS B CB 1 ATOM 4814 C CG . LYS B 1 296 ? 16.245 -21.068 8.624 1.00 41.13 ? 519 LYS B CG 1 ATOM 4815 C CD . LYS B 1 296 ? 15.998 -22.168 7.610 1.00 51.26 ? 519 LYS B CD 1 ATOM 4816 C CE . LYS B 1 296 ? 16.407 -21.750 6.200 1.00 53.78 ? 519 LYS B CE 1 ATOM 4817 N NZ . LYS B 1 296 ? 15.450 -20.807 5.574 1.00 52.82 ? 519 LYS B NZ 1 ATOM 4818 N N . ASP B 1 297 ? 19.283 -21.982 10.451 1.00 29.34 ? 520 ASP B N 1 ATOM 4819 C CA . ASP B 1 297 ? 20.563 -21.291 10.589 1.00 27.46 ? 520 ASP B CA 1 ATOM 4820 C C . ASP B 1 297 ? 20.774 -20.336 9.437 1.00 28.01 ? 520 ASP B C 1 ATOM 4821 O O . ASP B 1 297 ? 21.631 -20.556 8.584 1.00 32.03 ? 520 ASP B O 1 ATOM 4822 C CB . ASP B 1 297 ? 21.735 -22.280 10.672 1.00 32.93 ? 520 ASP B CB 1 ATOM 4823 C CG . ASP B 1 297 ? 23.053 -21.593 11.006 1.00 36.64 ? 520 ASP B CG 1 ATOM 4824 O OD1 . ASP B 1 297 ? 23.012 -20.443 11.493 1.00 32.69 ? 520 ASP B OD1 1 ATOM 4825 O OD2 . ASP B 1 297 ? 24.129 -22.196 10.775 1.00 38.23 ? 520 ASP B OD2 1 ATOM 4826 N N . GLU B 1 298 ? 19.971 -19.277 9.414 1.00 24.61 ? 521 GLU B N 1 ATOM 4827 C CA . GLU B 1 298 ? 20.055 -18.259 8.379 1.00 26.01 ? 521 GLU B CA 1 ATOM 4828 C C . GLU B 1 298 ? 19.449 -16.955 8.882 1.00 27.69 ? 521 GLU B C 1 ATOM 4829 O O . GLU B 1 298 ? 18.253 -16.880 9.152 1.00 25.00 ? 521 GLU B O 1 ATOM 4830 C CB . GLU B 1 298 ? 19.328 -18.708 7.111 1.00 28.80 ? 521 GLU B CB 1 ATOM 4831 C CG . GLU B 1 298 ? 19.278 -17.635 6.048 1.00 26.02 ? 521 GLU B CG 1 ATOM 4832 C CD . GLU B 1 298 ? 18.315 -17.978 4.936 1.00 42.50 ? 521 GLU B CD 1 ATOM 4833 O OE1 . GLU B 1 298 ? 17.090 -18.016 5.194 1.00 30.81 ? 521 GLU B OE1 1 ATOM 4834 O OE2 . GLU B 1 298 ? 18.788 -18.213 3.807 1.00 40.07 ? 521 GLU B OE2 1 ATOM 4835 N N . PHE B 1 299 ? 20.286 -15.935 9.020 1.00 22.24 ? 522 PHE B N 1 ATOM 4836 C CA . PHE B 1 299 ? 19.836 -14.643 9.518 1.00 19.14 ? 522 PHE B CA 1 ATOM 4837 C C . PHE B 1 299 ? 20.164 -13.604 8.473 1.00 25.52 ? 522 PHE B C 1 ATOM 4838 O O . PHE B 1 299 ? 21.309 -13.487 8.041 1.00 22.85 ? 522 PHE B O 1 ATOM 4839 C CB . PHE B 1 299 ? 20.526 -14.335 10.843 1.00 21.60 ? 522 PHE B CB 1 ATOM 4840 C CG . PHE B 1 299 ? 20.248 -15.364 11.902 1.00 24.74 ? 522 PHE B CG 1 ATOM 4841 C CD1 . PHE B 1 299 ? 21.018 -16.516 11.984 1.00 22.98 ? 522 PHE B CD1 1 ATOM 4842 C CD2 . PHE B 1 299 ? 19.199 -15.193 12.793 1.00 29.05 ? 522 PHE B CD2 1 ATOM 4843 C CE1 . PHE B 1 299 ? 20.745 -17.484 12.945 1.00 29.04 ? 522 PHE B CE1 1 ATOM 4844 C CE2 . PHE B 1 299 ? 18.922 -16.153 13.761 1.00 24.49 ? 522 PHE B CE2 1 ATOM 4845 C CZ . PHE B 1 299 ? 19.694 -17.295 13.837 1.00 28.95 ? 522 PHE B CZ 1 ATOM 4846 N N . ILE B 1 300 ? 19.149 -12.868 8.050 1.00 21.92 ? 523 ILE B N 1 ATOM 4847 C CA . ILE B 1 300 ? 19.302 -11.974 6.916 1.00 19.40 ? 523 ILE B CA 1 ATOM 4848 C C . ILE B 1 300 ? 19.246 -10.512 7.324 1.00 22.24 ? 523 ILE B C 1 ATOM 4849 O O . ILE B 1 300 ? 18.285 -10.058 7.948 1.00 23.11 ? 523 ILE B O 1 ATOM 4850 C CB . ILE B 1 300 ? 18.212 -12.248 5.860 1.00 24.20 ? 523 ILE B CB 1 ATOM 4851 C CG1 . ILE B 1 300 ? 18.310 -13.695 5.375 1.00 26.15 ? 523 ILE B CG1 1 ATOM 4852 C CG2 . ILE B 1 300 ? 18.316 -11.238 4.714 1.00 23.74 ? 523 ILE B CG2 1 ATOM 4853 C CD1 . ILE B 1 300 ? 17.044 -14.208 4.684 1.00 29.99 ? 523 ILE B CD1 1 ATOM 4854 N N . CYS B 1 301 ? 20.287 -9.770 6.963 1.00 20.40 ? 524 CYS B N 1 ATOM 4855 C CA . CYS B 1 301 ? 20.284 -8.331 7.146 1.00 18.30 ? 524 CYS B CA 1 ATOM 4856 C C . CYS B 1 301 ? 19.804 -7.712 5.843 1.00 22.93 ? 524 CYS B C 1 ATOM 4857 O O . CYS B 1 301 ? 20.438 -7.886 4.799 1.00 21.45 ? 524 CYS B O 1 ATOM 4858 C CB . CYS B 1 301 ? 21.695 -7.830 7.474 1.00 18.92 ? 524 CYS B CB 1 ATOM 4859 S SG . CYS B 1 301 ? 21.873 -6.049 7.603 1.00 26.37 ? 524 CYS B SG 1 ATOM 4860 N N . ARG B 1 302 ? 18.696 -6.981 5.896 1.00 19.36 ? 525 ARG B N 1 ATOM 4861 C CA . ARG B 1 302 ? 18.148 -6.406 4.673 1.00 19.04 ? 525 ARG B CA 1 ATOM 4862 C C . ARG B 1 302 ? 18.026 -4.905 4.796 1.00 22.04 ? 525 ARG B C 1 ATOM 4863 O O . ARG B 1 302 ? 17.569 -4.390 5.818 1.00 22.87 ? 525 ARG B O 1 ATOM 4864 C CB . ARG B 1 302 ? 16.781 -7.020 4.339 1.00 26.45 ? 525 ARG B CB 1 ATOM 4865 C CG . ARG B 1 302 ? 16.136 -6.457 3.072 1.00 23.16 ? 525 ARG B CG 1 ATOM 4866 C CD . ARG B 1 302 ? 14.793 -7.123 2.820 1.00 25.32 ? 525 ARG B CD 1 ATOM 4867 N NE . ARG B 1 302 ? 13.754 -6.578 3.695 1.00 25.25 ? 525 ARG B NE 1 ATOM 4868 C CZ . ARG B 1 302 ? 12.490 -6.984 3.681 1.00 30.15 ? 525 ARG B CZ 1 ATOM 4869 N NH1 . ARG B 1 302 ? 12.116 -7.950 2.846 1.00 31.08 ? 525 ARG B NH1 1 ATOM 4870 N NH2 . ARG B 1 302 ? 11.602 -6.427 4.493 1.00 31.43 ? 525 ARG B NH2 1 ATOM 4871 N N . ALA B 1 303 ? 18.442 -4.209 3.743 1.00 21.50 ? 526 ALA B N 1 ATOM 4872 C CA . ALA B 1 303 ? 18.315 -2.767 3.672 1.00 24.18 ? 526 ALA B CA 1 ATOM 4873 C C . ALA B 1 303 ? 17.305 -2.410 2.592 1.00 30.04 ? 526 ALA B C 1 ATOM 4874 O O . ALA B 1 303 ? 17.340 -2.964 1.488 1.00 23.50 ? 526 ALA B O 1 ATOM 4875 C CB . ALA B 1 303 ? 19.657 -2.130 3.365 1.00 22.58 ? 526 ALA B CB 1 ATOM 4876 N N . VAL B 1 304 ? 16.410 -1.485 2.922 1.00 21.87 ? 527 VAL B N 1 ATOM 4877 C CA . VAL B 1 304 ? 15.476 -0.912 1.948 1.00 25.82 ? 527 VAL B CA 1 ATOM 4878 C C . VAL B 1 304 ? 15.890 0.527 1.671 1.00 20.65 ? 527 VAL B C 1 ATOM 4879 O O . VAL B 1 304 ? 16.015 1.325 2.591 1.00 22.99 ? 527 VAL B O 1 ATOM 4880 C CB . VAL B 1 304 ? 14.029 -0.927 2.483 1.00 25.12 ? 527 VAL B CB 1 ATOM 4881 C CG1 . VAL B 1 304 ? 13.056 -0.465 1.402 1.00 24.33 ? 527 VAL B CG1 1 ATOM 4882 C CG2 . VAL B 1 304 ? 13.670 -2.315 2.981 1.00 30.61 ? 527 VAL B CG2 1 ATOM 4883 N N . HIS B 1 305 ? 16.119 0.851 0.399 1.00 22.47 ? 528 HIS B N 1 ATOM 4884 C CA . HIS B 1 305 ? 16.658 2.145 0.018 1.00 22.38 ? 528 HIS B CA 1 ATOM 4885 C C . HIS B 1 305 ? 16.266 2.436 -1.424 1.00 23.29 ? 528 HIS B C 1 ATOM 4886 O O . HIS B 1 305 ? 16.276 1.543 -2.267 1.00 27.64 ? 528 HIS B O 1 ATOM 4887 C CB . HIS B 1 305 ? 18.190 2.133 0.119 1.00 22.43 ? 528 HIS B CB 1 ATOM 4888 C CG . HIS B 1 305 ? 18.813 3.474 -0.103 1.00 25.10 ? 528 HIS B CG 1 ATOM 4889 N ND1 . HIS B 1 305 ? 19.048 3.993 -1.362 1.00 24.36 ? 528 HIS B ND1 1 ATOM 4890 C CD2 . HIS B 1 305 ? 19.236 4.411 0.776 1.00 20.82 ? 528 HIS B CD2 1 ATOM 4891 C CE1 . HIS B 1 305 ? 19.584 5.193 -1.245 1.00 23.01 ? 528 HIS B CE1 1 ATOM 4892 N NE2 . HIS B 1 305 ? 19.713 5.470 0.041 1.00 22.98 ? 528 HIS B NE2 1 ATOM 4893 N N . GLU B 1 306 ? 15.919 3.684 -1.705 1.00 23.34 ? 529 GLU B N 1 ATOM 4894 C CA . GLU B 1 306 ? 15.390 4.029 -3.018 1.00 22.68 ? 529 GLU B CA 1 ATOM 4895 C C . GLU B 1 306 ? 16.343 3.695 -4.165 1.00 29.54 ? 529 GLU B C 1 ATOM 4896 O O . GLU B 1 306 ? 15.902 3.473 -5.291 1.00 28.34 ? 529 GLU B O 1 ATOM 4897 C CB . GLU B 1 306 ? 15.001 5.503 -3.076 1.00 32.18 ? 529 GLU B CB 1 ATOM 4898 C CG . GLU B 1 306 ? 16.166 6.455 -3.137 1.00 39.12 ? 529 GLU B CG 1 ATOM 4899 C CD . GLU B 1 306 ? 15.726 7.868 -3.497 1.00 43.15 ? 529 GLU B CD 1 ATOM 4900 O OE1 . GLU B 1 306 ? 15.313 8.609 -2.581 1.00 42.05 ? 529 GLU B OE1 1 ATOM 4901 O OE2 . GLU B 1 306 ? 15.800 8.234 -4.693 1.00 46.95 ? 529 GLU B OE2 1 ATOM 4902 N N . ALA B 1 307 ? 17.640 3.657 -3.883 1.00 22.29 ? 530 ALA B N 1 ATOM 4903 C CA . ALA B 1 307 ? 18.630 3.469 -4.945 1.00 30.42 ? 530 ALA B CA 1 ATOM 4904 C C . ALA B 1 307 ? 19.071 2.013 -5.121 1.00 36.05 ? 530 ALA B C 1 ATOM 4905 O O . ALA B 1 307 ? 19.857 1.703 -6.017 1.00 35.09 ? 530 ALA B O 1 ATOM 4906 C CB . ALA B 1 307 ? 19.841 4.369 -4.711 1.00 29.34 ? 530 ALA B CB 1 ATOM 4907 N N . ALA B 1 308 ? 18.586 1.119 -4.267 1.00 28.99 ? 531 ALA B N 1 ATOM 4908 C CA . ALA B 1 308 ? 18.897 -0.297 -4.432 1.00 28.59 ? 531 ALA B CA 1 ATOM 4909 C C . ALA B 1 308 ? 18.079 -0.833 -5.600 1.00 30.56 ? 531 ALA B C 1 ATOM 4910 O O . ALA B 1 308 ? 16.907 -0.503 -5.737 1.00 34.20 ? 531 ALA B O 1 ATOM 4911 C CB . ALA B 1 308 ? 18.594 -1.081 -3.144 1.00 28.67 ? 531 ALA B CB 1 ATOM 4912 N N . SER B 1 309 ? 18.699 -1.628 -6.465 1.00 36.49 ? 532 SER B N 1 ATOM 4913 C CA . SER B 1 309 ? 17.975 -2.221 -7.594 1.00 39.94 ? 532 SER B CA 1 ATOM 4914 C C . SER B 1 309 ? 18.112 -3.739 -7.565 1.00 41.67 ? 532 SER B C 1 ATOM 4915 O O . SER B 1 309 ? 19.134 -4.253 -7.127 1.00 44.38 ? 532 SER B O 1 ATOM 4916 C CB . SER B 1 309 ? 18.478 -1.658 -8.924 1.00 43.58 ? 532 SER B CB 1 ATOM 4917 O OG . SER B 1 309 ? 19.890 -1.673 -8.978 1.00 46.77 ? 532 SER B OG 1 ATOM 4918 N N . PRO B 1 310 ? 17.107 -4.467 -8.077 1.00 51.05 ? 533 PRO B N 1 ATOM 4919 C CA . PRO B 1 310 ? 15.971 -4.032 -8.900 1.00 55.20 ? 533 PRO B CA 1 ATOM 4920 C C . PRO B 1 310 ? 14.807 -3.426 -8.130 1.00 51.02 ? 533 PRO B C 1 ATOM 4921 O O . PRO B 1 310 ? 14.034 -2.657 -8.709 1.00 52.89 ? 533 PRO B O 1 ATOM 4922 C CB . PRO B 1 310 ? 15.480 -5.346 -9.538 1.00 59.82 ? 533 PRO B CB 1 ATOM 4923 C CG . PRO B 1 310 ? 16.423 -6.431 -9.059 1.00 60.34 ? 533 PRO B CG 1 ATOM 4924 C CD . PRO B 1 310 ? 17.061 -5.913 -7.823 1.00 56.30 ? 533 PRO B CD 1 ATOM 4925 N N . SER B 1 311 ? 14.670 -3.782 -6.857 1.00 36.04 ? 534 SER B N 1 ATOM 4926 C CA . SER B 1 311 ? 13.422 -3.540 -6.140 1.00 37.81 ? 534 SER B CA 1 ATOM 4927 C C . SER B 1 311 ? 13.607 -2.849 -4.796 1.00 27.90 ? 534 SER B C 1 ATOM 4928 O O . SER B 1 311 ? 12.881 -3.137 -3.836 1.00 27.43 ? 534 SER B O 1 ATOM 4929 C CB . SER B 1 311 ? 12.666 -4.855 -5.943 1.00 50.41 ? 534 SER B CB 1 ATOM 4930 O OG . SER B 1 311 ? 12.299 -5.413 -7.193 1.00 62.13 ? 534 SER B OG 1 ATOM 4931 N N . GLN B 1 312 ? 14.568 -1.932 -4.757 1.00 29.86 ? 535 GLN B N 1 ATOM 4932 C CA . GLN B 1 312 ? 14.789 -1.057 -3.615 1.00 25.99 ? 535 GLN B CA 1 ATOM 4933 C C . GLN B 1 312 ? 15.222 -1.835 -2.386 1.00 25.92 ? 535 GLN B C 1 ATOM 4934 O O . GLN B 1 312 ? 15.102 -1.339 -1.277 1.00 26.89 ? 535 GLN B O 1 ATOM 4935 C CB . GLN B 1 312 ? 13.534 -0.218 -3.309 1.00 23.35 ? 535 GLN B CB 1 ATOM 4936 C CG . GLN B 1 312 ? 13.221 0.841 -4.361 1.00 23.68 ? 535 GLN B CG 1 ATOM 4937 C CD . GLN B 1 312 ? 12.533 0.262 -5.578 1.00 37.05 ? 535 GLN B CD 1 ATOM 4938 O OE1 . GLN B 1 312 ? 12.991 0.430 -6.704 1.00 54.36 ? 535 GLN B OE1 1 ATOM 4939 N NE2 . GLN B 1 312 ? 11.433 -0.439 -5.353 1.00 28.73 ? 535 GLN B NE2 1 ATOM 4940 N N . THR B 1 313 ? 15.778 -3.027 -2.604 1.00 27.68 ? 536 THR B N 1 ATOM 4941 C CA . THR B 1 313 ? 16.260 -3.882 -1.521 1.00 25.10 ? 536 THR B CA 1 ATOM 4942 C C . THR B 1 313 ? 17.632 -4.490 -1.813 1.00 31.54 ? 536 THR B C 1 ATOM 4943 O O . THR B 1 313 ? 17.941 -4.828 -2.955 1.00 27.21 ? 536 THR B O 1 ATOM 4944 C CB . THR B 1 313 ? 15.256 -5.034 -1.251 1.00 33.57 ? 536 THR B CB 1 ATOM 4945 O OG1 . THR B 1 313 ? 14.102 -4.501 -0.585 1.00 41.94 ? 536 THR B OG1 1 ATOM 4946 C CG2 . THR B 1 313 ? 15.874 -6.107 -0.388 1.00 51.78 ? 536 THR B CG2 1 ATOM 4947 N N . VAL B 1 314 ? 18.455 -4.599 -0.771 1.00 26.63 ? 537 VAL B N 1 ATOM 4948 C CA . VAL B 1 314 ? 19.701 -5.360 -0.820 1.00 25.42 ? 537 VAL B CA 1 ATOM 4949 C C . VAL B 1 314 ? 19.810 -6.112 0.498 1.00 27.60 ? 537 VAL B C 1 ATOM 4950 O O . VAL B 1 314 ? 19.485 -5.569 1.559 1.00 25.09 ? 537 VAL B O 1 ATOM 4951 C CB . VAL B 1 314 ? 20.945 -4.460 -1.019 1.00 31.59 ? 537 VAL B CB 1 ATOM 4952 C CG1 . VAL B 1 314 ? 20.911 -3.278 -0.066 1.00 35.38 ? 537 VAL B CG1 1 ATOM 4953 C CG2 . VAL B 1 314 ? 22.232 -5.267 -0.831 1.00 29.17 ? 537 VAL B CG2 1 ATOM 4954 N N . GLN B 1 315 ? 20.248 -7.364 0.438 1.00 25.30 ? 538 GLN B N 1 ATOM 4955 C CA . GLN B 1 315 ? 20.333 -8.170 1.654 1.00 26.77 ? 538 GLN B CA 1 ATOM 4956 C C . GLN B 1 315 ? 21.480 -9.159 1.599 1.00 30.61 ? 538 GLN B C 1 ATOM 4957 O O . GLN B 1 315 ? 21.953 -9.523 0.525 1.00 29.46 ? 538 GLN B O 1 ATOM 4958 C CB . GLN B 1 315 ? 19.018 -8.915 1.903 1.00 24.16 ? 538 GLN B CB 1 ATOM 4959 C CG . GLN B 1 315 ? 18.716 -9.996 0.884 1.00 28.67 ? 538 GLN B CG 1 ATOM 4960 C CD . GLN B 1 315 ? 17.335 -10.599 1.051 1.00 32.74 ? 538 GLN B CD 1 ATOM 4961 O OE1 . GLN B 1 315 ? 17.190 -11.799 1.303 1.00 33.26 ? 538 GLN B OE1 1 ATOM 4962 N NE2 . GLN B 1 315 ? 16.311 -9.770 0.912 1.00 27.25 ? 538 GLN B NE2 1 ATOM 4963 N N . ARG B 1 316 ? 21.928 -9.578 2.774 1.00 22.07 ? 539 ARG B N 1 ATOM 4964 C CA . ARG B 1 316 ? 22.944 -10.618 2.893 1.00 19.60 ? 539 ARG B CA 1 ATOM 4965 C C . ARG B 1 316 ? 22.594 -11.487 4.096 1.00 26.62 ? 539 ARG B C 1 ATOM 4966 O O . ARG B 1 316 ? 22.134 -10.988 5.136 1.00 21.63 ? 539 ARG B O 1 ATOM 4967 C CB . ARG B 1 316 ? 24.329 -10.008 3.083 1.00 26.77 ? 539 ARG B CB 1 ATOM 4968 C CG . ARG B 1 316 ? 24.875 -9.314 1.851 1.00 30.44 ? 539 ARG B CG 1 ATOM 4969 C CD . ARG B 1 316 ? 25.162 -10.326 0.747 1.00 34.67 ? 539 ARG B CD 1 ATOM 4970 N NE . ARG B 1 316 ? 25.828 -9.733 -0.412 1.00 40.30 ? 539 ARG B NE 1 ATOM 4971 C CZ . ARG B 1 316 ? 25.202 -9.158 -1.437 1.00 44.41 ? 539 ARG B CZ 1 ATOM 4972 N NH1 . ARG B 1 316 ? 23.878 -9.071 -1.457 1.00 36.67 ? 539 ARG B NH1 1 ATOM 4973 N NH2 . ARG B 1 316 ? 25.906 -8.662 -2.449 1.00 43.21 ? 539 ARG B NH2 1 ATOM 4974 N N . ALA B 1 317 ? 22.815 -12.787 3.941 1.00 22.20 ? 540 ALA B N 1 ATOM 4975 C CA . ALA B 1 317 ? 22.529 -13.752 4.989 1.00 23.05 ? 540 ALA B CA 1 ATOM 4976 C C . ALA B 1 317 ? 23.803 -14.197 5.691 1.00 27.82 ? 540 ALA B C 1 ATOM 4977 O O . ALA B 1 317 ? 24.885 -14.215 5.101 1.00 23.36 ? 540 ALA B O 1 ATOM 4978 C CB . ALA B 1 317 ? 21.794 -14.968 4.414 1.00 24.68 ? 540 ALA B CB 1 ATOM 4979 N N . VAL B 1 318 ? 23.669 -14.571 6.955 1.00 20.33 ? 541 VAL B N 1 ATOM 4980 C CA . VAL B 1 318 ? 24.794 -15.158 7.671 1.00 25.07 ? 541 VAL B CA 1 ATOM 4981 C C . VAL B 1 318 ? 24.316 -16.365 8.487 1.00 30.44 ? 541 VAL B C 1 ATOM 4982 O O . VAL B 1 318 ? 23.171 -16.399 8.956 1.00 21.71 ? 541 VAL B O 1 ATOM 4983 C CB . VAL B 1 318 ? 25.534 -14.102 8.521 1.00 23.49 ? 541 VAL B CB 1 ATOM 4984 C CG1 . VAL B 1 318 ? 24.615 -13.518 9.595 1.00 22.71 ? 541 VAL B CG1 1 ATOM 4985 C CG2 . VAL B 1 318 ? 26.808 -14.693 9.127 1.00 26.35 ? 541 VAL B CG2 1 ATOM 4986 N N . SER B 1 319 ? 25.172 -17.380 8.585 1.00 25.24 ? 542 SER B N 1 ATOM 4987 C CA . SER B 1 319 ? 24.879 -18.572 9.372 1.00 25.21 ? 542 SER B CA 1 ATOM 4988 C C . SER B 1 319 ? 25.895 -18.627 10.490 1.00 31.42 ? 542 SER B C 1 ATOM 4989 O O . SER B 1 319 ? 26.970 -18.052 10.377 1.00 30.89 ? 542 SER B O 1 ATOM 4990 C CB . SER B 1 319 ? 25.000 -19.837 8.520 1.00 30.90 ? 542 SER B CB 1 ATOM 4991 O OG . SER B 1 319 ? 24.051 -19.844 7.470 1.00 38.36 ? 542 SER B OG 1 ATOM 4992 N N . VAL B 1 320 ? 25.570 -19.304 11.580 1.00 30.49 ? 543 VAL B N 1 ATOM 4993 C CA . VAL B 1 320 ? 26.515 -19.351 12.688 1.00 33.75 ? 543 VAL B CA 1 ATOM 4994 C C . VAL B 1 320 ? 27.023 -20.755 12.949 1.00 31.28 ? 543 VAL B C 1 ATOM 4995 O O . VAL B 1 320 ? 27.949 -20.944 13.730 1.00 34.41 ? 543 VAL B O 1 ATOM 4996 C CB . VAL B 1 320 ? 25.905 -18.797 13.980 1.00 32.43 ? 543 VAL B CB 1 ATOM 4997 C CG1 . VAL B 1 320 ? 25.503 -17.339 13.796 1.00 43.08 ? 543 VAL B CG1 1 ATOM 4998 C CG2 . VAL B 1 320 ? 24.725 -19.644 14.417 1.00 29.29 ? 543 VAL B CG2 1 ATOM 4999 N N . ASN B 1 321 ? 26.416 -21.732 12.286 1.00 29.81 ? 544 ASN B N 1 ATOM 5000 C CA . ASN B 1 321 ? 26.685 -23.134 12.572 1.00 37.51 ? 544 ASN B CA 1 ATOM 5001 C C . ASN B 1 321 ? 27.112 -23.886 11.318 1.00 48.20 ? 544 ASN B C 1 ATOM 5002 O O . ASN B 1 321 ? 26.500 -23.733 10.259 1.00 47.66 ? 544 ASN B O 1 ATOM 5003 C CB . ASN B 1 321 ? 25.428 -23.779 13.154 1.00 47.08 ? 544 ASN B CB 1 ATOM 5004 C CG . ASN B 1 321 ? 25.738 -24.900 14.113 1.00 66.38 ? 544 ASN B CG 1 ATOM 5005 O OD1 . ASN B 1 321 ? 26.400 -24.695 15.131 1.00 75.72 ? 544 ASN B OD1 1 ATOM 5006 N ND2 . ASN B 1 321 ? 25.246 -26.096 13.804 1.00 66.31 ? 544 ASN B ND2 1 ATOM 5007 N N . PRO B 1 322 ? 28.175 -24.698 11.430 1.00 45.05 ? 545 PRO B N 1 ATOM 5008 C CA . PRO B 1 322 ? 28.643 -25.503 10.298 1.00 54.44 ? 545 PRO B CA 1 ATOM 5009 C C . PRO B 1 322 ? 27.642 -26.611 9.979 1.00 69.27 ? 545 PRO B C 1 ATOM 5010 O O . PRO B 1 322 ? 27.357 -27.454 10.835 1.00 48.68 ? 545 PRO B O 1 ATOM 5011 C CB . PRO B 1 322 ? 29.959 -26.105 10.808 1.00 47.09 ? 545 PRO B CB 1 ATOM 5012 C CG . PRO B 1 322 ? 30.332 -25.294 12.009 1.00 53.77 ? 545 PRO B CG 1 ATOM 5013 C CD . PRO B 1 322 ? 29.043 -24.840 12.609 1.00 49.93 ? 545 PRO B CD 1 ATOM 5014 N N . GLY B 1 323 ? 27.106 -26.593 8.763 1.00 87.37 ? 546 GLY B N 1 ATOM 5015 C CA . GLY B 1 323 ? 26.135 -27.585 8.340 1.00 101.01 ? 546 GLY B CA 1 ATOM 5016 C C . GLY B 1 323 ? 25.957 -27.588 6.835 1.00 110.36 ? 546 GLY B C 1 ATOM 5017 O O . GLY B 1 323 ? 26.666 -26.877 6.121 1.00 115.89 ? 546 GLY B O 1 HETATM 5018 C C1 . NAG C 2 . ? 21.739 24.853 18.282 1.00 100.81 ? 601 NAG A C1 1 HETATM 5019 C C2 . NAG C 2 . ? 21.040 23.698 18.987 1.00 90.70 ? 601 NAG A C2 1 HETATM 5020 C C3 . NAG C 2 . ? 21.993 22.965 19.929 1.00 86.52 ? 601 NAG A C3 1 HETATM 5021 C C4 . NAG C 2 . ? 23.277 22.541 19.224 1.00 88.31 ? 601 NAG A C4 1 HETATM 5022 C C5 . NAG C 2 . ? 23.848 23.707 18.402 1.00 95.44 ? 601 NAG A C5 1 HETATM 5023 C C6 . NAG C 2 . ? 24.929 23.237 17.439 1.00 99.72 ? 601 NAG A C6 1 HETATM 5024 C C7 . NAG C 2 . ? 18.642 23.960 19.283 1.00 84.10 ? 601 NAG A C7 1 HETATM 5025 C C8 . NAG C 2 . ? 17.538 24.636 20.040 1.00 82.38 ? 601 NAG A C8 1 HETATM 5026 N N2 . NAG C 2 . ? 19.882 24.197 19.704 1.00 82.31 ? 601 NAG A N2 1 HETATM 5027 O O3 . NAG C 2 . ? 21.361 21.822 20.458 1.00 83.97 ? 601 NAG A O3 1 HETATM 5028 O O4 . NAG C 2 . ? 24.180 22.075 20.218 1.00 83.77 ? 601 NAG A O4 1 HETATM 5029 O O5 . NAG C 2 . ? 22.880 24.371 17.605 1.00 97.73 ? 601 NAG A O5 1 HETATM 5030 O O6 . NAG C 2 . ? 26.121 23.022 18.153 1.00 102.41 ? 601 NAG A O6 1 HETATM 5031 O O7 . NAG C 2 . ? 18.386 23.230 18.327 1.00 88.04 ? 601 NAG A O7 1 HETATM 5032 C C1 . NAG D 2 . ? 24.332 20.637 20.249 1.00 81.85 ? 602 NAG A C1 1 HETATM 5033 C C2 . NAG D 2 . ? 25.796 20.330 20.613 1.00 83.20 ? 602 NAG A C2 1 HETATM 5034 C C3 . NAG D 2 . ? 26.086 18.954 21.247 1.00 84.23 ? 602 NAG A C3 1 HETATM 5035 C C4 . NAG D 2 . ? 24.950 18.393 22.106 1.00 86.86 ? 602 NAG A C4 1 HETATM 5036 C C5 . NAG D 2 . ? 23.617 18.649 21.401 1.00 85.15 ? 602 NAG A C5 1 HETATM 5037 C C6 . NAG D 2 . ? 22.461 18.132 22.248 1.00 87.44 ? 602 NAG A C6 1 HETATM 5038 C C7 . NAG D 2 . ? 27.781 21.180 19.530 1.00 87.47 ? 602 NAG A C7 1 HETATM 5039 C C8 . NAG D 2 . ? 28.667 21.153 18.318 1.00 79.96 ? 602 NAG A C8 1 HETATM 5040 N N2 . NAG D 2 . ? 26.647 20.489 19.447 1.00 91.21 ? 602 NAG A N2 1 HETATM 5041 O O3 . NAG D 2 . ? 27.303 19.009 21.970 1.00 79.13 ? 602 NAG A O3 1 HETATM 5042 O O4 . NAG D 2 . ? 25.158 16.999 22.339 1.00 92.56 ? 602 NAG A O4 1 HETATM 5043 O O5 . NAG D 2 . ? 23.415 20.036 21.150 1.00 82.37 ? 602 NAG A O5 1 HETATM 5044 O O6 . NAG D 2 . ? 22.339 18.941 23.399 1.00 88.13 ? 602 NAG A O6 1 HETATM 5045 O O7 . NAG D 2 . ? 28.103 21.814 20.537 1.00 83.13 ? 602 NAG A O7 1 HETATM 5046 C C1 . BMA E 3 . ? 25.637 16.641 23.660 1.00 99.08 ? 603 BMA A C1 1 HETATM 5047 C C2 . BMA E 3 . ? 24.942 15.360 24.107 1.00 107.59 ? 603 BMA A C2 1 HETATM 5048 C C3 . BMA E 3 . ? 25.504 14.732 25.385 1.00 114.65 ? 603 BMA A C3 1 HETATM 5049 C C4 . BMA E 3 . ? 27.021 14.666 25.295 1.00 111.05 ? 603 BMA A C4 1 HETATM 5050 C C5 . BMA E 3 . ? 27.558 16.041 24.916 1.00 104.28 ? 603 BMA A C5 1 HETATM 5051 C C6 . BMA E 3 . ? 29.091 16.010 24.943 1.00 103.63 ? 603 BMA A C6 1 HETATM 5052 O O2 . BMA E 3 . ? 25.189 14.410 23.109 1.00 109.87 ? 603 BMA A O2 1 HETATM 5053 O O3 . BMA E 3 . ? 25.002 13.409 25.586 1.00 125.26 ? 603 BMA A O3 1 HETATM 5054 O O4 . BMA E 3 . ? 27.585 14.261 26.527 1.00 113.01 ? 603 BMA A O4 1 HETATM 5055 O O5 . BMA E 3 . ? 27.033 16.448 23.666 1.00 102.54 ? 603 BMA A O5 1 HETATM 5056 O O6 . BMA E 3 . ? 29.622 15.146 23.953 1.00 108.70 ? 603 BMA A O6 1 HETATM 5057 C C1 . MAN F 4 . ? 30.742 15.838 23.375 1.00 117.81 ? 604 MAN A C1 1 HETATM 5058 C C2 . MAN F 4 . ? 30.840 15.604 21.876 1.00 116.37 ? 604 MAN A C2 1 HETATM 5059 C C3 . MAN F 4 . ? 30.948 14.110 21.625 1.00 115.77 ? 604 MAN A C3 1 HETATM 5060 C C4 . MAN F 4 . ? 32.096 13.547 22.459 1.00 118.86 ? 604 MAN A C4 1 HETATM 5061 C C5 . MAN F 4 . ? 31.996 13.979 23.921 1.00 120.46 ? 604 MAN A C5 1 HETATM 5062 C C6 . MAN F 4 . ? 33.175 13.474 24.746 1.00 116.54 ? 604 MAN A C6 1 HETATM 5063 O O2 . MAN F 4 . ? 32.007 16.233 21.396 1.00 113.56 ? 604 MAN A O2 1 HETATM 5064 O O3 . MAN F 4 . ? 31.180 13.869 20.254 1.00 114.55 ? 604 MAN A O3 1 HETATM 5065 O O4 . MAN F 4 . ? 32.080 12.142 22.398 1.00 117.34 ? 604 MAN A O4 1 HETATM 5066 O O5 . MAN F 4 . ? 31.930 15.388 23.987 1.00 122.61 ? 604 MAN A O5 1 HETATM 5067 O O6 . MAN F 4 . ? 34.356 14.151 24.378 1.00 114.54 ? 604 MAN A O6 1 HETATM 5068 C C1 . MAN G 4 . ? 23.563 13.424 25.764 1.00 129.99 ? 605 MAN A C1 1 HETATM 5069 C C2 . MAN G 4 . ? 23.080 12.301 26.689 1.00 127.88 ? 605 MAN A C2 1 HETATM 5070 C C3 . MAN G 4 . ? 23.208 10.927 26.028 1.00 125.89 ? 605 MAN A C3 1 HETATM 5071 C C4 . MAN G 4 . ? 22.615 10.974 24.623 1.00 120.43 ? 605 MAN A C4 1 HETATM 5072 C C5 . MAN G 4 . ? 23.194 12.154 23.851 1.00 121.80 ? 605 MAN A C5 1 HETATM 5073 C C6 . MAN G 4 . ? 22.653 12.239 22.431 1.00 119.59 ? 605 MAN A C6 1 HETATM 5074 O O2 . MAN G 4 . ? 21.734 12.529 27.049 1.00 124.13 ? 605 MAN A O2 1 HETATM 5075 O O3 . MAN G 4 . ? 22.529 9.949 26.790 1.00 127.15 ? 605 MAN A O3 1 HETATM 5076 O O4 . MAN G 4 . ? 22.877 9.770 23.939 1.00 116.61 ? 605 MAN A O4 1 HETATM 5077 O O5 . MAN G 4 . ? 22.875 13.345 24.533 1.00 128.57 ? 605 MAN A O5 1 HETATM 5078 O O6 . MAN G 4 . ? 23.357 11.339 21.605 1.00 117.83 ? 605 MAN A O6 1 HETATM 5079 S S . SO4 H 5 . ? 26.238 7.133 16.846 1.00 62.41 ? 606 SO4 A S 1 HETATM 5080 O O1 . SO4 H 5 . ? 27.402 8.012 16.764 1.00 78.07 ? 606 SO4 A O1 1 HETATM 5081 O O2 . SO4 H 5 . ? 25.819 6.763 15.499 1.00 61.58 ? 606 SO4 A O2 1 HETATM 5082 O O3 . SO4 H 5 . ? 26.563 5.938 17.624 1.00 53.56 ? 606 SO4 A O3 1 HETATM 5083 O O4 . SO4 H 5 . ? 25.140 7.841 17.503 1.00 71.93 ? 606 SO4 A O4 1 HETATM 5084 S S . SO4 I 5 . ? 49.906 12.619 38.272 1.00 109.99 ? 607 SO4 A S 1 HETATM 5085 O O1 . SO4 I 5 . ? 51.351 12.635 38.078 1.00 114.03 ? 607 SO4 A O1 1 HETATM 5086 O O2 . SO4 I 5 . ? 49.258 13.099 37.054 1.00 107.62 ? 607 SO4 A O2 1 HETATM 5087 O O3 . SO4 I 5 . ? 49.480 11.255 38.571 1.00 109.29 ? 607 SO4 A O3 1 HETATM 5088 O O4 . SO4 I 5 . ? 49.546 13.488 39.389 1.00 114.98 ? 607 SO4 A O4 1 HETATM 5089 S S . SO4 J 5 . ? 21.326 2.711 25.348 1.00 111.24 ? 608 SO4 A S 1 HETATM 5090 O O1 . SO4 J 5 . ? 21.018 2.754 23.906 1.00 109.67 ? 608 SO4 A O1 1 HETATM 5091 O O2 . SO4 J 5 . ? 20.118 2.364 26.114 1.00 110.61 ? 608 SO4 A O2 1 HETATM 5092 O O3 . SO4 J 5 . ? 22.364 1.705 25.607 1.00 103.68 ? 608 SO4 A O3 1 HETATM 5093 O O4 . SO4 J 5 . ? 21.825 4.019 25.800 1.00 111.04 ? 608 SO4 A O4 1 HETATM 5094 C C1 . GOL K 6 . ? 27.422 26.364 46.621 1.00 93.97 ? 609 GOL A C1 1 HETATM 5095 O O1 . GOL K 6 . ? 26.411 25.450 46.252 1.00 99.60 ? 609 GOL A O1 1 HETATM 5096 C C2 . GOL K 6 . ? 26.851 27.732 46.990 1.00 82.05 ? 609 GOL A C2 1 HETATM 5097 O O2 . GOL K 6 . ? 27.903 28.667 46.899 1.00 76.61 ? 609 GOL A O2 1 HETATM 5098 C C3 . GOL K 6 . ? 25.746 28.175 46.034 1.00 79.39 ? 609 GOL A C3 1 HETATM 5099 O O3 . GOL K 6 . ? 25.733 27.388 44.864 1.00 76.32 ? 609 GOL A O3 1 HETATM 5100 C C . TRS L 7 . ? 38.672 8.646 21.892 1.00 81.03 ? 610 TRS A C 1 HETATM 5101 C C1 . TRS L 7 . ? 38.705 7.881 20.572 1.00 73.79 ? 610 TRS A C1 1 HETATM 5102 C C2 . TRS L 7 . ? 38.285 10.098 21.634 1.00 96.79 ? 610 TRS A C2 1 HETATM 5103 C C3 . TRS L 7 . ? 40.018 8.582 22.600 1.00 72.89 ? 610 TRS A C3 1 HETATM 5104 N N . TRS L 7 . ? 37.671 8.043 22.774 1.00 85.39 ? 610 TRS A N 1 HETATM 5105 O O1 . TRS L 7 . ? 38.109 6.609 20.724 1.00 64.21 ? 610 TRS A O1 1 HETATM 5106 O O2 . TRS L 7 . ? 38.754 10.490 20.362 1.00 104.34 ? 610 TRS A O2 1 HETATM 5107 O O3 . TRS L 7 . ? 40.495 9.890 22.815 1.00 70.01 ? 610 TRS A O3 1 HETATM 5108 C C1 . GOL M 6 . ? 4.689 4.636 37.913 1.00 90.56 ? 601 GOL B C1 1 HETATM 5109 O O1 . GOL M 6 . ? 3.469 3.945 37.761 1.00 93.55 ? 601 GOL B O1 1 HETATM 5110 C C2 . GOL M 6 . ? 4.525 5.790 38.892 1.00 89.39 ? 601 GOL B C2 1 HETATM 5111 O O2 . GOL M 6 . ? 5.760 6.018 39.539 1.00 84.51 ? 601 GOL B O2 1 HETATM 5112 C C3 . GOL M 6 . ? 4.108 7.044 38.130 1.00 88.83 ? 601 GOL B C3 1 HETATM 5113 O O3 . GOL M 6 . ? 4.489 6.929 36.777 1.00 83.19 ? 601 GOL B O3 1 HETATM 5114 O O1 . PG4 N 8 . ? 12.570 5.134 55.852 1.00 73.24 ? 602 PG4 B O1 1 HETATM 5115 C C1 . PG4 N 8 . ? 13.709 4.352 55.661 1.00 76.53 ? 602 PG4 B C1 1 HETATM 5116 C C2 . PG4 N 8 . ? 14.085 3.345 56.733 1.00 82.91 ? 602 PG4 B C2 1 HETATM 5117 O O2 . PG4 N 8 . ? 15.298 2.701 56.510 1.00 83.23 ? 602 PG4 B O2 1 HETATM 5118 C C3 . PG4 N 8 . ? 16.159 2.430 57.571 1.00 86.02 ? 602 PG4 B C3 1 HETATM 5119 C C4 . PG4 N 8 . ? 17.655 2.548 57.300 1.00 81.90 ? 602 PG4 B C4 1 HETATM 5120 O O3 . PG4 N 8 . ? 18.077 2.633 55.975 1.00 69.53 ? 602 PG4 B O3 1 HETATM 5121 C C5 . PG4 N 8 . ? 18.678 1.534 55.376 1.00 68.95 ? 602 PG4 B C5 1 HETATM 5122 C C6 . PG4 N 8 . ? 19.433 1.847 54.092 1.00 67.58 ? 602 PG4 B C6 1 HETATM 5123 O O4 . PG4 N 8 . ? 20.781 2.189 54.157 1.00 66.96 ? 602 PG4 B O4 1 HETATM 5124 C C7 . PG4 N 8 . ? 21.553 1.990 53.010 1.00 79.92 ? 602 PG4 B C7 1 HETATM 5125 C C8 . PG4 N 8 . ? 22.587 3.041 52.639 1.00 74.54 ? 602 PG4 B C8 1 HETATM 5126 O O5 . PG4 N 8 . ? 22.159 3.932 51.655 1.00 75.44 ? 602 PG4 B O5 1 HETATM 5127 S S . SO4 O 5 . ? 0.080 -5.962 -5.976 1.00 75.77 ? 603 SO4 B S 1 HETATM 5128 O O1 . SO4 O 5 . ? 1.337 -5.789 -6.700 1.00 77.17 ? 603 SO4 B O1 1 HETATM 5129 O O2 . SO4 O 5 . ? -0.698 -4.727 -6.052 1.00 79.42 ? 603 SO4 B O2 1 HETATM 5130 O O3 . SO4 O 5 . ? -0.671 -7.059 -6.585 1.00 67.65 ? 603 SO4 B O3 1 HETATM 5131 O O4 . SO4 O 5 . ? 0.351 -6.269 -4.574 1.00 66.12 ? 603 SO4 B O4 1 HETATM 5132 C C1 . NAG P 2 . ? 7.251 14.066 28.816 1.00 57.53 ? 604 NAG B C1 1 HETATM 5133 C C2 . NAG P 2 . ? 8.460 14.831 28.282 1.00 56.89 ? 604 NAG B C2 1 HETATM 5134 C C3 . NAG P 2 . ? 8.459 14.871 26.758 1.00 50.59 ? 604 NAG B C3 1 HETATM 5135 C C4 . NAG P 2 . ? 8.328 13.474 26.170 1.00 51.86 ? 604 NAG B C4 1 HETATM 5136 C C5 . NAG P 2 . ? 7.260 12.626 26.862 1.00 55.26 ? 604 NAG B C5 1 HETATM 5137 C C6 . NAG P 2 . ? 7.540 11.163 26.529 1.00 57.20 ? 604 NAG B C6 1 HETATM 5138 C C7 . NAG P 2 . ? 9.500 16.628 29.548 1.00 62.39 ? 604 NAG B C7 1 HETATM 5139 C C8 . NAG P 2 . ? 9.226 17.869 30.342 1.00 64.35 ? 604 NAG B C8 1 HETATM 5140 N N2 . NAG P 2 . ? 8.489 16.182 28.804 1.00 55.36 ? 604 NAG B N2 1 HETATM 5141 O O3 . NAG P 2 . ? 9.654 15.460 26.292 1.00 52.92 ? 604 NAG B O3 1 HETATM 5142 O O4 . NAG P 2 . ? 8.014 13.613 24.797 1.00 49.33 ? 604 NAG B O4 1 HETATM 5143 O O5 . NAG P 2 . ? 7.245 12.758 28.276 1.00 55.91 ? 604 NAG B O5 1 HETATM 5144 O O6 . NAG P 2 . ? 6.459 10.357 26.932 1.00 64.62 ? 604 NAG B O6 1 HETATM 5145 O O7 . NAG P 2 . ? 10.604 16.084 29.598 1.00 72.87 ? 604 NAG B O7 1 HETATM 5146 C C1 . NAG Q 2 . ? 9.176 13.401 23.980 1.00 43.59 ? 605 NAG B C1 1 HETATM 5147 C C2 . NAG Q 2 . ? 8.743 12.631 22.729 1.00 41.31 ? 605 NAG B C2 1 HETATM 5148 C C3 . NAG Q 2 . ? 9.822 12.564 21.646 1.00 44.88 ? 605 NAG B C3 1 HETATM 5149 C C4 . NAG Q 2 . ? 10.521 13.902 21.437 1.00 52.70 ? 605 NAG B C4 1 HETATM 5150 C C5 . NAG Q 2 . ? 10.907 14.537 22.775 1.00 57.91 ? 605 NAG B C5 1 HETATM 5151 C C6 . NAG Q 2 . ? 11.476 15.942 22.592 1.00 58.94 ? 605 NAG B C6 1 HETATM 5152 C C7 . NAG Q 2 . ? 7.005 10.956 22.817 1.00 57.65 ? 605 NAG B C7 1 HETATM 5153 C C8 . NAG Q 2 . ? 6.089 12.052 22.365 1.00 56.88 ? 605 NAG B C8 1 HETATM 5154 N N2 . NAG Q 2 . ? 8.267 11.301 23.068 1.00 48.57 ? 605 NAG B N2 1 HETATM 5155 O O3 . NAG Q 2 . ? 9.246 12.113 20.438 1.00 50.15 ? 605 NAG B O3 1 HETATM 5156 O O4 . NAG Q 2 . ? 11.670 13.664 20.636 1.00 58.11 ? 605 NAG B O4 1 HETATM 5157 O O5 . NAG Q 2 . ? 9.794 14.630 23.650 1.00 54.70 ? 605 NAG B O5 1 HETATM 5158 O O6 . NAG Q 2 . ? 10.428 16.890 22.572 1.00 58.83 ? 605 NAG B O6 1 HETATM 5159 O O7 . NAG Q 2 . ? 6.580 9.811 22.939 1.00 64.16 ? 605 NAG B O7 1 HETATM 5160 C C1 . BMA R 3 . ? 11.414 13.860 19.222 1.00 62.45 ? 606 BMA B C1 1 HETATM 5161 C C2 . BMA R 3 . ? 12.721 14.290 18.568 1.00 69.59 ? 606 BMA B C2 1 HETATM 5162 C C3 . BMA R 3 . ? 12.726 14.233 17.040 1.00 74.47 ? 606 BMA B C3 1 HETATM 5163 C C4 . BMA R 3 . ? 12.063 12.965 16.522 1.00 67.10 ? 606 BMA B C4 1 HETATM 5164 C C5 . BMA R 3 . ? 10.733 12.760 17.226 1.00 67.60 ? 606 BMA B C5 1 HETATM 5165 C C6 . BMA R 3 . ? 10.023 11.499 16.730 1.00 70.48 ? 606 BMA B C6 1 HETATM 5166 O O2 . BMA R 3 . ? 13.695 13.370 19.000 1.00 61.98 ? 606 BMA B O2 1 HETATM 5167 O O3 . BMA R 3 . ? 14.067 14.275 16.578 1.00 80.04 ? 606 BMA B O3 1 HETATM 5168 O O4 . BMA R 3 . ? 11.830 13.079 15.139 1.00 52.68 ? 606 BMA B O4 1 HETATM 5169 O O5 . BMA R 3 . ? 10.945 12.674 18.622 1.00 64.99 ? 606 BMA B O5 1 HETATM 5170 O O6 . BMA R 3 . ? 10.706 10.343 17.176 1.00 74.04 ? 606 BMA B O6 1 HETATM 5171 C C1 . MAN S 4 . ? 10.151 9.152 16.573 1.00 78.40 ? 607 MAN B C1 1 HETATM 5172 C C2 . MAN S 4 . ? 11.109 7.973 16.700 1.00 86.02 ? 607 MAN B C2 1 HETATM 5173 C C3 . MAN S 4 . ? 12.329 8.117 15.801 1.00 93.35 ? 607 MAN B C3 1 HETATM 5174 C C4 . MAN S 4 . ? 11.887 8.418 14.375 1.00 94.00 ? 607 MAN B C4 1 HETATM 5175 C C5 . MAN S 4 . ? 10.853 9.537 14.326 1.00 85.92 ? 607 MAN B C5 1 HETATM 5176 C C6 . MAN S 4 . ? 10.310 9.696 12.909 1.00 81.30 ? 607 MAN B C6 1 HETATM 5177 O O2 . MAN S 4 . ? 10.402 6.791 16.396 1.00 87.59 ? 607 MAN B O2 1 HETATM 5178 O O3 . MAN S 4 . ? 13.087 6.924 15.826 1.00 97.09 ? 607 MAN B O3 1 HETATM 5179 O O4 . MAN S 4 . ? 13.006 8.814 13.614 1.00 99.75 ? 607 MAN B O4 1 HETATM 5180 O O5 . MAN S 4 . ? 9.777 9.295 15.214 1.00 82.49 ? 607 MAN B O5 1 HETATM 5181 O O6 . MAN S 4 . ? 9.550 8.567 12.536 1.00 82.27 ? 607 MAN B O6 1 HETATM 5182 C C1 . MAN T 4 . ? 14.560 15.632 16.568 1.00 88.65 ? 608 MAN B C1 1 HETATM 5183 C C2 . MAN T 4 . ? 15.659 15.772 15.518 1.00 94.94 ? 608 MAN B C2 1 HETATM 5184 C C3 . MAN T 4 . ? 16.825 14.851 15.867 1.00 97.01 ? 608 MAN B C3 1 HETATM 5185 C C4 . MAN T 4 . ? 17.266 15.109 17.304 1.00 93.56 ? 608 MAN B C4 1 HETATM 5186 C C5 . MAN T 4 . ? 16.052 15.051 18.226 1.00 95.19 ? 608 MAN B C5 1 HETATM 5187 C C6 . MAN T 4 . ? 16.425 15.253 19.691 1.00 99.12 ? 608 MAN B C6 1 HETATM 5188 O O2 . MAN T 4 . ? 16.107 17.109 15.476 1.00 95.72 ? 608 MAN B O2 1 HETATM 5189 O O3 . MAN T 4 . ? 17.916 15.064 14.997 1.00 101.58 ? 608 MAN B O3 1 HETATM 5190 O O4 . MAN T 4 . ? 18.218 14.147 17.702 1.00 88.64 ? 608 MAN B O4 1 HETATM 5191 O O5 . MAN T 4 . ? 15.095 16.007 17.815 1.00 91.80 ? 608 MAN B O5 1 HETATM 5192 O O6 . MAN T 4 . ? 16.627 13.994 20.296 1.00 99.21 ? 608 MAN B O6 1 HETATM 5193 O O . HOH U 9 . ? 46.998 -4.675 28.293 1.00 41.45 ? 701 HOH A O 1 HETATM 5194 O O . HOH U 9 . ? 42.392 5.793 13.025 1.00 45.21 ? 702 HOH A O 1 HETATM 5195 O O . HOH U 9 . ? 33.709 -10.712 27.420 1.00 48.56 ? 703 HOH A O 1 HETATM 5196 O O . HOH U 9 . ? 43.227 -3.127 33.700 1.00 41.07 ? 704 HOH A O 1 HETATM 5197 O O . HOH U 9 . ? 21.259 21.253 37.624 1.00 44.54 ? 705 HOH A O 1 HETATM 5198 O O . HOH U 9 . ? 9.641 22.692 57.544 1.00 41.52 ? 706 HOH A O 1 HETATM 5199 O O . HOH U 9 . ? 21.636 25.128 39.726 1.00 39.77 ? 707 HOH A O 1 HETATM 5200 O O . HOH U 9 . ? 39.076 -4.944 -2.931 1.00 57.75 ? 708 HOH A O 1 HETATM 5201 O O . HOH U 9 . ? 47.475 -10.704 12.016 1.00 24.58 ? 709 HOH A O 1 HETATM 5202 O O . HOH U 9 . ? 17.157 2.105 63.607 1.00 38.77 ? 710 HOH A O 1 HETATM 5203 O O . HOH U 9 . ? 31.311 5.137 59.817 1.00 48.34 ? 711 HOH A O 1 HETATM 5204 O O . HOH U 9 . ? 50.007 -1.223 -4.276 1.00 54.35 ? 712 HOH A O 1 HETATM 5205 O O . HOH U 9 . ? 8.054 15.558 60.679 1.00 37.97 ? 713 HOH A O 1 HETATM 5206 O O . HOH U 9 . ? 28.345 14.070 72.802 1.00 50.77 ? 714 HOH A O 1 HETATM 5207 O O . HOH U 9 . ? 13.580 5.861 68.466 1.00 44.12 ? 715 HOH A O 1 HETATM 5208 O O . HOH U 9 . ? 33.377 3.730 -1.670 1.00 53.35 ? 716 HOH A O 1 HETATM 5209 O O . HOH U 9 . ? 49.722 5.193 20.418 1.00 64.12 ? 717 HOH A O 1 HETATM 5210 O O . HOH U 9 . ? 50.360 -3.628 9.377 1.00 43.02 ? 718 HOH A O 1 HETATM 5211 O O . HOH U 9 . ? 28.606 13.893 54.878 1.00 38.88 ? 719 HOH A O 1 HETATM 5212 O O . HOH U 9 . ? 25.941 17.377 50.746 1.00 40.08 ? 720 HOH A O 1 HETATM 5213 O O . HOH U 9 . ? 33.946 -3.953 0.088 1.00 33.23 ? 721 HOH A O 1 HETATM 5214 O O . HOH U 9 . ? 42.123 -10.134 20.776 1.00 38.82 ? 722 HOH A O 1 HETATM 5215 O O . HOH U 9 . ? 44.751 -7.615 26.617 1.00 36.70 ? 723 HOH A O 1 HETATM 5216 O O . HOH U 9 . ? 22.331 22.724 67.495 1.00 51.11 ? 724 HOH A O 1 HETATM 5217 O O . HOH U 9 . ? 22.113 28.505 5.682 1.00 59.72 ? 725 HOH A O 1 HETATM 5218 O O . HOH U 9 . ? 30.777 12.499 33.701 1.00 37.73 ? 726 HOH A O 1 HETATM 5219 O O . HOH U 9 . ? 45.890 8.918 15.918 1.00 46.58 ? 727 HOH A O 1 HETATM 5220 O O . HOH U 9 . ? 39.374 -8.851 26.840 1.00 42.49 ? 728 HOH A O 1 HETATM 5221 O O . HOH U 9 . ? 15.581 29.508 52.854 1.00 36.63 ? 729 HOH A O 1 HETATM 5222 O O . HOH U 9 . ? 51.282 3.041 8.395 1.00 45.82 ? 730 HOH A O 1 HETATM 5223 O O . HOH U 9 . ? 3.346 22.868 55.211 1.00 51.85 ? 731 HOH A O 1 HETATM 5224 O O . HOH U 9 . ? 44.171 12.493 22.365 1.00 59.66 ? 732 HOH A O 1 HETATM 5225 O O . HOH U 9 . ? 14.199 28.307 60.238 1.00 38.56 ? 733 HOH A O 1 HETATM 5226 O O . HOH U 9 . ? 15.104 27.513 36.638 1.00 50.20 ? 734 HOH A O 1 HETATM 5227 O O . HOH U 9 . ? 20.115 6.933 69.295 1.00 47.33 ? 735 HOH A O 1 HETATM 5228 O O . HOH U 9 . ? 34.772 8.359 43.150 1.00 46.37 ? 736 HOH A O 1 HETATM 5229 O O . HOH U 9 . ? 43.007 -0.084 35.063 1.00 42.19 ? 737 HOH A O 1 HETATM 5230 O O . HOH U 9 . ? 8.219 8.738 46.651 1.00 49.61 ? 738 HOH A O 1 HETATM 5231 O O . HOH U 9 . ? 26.846 13.196 71.417 1.00 42.40 ? 739 HOH A O 1 HETATM 5232 O O . HOH U 9 . ? 26.375 7.262 57.007 1.00 34.70 ? 740 HOH A O 1 HETATM 5233 O O . HOH U 9 . ? 17.762 17.261 47.477 1.00 26.60 ? 741 HOH A O 1 HETATM 5234 O O . HOH U 9 . ? 13.934 22.357 40.567 1.00 47.82 ? 742 HOH A O 1 HETATM 5235 O O . HOH U 9 . ? 27.586 1.394 19.887 1.00 29.99 ? 743 HOH A O 1 HETATM 5236 O O . HOH U 9 . ? 14.133 6.627 62.859 1.00 48.13 ? 744 HOH A O 1 HETATM 5237 O O . HOH U 9 . ? 35.299 12.052 45.450 1.00 43.93 ? 745 HOH A O 1 HETATM 5238 O O . HOH U 9 . ? 12.534 7.639 54.867 1.00 37.14 ? 746 HOH A O 1 HETATM 5239 O O . HOH U 9 . ? 29.590 17.355 43.559 1.00 39.23 ? 747 HOH A O 1 HETATM 5240 O O . HOH U 9 . ? 14.089 18.934 42.313 1.00 36.07 ? 748 HOH A O 1 HETATM 5241 O O . HOH U 9 . ? 37.364 6.409 18.151 1.00 41.91 ? 749 HOH A O 1 HETATM 5242 O O . HOH U 9 . ? 6.760 10.533 50.640 1.00 40.05 ? 750 HOH A O 1 HETATM 5243 O O . HOH U 9 . ? 38.271 16.169 28.133 1.00 38.15 ? 751 HOH A O 1 HETATM 5244 O O . HOH U 9 . ? 43.893 -11.526 13.966 1.00 28.38 ? 752 HOH A O 1 HETATM 5245 O O . HOH U 9 . ? 46.872 4.627 0.610 1.00 45.31 ? 753 HOH A O 1 HETATM 5246 O O . HOH U 9 . ? 27.562 5.536 13.850 1.00 33.93 ? 754 HOH A O 1 HETATM 5247 O O . HOH U 9 . ? 36.387 -13.045 22.571 1.00 35.46 ? 755 HOH A O 1 HETATM 5248 O O . HOH U 9 . ? 39.942 5.836 6.258 1.00 47.78 ? 756 HOH A O 1 HETATM 5249 O O . HOH U 9 . ? 22.583 4.114 59.781 1.00 31.46 ? 757 HOH A O 1 HETATM 5250 O O . HOH U 9 . ? 27.152 -6.258 69.095 1.00 43.81 ? 758 HOH A O 1 HETATM 5251 O O . HOH U 9 . ? 20.511 27.911 36.771 1.00 47.71 ? 759 HOH A O 1 HETATM 5252 O O . HOH U 9 . ? 18.074 27.878 51.793 1.00 38.92 ? 760 HOH A O 1 HETATM 5253 O O . HOH U 9 . ? 43.976 5.601 15.420 1.00 37.34 ? 761 HOH A O 1 HETATM 5254 O O . HOH U 9 . ? 19.483 25.264 38.013 1.00 43.63 ? 762 HOH A O 1 HETATM 5255 O O . HOH U 9 . ? 37.613 9.863 40.173 1.00 36.49 ? 763 HOH A O 1 HETATM 5256 O O . HOH U 9 . ? 39.502 -11.344 6.217 1.00 39.67 ? 764 HOH A O 1 HETATM 5257 O O . HOH U 9 . ? 40.195 -10.658 12.759 1.00 28.97 ? 765 HOH A O 1 HETATM 5258 O O . HOH U 9 . ? 30.250 12.038 56.688 1.00 37.05 ? 766 HOH A O 1 HETATM 5259 O O . HOH U 9 . ? 28.050 -2.556 -7.775 1.00 39.78 ? 767 HOH A O 1 HETATM 5260 O O . HOH U 9 . ? 42.944 7.043 17.361 1.00 48.78 ? 768 HOH A O 1 HETATM 5261 O O . HOH U 9 . ? 9.195 6.881 43.548 1.00 33.55 ? 769 HOH A O 1 HETATM 5262 O O . HOH U 9 . ? 16.194 8.355 69.889 1.00 63.57 ? 770 HOH A O 1 HETATM 5263 O O . HOH U 9 . ? 33.982 10.691 59.431 1.00 39.55 ? 771 HOH A O 1 HETATM 5264 O O . HOH U 9 . ? 51.676 -0.592 -1.770 1.00 47.22 ? 772 HOH A O 1 HETATM 5265 O O . HOH U 9 . ? 36.970 14.334 46.855 1.00 46.96 ? 773 HOH A O 1 HETATM 5266 O O . HOH U 9 . ? 17.660 -2.306 20.890 1.00 61.23 ? 774 HOH A O 1 HETATM 5267 O O . HOH U 9 . ? 2.307 18.271 52.255 1.00 60.02 ? 775 HOH A O 1 HETATM 5268 O O . HOH U 9 . ? 26.361 -9.115 24.545 1.00 50.04 ? 776 HOH A O 1 HETATM 5269 O O . HOH U 9 . ? 16.367 13.169 65.241 1.00 30.76 ? 777 HOH A O 1 HETATM 5270 O O . HOH U 9 . ? 21.718 -4.175 22.386 1.00 37.85 ? 778 HOH A O 1 HETATM 5271 O O . HOH U 9 . ? 9.597 11.747 60.946 1.00 48.07 ? 779 HOH A O 1 HETATM 5272 O O . HOH U 9 . ? 43.854 26.891 28.979 1.00 57.45 ? 780 HOH A O 1 HETATM 5273 O O . HOH U 9 . ? 19.922 24.427 57.652 1.00 26.02 ? 781 HOH A O 1 HETATM 5274 O O . HOH U 9 . ? 32.898 6.006 20.864 1.00 44.36 ? 782 HOH A O 1 HETATM 5275 O O . HOH U 9 . ? 37.009 13.997 28.330 1.00 40.14 ? 783 HOH A O 1 HETATM 5276 O O . HOH U 9 . ? 31.209 -0.330 -6.242 1.00 38.76 ? 784 HOH A O 1 HETATM 5277 O O . HOH U 9 . ? 51.120 -4.723 11.647 1.00 51.29 ? 785 HOH A O 1 HETATM 5278 O O . HOH U 9 . ? 30.092 8.562 17.023 1.00 42.66 ? 786 HOH A O 1 HETATM 5279 O O . HOH U 9 . ? 20.399 20.525 40.239 1.00 45.84 ? 787 HOH A O 1 HETATM 5280 O O . HOH U 9 . ? 33.831 -8.922 29.205 1.00 48.07 ? 788 HOH A O 1 HETATM 5281 O O . HOH U 9 . ? 34.069 7.064 1.919 1.00 42.91 ? 789 HOH A O 1 HETATM 5282 O O . HOH U 9 . ? 50.126 2.974 6.115 1.00 55.25 ? 790 HOH A O 1 HETATM 5283 O O . HOH U 9 . ? 13.161 29.538 51.410 1.00 38.72 ? 791 HOH A O 1 HETATM 5284 O O . HOH U 9 . ? 33.308 2.467 -7.013 1.00 48.39 ? 792 HOH A O 1 HETATM 5285 O O . HOH U 9 . ? 37.423 -11.556 10.389 1.00 29.35 ? 793 HOH A O 1 HETATM 5286 O O . HOH U 9 . ? 47.851 16.798 41.091 1.00 63.41 ? 794 HOH A O 1 HETATM 5287 O O . HOH U 9 . ? 31.575 6.460 74.980 1.00 41.99 ? 795 HOH A O 1 HETATM 5288 O O . HOH U 9 . ? 27.110 22.364 57.422 1.00 40.85 ? 796 HOH A O 1 HETATM 5289 O O . HOH U 9 . ? 27.535 14.632 51.145 1.00 45.21 ? 797 HOH A O 1 HETATM 5290 O O . HOH U 9 . ? 14.060 10.044 68.545 1.00 46.76 ? 798 HOH A O 1 HETATM 5291 O O . HOH U 9 . ? 37.439 7.445 31.989 1.00 35.43 ? 799 HOH A O 1 HETATM 5292 O O . HOH U 9 . ? 24.145 13.667 51.939 1.00 26.97 ? 800 HOH A O 1 HETATM 5293 O O . HOH U 9 . ? 37.752 2.519 30.505 1.00 31.48 ? 801 HOH A O 1 HETATM 5294 O O . HOH U 9 . ? 23.246 16.889 67.290 1.00 30.97 ? 802 HOH A O 1 HETATM 5295 O O . HOH U 9 . ? 14.657 32.993 61.099 1.00 43.24 ? 803 HOH A O 1 HETATM 5296 O O . HOH U 9 . ? 26.334 20.731 55.729 1.00 33.81 ? 804 HOH A O 1 HETATM 5297 O O . HOH U 9 . ? 34.182 5.646 9.084 1.00 38.67 ? 805 HOH A O 1 HETATM 5298 O O . HOH U 9 . ? 48.006 27.166 34.492 1.00 56.08 ? 806 HOH A O 1 HETATM 5299 O O . HOH U 9 . ? 9.468 8.256 50.815 1.00 43.28 ? 807 HOH A O 1 HETATM 5300 O O . HOH U 9 . ? 16.972 24.380 44.495 1.00 46.08 ? 808 HOH A O 1 HETATM 5301 O O . HOH U 9 . ? 31.175 17.328 28.114 1.00 37.50 ? 809 HOH A O 1 HETATM 5302 O O . HOH U 9 . ? 40.917 12.967 28.480 1.00 33.66 ? 810 HOH A O 1 HETATM 5303 O O . HOH U 9 . ? 45.338 -10.409 10.494 1.00 37.56 ? 811 HOH A O 1 HETATM 5304 O O . HOH U 9 . ? 23.136 11.245 49.792 1.00 41.01 ? 812 HOH A O 1 HETATM 5305 O O . HOH U 9 . ? 33.760 17.139 64.501 1.00 34.58 ? 813 HOH A O 1 HETATM 5306 O O . HOH U 9 . ? 48.610 4.830 5.052 1.00 51.63 ? 814 HOH A O 1 HETATM 5307 O O . HOH U 9 . ? 23.304 -2.140 63.200 1.00 42.42 ? 815 HOH A O 1 HETATM 5308 O O . HOH U 9 . ? 13.385 17.391 64.623 1.00 30.82 ? 816 HOH A O 1 HETATM 5309 O O . HOH U 9 . ? 35.591 5.360 21.661 1.00 41.85 ? 817 HOH A O 1 HETATM 5310 O O . HOH U 9 . ? 29.318 12.904 18.372 1.00 59.11 ? 818 HOH A O 1 HETATM 5311 O O . HOH U 9 . ? 35.166 -3.385 -2.495 1.00 36.89 ? 819 HOH A O 1 HETATM 5312 O O . HOH U 9 . ? 37.127 -10.621 7.759 1.00 33.87 ? 820 HOH A O 1 HETATM 5313 O O . HOH U 9 . ? 16.104 25.567 40.130 1.00 41.37 ? 821 HOH A O 1 HETATM 5314 O O . HOH U 9 . ? 35.691 5.135 35.357 1.00 49.24 ? 822 HOH A O 1 HETATM 5315 O O . HOH U 9 . ? 14.459 22.797 49.641 1.00 26.73 ? 823 HOH A O 1 HETATM 5316 O O . HOH U 9 . ? 33.371 5.885 42.202 1.00 60.15 ? 824 HOH A O 1 HETATM 5317 O O . HOH U 9 . ? 41.368 28.811 26.336 1.00 53.96 ? 825 HOH A O 1 HETATM 5318 O O . HOH U 9 . ? 50.366 -2.262 12.845 1.00 42.74 ? 826 HOH A O 1 HETATM 5319 O O . HOH U 9 . ? 46.454 7.898 7.232 1.00 46.57 ? 827 HOH A O 1 HETATM 5320 O O . HOH U 9 . ? 7.605 19.220 59.198 1.00 48.05 ? 828 HOH A O 1 HETATM 5321 O O . HOH U 9 . ? 27.051 -2.504 60.613 1.00 40.46 ? 829 HOH A O 1 HETATM 5322 O O . HOH U 9 . ? 36.801 -10.224 -1.733 1.00 43.47 ? 830 HOH A O 1 HETATM 5323 O O . HOH U 9 . ? 3.169 16.685 68.417 1.00 51.26 ? 831 HOH A O 1 HETATM 5324 O O . HOH U 9 . ? 37.466 24.972 25.426 1.00 55.21 ? 832 HOH A O 1 HETATM 5325 O O . HOH U 9 . ? 23.906 24.651 65.030 1.00 43.13 ? 833 HOH A O 1 HETATM 5326 O O . HOH U 9 . ? 33.715 8.626 15.562 1.00 37.88 ? 834 HOH A O 1 HETATM 5327 O O . HOH U 9 . ? 4.676 27.786 56.678 1.00 64.23 ? 835 HOH A O 1 HETATM 5328 O O . HOH U 9 . ? 28.913 -4.563 61.713 1.00 49.49 ? 836 HOH A O 1 HETATM 5329 O O . HOH U 9 . ? 28.533 5.634 33.773 1.00 54.12 ? 837 HOH A O 1 HETATM 5330 O O . HOH U 9 . ? 38.280 -10.972 14.657 1.00 30.77 ? 838 HOH A O 1 HETATM 5331 O O . HOH U 9 . ? 25.677 -1.390 62.678 1.00 32.66 ? 839 HOH A O 1 HETATM 5332 O O . HOH U 9 . ? 24.635 0.186 58.620 1.00 61.22 ? 840 HOH A O 1 HETATM 5333 O O . HOH U 9 . ? 24.433 5.555 71.173 1.00 43.52 ? 841 HOH A O 1 HETATM 5334 O O . HOH U 9 . ? 38.866 22.994 44.321 1.00 55.24 ? 842 HOH A O 1 HETATM 5335 O O . HOH U 9 . ? 4.131 11.116 51.008 1.00 41.56 ? 843 HOH A O 1 HETATM 5336 O O . HOH U 9 . ? 15.830 18.612 65.659 1.00 24.67 ? 844 HOH A O 1 HETATM 5337 O O . HOH U 9 . ? 26.171 4.503 69.504 1.00 44.22 ? 845 HOH A O 1 HETATM 5338 O O . HOH U 9 . ? 6.638 20.713 56.802 1.00 40.00 ? 846 HOH A O 1 HETATM 5339 O O . HOH U 9 . ? 23.697 19.728 39.744 1.00 35.58 ? 847 HOH A O 1 HETATM 5340 O O . HOH U 9 . ? 24.265 23.887 57.478 1.00 36.62 ? 848 HOH A O 1 HETATM 5341 O O . HOH U 9 . ? 48.697 0.227 24.332 1.00 47.80 ? 849 HOH A O 1 HETATM 5342 O O . HOH U 9 . ? 36.605 5.255 7.668 1.00 49.40 ? 850 HOH A O 1 HETATM 5343 O O . HOH U 9 . ? 25.946 -1.442 -5.602 1.00 43.38 ? 851 HOH A O 1 HETATM 5344 O O . HOH U 9 . ? 34.220 -0.351 66.836 1.00 40.68 ? 852 HOH A O 1 HETATM 5345 O O . HOH U 9 . ? 45.553 -18.418 6.026 1.00 63.76 ? 853 HOH A O 1 HETATM 5346 O O . HOH U 9 . ? 20.548 9.549 69.441 1.00 37.22 ? 854 HOH A O 1 HETATM 5347 O O . HOH U 9 . ? 17.443 3.526 69.526 1.00 41.19 ? 855 HOH A O 1 HETATM 5348 O O . HOH U 9 . ? 13.462 27.697 33.019 1.00 57.55 ? 856 HOH A O 1 HETATM 5349 O O . HOH U 9 . ? 33.464 21.983 46.417 1.00 56.81 ? 857 HOH A O 1 HETATM 5350 O O . HOH U 9 . ? 19.659 10.358 26.458 1.00 67.27 ? 858 HOH A O 1 HETATM 5351 O O . HOH U 9 . ? 6.110 20.761 65.879 1.00 41.87 ? 859 HOH A O 1 HETATM 5352 O O . HOH U 9 . ? 29.393 3.392 31.998 1.00 53.34 ? 860 HOH A O 1 HETATM 5353 O O . HOH U 9 . ? 29.593 15.101 57.385 1.00 31.28 ? 861 HOH A O 1 HETATM 5354 O O . HOH U 9 . ? 36.701 -0.725 -9.359 1.00 53.41 ? 862 HOH A O 1 HETATM 5355 O O . HOH U 9 . ? 23.068 16.016 50.942 1.00 31.58 ? 863 HOH A O 1 HETATM 5356 O O . HOH U 9 . ? 45.276 -7.897 22.645 1.00 32.24 ? 864 HOH A O 1 HETATM 5357 O O . HOH U 9 . ? 41.957 -11.704 8.915 1.00 31.81 ? 865 HOH A O 1 HETATM 5358 O O . HOH U 9 . ? 9.537 14.655 34.405 1.00 40.82 ? 866 HOH A O 1 HETATM 5359 O O . HOH U 9 . ? 5.266 17.482 41.376 1.00 41.63 ? 867 HOH A O 1 HETATM 5360 O O . HOH U 9 . ? 32.602 19.762 66.949 1.00 27.43 ? 868 HOH A O 1 HETATM 5361 O O . HOH U 9 . ? 34.182 6.460 71.028 1.00 54.18 ? 869 HOH A O 1 HETATM 5362 O O . HOH U 9 . ? 40.156 10.473 6.693 1.00 54.13 ? 870 HOH A O 1 HETATM 5363 O O . HOH U 9 . ? 39.459 -9.730 22.219 1.00 39.41 ? 871 HOH A O 1 HETATM 5364 O O . HOH U 9 . ? 19.114 11.985 68.813 1.00 32.41 ? 872 HOH A O 1 HETATM 5365 O O . HOH U 9 . ? 31.672 3.776 13.479 1.00 32.78 ? 873 HOH A O 1 HETATM 5366 O O . HOH U 9 . ? 38.186 1.294 -6.027 1.00 40.78 ? 874 HOH A O 1 HETATM 5367 O O . HOH U 9 . ? 37.555 4.948 -4.575 1.00 64.21 ? 875 HOH A O 1 HETATM 5368 O O . HOH U 9 . ? 26.984 15.380 32.174 1.00 40.51 ? 876 HOH A O 1 HETATM 5369 O O . HOH U 9 . ? 25.470 1.374 18.143 1.00 36.14 ? 877 HOH A O 1 HETATM 5370 O O . HOH U 9 . ? 2.347 20.746 51.023 1.00 38.85 ? 878 HOH A O 1 HETATM 5371 O O . HOH U 9 . ? 33.604 6.083 25.656 1.00 44.14 ? 879 HOH A O 1 HETATM 5372 O O . HOH U 9 . ? 38.983 4.945 32.037 1.00 50.67 ? 880 HOH A O 1 HETATM 5373 O O . HOH U 9 . ? 38.331 1.230 61.360 1.00 55.01 ? 881 HOH A O 1 HETATM 5374 O O . HOH U 9 . ? 10.390 23.311 64.032 1.00 31.83 ? 882 HOH A O 1 HETATM 5375 O O . HOH U 9 . ? 8.403 25.917 59.395 1.00 63.47 ? 883 HOH A O 1 HETATM 5376 O O . HOH U 9 . ? 51.240 -8.801 4.014 1.00 42.54 ? 884 HOH A O 1 HETATM 5377 O O . HOH U 9 . ? 21.081 -0.791 22.694 1.00 55.06 ? 885 HOH A O 1 HETATM 5378 O O . HOH U 9 . ? 31.465 -12.152 27.933 1.00 51.84 ? 886 HOH A O 1 HETATM 5379 O O . HOH U 9 . ? 45.584 2.362 -3.598 1.00 49.80 ? 887 HOH A O 1 HETATM 5380 O O . HOH U 9 . ? 30.004 14.761 28.370 1.00 45.39 ? 888 HOH A O 1 HETATM 5381 O O . HOH U 9 . ? 40.616 5.369 2.864 1.00 46.91 ? 889 HOH A O 1 HETATM 5382 O O . HOH U 9 . ? 14.386 17.467 44.579 1.00 38.42 ? 890 HOH A O 1 HETATM 5383 O O . HOH U 9 . ? 11.086 29.908 53.535 1.00 61.52 ? 891 HOH A O 1 HETATM 5384 O O . HOH U 9 . ? 19.937 28.365 54.526 1.00 45.51 ? 892 HOH A O 1 HETATM 5385 O O . HOH U 9 . ? 12.341 26.598 61.903 1.00 47.17 ? 893 HOH A O 1 HETATM 5386 O O . HOH U 9 . ? 25.209 -8.203 66.425 1.00 58.94 ? 894 HOH A O 1 HETATM 5387 O O . HOH U 9 . ? 38.447 27.799 37.504 1.00 56.24 ? 895 HOH A O 1 HETATM 5388 O O . HOH U 9 . ? 32.869 24.537 44.536 1.00 62.32 ? 896 HOH A O 1 HETATM 5389 O O . HOH U 9 . ? 46.732 15.982 32.346 1.00 50.27 ? 897 HOH A O 1 HETATM 5390 O O . HOH U 9 . ? 11.514 21.136 70.425 1.00 48.16 ? 898 HOH A O 1 HETATM 5391 O O . HOH U 9 . ? 31.774 10.659 30.189 1.00 51.99 ? 899 HOH A O 1 HETATM 5392 O O . HOH U 9 . ? 48.138 2.208 22.468 1.00 49.09 ? 900 HOH A O 1 HETATM 5393 O O . HOH U 9 . ? 43.423 13.132 12.655 1.00 53.85 ? 901 HOH A O 1 HETATM 5394 O O . HOH U 9 . ? 28.160 13.847 30.305 1.00 48.95 ? 902 HOH A O 1 HETATM 5395 O O . HOH U 9 . ? 8.345 10.350 32.390 1.00 42.85 ? 903 HOH A O 1 HETATM 5396 O O . HOH U 9 . ? 45.329 12.291 15.108 1.00 47.67 ? 904 HOH A O 1 HETATM 5397 O O . HOH U 9 . ? 42.111 7.018 20.291 1.00 43.32 ? 905 HOH A O 1 HETATM 5398 O O . HOH U 9 . ? 5.401 10.697 44.103 1.00 41.85 ? 906 HOH A O 1 HETATM 5399 O O . HOH U 9 . ? 20.407 2.741 60.174 1.00 43.77 ? 907 HOH A O 1 HETATM 5400 O O . HOH U 9 . ? 10.453 25.785 65.650 1.00 63.14 ? 908 HOH A O 1 HETATM 5401 O O . HOH U 9 . ? 31.094 40.315 33.713 1.00 65.05 ? 909 HOH A O 1 HETATM 5402 O O . HOH U 9 . ? 9.984 10.155 68.015 1.00 60.69 ? 910 HOH A O 1 HETATM 5403 O O . HOH U 9 . ? 31.955 21.582 21.724 1.00 54.99 ? 911 HOH A O 1 HETATM 5404 O O . HOH U 9 . ? 25.289 22.050 68.097 1.00 56.02 ? 912 HOH A O 1 HETATM 5405 O O . HOH U 9 . ? 30.121 6.044 14.209 1.00 36.63 ? 913 HOH A O 1 HETATM 5406 O O . HOH U 9 . ? 39.189 -10.383 24.909 1.00 38.92 ? 914 HOH A O 1 HETATM 5407 O O . HOH U 9 . ? 21.866 5.494 71.032 1.00 47.90 ? 915 HOH A O 1 HETATM 5408 O O . HOH U 9 . ? 51.417 11.876 41.847 1.00 66.96 ? 916 HOH A O 1 HETATM 5409 O O . HOH U 9 . ? 28.584 4.100 35.605 1.00 53.35 ? 917 HOH A O 1 HETATM 5410 O O . HOH U 9 . ? 7.029 8.249 44.380 1.00 56.50 ? 918 HOH A O 1 HETATM 5411 O O . HOH U 9 . ? 6.495 28.040 58.521 1.00 61.88 ? 919 HOH A O 1 HETATM 5412 O O . HOH U 9 . ? 43.122 3.427 -3.892 1.00 60.08 ? 920 HOH A O 1 HETATM 5413 O O . HOH U 9 . ? 48.433 -5.496 26.351 1.00 47.64 ? 921 HOH A O 1 HETATM 5414 O O . HOH U 9 . ? 47.285 -5.922 23.659 1.00 40.20 ? 922 HOH A O 1 HETATM 5415 O O . HOH U 9 . ? 36.486 27.427 14.345 1.00 58.21 ? 923 HOH A O 1 HETATM 5416 O O . HOH U 9 . ? 43.625 -12.335 10.989 1.00 43.28 ? 924 HOH A O 1 HETATM 5417 O O . HOH U 9 . ? 27.136 27.283 50.343 1.00 46.45 ? 925 HOH A O 1 HETATM 5418 O O . HOH U 9 . ? 49.931 -1.970 23.331 1.00 52.59 ? 926 HOH A O 1 HETATM 5419 O O . HOH U 9 . ? 23.474 0.315 70.307 1.00 48.97 ? 927 HOH A O 1 HETATM 5420 O O . HOH U 9 . ? 12.345 28.481 57.854 1.00 55.99 ? 928 HOH A O 1 HETATM 5421 O O . HOH U 9 . ? 15.806 16.605 67.822 1.00 52.56 ? 929 HOH A O 1 HETATM 5422 O O . HOH U 9 . ? 21.602 26.559 56.434 1.00 30.94 ? 930 HOH A O 1 HETATM 5423 O O . HOH U 9 . ? 26.500 -4.793 -7.346 1.00 51.42 ? 931 HOH A O 1 HETATM 5424 O O . HOH U 9 . ? 25.296 2.186 70.630 1.00 44.80 ? 932 HOH A O 1 HETATM 5425 O O . HOH U 9 . ? 26.986 -10.079 66.899 1.00 64.17 ? 933 HOH A O 1 HETATM 5426 O O . HOH U 9 . ? 39.604 8.357 4.956 1.00 53.45 ? 934 HOH A O 1 HETATM 5427 O O . HOH U 9 . ? 43.161 6.710 2.313 1.00 49.05 ? 935 HOH A O 1 HETATM 5428 O O . HOH U 9 . ? 21.054 21.422 69.677 1.00 54.65 ? 936 HOH A O 1 HETATM 5429 O O . HOH U 9 . ? 36.011 -12.253 14.259 1.00 49.30 ? 937 HOH A O 1 HETATM 5430 O O . HOH U 9 . ? 18.683 20.652 70.420 1.00 54.11 ? 938 HOH A O 1 HETATM 5431 O O . HOH U 9 . ? 39.735 -12.304 9.944 1.00 50.85 ? 939 HOH A O 1 HETATM 5432 O O . HOH U 9 . ? 1.228 22.350 53.097 1.00 58.24 ? 940 HOH A O 1 HETATM 5433 O O . HOH U 9 . ? 1.287 21.466 48.607 1.00 52.13 ? 941 HOH A O 1 HETATM 5434 O O . HOH U 9 . ? 17.475 27.164 38.301 1.00 50.91 ? 942 HOH A O 1 HETATM 5435 O O . HOH U 9 . ? 30.859 10.840 45.727 1.00 50.95 ? 943 HOH A O 1 HETATM 5436 O O . HOH U 9 . ? 30.606 16.477 75.402 1.00 54.42 ? 944 HOH A O 1 HETATM 5437 O O . HOH U 9 . ? 18.742 5.579 71.084 1.00 43.78 ? 945 HOH A O 1 HETATM 5438 O O . HOH U 9 . ? 35.661 -13.290 11.475 1.00 46.76 ? 946 HOH A O 1 HETATM 5439 O O . HOH U 9 . ? 36.145 -11.856 27.616 1.00 46.76 ? 947 HOH A O 1 HETATM 5440 O O . HOH U 9 . ? 23.568 25.922 54.680 1.00 48.65 ? 948 HOH A O 1 HETATM 5441 O O . HOH U 9 . ? 28.407 17.781 49.540 1.00 40.26 ? 949 HOH A O 1 HETATM 5442 O O . HOH U 9 . ? 48.058 5.981 40.181 1.00 53.11 ? 950 HOH A O 1 HETATM 5443 O O . HOH U 9 . ? 6.407 8.667 48.835 1.00 49.91 ? 951 HOH A O 1 HETATM 5444 O O . HOH U 9 . ? 45.280 10.521 6.678 1.00 53.58 ? 952 HOH A O 1 HETATM 5445 O O . HOH U 9 . ? 42.867 2.074 36.551 1.00 48.34 ? 953 HOH A O 1 HETATM 5446 O O . HOH U 9 . ? 37.146 -12.577 25.151 1.00 37.21 ? 954 HOH A O 1 HETATM 5447 O O . HOH U 9 . ? 31.669 42.708 32.924 1.00 70.65 ? 955 HOH A O 1 HETATM 5448 O O . HOH V 9 . ? 21.891 4.607 49.329 1.00 55.30 ? 701 HOH B O 1 HETATM 5449 O O . HOH V 9 . ? 13.408 11.548 42.039 1.00 28.81 ? 702 HOH B O 1 HETATM 5450 O O . HOH V 9 . ? -5.026 18.856 22.097 1.00 62.56 ? 703 HOH B O 1 HETATM 5451 O O . HOH V 9 . ? 3.773 14.480 -9.371 1.00 43.17 ? 704 HOH B O 1 HETATM 5452 O O . HOH V 9 . ? 17.548 12.537 3.632 1.00 42.07 ? 705 HOH B O 1 HETATM 5453 O O . HOH V 9 . ? 26.927 2.204 -4.054 1.00 44.08 ? 706 HOH B O 1 HETATM 5454 O O . HOH V 9 . ? 4.628 8.199 9.059 1.00 29.12 ? 707 HOH B O 1 HETATM 5455 O O . HOH V 9 . ? -0.155 12.951 -1.775 1.00 29.72 ? 708 HOH B O 1 HETATM 5456 O O . HOH V 9 . ? 25.242 4.752 35.556 1.00 40.62 ? 709 HOH B O 1 HETATM 5457 O O . HOH V 9 . ? 33.537 -22.770 23.824 1.00 46.70 ? 710 HOH B O 1 HETATM 5458 O O . HOH V 9 . ? 33.980 7.935 -1.925 1.00 49.41 ? 711 HOH B O 1 HETATM 5459 O O . HOH V 9 . ? 13.619 -3.599 11.824 1.00 36.24 ? 712 HOH B O 1 HETATM 5460 O O . HOH V 9 . ? 10.046 7.639 48.344 1.00 31.08 ? 713 HOH B O 1 HETATM 5461 O O . HOH V 9 . ? 14.591 -4.272 5.153 1.00 47.46 ? 714 HOH B O 1 HETATM 5462 O O . HOH V 9 . ? 9.431 -7.702 5.642 1.00 34.37 ? 715 HOH B O 1 HETATM 5463 O O . HOH V 9 . ? 21.076 1.734 -8.316 1.00 45.88 ? 716 HOH B O 1 HETATM 5464 O O . HOH V 9 . ? 30.100 -13.051 6.984 1.00 33.26 ? 717 HOH B O 1 HETATM 5465 O O . HOH V 9 . ? 12.227 8.444 31.213 1.00 48.16 ? 718 HOH B O 1 HETATM 5466 O O . HOH V 9 . ? 21.943 1.296 56.311 1.00 49.99 ? 719 HOH B O 1 HETATM 5467 O O . HOH V 9 . ? 20.582 -4.331 39.215 1.00 44.60 ? 720 HOH B O 1 HETATM 5468 O O . HOH V 9 . ? 32.284 -25.637 21.759 1.00 40.40 ? 721 HOH B O 1 HETATM 5469 O O . HOH V 9 . ? 32.952 4.643 2.295 1.00 46.29 ? 722 HOH B O 1 HETATM 5470 O O . HOH V 9 . ? 25.739 9.942 46.264 1.00 46.95 ? 723 HOH B O 1 HETATM 5471 O O . HOH V 9 . ? 1.586 2.437 5.879 1.00 52.19 ? 724 HOH B O 1 HETATM 5472 O O . HOH V 9 . ? 22.167 26.145 51.572 1.00 41.95 ? 725 HOH B O 1 HETATM 5473 O O . HOH V 9 . ? -2.881 9.609 -0.385 1.00 44.85 ? 726 HOH B O 1 HETATM 5474 O O . HOH V 9 . ? 15.575 -17.432 3.117 1.00 47.23 ? 727 HOH B O 1 HETATM 5475 O O . HOH V 9 . ? 20.994 13.856 5.088 1.00 44.12 ? 728 HOH B O 1 HETATM 5476 O O . HOH V 9 . ? -6.044 17.609 13.123 1.00 49.58 ? 729 HOH B O 1 HETATM 5477 O O . HOH V 9 . ? 8.642 2.173 8.832 1.00 45.25 ? 730 HOH B O 1 HETATM 5478 O O . HOH V 9 . ? 13.644 3.742 -6.649 1.00 39.92 ? 731 HOH B O 1 HETATM 5479 O O . HOH V 9 . ? 15.780 -5.287 -4.971 1.00 44.49 ? 732 HOH B O 1 HETATM 5480 O O . HOH V 9 . ? 8.711 14.731 -2.017 1.00 33.20 ? 733 HOH B O 1 HETATM 5481 O O . HOH V 9 . ? 16.157 -17.003 7.478 1.00 27.35 ? 734 HOH B O 1 HETATM 5482 O O . HOH V 9 . ? 28.398 19.161 47.182 1.00 40.92 ? 735 HOH B O 1 HETATM 5483 O O . HOH V 9 . ? 0.998 -3.282 -0.406 1.00 49.31 ? 736 HOH B O 1 HETATM 5484 O O . HOH V 9 . ? 25.753 5.059 11.658 1.00 27.67 ? 737 HOH B O 1 HETATM 5485 O O . HOH V 9 . ? -5.547 29.361 11.501 1.00 55.76 ? 738 HOH B O 1 HETATM 5486 O O . HOH V 9 . ? 16.190 1.557 -7.293 1.00 39.65 ? 739 HOH B O 1 HETATM 5487 O O . HOH V 9 . ? 10.135 -5.493 12.579 1.00 39.41 ? 740 HOH B O 1 HETATM 5488 O O . HOH V 9 . ? 23.347 22.535 39.558 1.00 43.23 ? 741 HOH B O 1 HETATM 5489 O O . HOH V 9 . ? 5.848 -16.369 52.118 1.00 61.38 ? 742 HOH B O 1 HETATM 5490 O O . HOH V 9 . ? 18.356 -9.971 20.163 1.00 29.50 ? 743 HOH B O 1 HETATM 5491 O O . HOH V 9 . ? 2.863 8.192 23.172 1.00 58.00 ? 744 HOH B O 1 HETATM 5492 O O . HOH V 9 . ? 7.150 8.685 8.740 1.00 35.47 ? 745 HOH B O 1 HETATM 5493 O O . HOH V 9 . ? 12.830 8.050 -1.707 1.00 33.19 ? 746 HOH B O 1 HETATM 5494 O O . HOH V 9 . ? 18.458 13.573 -7.611 1.00 38.07 ? 747 HOH B O 1 HETATM 5495 O O . HOH V 9 . ? 23.867 -24.769 10.015 1.00 48.57 ? 748 HOH B O 1 HETATM 5496 O O . HOH V 9 . ? 4.577 20.529 -5.162 1.00 40.99 ? 749 HOH B O 1 HETATM 5497 O O . HOH V 9 . ? 21.121 25.659 42.712 1.00 41.41 ? 750 HOH B O 1 HETATM 5498 O O . HOH V 9 . ? 1.021 -13.255 45.324 1.00 56.25 ? 751 HOH B O 1 HETATM 5499 O O . HOH V 9 . ? 20.645 -7.761 19.864 1.00 24.36 ? 752 HOH B O 1 HETATM 5500 O O . HOH V 9 . ? 27.741 14.985 35.085 1.00 38.95 ? 753 HOH B O 1 HETATM 5501 O O . HOH V 9 . ? 8.821 5.539 46.005 1.00 36.94 ? 754 HOH B O 1 HETATM 5502 O O . HOH V 9 . ? 20.488 12.309 3.080 1.00 35.85 ? 755 HOH B O 1 HETATM 5503 O O . HOH V 9 . ? -8.343 10.387 14.484 1.00 41.76 ? 756 HOH B O 1 HETATM 5504 O O . HOH V 9 . ? 19.846 -5.496 -4.764 1.00 41.38 ? 757 HOH B O 1 HETATM 5505 O O . HOH V 9 . ? 14.935 -17.930 21.308 1.00 40.38 ? 758 HOH B O 1 HETATM 5506 O O . HOH V 9 . ? 23.511 -2.390 -3.934 1.00 36.36 ? 759 HOH B O 1 HETATM 5507 O O . HOH V 9 . ? 1.687 -4.465 54.485 1.00 51.86 ? 760 HOH B O 1 HETATM 5508 O O . HOH V 9 . ? 5.872 5.961 6.129 1.00 26.77 ? 761 HOH B O 1 HETATM 5509 O O . HOH V 9 . ? 12.009 -16.303 13.175 1.00 32.60 ? 762 HOH B O 1 HETATM 5510 O O . HOH V 9 . ? 28.279 -8.730 1.207 1.00 36.86 ? 763 HOH B O 1 HETATM 5511 O O . HOH V 9 . ? 12.174 8.160 2.711 1.00 33.15 ? 764 HOH B O 1 HETATM 5512 O O . HOH V 9 . ? -5.189 14.892 12.170 1.00 33.47 ? 765 HOH B O 1 HETATM 5513 O O . HOH V 9 . ? 10.906 -18.818 13.792 1.00 36.94 ? 766 HOH B O 1 HETATM 5514 O O . HOH V 9 . ? 12.674 2.675 8.681 1.00 47.89 ? 767 HOH B O 1 HETATM 5515 O O . HOH V 9 . ? 13.969 11.765 1.155 1.00 48.30 ? 768 HOH B O 1 HETATM 5516 O O . HOH V 9 . ? 21.211 13.185 -1.846 1.00 34.02 ? 769 HOH B O 1 HETATM 5517 O O . HOH V 9 . ? 23.402 -17.991 5.556 1.00 39.65 ? 770 HOH B O 1 HETATM 5518 O O . HOH V 9 . ? 21.367 -19.144 3.699 1.00 46.91 ? 771 HOH B O 1 HETATM 5519 O O . HOH V 9 . ? 1.532 12.768 -9.043 1.00 47.55 ? 772 HOH B O 1 HETATM 5520 O O . HOH V 9 . ? 24.597 -0.708 16.297 1.00 29.55 ? 773 HOH B O 1 HETATM 5521 O O . HOH V 9 . ? 12.729 -16.186 17.372 1.00 44.92 ? 774 HOH B O 1 HETATM 5522 O O . HOH V 9 . ? -0.445 -9.747 -6.045 1.00 34.69 ? 775 HOH B O 1 HETATM 5523 O O . HOH V 9 . ? 15.758 5.592 0.467 1.00 25.17 ? 776 HOH B O 1 HETATM 5524 O O . HOH V 9 . ? 0.038 10.950 20.595 1.00 40.66 ? 777 HOH B O 1 HETATM 5525 O O . HOH V 9 . ? 13.924 -6.289 11.882 1.00 28.02 ? 778 HOH B O 1 HETATM 5526 O O . HOH V 9 . ? 5.923 -15.472 6.949 1.00 30.35 ? 779 HOH B O 1 HETATM 5527 O O . HOH V 9 . ? 11.923 9.800 0.426 1.00 34.93 ? 780 HOH B O 1 HETATM 5528 O O . HOH V 9 . ? -0.811 23.221 6.536 1.00 42.28 ? 781 HOH B O 1 HETATM 5529 O O . HOH V 9 . ? -9.294 10.705 2.436 1.00 39.98 ? 782 HOH B O 1 HETATM 5530 O O . HOH V 9 . ? 13.621 -13.123 56.702 1.00 57.28 ? 783 HOH B O 1 HETATM 5531 O O . HOH V 9 . ? 26.682 18.657 40.374 1.00 33.04 ? 784 HOH B O 1 HETATM 5532 O O . HOH V 9 . ? 9.638 13.285 31.763 1.00 47.52 ? 785 HOH B O 1 HETATM 5533 O O . HOH V 9 . ? 27.875 -10.516 4.105 1.00 35.52 ? 786 HOH B O 1 HETATM 5534 O O . HOH V 9 . ? 0.393 5.825 -1.369 1.00 34.26 ? 787 HOH B O 1 HETATM 5535 O O . HOH V 9 . ? 6.307 1.679 51.609 1.00 42.84 ? 788 HOH B O 1 HETATM 5536 O O . HOH V 9 . ? 30.759 -14.172 9.657 1.00 29.12 ? 789 HOH B O 1 HETATM 5537 O O . HOH V 9 . ? 4.534 15.522 -6.736 1.00 36.96 ? 790 HOH B O 1 HETATM 5538 O O . HOH V 9 . ? 29.445 -13.240 25.956 1.00 42.66 ? 791 HOH B O 1 HETATM 5539 O O . HOH V 9 . ? 31.636 -14.087 19.989 1.00 50.98 ? 792 HOH B O 1 HETATM 5540 O O . HOH V 9 . ? 26.376 -27.697 15.785 1.00 53.61 ? 793 HOH B O 1 HETATM 5541 O O . HOH V 9 . ? -8.126 12.215 18.046 1.00 36.39 ? 794 HOH B O 1 HETATM 5542 O O . HOH V 9 . ? 7.977 18.548 -7.843 1.00 40.41 ? 795 HOH B O 1 HETATM 5543 O O . HOH V 9 . ? 2.887 3.734 7.728 1.00 47.79 ? 796 HOH B O 1 HETATM 5544 O O . HOH V 9 . ? -0.146 5.594 1.765 1.00 32.14 ? 797 HOH B O 1 HETATM 5545 O O . HOH V 9 . ? -3.891 24.005 12.207 1.00 45.23 ? 798 HOH B O 1 HETATM 5546 O O . HOH V 9 . ? 12.015 1.354 34.229 1.00 42.20 ? 799 HOH B O 1 HETATM 5547 O O . HOH V 9 . ? 13.515 -9.645 0.911 1.00 39.40 ? 800 HOH B O 1 HETATM 5548 O O . HOH V 9 . ? 19.024 -16.395 1.692 1.00 47.96 ? 801 HOH B O 1 HETATM 5549 O O . HOH V 9 . ? -6.947 8.397 4.815 1.00 38.96 ? 802 HOH B O 1 HETATM 5550 O O . HOH V 9 . ? -3.410 21.265 0.200 1.00 35.54 ? 803 HOH B O 1 HETATM 5551 O O . HOH V 9 . ? -1.639 14.272 -7.267 1.00 47.88 ? 804 HOH B O 1 HETATM 5552 O O . HOH V 9 . ? 9.955 22.121 -0.226 1.00 50.89 ? 805 HOH B O 1 HETATM 5553 O O . HOH V 9 . ? 16.110 10.355 35.626 1.00 41.45 ? 806 HOH B O 1 HETATM 5554 O O . HOH V 9 . ? 11.847 -9.127 40.929 1.00 52.17 ? 807 HOH B O 1 HETATM 5555 O O . HOH V 9 . ? 29.289 -25.789 18.394 1.00 51.94 ? 808 HOH B O 1 HETATM 5556 O O . HOH V 9 . ? 14.769 -24.708 17.950 1.00 39.03 ? 809 HOH B O 1 HETATM 5557 O O . HOH V 9 . ? 12.090 25.390 34.765 1.00 61.45 ? 810 HOH B O 1 HETATM 5558 O O . HOH V 9 . ? 12.033 -12.049 18.307 1.00 35.25 ? 811 HOH B O 1 HETATM 5559 O O . HOH V 9 . ? 10.587 19.163 -3.430 1.00 55.29 ? 812 HOH B O 1 HETATM 5560 O O . HOH V 9 . ? 26.853 -13.084 3.431 1.00 45.80 ? 813 HOH B O 1 HETATM 5561 O O . HOH V 9 . ? 16.025 -1.071 16.398 1.00 43.32 ? 814 HOH B O 1 HETATM 5562 O O . HOH V 9 . ? 18.438 -7.978 40.264 1.00 56.51 ? 815 HOH B O 1 HETATM 5563 O O . HOH V 9 . ? -5.342 -15.868 61.324 1.00 45.14 ? 816 HOH B O 1 HETATM 5564 O O . HOH V 9 . ? 20.726 -10.580 52.963 1.00 50.71 ? 817 HOH B O 1 HETATM 5565 O O . HOH V 9 . ? -2.511 13.270 1.505 1.00 30.71 ? 818 HOH B O 1 HETATM 5566 O O . HOH V 9 . ? 6.987 20.786 -3.828 1.00 38.70 ? 819 HOH B O 1 HETATM 5567 O O . HOH V 9 . ? 1.854 16.056 -6.451 1.00 40.61 ? 820 HOH B O 1 HETATM 5568 O O . HOH V 9 . ? 18.263 -21.104 22.790 1.00 38.42 ? 821 HOH B O 1 HETATM 5569 O O . HOH V 9 . ? 30.025 11.014 37.811 1.00 41.16 ? 822 HOH B O 1 HETATM 5570 O O . HOH V 9 . ? -6.395 7.595 2.395 1.00 44.62 ? 823 HOH B O 1 HETATM 5571 O O . HOH V 9 . ? 8.849 26.858 16.075 1.00 70.96 ? 824 HOH B O 1 HETATM 5572 O O . HOH V 9 . ? 25.631 20.306 51.460 1.00 36.17 ? 825 HOH B O 1 HETATM 5573 O O . HOH V 9 . ? 1.383 23.837 1.969 1.00 44.95 ? 826 HOH B O 1 HETATM 5574 O O . HOH V 9 . ? 28.378 10.711 44.841 1.00 39.95 ? 827 HOH B O 1 HETATM 5575 O O . HOH V 9 . ? 1.325 -4.394 49.425 1.00 50.65 ? 828 HOH B O 1 HETATM 5576 O O . HOH V 9 . ? 32.928 8.710 8.867 1.00 35.58 ? 829 HOH B O 1 HETATM 5577 O O . HOH V 9 . ? 17.480 -20.412 2.576 1.00 52.81 ? 830 HOH B O 1 HETATM 5578 O O . HOH V 9 . ? 20.721 -12.050 24.046 1.00 48.37 ? 831 HOH B O 1 HETATM 5579 O O . HOH V 9 . ? 33.484 -15.600 13.350 1.00 28.64 ? 832 HOH B O 1 HETATM 5580 O O . HOH V 9 . ? 4.628 8.498 29.260 1.00 58.81 ? 833 HOH B O 1 HETATM 5581 O O . HOH V 9 . ? 20.706 -3.545 -10.969 1.00 40.17 ? 834 HOH B O 1 HETATM 5582 O O . HOH V 9 . ? 14.618 12.904 -7.794 1.00 56.91 ? 835 HOH B O 1 HETATM 5583 O O . HOH V 9 . ? -3.155 7.820 8.469 1.00 36.57 ? 836 HOH B O 1 HETATM 5584 O O . HOH V 9 . ? 9.132 0.524 52.209 1.00 47.51 ? 837 HOH B O 1 HETATM 5585 O O . HOH V 9 . ? 18.247 0.440 17.398 1.00 33.12 ? 838 HOH B O 1 HETATM 5586 O O . HOH V 9 . ? 18.877 3.205 11.052 1.00 43.20 ? 839 HOH B O 1 HETATM 5587 O O . HOH V 9 . ? -7.597 18.732 1.105 1.00 40.58 ? 840 HOH B O 1 HETATM 5588 O O . HOH V 9 . ? 14.993 3.718 9.644 1.00 51.80 ? 841 HOH B O 1 HETATM 5589 O O . HOH V 9 . ? 22.474 -22.535 6.688 1.00 51.00 ? 842 HOH B O 1 HETATM 5590 O O . HOH V 9 . ? 6.316 10.883 30.241 1.00 43.30 ? 843 HOH B O 1 HETATM 5591 O O . HOH V 9 . ? 29.515 -16.914 9.685 1.00 44.12 ? 844 HOH B O 1 HETATM 5592 O O . HOH V 9 . ? 22.805 6.153 16.155 1.00 41.34 ? 845 HOH B O 1 HETATM 5593 O O . HOH V 9 . ? 3.592 9.318 18.840 1.00 47.96 ? 846 HOH B O 1 HETATM 5594 O O . HOH V 9 . ? 4.475 -5.770 1.675 1.00 40.16 ? 847 HOH B O 1 HETATM 5595 O O . HOH V 9 . ? 11.782 -16.008 1.905 1.00 51.80 ? 848 HOH B O 1 HETATM 5596 O O . HOH V 9 . ? 7.700 -19.003 9.297 1.00 52.18 ? 849 HOH B O 1 HETATM 5597 O O . HOH V 9 . ? 22.563 -5.182 20.145 1.00 31.08 ? 850 HOH B O 1 HETATM 5598 O O . HOH V 9 . ? -13.849 15.638 6.198 1.00 26.96 ? 851 HOH B O 1 HETATM 5599 O O . HOH V 9 . ? 21.408 -25.345 12.557 1.00 54.63 ? 852 HOH B O 1 HETATM 5600 O O . HOH V 9 . ? 7.858 9.612 19.942 1.00 54.24 ? 853 HOH B O 1 HETATM 5601 O O . HOH V 9 . ? 18.517 -5.927 38.709 1.00 48.42 ? 854 HOH B O 1 HETATM 5602 O O . HOH V 9 . ? 25.103 -23.656 7.703 1.00 44.03 ? 855 HOH B O 1 HETATM 5603 O O . HOH V 9 . ? 23.695 -13.741 1.311 1.00 40.22 ? 856 HOH B O 1 HETATM 5604 O O . HOH V 9 . ? 16.567 6.545 -6.965 1.00 48.84 ? 857 HOH B O 1 HETATM 5605 O O . HOH V 9 . ? 27.489 -17.309 6.776 1.00 33.35 ? 858 HOH B O 1 HETATM 5606 O O . HOH V 9 . ? -1.150 25.048 0.231 1.00 51.39 ? 859 HOH B O 1 HETATM 5607 O O . HOH V 9 . ? 10.388 20.960 3.234 1.00 49.56 ? 860 HOH B O 1 HETATM 5608 O O . HOH V 9 . ? 27.214 18.149 44.811 1.00 47.18 ? 861 HOH B O 1 HETATM 5609 O O . HOH V 9 . ? -6.746 9.529 20.759 1.00 40.63 ? 862 HOH B O 1 HETATM 5610 O O . HOH V 9 . ? -4.426 11.564 -2.511 1.00 57.41 ? 863 HOH B O 1 HETATM 5611 O O . HOH V 9 . ? 29.416 -27.918 6.546 1.00 49.35 ? 864 HOH B O 1 HETATM 5612 O O . HOH V 9 . ? 6.734 1.886 -4.362 1.00 45.26 ? 865 HOH B O 1 HETATM 5613 O O . HOH V 9 . ? 20.696 -8.378 -2.327 1.00 31.15 ? 866 HOH B O 1 HETATM 5614 O O . HOH V 9 . ? 8.997 -3.927 15.734 1.00 44.65 ? 867 HOH B O 1 HETATM 5615 O O . HOH V 9 . ? 25.501 -16.941 4.058 1.00 50.68 ? 868 HOH B O 1 HETATM 5616 O O . HOH V 9 . ? -5.780 18.391 7.379 1.00 32.68 ? 869 HOH B O 1 HETATM 5617 O O . HOH V 9 . ? 10.017 -3.847 18.483 1.00 39.23 ? 870 HOH B O 1 HETATM 5618 O O . HOH V 9 . ? 13.311 -1.955 54.028 1.00 38.41 ? 871 HOH B O 1 HETATM 5619 O O . HOH V 9 . ? 10.349 18.573 11.960 1.00 50.05 ? 872 HOH B O 1 HETATM 5620 O O . HOH V 9 . ? 9.234 -8.132 1.985 1.00 34.70 ? 873 HOH B O 1 HETATM 5621 O O . HOH V 9 . ? 15.700 14.551 41.355 1.00 39.49 ? 874 HOH B O 1 HETATM 5622 O O . HOH V 9 . ? 19.196 -24.452 8.719 1.00 41.24 ? 875 HOH B O 1 HETATM 5623 O O . HOH V 9 . ? 19.555 -13.675 1.316 1.00 45.42 ? 876 HOH B O 1 HETATM 5624 O O . HOH V 9 . ? 23.863 6.839 49.527 1.00 49.37 ? 877 HOH B O 1 HETATM 5625 O O . HOH V 9 . ? 28.453 12.093 35.604 1.00 51.15 ? 878 HOH B O 1 HETATM 5626 O O . HOH V 9 . ? 17.222 6.695 7.614 1.00 42.71 ? 879 HOH B O 1 HETATM 5627 O O . HOH V 9 . ? 7.324 13.025 13.625 1.00 36.39 ? 880 HOH B O 1 HETATM 5628 O O . HOH V 9 . ? 23.608 -7.524 -4.056 1.00 48.06 ? 881 HOH B O 1 HETATM 5629 O O . HOH V 9 . ? 21.819 -3.272 49.831 1.00 48.56 ? 882 HOH B O 1 HETATM 5630 O O . HOH V 9 . ? 10.094 22.292 8.647 1.00 48.84 ? 883 HOH B O 1 HETATM 5631 O O . HOH V 9 . ? 21.658 -2.109 -5.960 1.00 41.12 ? 884 HOH B O 1 HETATM 5632 O O . HOH V 9 . ? 9.327 2.560 32.898 1.00 51.29 ? 885 HOH B O 1 HETATM 5633 O O . HOH V 9 . ? 15.208 16.880 40.098 1.00 40.11 ? 886 HOH B O 1 HETATM 5634 O O . HOH V 9 . ? 15.259 1.004 10.145 1.00 45.64 ? 887 HOH B O 1 HETATM 5635 O O . HOH V 9 . ? 12.248 12.721 8.695 1.00 49.31 ? 888 HOH B O 1 HETATM 5636 O O . HOH V 9 . ? 17.188 17.952 0.353 1.00 51.38 ? 889 HOH B O 1 HETATM 5637 O O . HOH V 9 . ? -4.927 -18.602 60.185 1.00 49.10 ? 890 HOH B O 1 HETATM 5638 O O . HOH V 9 . ? 25.967 3.504 -6.188 1.00 41.84 ? 891 HOH B O 1 HETATM 5639 O O . HOH V 9 . ? 33.324 -0.770 -1.124 1.00 43.45 ? 892 HOH B O 1 HETATM 5640 O O . HOH V 9 . ? 10.011 7.401 53.497 1.00 46.82 ? 893 HOH B O 1 HETATM 5641 O O . HOH V 9 . ? 21.055 18.805 -2.738 1.00 56.62 ? 894 HOH B O 1 HETATM 5642 O O . HOH V 9 . ? 3.864 0.700 10.975 1.00 54.99 ? 895 HOH B O 1 HETATM 5643 O O . HOH V 9 . ? -6.762 7.359 16.366 1.00 45.05 ? 896 HOH B O 1 HETATM 5644 O O . HOH V 9 . ? 26.819 -26.539 19.433 1.00 51.30 ? 897 HOH B O 1 HETATM 5645 O O . HOH V 9 . ? 30.119 -12.962 23.148 1.00 41.73 ? 898 HOH B O 1 HETATM 5646 O O . HOH V 9 . ? 19.470 0.337 21.133 1.00 55.50 ? 899 HOH B O 1 HETATM 5647 O O . HOH V 9 . ? 29.490 -22.977 15.614 1.00 54.64 ? 900 HOH B O 1 HETATM 5648 O O . HOH V 9 . ? 14.497 -13.504 1.314 1.00 37.57 ? 901 HOH B O 1 HETATM 5649 O O . HOH V 9 . ? 24.858 15.715 48.484 1.00 34.52 ? 902 HOH B O 1 HETATM 5650 O O . HOH V 9 . ? 22.984 -1.992 -8.243 1.00 54.93 ? 903 HOH B O 1 HETATM 5651 O O . HOH V 9 . ? 14.896 -14.863 20.844 1.00 46.72 ? 904 HOH B O 1 HETATM 5652 O O . HOH V 9 . ? 17.368 4.811 9.654 1.00 39.75 ? 905 HOH B O 1 HETATM 5653 O O . HOH V 9 . ? 21.986 -12.595 -0.394 1.00 65.35 ? 906 HOH B O 1 HETATM 5654 O O . HOH V 9 . ? 20.335 -21.922 26.933 1.00 52.76 ? 907 HOH B O 1 HETATM 5655 O O . HOH V 9 . ? 6.060 -7.150 7.008 1.00 44.78 ? 908 HOH B O 1 HETATM 5656 O O . HOH V 9 . ? 26.942 12.473 10.011 1.00 44.51 ? 909 HOH B O 1 HETATM 5657 O O . HOH V 9 . ? -13.928 15.463 3.315 1.00 52.31 ? 910 HOH B O 1 HETATM 5658 O O . HOH V 9 . ? -3.015 13.343 -1.126 1.00 49.96 ? 911 HOH B O 1 HETATM 5659 O O . HOH V 9 . ? 28.975 5.111 -3.452 1.00 45.90 ? 912 HOH B O 1 HETATM 5660 O O . HOH V 9 . ? 9.428 20.569 -5.874 1.00 51.62 ? 913 HOH B O 1 HETATM 5661 O O . HOH V 9 . ? 34.196 2.739 0.838 1.00 55.23 ? 914 HOH B O 1 HETATM 5662 O O . HOH V 9 . ? -4.176 14.451 -6.050 1.00 50.02 ? 915 HOH B O 1 HETATM 5663 O O . HOH V 9 . ? 10.074 1.074 54.568 1.00 42.23 ? 916 HOH B O 1 HETATM 5664 O O . HOH V 9 . ? 6.634 10.492 15.136 1.00 50.24 ? 917 HOH B O 1 HETATM 5665 O O . HOH V 9 . ? 10.806 9.686 24.576 1.00 60.43 ? 918 HOH B O 1 HETATM 5666 O O . HOH V 9 . ? 23.210 0.628 51.093 1.00 55.41 ? 919 HOH B O 1 HETATM 5667 O O . HOH V 9 . ? 29.179 -9.618 -1.043 1.00 50.90 ? 920 HOH B O 1 HETATM 5668 O O . HOH V 9 . ? 15.815 -25.819 20.087 1.00 60.93 ? 921 HOH B O 1 HETATM 5669 O O . HOH V 9 . ? -4.447 8.615 27.141 1.00 52.07 ? 922 HOH B O 1 HETATM 5670 O O . HOH V 9 . ? 30.240 -9.719 4.563 1.00 49.82 ? 923 HOH B O 1 HETATM 5671 O O . HOH V 9 . ? 21.952 -5.462 -8.735 1.00 55.15 ? 924 HOH B O 1 HETATM 5672 O O . HOH V 9 . ? 16.706 11.181 -7.889 1.00 60.34 ? 925 HOH B O 1 HETATM 5673 O O . HOH V 9 . ? -9.649 12.058 0.064 1.00 50.69 ? 926 HOH B O 1 HETATM 5674 O O . HOH V 9 . ? 13.258 -7.813 -1.446 1.00 52.14 ? 927 HOH B O 1 HETATM 5675 O O . HOH V 9 . ? 5.276 18.286 -6.764 1.00 45.13 ? 928 HOH B O 1 HETATM 5676 O O . HOH V 9 . ? 27.481 -22.675 7.001 1.00 53.09 ? 929 HOH B O 1 HETATM 5677 O O . HOH V 9 . ? 3.679 22.660 -6.542 1.00 51.62 ? 930 HOH B O 1 HETATM 5678 O O . HOH V 9 . ? 15.705 -2.501 55.424 1.00 51.34 ? 931 HOH B O 1 HETATM 5679 O O . HOH V 9 . ? 8.359 6.838 30.754 1.00 62.50 ? 932 HOH B O 1 HETATM 5680 O O . HOH V 9 . ? 26.364 -6.847 -5.608 1.00 48.69 ? 933 HOH B O 1 HETATM 5681 O O . HOH V 9 . ? 12.134 7.533 -4.569 1.00 33.99 ? 934 HOH B O 1 HETATM 5682 O O . HOH V 9 . ? 11.592 19.827 27.670 1.00 53.11 ? 935 HOH B O 1 HETATM 5683 O O . HOH V 9 . ? 26.880 16.261 46.556 1.00 54.43 ? 936 HOH B O 1 HETATM 5684 O O . HOH V 9 . ? -7.316 19.617 5.316 1.00 46.74 ? 937 HOH B O 1 HETATM 5685 O O . HOH V 9 . ? 11.886 -7.789 20.676 1.00 41.62 ? 938 HOH B O 1 HETATM 5686 O O . HOH V 9 . ? 9.893 27.902 13.930 1.00 52.43 ? 939 HOH B O 1 HETATM 5687 O O . HOH V 9 . ? -5.419 23.713 4.751 1.00 52.15 ? 940 HOH B O 1 HETATM 5688 O O . HOH V 9 . ? 18.367 -23.795 23.179 1.00 59.59 ? 941 HOH B O 1 HETATM 5689 O O . HOH V 9 . ? -2.315 6.437 -0.001 1.00 49.30 ? 942 HOH B O 1 HETATM 5690 O O . HOH V 9 . ? -7.193 7.291 19.330 1.00 43.20 ? 943 HOH B O 1 HETATM 5691 O O . HOH V 9 . ? -3.591 24.068 -0.080 1.00 55.25 ? 944 HOH B O 1 HETATM 5692 O O . HOH V 9 . ? -5.785 21.106 1.742 1.00 49.60 ? 945 HOH B O 1 HETATM 5693 O O . HOH V 9 . ? 29.228 12.844 -1.028 1.00 67.51 ? 946 HOH B O 1 HETATM 5694 O O . HOH V 9 . ? -12.754 19.277 19.892 1.00 55.23 ? 947 HOH B O 1 HETATM 5695 O O . HOH V 9 . ? 6.245 6.469 29.615 1.00 65.45 ? 948 HOH B O 1 HETATM 5696 O O . HOH V 9 . ? 28.858 -15.000 5.341 1.00 52.81 ? 949 HOH B O 1 HETATM 5697 O O . HOH V 9 . ? -9.939 12.481 16.307 1.00 38.90 ? 950 HOH B O 1 HETATM 5698 O O . HOH V 9 . ? 10.278 3.383 -7.415 1.00 59.27 ? 951 HOH B O 1 HETATM 5699 O O . HOH V 9 . ? -2.986 24.745 6.684 1.00 41.57 ? 952 HOH B O 1 HETATM 5700 O O . HOH V 9 . ? -8.536 11.171 20.432 1.00 45.31 ? 953 HOH B O 1 HETATM 5701 O O . HOH V 9 . ? 33.375 -14.015 9.549 1.00 53.14 ? 954 HOH B O 1 HETATM 5702 O O . HOH V 9 . ? 22.007 12.961 0.843 1.00 37.40 ? 955 HOH B O 1 HETATM 5703 O O . HOH V 9 . ? 9.889 -1.453 19.205 1.00 53.34 ? 956 HOH B O 1 HETATM 5704 O O . HOH V 9 . ? 14.714 -10.660 23.278 1.00 57.07 ? 957 HOH B O 1 HETATM 5705 O O . HOH V 9 . ? 14.574 3.848 -9.326 1.00 45.04 ? 958 HOH B O 1 HETATM 5706 O O . HOH V 9 . ? 27.193 -13.634 0.868 1.00 65.30 ? 959 HOH B O 1 HETATM 5707 O O . HOH V 9 . ? 13.192 6.570 0.611 1.00 27.41 ? 960 HOH B O 1 HETATM 5708 O O . HOH V 9 . ? 0.487 -4.051 9.508 1.00 45.26 ? 961 HOH B O 1 HETATM 5709 O O . HOH V 9 . ? -12.585 12.130 0.159 1.00 49.76 ? 962 HOH B O 1 HETATM 5710 O O . HOH V 9 . ? 4.135 1.640 -5.612 1.00 62.38 ? 963 HOH B O 1 HETATM 5711 O O . HOH V 9 . ? 32.080 -14.318 29.376 1.00 47.88 ? 964 HOH B O 1 HETATM 5712 O O . HOH V 9 . ? 7.752 -5.772 14.280 1.00 53.97 ? 965 HOH B O 1 HETATM 5713 O O . HOH V 9 . ? 12.721 -11.984 22.266 1.00 57.18 ? 966 HOH B O 1 HETATM 5714 O O . HOH V 9 . ? -0.520 -20.602 55.089 1.00 61.15 ? 967 HOH B O 1 HETATM 5715 O O . HOH V 9 . ? 32.331 -11.960 4.805 1.00 61.72 ? 968 HOH B O 1 HETATM 5716 O O . HOH V 9 . ? 23.293 -4.831 -4.940 1.00 39.54 ? 969 HOH B O 1 HETATM 5717 O O . HOH V 9 . ? 21.649 -25.372 8.136 1.00 45.81 ? 970 HOH B O 1 HETATM 5718 O O . HOH V 9 . ? 11.726 5.559 -6.443 1.00 37.00 ? 971 HOH B O 1 HETATM 5719 O O . HOH V 9 . ? 11.234 -10.447 20.528 1.00 35.50 ? 972 HOH B O 1 HETATM 5720 O O . HOH V 9 . ? 26.243 11.942 48.087 1.00 50.64 ? 973 HOH B O 1 HETATM 5721 O O . HOH V 9 . ? 22.310 -9.139 -6.072 1.00 53.50 ? 974 HOH B O 1 HETATM 5722 O O . HOH V 9 . ? -4.202 -20.278 62.173 1.00 52.87 ? 975 HOH B O 1 HETATM 5723 O O . HOH V 9 . ? 9.546 -6.425 20.711 1.00 44.10 ? 976 HOH B O 1 HETATM 5724 O O . HOH V 9 . ? 10.839 -15.115 15.517 1.00 34.11 ? 977 HOH B O 1 HETATM 5725 O O . HOH V 9 . ? 28.892 14.793 47.025 1.00 60.18 ? 978 HOH B 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 . ASP A 4 ? 1.0968 1.1873 1.2553 -0.0524 -0.0902 0.0354 228 ASP A N 2 C CA . ASP A 4 ? 1.1097 1.1995 1.2735 -0.0525 -0.0923 0.0450 228 ASP A CA 3 C C . ASP A 4 ? 1.0638 1.1495 1.2082 -0.0536 -0.0883 0.0456 228 ASP A C 4 O O . ASP A 4 ? 1.1128 1.1961 1.2628 -0.0523 -0.0879 0.0482 228 ASP A O 5 C CB . ASP A 4 ? 1.1764 1.2717 1.3434 -0.0549 -0.0968 0.0565 228 ASP A CB 6 C CG . ASP A 4 ? 1.2507 1.3468 1.4213 -0.0554 -0.0985 0.0678 228 ASP A CG 7 O OD1 . ASP A 4 ? 1.2545 1.3475 1.4389 -0.0532 -0.0987 0.0679 228 ASP A OD1 8 O OD2 . ASP A 4 ? 1.2842 1.3846 1.4439 -0.0582 -0.0998 0.0767 228 ASP A OD2 9 N N . PHE A 5 ? 0.8997 0.9850 1.0228 -0.0558 -0.0854 0.0431 229 PHE A N 10 C CA . PHE A 5 ? 0.6817 0.7633 0.7858 -0.0567 -0.0815 0.0430 229 PHE A CA 11 C C . PHE A 5 ? 0.5947 0.6709 0.6944 -0.0547 -0.0774 0.0331 229 PHE A C 12 O O . PHE A 5 ? 0.5728 0.6487 0.6706 -0.0544 -0.0760 0.0253 229 PHE A O 13 C CB . PHE A 5 ? 0.6433 0.7264 0.7277 -0.0600 -0.0808 0.0441 229 PHE A CB 14 C CG . PHE A 5 ? 0.6040 0.6829 0.6687 -0.0606 -0.0764 0.0418 229 PHE A CG 15 C CD1 . PHE A 5 ? 0.5862 0.6661 0.6445 -0.0611 -0.0757 0.0487 229 PHE A CD1 16 C CD2 . PHE A 5 ? 0.6538 0.7283 0.7069 -0.0608 -0.0729 0.0332 229 PHE A CD2 17 C CE1 . PHE A 5 ? 0.5513 0.6277 0.5925 -0.0613 -0.0716 0.0460 229 PHE A CE1 18 C CE2 . PHE A 5 ? 0.6964 0.7667 0.7329 -0.0612 -0.0691 0.0311 229 PHE A CE2 19 C CZ . PHE A 5 ? 0.6126 0.6837 0.6433 -0.0613 -0.0684 0.0371 229 PHE A CZ 20 N N . THR A 6 ? 0.4732 0.5460 0.5716 -0.0535 -0.0755 0.0340 230 THR A N 21 C CA . THR A 6 ? 0.5206 0.5888 0.6147 -0.0515 -0.0720 0.0255 230 THR A CA 22 C C . THR A 6 ? 0.4647 0.5294 0.5384 -0.0527 -0.0681 0.0256 230 THR A C 23 O O . THR A 6 ? 0.3978 0.4622 0.4693 -0.0528 -0.0675 0.0314 230 THR A O 24 C CB . THR A 6 ? 0.5418 0.6086 0.6532 -0.0487 -0.0733 0.0250 230 THR A CB 25 O OG1 . THR A 6 ? 0.5612 0.6309 0.6930 -0.0474 -0.0772 0.0244 230 THR A OG1 26 C CG2 . THR A 6 ? 0.4985 0.5616 0.6052 -0.0467 -0.0703 0.0157 230 THR A CG2 27 N N . PRO A 7 ? 0.4763 0.5390 0.5362 -0.0536 -0.0654 0.0193 231 PRO A N 28 C CA . PRO A 7 ? 0.4743 0.5332 0.5157 -0.0546 -0.0618 0.0186 231 PRO A CA 29 C C . PRO A 7 ? 0.4037 0.4588 0.4451 -0.0523 -0.0593 0.0159 231 PRO A C 30 O O . PRO A 7 ? 0.3787 0.4337 0.4317 -0.0500 -0.0601 0.0120 231 PRO A O 31 C CB . PRO A 7 ? 0.5070 0.5649 0.5387 -0.0560 -0.0603 0.0125 231 PRO A CB 32 C CG . PRO A 7 ? 0.6013 0.6636 0.6456 -0.0560 -0.0630 0.0110 231 PRO A CG 33 C CD . PRO A 7 ? 0.5359 0.5999 0.5983 -0.0535 -0.0653 0.0125 231 PRO A CD 34 N N . PRO A 8 ? 0.4101 0.4624 0.4389 -0.0526 -0.0566 0.0176 232 PRO A N 35 C CA . PRO A 8 ? 0.3332 0.3819 0.3616 -0.0504 -0.0542 0.0151 232 PRO A CA 36 C C . PRO A 8 ? 0.3971 0.4428 0.4195 -0.0497 -0.0523 0.0072 232 PRO A C 37 O O . PRO A 8 ? 0.3765 0.4217 0.3899 -0.0514 -0.0515 0.0046 232 PRO A O 38 C CB . PRO A 8 ? 0.3977 0.4450 0.4132 -0.0512 -0.0516 0.0189 232 PRO A CB 39 C CG . PRO A 8 ? 0.3934 0.4419 0.3977 -0.0539 -0.0518 0.0196 232 PRO A CG 40 C CD . PRO A 8 ? 0.4332 0.4859 0.4477 -0.0549 -0.0556 0.0210 232 PRO A CD 41 N N . THR A 9 ? 0.3751 0.4194 0.4033 -0.0473 -0.0519 0.0038 233 THR A N 42 C CA . THR A 9 ? 0.3961 0.4381 0.4173 -0.0464 -0.0498 -0.0026 233 THR A CA 43 C C . THR A 9 ? 0.4310 0.4697 0.4485 -0.0449 -0.0479 -0.0020 233 THR A C 44 O O . THR A 9 ? 0.4051 0.4443 0.4300 -0.0440 -0.0487 0.0020 233 THR A O 45 C CB . THR A 9 ? 0.3822 0.4273 0.4144 -0.0446 -0.0515 -0.0084 233 THR A CB 46 O OG1 . THR A 9 ? 0.4759 0.5217 0.5222 -0.0425 -0.0536 -0.0079 233 THR A OG1 47 C CG2 . THR A 9 ? 0.4518 0.5009 0.4898 -0.0458 -0.0532 -0.0089 233 THR A CG2 48 N N . VAL A 10 ? 0.3232 0.3590 0.3301 -0.0446 -0.0455 -0.0054 234 VAL A N 49 C CA . VAL A 10 ? 0.3058 0.3383 0.3084 -0.0432 -0.0436 -0.0049 234 VAL A CA 50 C C . VAL A 10 ? 0.3812 0.4139 0.3853 -0.0412 -0.0437 -0.0101 234 VAL A C 51 O O . VAL A 10 ? 0.3609 0.3946 0.3605 -0.0417 -0.0433 -0.0139 234 VAL A O 52 C CB . VAL A 10 ? 0.3315 0.3600 0.3195 -0.0446 -0.0407 -0.0036 234 VAL A CB 53 C CG1 . VAL A 10 ? 0.3419 0.3673 0.3268 -0.0428 -0.0386 -0.0026 234 VAL A CG1 54 C CG2 . VAL A 10 ? 0.4080 0.4375 0.3928 -0.0467 -0.0409 0.0005 234 VAL A CG2 55 N N . LYS A 11 ? 0.3458 0.3783 0.3565 -0.0391 -0.0444 -0.0102 235 LYS A N 56 C CA . LYS A 11 ? 0.3039 0.3368 0.3144 -0.0372 -0.0447 -0.0149 235 LYS A CA 57 C C . LYS A 11 ? 0.3569 0.3875 0.3683 -0.0356 -0.0440 -0.0129 235 LYS A C 58 O O . LYS A 11 ? 0.3457 0.3761 0.3638 -0.0354 -0.0443 -0.0087 235 LYS A O 59 C CB . LYS A 11 ? 0.4130 0.4507 0.4356 -0.0358 -0.0478 -0.0200 235 LYS A CB 60 C CG . LYS A 11 ? 0.5458 0.5845 0.5842 -0.0347 -0.0506 -0.0186 235 LYS A CG 61 C CD . LYS A 11 ? 0.7313 0.7742 0.7818 -0.0329 -0.0538 -0.0255 235 LYS A CD 62 C CE . LYS A 11 ? 0.8439 0.8873 0.9128 -0.0320 -0.0571 -0.0241 235 LYS A CE 63 N NZ . LYS A 11 ? 0.8257 0.8729 0.9076 -0.0300 -0.0606 -0.0320 235 LYS A NZ 64 N N . ILE A 12 ? 0.2710 0.3006 0.2760 -0.0345 -0.0432 -0.0152 236 ILE A N 65 C CA . ILE A 12 ? 0.2824 0.3098 0.2881 -0.0329 -0.0425 -0.0133 236 ILE A CA 66 C C . ILE A 12 ? 0.3575 0.3880 0.3704 -0.0308 -0.0453 -0.0177 236 ILE A C 67 O O . ILE A 12 ? 0.3027 0.3357 0.3117 -0.0305 -0.0461 -0.0220 236 ILE A O 68 C CB . ILE A 12 ? 0.2816 0.3048 0.2744 -0.0332 -0.0395 -0.0117 236 ILE A CB 69 C CG1 . ILE A 12 ? 0.3304 0.3506 0.3156 -0.0353 -0.0370 -0.0087 236 ILE A CG1 70 C CG2 . ILE A 12 ? 0.2863 0.3077 0.2810 -0.0312 -0.0387 -0.0098 236 ILE A CG2 71 C CD1 . ILE A 12 ? 0.3346 0.3500 0.3083 -0.0356 -0.0343 -0.0081 236 ILE A CD1 72 N N . LEU A 13 ? 0.2613 0.2924 0.2852 -0.0295 -0.0470 -0.0165 237 LEU A N 73 C CA . LEU A 13 ? 0.2903 0.3241 0.3211 -0.0274 -0.0499 -0.0207 237 LEU A CA 74 C C . LEU A 13 ? 0.3439 0.3755 0.3727 -0.0262 -0.0487 -0.0176 237 LEU A C 75 O O . LEU A 13 ? 0.3123 0.3407 0.3375 -0.0267 -0.0457 -0.0124 237 LEU A O 76 C CB . LEU A 13 ? 0.3613 0.3979 0.4094 -0.0268 -0.0537 -0.0226 237 LEU A CB 77 C CG . LEU A 13 ? 0.5604 0.5992 0.6142 -0.0276 -0.0552 -0.0253 237 LEU A CG 78 C CD1 . LEU A 13 ? 0.6492 0.6900 0.7224 -0.0267 -0.0593 -0.0273 237 LEU A CD1 79 C CD2 . LEU A 13 ? 0.5500 0.5918 0.5955 -0.0273 -0.0552 -0.0317 237 LEU A CD2 80 N N . GLN A 14 ? 0.3225 0.3563 0.3537 -0.0244 -0.0512 -0.0210 238 GLN A N 81 C CA . GLN A 14 ? 0.2877 0.3197 0.3179 -0.0231 -0.0503 -0.0180 238 GLN A CA 82 C C . GLN A 14 ? 0.3461 0.3818 0.3875 -0.0213 -0.0545 -0.0212 238 GLN A C 83 O O . GLN A 14 ? 0.3427 0.3823 0.3886 -0.0208 -0.0581 -0.0273 238 GLN A O 84 C CB . GLN A 14 ? 0.3823 0.4123 0.3981 -0.0230 -0.0481 -0.0174 238 GLN A CB 85 C CG . GLN A 14 ? 0.3752 0.4096 0.3869 -0.0224 -0.0507 -0.0226 238 GLN A CG 86 C CD . GLN A 14 ? 0.4819 0.5146 0.4796 -0.0231 -0.0483 -0.0209 238 GLN A CD 87 O OE1 . GLN A 14 ? 0.4617 0.4904 0.4528 -0.0247 -0.0451 -0.0182 238 GLN A OE1 88 N NE2 . GLN A 14 ? 0.4261 0.4622 0.4199 -0.0219 -0.0502 -0.0223 238 GLN A NE2 89 N N . SER A 15 ? 0.3167 0.3513 0.3626 -0.0202 -0.0541 -0.0176 239 SER A N 90 C CA . SER A 15 ? 0.2704 0.3083 0.3263 -0.0186 -0.0582 -0.0202 239 SER A CA 91 C C . SER A 15 ? 0.2860 0.3276 0.3349 -0.0176 -0.0611 -0.0262 239 SER A C 92 O O . SER A 15 ? 0.3668 0.4072 0.4019 -0.0177 -0.0589 -0.0252 239 SER A O 93 C CB . SER A 15 ? 0.3128 0.3490 0.3699 -0.0174 -0.0563 -0.0150 239 SER A CB 94 O OG . SER A 15 ? 0.3869 0.4211 0.4490 -0.0182 -0.0529 -0.0092 239 SER A OG 95 N N . SER A 16 ? 0.3380 0.3843 0.3964 -0.0166 -0.0662 -0.0323 240 SER A N 96 C CA . SER A 16 ? 0.3635 0.4151 0.4146 -0.0156 -0.0691 -0.0383 240 SER A CA 97 C C . SER A 16 ? 0.3750 0.4288 0.4261 -0.0139 -0.0715 -0.0374 240 SER A C 98 O O . SER A 16 ? 0.3576 0.4094 0.4182 -0.0134 -0.0719 -0.0338 240 SER A O 99 C CB . SER A 16 ? 0.3714 0.4282 0.4316 -0.0151 -0.0735 -0.0471 240 SER A CB 100 O OG . SER A 16 ? 0.4005 0.4585 0.4775 -0.0143 -0.0780 -0.0493 240 SER A OG 101 N N . CYS A 17 ? 0.4009 0.4593 0.4414 -0.0131 -0.0730 -0.0402 241 CYS A N 102 C CA . CYS A 17 ? 0.3734 0.4355 0.4144 -0.0114 -0.0765 -0.0401 241 CYS A CA 103 C C . CYS A 17 ? 0.4172 0.4855 0.4704 -0.0104 -0.0828 -0.0482 241 CYS A C 104 O O . CYS A 17 ? 0.3868 0.4576 0.4440 -0.0107 -0.0844 -0.0549 241 CYS A O 105 C CB . CYS A 17 ? 0.3733 0.4388 0.3983 -0.0111 -0.0759 -0.0390 241 CYS A CB 106 S SG . CYS A 17 ? 0.4055 0.4631 0.4195 -0.0120 -0.0697 -0.0291 241 CYS A SG 107 N N . ASP A 18 ? 0.4126 0.4835 0.4726 -0.0090 -0.0868 -0.0482 242 ASP A N 108 C CA . ASP A 18 ? 0.4133 0.4896 0.4871 -0.0082 -0.0934 -0.0562 242 ASP A CA 109 C C . ASP A 18 ? 0.4079 0.4935 0.4735 -0.0070 -0.0975 -0.0650 242 ASP A C 110 O O . ASP A 18 ? 0.4314 0.5193 0.4809 -0.0072 -0.0948 -0.0642 242 ASP A O 111 C CB . ASP A 18 ? 0.4189 0.4951 0.5048 -0.0073 -0.0965 -0.0532 242 ASP A CB 112 C CG . ASP A 18 ? 0.5034 0.5833 0.5793 -0.0060 -0.0979 -0.0502 242 ASP A CG 113 O OD1 . ASP A 18 ? 0.4358 0.5152 0.5206 -0.0052 -0.0996 -0.0463 242 ASP A OD1 114 O OD2 . ASP A 18 ? 0.4267 0.5103 0.4869 -0.0057 -0.0972 -0.0510 242 ASP A OD2 115 N N . GLY A 19 ? 0.4316 0.5229 0.5084 -0.0060 -0.1042 -0.0733 243 GLY A N 116 C CA . GLY A 19 ? 0.5286 0.6302 0.5986 -0.0046 -0.1086 -0.0831 243 GLY A CA 117 C C . GLY A 19 ? 0.5655 0.6734 0.6187 -0.0037 -0.1089 -0.0798 243 GLY A C 118 O O . GLY A 19 ? 0.6157 0.7331 0.6587 -0.0028 -0.1110 -0.0862 243 GLY A O 119 N N . GLY A 20 ? 0.4531 0.5562 0.5039 -0.0039 -0.1068 -0.0697 244 GLY A N 120 C CA . GLY A 20 ? 0.4575 0.5655 0.4941 -0.0032 -0.1071 -0.0647 244 GLY A CA 121 C C . GLY A 20 ? 0.5013 0.6047 0.5234 -0.0043 -0.1002 -0.0563 244 GLY A C 122 O O . GLY A 20 ? 0.4795 0.5861 0.4898 -0.0040 -0.0999 -0.0508 244 GLY A O 123 N N . GLY A 21 ? 0.3937 0.4895 0.4171 -0.0058 -0.0951 -0.0550 245 GLY A N 124 C CA . GLY A 21 ? 0.3998 0.4899 0.4114 -0.0072 -0.0887 -0.0474 245 GLY A CA 125 C C . GLY A 21 ? 0.4262 0.5075 0.4400 -0.0073 -0.0855 -0.0378 245 GLY A C 126 O O . GLY A 21 ? 0.3982 0.4755 0.4021 -0.0080 -0.0813 -0.0310 245 GLY A O 127 N N . HIS A 22 ? 0.3731 0.4518 0.4009 -0.0065 -0.0876 -0.0374 246 HIS A N 128 C CA . HIS A 22 ? 0.3743 0.4455 0.4060 -0.0062 -0.0845 -0.0291 246 HIS A CA 129 C C . HIS A 22 ? 0.3840 0.4469 0.4202 -0.0076 -0.0790 -0.0267 246 HIS A C 130 O O . HIS A 22 ? 0.4066 0.4695 0.4499 -0.0084 -0.0796 -0.0313 246 HIS A O 131 C CB . HIS A 22 ? 0.3364 0.4100 0.3816 -0.0046 -0.0891 -0.0292 246 HIS A CB 132 C CG . HIS A 22 ? 0.4821 0.5648 0.5240 -0.0032 -0.0952 -0.0315 246 HIS A CG 133 N ND1 . HIS A 22 ? 0.5541 0.6440 0.6050 -0.0025 -0.1019 -0.0392 246 HIS A ND1 134 C CD2 . HIS A 22 ? 0.5544 0.6404 0.5852 -0.0024 -0.0959 -0.0271 246 HIS A CD2 135 C CE1 . HIS A 22 ? 0.5374 0.6353 0.5818 -0.0013 -0.1066 -0.0397 246 HIS A CE1 136 N NE2 . HIS A 22 ? 0.5578 0.6537 0.5900 -0.0012 -0.1030 -0.0318 246 HIS A NE2 137 N N . PHE A 23 ? 0.4128 0.4688 0.4452 -0.0076 -0.0741 -0.0195 247 PHE A N 138 C CA . PHE A 23 ? 0.3899 0.4388 0.4252 -0.0088 -0.0688 -0.0167 247 PHE A CA 139 C C . PHE A 23 ? 0.4235 0.4716 0.4743 -0.0080 -0.0692 -0.0151 247 PHE A C 140 O O . PHE A 23 ? 0.3856 0.4358 0.4428 -0.0064 -0.0716 -0.0133 247 PHE A O 141 C CB . PHE A 23 ? 0.3174 0.3598 0.3429 -0.0089 -0.0635 -0.0106 247 PHE A CB 142 C CG . PHE A 23 ? 0.4024 0.4444 0.4140 -0.0103 -0.0619 -0.0109 247 PHE A CG 143 C CD1 . PHE A 23 ? 0.4379 0.4817 0.4409 -0.0098 -0.0630 -0.0083 247 PHE A CD1 144 C CD2 . PHE A 23 ? 0.4452 0.4853 0.4530 -0.0124 -0.0593 -0.0131 247 PHE A CD2 145 C CE1 . PHE A 23 ? 0.5226 0.5666 0.5138 -0.0113 -0.0614 -0.0077 247 PHE A CE1 146 C CE2 . PHE A 23 ? 0.4140 0.4541 0.4100 -0.0138 -0.0578 -0.0131 247 PHE A CE2 147 C CZ . PHE A 23 ? 0.5223 0.5645 0.5101 -0.0134 -0.0587 -0.0103 247 PHE A CZ 148 N N . PRO A 24 ? 0.4110 0.4566 0.4685 -0.0093 -0.0669 -0.0152 248 PRO A N 149 C CA . PRO A 24 ? 0.3371 0.3822 0.4092 -0.0089 -0.0663 -0.0119 248 PRO A CA 150 C C . PRO A 24 ? 0.3784 0.4192 0.4474 -0.0079 -0.0609 -0.0053 248 PRO A C 151 O O . PRO A 24 ? 0.4125 0.4497 0.4686 -0.0078 -0.0578 -0.0037 248 PRO A O 152 C CB . PRO A 24 ? 0.3786 0.4225 0.4565 -0.0109 -0.0649 -0.0128 248 PRO A CB 153 C CG . PRO A 24 ? 0.3970 0.4387 0.4607 -0.0121 -0.0628 -0.0149 248 PRO A CG 154 C CD . PRO A 24 ? 0.3870 0.4313 0.4400 -0.0113 -0.0652 -0.0178 248 PRO A CD 155 N N . PRO A 25 ? 0.4422 0.4837 0.5237 -0.0071 -0.0597 -0.0017 249 PRO A N 156 C CA . PRO A 25 ? 0.4535 0.4922 0.5337 -0.0057 -0.0544 0.0038 249 PRO A CA 157 C C . PRO A 25 ? 0.4023 0.4361 0.4728 -0.0067 -0.0481 0.0059 249 PRO A C 158 O O . PRO A 25 ? 0.4060 0.4361 0.4688 -0.0055 -0.0441 0.0081 249 PRO A O 159 C CB . PRO A 25 ? 0.4842 0.5266 0.5819 -0.0051 -0.0548 0.0067 249 PRO A CB 160 C CG . PRO A 25 ? 0.5861 0.6314 0.6933 -0.0070 -0.0589 0.0035 249 PRO A CG 161 C CD . PRO A 25 ? 0.5205 0.5665 0.6195 -0.0073 -0.0638 -0.0028 249 PRO A CD 162 N N . THR A 26 ? 0.3734 0.4075 0.4451 -0.0088 -0.0475 0.0050 250 THR A N 163 C CA . THR A 26 ? 0.4455 0.4757 0.5068 -0.0102 -0.0425 0.0062 250 THR A CA 164 C C . THR A 26 ? 0.4021 0.4318 0.4574 -0.0124 -0.0446 0.0024 250 THR A C 165 O O . THR A 26 ? 0.3995 0.4324 0.4619 -0.0129 -0.0494 -0.0011 250 THR A O 166 C CB . THR A 26 ? 0.4352 0.4669 0.5035 -0.0106 -0.0383 0.0107 250 THR A CB 167 O OG1 . THR A 26 ? 0.4045 0.4398 0.4848 -0.0122 -0.0415 0.0107 250 THR A OG1 168 C CG2 . THR A 26 ? 0.4622 0.4957 0.5378 -0.0083 -0.0356 0.0145 250 THR A CG2 169 N N . ILE A 27 ? 0.3990 0.4249 0.4423 -0.0135 -0.0411 0.0025 251 ILE A N 170 C CA . ILE A 27 ? 0.3576 0.3831 0.3947 -0.0155 -0.0426 -0.0008 251 ILE A CA 171 C C . ILE A 27 ? 0.3610 0.3859 0.3983 -0.0173 -0.0397 0.0014 251 ILE A C 172 O O . ILE A 27 ? 0.3577 0.3801 0.3889 -0.0174 -0.0351 0.0043 251 ILE A O 173 C CB . ILE A 27 ? 0.3839 0.4060 0.4065 -0.0158 -0.0417 -0.0023 251 ILE A CB 174 C CG1 . ILE A 27 ? 0.4266 0.4502 0.4488 -0.0140 -0.0448 -0.0033 251 ILE A CG1 175 C CG2 . ILE A 27 ? 0.3886 0.4113 0.4056 -0.0180 -0.0429 -0.0057 251 ILE A CG2 176 C CD1 . ILE A 27 ? 0.4960 0.5254 0.5259 -0.0137 -0.0503 -0.0072 251 ILE A CD1 177 N N . GLN A 28 ? 0.2834 0.3109 0.3282 -0.0187 -0.0425 -0.0001 252 GLN A N 178 C CA . GLN A 28 ? 0.3128 0.3402 0.3575 -0.0206 -0.0404 0.0023 252 GLN A CA 179 C C . GLN A 28 ? 0.3449 0.3706 0.3795 -0.0221 -0.0409 -0.0011 252 GLN A C 180 O O . GLN A 28 ? 0.3242 0.3512 0.3589 -0.0221 -0.0443 -0.0058 252 GLN A O 181 C CB . GLN A 28 ? 0.3713 0.4025 0.4325 -0.0212 -0.0433 0.0038 252 GLN A CB 182 C CG . GLN A 28 ? 0.4538 0.4873 0.5252 -0.0205 -0.0414 0.0096 252 GLN A CG 183 C CD . GLN A 28 ? 0.7084 0.7429 0.7856 -0.0184 -0.0432 0.0084 252 GLN A CD 184 O OE1 . GLN A 28 ? 0.8550 0.8895 0.9307 -0.0170 -0.0398 0.0117 252 GLN A OE1 185 N NE2 . GLN A 28 ? 0.6404 0.6763 0.7245 -0.0180 -0.0486 0.0034 252 GLN A NE2 186 N N . LEU A 29 ? 0.2854 0.3089 0.3111 -0.0235 -0.0373 0.0011 253 LEU A N 187 C CA . LEU A 29 ? 0.2562 0.2788 0.2748 -0.0254 -0.0378 -0.0012 253 LEU A CA 188 C C . LEU A 29 ? 0.3606 0.3856 0.3861 -0.0269 -0.0379 0.0018 253 LEU A C 189 O O . LEU A 29 ? 0.3162 0.3420 0.3433 -0.0271 -0.0354 0.0067 253 LEU A O 190 C CB . LEU A 29 ? 0.2565 0.2749 0.2604 -0.0261 -0.0344 -0.0011 253 LEU A CB 191 C CG . LEU A 29 ? 0.2842 0.2997 0.2815 -0.0247 -0.0340 -0.0027 253 LEU A CG 192 C CD1 . LEU A 29 ? 0.3316 0.3423 0.3163 -0.0258 -0.0310 -0.0026 253 LEU A CD1 193 C CD2 . LEU A 29 ? 0.2927 0.3108 0.2913 -0.0245 -0.0377 -0.0066 253 LEU A CD2 194 N N . LEU A 30 A 0.2804 0.3070 0.3102 -0.0280 -0.0409 -0.0010 253 LEU A N 195 C CA . LEU A 30 A 0.3215 0.3505 0.3598 -0.0294 -0.0419 0.0023 253 LEU A CA 196 C C . LEU A 30 A 0.3269 0.3553 0.3573 -0.0312 -0.0417 0.0008 253 LEU A C 197 O O . LEU A 30 A 0.3013 0.3301 0.3309 -0.0313 -0.0437 -0.0044 253 LEU A O 198 C CB . LEU A 30 A 0.2708 0.3026 0.3261 -0.0287 -0.0463 0.0003 253 LEU A CB 199 C CG . LEU A 30 A 0.2987 0.3329 0.3662 -0.0300 -0.0483 0.0037 253 LEU A CG 200 C CD1 . LEU A 30 A 0.3520 0.3878 0.4236 -0.0307 -0.0459 0.0123 253 LEU A CD1 201 C CD2 . LEU A 30 A 0.3770 0.4131 0.4616 -0.0291 -0.0533 -0.0005 253 LEU A CD2 202 N N . CYS A 31 ? 0.2556 0.2837 0.2799 -0.0327 -0.0392 0.0051 254 CYS A N 203 C CA . CYS A 31 ? 0.2505 0.2785 0.2683 -0.0347 -0.0393 0.0042 254 CYS A CA 204 C C . CYS A 31 ? 0.3181 0.3497 0.3475 -0.0357 -0.0419 0.0073 254 CYS A C 205 O O . CYS A 31 ? 0.3030 0.3368 0.3377 -0.0361 -0.0413 0.0134 254 CYS A O 206 C CB . CYS A 31 ? 0.2723 0.2981 0.2761 -0.0358 -0.0357 0.0064 254 CYS A CB 207 S SG . CYS A 31 ? 0.3304 0.3559 0.3260 -0.0385 -0.0363 0.0046 254 CYS A SG 208 N N . LEU A 32 ? 0.2750 0.3076 0.3089 -0.0361 -0.0446 0.0033 255 LEU A N 209 C CA . LEU A 32 ? 0.2598 0.2954 0.3072 -0.0367 -0.0478 0.0053 255 LEU A CA 210 C C . LEU A 32 ? 0.2799 0.3165 0.3216 -0.0387 -0.0479 0.0058 255 LEU A C 211 O O . LEU A 32 ? 0.3017 0.3375 0.3361 -0.0391 -0.0476 0.0008 255 LEU A O 212 C CB . LEU A 32 ? 0.3145 0.3514 0.3744 -0.0351 -0.0514 -0.0009 255 LEU A CB 213 C CG . LEU A 32 ? 0.3261 0.3629 0.3955 -0.0332 -0.0527 -0.0022 255 LEU A CG 214 C CD1 . LEU A 32 ? 0.3949 0.4334 0.4742 -0.0316 -0.0564 -0.0103 255 LEU A CD1 215 C CD2 . LEU A 32 ? 0.3769 0.4150 0.4593 -0.0336 -0.0535 0.0053 255 LEU A CD2 216 N N . VAL A 33 ? 0.2465 0.2855 0.2922 -0.0401 -0.0483 0.0125 256 VAL A N 217 C CA . VAL A 33 ? 0.2771 0.3179 0.3205 -0.0420 -0.0494 0.0139 256 VAL A CA 218 C C . VAL A 33 ? 0.3717 0.4157 0.4340 -0.0419 -0.0534 0.0167 256 VAL A C 219 O O . VAL A 33 ? 0.3626 0.4093 0.4320 -0.0426 -0.0542 0.0245 256 VAL A O 220 C CB . VAL A 33 ? 0.3628 0.4048 0.3949 -0.0438 -0.0472 0.0200 256 VAL A CB 221 C CG1 . VAL A 33 ? 0.3333 0.3769 0.3607 -0.0460 -0.0485 0.0202 256 VAL A CG1 222 C CG2 . VAL A 33 ? 0.4225 0.4609 0.4394 -0.0434 -0.0432 0.0178 256 VAL A CG2 223 N N . SER A 34 ? 0.4208 0.4652 0.4920 -0.0409 -0.0560 0.0105 257 SER A N 224 C CA . SER A 34 ? 0.4588 0.5053 0.5510 -0.0400 -0.0600 0.0116 257 SER A CA 225 C C . SER A 34 ? 0.4259 0.4751 0.5253 -0.0409 -0.0627 0.0129 257 SER A C 226 O O . SER A 34 ? 0.5260 0.5757 0.6190 -0.0412 -0.0623 0.0075 257 SER A O 227 C CB . SER A 34 ? 0.5671 0.6127 0.6687 -0.0375 -0.0617 0.0032 257 SER A CB 228 O OG . SER A 34 ? 0.5452 0.5888 0.6447 -0.0365 -0.0604 0.0033 257 SER A OG 229 N N . GLY A 35 ? 0.4215 0.4730 0.5354 -0.0415 -0.0654 0.0205 258 GLY A N 230 C CA . GLY A 35 ? 0.3523 0.4067 0.4770 -0.0422 -0.0687 0.0227 258 GLY A CA 231 C C . GLY A 35 ? 0.3365 0.3927 0.4466 -0.0444 -0.0675 0.0249 258 GLY A C 232 O O . GLY A 35 ? 0.4174 0.4740 0.5239 -0.0444 -0.0674 0.0186 258 GLY A O 233 N N . TYR A 36 ? 0.3334 0.3915 0.4357 -0.0464 -0.0665 0.0337 259 TYR A N 234 C CA . TYR A 36 ? 0.3347 0.3949 0.4233 -0.0487 -0.0659 0.0356 259 TYR A CA 235 C C . TYR A 36 ? 0.3505 0.4158 0.4445 -0.0504 -0.0684 0.0468 259 TYR A C 236 O O . TYR A 36 ? 0.3582 0.4253 0.4627 -0.0501 -0.0694 0.0542 259 TYR A O 237 C CB . TYR A 36 ? 0.3306 0.3882 0.3969 -0.0495 -0.0615 0.0329 259 TYR A CB 238 C CG . TYR A 36 ? 0.3947 0.4528 0.4552 -0.0497 -0.0591 0.0391 259 TYR A CG 239 C CD1 . TYR A 36 ? 0.3252 0.3874 0.3768 -0.0516 -0.0587 0.0463 259 TYR A CD1 240 C CD2 . TYR A 36 ? 0.3530 0.4084 0.4173 -0.0478 -0.0574 0.0377 259 TYR A CD2 241 C CE1 . TYR A 36 ? 0.3787 0.4429 0.4251 -0.0515 -0.0560 0.0519 259 TYR A CE1 242 C CE2 . TYR A 36 ? 0.3356 0.3925 0.3956 -0.0478 -0.0550 0.0436 259 TYR A CE2 243 C CZ . TYR A 36 ? 0.3748 0.4362 0.4257 -0.0496 -0.0540 0.0507 259 TYR A CZ 244 O OH . TYR A 36 ? 0.3045 0.3687 0.3510 -0.0495 -0.0511 0.0565 259 TYR A OH 245 N N . THR A 37 ? 0.3352 0.4036 0.4228 -0.0523 -0.0697 0.0485 260 THR A N 246 C CA . THR A 37 ? 0.3603 0.4347 0.4507 -0.0542 -0.0723 0.0593 260 THR A CA 247 C C . THR A 37 ? 0.4263 0.5027 0.5027 -0.0552 -0.0692 0.0652 260 THR A C 248 O O . THR A 37 ? 0.3883 0.4625 0.4458 -0.0557 -0.0656 0.0605 260 THR A O 249 C CB . THR A 37 ? 0.3885 0.4660 0.4728 -0.0562 -0.0744 0.0589 260 THR A CB 250 O OG1 . THR A 37 ? 0.4870 0.5636 0.5857 -0.0550 -0.0770 0.0536 260 THR A OG1 251 C CG2 . THR A 37 ? 0.4482 0.5329 0.5342 -0.0582 -0.0775 0.0705 260 THR A CG2 252 N N . PRO A 38 ? 0.3511 0.4318 0.4377 -0.0553 -0.0704 0.0755 261 PRO A N 253 C CA . PRO A 38 ? 0.3962 0.4802 0.4709 -0.0559 -0.0669 0.0814 261 PRO A CA 254 C C . PRO A 38 ? 0.5124 0.6001 0.5653 -0.0578 -0.0653 0.0814 261 PRO A C 255 O O . PRO A 38 ? 0.4367 0.5275 0.4875 -0.0595 -0.0684 0.0826 261 PRO A O 256 C CB . PRO A 38 ? 0.4321 0.5223 0.5238 -0.0563 -0.0696 0.0944 261 PRO A CB 257 C CG . PRO A 38 ? 0.3403 0.4266 0.4555 -0.0548 -0.0735 0.0921 261 PRO A CG 258 C CD . PRO A 38 ? 0.3739 0.4565 0.4851 -0.0546 -0.0748 0.0820 261 PRO A CD 259 N N . GLY A 39 ? 0.4217 0.5089 0.4589 -0.0575 -0.0606 0.0796 262 GLY A N 260 C CA . GLY A 39 ? 0.4018 0.4923 0.4182 -0.0591 -0.0588 0.0783 262 GLY A CA 261 C C . GLY A 39 ? 0.4078 0.4968 0.4112 -0.0578 -0.0533 0.0752 262 GLY A C 262 O O . GLY A 39 ? 0.4300 0.5165 0.4412 -0.0560 -0.0511 0.0758 262 GLY A O 263 N N . THR A 40 ? 0.2936 0.3838 0.2778 -0.0587 -0.0512 0.0713 263 THR A N 264 C CA . THR A 40 ? 0.2423 0.3317 0.2144 -0.0572 -0.0458 0.0682 263 THR A CA 265 C C . THR A 40 ? 0.2878 0.3666 0.2599 -0.0555 -0.0437 0.0582 263 THR A C 266 O O . THR A 40 ? 0.3466 0.4196 0.3169 -0.0563 -0.0454 0.0513 263 THR A O 267 C CB . THR A 40 ? 0.3048 0.3988 0.2572 -0.0584 -0.0444 0.0658 263 THR A CB 268 O OG1 . THR A 40 ? 0.3964 0.4844 0.3412 -0.0597 -0.0461 0.0568 263 THR A OG1 269 C CG2 . THR A 40 ? 0.3123 0.4184 0.2641 -0.0603 -0.0470 0.0762 263 THR A CG2 270 N N . ILE A 41 ? 0.2863 0.3631 0.2612 -0.0534 -0.0401 0.0581 264 ILE A N 271 C CA . ILE A 41 ? 0.2431 0.3106 0.2183 -0.0517 -0.0384 0.0496 264 ILE A CA 272 C C . ILE A 41 ? 0.3538 0.4199 0.3212 -0.0496 -0.0333 0.0472 264 ILE A C 273 O O . ILE A 41 ? 0.2815 0.3538 0.2504 -0.0488 -0.0309 0.0534 264 ILE A O 274 C CB . ILE A 41 ? 0.2646 0.3290 0.2581 -0.0507 -0.0410 0.0502 264 ILE A CB 275 C CG1 . ILE A 41 ? 0.3920 0.4479 0.3838 -0.0495 -0.0403 0.0406 264 ILE A CG1 276 C CG2 . ILE A 41 ? 0.2700 0.3380 0.2754 -0.0493 -0.0398 0.0573 264 ILE A CG2 277 C CD1 . ILE A 41 ? 0.3432 0.3967 0.3481 -0.0494 -0.0440 0.0382 264 ILE A CD1 278 N N . GLN A 42 ? 0.3083 0.3667 0.2679 -0.0488 -0.0317 0.0385 265 GLN A N 279 C CA . GLN A 42 ? 0.3032 0.3591 0.2575 -0.0465 -0.0271 0.0354 265 GLN A CA 280 C C . GLN A 42 ? 0.3498 0.3969 0.3074 -0.0452 -0.0273 0.0288 265 GLN A C 281 O O . GLN A 42 ? 0.2698 0.3123 0.2251 -0.0465 -0.0295 0.0241 265 GLN A O 282 C CB . GLN A 42 ? 0.3180 0.3745 0.2555 -0.0467 -0.0245 0.0312 265 GLN A CB 283 C CG . GLN A 42 ? 0.3880 0.4416 0.3204 -0.0440 -0.0197 0.0272 265 GLN A CG 284 C CD . GLN A 42 ? 0.4400 0.4957 0.3572 -0.0439 -0.0169 0.0231 265 GLN A CD 285 O OE1 . GLN A 42 ? 0.3988 0.4582 0.3083 -0.0460 -0.0188 0.0229 265 GLN A OE1 286 N NE2 . GLN A 42 ? 0.5230 0.5766 0.4363 -0.0412 -0.0126 0.0193 265 GLN A NE2 287 N N . ILE A 43 ? 0.2704 0.3159 0.2337 -0.0429 -0.0251 0.0290 266 ILE A N 288 C CA . ILE A 43 ? 0.2793 0.3173 0.2443 -0.0415 -0.0252 0.0230 266 ILE A CA 289 C C . ILE A 43 ? 0.3155 0.3507 0.2725 -0.0394 -0.0209 0.0199 266 ILE A C 290 O O . ILE A 43 ? 0.3015 0.3407 0.2612 -0.0378 -0.0181 0.0235 266 ILE A O 291 C CB . ILE A 43 ? 0.3621 0.4003 0.3425 -0.0404 -0.0273 0.0250 266 ILE A CB 292 C CG1 . ILE A 43 ? 0.4191 0.4590 0.4085 -0.0421 -0.0317 0.0264 266 ILE A CG1 293 C CG2 . ILE A 43 ? 0.3508 0.3828 0.3316 -0.0387 -0.0271 0.0192 266 ILE A CG2 294 C CD1 . ILE A 43 ? 0.4524 0.4913 0.4567 -0.0408 -0.0343 0.0256 266 ILE A CD1 295 N N . THR A 44 ? 0.2726 0.3014 0.2210 -0.0395 -0.0205 0.0136 267 THR A N 296 C CA . THR A 44 ? 0.2976 0.3225 0.2394 -0.0374 -0.0169 0.0098 267 THR A CA 297 C C . THR A 44 ? 0.3385 0.3565 0.2834 -0.0364 -0.0178 0.0062 267 THR A C 298 O O . THR A 44 ? 0.3431 0.3584 0.2885 -0.0380 -0.0207 0.0042 267 THR A O 299 C CB . THR A 44 ? 0.3526 0.3756 0.2814 -0.0386 -0.0157 0.0054 267 THR A CB 300 O OG1 . THR A 44 ? 0.3759 0.4065 0.3001 -0.0393 -0.0147 0.0086 267 THR A OG1 301 C CG2 . THR A 44 ? 0.3841 0.4017 0.3079 -0.0363 -0.0125 0.0005 267 THR A CG2 302 N N . TRP A 45 ? 0.2913 0.3075 0.2386 -0.0337 -0.0155 0.0056 268 TRP A N 303 C CA . TRP A 45 ? 0.2814 0.2915 0.2305 -0.0326 -0.0165 0.0025 268 TRP A CA 304 C C . TRP A 45 ? 0.3217 0.3257 0.2623 -0.0319 -0.0143 -0.0018 268 TRP A C 305 O O . TRP A 45 ? 0.3093 0.3140 0.2461 -0.0304 -0.0110 -0.0026 268 TRP A O 306 C CB . TRP A 45 ? 0.3047 0.3166 0.2636 -0.0300 -0.0161 0.0048 268 TRP A CB 307 C CG . TRP A 45 ? 0.2777 0.2938 0.2473 -0.0306 -0.0192 0.0078 268 TRP A CG 308 C CD1 . TRP A 45 ? 0.3090 0.3312 0.2864 -0.0307 -0.0191 0.0128 268 TRP A CD1 309 C CD2 . TRP A 45 ? 0.2847 0.2996 0.2594 -0.0311 -0.0228 0.0060 268 TRP A CD2 310 N NE1 . TRP A 45 ? 0.3157 0.3395 0.3039 -0.0312 -0.0229 0.0137 268 TRP A NE1 311 C CE2 . TRP A 45 ? 0.3256 0.3453 0.3118 -0.0313 -0.0251 0.0090 268 TRP A CE2 312 C CE3 . TRP A 45 ? 0.2823 0.2931 0.2532 -0.0313 -0.0244 0.0021 268 TRP A CE3 313 C CZ2 . TRP A 45 ? 0.3660 0.3863 0.3599 -0.0314 -0.0289 0.0070 268 TRP A CZ2 314 C CZ3 . TRP A 45 ? 0.3424 0.3549 0.3197 -0.0316 -0.0278 0.0008 268 TRP A CZ3 315 C CH2 . TRP A 45 ? 0.3590 0.3762 0.3477 -0.0315 -0.0301 0.0025 268 TRP A CH2 316 N N . LEU A 46 ? 0.2862 0.2846 0.2243 -0.0329 -0.0161 -0.0046 269 LEU A N 317 C CA . LEU A 46 ? 0.2944 0.2860 0.2273 -0.0322 -0.0146 -0.0081 269 LEU A CA 318 C C . LEU A 46 ? 0.2937 0.2821 0.2317 -0.0302 -0.0152 -0.0076 269 LEU A C 319 O O . LEU A 46 ? 0.2977 0.2878 0.2402 -0.0307 -0.0178 -0.0061 269 LEU A O 320 C CB . LEU A 46 ? 0.3198 0.3075 0.2467 -0.0353 -0.0164 -0.0108 269 LEU A CB 321 C CG . LEU A 46 ? 0.3310 0.3222 0.2532 -0.0381 -0.0173 -0.0112 269 LEU A CG 322 C CD1 . LEU A 46 ? 0.3871 0.3736 0.3049 -0.0411 -0.0192 -0.0140 269 LEU A CD1 323 C CD2 . LEU A 46 ? 0.2825 0.2764 0.2000 -0.0370 -0.0145 -0.0123 269 LEU A CD2 324 N N . GLU A 47 ? 0.3221 0.3064 0.2597 -0.0278 -0.0130 -0.0091 270 GLU A N 325 C CA . GLU A 47 ? 0.3099 0.2905 0.2517 -0.0260 -0.0138 -0.0083 270 GLU A CA 326 C C . GLU A 47 ? 0.2922 0.2652 0.2295 -0.0269 -0.0137 -0.0109 270 GLU A C 327 O O . GLU A 47 ? 0.3365 0.3062 0.2711 -0.0259 -0.0113 -0.0140 270 GLU A O 328 C CB . GLU A 47 ? 0.3295 0.3117 0.2769 -0.0223 -0.0114 -0.0073 270 GLU A CB 329 C CG . GLU A 47 ? 0.3495 0.3281 0.3017 -0.0201 -0.0124 -0.0062 270 GLU A CG 330 C CD . GLU A 47 ? 0.4807 0.4618 0.4399 -0.0164 -0.0102 -0.0049 270 GLU A CD 331 O OE1 . GLU A 47 ? 0.6298 0.6120 0.5953 -0.0149 -0.0122 -0.0025 270 GLU A OE1 332 O OE2 . GLU A 47 ? 0.5139 0.4968 0.4724 -0.0150 -0.0066 -0.0062 270 GLU A OE2 333 N N . ASP A 48 ? 0.3307 0.3015 0.2676 -0.0288 -0.0163 -0.0098 271 ASP A N 334 C CA . ASP A 48 ? 0.3832 0.3470 0.3171 -0.0304 -0.0167 -0.0113 271 ASP A CA 335 C C . ASP A 48 ? 0.3599 0.3214 0.2882 -0.0322 -0.0156 -0.0154 271 ASP A C 336 O O . ASP A 48 ? 0.3611 0.3165 0.2885 -0.0315 -0.0144 -0.0186 271 ASP A O 337 C CB . ASP A 48 ? 0.3647 0.3231 0.3028 -0.0276 -0.0160 -0.0107 271 ASP A CB 338 C CG . ASP A 48 ? 0.4806 0.4409 0.4230 -0.0268 -0.0182 -0.0062 271 ASP A CG 339 O OD1 . ASP A 48 ? 0.4051 0.3697 0.3462 -0.0289 -0.0204 -0.0045 271 ASP A OD1 340 O OD2 . ASP A 48 ? 0.4607 0.4186 0.4078 -0.0239 -0.0179 -0.0047 271 ASP A OD2 341 N N . GLY A 49 ? 0.2747 0.2414 0.1999 -0.0344 -0.0163 -0.0156 272 GLY A N 342 C CA . GLY A 49 ? 0.3423 0.3082 0.2617 -0.0366 -0.0161 -0.0192 272 GLY A CA 343 C C . GLY A 49 ? 0.3396 0.3077 0.2560 -0.0346 -0.0132 -0.0220 272 GLY A C 344 O O . GLY A 49 ? 0.3744 0.3432 0.2850 -0.0363 -0.0133 -0.0252 272 GLY A O 345 N N . GLN A 50 ? 0.3294 0.2994 0.2494 -0.0309 -0.0108 -0.0209 273 GLN A N 346 C CA . GLN A 50 ? 0.3649 0.3385 0.2822 -0.0287 -0.0074 -0.0232 273 GLN A CA 347 C C . GLN A 50 ? 0.3710 0.3538 0.2903 -0.0282 -0.0066 -0.0188 273 GLN A C 348 O O . GLN A 50 ? 0.3047 0.2897 0.2307 -0.0275 -0.0077 -0.0146 273 GLN A O 349 C CB . GLN A 50 ? 0.3954 0.3652 0.3162 -0.0247 -0.0046 -0.0254 273 GLN A CB 350 C CG . GLN A 50 ? 0.3763 0.3365 0.2970 -0.0248 -0.0052 -0.0298 273 GLN A CG 351 C CD . GLN A 50 ? 0.4572 0.4138 0.3832 -0.0205 -0.0025 -0.0316 273 GLN A CD 352 O OE1 . GLN A 50 ? 0.5107 0.4629 0.4433 -0.0194 -0.0038 -0.0288 273 GLN A OE1 353 N NE2 . GLN A 50 ? 0.4002 0.3594 0.3238 -0.0179 0.0011 -0.0362 273 GLN A NE2 354 N N . VAL A 51 ? 0.3499 0.3385 0.2639 -0.0285 -0.0050 -0.0197 274 VAL A N 355 C CA . VAL A 51 ? 0.3405 0.3383 0.2571 -0.0283 -0.0042 -0.0146 274 VAL A CA 356 C C . VAL A 51 ? 0.3950 0.3956 0.3188 -0.0247 -0.0013 -0.0119 274 VAL A C 357 O O . VAL A 51 ? 0.3058 0.3052 0.2286 -0.0218 0.0021 -0.0151 274 VAL A O 358 C CB . VAL A 51 ? 0.3294 0.3337 0.2380 -0.0294 -0.0029 -0.0155 274 VAL A CB 359 C CG1 . VAL A 51 ? 0.4131 0.4276 0.3257 -0.0289 -0.0017 -0.0089 274 VAL A CG1 360 C CG2 . VAL A 51 ? 0.3472 0.3497 0.2502 -0.0333 -0.0065 -0.0173 274 VAL A CG2 361 N N . MET A 52 ? 0.3662 0.3704 0.2983 -0.0248 -0.0029 -0.0066 275 MET A N 362 C CA . MET A 52 ? 0.3087 0.3161 0.2494 -0.0217 -0.0008 -0.0035 275 MET A CA 363 C C . MET A 52 ? 0.3669 0.3838 0.3081 -0.0209 0.0025 0.0000 275 MET A C 364 O O . MET A 52 ? 0.3437 0.3657 0.2818 -0.0233 0.0016 0.0026 275 MET A O 365 C CB . MET A 52 ? 0.3029 0.3101 0.2532 -0.0221 -0.0043 0.0000 275 MET A CB 366 C CG . MET A 52 ? 0.2631 0.2627 0.2126 -0.0227 -0.0073 -0.0026 275 MET A CG 367 S SD . MET A 52 ? 0.3108 0.3120 0.2706 -0.0228 -0.0114 0.0004 275 MET A SD 368 C CE . MET A 52 ? 0.2853 0.2878 0.2537 -0.0188 -0.0094 0.0021 275 MET A CE 369 N N . ASP A 53 ? 0.4275 0.4473 0.3730 -0.0176 0.0064 0.0007 276 ASP A N 370 C CA . ASP A 53 ? 0.4243 0.4544 0.3708 -0.0166 0.0103 0.0047 276 ASP A CA 371 C C . ASP A 53 ? 0.4334 0.4702 0.3866 -0.0190 0.0080 0.0122 276 ASP A C 372 O O . ASP A 53 ? 0.3517 0.3864 0.3145 -0.0197 0.0044 0.0149 276 ASP A O 373 C CB . ASP A 53 ? 0.4200 0.4523 0.3741 -0.0127 0.0142 0.0053 276 ASP A CB 374 C CG . ASP A 53 ? 0.6156 0.6425 0.5642 -0.0098 0.0172 -0.0020 276 ASP A CG 375 O OD1 . ASP A 53 ? 0.5790 0.6031 0.5169 -0.0107 0.0175 -0.0075 276 ASP A OD1 376 O OD2 . ASP A 53 ? 0.6330 0.6584 0.5890 -0.0066 0.0189 -0.0024 276 ASP A OD2 377 N N . VAL A 54 ? 0.4316 0.4770 0.3803 -0.0201 0.0099 0.0156 277 VAL A N 378 C CA . VAL A 54 ? 0.4066 0.4589 0.3620 -0.0225 0.0077 0.0235 277 VAL A CA 379 C C . VAL A 54 ? 0.4481 0.5039 0.4194 -0.0215 0.0075 0.0298 277 VAL A C 380 O O . VAL A 54 ? 0.4033 0.4605 0.3841 -0.0235 0.0037 0.0348 277 VAL A O 381 C CB . VAL A 54 ? 0.5867 0.6494 0.5343 -0.0234 0.0105 0.0270 277 VAL A CB 382 C CG1 . VAL A 54 ? 0.5858 0.6540 0.5285 -0.0202 0.0169 0.0250 277 VAL A CG1 383 C CG2 . VAL A 54 ? 0.6858 0.7568 0.6434 -0.0253 0.0089 0.0372 277 VAL A CG2 384 N N . ASP A 55 ? 0.4316 0.4889 0.4069 -0.0183 0.0113 0.0294 278 ASP A N 385 C CA . ASP A 55 ? 0.4093 0.4708 0.4005 -0.0175 0.0112 0.0355 278 ASP A CA 386 C C . ASP A 55 ? 0.4382 0.4919 0.4390 -0.0176 0.0061 0.0336 278 ASP A C 387 O O . ASP A 55 ? 0.3963 0.4527 0.4113 -0.0174 0.0045 0.0381 278 ASP A O 388 C CB . ASP A 55 ? 0.5030 0.5702 0.4964 -0.0141 0.0172 0.0362 278 ASP A CB 389 C CG . ASP A 55 ? 0.5695 0.6288 0.5597 -0.0110 0.0184 0.0285 278 ASP A CG 390 O OD1 . ASP A 55 ? 0.5963 0.6480 0.5754 -0.0113 0.0173 0.0217 278 ASP A OD1 391 O OD2 . ASP A 55 ? 0.6840 0.7448 0.6838 -0.0084 0.0203 0.0297 278 ASP A OD2 392 N N . LEU A 56 ? 0.3171 0.3618 0.3102 -0.0181 0.0033 0.0271 279 LEU A N 393 C CA . LEU A 56 ? 0.3626 0.4009 0.3625 -0.0180 -0.0014 0.0248 279 LEU A CA 394 C C . LEU A 56 ? 0.3534 0.3915 0.3592 -0.0208 -0.0066 0.0266 279 LEU A C 395 O O . LEU A 56 ? 0.3621 0.3971 0.3753 -0.0208 -0.0106 0.0250 279 LEU A O 396 C CB . LEU A 56 ? 0.3641 0.3936 0.3541 -0.0172 -0.0018 0.0178 279 LEU A CB 397 C CG . LEU A 56 ? 0.3880 0.4164 0.3749 -0.0140 0.0028 0.0152 279 LEU A CG 398 C CD1 . LEU A 56 ? 0.3819 0.4011 0.3603 -0.0135 0.0019 0.0090 279 LEU A CD1 399 C CD2 . LEU A 56 ? 0.3847 0.4159 0.3846 -0.0115 0.0032 0.0182 279 LEU A CD2 400 N N . SER A 57 ? 0.3131 0.3549 0.3158 -0.0232 -0.0069 0.0295 280 SER A N 401 C CA . SER A 57 ? 0.3972 0.4387 0.4061 -0.0256 -0.0118 0.0308 280 SER A CA 402 C C . SER A 57 ? 0.4723 0.5216 0.4870 -0.0273 -0.0115 0.0383 280 SER A C 403 O O . SER A 57 ? 0.4808 0.5357 0.4892 -0.0272 -0.0075 0.0417 280 SER A O 404 C CB . SER A 57 ? 0.2965 0.3322 0.2945 -0.0272 -0.0140 0.0253 280 SER A CB 405 O OG . SER A 57 ? 0.3011 0.3387 0.2876 -0.0284 -0.0117 0.0256 280 SER A OG 406 N N . THR A 58 ? 0.4148 0.5619 0.6610 -0.0220 0.0330 0.0632 281 THR A N 407 C CA . THR A 58 ? 0.5222 0.6595 0.7596 -0.0265 0.0539 0.0769 281 THR A CA 408 C C . THR A 58 ? 0.4817 0.5829 0.6793 -0.0315 0.0424 0.0724 281 THR A C 409 O O . THR A 58 ? 0.4523 0.5442 0.6551 -0.0415 0.0209 0.0634 281 THR A O 410 C CB . THR A 58 ? 0.6510 0.8084 0.9512 -0.0446 0.0635 0.0909 281 THR A CB 411 O OG1 . THR A 58 ? 0.7854 0.9279 1.0808 -0.0501 0.0839 0.1110 281 THR A OG1 412 C CG2 . THR A 58 ? 0.7379 0.8913 1.0715 -0.0611 0.0323 0.0763 281 THR A CG2 413 N N . ALA A 59 ? 0.3946 0.4788 0.5492 -0.0192 0.0550 0.0763 282 ALA A N 414 C CA . ALA A 59 ? 0.4012 0.4538 0.5170 -0.0201 0.0453 0.0716 282 ALA A CA 415 C C . ALA A 59 ? 0.4992 0.5361 0.6105 -0.0250 0.0611 0.0877 282 ALA A C 416 O O . ALA A 59 ? 0.4435 0.4939 0.5626 -0.0186 0.0860 0.1062 282 ALA A O 417 C CB . ALA A 59 ? 0.4526 0.4958 0.5289 -0.0010 0.0415 0.0614 282 ALA A CB 418 N N . SER A 60 ? 0.3479 0.3580 0.4473 -0.0334 0.0477 0.0832 283 SER A N 419 C CA . SER A 60 ? 0.4119 0.3996 0.5101 -0.0378 0.0592 0.0997 283 SER A CA 420 C C . SER A 60 ? 0.3475 0.3041 0.4054 -0.0332 0.0434 0.0875 283 SER A C 421 O O . SER A 60 ? 0.3765 0.3332 0.4232 -0.0325 0.0225 0.0681 283 SER A O 422 C CB . SER A 60 ? 0.4657 0.4548 0.6297 -0.0600 0.0559 0.1086 283 SER A CB 423 O OG . SER A 60 ? 0.4300 0.4145 0.6082 -0.0681 0.0239 0.0833 283 SER A OG 424 N N . THR A 61 ? 0.4384 0.3716 0.4749 -0.0275 0.0551 0.1021 284 THR A N 425 C CA . THR A 61 ? 0.4283 0.3329 0.4257 -0.0195 0.0416 0.0912 284 THR A CA 426 C C . THR A 61 ? 0.4357 0.3085 0.4484 -0.0271 0.0436 0.1067 284 THR A C 427 O O . THR A 61 ? 0.4634 0.3351 0.4966 -0.0298 0.0667 0.1368 284 THR A O 428 C CB . THR A 61 ? 0.4790 0.3832 0.4232 0.0044 0.0495 0.0898 284 THR A CB 429 O OG1 . THR A 61 ? 0.4177 0.3453 0.3593 0.0104 0.0418 0.0733 284 THR A OG1 430 C CG2 . THR A 61 ? 0.4379 0.3151 0.3475 0.0135 0.0363 0.0802 284 THR A CG2 431 N N . THR A 62 ? 0.4433 0.2918 0.4492 -0.0284 0.0199 0.0884 285 THR A N 432 C CA . THR A 62 ? 0.4772 0.2872 0.4979 -0.0328 0.0152 0.0986 285 THR A CA 433 C C . THR A 62 ? 0.5470 0.3343 0.5145 -0.0143 0.0032 0.0842 285 THR A C 434 O O . THR A 62 ? 0.5187 0.3234 0.4523 -0.0027 -0.0061 0.0630 285 THR A O 435 C CB . THR A 62 ? 0.6127 0.4111 0.6924 -0.0504 -0.0109 0.0829 285 THR A CB 436 O OG1 . THR A 62 ? 0.5468 0.3561 0.6028 -0.0411 -0.0380 0.0465 285 THR A OG1 437 C CG2 . THR A 62 ? 0.5847 0.4084 0.7293 -0.0698 -0.0017 0.0964 285 THR A CG2 438 N N . GLN A 63 ? 0.5430 0.2926 0.5105 -0.0115 0.0036 0.0985 286 GLN A N 439 C CA . GLN A 63 ? 0.6220 0.3486 0.5426 0.0079 -0.0087 0.0855 286 GLN A CA 440 C C . GLN A 63 ? 0.6344 0.3236 0.5815 0.0042 -0.0359 0.0702 286 GLN A C 441 O O . GLN A 63 ? 0.5720 0.2340 0.5723 -0.0115 -0.0374 0.0872 286 GLN A O 442 C CB . GLN A 63 ? 0.7713 0.4835 0.6547 0.0247 0.0136 0.1146 286 GLN A CB 443 C CG . GLN A 63 ? 0.9148 0.6020 0.7530 0.0465 -0.0003 0.1025 286 GLN A CG 444 C CD . GLN A 63 ? 0.9960 0.7130 0.7907 0.0642 -0.0060 0.0782 286 GLN A CD 445 O OE1 . GLN A 63 ? 1.0336 0.7838 0.8258 0.0635 0.0036 0.0764 286 GLN A OE1 446 N NE2 . GLN A 63 ? 0.9238 0.6294 0.6921 0.0807 -0.0233 0.0593 286 GLN A NE2 447 N N . GLU A 64 ? 0.6628 0.3527 0.5786 0.0202 -0.0582 0.0379 287 GLU A N 448 C CA . GLU A 64 ? 0.7905 0.4452 0.7199 0.0265 -0.0882 0.0156 287 GLU A CA 449 C C . GLU A 64 ? 0.7330 0.3788 0.6093 0.0529 -0.0947 0.0030 287 GLU A C 450 O O . GLU A 64 ? 0.7074 0.3896 0.5492 0.0672 -0.0952 -0.0145 287 GLU A O 451 C CB . GLU A 64 ? 0.8630 0.5375 0.8124 0.0264 -0.1153 -0.0203 287 GLU A CB 452 C CG . GLU A 64 ? 1.0841 0.7241 1.0451 0.0404 -0.1528 -0.0529 287 GLU A CG 453 C CD . GLU A 64 ? 1.2704 0.9356 1.2405 0.0501 -0.1824 -0.0926 287 GLU A CD 454 O OE1 . GLU A 64 ? 1.2607 0.9762 1.2011 0.0570 -0.1719 -0.0967 287 GLU A OE1 455 O OE2 . GLU A 64 ? 1.3645 0.9983 1.3729 0.0535 -0.2183 -0.1199 287 GLU A OE2 456 N N . GLY A 65 ? 0.7188 0.3178 0.5951 0.0595 -0.0991 0.0151 288 GLY A N 457 C CA . GLY A 65 ? 0.7587 0.3487 0.5867 0.0862 -0.1053 0.0050 288 GLY A CA 458 C C . GLY A 65 ? 0.7228 0.3503 0.5078 0.0957 -0.0833 0.0146 288 GLY A C 459 O O . GLY A 65 ? 0.6569 0.2879 0.4374 0.0895 -0.0600 0.0435 288 GLY A O 460 N N . GLU A 66 ? 0.7061 0.3652 0.4644 0.1130 -0.0918 -0.0103 289 GLU A N 461 C CA . GLU A 66 ? 0.6581 0.3483 0.3881 0.1236 -0.0792 -0.0062 289 GLU A CA 462 C C . GLU A 66 ? 0.6115 0.3481 0.3569 0.1096 -0.0679 -0.0066 289 GLU A C 463 O O . GLU A 66 ? 0.6228 0.3870 0.3586 0.1164 -0.0624 -0.0076 289 GLU A O 464 C CB . GLU A 66 ? 0.8346 0.5381 0.5430 0.1485 -0.0935 -0.0285 289 GLU A CB 465 C CG . GLU A 66 ? 1.0319 0.7372 0.7120 0.1669 -0.0904 -0.0232 289 GLU A CG 466 C CD . GLU A 66 ? 1.0717 0.7250 0.7272 0.1794 -0.0911 -0.0054 289 GLU A CD 467 O OE1 . GLU A 66 ? 1.0455 0.6584 0.7155 0.1713 -0.0948 0.0038 289 GLU A OE1 468 O OE2 . GLU A 66 ? 1.1748 0.8274 0.7997 0.1993 -0.0898 0.0000 289 GLU A OE2 469 N N . LEU A 67 ? 0.6077 0.3512 0.3820 0.0912 -0.0679 -0.0073 290 LEU A N 470 C CA . LEU A 67 ? 0.5875 0.3742 0.3775 0.0804 -0.0599 -0.0080 290 LEU A CA 471 C C . LEU A 67 ? 0.6155 0.4002 0.4301 0.0596 -0.0468 0.0094 290 LEU A C 472 O O . LEU A 67 ? 0.7720 0.5280 0.6068 0.0489 -0.0473 0.0188 290 LEU A O 473 C CB . LEU A 67 ? 0.6273 0.4403 0.4250 0.0851 -0.0730 -0.0274 290 LEU A CB 474 C CG . LEU A 67 ? 0.6342 0.4662 0.4119 0.1089 -0.0813 -0.0426 290 LEU A CG 475 C CD1 . LEU A 67 ? 0.6404 0.4997 0.4180 0.1208 -0.0926 -0.0600 290 LEU A CD1 476 C CD2 . LEU A 67 ? 0.5714 0.4383 0.3521 0.1117 -0.0696 -0.0341 290 LEU A CD2 477 N N . ALA A 68 ? 0.5007 0.3171 0.3219 0.0542 -0.0361 0.0141 291 ALA A N 478 C CA . ALA A 68 ? 0.4726 0.2967 0.3200 0.0373 -0.0243 0.0272 291 ALA A CA 479 C C . ALA A 68 ? 0.5446 0.3985 0.4157 0.0283 -0.0318 0.0171 291 ALA A C 480 O O . ALA A 68 ? 0.5545 0.4307 0.4178 0.0375 -0.0399 0.0059 291 ALA A O 481 C CB . ALA A 68 ? 0.4620 0.2980 0.2983 0.0428 -0.0089 0.0381 291 ALA A CB 482 N N . SER A 69 ? 0.4430 0.3010 0.3448 0.0128 -0.0280 0.0239 292 SER A N 483 C CA . SER A 69 ? 0.4062 0.2938 0.3279 0.0074 -0.0353 0.0161 292 SER A CA 484 C C . SER A 69 ? 0.4472 0.3484 0.3956 -0.0052 -0.0215 0.0296 292 SER A C 485 O O . SER A 69 ? 0.4208 0.3082 0.3886 -0.0146 -0.0108 0.0429 292 SER A O 486 C CB . SER A 69 ? 0.5124 0.3923 0.4485 0.0071 -0.0570 -0.0011 292 SER A CB 487 O OG . SER A 69 ? 0.4861 0.3659 0.3922 0.0264 -0.0705 -0.0177 292 SER A OG 488 N N . THR A 70 ? 0.4257 0.3560 0.3788 -0.0037 -0.0201 0.0294 293 THR A N 489 C CA . THR A 70 ? 0.3809 0.3267 0.3573 -0.0108 -0.0090 0.0386 293 THR A CA 490 C C . THR A 70 ? 0.3594 0.3306 0.3591 -0.0149 -0.0191 0.0343 293 THR A C 491 O O . THR A 70 ? 0.3280 0.3123 0.3165 -0.0067 -0.0302 0.0285 293 THR A O 492 C CB . THR A 70 ? 0.4038 0.3558 0.3665 -0.0006 -0.0004 0.0414 293 THR A CB 493 O OG1 . THR A 70 ? 0.4072 0.3379 0.3418 0.0090 0.0069 0.0440 293 THR A OG1 494 C CG2 . THR A 70 ? 0.4369 0.4059 0.4218 -0.0026 0.0086 0.0466 293 THR A CG2 495 N N . GLN A 71 ? 0.3255 0.3077 0.3571 -0.0243 -0.0142 0.0392 294 GLN A N 496 C CA . GLN A 71 ? 0.3329 0.3403 0.3854 -0.0249 -0.0251 0.0353 294 GLN A CA 497 C C . GLN A 71 ? 0.3386 0.3627 0.4195 -0.0291 -0.0140 0.0432 294 GLN A C 498 O O . GLN A 71 ? 0.3370 0.3569 0.4266 -0.0323 0.0026 0.0513 294 GLN A O 499 C CB . GLN A 71 ? 0.3711 0.3776 0.4423 -0.0290 -0.0445 0.0219 294 GLN A CB 500 C CG . GLN A 71 ? 0.4017 0.4034 0.5211 -0.0454 -0.0406 0.0256 294 GLN A CG 501 C CD . GLN A 71 ? 0.4725 0.4743 0.6243 -0.0487 -0.0687 0.0060 294 GLN A CD 502 O OE1 . GLN A 71 ? 0.5895 0.5754 0.7209 -0.0397 -0.0882 -0.0111 294 GLN A OE1 503 N NE2 . GLN A 71 ? 0.4980 0.5197 0.7019 -0.0582 -0.0745 0.0047 294 GLN A NE2 504 N N . SER A 72 ? 0.2225 0.2682 0.3155 -0.0250 -0.0221 0.0428 295 SER A N 505 C CA . SER A 72 ? 0.2549 0.3182 0.3779 -0.0262 -0.0153 0.0470 295 SER A CA 506 C C . SER A 72 ? 0.2270 0.3123 0.3726 -0.0252 -0.0318 0.0430 295 SER A C 507 O O . SER A 72 ? 0.2868 0.3784 0.4146 -0.0156 -0.0440 0.0438 295 SER A O 508 C CB . SER A 72 ? 0.2585 0.3213 0.3727 -0.0159 -0.0093 0.0506 295 SER A CB 509 O OG . SER A 72 ? 0.2490 0.3302 0.3923 -0.0126 -0.0078 0.0511 295 SER A OG 510 N N . GLU A 73 ? 0.1958 0.2968 0.3817 -0.0323 -0.0312 0.0410 296 GLU A N 511 C CA . GLU A 73 ? 0.1857 0.3098 0.3970 -0.0289 -0.0503 0.0340 296 GLU A CA 512 C C . GLU A 73 ? 0.2548 0.3989 0.4895 -0.0232 -0.0445 0.0400 296 GLU A C 513 O O . GLU A 73 ? 0.2939 0.4458 0.5526 -0.0269 -0.0273 0.0437 296 GLU A O 514 C CB . GLU A 73 ? 0.2125 0.3423 0.4671 -0.0411 -0.0623 0.0223 296 GLU A CB 515 C CG . GLU A 73 ? 0.3195 0.4732 0.5962 -0.0327 -0.0906 0.0077 296 GLU A CG 516 C CD . GLU A 73 ? 0.5268 0.6878 0.8657 -0.0458 -0.1082 -0.0080 296 GLU A CD 517 O OE1 . GLU A 73 ? 0.5783 0.7493 0.9723 -0.0623 -0.0908 0.0026 296 GLU A OE1 518 O OE2 . GLU A 73 ? 0.5350 0.6945 0.8718 -0.0372 -0.1407 -0.0310 296 GLU A OE2 519 N N . LEU A 74 ? 0.2685 0.2984 0.2569 -0.0382 -0.0227 0.0233 297 LEU A N 520 C CA . LEU A 74 ? 0.2732 0.3015 0.2571 -0.0315 -0.0265 0.0205 297 LEU A CA 521 C C . LEU A 74 ? 0.3620 0.3982 0.3477 -0.0292 -0.0266 0.0190 297 LEU A C 522 O O . LEU A 74 ? 0.3888 0.4232 0.3764 -0.0324 -0.0265 0.0208 297 LEU A O 523 C CB . LEU A 74 ? 0.3172 0.3305 0.2943 -0.0308 -0.0308 0.0219 297 LEU A CB 524 C CG . LEU A 74 ? 0.3234 0.3291 0.2916 -0.0236 -0.0348 0.0195 297 LEU A CG 525 C CD1 . LEU A 74 ? 0.3308 0.3369 0.2944 -0.0181 -0.0353 0.0170 297 LEU A CD1 526 C CD2 . LEU A 74 ? 0.2880 0.2772 0.2483 -0.0258 -0.0384 0.0213 297 LEU A CD2 527 N N . THR A 75 ? 0.3072 0.3532 0.2922 -0.0232 -0.0269 0.0159 298 THR A N 528 C CA . THR A 75 ? 0.3396 0.3954 0.3259 -0.0201 -0.0273 0.0144 298 THR A CA 529 C C . THR A 75 ? 0.4381 0.4867 0.4164 -0.0106 -0.0318 0.0130 298 THR A C 530 O O . THR A 75 ? 0.4304 0.4754 0.4026 -0.0042 -0.0334 0.0113 298 THR A O 531 C CB . THR A 75 ? 0.4682 0.5442 0.4592 -0.0203 -0.0240 0.0119 298 THR A CB 532 O OG1 . THR A 75 ? 0.5130 0.5923 0.5085 -0.0297 -0.0195 0.0133 298 THR A OG1 533 C CG2 . THR A 75 ? 0.4026 0.4916 0.3951 -0.0170 -0.0248 0.0104 298 THR A CG2 534 N N . LEU A 76 ? 0.3354 0.3805 0.3123 -0.0097 -0.0336 0.0138 299 LEU A N 535 C CA . LEU A 76 ? 0.4029 0.4385 0.3699 -0.0006 -0.0377 0.0127 299 LEU A CA 536 C C . LEU A 76 ? 0.4043 0.4548 0.3732 0.0048 -0.0378 0.0111 299 LEU A C 537 O O . LEU A 76 ? 0.4346 0.4975 0.4121 -0.0012 -0.0354 0.0117 299 LEU A O 538 C CB . LEU A 76 ? 0.3419 0.3575 0.3032 -0.0041 -0.0402 0.0151 299 LEU A CB 539 C CG . LEU A 76 ? 0.3661 0.3672 0.3243 -0.0099 -0.0407 0.0169 299 LEU A CG 540 C CD1 . LEU A 76 ? 0.3905 0.3755 0.3435 -0.0141 -0.0431 0.0192 299 LEU A CD1 541 C CD2 . LEU A 76 ? 0.4189 0.4119 0.3672 -0.0037 -0.0425 0.0151 299 LEU A CD2 542 N N . SER A 77 ? 0.4507 0.4993 0.4104 0.0164 -0.0404 0.0092 300 SER A N 543 C CA . SER A 77 ? 0.4917 0.5534 0.4515 0.0231 -0.0412 0.0080 300 SER A CA 544 C C . SER A 77 ? 0.5113 0.5603 0.4689 0.0202 -0.0430 0.0099 300 SER A C 545 O O . SER A 77 ? 0.3616 0.3885 0.3127 0.0170 -0.0448 0.0116 300 SER A O 546 C CB . SER A 77 ? 0.5566 0.6176 0.5046 0.0382 -0.0436 0.0058 300 SER A CB 547 O OG . SER A 77 ? 0.4763 0.5094 0.4090 0.0428 -0.0468 0.0064 300 SER A OG 548 N N . GLN A 78 ? 0.4282 0.4918 0.3908 0.0208 -0.0426 0.0097 301 GLN A N 549 C CA . GLN A 78 ? 0.4266 0.4786 0.3868 0.0187 -0.0444 0.0113 301 GLN A CA 550 C C . GLN A 78 ? 0.4778 0.5074 0.4218 0.0283 -0.0483 0.0110 301 GLN A C 551 O O . GLN A 78 ? 0.4100 0.4191 0.3482 0.0242 -0.0500 0.0127 301 GLN A O 552 C CB . GLN A 78 ? 0.4345 0.5067 0.4009 0.0197 -0.0437 0.0108 301 GLN A CB 553 C CG . GLN A 78 ? 0.4269 0.4873 0.3915 0.0169 -0.0453 0.0125 301 GLN A CG 554 C CD . GLN A 78 ? 0.4829 0.5628 0.4516 0.0196 -0.0452 0.0118 301 GLN A CD 555 O OE1 . GLN A 78 ? 0.4869 0.5634 0.4474 0.0295 -0.0480 0.0111 301 GLN A OE1 556 N NE2 . GLN A 78 ? 0.4594 0.5594 0.4395 0.0106 -0.0418 0.0119 301 GLN A NE2 557 N N . LYS A 79 ? 0.4712 0.5041 0.4062 0.0411 -0.0495 0.0087 302 LYS A N 558 C CA . LYS A 79 ? 0.5820 0.5918 0.4977 0.0518 -0.0528 0.0082 302 LYS A CA 559 C C . LYS A 79 ? 0.5077 0.4898 0.4142 0.0455 -0.0540 0.0094 302 LYS A C 560 O O . LYS A 79 ? 0.4899 0.4488 0.3839 0.0452 -0.0563 0.0102 302 LYS A O 561 C CB . LYS A 79 ? 0.6852 0.7040 0.5925 0.0670 -0.0532 0.0058 302 LYS A CB 562 C CG . LYS A 79 ? 0.8462 0.8373 0.7298 0.0786 -0.0561 0.0051 302 LYS A CG 563 C CD . LYS A 79 ? 1.0124 1.0101 0.8881 0.0916 -0.0557 0.0031 302 LYS A CD 564 C CE . LYS A 79 ? 1.1501 1.1144 1.0017 0.0981 -0.0576 0.0028 302 LYS A CE 565 N NZ . LYS A 79 ? 1.1820 1.1507 1.0285 0.1063 -0.0566 0.0014 302 LYS A NZ 566 N N . HIS A 80 ? 0.4803 0.4653 0.3921 0.0402 -0.0523 0.0094 303 HIS A N 567 C CA . HIS A 80 ? 0.4576 0.4201 0.3614 0.0337 -0.0533 0.0106 303 HIS A CA 568 C C . HIS A 80 ? 0.4838 0.4379 0.3932 0.0211 -0.0534 0.0133 303 HIS A C 569 O O . HIS A 80 ? 0.5340 0.4654 0.4311 0.0179 -0.0556 0.0142 303 HIS A O 570 C CB . HIS A 80 ? 0.4811 0.4519 0.3912 0.0308 -0.0513 0.0102 303 HIS A CB 571 C CG . HIS A 80 ? 0.5580 0.5287 0.4576 0.0430 -0.0518 0.0078 303 HIS A CG 572 N ND1 . HIS A 80 ? 0.5773 0.5497 0.4776 0.0423 -0.0506 0.0072 303 HIS A ND1 573 C CD2 . HIS A 80 ? 0.6692 0.6377 0.5561 0.0572 -0.0533 0.0061 303 HIS A CD2 574 C CE1 . HIS A 80 ? 0.6093 0.5806 0.4982 0.0551 -0.0513 0.0051 303 HIS A CE1 575 N NE2 . HIS A 80 ? 0.7228 0.6919 0.6030 0.0648 -0.0528 0.0045 303 HIS A NE2 576 N N . TRP A 81 ? 0.4495 0.4215 0.3758 0.0137 -0.0509 0.0145 304 TRP A N 577 C CA . TRP A 81 ? 0.4030 0.3689 0.3348 0.0030 -0.0506 0.0173 304 TRP A CA 578 C C . TRP A 81 ? 0.4720 0.4226 0.3932 0.0058 -0.0535 0.0175 304 TRP A C 579 O O . TRP A 81 ? 0.4191 0.3518 0.3334 -0.0002 -0.0550 0.0190 304 TRP A O 580 C CB . TRP A 81 ? 0.4241 0.4107 0.3729 -0.0034 -0.0471 0.0183 304 TRP A CB 581 C CG . TRP A 81 ? 0.4257 0.4071 0.3803 -0.0140 -0.0462 0.0215 304 TRP A CG 582 C CD1 . TRP A 81 ? 0.4579 0.4432 0.4181 -0.0176 -0.0454 0.0228 304 TRP A CD1 583 C CD2 . TRP A 81 ? 0.3804 0.3526 0.3355 -0.0220 -0.0458 0.0238 304 TRP A CD2 584 N NE1 . TRP A 81 ? 0.4029 0.3814 0.3667 -0.0268 -0.0444 0.0259 304 TRP A NE1 585 C CE2 . TRP A 81 ? 0.4227 0.3942 0.3836 -0.0294 -0.0447 0.0266 304 TRP A CE2 586 C CE3 . TRP A 81 ? 0.3705 0.3361 0.3213 -0.0234 -0.0463 0.0239 304 TRP A CE3 587 C CZ2 . TRP A 81 ? 0.3506 0.3165 0.3135 -0.0374 -0.0440 0.0295 304 TRP A CZ2 588 C CZ3 . TRP A 81 ? 0.3579 0.3183 0.3109 -0.0320 -0.0457 0.0267 304 TRP A CZ3 589 C CH2 . TRP A 81 ? 0.3301 0.2914 0.2892 -0.0385 -0.0446 0.0295 304 TRP A CH2 590 N N . LEU A 82 ? 0.4486 0.4069 0.3677 0.0151 -0.0541 0.0158 305 LEU A N 591 C CA . LEU A 82 ? 0.5160 0.4611 0.4251 0.0187 -0.0566 0.0159 305 LEU A CA 592 C C . LEU A 82 ? 0.5405 0.4578 0.4269 0.0247 -0.0597 0.0150 305 LEU A C 593 O O . LEU A 82 ? 0.5862 0.4867 0.4615 0.0255 -0.0617 0.0153 305 LEU A O 594 C CB . LEU A 82 ? 0.5343 0.4978 0.4478 0.0272 -0.0563 0.0146 305 LEU A CB 595 C CG . LEU A 82 ? 0.5958 0.5761 0.5254 0.0191 -0.0543 0.0161 305 LEU A CG 596 C CD1 . LEU A 82 ? 0.5338 0.5239 0.4778 0.0071 -0.0509 0.0178 305 LEU A CD1 597 C CD2 . LEU A 82 ? 0.5652 0.5689 0.4999 0.0268 -0.0537 0.0144 305 LEU A CD2 598 N N . SER A 83 ? 0.5341 0.4448 0.4121 0.0281 -0.0599 0.0139 306 SER A N 599 C CA . SER A 83 ? 0.5632 0.4451 0.4170 0.0328 -0.0624 0.0130 306 SER A CA 600 C C . SER A 83 ? 0.4824 0.3441 0.3299 0.0197 -0.0634 0.0148 306 SER A C 601 O O . SER A 83 ? 0.4762 0.3122 0.3021 0.0207 -0.0654 0.0141 306 SER A O 602 C CB . SER A 83 ? 0.6038 0.4852 0.4490 0.0420 -0.0622 0.0111 306 SER A CB 603 O OG . SER A 83 ? 0.6908 0.5755 0.5439 0.0327 -0.0609 0.0119 306 SER A OG 604 N N . ASP A 84 ? 0.4529 0.3264 0.3180 0.0075 -0.0619 0.0170 307 ASP A N 605 C CA . ASP A 84 ? 0.4611 0.3201 0.3220 -0.0051 -0.0628 0.0190 307 ASP A CA 606 C C . ASP A 84 ? 0.4758 0.3266 0.3298 -0.0098 -0.0631 0.0190 307 ASP A C 607 O O . ASP A 84 ? 0.4939 0.3277 0.3367 -0.0184 -0.0646 0.0200 307 ASP A O 608 C CB . ASP A 84 ? 0.5098 0.3445 0.3523 -0.0054 -0.0654 0.0189 307 ASP A CB 609 C CG . ASP A 84 ? 0.7962 0.6387 0.6497 -0.0086 -0.0651 0.0204 307 ASP A CG 610 O OD1 . ASP A 84 ? 0.8078 0.6659 0.6795 -0.0176 -0.0632 0.0227 307 ASP A OD1 611 O OD2 . ASP A 84 ? 0.8355 0.6679 0.6784 -0.0017 -0.0666 0.0193 307 ASP A OD2 612 N N . ARG A 85 ? 0.4269 0.2905 0.2873 -0.0047 -0.0616 0.0180 308 ARG A N 613 C CA . ARG A 85 ? 0.4499 0.3099 0.3074 -0.0098 -0.0614 0.0182 308 ARG A CA 614 C C . ARG A 85 ? 0.4507 0.3232 0.3247 -0.0225 -0.0599 0.0211 308 ARG A C 615 O O . ARG A 85 ? 0.3889 0.2783 0.2798 -0.0246 -0.0579 0.0225 308 ARG A O 616 C CB . ARG A 85 ? 0.4458 0.3190 0.3083 -0.0012 -0.0598 0.0164 308 ARG A CB 617 C CG . ARG A 85 ? 0.5466 0.4086 0.3917 0.0129 -0.0611 0.0137 308 ARG A CG 618 C CD . ARG A 85 ? 0.6159 0.4955 0.4684 0.0217 -0.0592 0.0120 308 ARG A CD 619 N NE . ARG A 85 ? 0.7989 0.6702 0.6349 0.0368 -0.0603 0.0097 308 ARG A NE 620 C CZ . ARG A 85 ? 0.8735 0.7573 0.7108 0.0471 -0.0590 0.0080 308 ARG A CZ 621 N NH1 . ARG A 85 ? 0.8434 0.7476 0.6978 0.0430 -0.0567 0.0080 308 ARG A NH1 622 N NH2 . ARG A 85 ? 0.8940 0.7698 0.7147 0.0619 -0.0600 0.0062 308 ARG A NH2 623 N N . THR A 86 ? 0.3954 0.2596 0.2633 -0.0307 -0.0607 0.0221 309 THR A N 624 C CA . THR A 86 ? 0.3570 0.2341 0.2392 -0.0415 -0.0592 0.0251 309 THR A CA 625 C C . THR A 86 ? 0.3116 0.2038 0.2045 -0.0406 -0.0569 0.0251 309 THR A C 626 O O . THR A 86 ? 0.3492 0.2343 0.2326 -0.0372 -0.0577 0.0234 309 THR A O 627 C CB . THR A 86 ? 0.3801 0.2426 0.2500 -0.0524 -0.0614 0.0266 309 THR A CB 628 O OG1 . THR A 86 ? 0.4352 0.2823 0.2938 -0.0540 -0.0633 0.0265 309 THR A OG1 629 C CG2 . THR A 86 ? 0.4732 0.3524 0.3584 -0.0621 -0.0597 0.0299 309 THR A CG2 630 N N . TYR A 87 ? 0.2886 0.2001 0.1999 -0.0436 -0.0540 0.0270 310 TYR A N 631 C CA . TYR A 87 ? 0.3155 0.2409 0.2367 -0.0432 -0.0515 0.0272 310 TYR A CA 632 C C . TYR A 87 ? 0.3604 0.2925 0.2882 -0.0525 -0.0505 0.0305 310 TYR A C 633 O O . TYR A 87 ? 0.3154 0.2526 0.2501 -0.0573 -0.0496 0.0330 310 TYR A O 634 C CB . TYR A 87 ? 0.3175 0.2597 0.2523 -0.0379 -0.0483 0.0265 310 TYR A CB 635 C CG . TYR A 87 ? 0.3495 0.2888 0.2777 -0.0280 -0.0493 0.0232 310 TYR A CG 636 C CD1 . TYR A 87 ? 0.3797 0.3145 0.3044 -0.0245 -0.0506 0.0226 310 TYR A CD1 637 C CD2 . TYR A 87 ? 0.3339 0.2749 0.2584 -0.0215 -0.0491 0.0208 310 TYR A CD2 638 C CE1 . TYR A 87 ? 0.3324 0.2657 0.2502 -0.0142 -0.0516 0.0199 310 TYR A CE1 639 C CE2 . TYR A 87 ? 0.3267 0.2664 0.2443 -0.0111 -0.0500 0.0180 310 TYR A CE2 640 C CZ . TYR A 87 ? 0.3575 0.2939 0.2718 -0.0073 -0.0512 0.0177 310 TYR A CZ 641 O OH . TYR A 87 ? 0.3788 0.3151 0.2855 0.0041 -0.0522 0.0151 310 TYR A OH 642 N N . THR A 88 ? 0.3310 0.2634 0.2562 -0.0544 -0.0506 0.0304 311 THR A N 643 C CA . THR A 88 ? 0.3282 0.2678 0.2579 -0.0625 -0.0500 0.0335 311 THR A CA 644 C C . THR A 88 ? 0.2753 0.2297 0.2160 -0.0604 -0.0467 0.0340 311 THR A C 645 O O . THR A 88 ? 0.3482 0.3016 0.2864 -0.0558 -0.0464 0.0317 311 THR A O 646 C CB . THR A 88 ? 0.3185 0.2453 0.2334 -0.0683 -0.0533 0.0333 311 THR A CB 647 O OG1 . THR A 88 ? 0.3813 0.2913 0.2828 -0.0706 -0.0562 0.0325 311 THR A OG1 648 C CG2 . THR A 88 ? 0.3896 0.3273 0.3095 -0.0769 -0.0528 0.0367 311 THR A CG2 649 N N . CYS A 89 ? 0.2755 0.2428 0.2273 -0.0633 -0.0438 0.0371 312 CYS A N 650 C CA . CYS A 89 ? 0.3298 0.3090 0.2894 -0.0621 -0.0406 0.0380 312 CYS A CA 651 C C . CYS A 89 ? 0.3818 0.3631 0.3381 -0.0677 -0.0419 0.0401 312 CYS A C 652 O O . CYS A 89 ? 0.3402 0.3250 0.2972 -0.0733 -0.0425 0.0432 312 CYS A O 653 C CB . CYS A 89 ? 0.3031 0.2932 0.2733 -0.0617 -0.0364 0.0405 312 CYS A CB 654 S SG . CYS A 89 ? 0.3618 0.3637 0.3384 -0.0600 -0.0319 0.0418 312 CYS A SG 655 N N . GLN A 90 ? 0.3129 0.2928 0.2654 -0.0664 -0.0425 0.0385 313 GLN A N 656 C CA . GLN A 90 ? 0.3294 0.3112 0.2774 -0.0721 -0.0441 0.0401 313 GLN A CA 657 C C . GLN A 90 ? 0.3957 0.3907 0.3517 -0.0701 -0.0408 0.0416 313 GLN A C 658 O O . GLN A 90 ? 0.3197 0.3145 0.2765 -0.0653 -0.0394 0.0392 313 GLN A O 659 C CB . GLN A 90 ? 0.3710 0.3382 0.3054 -0.0729 -0.0476 0.0372 313 GLN A CB 660 C CG . GLN A 90 ? 0.4612 0.4287 0.3885 -0.0805 -0.0498 0.0386 313 GLN A CG 661 C CD . GLN A 90 ? 0.5543 0.5035 0.4651 -0.0814 -0.0529 0.0356 313 GLN A CD 662 O OE1 . GLN A 90 ? 0.5541 0.4909 0.4518 -0.0880 -0.0560 0.0355 313 GLN A OE1 663 N NE2 . GLN A 90 ? 0.4420 0.3882 0.3519 -0.0747 -0.0520 0.0330 313 GLN A NE2 664 N N . VAL A 91 ? 0.2830 0.2896 0.2441 -0.0734 -0.0395 0.0454 314 VAL A N 665 C CA . VAL A 91 ? 0.2760 0.2949 0.2437 -0.0705 -0.0358 0.0474 314 VAL A CA 666 C C . VAL A 91 ? 0.3299 0.3553 0.2942 -0.0750 -0.0377 0.0491 314 VAL A C 667 O O . VAL A 91 ? 0.3375 0.3668 0.2990 -0.0814 -0.0401 0.0514 314 VAL A O 668 C CB . VAL A 91 ? 0.3046 0.3328 0.2796 -0.0690 -0.0322 0.0510 314 VAL A CB 669 C CG1 . VAL A 91 ? 0.2764 0.3148 0.2553 -0.0649 -0.0280 0.0531 314 VAL A CG1 670 C CG2 . VAL A 91 ? 0.3298 0.3516 0.3074 -0.0659 -0.0305 0.0494 314 VAL A CG2 671 N N . THR A 92 ? 0.2813 0.3085 0.2452 -0.0723 -0.0366 0.0480 315 THR A N 672 C CA . THR A 92 ? 0.2861 0.3207 0.2469 -0.0764 -0.0383 0.0496 315 THR A CA 673 C C . THR A 92 ? 0.3054 0.3533 0.2729 -0.0714 -0.0340 0.0521 315 THR A C 674 O O . THR A 92 ? 0.2896 0.3350 0.2593 -0.0655 -0.0309 0.0504 315 THR A O 675 C CB . THR A 92 ? 0.4079 0.4319 0.3606 -0.0774 -0.0408 0.0461 315 THR A CB 676 O OG1 . THR A 92 ? 0.4978 0.5059 0.4420 -0.0797 -0.0440 0.0434 315 THR A OG1 677 C CG2 . THR A 92 ? 0.3838 0.4153 0.3319 -0.0835 -0.0430 0.0479 315 THR A CG2 678 N N . TYR A 93 ? 0.2858 0.3478 0.2555 -0.0736 -0.0337 0.0564 316 TYR A N 679 C CA . TYR A 93 ? 0.2919 0.3666 0.2661 -0.0678 -0.0295 0.0596 316 TYR A CA 680 C C . TYR A 93 ? 0.2478 0.3362 0.2201 -0.0712 -0.0314 0.0620 316 TYR A C 681 O O . TYR A 93 ? 0.3293 0.4265 0.3002 -0.0779 -0.0344 0.0643 316 TYR A O 682 C CB . TYR A 93 ? 0.3020 0.3832 0.2804 -0.0655 -0.0268 0.0632 316 TYR A CB 683 C CG . TYR A 93 ? 0.3212 0.4157 0.3014 -0.0591 -0.0225 0.0673 316 TYR A CG 684 C CD1 . TYR A 93 ? 0.3066 0.3961 0.2863 -0.0514 -0.0175 0.0668 316 TYR A CD1 685 C CD2 . TYR A 93 ? 0.3286 0.4405 0.3094 -0.0606 -0.0233 0.0718 316 TYR A CD2 686 C CE1 . TYR A 93 ? 0.3304 0.4295 0.3089 -0.0446 -0.0132 0.0707 316 TYR A CE1 687 C CE2 . TYR A 93 ? 0.3802 0.5046 0.3613 -0.0531 -0.0193 0.0758 316 TYR A CE2 688 C CZ . TYR A 93 ? 0.3410 0.4575 0.3202 -0.0447 -0.0141 0.0752 316 TYR A CZ 689 O OH . TYR A 93 ? 0.4004 0.5265 0.3771 -0.0363 -0.0098 0.0793 316 TYR A OH 690 N N . GLN A 94 ? 0.3002 0.3910 0.2719 -0.0671 -0.0297 0.0615 317 GLN A N 691 C CA . GLN A 94 ? 0.3888 0.4933 0.3586 -0.0698 -0.0314 0.0636 317 GLN A CA 692 C C . GLN A 94 ? 0.3432 0.4457 0.3072 -0.0808 -0.0371 0.0624 317 GLN A C 693 O O . GLN A 94 ? 0.3655 0.4831 0.3282 -0.0866 -0.0393 0.0654 317 GLN A O 694 C CB . GLN A 94 ? 0.3650 0.4894 0.3383 -0.0664 -0.0290 0.0690 317 GLN A CB 695 C CG . GLN A 94 ? 0.3243 0.4490 0.2994 -0.0552 -0.0230 0.0705 317 GLN A CG 696 C CD . GLN A 94 ? 0.4262 0.5521 0.3990 -0.0508 -0.0214 0.0697 317 GLN A CD 697 O OE1 . GLN A 94 ? 0.3800 0.4934 0.3517 -0.0458 -0.0182 0.0671 317 GLN A OE1 698 N NE2 . GLN A 94 ? 0.4059 0.5475 0.3776 -0.0530 -0.0236 0.0720 317 GLN A NE2 699 N N . GLY A 95 ? 0.3513 0.4349 0.3103 -0.0835 -0.0393 0.0581 318 GLY A N 700 C CA . GLY A 95 ? 0.3883 0.4644 0.3379 -0.0935 -0.0442 0.0565 318 GLY A CA 701 C C . GLY A 95 ? 0.4634 0.5383 0.4100 -0.1010 -0.0468 0.0576 318 GLY A C 702 O O . GLY A 95 ? 0.4329 0.4997 0.3690 -0.1104 -0.0508 0.0563 318 GLY A O 703 N N . HIS A 96 ? 0.3479 0.3382 0.2921 -0.0744 -0.0569 0.0060 319 HIS A N 704 C CA . HIS A 96 ? 0.3343 0.3215 0.2954 -0.0678 -0.0499 0.0007 319 HIS A CA 705 C C . HIS A 96 ? 0.3240 0.3166 0.2816 -0.0740 -0.0449 0.0081 319 HIS A C 706 O O . HIS A 96 ? 0.3492 0.3368 0.2914 -0.0823 -0.0495 0.0157 319 HIS A O 707 C CB . HIS A 96 ? 0.3617 0.3218 0.3235 -0.0643 -0.0556 -0.0043 319 HIS A CB 708 C CG . HIS A 96 ? 0.3849 0.3363 0.3577 -0.0542 -0.0583 -0.0164 319 HIS A CG 709 N ND1 . HIS A 96 ? 0.5796 0.5220 0.5405 -0.0562 -0.0694 -0.0166 319 HIS A ND1 710 C CD2 . HIS A 96 ? 0.3522 0.3028 0.3487 -0.0399 -0.0507 -0.0299 319 HIS A CD2 711 C CE1 . HIS A 96 ? 0.5154 0.4505 0.4909 -0.0439 -0.0701 -0.0306 319 HIS A CE1 712 N NE2 . HIS A 96 ? 0.5740 0.5140 0.5730 -0.0333 -0.0581 -0.0396 319 HIS A NE2 713 N N . THR A 97 ? 0.3588 0.3622 0.3332 -0.0683 -0.0347 0.0049 320 THR A N 714 C CA . THR A 97 ? 0.3539 0.3649 0.3266 -0.0729 -0.0297 0.0107 320 THR A CA 715 C C . THR A 97 ? 0.3009 0.2972 0.2727 -0.0681 -0.0278 0.0107 320 THR A C 716 O O . THR A 97 ? 0.2756 0.2629 0.2597 -0.0581 -0.0228 0.0041 320 THR A O 717 C CB . THR A 97 ? 0.3522 0.3896 0.3462 -0.0719 -0.0188 0.0088 320 THR A CB 718 O OG1 . THR A 97 ? 0.4061 0.4584 0.4029 -0.0784 -0.0203 0.0083 320 THR A OG1 719 C CG2 . THR A 97 ? 0.3461 0.3889 0.3372 -0.0782 -0.0153 0.0146 320 THR A CG2 720 N N . PHE A 98 ? 0.2698 0.2629 0.2286 -0.0743 -0.0310 0.0168 321 PHE A N 721 C CA . PHE A 98 ? 0.3364 0.3194 0.2929 -0.0709 -0.0297 0.0175 321 PHE A CA 722 C C . PHE A 98 ? 0.3774 0.3727 0.3319 -0.0721 -0.0255 0.0212 321 PHE A C 723 O O . PHE A 98 ? 0.3168 0.3190 0.2657 -0.0796 -0.0283 0.0239 321 PHE A O 724 C CB . PHE A 98 ? 0.3588 0.3296 0.3057 -0.0773 -0.0388 0.0200 321 PHE A CB 725 C CG . PHE A 98 ? 0.3522 0.3101 0.3009 -0.0793 -0.0450 0.0171 321 PHE A CG 726 C CD1 . PHE A 98 ? 0.4850 0.4238 0.4400 -0.0783 -0.0463 0.0126 321 PHE A CD1 727 C CD2 . PHE A 98 ? 0.3438 0.3062 0.2880 -0.0827 -0.0495 0.0182 321 PHE A CD2 728 C CE1 . PHE A 98 ? 0.4944 0.4181 0.4528 -0.0813 -0.0529 0.0086 321 PHE A CE1 729 C CE2 . PHE A 98 ? 0.4510 0.4009 0.3962 -0.0837 -0.0561 0.0152 321 PHE A CE2 730 C CZ . PHE A 98 ? 0.5020 0.4322 0.4551 -0.0834 -0.0582 0.0101 321 PHE A CZ 731 N N . GLU A 99 ? 0.2878 0.2835 0.2472 -0.0644 -0.0183 0.0205 322 GLU A N 732 C CA . GLU A 99 ? 0.2522 0.2590 0.2104 -0.0650 -0.0148 0.0235 322 GLU A CA 733 C C . GLU A 99 ? 0.3308 0.3288 0.2803 -0.0590 -0.0148 0.0244 322 GLU A C 734 O O . GLU A 99 ? 0.3156 0.3011 0.2656 -0.0523 -0.0124 0.0225 322 GLU A O 735 C CB . GLU A 99 ? 0.3490 0.3736 0.3266 -0.0612 -0.0035 0.0226 322 GLU A CB 736 C CG . GLU A 99 ? 0.3605 0.4009 0.3508 -0.0689 -0.0028 0.0214 322 GLU A CG 737 C CD . GLU A 99 ? 0.4121 0.4779 0.4313 -0.0658 0.0102 0.0199 322 GLU A CD 738 O OE1 . GLU A 99 ? 0.3255 0.3951 0.3546 -0.0558 0.0196 0.0202 322 GLU A OE1 739 O OE2 . GLU A 99 ? 0.3299 0.4139 0.3646 -0.0734 0.0120 0.0183 322 GLU A OE2 740 N N . ASP A 100 ? 0.2864 0.2890 0.2285 -0.0611 -0.0176 0.0261 323 ASP A N 741 C CA . ASP A 100 ? 0.3046 0.3039 0.2397 -0.0531 -0.0162 0.0265 323 ASP A CA 742 C C . ASP A 100 ? 0.3099 0.3193 0.2455 -0.0540 -0.0145 0.0274 323 ASP A C 743 O O . ASP A 100 ? 0.3371 0.3516 0.2770 -0.0633 -0.0166 0.0268 323 ASP A O 744 C CB . ASP A 100 ? 0.3159 0.3085 0.2428 -0.0542 -0.0244 0.0251 323 ASP A CB 745 C CG . ASP A 100 ? 0.4338 0.4209 0.3549 -0.0451 -0.0222 0.0248 323 ASP A CG 746 O OD1 . ASP A 100 ? 0.4107 0.3981 0.3298 -0.0367 -0.0147 0.0263 323 ASP A OD1 747 O OD2 . ASP A 100 ? 0.4752 0.4591 0.3957 -0.0468 -0.0271 0.0231 323 ASP A OD2 748 N N . SER A 101 ? 0.3052 0.3153 0.2369 -0.0450 -0.0105 0.0284 324 SER A N 749 C CA . SER A 101 ? 0.3183 0.3374 0.2532 -0.0460 -0.0083 0.0292 324 SER A CA 750 C C . SER A 101 ? 0.3223 0.3365 0.2435 -0.0370 -0.0118 0.0280 324 SER A C 751 O O . SER A 101 ? 0.2984 0.3057 0.2099 -0.0279 -0.0120 0.0281 324 SER A O 752 C CB . SER A 101 ? 0.3297 0.3623 0.2820 -0.0427 0.0045 0.0327 324 SER A CB 753 O OG . SER A 101 ? 0.5225 0.5646 0.4918 -0.0510 0.0076 0.0321 324 SER A OG 754 N N . THR A 102 ? 0.2998 0.3166 0.2213 -0.0397 -0.0147 0.0260 325 THR A N 755 C CA . THR A 102 ? 0.3429 0.3554 0.2514 -0.0293 -0.0189 0.0233 325 THR A CA 756 C C . THR A 102 ? 0.3254 0.3423 0.2393 -0.0313 -0.0172 0.0235 325 THR A C 757 O O . THR A 102 ? 0.3293 0.3509 0.2585 -0.0447 -0.0154 0.0236 325 THR A O 758 C CB . THR A 102 ? 0.2912 0.2965 0.1938 -0.0289 -0.0296 0.0151 325 THR A CB 759 O OG1 . THR A 102 ? 0.3516 0.3557 0.2433 -0.0159 -0.0335 0.0111 325 THR A OG1 760 C CG2 . THR A 102 ? 0.3044 0.3043 0.2155 -0.0402 -0.0339 0.0092 325 THR A CG2 761 N N . LYS A 103 ? 0.3166 0.3320 0.2189 -0.0188 -0.0178 0.0236 326 LYS A N 762 C CA . LYS A 103 ? 0.3258 0.3409 0.2305 -0.0203 -0.0205 0.0210 326 LYS A CA 763 C C . LYS A 103 ? 0.3213 0.3288 0.2066 -0.0045 -0.0280 0.0156 326 LYS A C 764 O O . LYS A 103 ? 0.3529 0.3594 0.2259 0.0064 -0.0289 0.0155 326 LYS A O 765 C CB . LYS A 103 ? 0.3697 0.3995 0.2894 -0.0224 -0.0086 0.0297 326 LYS A CB 766 C CG . LYS A 103 ? 0.4397 0.4750 0.3515 -0.0051 0.0018 0.0375 326 LYS A CG 767 C CD . LYS A 103 ? 0.6020 0.6526 0.5304 -0.0053 0.0117 0.0439 326 LYS A CD 768 C CE . LYS A 103 ? 0.7754 0.8401 0.7187 0.0040 0.0301 0.0526 326 LYS A CE 769 N NZ . LYS A 103 ? 0.7864 0.8764 0.7647 -0.0049 0.0419 0.0579 326 LYS A NZ 770 N N . LYS A 104 ? 0.3403 0.3425 0.2254 -0.0041 -0.0336 0.0100 327 LYS A N 771 C CA . LYS A 104 ? 0.3222 0.3179 0.1901 0.0126 -0.0417 0.0027 327 LYS A CA 772 C C . LYS A 104 ? 0.3878 0.3903 0.2386 0.0292 -0.0357 0.0109 327 LYS A C 773 O O . LYS A 104 ? 0.3761 0.3856 0.2288 0.0303 -0.0242 0.0221 327 LYS A O 774 C CB . LYS A 104 ? 0.3974 0.3864 0.2684 0.0109 -0.0462 -0.0019 327 LYS A CB 775 C CG . LYS A 104 ? 0.4921 0.4741 0.3455 0.0300 -0.0555 -0.0110 327 LYS A CG 776 C CD . LYS A 104 ? 0.6992 0.6700 0.5583 0.0258 -0.0614 -0.0175 327 LYS A CD 777 C CE . LYS A 104 ? 0.7599 0.7429 0.6276 0.0176 -0.0510 -0.0028 327 LYS A CE 778 N NZ . LYS A 104 ? 0.8853 0.8802 0.7340 0.0369 -0.0434 0.0086 327 LYS A NZ 779 N N . CYS A 105 ? 0.3857 0.3866 0.2230 0.0422 -0.0420 0.0045 328 CYS A N 780 C CA . CYS A 105 ? 0.4036 0.4071 0.2232 0.0572 -0.0367 0.0110 328 CYS A CA 781 C C . CYS A 105 ? 0.4231 0.4261 0.2304 0.0685 -0.0334 0.0162 328 CYS A C 782 O O . CYS A 105 ? 0.4786 0.4784 0.2841 0.0715 -0.0420 0.0089 328 CYS A O 783 C CB . CYS A 105 ? 0.4232 0.4291 0.2355 0.0672 -0.0449 0.0016 328 CYS A CB 784 S SG . CYS A 105 ? 0.5244 0.5350 0.3557 0.0539 -0.0467 -0.0027 328 CYS A SG 785 N N . ALA A 106 ? 0.4842 0.4888 0.2853 0.0752 -0.0201 0.0282 329 ALA A N 786 C CA . ALA A 106 ? 0.4640 0.4702 0.2555 0.0871 -0.0140 0.0353 329 ALA A CA 787 C C . ALA A 106 ? 0.5167 0.5179 0.2807 0.1067 -0.0217 0.0305 329 ALA A C 788 O O . ALA A 106 ? 0.4825 0.4819 0.2382 0.1109 -0.0277 0.0238 329 ALA A O 789 C CB . ALA A 106 ? 0.5808 0.5902 0.3784 0.0909 0.0056 0.0485 329 ALA A CB 790 N N . ASP A 107 ? 0.4924 0.4938 0.2449 0.1182 -0.0215 0.0336 330 ASP A N 791 C CA . ASP A 107 ? 0.5633 0.5606 0.2875 0.1392 -0.0284 0.0296 330 ASP A CA 792 C C . ASP A 107 ? 0.5922 0.5854 0.2989 0.1503 -0.0202 0.0345 330 ASP A C 793 O O . ASP A 107 ? 0.5646 0.5538 0.2742 0.1499 -0.0039 0.0458 330 ASP A O 794 C CB . ASP A 107 ? 0.5593 0.5570 0.2733 0.1503 -0.0253 0.0365 330 ASP A CB 795 C CG . ASP A 107 ? 0.6738 0.6706 0.4012 0.1410 -0.0380 0.0274 330 ASP A CG 796 O OD1 . ASP A 107 ? 0.6613 0.6602 0.3900 0.1432 -0.0346 0.0340 330 ASP A OD1 797 O OD2 . ASP A 107 ? 0.6456 0.6381 0.3842 0.1312 -0.0507 0.0130 330 ASP A OD2 798 N N . SER A 108 ? 0.5808 0.5745 0.2728 0.1604 -0.0310 0.0245 331 SER A N 799 C CA . SER A 108 ? 0.6207 0.6097 0.2982 0.1681 -0.0244 0.0275 331 SER A CA 800 C C . SER A 108 ? 0.6463 0.6275 0.2932 0.1900 -0.0170 0.0355 331 SER A C 801 O O . SER A 108 ? 0.6896 0.6597 0.3243 0.1958 -0.0053 0.0421 331 SER A O 802 C CB . SER A 108 ? 0.6499 0.6488 0.3327 0.1669 -0.0376 0.0130 331 SER A CB 803 O OG . SER A 108 ? 0.7832 0.7901 0.4545 0.1828 -0.0507 0.0019 331 SER A OG 804 N N . ASN A 109 ? 0.6148 0.5991 0.2496 0.2020 -0.0237 0.0345 332 ASN A N 805 C CA . ASN A 109 ? 0.6598 0.6373 0.2634 0.2247 -0.0173 0.0426 332 ASN A CA 806 C C . ASN A 109 ? 0.6566 0.6349 0.2612 0.2290 -0.0109 0.0526 332 ASN A C 807 O O . ASN A 109 ? 0.8089 0.7882 0.3953 0.2435 -0.0195 0.0503 332 ASN A O 808 C CB . ASN A 109 ? 0.6426 0.6253 0.2245 0.2413 -0.0335 0.0298 332 ASN A CB 809 C CG . ASN A 109 ? 0.9074 0.8955 0.4937 0.2371 -0.0379 0.0203 332 ASN A CG 810 O OD1 . ASN A 109 ? 0.9961 0.9750 0.5699 0.2403 -0.0269 0.0270 332 ASN A OD1 811 N ND2 . ASN A 109 ? 0.9080 0.9107 0.5158 0.2294 -0.0529 0.0041 332 ASN A ND2 812 N N . PRO A 110 ? 0.6544 0.6345 0.2833 0.2165 0.0047 0.0634 333 PRO A N 813 C CA . PRO A 110 ? 0.7094 0.6976 0.3516 0.2156 0.0119 0.0726 333 PRO A CA 814 C C . PRO A 110 ? 0.8107 0.7946 0.4256 0.2404 0.0215 0.0833 333 PRO A C 815 O O . PRO A 110 ? 0.8561 0.8291 0.4542 0.2544 0.0366 0.0910 333 PRO A O 816 C CB . PRO A 110 ? 0.6544 0.6478 0.3286 0.2024 0.0317 0.0822 333 PRO A CB 817 C CG . PRO A 110 ? 0.7015 0.6875 0.3800 0.1919 0.0290 0.0751 333 PRO A CG 818 C CD . PRO A 110 ? 0.6222 0.5975 0.2684 0.2050 0.0186 0.0678 333 PRO A CD 819 N N . ARG A 111 ? 0.9084 0.8981 0.5196 0.2453 0.0132 0.0835 334 ARG A N 820 C CA . ARG A 111 ? 0.9848 0.9718 0.5698 0.2695 0.0214 0.0943 334 ARG A CA 821 C C . ARG A 111 ? 0.9379 0.9107 0.4793 0.2920 0.0169 0.0905 334 ARG A C 822 O O . ARG A 111 ? 0.9315 0.8963 0.4488 0.3131 0.0319 0.1023 334 ARG A O 823 C CB . ARG A 111 ? 1.1298 1.1230 0.7337 0.2735 0.0509 0.1130 334 ARG A CB 824 C CG . ARG A 111 ? 1.2310 1.2456 0.8832 0.2522 0.0577 0.1178 334 ARG A CG 825 C CD . ARG A 111 ? 1.4040 1.4268 1.0585 0.2499 0.0442 0.1165 334 ARG A CD 826 N NE . ARG A 111 ? 1.5442 1.5663 1.1747 0.2755 0.0543 0.1289 334 ARG A NE 827 C CZ . ARG A 111 ? 1.6336 1.6558 1.2503 0.2820 0.0404 0.1272 334 ARG A CZ 828 N NH1 . ARG A 111 ? 1.6643 1.6840 1.2903 0.2645 0.0161 0.1119 334 ARG A NH1 829 N NH2 . ARG A 111 ? 1.6758 1.6975 1.2695 0.3067 0.0513 0.1399 334 ARG A NH2 830 N N . GLY A 112 ? 0.8357 0.8067 0.3699 0.2877 -0.0024 0.0738 335 GLY A N 831 C CA . GLY A 112 ? 0.9242 0.8878 0.4233 0.3065 -0.0089 0.0676 335 GLY A CA 832 C C . GLY A 112 ? 0.9618 0.9137 0.4544 0.3072 0.0077 0.0739 335 GLY A C 833 O O . GLY A 112 ? 0.9650 0.9111 0.4332 0.3184 0.0036 0.0685 335 GLY A O 834 N N . VAL A 113 ? 0.9517 0.8995 0.4689 0.2948 0.0265 0.0840 336 VAL A N 835 C CA . VAL A 113 ? 0.9127 0.8435 0.4286 0.2938 0.0431 0.0882 336 VAL A CA 836 C C . VAL A 113 ? 0.9361 0.8689 0.4610 0.2776 0.0291 0.0741 336 VAL A C 837 O O . VAL A 113 ? 0.8733 0.8217 0.4191 0.2621 0.0129 0.0636 336 VAL A O 838 C CB . VAL A 113 ? 0.9733 0.9015 0.5213 0.2841 0.0652 0.0986 336 VAL A CB 839 C CG1 . VAL A 113 ? 1.0631 0.9683 0.6129 0.2820 0.0808 0.0992 336 VAL A CG1 840 C CG2 . VAL A 113 ? 0.9973 0.9290 0.5449 0.3007 0.0830 0.1133 336 VAL A CG2 841 N N . SER A 114 ? 0.8617 0.7780 0.3730 0.2807 0.0362 0.0735 337 SER A N 842 C CA . SER A 114 ? 0.8546 0.7734 0.3827 0.2618 0.0273 0.0621 337 SER A CA 843 C C . SER A 114 ? 0.8982 0.7921 0.4370 0.2530 0.0468 0.0678 337 SER A C 844 O O . SER A 114 ? 0.9958 0.8671 0.5210 0.2671 0.0670 0.0781 337 SER A O 845 C CB . SER A 114 ? 0.8950 0.8211 0.4035 0.2698 0.0137 0.0516 337 SER A CB 846 O OG . SER A 114 ? 0.8666 0.8170 0.3747 0.2758 -0.0067 0.0410 337 SER A OG 847 N N . ALA A 115 ? 0.7490 0.6453 0.3140 0.2306 0.0414 0.0601 338 ALA A N 848 C CA . ALA A 115 ? 0.6605 0.5303 0.2386 0.2203 0.0572 0.0623 338 ALA A CA 849 C C . ALA A 115 ? 0.7189 0.5921 0.3123 0.1998 0.0458 0.0512 338 ALA A C 850 O O . ALA A 115 ? 0.6777 0.5767 0.2917 0.1856 0.0297 0.0435 338 ALA A O 851 C CB . ALA A 115 ? 0.6284 0.4981 0.2343 0.2118 0.0673 0.0672 338 ALA A CB 852 N N . TYR A 116 ? 0.7573 0.6034 0.3435 0.1977 0.0554 0.0502 339 TYR A N 853 C CA . TYR A 116 ? 0.7734 0.6226 0.3781 0.1761 0.0463 0.0402 339 TYR A CA 854 C C . TYR A 116 ? 0.7697 0.5820 0.3907 0.1613 0.0606 0.0402 339 TYR A C 855 O O . TYR A 116 ? 0.7984 0.5752 0.4079 0.1735 0.0803 0.0463 339 TYR A O 856 C CB . TYR A 116 ? 0.7216 0.5752 0.3060 0.1834 0.0410 0.0356 339 TYR A CB 857 C CG . TYR A 116 ? 0.8426 0.7237 0.4044 0.2048 0.0298 0.0353 339 TYR A CG 858 C CD1 . TYR A 116 ? 0.8729 0.7947 0.4510 0.2007 0.0097 0.0247 339 TYR A CD1 859 C CD2 . TYR A 116 ? 0.9291 0.7941 0.4550 0.2305 0.0400 0.0446 339 TYR A CD2 860 C CE1 . TYR A 116 ? 0.8884 0.8314 0.4473 0.2216 -0.0011 0.0217 339 TYR A CE1 861 C CE2 . TYR A 116 ? 0.9452 0.8331 0.4500 0.2502 0.0286 0.0435 339 TYR A CE2 862 C CZ . TYR A 116 ? 0.9577 0.8832 0.4790 0.2455 0.0074 0.0313 339 TYR A CZ 863 O OH . TYR A 116 ? 1.0294 0.9738 0.5311 0.2662 -0.0046 0.0276 339 TYR A OH 864 N N . LEU A 117 ? 0.6696 0.4897 0.3199 0.1361 0.0514 0.0323 340 LEU A N 865 C CA . LEU A 117 ? 0.5997 0.3841 0.2689 0.1197 0.0620 0.0299 340 LEU A CA 866 C C . LEU A 117 ? 0.7035 0.4919 0.3925 0.0951 0.0526 0.0207 340 LEU A C 867 O O . LEU A 117 ? 0.6832 0.5102 0.3949 0.0808 0.0365 0.0156 340 LEU A O 868 C CB . LEU A 117 ? 0.6114 0.4014 0.3049 0.1108 0.0616 0.0308 340 LEU A CB 869 C CG . LEU A 117 ? 0.6442 0.3973 0.3596 0.0945 0.0707 0.0261 340 LEU A CG 870 C CD1 . LEU A 117 ? 0.7528 0.4549 0.4531 0.1090 0.0930 0.0274 340 LEU A CD1 871 C CD2 . LEU A 117 ? 0.6216 0.3836 0.3593 0.0885 0.0698 0.0267 340 LEU A CD2 872 N N . SER A 118 ? 0.6684 0.4169 0.3526 0.0897 0.0637 0.0181 341 SER A N 873 C CA . SER A 118 ? 0.6087 0.3619 0.3144 0.0643 0.0558 0.0093 341 SER A CA 874 C C . SER A 118 ? 0.6773 0.4101 0.4185 0.0357 0.0558 0.0035 341 SER A C 875 O O . SER A 118 ? 0.7945 0.4983 0.5392 0.0382 0.0648 0.0051 341 SER A O 876 C CB . SER A 118 ? 0.7611 0.4809 0.4438 0.0703 0.0668 0.0084 341 SER A CB 877 O OG . SER A 118 ? 0.7672 0.4245 0.4405 0.0754 0.0871 0.0097 341 SER A OG 878 N N . ARG A 119 ? 0.5078 0.2594 0.2788 0.0088 0.0456 -0.0040 342 ARG A N 879 C CA . ARG A 119 ? 0.4974 0.2231 0.3022 -0.0211 0.0461 -0.0104 342 ARG A CA 880 C C . ARG A 119 ? 0.5683 0.2389 0.3674 -0.0301 0.0589 -0.0154 342 ARG A C 881 O O . ARG A 119 ? 0.6319 0.2971 0.4047 -0.0161 0.0644 -0.0138 342 ARG A O 882 C CB . ARG A 119 ? 0.5086 0.2867 0.3557 -0.0475 0.0293 -0.0155 342 ARG A CB 883 C CG . ARG A 119 ? 0.5524 0.3758 0.4082 -0.0404 0.0185 -0.0120 342 ARG A CG 884 C CD . ARG A 119 ? 0.5467 0.4196 0.4488 -0.0649 0.0051 -0.0172 342 ARG A CD 885 N NE . ARG A 119 ? 0.7564 0.6806 0.6693 -0.0612 -0.0022 -0.0213 342 ARG A NE 886 C CZ . ARG A 119 ? 0.8553 0.8373 0.8013 -0.0658 -0.0128 -0.0252 342 ARG A CZ 887 N NH1 . ARG A 119 ? 0.8620 0.8559 0.8296 -0.0748 -0.0174 -0.0239 342 ARG A NH1 888 N NH2 . ARG A 119 ? 0.9363 0.9643 0.8951 -0.0594 -0.0179 -0.0312 342 ARG A NH2 889 N N . PRO A 120 ? 0.4326 0.3042 0.4976 -0.0276 0.0771 -0.0472 343 PRO A N 890 C CA . PRO A 120 ? 0.3841 0.2658 0.4631 -0.0435 0.0786 -0.0651 343 PRO A CA 891 C C . PRO A 120 ? 0.3993 0.3062 0.4983 -0.0455 0.0718 -0.0640 343 PRO A C 892 O O . PRO A 120 ? 0.3933 0.3129 0.5017 -0.0367 0.0612 -0.0547 343 PRO A O 893 C CB . PRO A 120 ? 0.3914 0.2785 0.4840 -0.0486 0.0690 -0.0843 343 PRO A CB 894 C CG . PRO A 120 ? 0.4353 0.3026 0.5094 -0.0376 0.0679 -0.0774 343 PRO A CG 895 C CD . PRO A 120 ? 0.4749 0.3416 0.5404 -0.0227 0.0686 -0.0543 343 PRO A CD 896 N N . SER A 121 ? 0.4620 0.3749 0.5663 -0.0572 0.0780 -0.0731 344 SER A N 897 C CA . SER A 121 ? 0.4506 0.3857 0.5726 -0.0598 0.0709 -0.0756 344 SER A CA 898 C C . SER A 121 ? 0.3717 0.3247 0.5184 -0.0624 0.0582 -0.0929 344 SER A C 899 O O . SER A 121 ? 0.3963 0.3476 0.5481 -0.0686 0.0591 -0.1075 344 SER A O 900 C CB . SER A 121 ? 0.5279 0.4629 0.6457 -0.0702 0.0825 -0.0799 344 SER A CB 901 O OG . SER A 121 ? 0.5617 0.5062 0.6947 -0.0816 0.0834 -0.1005 344 SER A OG 902 N N . PRO A 122 ? 0.3533 0.3228 0.5147 -0.0577 0.0458 -0.0908 345 PRO A N 903 C CA . PRO A 122 ? 0.3222 0.3082 0.5064 -0.0588 0.0341 -0.1068 345 PRO A CA 904 C C . PRO A 122 ? 0.3798 0.3750 0.5754 -0.0706 0.0398 -0.1259 345 PRO A C 905 O O . PRO A 122 ? 0.4404 0.4452 0.6515 -0.0728 0.0342 -0.1405 345 PRO A O 906 C CB . PRO A 122 ? 0.3122 0.3101 0.5056 -0.0532 0.0228 -0.0995 345 PRO A CB 907 C CG . PRO A 122 ? 0.3372 0.3250 0.5144 -0.0455 0.0245 -0.0769 345 PRO A CG 908 C CD . PRO A 122 ? 0.3374 0.3099 0.4948 -0.0498 0.0408 -0.0724 345 PRO A CD 909 N N . PHE A 123 ? 0.3341 0.3272 0.5222 -0.0777 0.0511 -0.1253 346 PHE A N 910 C CA . PHE A 123 ? 0.3586 0.3612 0.5575 -0.0889 0.0583 -0.1422 346 PHE A CA 911 C C . PHE A 123 ? 0.4447 0.4399 0.6428 -0.0963 0.0648 -0.1513 346 PHE A C 912 O O . PHE A 123 ? 0.4198 0.4292 0.6368 -0.1018 0.0616 -0.1672 346 PHE A O 913 C CB . PHE A 123 ? 0.3945 0.3936 0.5819 -0.0947 0.0706 -0.1383 346 PHE A CB 914 C CG . PHE A 123 ? 0.4882 0.4981 0.6867 -0.1057 0.0794 -0.1545 346 PHE A CG 915 C CD1 . PHE A 123 ? 0.4946 0.5249 0.7135 -0.1056 0.0729 -0.1673 346 PHE A CD1 916 C CD2 . PHE A 123 ? 0.5265 0.5257 0.7149 -0.1158 0.0949 -0.1565 346 PHE A CD2 917 C CE1 . PHE A 123 ? 0.5533 0.5957 0.7836 -0.1146 0.0820 -0.1813 346 PHE A CE1 918 C CE2 . PHE A 123 ? 0.5453 0.5564 0.7457 -0.1264 0.1038 -0.1703 346 PHE A CE2 919 C CZ . PHE A 123 ? 0.5213 0.5552 0.7432 -0.1254 0.0976 -0.1825 346 PHE A CZ 920 N N . ASP A 124 ? 0.4076 0.3802 0.5832 -0.0962 0.0735 -0.1407 347 ASP A N 921 C CA . ASP A 124 ? 0.4840 0.4435 0.6535 -0.1038 0.0797 -0.1480 347 ASP A CA 922 C C . ASP A 124 ? 0.4391 0.4036 0.6196 -0.0998 0.0665 -0.1558 347 ASP A C 923 O O . ASP A 124 ? 0.4956 0.4615 0.6832 -0.1088 0.0667 -0.1691 347 ASP A O 924 C CB . ASP A 124 ? 0.5712 0.5015 0.7106 -0.1012 0.0908 -0.1331 347 ASP A CB 925 C CG . ASP A 124 ? 0.6379 0.5598 0.7641 -0.1081 0.1064 -0.1279 347 ASP A CG 926 O OD1 . ASP A 124 ? 0.5682 0.4683 0.6697 -0.1033 0.1152 -0.1129 347 ASP A OD1 927 O OD2 . ASP A 124 ? 0.6165 0.5537 0.7566 -0.1173 0.1102 -0.1383 347 ASP A OD2 928 N N . LEU A 125 ? 0.4000 0.3675 0.5817 -0.0866 0.0547 -0.1469 348 LEU A N 929 C CA . LEU A 125 ? 0.4968 0.4665 0.6850 -0.0805 0.0422 -0.1516 348 LEU A CA 930 C C . LEU A 125 ? 0.5262 0.5225 0.7434 -0.0826 0.0309 -0.1678 348 LEU A C 931 O O . LEU A 125 ? 0.4972 0.4982 0.7231 -0.0856 0.0249 -0.1795 348 LEU A O 932 C CB . LEU A 125 ? 0.4445 0.4072 0.6226 -0.0652 0.0350 -0.1345 348 LEU A CB 933 C CG . LEU A 125 ? 0.4493 0.4113 0.6298 -0.0568 0.0227 -0.1367 348 LEU A CG 934 C CD1 . LEU A 125 ? 0.4021 0.3449 0.5669 -0.0618 0.0277 -0.1430 348 LEU A CD1 935 C CD2 . LEU A 125 ? 0.4928 0.4491 0.6639 -0.0418 0.0176 -0.1176 348 LEU A CD2 936 N N . PHE A 126 ? 0.3932 0.4063 0.6244 -0.0807 0.0279 -0.1685 349 PHE A N 937 C CA . PHE A 126 ? 0.4582 0.4953 0.7156 -0.0792 0.0167 -0.1818 349 PHE A CA 938 C C . PHE A 126 ? 0.4982 0.5529 0.7726 -0.0901 0.0236 -0.1966 349 PHE A C 939 O O . PHE A 126 ? 0.5257 0.6002 0.8221 -0.0912 0.0169 -0.2103 349 PHE A O 940 C CB . PHE A 126 ? 0.4181 0.4613 0.6801 -0.0679 0.0065 -0.1735 349 PHE A CB 941 C CG . PHE A 126 ? 0.4226 0.4527 0.6719 -0.0568 -0.0008 -0.1585 349 PHE A CG 942 C CD1 . PHE A 126 ? 0.4479 0.4776 0.7003 -0.0509 -0.0102 -0.1616 349 PHE A CD1 943 C CD2 . PHE A 126 ? 0.4188 0.4384 0.6535 -0.0518 0.0016 -0.1407 349 PHE A CD2 944 C CE1 . PHE A 126 ? 0.3351 0.3530 0.5751 -0.0399 -0.0157 -0.1472 349 PHE A CE1 945 C CE2 . PHE A 126 ? 0.4082 0.4184 0.6332 -0.0412 -0.0042 -0.1259 349 PHE A CE2 946 C CZ . PHE A 126 ? 0.4136 0.4224 0.6408 -0.0349 -0.0123 -0.1290 349 PHE A CZ 947 N N . ILE A 127 ? 0.4975 0.5460 0.7619 -0.0973 0.0372 -0.1932 350 ILE A N 948 C CA . ILE A 127 ? 0.4995 0.5645 0.7786 -0.1070 0.0455 -0.2057 350 ILE A CA 949 C C . ILE A 127 ? 0.5165 0.5765 0.7932 -0.1211 0.0574 -0.2122 350 ILE A C 950 O O . ILE A 127 ? 0.5154 0.5934 0.8125 -0.1287 0.0571 -0.2262 350 ILE A O 951 C CB . ILE A 127 ? 0.4718 0.5348 0.7419 -0.1066 0.0534 -0.1993 350 ILE A CB 952 C CG1 . ILE A 127 ? 0.5024 0.5674 0.7728 -0.0943 0.0409 -0.1921 350 ILE A CG1 953 C CG2 . ILE A 127 ? 0.5418 0.6227 0.8271 -0.1149 0.0623 -0.2124 350 ILE A CG2 954 C CD1 . ILE A 127 ? 0.5028 0.5866 0.7963 -0.0878 0.0274 -0.2030 350 ILE A CD1 955 N N . ARG A 128 ? 0.5276 0.5628 0.7792 -0.1246 0.0679 -0.2013 351 ARG A N 956 C CA . ARG A 128 ? 0.5075 0.5317 0.7518 -0.1387 0.0806 -0.2055 351 ARG A CA 957 C C . ARG A 128 ? 0.5774 0.5949 0.8221 -0.1415 0.0734 -0.2113 351 ARG A C 958 O O . ARG A 128 ? 0.5987 0.6146 0.8465 -0.1553 0.0796 -0.2202 351 ARG A O 959 C CB . ARG A 128 ? 0.5902 0.5873 0.8047 -0.1391 0.0937 -0.1906 351 ARG A CB 960 C CG . ARG A 128 ? 0.7390 0.7235 0.9440 -0.1541 0.1101 -0.1936 351 ARG A CG 961 C CD . ARG A 128 ? 0.9082 0.8678 1.0839 -0.1514 0.1225 -0.1774 351 ARG A CD 962 N NE . ARG A 128 ? 1.1385 1.0841 1.3033 -0.1655 0.1396 -0.1790 351 ARG A NE 963 C CZ . ARG A 128 ? 1.3052 1.2296 1.4449 -0.1651 0.1529 -0.1662 351 ARG A CZ 964 N NH1 . ARG A 128 ? 1.3199 1.2371 1.4444 -0.1515 0.1504 -0.1510 351 ARG A NH1 965 N NH2 . ARG A 128 ? 1.3893 1.3000 1.5193 -0.1784 0.1686 -0.1681 351 ARG A NH2 966 N N . LYS A 129 ? 0.6073 0.6203 0.8480 -0.1289 0.0602 -0.2060 352 LYS A N 967 C CA . LYS A 129 ? 0.5651 0.5700 0.8027 -0.1292 0.0517 -0.2107 352 LYS A CA 968 C C . LYS A 129 ? 0.6414 0.6149 0.8519 -0.1372 0.0626 -0.2065 352 LYS A C 969 O O . LYS A 129 ? 0.6203 0.5880 0.8303 -0.1457 0.0599 -0.2158 352 LYS A O 970 C CB . LYS A 129 ? 0.7257 0.7577 0.9926 -0.1372 0.0438 -0.2288 352 LYS A CB 971 C CG . LYS A 129 ? 0.8488 0.9108 1.1422 -0.1282 0.0330 -0.2341 352 LYS A CG 972 C CD . LYS A 129 ? 0.9490 1.0099 1.2411 -0.1129 0.0168 -0.2296 352 LYS A CD 973 C CE . LYS A 129 ? 1.0152 1.1054 1.3351 -0.1052 0.0055 -0.2374 352 LYS A CE 974 N NZ . LYS A 129 ? 1.0350 1.1236 1.3536 -0.0904 -0.0101 -0.2327 352 LYS A NZ 975 N N . SER A 130 ? 0.5018 0.4544 0.6891 -0.1345 0.0747 -0.1925 353 SER A N 976 C CA . SER A 130 ? 0.5614 0.4797 0.7186 -0.1386 0.0855 -0.1860 353 SER A CA 977 C C . SER A 130 ? 0.5627 0.4606 0.6945 -0.1242 0.0903 -0.1658 353 SER A C 978 O O . SER A 130 ? 0.5228 0.4094 0.6406 -0.1259 0.1034 -0.1565 353 SER A O 979 C CB . SER A 130 ? 0.6616 0.5743 0.8172 -0.1563 0.1009 -0.1920 353 SER A CB 980 O OG . SER A 130 ? 0.7625 0.6768 0.9137 -0.1552 0.1122 -0.1830 353 SER A OG 981 N N . PRO A 131 ? 0.5675 0.4619 0.6938 -0.1095 0.0794 -0.1582 354 PRO A N 982 C CA . PRO A 131 ? 0.6192 0.4989 0.7250 -0.0944 0.0821 -0.1379 354 PRO A CA 983 C C . PRO A 131 ? 0.5671 0.4108 0.6391 -0.0938 0.0959 -0.1283 354 PRO A C 984 O O . PRO A 131 ? 0.5631 0.3876 0.6229 -0.1000 0.0975 -0.1364 354 PRO A O 985 C CB . PRO A 131 ? 0.5762 0.4616 0.6869 -0.0814 0.0669 -0.1359 354 PRO A CB 986 C CG . PRO A 131 ? 0.5977 0.4853 0.7171 -0.0904 0.0598 -0.1541 354 PRO A CG 987 C CD . PRO A 131 ? 0.5221 0.4302 0.6640 -0.1059 0.0632 -0.1682 354 PRO A CD 988 N N . THR A 132 ? 0.5030 0.3371 0.5592 -0.0863 0.1054 -0.1110 355 THR A N 989 C CA . THR A 132 ? 0.5803 0.3796 0.6027 -0.0821 0.1190 -0.0989 355 THR A CA 990 C C . THR A 132 ? 0.5442 0.3408 0.5545 -0.0634 0.1192 -0.0765 355 THR A C 991 O O . THR A 132 ? 0.5410 0.3623 0.5688 -0.0580 0.1116 -0.0702 355 THR A O 992 C CB . THR A 132 ? 0.6453 0.4338 0.6582 -0.0939 0.1351 -0.0990 355 THR A CB 993 O OG1 . THR A 132 ? 0.5769 0.3830 0.5974 -0.0897 0.1371 -0.0883 355 THR A OG1 994 C CG2 . THR A 132 ? 0.6396 0.4380 0.6703 -0.1137 0.1354 -0.1199 355 THR A CG2 995 N N . ILE A 133 ? 0.5566 0.3230 0.5368 -0.0536 0.1279 -0.0643 356 ILE A N 996 C CA . ILE A 133 ? 0.5303 0.2946 0.4984 -0.0359 0.1309 -0.0410 356 ILE A CA 997 C C . ILE A 133 ? 0.5038 0.2403 0.4426 -0.0336 0.1490 -0.0287 356 ILE A C 998 O O . ILE A 133 ? 0.5779 0.2869 0.4980 -0.0422 0.1588 -0.0370 356 ILE A O 999 C CB . ILE A 133 ? 0.5351 0.2923 0.4946 -0.0200 0.1239 -0.0332 356 ILE A CB 1000 C CG1 . ILE A 133 ? 0.5917 0.3122 0.5227 -0.0203 0.1307 -0.0397 356 ILE A CG1 1001 C CG2 . ILE A 133 ? 0.4947 0.2799 0.4829 -0.0206 0.1060 -0.0430 356 ILE A CG2 1002 C CD1 . ILE A 133 ? 0.6136 0.3258 0.5345 -0.0051 0.1236 -0.0347 356 ILE A CD1 1003 N N . THR A 134 ? 0.5393 0.2831 0.4742 -0.0224 0.1530 -0.0086 357 THR A N 1004 C CA . THR A 134 ? 0.5950 0.3159 0.5038 -0.0191 0.1699 0.0047 357 THR A CA 1005 C C . THR A 134 ? 0.5711 0.2804 0.4595 0.0024 0.1753 0.0289 357 THR A C 1006 O O . THR A 134 ? 0.5384 0.2716 0.4406 0.0134 0.1669 0.0426 357 THR A O 1007 C CB . THR A 134 ? 0.5828 0.3224 0.5031 -0.0273 0.1728 0.0068 357 THR A CB 1008 O OG1 . THR A 134 ? 0.5926 0.3411 0.5298 -0.0466 0.1705 -0.0153 357 THR A OG1 1009 C CG2 . THR A 134 ? 0.5953 0.3103 0.4870 -0.0231 0.1905 0.0212 357 THR A CG2 1010 N N . CYS A 135 ? 0.6488 0.3207 0.5041 0.0080 0.1898 0.0342 358 CYS A N 1011 C CA . CYS A 135 ? 0.6421 0.2994 0.4742 0.0294 0.1986 0.0579 358 CYS A CA 1012 C C . CYS A 135 ? 0.7798 0.4283 0.5963 0.0319 0.2129 0.0722 358 CYS A C 1013 O O . CYS A 135 ? 0.7217 0.3446 0.5208 0.0216 0.2246 0.0644 358 CYS A O 1014 C CB . CYS A 135 ? 0.7362 0.3543 0.5378 0.0374 0.2054 0.0555 358 CYS A CB 1015 S SG . CYS A 135 ? 0.8479 0.4496 0.6215 0.0669 0.2166 0.0852 358 CYS A SG 1016 N N . LEU A 136 ? 0.7621 0.4327 0.5855 0.0451 0.2115 0.0937 359 LEU A N 1017 C CA . LEU A 136 ? 0.8164 0.4842 0.6272 0.0493 0.2231 0.1096 359 LEU A CA 1018 C C . LEU A 136 ? 0.7619 0.4194 0.5520 0.0734 0.2322 0.1360 359 LEU A C 1019 O O . LEU A 136 ? 0.7140 0.3916 0.5161 0.0864 0.2240 0.1483 359 LEU A O 1020 C CB . LEU A 136 ? 0.7455 0.4531 0.5847 0.0419 0.2124 0.1121 359 LEU A CB 1021 C CG . LEU A 136 ? 0.7948 0.5047 0.6227 0.0472 0.2219 0.1302 359 LEU A CG 1022 C CD1 . LEU A 136 ? 0.8140 0.4920 0.6181 0.0373 0.2378 0.1217 359 LEU A CD1 1023 C CD2 . LEU A 136 ? 0.7518 0.5014 0.6072 0.0404 0.2086 0.1322 359 LEU A CD2 1024 N N . VAL A 137 ? 0.8165 0.4427 0.5753 0.0799 0.2497 0.1453 360 VAL A N 1025 C CA . VAL A 137 ? 0.8855 0.4998 0.6220 0.1043 0.2608 0.1712 360 VAL A CA 1026 C C . VAL A 137 ? 0.8868 0.5059 0.6156 0.1081 0.2699 0.1878 360 VAL A C 1027 O O . VAL A 137 ? 0.8869 0.4847 0.6011 0.0968 0.2795 0.1793 360 VAL A O 1028 C CB . VAL A 137 ? 0.9251 0.4885 0.6231 0.1128 0.2754 0.1684 360 VAL A CB 1029 C CG1 . VAL A 137 ? 0.9414 0.4974 0.6207 0.1413 0.2843 0.1946 360 VAL A CG1 1030 C CG2 . VAL A 137 ? 0.9521 0.5049 0.6549 0.1013 0.2664 0.1446 360 VAL A CG2 1031 N N . VAL A 138 ? 0.8764 0.5243 0.6154 0.1237 0.2668 0.2120 361 VAL A N 1032 C CA . VAL A 138 ? 0.8872 0.5451 0.6214 0.1278 0.2730 0.2289 361 VAL A CA 1033 C C . VAL A 138 ? 0.8760 0.5272 0.5900 0.1546 0.2851 0.2585 361 VAL A C 1034 O O . VAL A 138 ? 0.8890 0.5449 0.6044 0.1710 0.2841 0.2701 361 VAL A O 1035 C CB . VAL A 138 ? 0.8575 0.5638 0.6269 0.1178 0.2556 0.2305 361 VAL A CB 1036 C CG1 . VAL A 138 ? 0.8393 0.5539 0.6298 0.0936 0.2436 0.2019 361 VAL A CG1 1037 C CG2 . VAL A 138 ? 0.8480 0.5890 0.6390 0.1317 0.2443 0.2492 361 VAL A CG2 1038 N N . ASP A 139 ? 0.9017 0.5421 0.5966 0.1596 0.2972 0.2711 362 ASP A N 1039 C CA . ASP A 139 ? 0.9831 0.6251 0.6651 0.1865 0.3078 0.2967 362 ASP A CA 1040 C C . ASP A 139 ? 1.0475 0.6431 0.6932 0.2048 0.3261 0.3003 362 ASP A C 1041 O O . ASP A 139 ? 1.0819 0.6855 0.7250 0.2303 0.3321 0.3183 362 ASP A O 1042 C CB . ASP A 139 ? 0.9107 0.6052 0.6273 0.1995 0.2939 0.3128 362 ASP A CB 1043 C CG . ASP A 139 ? 1.0364 0.7741 0.7803 0.1891 0.2800 0.3183 362 ASP A CG 1044 O OD1 . ASP A 139 ? 0.9692 0.7495 0.7459 0.1883 0.2636 0.3243 362 ASP A OD1 1045 O OD2 . ASP A 139 ? 1.1339 0.8615 0.8648 0.1814 0.2855 0.3170 362 ASP A OD2 1046 N N . LEU A 140 ? 1.0500 0.5968 0.6670 0.1916 0.3355 0.2839 363 LEU A N 1047 C CA . LEU A 140 ? 1.3998 0.8955 0.9760 0.2079 0.3538 0.2875 363 LEU A CA 1048 C C . LEU A 140 ? 1.6515 1.1139 1.1956 0.2128 0.3720 0.2943 363 LEU A C 1049 O O . LEU A 140 ? 1.6464 1.1085 1.1923 0.1940 0.3720 0.2870 363 LEU A O 1050 C CB . LEU A 140 ? 1.4733 0.9356 1.0388 0.1947 0.3521 0.2621 363 LEU A CB 1051 C CG . LEU A 140 ? 1.4422 0.9073 1.0255 0.1632 0.3416 0.2322 363 LEU A CG 1052 C CD1 . LEU A 140 ? 1.5933 1.0180 1.1490 0.1513 0.3561 0.2233 363 LEU A CD1 1053 C CD2 . LEU A 140 ? 1.3420 0.7961 0.9291 0.1553 0.3329 0.2116 363 LEU A CD2 1054 N N . ALA A 141 ? 1.8886 1.3234 1.4031 0.2391 0.3883 0.3091 364 ALA A N 1055 C CA . ALA A 141 ? 2.0784 1.4817 1.5610 0.2486 0.4066 0.3192 364 ALA A CA 1056 C C . ALA A 141 ? 2.2446 1.5892 1.6924 0.2279 0.4179 0.3023 364 ALA A C 1057 O O . ALA A 141 ? 2.2962 1.6091 1.7309 0.2184 0.4178 0.2856 364 ALA A O 1058 C CB . ALA A 141 ? 2.1131 1.5010 1.5723 0.2835 0.4218 0.3396 364 ALA A CB 1059 N N . PRO A 142 ? 2.3389 1.6712 1.7742 0.2209 0.4269 0.3045 365 PRO A N 1060 C CA . PRO A 142 ? 2.4040 1.6844 1.8100 0.2007 0.4385 0.2881 365 PRO A CA 1061 C C . PRO A 142 ? 2.4412 1.6556 1.7960 0.2166 0.4592 0.2931 365 PRO A C 1062 O O . PRO A 142 ? 2.5084 1.6785 1.8340 0.2071 0.4729 0.2866 365 PRO A O 1063 C CB . PRO A 142 ? 2.4315 1.7248 1.8395 0.1941 0.4428 0.2962 365 PRO A CB 1064 C CG . PRO A 142 ? 2.3903 1.7508 1.8394 0.2039 0.4266 0.3079 365 PRO A CG 1065 C CD . PRO A 142 ? 2.3591 1.7330 1.8139 0.2296 0.4238 0.3201 365 PRO A CD 1066 N N . SER A 143 ? 2.3968 1.6033 1.7399 0.2405 0.4618 0.3046 366 SER A N 1067 C CA . SER A 143 ? 2.4394 1.5812 1.7314 0.2578 0.4813 0.3092 366 SER A CA 1068 C C . SER A 143 ? 2.4514 1.5430 1.7230 0.2334 0.4832 0.2797 366 SER A C 1069 O O . SER A 143 ? 2.4070 1.5183 1.7069 0.2044 0.4694 0.2568 366 SER A O 1070 C CB . SER A 143 ? 2.4401 1.5900 1.7296 0.2874 0.4814 0.3215 366 SER A CB 1071 O OG . SER A 143 ? 2.4039 1.5711 1.7157 0.2751 0.4650 0.3066 366 SER A OG 1072 N N . LYS A 144 ? 2.5019 1.5285 1.7240 0.2453 0.5002 0.2806 367 LYS A N 1073 C CA . LYS A 144 ? 2.5085 1.4824 1.7068 0.2225 0.5024 0.2536 367 LYS A CA 1074 C C . LYS A 144 ? 2.4776 1.4661 1.6962 0.2118 0.4850 0.2334 367 LYS A C 1075 O O . LYS A 144 ? 2.4465 1.4849 1.6972 0.2221 0.4720 0.2406 367 LYS A O 1076 C CB . LYS A 144 ? 2.5731 1.4706 1.7099 0.2398 0.5248 0.2606 367 LYS A CB 1077 C CG . LYS A 144 ? 2.6008 1.4868 1.7148 0.2761 0.5318 0.2795 367 LYS A CG 1078 C CD . LYS A 144 ? 2.7036 1.5086 1.7532 0.2924 0.5546 0.2845 367 LYS A CD 1079 C CE . LYS A 144 ? 2.7543 1.5371 1.7829 0.2955 0.5715 0.2988 367 LYS A CE 1080 N NZ . LYS A 144 ? 2.8423 1.5407 1.8061 0.3087 0.5939 0.3018 367 LYS A NZ 1081 N N . GLY A 145 ? 2.4530 1.3977 1.6524 0.1907 0.4845 0.2086 368 GLY A N 1082 C CA . GLY A 145 ? 2.3465 1.3016 1.5627 0.1785 0.4676 0.1875 368 GLY A CA 1083 C C . GLY A 145 ? 2.1941 1.2095 1.4662 0.1520 0.4472 0.1721 368 GLY A C 1084 O O . GLY A 145 ? 2.1948 1.2565 1.4976 0.1513 0.4437 0.1829 368 GLY A O 1085 N N . THR A 146 ? 2.0492 1.0636 1.3333 0.1307 0.4335 0.1466 369 THR A N 1086 C CA . THR A 146 ? 1.9044 0.9728 1.2399 0.1056 0.4143 0.1301 369 THR A CA 1087 C C . THR A 146 ? 1.7898 0.9073 1.1585 0.1162 0.3969 0.1324 369 THR A C 1088 O O . THR A 146 ? 1.7767 0.8776 1.1264 0.1351 0.3971 0.1372 369 THR A O 1089 C CB . THR A 146 ? 1.9272 0.9716 1.2620 0.0734 0.4083 0.1003 369 THR A CB 1090 O OG1 . THR A 146 ? 1.9889 0.9897 1.2916 0.0788 0.4079 0.0909 369 THR A OG1 1091 C CG2 . THR A 146 ? 1.9601 0.9680 1.2738 0.0569 0.4235 0.0971 369 THR A CG2 1092 N N . VAL A 147 ? 1.6946 0.8710 1.1114 0.1041 0.3823 0.1292 370 VAL A N 1093 C CA . VAL A 147 ? 1.6067 0.8308 1.0582 0.1103 0.3645 0.1294 370 VAL A CA 1094 C C . VAL A 147 ? 1.5292 0.7528 0.9937 0.0894 0.3496 0.1019 370 VAL A C 1095 O O . VAL A 147 ? 1.5486 0.7866 1.0362 0.0629 0.3422 0.0831 370 VAL A O 1096 C CB . VAL A 147 ? 1.5176 0.8038 1.0140 0.1065 0.3543 0.1374 370 VAL A CB 1097 C CG1 . VAL A 147 ? 1.4574 0.7893 0.9892 0.1102 0.3352 0.1356 370 VAL A CG1 1098 C CG2 . VAL A 147 ? 1.5629 0.8546 1.0486 0.1280 0.3668 0.1658 370 VAL A CG2 1099 N N . GLN A 148 ? 1.4288 0.6360 0.8777 0.1021 0.3457 0.1000 371 GLN A N 1100 C CA . GLN A 148 ? 1.4567 0.6656 0.9175 0.0851 0.3301 0.0754 371 GLN A CA 1101 C C . GLN A 148 ? 1.3348 0.6055 0.8442 0.0837 0.3107 0.0740 371 GLN A C 1102 O O . GLN A 148 ? 1.2421 0.5366 0.7595 0.1055 0.3084 0.0920 371 GLN A O 1103 C CB . GLN A 148 ? 1.5854 0.7470 1.0051 0.0990 0.3339 0.0729 371 GLN A CB 1104 C CG . GLN A 148 ? 1.8043 0.8981 1.1744 0.0944 0.3498 0.0669 371 GLN A CG 1105 C CD . GLN A 148 ? 1.9673 1.0129 1.2945 0.1086 0.3524 0.0634 371 GLN A CD 1106 O OE1 . GLN A 148 ? 1.9924 1.0556 1.3305 0.1143 0.3391 0.0583 371 GLN A OE1 1107 N NE2 . GLN A 148 ? 2.0614 1.0438 1.3376 0.1148 0.3699 0.0661 371 GLN A NE2 1108 N N . LEU A 149 ? 1.2760 0.5722 0.8176 0.0579 0.2973 0.0530 372 LEU A N 1109 C CA . LEU A 149 ? 1.1487 0.5005 0.7358 0.0545 0.2787 0.0493 372 LEU A CA 1110 C C . LEU A 149 ? 1.1952 0.5476 0.7939 0.0364 0.2637 0.0234 372 LEU A C 1111 O O . LEU A 149 ? 1.2640 0.6194 0.8766 0.0116 0.2600 0.0047 372 LEU A O 1112 C CB . LEU A 149 ? 1.1250 0.5173 0.7462 0.0427 0.2763 0.0517 372 LEU A CB 1113 C CG . LEU A 149 ? 1.1044 0.5533 0.7722 0.0386 0.2576 0.0483 372 LEU A CG 1114 C CD1 . LEU A 149 ? 1.1627 0.6202 0.8313 0.0573 0.2490 0.0558 372 LEU A CD1 1115 C CD2 . LEU A 149 ? 1.0505 0.5338 0.7390 0.0420 0.2592 0.0640 372 LEU A CD2 1116 N N . THR A 150 ? 1.1693 0.3820 0.7515 -0.1038 0.3206 0.0738 373 THR A N 1117 C CA . THR A 150 ? 1.1206 0.3963 0.7478 -0.1310 0.3135 0.0186 373 THR A CA 1118 C C . THR A 150 ? 1.0131 0.3774 0.6650 -0.1224 0.2555 0.0185 373 THR A C 1119 O O . THR A 150 ? 0.9714 0.3570 0.6118 -0.0935 0.2177 0.0580 373 THR A O 1120 C CB . THR A 150 ? 1.1557 0.4347 0.8058 -0.1380 0.3363 -0.0109 373 THR A CB 1121 O OG1 . THR A 150 ? 1.1485 0.4515 0.7977 -0.1076 0.3041 0.0199 373 THR A OG1 1122 C CG2 . THR A 150 ? 1.2099 0.3984 0.8355 -0.1499 0.3969 -0.0159 373 THR A CG2 1123 N N . TRP A 151 ? 1.0195 0.4347 0.7016 -0.1479 0.2500 -0.0278 374 TRP A N 1124 C CA . TRP A 151 ? 0.9483 0.4449 0.6528 -0.1424 0.1979 -0.0330 374 TRP A CA 1125 C C . TRP A 151 ? 0.8472 0.4127 0.5937 -0.1488 0.1869 -0.0722 374 TRP A C 1126 O O . TRP A 151 ? 0.8716 0.4307 0.6364 -0.1681 0.2250 -0.1103 374 TRP A O 1127 C CB . TRP A 151 ? 0.9051 0.4164 0.6109 -0.1642 0.1950 -0.0568 374 TRP A CB 1128 C CG . TRP A 151 ? 0.9139 0.3777 0.5885 -0.1567 0.1963 -0.0169 374 TRP A CG 1129 C CD1 . TRP A 151 ? 0.9573 0.3525 0.6096 -0.1709 0.2387 -0.0148 374 TRP A CD1 1130 C CD2 . TRP A 151 ? 0.8854 0.3714 0.5502 -0.1333 0.1542 0.0264 374 TRP A CD2 1131 N NE1 . TRP A 151 ? 1.0509 0.4286 0.6840 -0.1570 0.2252 0.0278 374 TRP A NE1 1132 C CE2 . TRP A 151 ? 1.0040 0.4378 0.6449 -0.1340 0.1745 0.0532 374 TRP A CE2 1133 C CE3 . TRP A 151 ? 0.8970 0.4432 0.5712 -0.1125 0.1026 0.0448 374 TRP A CE3 1134 C CZ2 . TRP A 151 ? 0.8804 0.3261 0.5110 -0.1142 0.1462 0.0966 374 TRP A CZ2 1135 C CZ3 . TRP A 151 ? 0.8579 0.4100 0.5169 -0.0939 0.0750 0.0874 374 TRP A CZ3 1136 C CH2 . TRP A 151 ? 0.7667 0.2714 0.4061 -0.0947 0.0975 0.1125 374 TRP A CH2 1137 N N . SER A 152 ? 0.7333 0.3673 0.4962 -0.1328 0.1358 -0.0629 375 SER A N 1138 C CA . SER A 152 ? 0.7436 0.4547 0.5505 -0.1371 0.1201 -0.0984 375 SER A CA 1139 C C . SER A 152 ? 0.7383 0.5212 0.5567 -0.1249 0.0636 -0.0926 375 SER A C 1140 O O . SER A 152 ? 0.7548 0.5265 0.5463 -0.1068 0.0321 -0.0509 375 SER A O 1141 C CB . SER A 152 ? 0.7712 0.4810 0.5893 -0.1227 0.1230 -0.0845 375 SER A CB 1142 O OG . SER A 152 ? 0.7274 0.4190 0.5143 -0.0926 0.0903 -0.0286 375 SER A OG 1143 N N . ARG A 153 ? 0.7423 0.6004 0.6009 -0.1346 0.0530 -0.1352 376 ARG A N 1144 C CA . ARG A 153 ? 0.6916 0.6207 0.5633 -0.1219 -0.0001 -0.1321 376 ARG A CA 1145 C C . ARG A 153 ? 0.6891 0.6685 0.5887 -0.1060 -0.0252 -0.1237 376 ARG A C 1146 O O . ARG A 153 ? 0.6491 0.6389 0.5776 -0.1139 0.0020 -0.1462 376 ARG A O 1147 C CB . ARG A 153 ? 0.5820 0.5659 0.4756 -0.1418 0.0026 -0.1863 376 ARG A CB 1148 C CG . ARG A 153 ? 0.6994 0.6434 0.5641 -0.1580 0.0177 -0.1952 376 ARG A CG 1149 C CD . ARG A 153 ? 0.7575 0.7477 0.6423 -0.1827 0.0404 -0.2564 376 ARG A CD 1150 N NE . ARG A 153 ? 0.7395 0.8250 0.6629 -0.1655 0.0114 -0.2557 376 ARG A NE 1151 C CZ . ARG A 153 ? 0.7841 0.9329 0.7374 -0.1752 0.0289 -0.2919 376 ARG A CZ 1152 N NH1 . ARG A 153 ? 0.7849 0.9194 0.7349 -0.2056 0.0726 -0.3308 376 ARG A NH1 1153 N NH2 . ARG A 153 ? 0.6837 0.9076 0.6689 -0.1536 0.0060 -0.2891 376 ARG A NH2 1154 N N . ALA A 154 ? 0.6540 0.6650 0.5452 -0.0845 -0.0770 -0.0912 377 ALA A N 1155 C CA . ALA A 154 ? 0.6476 0.7098 0.5625 -0.0697 -0.1069 -0.0811 377 ALA A CA 1156 C C . ALA A 154 ? 0.6713 0.8093 0.6465 -0.0805 -0.0925 -0.1301 377 ALA A C 1157 O O . ALA A 154 ? 0.6705 0.8407 0.6790 -0.0797 -0.0880 -0.1396 377 ALA A O 1158 C CB . ALA A 154 ? 0.5982 0.6682 0.5107 -0.0413 -0.1348 -0.0353 377 ALA A CB 1159 N N . SER A 155 ? 0.6900 0.8598 0.6816 -0.0861 -0.0793 -0.1575 378 SER A N 1160 C CA . SER A 155 ? 0.5822 0.8290 0.6275 -0.0906 -0.0559 -0.2028 378 SER A CA 1161 C C . SER A 155 ? 0.6812 0.9227 0.7480 -0.1220 -0.0148 -0.2504 378 SER A C 1162 O O . SER A 155 ? 0.6952 1.0058 0.8141 -0.1243 0.0048 -0.2833 378 SER A O 1163 C CB . SER A 155 ? 0.6185 0.8943 0.6675 -0.0912 -0.0480 -0.2228 378 SER A CB 1164 O OG . SER A 155 ? 0.7214 0.9480 0.7425 -0.1187 -0.0257 -0.2428 378 SER A OG 1165 N N . GLY A 156 ? 0.7403 0.8921 0.7667 -0.1389 0.0112 -0.2483 379 GLY A N 1166 C CA . GLY A 156 ? 0.7542 0.8801 0.7975 -0.1593 0.0693 -0.2796 379 GLY A CA 1167 C C . GLY A 156 ? 0.7901 0.9172 0.8319 -0.1869 0.1104 -0.3328 379 GLY A C 1168 O O . GLY A 156 ? 0.8624 0.9773 0.9198 -0.2078 0.1625 -0.3684 379 GLY A O 1169 N N . LYS A 157 ? 0.7310 0.8785 0.7567 -0.1861 0.0887 -0.3352 380 LYS A N 1170 C CA . LYS A 157 ? 0.7431 0.9068 0.7733 -0.2091 0.1250 -0.3725 380 LYS A CA 1171 C C . LYS A 157 ? 0.7848 0.8420 0.7604 -0.2277 0.1575 -0.3717 380 LYS A C 1172 O O . LYS A 157 ? 0.7862 0.7674 0.7249 -0.2151 0.1452 -0.3273 380 LYS A O 1173 C CB . LYS A 157 ? 0.7764 1.0028 0.8156 -0.1961 0.0928 -0.3640 380 LYS A CB 1174 C CG . LYS A 157 ? 0.8598 1.1920 0.9541 -0.1745 0.0723 -0.3692 380 LYS A CG 1175 C CD . LYS A 157 ? 1.0068 1.3963 1.1122 -0.1650 0.0610 -0.3755 380 LYS A CD 1176 C CE . LYS A 157 ? 1.0396 1.5142 1.1861 -0.1336 0.0422 -0.3732 380 LYS A CE 1177 N NZ . LYS A 157 ? 1.1185 1.5555 1.2377 -0.1001 0.0004 -0.3200 380 LYS A NZ 1178 N N . PRO A 158 ? 0.9353 0.9988 0.9165 -0.2562 0.2021 -0.4107 381 PRO A N 1179 C CA . PRO A 158 ? 1.0249 0.9913 0.9578 -0.2760 0.2389 -0.4129 381 PRO A CA 1180 C C . PRO A 158 ? 0.9815 0.8932 0.8665 -0.2661 0.2065 -0.3750 381 PRO A C 1181 O O . PRO A 158 ? 0.9612 0.9268 0.8537 -0.2529 0.1640 -0.3595 381 PRO A O 1182 C CB . PRO A 158 ? 1.0721 1.0891 1.0289 -0.3095 0.2798 -0.4620 381 PRO A CB 1183 C CG . PRO A 158 ? 1.0576 1.1964 1.0677 -0.3009 0.2504 -0.4754 381 PRO A CG 1184 C CD . PRO A 158 ? 0.9960 1.1597 1.0323 -0.2742 0.2238 -0.4560 381 PRO A CD 1185 N N . VAL A 159 ? 0.9529 0.7670 0.8000 -0.2701 0.2297 -0.3511 382 VAL A N 1186 C CA . VAL A 159 ? 0.9016 0.6683 0.7124 -0.2666 0.2115 -0.3162 382 VAL A CA 1187 C C . VAL A 159 ? 0.9350 0.6458 0.7192 -0.2987 0.2595 -0.3451 382 VAL A C 1188 O O . VAL A 159 ? 0.9634 0.6509 0.7511 -0.3183 0.3094 -0.3772 382 VAL A O 1189 C CB . VAL A 159 ? 0.8994 0.6104 0.6937 -0.2376 0.1956 -0.2458 382 VAL A CB 1190 C CG1 . VAL A 159 ? 0.8184 0.5847 0.6325 -0.2076 0.1449 -0.2171 382 VAL A CG1 1191 C CG2 . VAL A 159 ? 0.9666 0.6096 0.7535 -0.2406 0.2436 -0.2366 382 VAL A CG2 1192 N N . ASN A 160 ? 1.0052 0.6974 0.7642 -0.3053 0.2445 -0.3350 383 ASN A N 1193 C CA . ASN A 160 ? 1.2291 0.8681 0.9606 -0.3363 0.2858 -0.3590 383 ASN A CA 1194 C C . ASN A 160 ? 1.1800 0.7243 0.8887 -0.3289 0.3134 -0.3104 383 ASN A C 1195 O O . ASN A 160 ? 1.0282 0.5523 0.7403 -0.2988 0.2994 -0.2598 383 ASN A O 1196 C CB . ASN A 160 ? 1.3320 1.0154 1.0592 -0.3444 0.2593 -0.3574 383 ASN A CB 1197 C CG . ASN A 160 ? 1.4511 1.2497 1.2150 -0.3488 0.2438 -0.3878 383 ASN A CG 1198 O OD1 . ASN A 160 ? 1.4489 1.2978 1.2189 -0.3466 0.2139 -0.3819 383 ASN A OD1 1199 N ND2 . ASN A 160 ? 1.5319 1.3754 1.3264 -0.3539 0.2654 -0.4189 383 ASN A ND2 1200 N N . HIS A 161 ? 1.1763 0.6638 0.8587 -0.3561 0.3530 -0.3269 384 HIS A N 1201 C CA . HIS A 161 ? 1.1258 0.5227 0.7828 -0.3487 0.3788 -0.2798 384 HIS A CA 1202 C C . HIS A 161 ? 1.1588 0.5552 0.8095 -0.3254 0.3366 -0.2247 384 HIS A C 1203 O O . HIS A 161 ? 1.0543 0.5128 0.7166 -0.3240 0.2930 -0.2314 384 HIS A O 1204 C CB . HIS A 161 ? 1.1027 0.4422 0.7325 -0.3859 0.4302 -0.3132 384 HIS A CB 1205 C CG . HIS A 161 ? 1.1560 0.4670 0.7853 -0.4048 0.4850 -0.3519 384 HIS A CG 1206 N ND1 . HIS A 161 ? 1.3146 0.6624 0.9465 -0.4395 0.5106 -0.4227 384 HIS A ND1 1207 C CD2 . HIS A 161 ? 1.3596 0.6114 0.9859 -0.3938 0.5201 -0.3311 384 HIS A CD2 1208 C CE1 . HIS A 161 ? 1.3984 0.7122 1.0324 -0.4500 0.5608 -0.4436 384 HIS A CE1 1209 N NE2 . HIS A 161 ? 1.3861 0.6403 1.0176 -0.4227 0.5663 -0.3885 384 HIS A NE2 1210 N N . SER A 162 ? 1.2004 0.5287 0.8323 -0.3067 0.3511 -0.1713 385 SER A N 1211 C CA . SER A 162 ? 1.2044 0.5340 0.8318 -0.2820 0.3167 -0.1161 385 SER A CA 1212 C C . SER A 162 ? 1.2382 0.4957 0.8401 -0.2890 0.3489 -0.0903 385 SER A C 1213 O O . SER A 162 ? 1.2207 0.4142 0.8035 -0.3072 0.3988 -0.1063 385 SER A O 1214 C CB . SER A 162 ? 1.1694 0.5036 0.7998 -0.2412 0.2935 -0.0661 385 SER A CB 1215 O OG . SER A 162 ? 1.2773 0.5519 0.8937 -0.2334 0.3326 -0.0561 385 SER A OG 1216 N N . THR A 163 ? 1.2588 0.5288 0.8621 -0.2746 0.3212 -0.0506 386 THR A N 1217 C CA . THR A 163 ? 1.4039 0.6120 0.9874 -0.2748 0.3495 -0.0175 386 THR A CA 1218 C C . THR A 163 ? 1.4643 0.6253 1.0279 -0.2355 0.3664 0.0337 386 THR A C 1219 O O . THR A 163 ? 1.4439 0.6290 1.0126 -0.2092 0.3436 0.0519 386 THR A O 1220 C CB . THR A 163 ? 1.3049 0.5613 0.9025 -0.2686 0.3135 0.0038 386 THR A CB 1221 O OG1 . THR A 163 ? 1.1294 0.4340 0.7380 -0.2261 0.2729 0.0450 386 THR A OG1 1222 C CG2 . THR A 163 ? 1.2700 0.5837 0.8867 -0.3040 0.2874 -0.0472 386 THR A CG2 1223 N N . ARG A 164 ? 1.4449 0.5474 0.9838 -0.2285 0.4044 0.0517 387 ARG A N 1224 C CA . ARG A 164 ? 1.4392 0.5066 0.9558 -0.1857 0.4199 0.0936 387 ARG A CA 1225 C C . ARG A 164 ? 1.4717 0.5115 0.9740 -0.1716 0.4415 0.1176 387 ARG A C 1226 O O . ARG A 164 ? 1.3328 0.3268 0.8240 -0.2016 0.4755 0.0992 387 ARG A O 1227 C CB . ARG A 164 ? 1.4779 0.4772 0.9744 -0.1932 0.4607 0.0822 387 ARG A CB 1228 C CG . ARG A 164 ? 1.5440 0.5410 1.0272 -0.1483 0.4529 0.1173 387 ARG A CG 1229 C CD . ARG A 164 ? 1.6451 0.5763 1.1123 -0.1574 0.4922 0.1048 387 ARG A CD 1230 N NE . ARG A 164 ? 1.7407 0.5861 1.1769 -0.1667 0.5476 0.1052 387 ARG A NE 1231 C CZ . ARG A 164 ? 1.8336 0.6387 1.2381 -0.1314 0.5672 0.1414 387 ARG A CZ 1232 N NH1 . ARG A 164 ? 1.7447 0.5927 1.1455 -0.0855 0.5361 0.1758 387 ARG A NH1 1233 N NH2 . ARG A 164 ? 1.9706 0.6940 1.3462 -0.1425 0.6189 0.1402 387 ARG A NH2 1234 N N . LYS A 165 ? 1.4795 0.5524 0.9848 -0.1266 0.4219 0.1553 388 LYS A N 1235 C CA . LYS A 165 ? 1.6175 0.6786 1.1189 -0.1084 0.4397 0.1784 388 LYS A CA 1236 C C . LYS A 165 ? 1.5905 0.6525 1.0786 -0.0566 0.4435 0.2143 388 LYS A C 1237 O O . LYS A 165 ? 1.4784 0.6007 0.9812 -0.0300 0.4066 0.2250 388 LYS A O 1238 C CB . LYS A 165 ? 1.6516 0.7889 1.1915 -0.1138 0.4016 0.1768 388 LYS A CB 1239 C CG . LYS A 165 ? 1.7687 0.9000 1.3148 -0.1039 0.4206 0.1943 388 LYS A CG 1240 C CD . LYS A 165 ? 1.7793 1.0020 1.3731 -0.1011 0.3757 0.1969 388 LYS A CD 1241 C CE . LYS A 165 ? 1.7901 1.0429 1.3986 -0.1460 0.3480 0.1615 388 LYS A CE 1242 N NZ . LYS A 165 ? 1.7210 1.0641 1.3759 -0.1425 0.3014 0.1646 388 LYS A NZ 1243 N N . GLU A 166 ? 1.6098 0.6051 1.0682 -0.0433 0.4893 0.2303 389 GLU A N 1244 C CA . GLU A 166 ? 1.6684 0.6643 1.1108 0.0062 0.4979 0.2619 389 GLU A CA 1245 C C . GLU A 166 ? 1.7389 0.7339 1.1869 0.0244 0.5193 0.2819 389 GLU A C 1246 O O . GLU A 166 ? 1.7151 0.6591 1.1542 -0.0001 0.5511 0.2757 389 GLU A O 1247 C CB . GLU A 166 ? 1.7848 0.7012 1.1813 0.0144 0.5336 0.2658 389 GLU A CB 1248 C CG . GLU A 166 ? 1.9240 0.7448 1.2934 -0.0211 0.5837 0.2497 389 GLU A CG 1249 C CD . GLU A 166 ? 2.0473 0.7982 1.3799 -0.0166 0.6130 0.2493 389 GLU A CD 1250 O OE1 . GLU A 166 ? 1.9564 0.7418 1.2908 0.0031 0.5856 0.2537 389 GLU A OE1 1251 O OE2 . GLU A 166 ? 2.1809 0.8436 1.4838 -0.0335 0.6627 0.2437 389 GLU A OE2 1252 N N . GLU A 167 ? 1.7402 0.7963 1.2063 0.0663 0.5026 0.3037 390 GLU A N 1253 C CA . GLU A 167 ? 1.7985 0.8705 1.2810 0.0874 0.5205 0.3230 390 GLU A CA 1254 C C . GLU A 167 ? 1.8342 0.9150 1.3008 0.1400 0.5359 0.3484 390 GLU A C 1255 O O . GLU A 167 ? 1.7810 0.9213 1.2593 0.1640 0.5066 0.3505 390 GLU A O 1256 C CB . GLU A 167 ? 1.7464 0.9136 1.2908 0.0790 0.4794 0.3175 390 GLU A CB 1257 C CG . GLU A 167 ? 1.8330 0.9939 1.3916 0.0281 0.4672 0.2921 390 GLU A CG 1258 C CD . GLU A 167 ? 1.8835 1.1372 1.5024 0.0224 0.4282 0.2892 390 GLU A CD 1259 O OE1 . GLU A 167 ? 1.9449 1.1948 1.5762 -0.0143 0.4250 0.2726 390 GLU A OE1 1260 O OE2 . GLU A 167 ? 1.8343 1.1667 1.4892 0.0534 0.4011 0.3016 390 GLU A OE2 1261 N N . LYS A 168 ? 1.8705 0.8913 1.3086 0.1569 0.5834 0.3659 391 LYS A N 1262 C CA . LYS A 168 ? 1.9389 0.9685 1.3612 0.2085 0.6033 0.3896 391 LYS A CA 1263 C C . LYS A 168 ? 1.9183 1.0521 1.4027 0.2300 0.5800 0.3974 391 LYS A C 1264 O O . LYS A 168 ? 1.9285 1.0861 1.4519 0.2141 0.5796 0.3974 391 LYS A O 1265 C CB . LYS A 168 ? 2.0005 0.9360 1.3772 0.2185 0.6619 0.4060 391 LYS A CB 1266 C CG . LYS A 168 ? 2.1023 0.9959 1.4254 0.2628 0.6905 0.4237 391 LYS A CG 1267 C CD . LYS A 168 ? 2.3015 1.0727 1.5645 0.2539 0.7439 0.4302 391 LYS A CD 1268 C CE . LYS A 168 ? 2.4155 1.1405 1.6203 0.2995 0.7736 0.4487 391 LYS A CE 1269 N NZ . LYS A 168 ? 2.4521 1.1806 1.6529 0.3408 0.8073 0.4731 391 LYS A NZ 1270 N N . GLN A 169 ? 1.9149 1.1139 1.4118 0.2644 0.5600 0.4017 392 GLN A N 1271 C CA . GLN A 169 ? 1.8899 1.1951 1.4526 0.2835 0.5370 0.4057 392 GLN A CA 1272 C C . GLN A 169 ? 2.0383 1.3516 1.6036 0.3287 0.5749 0.4285 392 GLN A C 1273 O O . GLN A 169 ? 2.1034 1.3429 1.6115 0.3512 0.6152 0.4414 392 GLN A O 1274 C CB . GLN A 169 ? 1.7569 1.1357 1.3394 0.2923 0.4947 0.3940 392 GLN A CB 1275 C CG . GLN A 169 ? 1.6652 1.0415 1.2470 0.2513 0.4562 0.3723 392 GLN A CG 1276 C CD . GLN A 169 ? 1.5540 0.9646 1.1841 0.2141 0.4316 0.3611 392 GLN A CD 1277 O OE1 . GLN A 169 ? 1.4625 0.9549 1.1518 0.2201 0.4131 0.3629 392 GLN A OE1 1278 N NE2 . GLN A 169 ? 1.5453 0.8954 1.1515 0.1748 0.4316 0.3478 392 GLN A NE2 1279 N N . ARG A 170 ? 2.0954 1.5002 1.7289 0.3429 0.5621 0.4333 393 ARG A N 1280 C CA . ARG A 170 ? 2.2269 1.6519 1.8751 0.3872 0.5971 0.4546 393 ARG A CA 1281 C C . ARG A 170 ? 2.1015 1.5147 1.7052 0.4340 0.6168 0.4624 393 ARG A C 1282 O O . ARG A 170 ? 2.1721 1.5517 1.7496 0.4705 0.6592 0.4809 393 ARG A O 1283 C CB . ARG A 170 ? 2.3785 1.9187 2.1185 0.3948 0.5739 0.4561 393 ARG A CB 1284 C CG . ARG A 170 ? 2.5820 2.1609 2.3472 0.4473 0.6059 0.4770 393 ARG A CG 1285 C CD . ARG A 170 ? 2.6743 2.3431 2.5314 0.4464 0.5926 0.4827 393 ARG A CD 1286 N NE . ARG A 170 ? 2.8444 2.4659 2.7032 0.4190 0.6082 0.4889 393 ARG A NE 1287 C CZ . ARG A 170 ? 2.9843 2.5582 2.8248 0.4413 0.6542 0.5092 393 ARG A CZ 1288 N NH1 . ARG A 170 ? 3.0350 2.6019 2.8523 0.4941 0.6891 0.5260 393 ARG A NH1 1289 N NH2 . ARG A 170 ? 3.0363 2.5686 2.8797 0.4108 0.6655 0.5118 393 ARG A NH2 1290 N N . ASN A 171 ? 1.8645 1.3049 1.4581 0.4331 0.5855 0.4475 394 ASN A N 1291 C CA . ASN A 171 ? 1.6723 1.1031 1.2214 0.4744 0.5986 0.4507 394 ASN A CA 1292 C C . ASN A 171 ? 1.5805 0.9010 1.0421 0.4713 0.6211 0.4525 394 ASN A C 1293 O O . ASN A 171 ? 1.5615 0.8666 0.9783 0.4994 0.6255 0.4517 394 ASN A O 1294 C CB . ASN A 171 ? 1.5791 1.0927 1.1591 0.4773 0.5562 0.4335 394 ASN A CB 1295 C CG . ASN A 171 ? 1.4439 0.9549 1.0246 0.4297 0.5140 0.4134 394 ASN A CG 1296 O OD1 . ASN A 171 ? 1.4582 0.8943 1.0021 0.3993 0.5181 0.4112 394 ASN A OD1 1297 N ND2 . ASN A 171 ? 1.2217 0.8146 0.8458 0.4237 0.4748 0.3984 394 ASN A ND2 1298 N N . GLY A 172 ? 1.5282 0.7732 0.9675 0.4364 0.6350 0.4538 395 GLY A N 1299 C CA . GLY A 172 ? 1.7056 0.8409 1.0673 0.4320 0.6630 0.4573 395 GLY A CA 1300 C C . GLY A 172 ? 1.8572 0.9715 1.1931 0.4047 0.6318 0.4390 395 GLY A C 1301 O O . GLY A 172 ? 1.9752 1.0032 1.2517 0.3995 0.6519 0.4403 395 GLY A O 1302 N N . THR A 173 ? 1.7771 0.9710 1.1596 0.3877 0.5833 0.4222 396 THR A N 1303 C CA . THR A 173 ? 1.6852 0.8690 1.0524 0.3604 0.5502 0.4043 396 THR A CA 1304 C C . THR A 173 ? 1.6720 0.8214 1.0523 0.3098 0.5420 0.3934 396 THR A C 1305 O O . THR A 173 ? 1.7146 0.8577 1.1198 0.2944 0.5562 0.3975 396 THR A O 1306 C CB . THR A 173 ? 1.5085 0.7907 0.9169 0.3645 0.5020 0.3900 396 THR A CB 1307 O OG1 . THR A 173 ? 1.3963 0.7489 0.8719 0.3443 0.4775 0.3840 396 THR A OG1 1308 C CG2 . THR A 173 ? 1.5412 0.8630 0.9418 0.4131 0.5108 0.3966 396 THR A CG2 1309 N N . LEU A 174 ? 1.6341 0.7639 0.9996 0.2841 0.5191 0.3782 397 LEU A N 1310 C CA . LEU A 174 ? 1.5407 0.6391 0.9174 0.2363 0.5118 0.3638 397 LEU A CA 1311 C C . LEU A 174 ? 1.5170 0.6851 0.9316 0.2141 0.4582 0.3443 397 LEU A C 1312 O O . LEU A 174 ? 1.4330 0.6325 0.8415 0.2267 0.4327 0.3392 397 LEU A O 1313 C CB . LEU A 174 ? 1.6368 0.6322 0.9603 0.2214 0.5442 0.3622 397 LEU A CB 1314 C CG . LEU A 174 ? 1.7251 0.6803 1.0566 0.1705 0.5436 0.3425 397 LEU A CG 1315 C CD1 . LEU A 174 ? 1.6975 0.6564 1.0591 0.1461 0.5526 0.3391 397 LEU A CD1 1316 C CD2 . LEU A 174 ? 1.8982 0.7512 1.1806 0.1595 0.5833 0.3410 397 LEU A CD2 1317 N N . THR A 175 ? 1.4062 0.5988 0.8592 0.1811 0.4407 0.3327 398 THR A N 1318 C CA . THR A 175 ? 1.4256 0.6762 0.9112 0.1574 0.3922 0.3138 398 THR A CA 1319 C C . THR A 175 ? 1.4211 0.6213 0.8995 0.1127 0.3954 0.2959 398 THR A C 1320 O O . THR A 175 ? 1.5036 0.6596 0.9794 0.0915 0.4226 0.2938 398 THR A O 1321 C CB . THR A 175 ? 1.4193 0.7621 0.9633 0.1583 0.3604 0.3120 398 THR A CB 1322 O OG1 . THR A 175 ? 1.5293 0.8585 1.0922 0.1338 0.3714 0.3098 398 THR A OG1 1323 C CG2 . THR A 175 ? 1.3688 0.7605 0.9264 0.2007 0.3677 0.3277 398 THR A CG2 1324 N N . VAL A 176 ? 1.3605 0.5696 0.8374 0.0975 0.3694 0.2810 399 VAL A N 1325 C CA . VAL A 176 ? 1.3830 0.5552 0.8592 0.0546 0.3720 0.2594 399 VAL A CA 1326 C C . VAL A 176 ? 1.2724 0.5177 0.7876 0.0354 0.3225 0.2425 399 VAL A C 1327 O O . VAL A 176 ? 1.2097 0.5128 0.7385 0.0508 0.2855 0.2429 399 VAL A O 1328 C CB . VAL A 176 ? 1.5168 0.6311 0.9610 0.0488 0.3898 0.2533 399 VAL A CB 1329 C CG1 . VAL A 176 ? 1.5913 0.6851 1.0469 0.0030 0.3903 0.2250 399 VAL A CG1 1330 C CG2 . VAL A 176 ? 1.5951 0.6251 0.9972 0.0625 0.4427 0.2678 399 VAL A CG2 1331 N N . THR A 177 ? 0.9467 0.5216 0.7670 0.0027 0.2292 0.0753 400 THR A N 1332 C CA . THR A 177 ? 0.9591 0.5588 0.7899 -0.0080 0.2105 0.0644 400 THR A CA 1333 C C . THR A 177 ? 0.8976 0.4860 0.7460 -0.0286 0.2086 0.0499 400 THR A C 1334 O O . THR A 177 ? 0.9026 0.4730 0.7635 -0.0352 0.2232 0.0527 400 THR A O 1335 C CB . THR A 177 ? 0.9965 0.6221 0.8349 -0.0007 0.2102 0.0736 400 THR A CB 1336 O OG1 . THR A 177 ? 0.9948 0.6364 0.8184 0.0190 0.2101 0.0844 400 THR A OG1 1337 C CG2 . THR A 177 ? 0.9643 0.6125 0.8135 -0.0115 0.1904 0.0609 400 THR A CG2 1338 N N . SER A 178 ? 0.7810 0.3817 0.6314 -0.0386 0.1906 0.0349 401 SER A N 1339 C CA . SER A 178 ? 0.7394 0.3378 0.6069 -0.0572 0.1869 0.0193 401 SER A CA 1340 C C . SER A 178 ? 0.7922 0.4195 0.6642 -0.0627 0.1673 0.0107 401 SER A C 1341 O O . SER A 178 ? 0.7512 0.3933 0.6129 -0.0565 0.1528 0.0110 401 SER A O 1342 C CB . SER A 178 ? 0.8236 0.4036 0.6901 -0.0642 0.1869 0.0058 401 SER A CB 1343 O OG . SER A 178 ? 0.8171 0.3995 0.7007 -0.0815 0.1825 -0.0113 401 SER A OG 1344 N N . THR A 179 ? 0.7832 0.4185 0.6707 -0.0743 0.1667 0.0038 402 THR A N 1345 C CA . THR A 179 ? 0.7448 0.4063 0.6364 -0.0790 0.1483 -0.0055 402 THR A CA 1346 C C . THR A 179 ? 0.7638 0.4268 0.6673 -0.0961 0.1443 -0.0240 402 THR A C 1347 O O . THR A 179 ? 0.7047 0.3573 0.6210 -0.1068 0.1564 -0.0286 402 THR A O 1348 C CB . THR A 179 ? 0.7115 0.3923 0.6088 -0.0736 0.1478 0.0022 402 THR A CB 1349 O OG1 . THR A 179 ? 0.6816 0.3675 0.5684 -0.0558 0.1491 0.0170 402 THR A OG1 1350 C CG2 . THR A 179 ? 0.7247 0.4306 0.6258 -0.0778 0.1280 -0.0092 402 THR A CG2 1351 N N . LEU A 180 ? 0.7640 0.4416 0.6644 -0.0986 0.1275 -0.0342 403 LEU A N 1352 C CA . LEU A 180 ? 0.6525 0.3365 0.5628 -0.1125 0.1229 -0.0529 403 LEU A CA 1353 C C . LEU A 180 ? 0.6971 0.4076 0.6112 -0.1160 0.1075 -0.0604 403 LEU A C 1354 O O . LEU A 180 ? 0.6160 0.3399 0.5223 -0.1083 0.0920 -0.0560 403 LEU A O 1355 C CB . LEU A 180 ? 0.6373 0.3200 0.5415 -0.1115 0.1169 -0.0595 403 LEU A CB 1356 C CG . LEU A 180 ? 0.5968 0.2920 0.5112 -0.1229 0.1113 -0.0797 403 LEU A CG 1357 C CD1 . LEU A 180 ? 0.6784 0.3542 0.6050 -0.1326 0.1268 -0.0912 403 LEU A CD1 1358 C CD2 . LEU A 180 ? 0.5936 0.3028 0.5005 -0.1179 0.0989 -0.0824 403 LEU A CD2 1359 N N . PRO A 181 ? 0.6928 0.4107 0.6191 -0.1277 0.1111 -0.0720 404 PRO A N 1360 C CA . PRO A 181 ? 0.7630 0.5072 0.6920 -0.1312 0.0968 -0.0822 404 PRO A CA 1361 C C . PRO A 181 ? 0.7596 0.5149 0.6869 -0.1339 0.0848 -0.0941 404 PRO A C 1362 O O . PRO A 181 ? 0.7047 0.4528 0.6369 -0.1402 0.0915 -0.1036 404 PRO A O 1363 C CB . PRO A 181 ? 0.8037 0.5516 0.7465 -0.1446 0.1076 -0.0921 404 PRO A CB 1364 C CG . PRO A 181 ? 0.8169 0.5400 0.7649 -0.1459 0.1270 -0.0812 404 PRO A CG 1365 C CD . PRO A 181 ? 0.7568 0.4589 0.6957 -0.1382 0.1294 -0.0750 404 PRO A CD 1366 N N . VAL A 182 ? 0.6811 0.4547 0.6027 -0.1283 0.0669 -0.0935 405 VAL A N 1367 C CA . VAL A 182 ? 0.6375 0.4258 0.5588 -0.1300 0.0556 -0.1022 405 VAL A CA 1368 C C . VAL A 182 ? 0.6608 0.4735 0.5852 -0.1332 0.0441 -0.1137 405 VAL A C 1369 O O . VAL A 182 ? 0.6833 0.5022 0.6071 -0.1314 0.0405 -0.1129 405 VAL A O 1370 C CB . VAL A 182 ? 0.6475 0.4356 0.5594 -0.1200 0.0435 -0.0885 405 VAL A CB 1371 C CG1 . VAL A 182 ? 0.6442 0.4114 0.5505 -0.1153 0.0546 -0.0776 405 VAL A CG1 1372 C CG2 . VAL A 182 ? 0.5641 0.3582 0.4715 -0.1120 0.0290 -0.0793 405 VAL A CG2 1373 N N . GLY A 183 ? 0.6463 0.4757 0.5734 -0.1363 0.0382 -0.1244 406 GLY A N 1374 C CA . GLY A 183 ? 0.6601 0.5144 0.5884 -0.1376 0.0271 -0.1351 406 GLY A CA 1375 C C . GLY A 183 ? 0.7413 0.6000 0.6618 -0.1273 0.0085 -0.1231 406 GLY A C 1376 O O . GLY A 183 ? 0.7225 0.5763 0.6392 -0.1214 0.0005 -0.1104 406 GLY A O 1377 N N . THR A 184 ? 0.7281 0.5967 0.6465 -0.1251 0.0008 -0.1272 407 THR A N 1378 C CA . THR A 184 ? 0.7578 0.6295 0.6704 -0.1148 -0.0188 -0.1187 407 THR A CA 1379 C C . THR A 184 ? 0.7730 0.6571 0.6858 -0.1130 -0.0313 -0.1172 407 THR A C 1380 O O . THR A 184 ? 0.7448 0.6222 0.6558 -0.1069 -0.0435 -0.1031 407 THR A O 1381 C CB . THR A 184 ? 0.8230 0.7084 0.7330 -0.1117 -0.0258 -0.1275 407 THR A CB 1382 O OG1 . THR A 184 ? 0.9074 0.7860 0.8185 -0.1123 -0.0145 -0.1258 407 THR A OG1 1383 C CG2 . THR A 184 ? 0.8345 0.7212 0.7396 -0.0999 -0.0482 -0.1207 407 THR A CG2 1384 N N . ARG A 185 ? 0.7650 0.6694 0.6810 -0.1184 -0.0279 -0.1315 408 ARG A N 1385 C CA . ARG A 185 ? 0.7684 0.6909 0.6859 -0.1158 -0.0379 -0.1302 408 ARG A CA 1386 C C . ARG A 185 ? 0.7530 0.6716 0.6737 -0.1165 -0.0331 -0.1203 408 ARG A C 1387 O O . ARG A 185 ? 0.7910 0.7144 0.7117 -0.1115 -0.0449 -0.1064 408 ARG A O 1388 C CB . ARG A 185 ? 0.8509 0.8012 0.7713 -0.1200 -0.0335 -0.1500 408 ARG A CB 1389 C CG . ARG A 185 ? 1.0102 0.9855 0.9336 -0.1165 -0.0405 -0.1497 408 ARG A CG 1390 C CD . ARG A 185 ? 1.1816 1.1874 1.1069 -0.1189 -0.0363 -0.1711 408 ARG A CD 1391 N NE . ARG A 185 ? 1.3019 1.3371 1.2326 -0.1155 -0.0379 -0.1732 408 ARG A NE 1392 C CZ . ARG A 185 ? 1.4212 1.4710 1.3604 -0.1196 -0.0259 -0.1844 408 ARG A CZ 1393 N NH1 . ARG A 185 ? 1.4522 1.4850 1.3957 -0.1285 -0.0116 -0.1941 408 ARG A NH1 1394 N NH2 . ARG A 185 ? 1.4436 1.5262 1.3880 -0.1139 -0.0287 -0.1859 408 ARG A NH2 1395 N N . ASP A 186 ? 0.6825 0.5929 0.6063 -0.1225 -0.0164 -0.1271 409 ASP A N 1396 C CA . ASP A 186 ? 0.7138 0.6215 0.6391 -0.1218 -0.0112 -0.1201 409 ASP A CA 1397 C C . ASP A 186 ? 0.6721 0.5645 0.5915 -0.1155 -0.0202 -0.0977 409 ASP A C 1398 O O . ASP A 186 ? 0.6679 0.5704 0.5876 -0.1121 -0.0261 -0.0868 409 ASP A O 1399 C CB . ASP A 186 ? 0.7455 0.6371 0.6738 -0.1280 0.0074 -0.1295 409 ASP A CB 1400 C CG . ASP A 186 ? 0.7752 0.6828 0.7125 -0.1358 0.0168 -0.1529 409 ASP A CG 1401 O OD1 . ASP A 186 ? 0.7012 0.5930 0.6433 -0.1430 0.0311 -0.1618 409 ASP A OD1 1402 O OD2 . ASP A 186 ? 0.8245 0.7614 0.7651 -0.1347 0.0100 -0.1619 409 ASP A OD2 1403 N N . TRP A 187 ? 0.6362 0.5076 0.5512 -0.1135 -0.0212 -0.0911 410 TRP A N 1404 C CA . TRP A 187 ? 0.6110 0.4681 0.5214 -0.1075 -0.0288 -0.0721 410 TRP A CA 1405 C C . TRP A 187 ? 0.6101 0.4769 0.5220 -0.1033 -0.0494 -0.0611 410 TRP A C 1406 O O . TRP A 187 ? 0.6326 0.5013 0.5447 -0.1011 -0.0566 -0.0458 410 TRP A O 1407 C CB . TRP A 187 ? 0.5825 0.4193 0.4892 -0.1047 -0.0243 -0.0695 410 TRP A CB 1408 C CG . TRP A 187 ? 0.5113 0.3376 0.4144 -0.0977 -0.0340 -0.0522 410 TRP A CG 1409 C CD1 . TRP A 187 ? 0.4706 0.2968 0.3748 -0.0923 -0.0520 -0.0458 410 TRP A CD1 1410 C CD2 . TRP A 187 ? 0.5764 0.3922 0.4746 -0.0951 -0.0272 -0.0402 410 TRP A CD2 1411 N NE1 . TRP A 187 ? 0.5380 0.3549 0.4401 -0.0877 -0.0566 -0.0311 410 TRP A NE1 1412 C CE2 . TRP A 187 ? 0.5566 0.3681 0.4538 -0.0891 -0.0411 -0.0270 410 TRP A CE2 1413 C CE3 . TRP A 187 ? 0.5871 0.3967 0.4815 -0.0966 -0.0111 -0.0404 410 TRP A CE3 1414 C CZ2 . TRP A 187 ? 0.6139 0.4182 0.5058 -0.0850 -0.0385 -0.0137 410 TRP A CZ2 1415 C CZ3 . TRP A 187 ? 0.5514 0.3528 0.4388 -0.0913 -0.0089 -0.0267 410 TRP A CZ3 1416 C CH2 . TRP A 187 ? 0.5751 0.3753 0.4609 -0.0858 -0.0220 -0.0134 410 TRP A CH2 1417 N N . ILE A 188 ? 0.5939 0.4669 0.5070 -0.1020 -0.0593 -0.0685 411 ILE A N 1418 C CA . ILE A 188 ? 0.6267 0.5051 0.5423 -0.0975 -0.0799 -0.0588 411 ILE A CA 1419 C C . ILE A 188 ? 0.6664 0.5659 0.5870 -0.0987 -0.0846 -0.0513 411 ILE A C 1420 O O . ILE A 188 ? 0.6307 0.5319 0.5553 -0.0962 -0.0998 -0.0353 411 ILE A O 1421 C CB . ILE A 188 ? 0.6934 0.5767 0.6079 -0.0944 -0.0890 -0.0708 411 ILE A CB 1422 C CG1 . ILE A 188 ? 0.7076 0.5748 0.6183 -0.0903 -0.0885 -0.0745 411 ILE A CG1 1423 C CG2 . ILE A 188 ? 0.7317 0.6200 0.6496 -0.0895 -0.1103 -0.0617 411 ILE A CG2 1424 C CD1 . ILE A 188 ? 0.7617 0.6370 0.6695 -0.0858 -0.0970 -0.0877 411 ILE A CD1 1425 N N . GLU A 189 ? 0.5972 0.5148 0.5191 -0.1022 -0.0717 -0.0625 412 GLU A N 1426 C CA . GLU A 189 ? 0.7181 0.6637 0.6455 -0.1012 -0.0753 -0.0569 412 GLU A CA 1427 C C . GLU A 189 ? 0.7057 0.6547 0.6337 -0.1009 -0.0719 -0.0427 412 GLU A C 1428 O O . GLU A 189 ? 0.7140 0.6895 0.6471 -0.0986 -0.0764 -0.0338 412 GLU A O 1429 C CB . GLU A 189 ? 0.7929 0.7637 0.7230 -0.1029 -0.0655 -0.0780 412 GLU A CB 1430 C CG . GLU A 189 ? 0.9262 0.9030 0.8548 -0.1016 -0.0721 -0.0894 412 GLU A CG 1431 C CD . GLU A 189 ? 1.0067 1.0150 0.9386 -0.1026 -0.0639 -0.1094 412 GLU A CD 1432 O OE1 . GLU A 189 ? 0.9992 1.0220 0.9359 -0.1049 -0.0524 -0.1172 412 GLU A OE1 1433 O OE2 . GLU A 189 ? 1.0025 1.0223 0.9321 -0.1002 -0.0696 -0.1184 412 GLU A OE2 1434 N N . GLY A 190 ? 0.6698 0.5951 0.5921 -0.1019 -0.0638 -0.0399 413 GLY A N 1435 C CA . GLY A 190 ? 0.5712 0.4979 0.4915 -0.1001 -0.0630 -0.0241 413 GLY A CA 1436 C C . GLY A 190 ? 0.5993 0.5275 0.5157 -0.1001 -0.0465 -0.0335 413 GLY A C 1437 O O . GLY A 190 ? 0.6145 0.5555 0.5291 -0.0970 -0.0465 -0.0229 413 GLY A O 1438 N N . GLU A 191 ? 0.5682 0.4839 0.4837 -0.1034 -0.0329 -0.0528 414 GLU A N 1439 C CA . GLU A 191 ? 0.5434 0.4538 0.4564 -0.1034 -0.0175 -0.0623 414 GLU A CA 1440 C C . GLU A 191 ? 0.5990 0.4887 0.5023 -0.0996 -0.0144 -0.0472 414 GLU A C 1441 O O . GLU A 191 ? 0.5795 0.4526 0.4789 -0.0985 -0.0202 -0.0350 414 GLU A O 1442 C CB . GLU A 191 ? 0.6351 0.5310 0.5510 -0.1094 -0.0038 -0.0833 414 GLU A CB 1443 C CG . GLU A 191 ? 0.6957 0.5794 0.6109 -0.1099 0.0118 -0.0932 414 GLU A CG 1444 C CD . GLU A 191 ? 0.7346 0.6469 0.6555 -0.1073 0.0124 -0.1043 414 GLU A CD 1445 O OE1 . GLU A 191 ? 0.6348 0.5583 0.5509 -0.1002 0.0088 -0.0934 414 GLU A OE1 1446 O OE2 . GLU A 191 ? 0.7414 0.6686 0.6721 -0.1116 0.0161 -0.1244 414 GLU A OE2 1447 N N . THR A 192 ? 0.5752 0.4683 0.4746 -0.0962 -0.0061 -0.0490 415 THR A N 1448 C CA . THR A 192 ? 0.5478 0.4234 0.4360 -0.0912 -0.0013 -0.0366 415 THR A CA 1449 C C . THR A 192 ? 0.5977 0.4472 0.4828 -0.0918 0.0166 -0.0500 415 THR A C 1450 O O . THR A 192 ? 0.5995 0.4546 0.4897 -0.0931 0.0241 -0.0668 415 THR A O 1451 C CB . THR A 192 ? 0.5861 0.4871 0.4699 -0.0847 -0.0063 -0.0263 415 THR A CB 1452 O OG1 . THR A 192 ? 0.5463 0.4684 0.4338 -0.0848 -0.0228 -0.0082 415 THR A OG1 1453 C CG2 . THR A 192 ? 0.5176 0.4012 0.3874 -0.0784 0.0017 -0.0179 415 THR A CG2 1454 N N . TYR A 193 ? 0.5706 0.3926 0.4488 -0.0905 0.0232 -0.0428 416 TYR A N 1455 C CA . TYR A 193 ? 0.6115 0.4066 0.4878 -0.0911 0.0407 -0.0518 416 TYR A CA 1456 C C . TYR A 193 ? 0.5385 0.3211 0.4010 -0.0820 0.0477 -0.0411 416 TYR A C 1457 O O . TYR A 193 ? 0.5667 0.3526 0.4201 -0.0762 0.0410 -0.0244 416 TYR A O 1458 C CB . TYR A 193 ? 0.5998 0.3765 0.4796 -0.0951 0.0453 -0.0522 416 TYR A CB 1459 C CG . TYR A 193 ? 0.5736 0.3625 0.4653 -0.1036 0.0405 -0.0657 416 TYR A CG 1460 C CD1 . TYR A 193 ? 0.6358 0.4422 0.5299 -0.1038 0.0243 -0.0611 416 TYR A CD1 1461 C CD2 . TYR A 193 ? 0.5973 0.3809 0.4983 -0.1114 0.0518 -0.0835 416 TYR A CD2 1462 C CE1 . TYR A 193 ? 0.6558 0.4750 0.5585 -0.1099 0.0199 -0.0737 416 TYR A CE1 1463 C CE2 . TYR A 193 ? 0.5867 0.3854 0.4974 -0.1188 0.0476 -0.0966 416 TYR A CE2 1464 C CZ . TYR A 193 ? 0.6509 0.4680 0.5611 -0.1172 0.0318 -0.0917 416 TYR A CZ 1465 O OH . TYR A 193 ? 0.6574 0.4908 0.5749 -0.1228 0.0275 -0.1047 416 TYR A OH 1466 N N . GLN A 194 ? 0.5529 0.3213 0.4142 -0.0805 0.0607 -0.0517 417 GLN A N 1467 C CA . GLN A 194 ? 0.6182 0.3764 0.4650 -0.0701 0.0675 -0.0442 417 GLN A CA 1468 C C . GLN A 194 ? 0.6909 0.4133 0.5351 -0.0688 0.0854 -0.0463 417 GLN A C 1469 O O . GLN A 194 ? 0.6988 0.4062 0.5547 -0.0762 0.0945 -0.0608 417 GLN A O 1470 C CB . GLN A 194 ? 0.6245 0.4030 0.4709 -0.0657 0.0640 -0.0543 417 GLN A CB 1471 C CG . GLN A 194 ? 0.5501 0.3686 0.4010 -0.0665 0.0471 -0.0503 417 GLN A CG 1472 C CD . GLN A 194 ? 0.7004 0.5461 0.5561 -0.0624 0.0438 -0.0645 417 GLN A CD 1473 O OE1 . GLN A 194 ? 0.7608 0.5950 0.6231 -0.0634 0.0526 -0.0843 417 GLN A OE1 1474 N NE2 . GLN A 194 ? 0.5983 0.4824 0.4524 -0.0577 0.0304 -0.0544 417 GLN A NE2 1475 N N . CYS A 195 ? 0.6721 0.3822 0.5015 -0.0593 0.0906 -0.0307 418 CYS A N 1476 C CA . CYS A 195 ? 0.6549 0.3328 0.4798 -0.0551 0.1083 -0.0284 418 CYS A CA 1477 C C . CYS A 195 ? 0.7137 0.3849 0.5231 -0.0431 0.1136 -0.0272 418 CYS A C 1478 O O . CYS A 195 ? 0.7764 0.4633 0.5703 -0.0336 0.1071 -0.0154 418 CYS A O 1479 C CB . CYS A 195 ? 0.6582 0.3310 0.4773 -0.0503 0.1108 -0.0118 418 CYS A CB 1480 S SG . CYS A 195 ? 1.0996 0.7389 0.9110 -0.0413 0.1331 -0.0034 418 CYS A SG 1481 N N . ARG A 196 ? 0.6757 0.3239 0.4894 -0.0435 0.1248 -0.0398 419 ARG A N 1482 C CA . ARG A 196 ? 0.7066 0.3472 0.5056 -0.0308 0.1289 -0.0417 419 ARG A CA 1483 C C . ARG A 196 ? 0.7282 0.3301 0.5203 -0.0239 0.1473 -0.0353 419 ARG A C 1484 O O . ARG A 196 ? 0.8427 0.4177 0.6497 -0.0322 0.1584 -0.0426 419 ARG A O 1485 C CB . ARG A 196 ? 0.7963 0.4451 0.6061 -0.0338 0.1238 -0.0640 419 ARG A CB 1486 C CG . ARG A 196 ? 0.8717 0.5167 0.6667 -0.0189 0.1251 -0.0692 419 ARG A CG 1487 C CD . ARG A 196 ? 0.9510 0.6072 0.7603 -0.0213 0.1191 -0.0944 419 ARG A CD 1488 N NE . ARG A 196 ? 1.0834 0.7443 0.8778 -0.0045 0.1166 -0.1007 419 ARG A NE 1489 C CZ . ARG A 196 ? 1.0344 0.7376 0.8180 0.0056 0.1028 -0.0990 419 ARG A CZ 1490 N NH1 . ARG A 196 ? 0.9538 0.6951 0.7415 -0.0005 0.0909 -0.0900 419 ARG A NH1 1491 N NH2 . ARG A 196 ? 1.0869 0.7952 0.8560 0.0225 0.1006 -0.1055 419 ARG A NH2 1492 N N . VAL A 197 ? 0.7468 0.3477 0.5164 -0.0085 0.1508 -0.0207 420 VAL A N 1493 C CA . VAL A 197 ? 0.8214 0.3891 0.5815 0.0011 0.1688 -0.0111 420 VAL A CA 1494 C C . VAL A 197 ? 0.9476 0.5016 0.6905 0.0161 0.1732 -0.0156 420 VAL A C 1495 O O . VAL A 197 ? 0.7906 0.3688 0.5148 0.0274 0.1640 -0.0129 420 VAL A O 1496 C CB . VAL A 197 ? 0.9062 0.4830 0.6528 0.0097 0.1719 0.0101 420 VAL A CB 1497 C CG1 . VAL A 197 ? 0.8831 0.4284 0.6211 0.0208 0.1920 0.0212 420 VAL A CG1 1498 C CG2 . VAL A 197 ? 0.9943 0.5862 0.7570 -0.0027 0.1652 0.0132 420 VAL A CG2 1499 N N . THR A 198 ? 1.0384 0.5540 0.7881 0.0164 0.1868 -0.0223 421 THR A N 1500 C CA . THR A 198 ? 1.1626 0.6592 0.8955 0.0326 0.1919 -0.0265 421 THR A CA 1501 C C . THR A 198 ? 1.1965 0.6545 0.9221 0.0417 0.2120 -0.0120 421 THR A C 1502 O O . THR A 198 ? 1.1860 0.6156 0.9311 0.0310 0.2238 -0.0107 421 THR A O 1503 C CB . THR A 198 ? 1.2811 0.7665 1.0291 0.0275 0.1867 -0.0522 421 THR A CB 1504 O OG1 . THR A 198 ? 1.3657 0.8340 1.1435 0.0076 0.1912 -0.0616 421 THR A OG1 1505 C CG2 . THR A 198 ? 1.2710 0.8012 1.0160 0.0290 0.1671 -0.0642 421 THR A CG2 1506 N N . HIS A 199 ? 1.2893 0.7493 0.9865 0.0620 0.2162 0.0001 422 HIS A N 1507 C CA . HIS A 199 ? 1.4446 0.8706 1.1310 0.0748 0.2357 0.0146 422 HIS A CA 1508 C C . HIS A 199 ? 1.5823 0.9900 1.2484 0.0932 0.2373 0.0071 422 HIS A C 1509 O O . HIS A 199 ? 1.5772 1.0138 1.2230 0.1042 0.2248 0.0022 422 HIS A O 1510 C CB . HIS A 199 ? 1.4686 0.9162 1.1375 0.0853 0.2410 0.0372 422 HIS A CB 1511 C CG . HIS A 199 ? 1.5573 0.9757 1.2194 0.0976 0.2626 0.0545 422 HIS A CG 1512 N ND1 . HIS A 199 ? 1.5987 1.0010 1.2346 0.1197 0.2723 0.0609 422 HIS A ND1 1513 C CD2 . HIS A 199 ? 1.5654 0.9709 1.2434 0.0922 0.2766 0.0680 422 HIS A CD2 1514 C CE1 . HIS A 199 ? 1.6336 1.0130 1.2701 0.1273 0.2921 0.0781 422 HIS A CE1 1515 N NE2 . HIS A 199 ? 1.6083 0.9906 1.2707 0.1109 0.2951 0.0832 422 HIS A NE2 1516 N N . PRO A 200 ? 1.6652 1.0255 1.3371 0.0969 0.2520 0.0064 423 PRO A N 1517 C CA . PRO A 200 ? 1.7264 1.0627 1.3797 0.1158 0.2537 -0.0019 423 PRO A CA 1518 C C . PRO A 200 ? 1.7825 1.1427 1.3967 0.1404 0.2536 0.0111 423 PRO A C 1519 O O . PRO A 200 ? 1.7840 1.1478 1.3776 0.1567 0.2462 0.0005 423 PRO A O 1520 C CB . PRO A 200 ? 1.7570 1.0379 1.4232 0.1154 0.2740 0.0061 423 PRO A CB 1521 C CG . PRO A 200 ? 1.7291 1.0161 1.4112 0.1023 0.2847 0.0257 423 PRO A CG 1522 C CD . PRO A 200 ? 1.6906 1.0170 1.3877 0.0838 0.2677 0.0146 423 PRO A CD 1523 N N . HIS A 201 ? 1.8353 1.2147 1.4397 0.1436 0.2611 0.0328 424 HIS A N 1524 C CA . HIS A 201 ? 1.9102 1.3162 1.4789 0.1655 0.2621 0.0461 424 HIS A CA 1525 C C . HIS A 201 ? 1.7865 1.2467 1.3461 0.1625 0.2417 0.0416 424 HIS A C 1526 O O . HIS A 201 ? 1.7507 1.2376 1.2805 0.1798 0.2374 0.0467 424 HIS A O 1527 C CB . HIS A 201 ? 2.0955 1.5007 1.6596 0.1715 0.2793 0.0700 424 HIS A CB 1528 C CG . HIS A 201 ? 2.2836 1.7237 1.8144 0.1914 0.2797 0.0830 424 HIS A CG 1529 N ND1 . HIS A 201 ? 2.3858 1.8138 1.8859 0.2171 0.2917 0.0910 424 HIS A ND1 1530 C CD2 . HIS A 201 ? 2.3282 1.8153 1.8522 0.1892 0.2693 0.0892 424 HIS A CD2 1531 C CE1 . HIS A 201 ? 2.3980 1.8668 1.8731 0.2298 0.2891 0.1010 424 HIS A CE1 1532 N NE2 . HIS A 201 ? 2.3675 1.8718 1.8577 0.2125 0.2753 0.1001 424 HIS A NE2 1533 N N . LEU A 202 ? 1.6957 1.1732 1.2814 0.1405 0.2294 0.0332 425 LEU A N 1534 C CA . LEU A 202 ? 1.5784 1.1054 1.1606 0.1354 0.2094 0.0297 425 LEU A CA 1535 C C . LEU A 202 ? 1.6193 1.1577 1.1956 0.1411 0.1958 0.0110 425 LEU A C 1536 O O . LEU A 202 ? 1.6690 1.1790 1.2607 0.1370 0.1965 -0.0064 425 LEU A O 1537 C CB . LEU A 202 ? 1.4603 1.0014 1.0721 0.1114 0.2012 0.0278 425 LEU A CB 1538 C CG . LEU A 202 ? 1.3560 0.9152 0.9688 0.1076 0.2037 0.0457 425 LEU A CG 1539 C CD1 . LEU A 202 ? 1.2752 0.8500 0.9157 0.0854 0.1920 0.0409 425 LEU A CD1 1540 C CD2 . LEU A 202 ? 1.3392 0.9355 0.9248 0.1215 0.1969 0.0570 425 LEU A CD2 1541 N N . PRO A 203 ? 1.5698 1.1529 1.1250 0.1508 0.1827 0.0142 426 PRO A N 1542 C CA . PRO A 203 ? 1.4802 1.0856 1.0278 0.1593 0.1681 -0.0020 426 PRO A CA 1543 C C . PRO A 203 ? 1.3113 0.9243 0.8904 0.1409 0.1560 -0.0203 426 PRO A C 1544 O O . PRO A 203 ? 1.2892 0.8929 0.8742 0.1456 0.1513 -0.0408 426 PRO A O 1545 C CB . PRO A 203 ? 1.5433 1.2041 1.0689 0.1667 0.1561 0.0112 426 PRO A CB 1546 C CG . PRO A 203 ? 1.5779 1.2341 1.0902 0.1703 0.1686 0.0323 426 PRO A CG 1547 C CD . PRO A 203 ? 1.5736 1.1922 1.1126 0.1543 0.1804 0.0337 426 PRO A CD 1548 N N . ARG A 204 ? 1.1397 0.7704 0.7390 0.1214 0.1508 -0.0139 427 ARG A N 1549 C CA . ARG A 204 ? 0.9866 0.6335 0.6137 0.1047 0.1386 -0.0293 427 ARG A CA 1550 C C . ARG A 204 ? 0.9698 0.6087 0.6215 0.0830 0.1414 -0.0233 427 ARG A C 1551 O O . ARG A 204 ? 0.8783 0.5090 0.5250 0.0814 0.1496 -0.0059 427 ARG A O 1552 C CB . ARG A 204 ? 0.9819 0.6875 0.6019 0.1084 0.1194 -0.0282 427 ARG A CB 1553 C CG . ARG A 204 ? 1.0234 0.7602 0.6248 0.1117 0.1159 -0.0043 427 ARG A CG 1554 C CD . ARG A 204 ? 1.1983 0.9945 0.7991 0.1112 0.0965 -0.0008 427 ARG A CD 1555 N NE . ARG A 204 ? 1.3384 1.1568 0.9272 0.1278 0.0885 -0.0145 427 ARG A NE 1556 C CZ . ARG A 204 ? 1.4025 1.2762 0.9920 0.1306 0.0716 -0.0144 427 ARG A CZ 1557 N NH1 . ARG A 204 ? 1.2852 1.1937 0.8875 0.1164 0.0613 -0.0001 427 ARG A NH1 1558 N NH2 . ARG A 204 ? 1.4387 1.3340 1.0168 0.1484 0.0646 -0.0283 427 ARG A NH2 1559 N N . ALA A 205 ? 0.9272 0.5719 0.6051 0.0679 0.1340 -0.0388 428 ALA A N 1560 C CA . ALA A 205 ? 0.9505 0.5919 0.6516 0.0479 0.1345 -0.0358 428 ALA A CA 1561 C C . ALA A 205 ? 0.8707 0.5451 0.5655 0.0448 0.1259 -0.0163 428 ALA A C 1562 O O . ALA A 205 ? 0.8521 0.5656 0.5357 0.0508 0.1130 -0.0110 428 ALA A O 1563 C CB . ALA A 205 ? 0.9292 0.5821 0.6558 0.0349 0.1255 -0.0566 428 ALA A CB 1564 N N . LEU A 206 ? 0.8083 0.4681 0.5115 0.0356 0.1325 -0.0058 429 LEU A N 1565 C CA . LEU A 206 ? 0.7637 0.4499 0.4652 0.0314 0.1239 0.0104 429 LEU A CA 1566 C C . LEU A 206 ? 0.7130 0.4051 0.4401 0.0131 0.1164 0.0048 429 LEU A C 1567 O O . LEU A 206 ? 0.8108 0.4765 0.5530 0.0045 0.1256 -0.0021 429 LEU A O 1568 C CB . LEU A 206 ? 0.7372 0.4059 0.4263 0.0393 0.1366 0.0262 429 LEU A CB 1569 C CG . LEU A 206 ? 0.7740 0.4683 0.4585 0.0390 0.1286 0.0424 429 LEU A CG 1570 C CD1 . LEU A 206 ? 0.8678 0.5965 0.5336 0.0478 0.1175 0.0501 429 LEU A CD1 1571 C CD2 . LEU A 206 ? 0.7335 0.4090 0.4105 0.0474 0.1435 0.0537 429 LEU A CD2 1572 N N . MET A 207 ? 0.6545 0.3822 0.3867 0.0072 0.0997 0.0085 430 MET A N 1573 C CA . MET A 207 ? 0.6736 0.4088 0.4285 -0.0085 0.0915 0.0024 430 MET A CA 1574 C C . MET A 207 ? 0.7295 0.4813 0.4877 -0.0138 0.0811 0.0172 430 MET A C 1575 O O . MET A 207 ? 0.7215 0.4938 0.4676 -0.0078 0.0737 0.0312 430 MET A O 1576 C CB . MET A 207 ? 0.6754 0.4374 0.4404 -0.0123 0.0802 -0.0107 430 MET A CB 1577 C CG . MET A 207 ? 0.7955 0.5535 0.5840 -0.0267 0.0788 -0.0254 430 MET A CG 1578 S SD . MET A 207 ? 0.9460 0.7299 0.7465 -0.0274 0.0715 -0.0472 430 MET A SD 1579 C CE . MET A 207 ? 0.6744 0.5105 0.4761 -0.0280 0.0514 -0.0329 430 MET A CE 1580 N N . ARG A 208 ? 0.5999 0.3429 0.3750 -0.0250 0.0800 0.0133 431 ARG A N 1581 C CA . ARG A 208 ? 0.5789 0.3364 0.3609 -0.0306 0.0675 0.0234 431 ARG A CA 1582 C C . ARG A 208 ? 0.5383 0.3057 0.3396 -0.0431 0.0581 0.0127 431 ARG A C 1583 O O . ARG A 208 ? 0.5832 0.3377 0.3938 -0.0484 0.0658 -0.0024 431 ARG A O 1584 C CB . ARG A 208 ? 0.5980 0.3354 0.3795 -0.0281 0.0760 0.0294 431 ARG A CB 1585 C CG . ARG A 208 ? 0.6795 0.4088 0.4418 -0.0141 0.0868 0.0406 431 ARG A CG 1586 C CD . ARG A 208 ? 0.6440 0.3986 0.3967 -0.0094 0.0745 0.0543 431 ARG A CD 1587 N NE . ARG A 208 ? 0.9663 0.7332 0.7019 -0.0012 0.0753 0.0576 431 ARG A NE 1588 C CZ . ARG A 208 ? 0.9269 0.6978 0.6427 0.0115 0.0810 0.0677 431 ARG A CZ 1589 N NH1 . ARG A 208 ? 0.9803 0.7450 0.6923 0.0174 0.0866 0.0754 431 ARG A NH1 1590 N NH2 . ARG A 208 ? 1.0267 0.8117 0.7263 0.0195 0.0806 0.0696 431 ARG A NH2 1591 N N . SER A 209 ? 0.5631 0.3536 0.3710 -0.0479 0.0414 0.0206 432 SER A N 1592 C CA . SER A 209 ? 0.5264 0.3301 0.3510 -0.0580 0.0314 0.0121 432 SER A CA 1593 C C . SER A 209 ? 0.5483 0.3546 0.3810 -0.0627 0.0190 0.0203 432 SER A C 1594 O O . SER A 209 ? 0.5579 0.3694 0.3854 -0.0592 0.0115 0.0349 432 SER A O 1595 C CB . SER A 209 ? 0.5588 0.3955 0.3852 -0.0578 0.0209 0.0132 432 SER A CB 1596 O OG . SER A 209 ? 0.6572 0.4945 0.4765 -0.0515 0.0302 0.0033 432 SER A OG 1597 N N . THR A 210 ? 0.5223 0.3259 0.3680 -0.0702 0.0159 0.0099 433 THR A N 1598 C CA . THR A 210 ? 0.5071 0.3126 0.3608 -0.0735 0.0025 0.0150 433 THR A CA 1599 C C . THR A 210 ? 0.5341 0.3545 0.4008 -0.0811 -0.0080 0.0068 433 THR A C 1600 O O . THR A 210 ? 0.5612 0.3858 0.4320 -0.0846 -0.0011 -0.0072 433 THR A O 1601 C CB . THR A 210 ? 0.5684 0.3524 0.4221 -0.0710 0.0103 0.0117 433 THR A CB 1602 O OG1 . THR A 210 ? 0.5777 0.3657 0.4386 -0.0715 -0.0052 0.0161 433 THR A OG1 1603 C CG2 . THR A 210 ? 0.4996 0.2729 0.3592 -0.0761 0.0221 -0.0044 433 THR A CG2 1604 N N . THR A 211 ? 0.5123 0.3409 0.3858 -0.0830 -0.0249 0.0151 434 THR A N 1605 C CA . THR A 211 ? 0.5194 0.3624 0.4040 -0.0884 -0.0361 0.0097 434 THR A CA 1606 C C . THR A 211 ? 0.5367 0.3757 0.4276 -0.0885 -0.0532 0.0175 434 THR A C 1607 O O . THR A 211 ? 0.5263 0.3566 0.4144 -0.0849 -0.0575 0.0280 434 THR A O 1608 C CB . THR A 211 ? 0.5666 0.4378 0.4542 -0.0895 -0.0417 0.0155 434 THR A CB 1609 O OG1 . THR A 211 ? 0.4927 0.3795 0.3903 -0.0933 -0.0479 0.0067 434 THR A OG1 1610 C CG2 . THR A 211 ? 0.5529 0.4357 0.4411 -0.0884 -0.0558 0.0376 434 THR A CG2 1611 N N . LYS A 212 ? 0.4774 0.3231 0.3770 -0.0916 -0.0631 0.0112 435 LYS A N 1612 C CA . LYS A 212 ? 0.5598 0.3996 0.4660 -0.0906 -0.0809 0.0162 435 LYS A CA 1613 C C . LYS A 212 ? 0.5442 0.3905 0.4552 -0.0912 -0.0958 0.0365 435 LYS A C 1614 O O . LYS A 212 ? 0.6053 0.4693 0.5164 -0.0934 -0.0954 0.0470 435 LYS A O 1615 C CB . LYS A 212 ? 0.7122 0.5608 0.6254 -0.0928 -0.0893 0.0064 435 LYS A CB 1616 C CG . LYS A 212 ? 0.8005 0.6720 0.7207 -0.0958 -0.0987 0.0158 435 LYS A CG 1617 C CD . LYS A 212 ? 0.9146 0.7944 0.8405 -0.0960 -0.1078 0.0069 435 LYS A CD 1618 C CE . LYS A 212 ? 0.9839 0.8903 0.9173 -0.0973 -0.1156 0.0177 435 LYS A CE 1619 N NZ . LYS A 212 ? 1.0447 0.9515 0.9855 -0.0983 -0.1310 0.0418 435 LYS A NZ 1620 N N . THR A 213 ? 0.5882 0.4223 0.5043 -0.0890 -0.1096 0.0416 436 THR A N 1621 C CA . THR A 213 ? 0.6586 0.4971 0.5824 -0.0914 -0.1254 0.0606 436 THR A CA 1622 C C . THR A 213 ? 0.7098 0.5653 0.6441 -0.0967 -0.1377 0.0700 436 THR A C 1623 O O . THR A 213 ? 0.7021 0.5604 0.6394 -0.0967 -0.1399 0.0597 436 THR A O 1624 C CB . THR A 213 ? 0.7795 0.6014 0.7106 -0.0880 -0.1407 0.0606 436 THR A CB 1625 O OG1 . THR A 213 ? 0.7289 0.5547 0.6686 -0.0919 -0.1543 0.0793 436 THR A OG1 1626 C CG2 . THR A 213 ? 0.8761 0.6920 0.8157 -0.0870 -0.1548 0.0509 436 THR A CG2 1627 N N . SER A 214 ? 0.7899 0.6598 0.7298 -0.1007 -0.1452 0.0904 437 SER A N 1628 C CA . SER A 214 ? 0.9439 0.8333 0.8957 -0.1052 -0.1572 0.1040 437 SER A CA 1629 C C . SER A 214 ? 0.9675 0.8485 0.9346 -0.1094 -0.1790 0.1214 437 SER A C 1630 O O . SER A 214 ? 1.0527 0.9467 1.0327 -0.1136 -0.1915 0.1369 437 SER A O 1631 C CB . SER A 214 ? 0.9683 0.8892 0.9166 -0.1063 -0.1484 0.1155 437 SER A CB 1632 O OG . SER A 214 ? 0.9948 0.9177 0.9365 -0.1065 -0.1445 0.1263 437 SER A OG 1633 N N . GLY A 215 ? 0.7907 1.0386 0.6755 -0.0133 0.0192 -0.1667 438 GLY A N 1634 C CA . GLY A 215 ? 0.7753 1.0107 0.6396 -0.0265 0.0318 -0.1442 438 GLY A CA 1635 C C . GLY A 215 ? 0.7897 0.9948 0.6324 -0.0291 0.0305 -0.1203 438 GLY A C 1636 O O . GLY A 215 ? 0.7630 0.9583 0.6043 -0.0205 0.0201 -0.1211 438 GLY A O 1637 N N . PRO A 216 ? 0.8224 1.0129 0.6497 -0.0409 0.0403 -0.0997 439 PRO A N 1638 C CA . PRO A 216 ? 0.7581 0.9174 0.5684 -0.0441 0.0388 -0.0770 439 PRO A CA 1639 C C . PRO A 216 ? 0.5514 0.6828 0.3849 -0.0400 0.0300 -0.0764 439 PRO A C 1640 O O . PRO A 216 ? 0.4971 0.6301 0.3575 -0.0390 0.0288 -0.0876 439 PRO A O 1641 C CB . PRO A 216 ? 0.8628 1.0169 0.6623 -0.0582 0.0514 -0.0605 439 PRO A CB 1642 C CG . PRO A 216 ? 0.8592 1.0320 0.6818 -0.0614 0.0570 -0.0760 439 PRO A CG 1643 C CD . PRO A 216 ? 0.8671 1.0717 0.6939 -0.0520 0.0534 -0.0978 439 PRO A CD 1644 N N . ARG A 217 ? 0.5181 0.6254 0.3412 -0.0374 0.0240 -0.0631 440 ARG A N 1645 C CA . ARG A 217 ? 0.5742 0.6567 0.4170 -0.0337 0.0168 -0.0607 440 ARG A CA 1646 C C . ARG A 217 ? 0.5680 0.6237 0.4014 -0.0412 0.0203 -0.0409 440 ARG A C 1647 O O . ARG A 217 ? 0.5688 0.6180 0.3779 -0.0462 0.0237 -0.0265 440 ARG A O 1648 C CB . ARG A 217 ? 0.6133 0.6915 0.4591 -0.0226 0.0050 -0.0658 440 ARG A CB 1649 C CG . ARG A 217 ? 0.8527 0.9564 0.7131 -0.0139 -0.0008 -0.0879 440 ARG A CG 1650 C CD . ARG A 217 ? 1.0274 1.1226 0.9092 -0.0037 -0.0132 -0.0958 440 ARG A CD 1651 N NE . ARG A 217 ? 1.1344 1.2308 0.9989 0.0034 -0.0205 -0.0953 440 ARG A NE 1652 C CZ . ARG A 217 ? 1.1805 1.2552 1.0317 0.0041 -0.0238 -0.0805 440 ARG A CZ 1653 N NH1 . ARG A 217 ? 1.1250 1.1760 0.9784 -0.0019 -0.0202 -0.0656 440 ARG A NH1 1654 N NH2 . ARG A 217 ? 1.2420 1.3197 1.0782 0.0116 -0.0315 -0.0819 440 ARG A NH2 1655 N N . ALA A 218 ? 0.4640 0.5051 0.3175 -0.0416 0.0191 -0.0404 441 ALA A N 1656 C CA . ALA A 218 ? 0.5378 0.5552 0.3864 -0.0472 0.0213 -0.0250 441 ALA A CA 1657 C C . ALA A 218 ? 0.4715 0.4744 0.3409 -0.0414 0.0152 -0.0266 441 ALA A C 1658 O O . ALA A 218 ? 0.4151 0.4260 0.3062 -0.0390 0.0146 -0.0368 441 ALA A O 1659 C CB . ALA A 218 ? 0.5868 0.6088 0.4358 -0.0577 0.0310 -0.0223 441 ALA A CB 1660 N N . ALA A 219 ? 0.4531 0.4357 0.3161 -0.0387 0.0104 -0.0162 442 ALA A N 1661 C CA . ALA A 219 ? 0.4517 0.4228 0.3325 -0.0327 0.0052 -0.0164 442 ALA A CA 1662 C C . ALA A 219 ? 0.4297 0.3946 0.3209 -0.0368 0.0095 -0.0140 442 ALA A C 1663 O O . ALA A 219 ? 0.4277 0.3890 0.3095 -0.0444 0.0150 -0.0086 442 ALA A O 1664 C CB . ALA A 219 ? 0.4030 0.3568 0.2740 -0.0283 -0.0010 -0.0074 442 ALA A CB 1665 N N . PRO A 220 ? 0.4344 0.3987 0.3458 -0.0316 0.0068 -0.0176 443 PRO A N 1666 C CA . PRO A 220 ? 0.3735 0.3344 0.2953 -0.0333 0.0097 -0.0164 443 PRO A CA 1667 C C . PRO A 220 ? 0.4269 0.3705 0.3397 -0.0338 0.0091 -0.0067 443 PRO A C 1668 O O . PRO A 220 ? 0.4300 0.3635 0.3361 -0.0297 0.0046 -0.0015 443 PRO A O 1669 C CB . PRO A 220 ? 0.3333 0.2985 0.2773 -0.0261 0.0058 -0.0205 443 PRO A CB 1670 C CG . PRO A 220 ? 0.3769 0.3494 0.3260 -0.0218 0.0011 -0.0264 443 PRO A CG 1671 C CD . PRO A 220 ? 0.3607 0.3286 0.2873 -0.0235 0.0004 -0.0228 443 PRO A CD 1672 N N . GLU A 221 ? 0.3755 0.3165 0.2896 -0.0380 0.0127 -0.0057 444 GLU A N 1673 C CA . GLU A 221 ? 0.3714 0.2983 0.2827 -0.0366 0.0109 0.0002 444 GLU A CA 1674 C C . GLU A 221 ? 0.3970 0.3289 0.3239 -0.0304 0.0099 -0.0028 444 GLU A C 1675 O O . GLU A 221 ? 0.3855 0.3284 0.3230 -0.0314 0.0124 -0.0083 444 GLU A O 1676 C CB . GLU A 221 ? 0.4053 0.3278 0.3116 -0.0446 0.0148 0.0016 444 GLU A CB 1677 C CG . GLU A 221 ? 0.6107 0.5324 0.5035 -0.0533 0.0182 0.0057 444 GLU A CG 1678 C CD . GLU A 221 ? 0.6361 0.5606 0.5320 -0.0623 0.0239 0.0044 444 GLU A CD 1679 O OE1 . GLU A 221 ? 0.6414 0.5615 0.5467 -0.0613 0.0228 0.0020 444 GLU A OE1 1680 O OE2 . GLU A 221 ? 0.5650 0.4980 0.4547 -0.0701 0.0293 0.0052 444 GLU A OE2 1681 N N . VAL A 222 ? 0.3523 0.2773 0.2808 -0.0237 0.0063 0.0011 445 VAL A N 1682 C CA . VAL A 222 ? 0.3571 0.2890 0.2991 -0.0171 0.0059 0.0005 445 VAL A CA 1683 C C . VAL A 222 ? 0.4109 0.3373 0.3499 -0.0142 0.0050 0.0019 445 VAL A C 1684 O O . VAL A 222 ? 0.3201 0.2355 0.2506 -0.0129 0.0021 0.0046 445 VAL A O 1685 C CB . VAL A 222 ? 0.3525 0.2867 0.3028 -0.0107 0.0029 0.0032 445 VAL A CB 1686 C CG1 . VAL A 222 ? 0.2600 0.2024 0.2244 -0.0047 0.0034 0.0054 445 VAL A CG1 1687 C CG2 . VAL A 222 ? 0.3457 0.2863 0.3012 -0.0128 0.0023 -0.0008 445 VAL A CG2 1688 N N . TYR A 223 ? 0.3369 0.2712 0.2831 -0.0126 0.0066 -0.0010 446 TYR A N 1689 C CA . TYR A 223 ? 0.2965 0.2293 0.2410 -0.0083 0.0052 -0.0020 446 TYR A CA 1690 C C . TYR A 223 ? 0.3197 0.2654 0.2736 -0.0009 0.0057 -0.0010 446 TYR A C 1691 O O . TYR A 223 ? 0.3543 0.3085 0.3168 -0.0019 0.0074 -0.0019 446 TYR A O 1692 C CB . TYR A 223 ? 0.3635 0.2939 0.3061 -0.0145 0.0062 -0.0075 446 TYR A CB 1693 C CG . TYR A 223 ? 0.4293 0.3491 0.3638 -0.0238 0.0072 -0.0064 446 TYR A CG 1694 C CD1 . TYR A 223 ? 0.4853 0.3906 0.4118 -0.0244 0.0038 -0.0030 446 TYR A CD1 1695 C CD2 . TYR A 223 ? 0.4955 0.4208 0.4307 -0.0317 0.0114 -0.0083 446 TYR A CD2 1696 C CE1 . TYR A 223 ? 0.4746 0.3700 0.3931 -0.0332 0.0047 0.0008 446 TYR A CE1 1697 C CE2 . TYR A 223 ? 0.4640 0.3822 0.3903 -0.0404 0.0133 -0.0054 446 TYR A CE2 1698 C CZ . TYR A 223 ? 0.4465 0.3491 0.3640 -0.0413 0.0100 0.0003 446 TYR A CZ 1699 O OH . TYR A 223 ? 0.5227 0.4179 0.4309 -0.0501 0.0119 0.0057 446 TYR A OH 1700 N N . ALA A 224 ? 0.2707 0.2186 0.2231 0.0070 0.0041 0.0010 447 ALA A N 1701 C CA . ALA A 224 ? 0.3289 0.2907 0.2886 0.0146 0.0053 0.0049 447 ALA A CA 1702 C C . ALA A 224 ? 0.3131 0.2809 0.2682 0.0212 0.0038 0.0009 447 ALA A C 1703 O O . ALA A 224 ? 0.3523 0.3139 0.3008 0.0233 0.0011 -0.0031 447 ALA A O 1704 C CB . ALA A 224 ? 0.3460 0.3105 0.3098 0.0192 0.0056 0.0121 447 ALA A CB 1705 N N . PHE A 225 ? 0.3054 0.2858 0.2647 0.0251 0.0048 0.0014 448 PHE A N 1706 C CA . PHE A 225 ? 0.2634 0.2524 0.2180 0.0323 0.0027 -0.0041 448 PHE A CA 1707 C C . PHE A 225 ? 0.3073 0.3142 0.2639 0.0416 0.0044 0.0036 448 PHE A C 1708 O O . PHE A 225 ? 0.3325 0.3439 0.2974 0.0404 0.0067 0.0121 448 PHE A O 1709 C CB . PHE A 225 ? 0.3451 0.3329 0.3015 0.0279 0.0012 -0.0127 448 PHE A CB 1710 C CG . PHE A 225 ? 0.4673 0.4398 0.4228 0.0175 0.0008 -0.0183 448 PHE A CG 1711 C CD1 . PHE A 225 ? 0.6019 0.5655 0.5532 0.0170 -0.0026 -0.0250 448 PHE A CD1 1712 C CD2 . PHE A 225 ? 0.5076 0.4755 0.4672 0.0085 0.0036 -0.0167 448 PHE A CD2 1713 C CE1 . PHE A 225 ? 0.6516 0.6010 0.6025 0.0068 -0.0026 -0.0274 448 PHE A CE1 1714 C CE2 . PHE A 225 ? 0.6211 0.5774 0.5782 -0.0011 0.0042 -0.0202 448 PHE A CE2 1715 C CZ . PHE A 225 ? 0.5934 0.5400 0.5461 -0.0025 0.0015 -0.0242 448 PHE A CZ 1716 N N . ALA A 226 ? 0.3620 0.3797 0.3118 0.0511 0.0029 0.0005 449 ALA A N 1717 C CA . ALA A 226 ? 0.3237 0.3614 0.2726 0.0606 0.0050 0.0084 449 ALA A CA 1718 C C . ALA A 226 ? 0.3842 0.4317 0.3282 0.0665 0.0014 0.0000 449 ALA A C 1719 O O . ALA A 226 ? 0.3720 0.4173 0.3111 0.0689 -0.0029 -0.0131 449 ALA A O 1720 C CB . ALA A 226 ? 0.3037 0.3517 0.2477 0.0687 0.0066 0.0114 449 ALA A CB 1721 N N . THR A 227 ? 0.3699 0.4280 0.3168 0.0692 0.0021 0.0069 450 THR A N 1722 C CA . THR A 227 ? 0.3315 0.4017 0.2730 0.0768 -0.0020 -0.0008 450 THR A CA 1723 C C . THR A 227 ? 0.4155 0.5029 0.3455 0.0894 -0.0031 -0.0044 450 THR A C 1724 O O . THR A 227 ? 0.4210 0.5180 0.3479 0.0939 0.0012 0.0054 450 THR A O 1725 C CB . THR A 227 ? 0.3457 0.4261 0.2915 0.0795 -0.0016 0.0101 450 THR A CB 1726 O OG1 . THR A 227 ? 0.4224 0.5146 0.3678 0.0843 0.0032 0.0275 450 THR A OG1 1727 C CG2 . THR A 227 ? 0.3069 0.3729 0.2658 0.0685 -0.0017 0.0107 450 THR A CG2 1728 N N . PRO A 228 ? 0.3868 0.4799 0.3118 0.0956 -0.0091 -0.0198 451 PRO A N 1729 C CA . PRO A 228 ? 0.4737 0.5885 0.3876 0.1101 -0.0111 -0.0250 451 PRO A CA 1730 C C . PRO A 228 ? 0.4399 0.5766 0.3475 0.1188 -0.0086 -0.0113 451 PRO A C 1731 O O . PRO A 228 ? 0.3861 0.5181 0.2998 0.1138 -0.0080 -0.0027 451 PRO A O 1732 C CB . PRO A 228 ? 0.5213 0.6353 0.4357 0.1134 -0.0195 -0.0459 451 PRO A CB 1733 C CG . PRO A 228 ? 0.5199 0.6122 0.4458 0.0996 -0.0207 -0.0499 451 PRO A CG 1734 C CD . PRO A 228 ? 0.4356 0.5191 0.3665 0.0903 -0.0142 -0.0329 451 PRO A CD 1735 N N . GLU A 229 ? 0.4295 0.5904 0.3255 0.1319 -0.0073 -0.0093 452 GLU A N 1736 C CA . GLU A 229 ? 0.4685 0.6524 0.3562 0.1411 -0.0050 0.0052 452 GLU A CA 1737 C C . GLU A 229 ? 0.5215 0.7097 0.4069 0.1458 -0.0124 -0.0030 452 GLU A C 1738 O O . GLU A 229 ? 0.4276 0.6175 0.3106 0.1508 -0.0198 -0.0238 452 GLU A O 1739 C CB . GLU A 229 ? 0.4016 0.6147 0.2753 0.1554 -0.0021 0.0068 452 GLU A CB 1740 C CG . GLU A 229 ? 0.5295 0.7692 0.3923 0.1655 0.0010 0.0241 452 GLU A CG 1741 C CD . GLU A 229 ? 0.6839 0.9559 0.5325 0.1789 0.0060 0.0277 452 GLU A CD 1742 O OE1 . GLU A 229 ? 0.6074 0.8790 0.4598 0.1763 0.0114 0.0289 452 GLU A OE1 1743 O OE2 . GLU A 229 ? 0.7005 0.9998 0.5338 0.1927 0.0043 0.0291 452 GLU A OE2 1744 N N . TRP A 230 ? 0.4467 0.6366 0.3349 0.1444 -0.0111 0.0130 453 TRP A N 1745 C CA . TRP A 230 ? 0.4425 0.6378 0.3288 0.1498 -0.0185 0.0069 453 TRP A CA 1746 C C . TRP A 230 ? 0.4627 0.6891 0.3317 0.1662 -0.0187 0.0163 453 TRP A C 1747 O O . TRP A 230 ? 0.4110 0.6491 0.2755 0.1683 -0.0114 0.0379 453 TRP A O 1748 C CB . TRP A 230 ? 0.3937 0.5721 0.2948 0.1392 -0.0185 0.0176 453 TRP A CB 1749 C CG . TRP A 230 ? 0.3831 0.5624 0.2867 0.1425 -0.0271 0.0070 453 TRP A CG 1750 C CD1 . TRP A 230 ? 0.3723 0.5667 0.2701 0.1523 -0.0313 0.0161 453 TRP A CD1 1751 C CD2 . TRP A 230 ? 0.3944 0.5596 0.3078 0.1360 -0.0328 -0.0146 453 TRP A CD2 1752 N NE1 . TRP A 230 ? 0.4054 0.5958 0.3093 0.1528 -0.0399 -0.0003 453 TRP A NE1 1753 C CE2 . TRP A 230 ? 0.4355 0.6087 0.3499 0.1424 -0.0404 -0.0192 453 TRP A CE2 1754 C CE3 . TRP A 230 ? 0.4328 0.5799 0.3550 0.1251 -0.0322 -0.0294 453 TRP A CE3 1755 C CZ2 . TRP A 230 ? 0.4278 0.5926 0.3532 0.1381 -0.0469 -0.0393 453 TRP A CZ2 1756 C CZ3 . TRP A 230 ? 0.5164 0.6549 0.4487 0.1202 -0.0379 -0.0475 453 TRP A CZ3 1757 C CH2 . TRP A 230 ? 0.4745 0.6223 0.4092 0.1266 -0.0449 -0.0528 453 TRP A CH2 1758 N N . PRO A 231 ? 0.4625 0.7037 0.3218 0.1782 -0.0272 0.0000 454 PRO A N 1759 C CA . PRO A 231 ? 0.5060 0.7800 0.3458 0.1954 -0.0278 0.0078 454 PRO A CA 1760 C C . PRO A 231 ? 0.5452 0.8245 0.3839 0.1951 -0.0233 0.0375 454 PRO A C 1761 O O . PRO A 231 ? 0.5376 0.8011 0.3881 0.1884 -0.0270 0.0421 454 PRO A O 1762 C CB . PRO A 231 ? 0.5721 0.8541 0.4078 0.2053 -0.0398 -0.0146 454 PRO A CB 1763 C CG . PRO A 231 ? 0.6370 0.8959 0.4879 0.1954 -0.0439 -0.0385 454 PRO A CG 1764 C CD . PRO A 231 ? 0.5704 0.8009 0.4369 0.1767 -0.0364 -0.0264 454 PRO A CD 1765 N N . GLY A 232 ? 0.4974 0.7992 0.3239 0.2020 -0.0154 0.0571 455 GLY A N 1766 C CA . GLY A 232 ? 0.5274 0.8351 0.3545 0.2015 -0.0107 0.0881 455 GLY A CA 1767 C C . GLY A 232 ? 0.5813 0.8714 0.4263 0.1867 -0.0013 0.1080 455 GLY A C 1768 O O . GLY A 232 ? 0.6441 0.9377 0.4938 0.1850 0.0030 0.1350 455 GLY A O 1769 N N . SER A 233 ? 0.4596 0.7309 0.3156 0.1762 0.0014 0.0951 456 SER A N 1770 C CA . SER A 233 ? 0.4895 0.7430 0.3640 0.1623 0.0089 0.1102 456 SER A CA 1771 C C . SER A 233 ? 0.5657 0.8243 0.4381 0.1612 0.0160 0.1053 456 SER A C 1772 O O . SER A 233 ? 0.4395 0.6761 0.3233 0.1509 0.0160 0.0938 456 SER A O 1773 C CB . SER A 233 ? 0.5818 0.8023 0.4759 0.1484 0.0041 0.0999 456 SER A CB 1774 O OG . SER A 233 ? 0.6551 0.8697 0.5571 0.1476 -0.0014 0.1085 456 SER A OG 1775 N N . ARG A 234 ? 0.5447 0.8335 0.4025 0.1720 0.0221 0.1144 457 ARG A N 1776 C CA . ARG A 234 ? 0.5797 0.8775 0.4342 0.1737 0.0276 0.1058 457 ARG A CA 1777 C C . ARG A 234 ? 0.5054 0.7891 0.3786 0.1610 0.0356 0.1187 457 ARG A C 1778 O O . ARG A 234 ? 0.4856 0.7640 0.3618 0.1585 0.0371 0.1058 457 ARG A O 1779 C CB . ARG A 234 ? 0.6871 1.0257 0.5208 0.1899 0.0322 0.1105 457 ARG A CB 1780 C CG . ARG A 234 ? 0.8682 1.2182 0.6969 0.1952 0.0342 0.0921 457 ARG A CG 1781 C CD . ARG A 234 ? 1.0775 1.4707 0.8886 0.2100 0.0414 0.0997 457 ARG A CD 1782 N NE . ARG A 234 ? 1.1927 1.5948 1.0050 0.2127 0.0445 0.0848 457 ARG A NE 1783 C CZ . ARG A 234 ? 1.2132 1.6536 1.0128 0.2252 0.0511 0.0859 457 ARG A CZ 1784 N NH1 . ARG A 234 ? 1.1799 1.6545 0.9625 0.2360 0.0562 0.1028 457 ARG A NH1 1785 N NH2 . ARG A 234 ? 1.2142 1.6598 1.0180 0.2274 0.0525 0.0702 457 ARG A NH2 1786 N N . ASP A 235 ? 0.4617 0.7394 0.3488 0.1533 0.0400 0.1433 458 ASP A N 1787 C CA . ASP A 235 ? 0.5125 0.7819 0.4188 0.1428 0.0477 0.1566 458 ASP A CA 1788 C C . ASP A 235 ? 0.4983 0.7328 0.4273 0.1280 0.0439 0.1550 458 ASP A C 1789 O O . ASP A 235 ? 0.5192 0.7461 0.4676 0.1192 0.0489 0.1690 458 ASP A O 1790 C CB . ASP A 235 ? 0.5524 0.8445 0.4622 0.1448 0.0571 0.1872 458 ASP A CB 1791 C CG . ASP A 235 ? 0.6965 1.0276 0.5833 0.1595 0.0628 0.1896 458 ASP A CG 1792 O OD1 . ASP A 235 ? 0.6223 0.9621 0.4982 0.1657 0.0622 0.1684 458 ASP A OD1 1793 O OD2 . ASP A 235 ? 0.6873 1.0409 0.5672 0.1653 0.0673 0.2126 458 ASP A OD2 1794 N N . LYS A 236 ? 0.4898 0.7050 0.4173 0.1255 0.0350 0.1371 459 LYS A N 1795 C CA . LYS A 236 ? 0.5223 0.7073 0.4691 0.1124 0.0314 0.1323 459 LYS A CA 1796 C C . LYS A 236 ? 0.5284 0.6962 0.4697 0.1097 0.0248 0.1058 459 LYS A C 1797 O O . LYS A 236 ? 0.4303 0.6057 0.3563 0.1175 0.0202 0.0915 459 LYS A O 1798 C CB . LYS A 236 ? 0.6266 0.8037 0.5861 0.1090 0.0276 0.1454 459 LYS A CB 1799 C CG . LYS A 236 ? 0.6950 0.8850 0.6395 0.1192 0.0222 0.1445 459 LYS A CG 1800 C CD . LYS A 236 ? 0.7599 0.9443 0.7191 0.1168 0.0189 0.1621 459 LYS A CD 1801 C CE . LYS A 236 ? 0.8489 1.0458 0.7930 0.1277 0.0123 0.1610 459 LYS A CE 1802 N NZ . LYS A 236 ? 0.8568 1.0478 0.8161 0.1262 0.0078 0.1789 459 LYS A NZ 1803 N N . ARG A 237 ? 0.4476 0.5929 0.4022 0.0986 0.0243 0.0997 460 ARG A N 1804 C CA . ARG A 237 ? 0.4578 0.5845 0.4102 0.0936 0.0187 0.0783 460 ARG A CA 1805 C C . ARG A 237 ? 0.3547 0.4599 0.3248 0.0818 0.0168 0.0791 460 ARG A C 1806 O O . ARG A 237 ? 0.3446 0.4476 0.3301 0.0774 0.0196 0.0938 460 ARG A O 1807 C CB . ARG A 237 ? 0.4544 0.5775 0.4006 0.0936 0.0198 0.0664 460 ARG A CB 1808 C CG . ARG A 237 ? 0.4985 0.6437 0.4285 0.1061 0.0204 0.0609 460 ARG A CG 1809 C CD . ARG A 237 ? 0.4496 0.5979 0.3680 0.1125 0.0134 0.0442 460 ARG A CD 1810 N NE . ARG A 237 ? 0.5379 0.7051 0.4429 0.1244 0.0125 0.0336 460 ARG A NE 1811 C CZ . ARG A 237 ? 0.7772 0.9360 0.6806 0.1246 0.0088 0.0163 460 ARG A CZ 1812 N NH1 . ARG A 237 ? 0.7695 0.9014 0.6819 0.1131 0.0064 0.0095 460 ARG A NH1 1813 N NH2 . ARG A 237 ? 0.7831 0.9612 0.6763 0.1368 0.0071 0.0057 460 ARG A NH2 1814 N N . THR A 238 ? 0.2962 0.3867 0.2656 0.0766 0.0120 0.0628 461 THR A N 1815 C CA . THR A 238 ? 0.3239 0.3965 0.3085 0.0659 0.0106 0.0608 461 THR A CA 1816 C C . THR A 238 ? 0.3276 0.3853 0.3090 0.0592 0.0104 0.0477 461 THR A C 1817 O O . THR A 238 ? 0.3229 0.3793 0.2925 0.0611 0.0084 0.0350 461 THR A O 1818 C CB . THR A 238 ? 0.3299 0.3996 0.3191 0.0647 0.0055 0.0550 461 THR A CB 1819 O OG1 . THR A 238 ? 0.3390 0.4219 0.3312 0.0716 0.0049 0.0694 461 THR A OG1 1820 C CG2 . THR A 238 ? 0.3307 0.3849 0.3362 0.0543 0.0041 0.0510 461 THR A CG2 1821 N N . LEU A 239 ? 0.3140 0.3610 0.3070 0.0518 0.0120 0.0512 462 LEU A N 1822 C CA . LEU A 239 ? 0.2851 0.3173 0.2751 0.0451 0.0114 0.0406 462 LEU A CA 1823 C C . LEU A 239 ? 0.2918 0.3133 0.2895 0.0368 0.0089 0.0331 462 LEU A C 1824 O O . LEU A 239 ? 0.3107 0.3330 0.3227 0.0349 0.0081 0.0383 462 LEU A O 1825 C CB . LEU A 239 ? 0.2668 0.2959 0.2634 0.0433 0.0140 0.0477 462 LEU A CB 1826 C CG . LEU A 239 ? 0.3388 0.3830 0.3321 0.0515 0.0176 0.0573 462 LEU A CG 1827 C CD1 . LEU A 239 ? 0.3926 0.4338 0.3942 0.0494 0.0199 0.0622 462 LEU A CD1 1828 C CD2 . LEU A 239 ? 0.2905 0.3407 0.2660 0.0583 0.0166 0.0479 462 LEU A CD2 1829 N N . ALA A 240 ? 0.2959 0.3078 0.2853 0.0320 0.0077 0.0209 463 ALA A N 1830 C CA . ALA A 240 ? 0.3359 0.3403 0.3313 0.0238 0.0066 0.0130 463 ALA A CA 1831 C C . ALA A 240 ? 0.3385 0.3307 0.3287 0.0170 0.0074 0.0085 463 ALA A C 1832 O O . ALA A 240 ? 0.3935 0.3803 0.3724 0.0176 0.0073 0.0058 463 ALA A O 1833 C CB . ALA A 240 ? 0.2948 0.3018 0.2862 0.0237 0.0046 0.0031 463 ALA A CB 1834 N N . CYS A 241 ? 0.2996 0.2878 0.2984 0.0112 0.0075 0.0075 464 CYS A N 1835 C CA . CYS A 241 ? 0.3201 0.2984 0.3130 0.0054 0.0080 0.0043 464 CYS A CA 1836 C C . CYS A 241 ? 0.3362 0.3132 0.3301 -0.0023 0.0085 -0.0046 464 CYS A C 1837 O O . CYS A 241 ? 0.3295 0.3127 0.3363 -0.0033 0.0077 -0.0071 464 CYS A O 1838 C CB . CYS A 241 ? 0.3199 0.2976 0.3221 0.0065 0.0074 0.0105 464 CYS A CB 1839 S SG . CYS A 241 ? 0.3601 0.3267 0.3531 0.0021 0.0067 0.0079 464 CYS A SG 1840 N N . LEU A 242 ? 0.2932 0.2631 0.2751 -0.0077 0.0097 -0.0093 465 LEU A N 1841 C CA . LEU A 242 ? 0.2834 0.2543 0.2651 -0.0158 0.0116 -0.0168 465 LEU A CA 1842 C C . LEU A 242 ? 0.2812 0.2460 0.2559 -0.0201 0.0123 -0.0155 465 LEU A C 1843 O O . LEU A 242 ? 0.3574 0.3120 0.3203 -0.0206 0.0118 -0.0114 465 LEU A O 1844 C CB . LEU A 242 ? 0.3062 0.2744 0.2812 -0.0201 0.0130 -0.0217 465 LEU A CB 1845 C CG . LEU A 242 ? 0.3289 0.2978 0.3016 -0.0301 0.0165 -0.0274 465 LEU A CG 1846 C CD1 . LEU A 242 ? 0.3111 0.2929 0.2961 -0.0315 0.0176 -0.0342 465 LEU A CD1 1847 C CD2 . LEU A 242 ? 0.3178 0.2834 0.2879 -0.0343 0.0174 -0.0313 465 LEU A CD2 1848 N N . ILE A 243 ? 0.3069 0.2784 0.2892 -0.0222 0.0124 -0.0195 466 ILE A N 1849 C CA . ILE A 243 ? 0.2837 0.2526 0.2590 -0.0251 0.0124 -0.0197 466 ILE A CA 1850 C C . ILE A 243 ? 0.3514 0.3280 0.3235 -0.0326 0.0160 -0.0274 466 ILE A C 1851 O O . ILE A 243 ? 0.3348 0.3230 0.3195 -0.0329 0.0164 -0.0350 466 ILE A O 1852 C CB . ILE A 243 ? 0.3130 0.2860 0.3016 -0.0199 0.0087 -0.0195 466 ILE A CB 1853 C CG1 . ILE A 243 ? 0.3389 0.3071 0.3324 -0.0132 0.0066 -0.0109 466 ILE A CG1 1854 C CG2 . ILE A 243 ? 0.3588 0.3307 0.3396 -0.0216 0.0076 -0.0214 466 ILE A CG2 1855 C CD1 . ILE A 243 ? 0.3399 0.3139 0.3540 -0.0086 0.0033 -0.0097 466 ILE A CD1 1856 N N . GLN A 244 ? 0.3087 0.2797 0.2646 -0.0385 0.0187 -0.0249 467 GLN A N 1857 C CA . GLN A 244 ? 0.3314 0.3115 0.2837 -0.0465 0.0238 -0.0305 467 GLN A CA 1858 C C . GLN A 244 ? 0.3816 0.3608 0.3170 -0.0520 0.0264 -0.0271 467 GLN A C 1859 O O . GLN A 244 ? 0.3755 0.3428 0.2990 -0.0503 0.0237 -0.0192 467 GLN A O 1860 C CB . GLN A 244 ? 0.3658 0.3439 0.3192 -0.0512 0.0268 -0.0310 467 GLN A CB 1861 C CG . GLN A 244 ? 0.3609 0.3224 0.3032 -0.0528 0.0260 -0.0225 467 GLN A CG 1862 C CD . GLN A 244 ? 0.3734 0.3341 0.3204 -0.0574 0.0280 -0.0255 467 GLN A CD 1863 O OE1 . GLN A 244 ? 0.3870 0.3588 0.3463 -0.0568 0.0289 -0.0334 467 GLN A OE1 1864 N NE2 . GLN A 244 ? 0.4563 0.4039 0.3957 -0.0616 0.0278 -0.0197 467 GLN A NE2 1865 N N . ASN A 245 ? 0.3468 0.3404 0.2815 -0.0583 0.0317 -0.0333 468 ASN A N 1866 C CA . ASN A 245 ? 0.3987 0.3961 0.3163 -0.0649 0.0361 -0.0296 468 ASN A CA 1867 C C . ASN A 245 ? 0.4863 0.4892 0.3969 -0.0598 0.0326 -0.0312 468 ASN A C 1868 O O . ASN A 245 ? 0.4425 0.4447 0.3348 -0.0629 0.0343 -0.0249 468 ASN A O 1869 C CB . ASN A 245 ? 0.4131 0.3929 0.3169 -0.0708 0.0376 -0.0168 468 ASN A CB 1870 C CG . ASN A 245 ? 0.5274 0.5065 0.4392 -0.0778 0.0420 -0.0177 468 ASN A CG 1871 O OD1 . ASN A 245 ? 0.5040 0.4991 0.4271 -0.0807 0.0461 -0.0272 468 ASN A OD1 1872 N ND2 . ASN A 245 ? 0.4680 0.4291 0.3762 -0.0799 0.0402 -0.0093 468 ASN A ND2 1873 N N . PHE A 246 ? 0.3808 0.3895 0.3071 -0.0517 0.0273 -0.0396 469 PHE A N 1874 C CA . PHE A 246 ? 0.3354 0.3511 0.2603 -0.0459 0.0225 -0.0443 469 PHE A CA 1875 C C . PHE A 246 ? 0.3966 0.4365 0.3266 -0.0464 0.0247 -0.0583 469 PHE A C 1876 O O . PHE A 246 ? 0.4086 0.4601 0.3511 -0.0491 0.0281 -0.0665 469 PHE A O 1877 C CB . PHE A 246 ? 0.4072 0.4158 0.3493 -0.0370 0.0148 -0.0455 469 PHE A CB 1878 C CG . PHE A 246 ? 0.3402 0.3540 0.3062 -0.0346 0.0136 -0.0520 469 PHE A CG 1879 C CD1 . PHE A 246 ? 0.3540 0.3840 0.3382 -0.0315 0.0109 -0.0654 469 PHE A CD1 1880 C CD2 . PHE A 246 ? 0.3804 0.3834 0.3512 -0.0347 0.0144 -0.0452 469 PHE A CD2 1881 C CE1 . PHE A 246 ? 0.3250 0.3583 0.3319 -0.0290 0.0087 -0.0703 469 PHE A CE1 1882 C CE2 . PHE A 246 ? 0.3586 0.3665 0.3498 -0.0319 0.0127 -0.0497 469 PHE A CE2 1883 C CZ . PHE A 246 ? 0.3396 0.3616 0.3490 -0.0293 0.0098 -0.0615 469 PHE A CZ 1884 N N . MET A 247 ? 0.4282 0.4770 0.3489 -0.0428 0.0220 -0.0621 470 MET A N 1885 C CA . MET A 247 ? 0.4688 0.5432 0.3936 -0.0411 0.0226 -0.0775 470 MET A CA 1886 C C . MET A 247 ? 0.4539 0.5323 0.3787 -0.0322 0.0142 -0.0836 470 MET A C 1887 O O . MET A 247 ? 0.4312 0.4976 0.3386 -0.0309 0.0118 -0.0734 470 MET A O 1888 C CB . MET A 247 ? 0.5528 0.6408 0.4554 -0.0495 0.0322 -0.0744 470 MET A CB 1889 C CG . MET A 247 ? 0.6874 0.7834 0.5973 -0.0577 0.0406 -0.0766 470 MET A CG 1890 S SD . MET A 247 ? 1.4357 1.5529 1.3225 -0.0680 0.0528 -0.0732 470 MET A SD 1891 C CE . MET A 247 ? 0.5048 0.5975 0.3630 -0.0720 0.0532 -0.0494 470 MET A CE 1892 N N . PRO A 248 ? 0.4822 0.5772 0.4283 -0.0256 0.0085 -0.1012 471 PRO A N 1893 C CA . PRO A 248 ? 0.3979 0.5073 0.3679 -0.0255 0.0091 -0.1152 471 PRO A CA 1894 C C . PRO A 248 ? 0.4635 0.5555 0.4551 -0.0251 0.0064 -0.1097 471 PRO A C 1895 O O . PRO A 248 ? 0.3974 0.4684 0.3833 -0.0255 0.0057 -0.0952 471 PRO A O 1896 C CB . PRO A 248 ? 0.4500 0.5766 0.4374 -0.0161 0.0000 -0.1342 471 PRO A CB 1897 C CG . PRO A 248 ? 0.5007 0.6120 0.4851 -0.0107 -0.0074 -0.1271 471 PRO A CG 1898 C CD . PRO A 248 ? 0.5392 0.6409 0.4887 -0.0165 -0.0005 -0.1103 471 PRO A CD 1899 N N . GLU A 249 ? 0.3466 0.4486 0.3630 -0.0233 0.0043 -0.1216 472 GLU A N 1900 C CA . GLU A 249 ? 0.4193 0.5076 0.4532 -0.0235 0.0029 -0.1154 472 GLU A CA 1901 C C . GLU A 249 ? 0.4138 0.4892 0.4687 -0.0164 -0.0062 -0.1118 472 GLU A C 1902 O O . GLU A 249 ? 0.4615 0.5234 0.5251 -0.0163 -0.0068 -0.1016 472 GLU A O 1903 C CB . GLU A 249 ? 0.4510 0.5545 0.5038 -0.0241 0.0035 -0.1287 472 GLU A CB 1904 C CG . GLU A 249 ? 0.5477 0.6648 0.6294 -0.0164 -0.0059 -0.1465 472 GLU A CG 1905 C CD . GLU A 249 ? 0.6517 0.7824 0.7540 -0.0163 -0.0066 -0.1598 472 GLU A CD 1906 O OE1 . GLU A 249 ? 0.7301 0.8812 0.8246 -0.0197 -0.0006 -0.1711 472 GLU A OE1 1907 O OE2 . GLU A 249 ? 0.5769 0.6986 0.7034 -0.0127 -0.0130 -0.1585 472 GLU A OE2 1908 N N . ASP A 250 ? 0.3253 0.4067 0.3895 -0.0105 -0.0134 -0.1204 473 ASP A N 1909 C CA . ASP A 250 ? 0.3745 0.4452 0.4626 -0.0045 -0.0220 -0.1174 473 ASP A CA 1910 C C . ASP A 250 ? 0.3677 0.4182 0.4423 -0.0057 -0.0199 -0.0984 473 ASP A C 1911 O O . ASP A 250 ? 0.3938 0.4399 0.4436 -0.0072 -0.0172 -0.0926 473 ASP A O 1912 C CB . ASP A 250 ? 0.3866 0.4688 0.4873 0.0021 -0.0306 -0.1322 473 ASP A CB 1913 C CG . ASP A 250 ? 0.5119 0.6172 0.6243 0.0043 -0.0330 -0.1536 473 ASP A CG 1914 O OD1 . ASP A 250 ? 0.5712 0.6798 0.7125 0.0063 -0.0375 -0.1613 473 ASP A OD1 1915 O OD2 . ASP A 250 ? 0.5654 0.6866 0.6579 0.0044 -0.0304 -0.1627 473 ASP A OD2 1916 N N . ILE A 251 ? 0.3483 0.3877 0.4397 -0.0045 -0.0214 -0.0887 474 ILE A N 1917 C CA . ILE A 251 ? 0.3151 0.3383 0.3954 -0.0051 -0.0188 -0.0717 474 ILE A CA 1918 C C . ILE A 251 ? 0.3745 0.3915 0.4825 -0.0013 -0.0232 -0.0643 474 ILE A C 1919 O O . ILE A 251 ? 0.3618 0.3832 0.4925 -0.0001 -0.0262 -0.0680 474 ILE A O 1920 C CB . ILE A 251 ? 0.2625 0.2794 0.3188 -0.0107 -0.0105 -0.0625 474 ILE A CB 1921 C CG1 . ILE A 251 ? 0.3055 0.3075 0.3467 -0.0104 -0.0085 -0.0480 474 ILE A CG1 1922 C CG2 . ILE A 251 ? 0.2897 0.3088 0.3593 -0.0115 -0.0092 -0.0623 474 ILE A CG2 1923 C CD1 . ILE A 251 ? 0.3167 0.3127 0.3314 -0.0159 -0.0020 -0.0424 474 ILE A CD1 1924 N N . SER A 252 ? 0.2707 0.2783 0.3780 0.0007 -0.0240 -0.0538 475 SER A N 1925 C CA . SER A 252 ? 0.3458 0.3481 0.4760 0.0032 -0.0259 -0.0428 475 SER A CA 1926 C C . SER A 252 ? 0.3970 0.3903 0.5081 0.0023 -0.0196 -0.0276 475 SER A C 1927 O O . SER A 252 ? 0.3774 0.3656 0.4649 0.0013 -0.0170 -0.0256 475 SER A O 1928 C CB . SER A 252 ? 0.2961 0.2986 0.4488 0.0071 -0.0328 -0.0451 475 SER A CB 1929 O OG . SER A 252 ? 0.3142 0.3259 0.4891 0.0092 -0.0402 -0.0610 475 SER A OG 1930 N N . VAL A 253 ? 0.3003 0.2925 0.4221 0.0032 -0.0179 -0.0172 476 VAL A N 1931 C CA . VAL A 253 ? 0.3297 0.3167 0.4351 0.0037 -0.0123 -0.0043 476 VAL A CA 1932 C C . VAL A 253 ? 0.2993 0.2866 0.4246 0.0070 -0.0128 0.0085 476 VAL A C 1933 O O . VAL A 253 ? 0.3756 0.3664 0.5268 0.0080 -0.0158 0.0115 476 VAL A O 1934 C CB . VAL A 253 ? 0.3596 0.3480 0.4542 0.0024 -0.0086 -0.0027 476 VAL A CB 1935 C CG1 . VAL A 253 ? 0.3221 0.3073 0.4009 0.0044 -0.0039 0.0087 476 VAL A CG1 1936 C CG2 . VAL A 253 ? 0.3063 0.2960 0.3839 -0.0020 -0.0070 -0.0145 476 VAL A CG2 1937 N N . GLN A 254 ? 0.3221 0.3065 0.4370 0.0087 -0.0098 0.0163 477 GLN A N 1938 C CA . GLN A 254 ? 0.3123 0.3001 0.4433 0.0116 -0.0081 0.0301 477 GLN A CA 1939 C C . GLN A 254 ? 0.3790 0.3673 0.4882 0.0138 -0.0022 0.0384 477 GLN A C 1940 O O . GLN A 254 ? 0.3314 0.3147 0.4158 0.0132 -0.0009 0.0328 477 GLN A O 1941 C CB . GLN A 254 ? 0.4124 0.4004 0.5634 0.0126 -0.0116 0.0301 477 GLN A CB 1942 C CG . GLN A 254 ? 0.6698 0.6527 0.8032 0.0129 -0.0131 0.0218 477 GLN A CG 1943 C CD . GLN A 254 ? 0.7069 0.6891 0.8457 0.0118 -0.0196 0.0072 477 GLN A CD 1944 O OE1 . GLN A 254 ? 0.6098 0.5950 0.7580 0.0103 -0.0221 0.0004 477 GLN A OE1 1945 N NE2 . GLN A 254 ? 0.7955 0.7751 0.9285 0.0134 -0.0230 0.0014 477 GLN A NE2 1946 N N . TRP A 255 ? 0.2703 0.2655 0.3898 0.0167 0.0012 0.0519 478 TRP A N 1947 C CA . TRP A 255 ? 0.2782 0.2776 0.3793 0.0203 0.0064 0.0586 478 TRP A CA 1948 C C . TRP A 255 ? 0.2228 0.2281 0.3384 0.0225 0.0084 0.0673 478 TRP A C 1949 O O . TRP A 255 ? 0.3447 0.3536 0.4875 0.0214 0.0073 0.0741 478 TRP A O 1950 C CB . TRP A 255 ? 0.3129 0.3200 0.4103 0.0229 0.0096 0.0672 478 TRP A CB 1951 C CG . TRP A 255 ? 0.3059 0.3091 0.3883 0.0214 0.0082 0.0582 478 TRP A CG 1952 C CD1 . TRP A 255 ? 0.3226 0.3233 0.4152 0.0183 0.0045 0.0526 478 TRP A CD1 1953 C CD2 . TRP A 255 ? 0.3424 0.3448 0.3996 0.0231 0.0100 0.0529 478 TRP A CD2 1954 N NE1 . TRP A 255 ? 0.3515 0.3507 0.4264 0.0176 0.0048 0.0445 478 TRP A NE1 1955 C CE2 . TRP A 255 ? 0.3733 0.3728 0.4270 0.0202 0.0079 0.0448 478 TRP A CE2 1956 C CE3 . TRP A 255 ? 0.3358 0.3401 0.3754 0.0270 0.0125 0.0531 478 TRP A CE3 1957 C CZ2 . TRP A 255 ? 0.3311 0.3293 0.3654 0.0204 0.0085 0.0377 478 TRP A CZ2 1958 C CZ3 . TRP A 255 ? 0.3458 0.3478 0.3664 0.0277 0.0122 0.0453 478 TRP A CZ3 1959 C CH2 . TRP A 255 ? 0.3341 0.3328 0.3527 0.0241 0.0104 0.0381 478 TRP A CH2 1960 N N . LEU A 256 ? 0.3054 0.3117 0.4050 0.0257 0.0107 0.0665 479 LEU A N 1961 C CA . LEU A 256 ? 0.4131 0.4280 0.5252 0.0284 0.0136 0.0741 479 LEU A CA 1962 C C . LEU A 256 ? 0.4523 0.4788 0.5491 0.0339 0.0196 0.0806 479 LEU A C 1963 O O . LEU A 256 ? 0.3488 0.3722 0.4217 0.0361 0.0194 0.0740 479 LEU A O 1964 C CB . LEU A 256 ? 0.3460 0.3530 0.4567 0.0283 0.0092 0.0644 479 LEU A CB 1965 C CG . LEU A 256 ? 0.4067 0.4042 0.5290 0.0244 0.0024 0.0550 479 LEU A CG 1966 C CD1 . LEU A 256 ? 0.4256 0.4117 0.5235 0.0223 -0.0010 0.0434 479 LEU A CD1 1967 C CD2 . LEU A 256 ? 0.4247 0.4223 0.5605 0.0259 -0.0010 0.0518 479 LEU A CD2 1968 N N . HIS A 257 ? 0.3361 0.3774 0.4483 0.0362 0.0248 0.0932 480 HIS A N 1969 C CA . HIS A 257 ? 0.2998 0.3566 0.3991 0.0426 0.0309 0.0985 480 HIS A CA 1970 C C . HIS A 257 ? 0.4309 0.5003 0.5487 0.0440 0.0349 0.1055 480 HIS A C 1971 O O . HIS A 257 ? 0.3661 0.4381 0.5113 0.0400 0.0358 0.1146 480 HIS A O 1972 C CB . HIS A 257 ? 0.3053 0.3746 0.4007 0.0450 0.0355 0.1104 480 HIS A CB 1973 C CG . HIS A 257 ? 0.3503 0.4402 0.4334 0.0526 0.0422 0.1162 480 HIS A CG 1974 N ND1 . HIS A 257 ? 0.3420 0.4525 0.4381 0.0545 0.0497 0.1340 480 HIS A ND1 1975 C CD2 . HIS A 257 ? 0.3753 0.4700 0.4354 0.0591 0.0422 0.1061 480 HIS A CD2 1976 C CE1 . HIS A 257 ? 0.4198 0.5490 0.4992 0.0625 0.0546 0.1340 480 HIS A CE1 1977 N NE2 . HIS A 257 ? 0.3887 0.5084 0.4471 0.0657 0.0496 0.1161 480 HIS A NE2 1978 N N . ASN A 258 ? 0.4384 0.5155 0.5435 0.0497 0.0368 0.1002 481 ASN A N 1979 C CA . ASN A 258 ? 0.4158 0.5065 0.5382 0.0515 0.0406 0.1045 481 ASN A CA 1980 C C . ASN A 258 ? 0.5146 0.5929 0.6594 0.0463 0.0350 0.1001 481 ASN A C 1981 O O . ASN A 258 ? 0.5427 0.6310 0.7151 0.0442 0.0381 0.1088 481 ASN A O 1982 C CB . ASN A 258 ? 0.4389 0.5529 0.5763 0.0522 0.0502 0.1238 481 ASN A CB 1983 C CG . ASN A 258 ? 0.6222 0.7572 0.7696 0.0562 0.0566 0.1275 481 ASN A CG 1984 O OD1 . ASN A 258 ? 0.6169 0.7530 0.7513 0.0617 0.0546 0.1146 481 ASN A OD1 1985 N ND2 . ASN A 258 ? 0.6599 0.8120 0.8320 0.0535 0.0643 0.1454 481 ASN A ND2 1986 N N . GLU A 259 ? 0.4616 0.5194 0.5951 0.0443 0.0266 0.0865 482 GLU A N 1987 C CA . GLU A 259 ? 0.5877 0.6340 0.7376 0.0410 0.0197 0.0791 482 GLU A CA 1988 C C . GLU A 259 ? 0.6062 0.6502 0.7836 0.0351 0.0180 0.0848 482 GLU A C 1989 O O . GLU A 259 ? 0.6248 0.6614 0.8189 0.0329 0.0116 0.0777 482 GLU A O 1990 C CB . GLU A 259 ? 0.6941 0.7496 0.8573 0.0444 0.0201 0.0772 482 GLU A CB 1991 C CG . GLU A 259 ? 0.8462 0.9096 0.9890 0.0515 0.0227 0.0731 482 GLU A CG 1992 C CD . GLU A 259 ? 0.9468 0.9935 1.0582 0.0533 0.0169 0.0618 482 GLU A CD 1993 O OE1 . GLU A 259 ? 0.9082 0.9363 1.0138 0.0498 0.0096 0.0542 482 GLU A OE1 1994 O OE2 . GLU A 259 ? 0.9812 1.0346 1.0746 0.0584 0.0197 0.0604 482 GLU A OE2 1995 N N . VAL A 260 ? 0.4613 0.5116 0.6445 0.0331 0.0227 0.0970 483 VAL A N 1996 C CA . VAL A 260 ? 0.4271 0.4741 0.6392 0.0278 0.0199 0.1022 483 VAL A CA 1997 C C . VAL A 260 ? 0.4579 0.4939 0.6582 0.0256 0.0161 0.0980 483 VAL A C 1998 O O . VAL A 260 ? 0.4330 0.4705 0.6095 0.0277 0.0194 0.1001 483 VAL A O 1999 C CB . VAL A 260 ? 0.6003 0.6634 0.8392 0.0263 0.0271 0.1223 483 VAL A CB 2000 C CG1 . VAL A 260 ? 0.6524 0.7217 0.8773 0.0275 0.0324 0.1344 483 VAL A CG1 2001 C CG2 . VAL A 260 ? 0.6158 0.6746 0.8948 0.0210 0.0220 0.1249 483 VAL A CG2 2002 N N . GLN A 261 ? 0.4654 0.4919 0.6837 0.0221 0.0088 0.0905 484 GLN A N 2003 C CA . GLN A 261 ? 0.4662 0.4844 0.6776 0.0200 0.0050 0.0850 484 GLN A CA 2004 C C . GLN A 261 ? 0.4648 0.4894 0.6922 0.0189 0.0080 0.1005 484 GLN A C 2005 O O . GLN A 261 ? 0.4092 0.4386 0.6696 0.0168 0.0080 0.1114 484 GLN A O 2006 C CB . GLN A 261 ? 0.5626 0.5716 0.7893 0.0177 -0.0042 0.0705 484 GLN A CB 2007 C CG . GLN A 261 ? 0.5271 0.5302 0.7501 0.0158 -0.0083 0.0631 484 GLN A CG 2008 C CD . GLN A 261 ? 0.5177 0.5148 0.7488 0.0148 -0.0170 0.0457 484 GLN A CD 2009 O OE1 . GLN A 261 ? 0.6290 0.6225 0.8437 0.0160 -0.0191 0.0353 484 GLN A OE1 2010 N NE2 . GLN A 261 ? 0.4682 0.4650 0.7246 0.0133 -0.0226 0.0419 484 GLN A NE2 2011 N N . LEU A 262 ? 0.3613 0.3859 0.5662 0.0203 0.0103 0.1021 485 LEU A N 2012 C CA . LEU A 262 ? 0.3719 0.4021 0.5877 0.0202 0.0122 0.1167 485 LEU A CA 2013 C C . LEU A 262 ? 0.4389 0.4611 0.6823 0.0168 0.0043 0.1132 485 LEU A C 2014 O O . LEU A 262 ? 0.4107 0.4239 0.6534 0.0152 -0.0022 0.0959 485 LEU A O 2015 C CB . LEU A 262 ? 0.4279 0.4606 0.6117 0.0237 0.0153 0.1163 485 LEU A CB 2016 C CG . LEU A 262 ? 0.4497 0.4926 0.6088 0.0285 0.0224 0.1198 485 LEU A CG 2017 C CD1 . LEU A 262 ? 0.4334 0.4796 0.5649 0.0325 0.0240 0.1182 485 LEU A CD1 2018 C CD2 . LEU A 262 ? 0.4927 0.5510 0.6690 0.0298 0.0289 0.1385 485 LEU A CD2 2019 N N . PRO A 263 ? 0.4525 0.4790 0.7209 0.0159 0.0045 0.1299 486 PRO A N 2020 C CA . PRO A 263 ? 0.3936 0.4124 0.6915 0.0134 -0.0042 0.1270 486 PRO A CA 2021 C C . PRO A 263 ? 0.4657 0.4783 0.7444 0.0144 -0.0087 0.1121 486 PRO A C 2022 O O . PRO A 263 ? 0.4641 0.4799 0.7124 0.0170 -0.0042 0.1133 486 PRO A O 2023 C CB . PRO A 263 ? 0.4437 0.4691 0.7621 0.0132 -0.0014 0.1517 486 PRO A CB 2024 C CG . PRO A 263 ? 0.5315 0.5696 0.8425 0.0142 0.0088 0.1669 486 PRO A CG 2025 C CD . PRO A 263 ? 0.4452 0.4850 0.7168 0.0174 0.0128 0.1529 486 PRO A CD 2026 N N . ASP A 264 ? 0.4666 0.4719 0.7640 0.0126 -0.0176 0.0969 487 ASP A N 2027 C CA . ASP A 264 ? 0.5733 0.5747 0.8556 0.0132 -0.0217 0.0809 487 ASP A CA 2028 C C . ASP A 264 ? 0.5914 0.5954 0.8654 0.0154 -0.0203 0.0912 487 ASP A C 2029 O O . ASP A 264 ? 0.5393 0.5432 0.7895 0.0164 -0.0199 0.0811 487 ASP A O 2030 C CB . ASP A 264 ? 0.6402 0.6372 0.9524 0.0119 -0.0321 0.0654 487 ASP A CB 2031 C CG . ASP A 264 ? 0.7867 0.7826 1.1100 0.0109 -0.0350 0.0545 487 ASP A CG 2032 O OD1 . ASP A 264 ? 0.9157 0.9099 1.2743 0.0105 -0.0438 0.0471 487 ASP A OD1 2033 O OD2 . ASP A 264 ? 0.7291 0.7259 1.0270 0.0110 -0.0295 0.0526 487 ASP A OD2 2034 N N . ALA A 265 ? 0.5163 0.5233 0.8106 0.0161 -0.0197 0.1120 488 ALA A N 2035 C CA . ALA A 265 ? 0.4852 0.4947 0.7754 0.0191 -0.0201 0.1234 488 ALA A CA 2036 C C . ALA A 265 ? 0.4030 0.4208 0.6544 0.0229 -0.0117 0.1298 488 ALA A C 2037 O O . ALA A 265 ? 0.5047 0.5254 0.7461 0.0264 -0.0128 0.1344 488 ALA A O 2038 C CB . ALA A 265 ? 0.5974 0.6076 0.9224 0.0185 -0.0225 0.1458 488 ALA A CB 2039 N N . ARG A 266 ? 0.3572 0.3793 0.5881 0.0230 -0.0045 0.1288 489 ARG A N 2040 C CA . ARG A 266 ? 0.3928 0.4237 0.5894 0.0274 0.0026 0.1327 489 ARG A CA 2041 C C . ARG A 266 ? 0.4355 0.4626 0.6061 0.0284 0.0006 0.1142 489 ARG A C 2042 O O . ARG A 266 ? 0.3678 0.4016 0.5153 0.0329 0.0033 0.1159 489 ARG A O 2043 C CB . ARG A 266 ? 0.3902 0.4266 0.5752 0.0277 0.0096 0.1346 489 ARG A CB 2044 C CG . ARG A 266 ? 0.4706 0.5171 0.6743 0.0280 0.0149 0.1563 489 ARG A CG 2045 C CD . ARG A 266 ? 0.5074 0.5683 0.6992 0.0333 0.0201 0.1752 489 ARG A CD 2046 N NE . ARG A 266 ? 0.4657 0.5346 0.6205 0.0391 0.0243 0.1676 489 ARG A NE 2047 C CZ . ARG A 266 ? 0.5197 0.5998 0.6589 0.0423 0.0313 0.1689 489 ARG A CZ 2048 N NH1 . ARG A 266 ? 0.4472 0.5329 0.6036 0.0399 0.0358 0.1780 489 ARG A NH1 2049 N NH2 . ARG A 266 ? 0.4900 0.5764 0.5983 0.0480 0.0331 0.1598 489 ARG A NH2 2050 N N . HIS A 267 ? 0.3523 0.3702 0.5272 0.0244 -0.0040 0.0961 490 HIS A N 2051 C CA . HIS A 267 ? 0.4068 0.4219 0.5582 0.0238 -0.0045 0.0789 490 HIS A CA 2052 C C . HIS A 267 ? 0.4158 0.4266 0.5814 0.0215 -0.0114 0.0660 490 HIS A C 2053 O O . HIS A 267 ? 0.4128 0.4214 0.6075 0.0207 -0.0170 0.0682 490 HIS A O 2054 C CB . HIS A 267 ? 0.3537 0.3644 0.4880 0.0211 -0.0016 0.0678 490 HIS A CB 2055 C CG . HIS A 267 ? 0.4303 0.4345 0.5802 0.0168 -0.0059 0.0567 490 HIS A CG 2056 N ND1 . HIS A 267 ? 0.4341 0.4374 0.6036 0.0160 -0.0069 0.0617 490 HIS A ND1 2057 C CD2 . HIS A 267 ? 0.5004 0.5010 0.6497 0.0136 -0.0095 0.0401 490 HIS A CD2 2058 C CE1 . HIS A 267 ? 0.5099 0.5088 0.6895 0.0132 -0.0118 0.0478 490 HIS A CE1 2059 N NE2 . HIS A 267 ? 0.6000 0.5980 0.7667 0.0118 -0.0131 0.0348 490 HIS A NE2 2060 N N . SER A 268 ? 0.3804 0.3526 0.5167 -0.0068 -0.0044 0.0492 491 SER A N 2061 C CA . SER A 268 ? 0.3857 0.3388 0.5081 0.0069 -0.0155 0.0361 491 SER A CA 2062 C C . SER A 268 ? 0.4044 0.3832 0.5333 0.0135 -0.0135 0.0234 491 SER A C 2063 O O . SER A 268 ? 0.3803 0.3821 0.5135 0.0125 -0.0041 0.0251 491 SER A O 2064 C CB . SER A 268 ? 0.4404 0.3807 0.5404 0.0231 -0.0159 0.0346 491 SER A CB 2065 O OG . SER A 268 ? 0.4218 0.3932 0.5259 0.0299 -0.0043 0.0333 491 SER A OG 2066 N N . THR A 269 ? 0.3160 0.2870 0.4402 0.0206 -0.0237 0.0107 492 THR A N 2067 C CA . THR A 269 ? 0.3235 0.3145 0.4464 0.0247 -0.0209 -0.0009 492 THR A CA 2068 C C . THR A 269 ? 0.3429 0.3377 0.4523 0.0386 -0.0276 -0.0150 492 THR A C 2069 O O . THR A 269 ? 0.3857 0.3604 0.4885 0.0479 -0.0415 -0.0196 492 THR A O 2070 C CB . THR A 269 ? 0.3449 0.3330 0.4776 0.0197 -0.0259 -0.0048 492 THR A CB 2071 O OG1 . THR A 269 ? 0.4026 0.3962 0.5493 0.0089 -0.0217 0.0046 492 THR A OG1 2072 C CG2 . THR A 269 ? 0.3296 0.3298 0.4510 0.0224 -0.0215 -0.0143 492 THR A CG2 2073 N N . THR A 270 ? 0.3287 0.3500 0.4308 0.0398 -0.0191 -0.0230 493 THR A N 2074 C CA . THR A 270 ? 0.3297 0.3711 0.4213 0.0519 -0.0237 -0.0399 493 THR A CA 2075 C C . THR A 270 ? 0.4439 0.4838 0.5341 0.0558 -0.0327 -0.0495 493 THR A C 2076 O O . THR A 270 ? 0.3746 0.4013 0.4702 0.0473 -0.0318 -0.0445 493 THR A O 2077 C CB . THR A 270 ? 0.2758 0.3526 0.3608 0.0450 -0.0104 -0.0468 493 THR A CB 2078 O OG1 . THR A 270 ? 0.3495 0.4257 0.4290 0.0288 -0.0023 -0.0439 493 THR A OG1 2079 C CG2 . THR A 270 ? 0.2461 0.3246 0.3326 0.0444 -0.0031 -0.0386 493 THR A CG2 2080 N N . GLN A 271 ? 0.3842 0.4398 0.4654 0.0725 -0.0428 -0.0654 494 GLN A N 2081 C CA . GLN A 271 ? 0.3984 0.4602 0.4763 0.0797 -0.0511 -0.0765 494 GLN A CA 2082 C C . GLN A 271 ? 0.3756 0.4652 0.4482 0.0642 -0.0354 -0.0800 494 GLN A C 2083 O O . GLN A 271 ? 0.3997 0.5183 0.4668 0.0534 -0.0220 -0.0826 494 GLN A O 2084 C CB . GLN A 271 ? 0.5574 0.6372 0.6229 0.1054 -0.0670 -0.0954 494 GLN A CB 2085 C CG . GLN A 271 ? 0.8907 0.9308 0.9459 0.1226 -0.0859 -0.0934 494 GLN A CG 2086 C CD . GLN A 271 ? 1.1840 1.2417 1.2173 0.1546 -0.1047 -0.1160 494 GLN A CD 2087 O OE1 . GLN A 271 ? 1.2875 1.3709 1.3164 0.1688 -0.1136 -0.1315 494 GLN A OE1 2088 N NE2 . GLN A 271 ? 1.2440 1.2883 1.2597 0.1694 -0.1122 -0.1194 494 GLN A NE2 2089 N N . PRO A 272 ? 0.4074 0.4839 0.4773 0.0621 -0.0375 -0.0804 495 PRO A N 2090 C CA . PRO A 272 ? 0.3109 0.4014 0.3640 0.0464 -0.0235 -0.0828 495 PRO A CA 2091 C C . PRO A 272 ? 0.4178 0.5600 0.4600 0.0445 -0.0167 -0.0979 495 PRO A C 2092 O O . PRO A 272 ? 0.4528 0.6209 0.4983 0.0647 -0.0281 -0.1120 495 PRO A O 2093 C CB . PRO A 272 ? 0.4149 0.4813 0.4646 0.0543 -0.0322 -0.0849 495 PRO A CB 2094 C CG . PRO A 272 ? 0.4293 0.4637 0.4995 0.0638 -0.0461 -0.0778 495 PRO A CG 2095 C CD . PRO A 272 ? 0.4561 0.4986 0.5347 0.0721 -0.0528 -0.0781 495 PRO A CD 2096 N N . ARG A 273 ? 0.3389 0.4977 0.3662 0.0203 0.0006 -0.0964 496 ARG A N 2097 C CA . ARG A 273 ? 0.4106 0.6270 0.4280 0.0105 0.0103 -0.1116 496 ARG A CA 2098 C C . ARG A 273 ? 0.4121 0.6210 0.3985 -0.0205 0.0264 -0.1074 496 ARG A C 2099 O O . ARG A 273 ? 0.3687 0.5261 0.3388 -0.0327 0.0295 -0.0930 496 ARG A O 2100 C CB . ARG A 273 ? 0.3562 0.6074 0.3845 0.0089 0.0146 -0.1172 496 ARG A CB 2101 C CG . ARG A 273 ? 0.4918 0.7483 0.5376 0.0420 -0.0028 -0.1249 496 ARG A CG 2102 C CD . ARG A 273 ? 0.5797 0.8815 0.6308 0.0471 -0.0002 -0.1381 496 ARG A CD 2103 N NE . ARG A 273 ? 0.7280 1.0257 0.7828 0.0830 -0.0201 -0.1479 496 ARG A NE 2104 C CZ . ARG A 273 ? 0.8441 1.0933 0.9019 0.0945 -0.0285 -0.1351 496 ARG A CZ 2105 N NH1 . ARG A 273 ? 0.6776 0.8890 0.7416 0.0751 -0.0182 -0.1131 496 ARG A NH1 2106 N NH2 . ARG A 273 ? 0.9628 1.1995 1.0121 0.1261 -0.0483 -0.1449 496 ARG A NH2 2107 N N . LYS A 274 ? 0.3781 0.6370 0.3511 -0.0329 0.0354 -0.1209 497 LYS A N 2108 C CA . LYS A 274 ? 0.4410 0.6862 0.3747 -0.0665 0.0510 -0.1163 497 LYS A CA 2109 C C . LYS A 274 ? 0.4838 0.7144 0.3992 -0.0991 0.0635 -0.1075 497 LYS A C 2110 O O . LYS A 274 ? 0.5143 0.7863 0.4493 -0.1027 0.0667 -0.1141 497 LYS A O 2111 C CB . LYS A 274 ? 0.4779 0.7907 0.4015 -0.0766 0.0599 -0.1334 497 LYS A CB 2112 C CG . LYS A 274 ? 0.4731 0.7871 0.3976 -0.0495 0.0489 -0.1400 497 LYS A CG 2113 C CD . LYS A 274 ? 0.6871 1.0750 0.5979 -0.0618 0.0599 -0.1569 497 LYS A CD 2114 C CE . LYS A 274 ? 0.7636 1.2424 0.6973 -0.0643 0.0642 -0.1766 497 LYS A CE 2115 N NZ . LYS A 274 ? 0.8802 1.4448 0.8008 -0.0816 0.0776 -0.1950 497 LYS A NZ 2116 N N . THR A 275 ? 0.4858 0.6533 0.3593 -0.1197 0.0682 -0.0941 498 THR A N 2117 C CA . THR A 275 ? 0.4512 0.5988 0.2910 -0.1559 0.0793 -0.0872 498 THR A CA 2118 C C . THR A 275 ? 0.5089 0.7116 0.3281 -0.1914 0.0960 -0.0988 498 THR A C 2119 O O . THR A 275 ? 0.5067 0.7640 0.3411 -0.1816 0.0977 -0.1120 498 THR A O 2120 C CB . THR A 275 ? 0.5606 0.6174 0.3479 -0.1641 0.0757 -0.0722 498 THR A CB 2121 O OG1 . THR A 275 ? 0.6039 0.6402 0.3543 -0.1701 0.0790 -0.0740 498 THR A OG1 2122 C CG2 . THR A 275 ? 0.4445 0.4605 0.2555 -0.1280 0.0594 -0.0640 498 THR A CG2 2123 N N . LYS A 276 ? 0.5555 0.7457 0.3379 -0.2333 0.1076 -0.0947 499 LYS A N 2124 C CA . LYS A 276 ? 0.6964 0.9472 0.4602 -0.2753 0.1258 -0.1064 499 LYS A CA 2125 C C . LYS A 276 ? 0.8734 1.0846 0.5789 -0.2988 0.1340 -0.1006 499 LYS A C 2126 O O . LYS A 276 ? 1.0191 1.2784 0.7023 -0.3369 0.1509 -0.1089 499 LYS A O 2127 C CB . LYS A 276 ? 0.7986 1.0542 0.5462 -0.3154 0.1346 -0.1056 499 LYS A CB 2128 C CG . LYS A 276 ? 0.8616 1.1816 0.6683 -0.2947 0.1301 -0.1179 499 LYS A CG 2129 C CD . LYS A 276 ? 0.8840 1.3210 0.7313 -0.2888 0.1370 -0.1443 499 LYS A CD 2130 C CE . LYS A 276 ? 0.8233 1.3190 0.7225 -0.2613 0.1298 -0.1595 499 LYS A CE 2131 N NZ . LYS A 276 ? 0.7649 1.2480 0.7006 -0.2033 0.1114 -0.1590 499 LYS A NZ 2132 N N . GLY A 277 ? 0.8200 0.9459 0.4996 -0.2755 0.1221 -0.0877 500 GLY A N 2133 C CA . GLY A 277 ? 1.0142 1.0903 0.6342 -0.2887 0.1269 -0.0825 500 GLY A CA 2134 C C . GLY A 277 ? 1.0109 1.0677 0.6526 -0.2392 0.1122 -0.0836 500 GLY A C 2135 O O . GLY A 277 ? 0.9462 1.0720 0.6399 -0.2118 0.1087 -0.0960 500 GLY A O 2136 N N . SER A 278 ? 1.0416 1.0032 0.6403 -0.2257 0.1013 -0.0727 501 SER A N 2137 C CA . SER A 278 ? 1.0678 1.0064 0.6844 -0.1803 0.0864 -0.0752 501 SER A CA 2138 C C . SER A 278 ? 0.9263 0.8640 0.6005 -0.1421 0.0693 -0.0741 501 SER A C 2139 O O . SER A 278 ? 0.8112 0.7148 0.4798 -0.1454 0.0647 -0.0661 501 SER A O 2140 C CB . SER A 278 ? 1.2110 1.0524 0.7496 -0.1810 0.0823 -0.0684 501 SER A CB 2141 O OG . SER A 278 ? 1.3576 1.1926 0.8349 -0.2198 0.0993 -0.0675 501 SER A OG 2142 N N . GLY A 279 ? 0.7518 0.7271 0.4785 -0.1071 0.0593 -0.0821 502 GLY A N 2143 C CA . GLY A 279 ? 0.6825 0.6475 0.4555 -0.0736 0.0428 -0.0804 502 GLY A CA 2144 C C . GLY A 279 ? 0.6406 0.6584 0.4694 -0.0684 0.0414 -0.0816 502 GLY A C 2145 O O . GLY A 279 ? 0.5191 0.5929 0.3588 -0.0852 0.0515 -0.0875 502 GLY A O 2146 N N . PHE A 280 ? 0.4667 0.4673 0.3285 -0.0449 0.0284 -0.0773 503 PHE A N 2147 C CA . PHE A 280 ? 0.4044 0.4442 0.3153 -0.0343 0.0243 -0.0778 503 PHE A CA 2148 C C . PHE A 280 ? 0.4205 0.4335 0.3346 -0.0377 0.0234 -0.0665 503 PHE A C 2149 O O . PHE A 280 ? 0.4041 0.3686 0.2862 -0.0414 0.0218 -0.0602 503 PHE A O 2150 C CB . PHE A 280 ? 0.3950 0.4415 0.3431 -0.0033 0.0085 -0.0829 503 PHE A CB 2151 C CG . PHE A 280 ? 0.3909 0.4722 0.3406 0.0072 0.0057 -0.0960 503 PHE A CG 2152 C CD1 . PHE A 280 ? 0.4289 0.4884 0.3541 0.0126 0.0038 -0.0996 503 PHE A CD1 2153 C CD2 . PHE A 280 ? 0.3502 0.4871 0.3221 0.0153 0.0036 -0.1066 503 PHE A CD2 2154 C CE1 . PHE A 280 ? 0.5048 0.6004 0.4309 0.0250 0.0006 -0.1119 503 PHE A CE1 2155 C CE2 . PHE A 280 ? 0.4381 0.6131 0.4093 0.0295 -0.0013 -0.1210 503 PHE A CE2 2156 C CZ . PHE A 280 ? 0.5371 0.6932 0.4868 0.0336 -0.0023 -0.1229 503 PHE A CZ 2157 N N . PHE A 281 ? 0.3995 0.4432 0.3478 -0.0332 0.0229 -0.0654 504 PHE A N 2158 C CA . PHE A 281 ? 0.3728 0.3970 0.3297 -0.0317 0.0210 -0.0545 504 PHE A CA 2159 C C . PHE A 281 ? 0.3376 0.3824 0.3382 -0.0132 0.0136 -0.0533 504 PHE A C 2160 O O . PHE A 281 ? 0.3404 0.4170 0.3584 -0.0043 0.0107 -0.0623 504 PHE A O 2161 C CB . PHE A 281 ? 0.4145 0.4441 0.3496 -0.0545 0.0316 -0.0515 504 PHE A CB 2162 C CG . PHE A 281 ? 0.3647 0.4489 0.3247 -0.0574 0.0373 -0.0592 504 PHE A CG 2163 C CD1 . PHE A 281 ? 0.3712 0.4663 0.3582 -0.0457 0.0346 -0.0551 504 PHE A CD1 2164 C CD2 . PHE A 281 ? 0.3943 0.5221 0.3481 -0.0703 0.0452 -0.0725 504 PHE A CD2 2165 C CE1 . PHE A 281 ? 0.3053 0.4479 0.3104 -0.0433 0.0378 -0.0654 504 PHE A CE1 2166 C CE2 . PHE A 281 ? 0.3896 0.5749 0.3654 -0.0688 0.0485 -0.0846 504 PHE A CE2 2167 C CZ . PHE A 281 ? 0.3532 0.5431 0.3534 -0.0536 0.0440 -0.0817 504 PHE A CZ 2168 N N . VAL A 282 ? 0.2772 0.3022 0.2900 -0.0068 0.0094 -0.0431 505 VAL A N 2169 C CA . VAL A 282 ? 0.2202 0.2573 0.2649 0.0044 0.0049 -0.0387 505 VAL A CA 2170 C C . VAL A 282 ? 0.2816 0.3115 0.3251 0.0003 0.0094 -0.0276 505 VAL A C 2171 O O . VAL A 282 ? 0.3148 0.3244 0.3351 -0.0057 0.0110 -0.0240 505 VAL A O 2172 C CB . VAL A 282 ? 0.2506 0.2728 0.3165 0.0170 -0.0068 -0.0371 505 VAL A CB 2173 C CG1 . VAL A 282 ? 0.3013 0.3279 0.3677 0.0259 -0.0149 -0.0487 505 VAL A CG1 2174 C CG2 . VAL A 282 ? 0.3173 0.3171 0.3788 0.0162 -0.0090 -0.0321 505 VAL A CG2 2175 N N . PHE A 283 ? 0.2463 0.2893 0.3092 0.0065 0.0097 -0.0232 506 PHE A N 2176 C CA . PHE A 283 ? 0.2869 0.3264 0.3530 0.0070 0.0129 -0.0120 506 PHE A CA 2177 C C . PHE A 283 ? 0.2749 0.3085 0.3644 0.0148 0.0075 -0.0037 506 PHE A C 2178 O O . PHE A 283 ? 0.2473 0.2803 0.3474 0.0204 0.0022 -0.0065 506 PHE A O 2179 C CB . PHE A 283 ? 0.2723 0.3321 0.3389 0.0078 0.0186 -0.0139 506 PHE A CB 2180 C CG . PHE A 283 ? 0.2811 0.3482 0.3244 -0.0061 0.0254 -0.0191 506 PHE A CG 2181 C CD1 . PHE A 283 ? 0.3331 0.3819 0.3574 -0.0113 0.0264 -0.0111 506 PHE A CD1 2182 C CD2 . PHE A 283 ? 0.2740 0.3685 0.3121 -0.0141 0.0297 -0.0331 506 PHE A CD2 2183 C CE1 . PHE A 283 ? 0.3138 0.3605 0.3102 -0.0278 0.0308 -0.0153 506 PHE A CE1 2184 C CE2 . PHE A 283 ? 0.2594 0.3624 0.2749 -0.0338 0.0370 -0.0379 506 PHE A CE2 2185 C CZ . PHE A 283 ? 0.3216 0.3954 0.3144 -0.0423 0.0373 -0.0281 506 PHE A CZ 2186 N N . SER A 284 ? 0.2587 0.2883 0.3525 0.0145 0.0079 0.0054 507 SER A N 2187 C CA . SER A 284 ? 0.3173 0.3477 0.4324 0.0152 0.0057 0.0144 507 SER A CA 2188 C C . SER A 284 ? 0.3105 0.3513 0.4272 0.0175 0.0121 0.0256 507 SER A C 2189 O O . SER A 284 ? 0.2515 0.2975 0.3548 0.0205 0.0146 0.0263 507 SER A O 2190 C CB . SER A 284 ? 0.2850 0.3144 0.4096 0.0125 0.0002 0.0125 507 SER A CB 2191 O OG . SER A 284 ? 0.2773 0.3099 0.4229 0.0060 -0.0013 0.0203 507 SER A OG 2192 N N . ARG A 285 ? 0.3131 0.3519 0.4408 0.0168 0.0134 0.0346 508 ARG A N 2193 C CA . ARG A 285 ? 0.2052 0.2528 0.3319 0.0214 0.0201 0.0452 508 ARG A CA 2194 C C . ARG A 285 ? 0.2669 0.3203 0.4071 0.0129 0.0225 0.0577 508 ARG A C 2195 O O . ARG A 285 ? 0.2963 0.3332 0.4413 0.0031 0.0191 0.0604 508 ARG A O 2196 C CB . ARG A 285 ? 0.2667 0.3044 0.3840 0.0301 0.0208 0.0430 508 ARG A CB 2197 C CG . ARG A 285 ? 0.3485 0.3906 0.4620 0.0386 0.0270 0.0529 508 ARG A CG 2198 C CD . ARG A 285 ? 0.3610 0.3927 0.4618 0.0521 0.0253 0.0455 508 ARG A CD 2199 N NE . ARG A 285 ? 0.3560 0.3873 0.4508 0.0629 0.0307 0.0549 508 ARG A NE 2200 C CZ . ARG A 285 ? 0.3918 0.4028 0.4799 0.0626 0.0322 0.0679 508 ARG A CZ 2201 N NH1 . ARG A 285 ? 0.3972 0.3848 0.4833 0.0492 0.0278 0.0727 508 ARG A NH1 2202 N NH2 . ARG A 285 ? 0.4039 0.4151 0.4838 0.0742 0.0378 0.0764 508 ARG A NH2 2203 N N . LEU A 286 ? 0.2826 0.3728 0.3601 0.0409 0.0247 0.0735 509 LEU A N 2204 C CA . LEU A 286 ? 0.2969 0.3924 0.3921 0.0456 0.0251 0.0935 509 LEU A CA 2205 C C . LEU A 286 ? 0.3763 0.4922 0.4641 0.0535 0.0313 0.1048 509 LEU A C 2206 O O . LEU A 286 ? 0.3076 0.4267 0.3731 0.0547 0.0362 0.0995 509 LEU A O 2207 C CB . LEU A 286 ? 0.2248 0.3089 0.3192 0.0421 0.0247 0.0948 509 LEU A CB 2208 C CG . LEU A 286 ? 0.2730 0.3677 0.3845 0.0463 0.0260 0.1156 509 LEU A CG 2209 C CD1 . LEU A 286 ? 0.3055 0.3967 0.4479 0.0439 0.0196 0.1264 509 LEU A CD1 2210 C CD2 . LEU A 286 ? 0.2832 0.3731 0.3869 0.0456 0.0274 0.1157 509 LEU A CD2 2211 N N . GLU A 287 ? 0.3056 0.4343 0.4115 0.0591 0.0307 0.1203 510 GLU A N 2212 C CA . GLU A 287 ? 0.2626 0.4136 0.3640 0.0676 0.0364 0.1336 510 GLU A CA 2213 C C . GLU A 287 ? 0.3088 0.4652 0.4181 0.0694 0.0391 0.1496 510 GLU A C 2214 O O . GLU A 287 ? 0.3855 0.5354 0.5173 0.0658 0.0353 0.1605 510 GLU A O 2215 C CB . GLU A 287 ? 0.2839 0.4465 0.4016 0.0734 0.0346 0.1458 510 GLU A CB 2216 C CG . GLU A 287 ? 0.3844 0.5433 0.4988 0.0728 0.0307 0.1306 510 GLU A CG 2217 C CD . GLU A 287 ? 0.4495 0.6140 0.5831 0.0794 0.0268 0.1431 510 GLU A CD 2218 O OE1 . GLU A 287 ? 0.4373 0.6126 0.5825 0.0848 0.0286 0.1644 510 GLU A OE1 2219 O OE2 . GLU A 287 ? 0.4785 0.6366 0.6150 0.0795 0.0219 0.1318 510 GLU A OE2 2220 N N . VAL A 288 ? 0.3641 0.5332 0.4550 0.0750 0.0451 0.1504 511 VAL A N 2221 C CA . VAL A 288 ? 0.3167 0.4964 0.4135 0.0786 0.0482 0.1651 511 VAL A CA 2222 C C . VAL A 288 ? 0.3320 0.5404 0.4244 0.0894 0.0544 0.1792 511 VAL A C 2223 O O . VAL A 288 ? 0.3515 0.5697 0.4305 0.0943 0.0565 0.1739 511 VAL A O 2224 C CB . VAL A 288 ? 0.3498 0.5172 0.4274 0.0774 0.0493 0.1525 511 VAL A CB 2225 C CG1 . VAL A 288 ? 0.4072 0.5487 0.4899 0.0672 0.0433 0.1405 511 VAL A CG1 2226 C CG2 . VAL A 288 ? 0.3069 0.4741 0.3529 0.0814 0.0530 0.1371 511 VAL A CG2 2227 N N . THR A 289 ? 0.3398 0.5642 0.4437 0.0931 0.0572 0.1968 512 THR A N 2228 C CA . THR A 289 ? 0.4353 0.6908 0.5384 0.1036 0.0632 0.2134 512 THR A CA 2229 C C . THR A 289 ? 0.4534 0.7220 0.5386 0.1119 0.0683 0.2115 512 THR A C 2230 O O . THR A 289 ? 0.3989 0.6553 0.4815 0.1091 0.0670 0.2051 512 THR A O 2231 C CB . THR A 289 ? 0.3949 0.6644 0.5286 0.1016 0.0628 0.2398 512 THR A CB 2232 O OG1 . THR A 289 ? 0.3625 0.6305 0.5086 0.0969 0.0621 0.2459 512 THR A OG1 2233 C CG2 . THR A 289 ? 0.4617 0.7137 0.6141 0.0941 0.0565 0.2421 512 THR A CG2 2234 N N . ARG A 290 ? 0.4330 0.7277 0.5057 0.1234 0.0738 0.2170 513 ARG A N 2235 C CA . ARG A 290 ? 0.3848 0.6951 0.4400 0.1341 0.0785 0.2155 513 ARG A CA 2236 C C . ARG A 290 ? 0.3124 0.6323 0.3855 0.1334 0.0793 0.2299 513 ARG A C 2237 O O . ARG A 290 ? 0.3716 0.6876 0.4316 0.1378 0.0799 0.2214 513 ARG A O 2238 C CB . ARG A 290 ? 0.4444 0.7876 0.4895 0.1473 0.0841 0.2239 513 ARG A CB 2239 C CG . ARG A 290 ? 0.4222 0.7841 0.4484 0.1608 0.0888 0.2217 513 ARG A CG 2240 C CD . ARG A 290 ? 0.5229 0.9171 0.5365 0.1745 0.0937 0.2269 513 ARG A CD 2241 N NE . ARG A 290 ? 0.5564 0.9376 0.5457 0.1754 0.0919 0.2058 513 ARG A NE 2242 C CZ . ARG A 290 ? 0.6023 0.9683 0.5626 0.1796 0.0911 0.1837 513 ARG A CZ 2243 N NH1 . ARG A 290 ? 0.6430 1.0037 0.5939 0.1851 0.0917 0.1797 513 ARG A NH1 2244 N NH2 . ARG A 290 ? 0.5695 0.9252 0.5103 0.1781 0.0891 0.1657 513 ARG A NH2 2245 N N . ALA A 291 ? 0.3885 0.7206 0.4915 0.1277 0.0788 0.2517 514 ALA A N 2246 C CA . ALA A 291 ? 0.4100 0.7558 0.5335 0.1252 0.0795 0.2675 514 ALA A CA 2247 C C . ALA A 291 ? 0.4314 0.7493 0.5550 0.1173 0.0742 0.2530 514 ALA A C 2248 O O . ALA A 291 ? 0.3743 0.7018 0.4990 0.1203 0.0753 0.2551 514 ALA A O 2249 C CB . ALA A 291 ? 0.4023 0.7588 0.5584 0.1168 0.0784 0.2921 514 ALA A CB 2250 N N . GLU A 292 ? 0.4162 0.7015 0.5383 0.1079 0.0684 0.2381 515 GLU A N 2251 C CA . GLU A 292 ? 0.4109 0.6688 0.5311 0.1004 0.0632 0.2233 515 GLU A CA 2252 C C . GLU A 292 ? 0.3231 0.5726 0.4116 0.1088 0.0651 0.2053 515 GLU A C 2253 O O . GLU A 292 ? 0.3522 0.6022 0.4397 0.1111 0.0646 0.2042 515 GLU A O 2254 C CB . GLU A 292 ? 0.3851 0.6133 0.5110 0.0891 0.0568 0.2120 515 GLU A CB 2255 C CG . GLU A 292 ? 0.4058 0.6336 0.5657 0.0795 0.0523 0.2279 515 GLU A CG 2256 C CD . GLU A 292 ? 0.4912 0.6950 0.6562 0.0721 0.0465 0.2185 515 GLU A CD 2257 O OE1 . GLU A 292 ? 0.4851 0.6808 0.6293 0.0752 0.0474 0.2036 515 GLU A OE1 2258 O OE2 . GLU A 292 ? 0.4409 0.6349 0.6310 0.0634 0.0407 0.2258 515 GLU A OE2 2259 N N . TRP A 293 ? 0.3426 0.5843 0.4050 0.1137 0.0669 0.1911 516 TRP A N 2260 C CA . TRP A 293 ? 0.3756 0.6020 0.4067 0.1199 0.0674 0.1729 516 TRP A CA 2261 C C . TRP A 293 ? 0.4197 0.6700 0.4398 0.1351 0.0722 0.1788 516 TRP A C 2262 O O . TRP A 293 ? 0.4505 0.6879 0.4499 0.1412 0.0715 0.1671 516 TRP A O 2263 C CB . TRP A 293 ? 0.4167 0.6241 0.4221 0.1183 0.0669 0.1540 516 TRP A CB 2264 C CG . TRP A 293 ? 0.4437 0.6719 0.4354 0.1282 0.0714 0.1552 516 TRP A CG 2265 C CD1 . TRP A 293 ? 0.5766 0.8192 0.5482 0.1422 0.0753 0.1535 516 TRP A CD1 2266 C CD2 . TRP A 293 ? 0.4580 0.6952 0.4537 0.1260 0.0720 0.1568 516 TRP A CD2 2267 N NE1 . TRP A 293 ? 0.4975 0.7583 0.4607 0.1482 0.0782 0.1540 516 TRP A NE1 2268 C CE2 . TRP A 293 ? 0.4993 0.7578 0.4773 0.1384 0.0764 0.1564 516 TRP A CE2 2269 C CE3 . TRP A 293 ? 0.4062 0.6366 0.4184 0.1159 0.0688 0.1581 516 TRP A CE3 2270 C CZ2 . TRP A 293 ? 0.4958 0.7699 0.4724 0.1405 0.0777 0.1577 516 TRP A CZ2 2271 C CZ3 . TRP A 293 ? 0.4114 0.6567 0.4220 0.1188 0.0702 0.1596 516 TRP A CZ3 2272 C CH2 . TRP A 293 ? 0.4158 0.6833 0.4090 0.1306 0.0747 0.1597 516 TRP A CH2 2273 N N . GLU A 294 ? 0.4438 0.7295 0.4775 0.1419 0.0768 0.1974 517 GLU A N 2274 C CA . GLU A 294 ? 0.4446 0.7592 0.4705 0.1574 0.0817 0.2046 517 GLU A CA 2275 C C . GLU A 294 ? 0.4417 0.7669 0.4868 0.1562 0.0807 0.2151 517 GLU A C 2276 O O . GLU A 294 ? 0.5250 0.8634 0.5585 0.1687 0.0828 0.2137 517 GLU A O 2277 C CB . GLU A 294 ? 0.5015 0.8540 0.5345 0.1653 0.0874 0.2215 517 GLU A CB 2278 C CG . GLU A 294 ? 0.4328 0.7807 0.4425 0.1701 0.0885 0.2094 517 GLU A CG 2279 C CD . GLU A 294 ? 0.5910 0.9798 0.5993 0.1833 0.0947 0.2232 517 GLU A CD 2280 O OE1 . GLU A 294 ? 0.5284 0.9480 0.5611 0.1838 0.0980 0.2467 517 GLU A OE1 2281 O OE2 . GLU A 294 ? 0.6751 1.0658 0.6577 0.1927 0.0960 0.2104 517 GLU A OE2 2282 N N . GLN A 295 ? 0.4407 0.7603 0.5149 0.1416 0.0771 0.2249 518 GLN A N 2283 C CA . GLN A 295 ? 0.4203 0.7471 0.5145 0.1376 0.0749 0.2329 518 GLN A CA 2284 C C . GLN A 295 ? 0.5049 0.8010 0.5802 0.1380 0.0703 0.2128 518 GLN A C 2285 O O . GLN A 295 ? 0.4610 0.7674 0.5315 0.1467 0.0707 0.2122 518 GLN A O 2286 C CB . GLN A 295 ? 0.5810 0.9046 0.7098 0.1207 0.0708 0.2462 518 GLN A CB 2287 C CG . GLN A 295 ? 0.6942 1.0144 0.8421 0.1127 0.0660 0.2480 518 GLN A CG 2288 C CD . GLN A 295 ? 0.8620 1.1558 1.0307 0.0954 0.0588 0.2464 518 GLN A CD 2289 O OE1 . GLN A 295 ? 0.8665 1.1594 1.0505 0.0883 0.0582 0.2561 518 GLN A OE1 2290 N NE2 . GLN A 295 ? 0.9112 1.1832 1.0797 0.0898 0.0529 0.2336 518 GLN A NE2 2291 N N . LYS A 296 ? 0.3786 0.6381 0.4430 0.1291 0.0660 0.1966 519 LYS A N 2292 C CA . LYS A 296 ? 0.3507 0.5790 0.3927 0.1297 0.0622 0.1774 519 LYS A CA 2293 C C . LYS A 296 ? 0.3581 0.5547 0.3810 0.1228 0.0603 0.1606 519 LYS A C 2294 O O . LYS A 296 ? 0.3552 0.5421 0.3937 0.1105 0.0575 0.1611 519 LYS A O 2295 C CB . LYS A 296 ? 0.4108 0.6314 0.4730 0.1204 0.0567 0.1791 519 LYS A CB 2296 C CG . LYS A 296 ? 0.4206 0.6100 0.4593 0.1215 0.0526 0.1606 519 LYS A CG 2297 C CD . LYS A 296 ? 0.5756 0.7672 0.6331 0.1170 0.0478 0.1640 519 LYS A CD 2298 C CE . LYS A 296 ? 0.6415 0.8034 0.6733 0.1201 0.0440 0.1469 519 LYS A CE 2299 N NZ . LYS A 296 ? 0.7355 0.8934 0.7333 0.1366 0.0475 0.1393 519 LYS A NZ 2300 N N . ASP A 297 ? 0.3702 0.5519 0.3596 0.1310 0.0617 0.1458 520 ASP A N 2301 C CA . ASP A 297 ? 0.4407 0.5964 0.4110 0.1239 0.0605 0.1303 520 ASP A CA 2302 C C . ASP A 297 ? 0.4153 0.5354 0.3752 0.1142 0.0554 0.1156 520 ASP A C 2303 O O . ASP A 297 ? 0.4286 0.5249 0.3584 0.1171 0.0547 0.1013 520 ASP A O 2304 C CB . ASP A 297 ? 0.4678 0.6232 0.4069 0.1353 0.0639 0.1210 520 ASP A CB 2305 C CG . ASP A 297 ? 0.5158 0.6512 0.4386 0.1266 0.0630 0.1067 520 ASP A CG 2306 O OD1 . ASP A 297 ? 0.4438 0.5716 0.3819 0.1134 0.0606 0.1061 520 ASP A OD1 2307 O OD2 . ASP A 297 ? 0.4488 0.5767 0.3435 0.1331 0.0643 0.0955 520 ASP A OD2 2308 N N . GLU A 298 ? 0.3730 0.4895 0.3576 0.1029 0.0515 0.1197 521 GLU A N 2309 C CA . GLU A 298 ? 0.3425 0.4289 0.3204 0.0928 0.0466 0.1066 521 GLU A CA 2310 C C . GLU A 298 ? 0.4070 0.4944 0.4141 0.0804 0.0427 0.1109 521 GLU A C 2311 O O . GLU A 298 ? 0.3494 0.4542 0.3848 0.0794 0.0414 0.1246 521 GLU A O 2312 C CB . GLU A 298 ? 0.3500 0.4277 0.3206 0.0980 0.0441 0.1046 521 GLU A CB 2313 C CG . GLU A 298 ? 0.2623 0.3082 0.2212 0.0886 0.0393 0.0906 521 GLU A CG 2314 C CD . GLU A 298 ? 0.3926 0.4322 0.3462 0.0946 0.0363 0.0899 521 GLU A CD 2315 O OE1 . GLU A 298 ? 0.4353 0.4987 0.4104 0.0999 0.0360 0.1019 521 GLU A OE1 2316 O OE2 . GLU A 298 ? 0.4298 0.4416 0.3580 0.0937 0.0343 0.0777 521 GLU A OE2 2317 N N . PHE A 299 ? 0.3428 0.4119 0.3428 0.0710 0.0408 0.0989 522 PHE A N 2318 C CA . PHE A 299 ? 0.3605 0.4277 0.3848 0.0607 0.0364 0.0998 522 PHE A CA 2319 C C . PHE A 299 ? 0.4215 0.4628 0.4332 0.0524 0.0323 0.0839 522 PHE A C 2320 O O . PHE A 299 ? 0.3585 0.3841 0.3424 0.0510 0.0340 0.0713 522 PHE A O 2321 C CB . PHE A 299 ? 0.3082 0.3847 0.3376 0.0589 0.0383 0.1013 522 PHE A CB 2322 C CG . PHE A 299 ? 0.3234 0.4263 0.3624 0.0675 0.0428 0.1174 522 PHE A CG 2323 C CD1 . PHE A 299 ? 0.3640 0.4752 0.3804 0.0768 0.0480 0.1161 522 PHE A CD1 2324 C CD2 . PHE A 299 ? 0.3019 0.4211 0.3717 0.0663 0.0414 0.1339 522 PHE A CD2 2325 C CE1 . PHE A 299 ? 0.3716 0.5103 0.3962 0.0856 0.0524 0.1310 522 PHE A CE1 2326 C CE2 . PHE A 299 ? 0.3730 0.5181 0.4511 0.0739 0.0460 0.1502 522 PHE A CE2 2327 C CZ . PHE A 299 ? 0.4221 0.5787 0.4776 0.0840 0.0517 0.1488 522 PHE A CZ 2328 N N . ILE A 300 ? 0.3079 0.3453 0.3400 0.0465 0.0268 0.0845 523 ILE A N 2329 C CA . ILE A 300 ? 0.2768 0.2929 0.2983 0.0397 0.0227 0.0705 523 ILE A CA 2330 C C . ILE A 300 ? 0.2920 0.3037 0.3262 0.0309 0.0189 0.0634 523 ILE A C 2331 O O . ILE A 300 ? 0.2876 0.3082 0.3498 0.0290 0.0153 0.0708 523 ILE A O 2332 C CB . ILE A 300 ? 0.3197 0.3344 0.3518 0.0407 0.0182 0.0735 523 ILE A CB 2333 C CG1 . ILE A 300 ? 0.3886 0.4084 0.4062 0.0513 0.0217 0.0791 523 ILE A CG1 2334 C CG2 . ILE A 300 ? 0.3324 0.3265 0.3537 0.0339 0.0136 0.0590 523 ILE A CG2 2335 C CD1 . ILE A 300 ? 0.4730 0.4951 0.5002 0.0536 0.0174 0.0820 523 ILE A CD1 2336 N N . CYS A 301 ? 0.2890 0.2871 0.3019 0.0255 0.0195 0.0492 524 CYS A N 2337 C CA . CYS A 301 ? 0.2678 0.2628 0.2897 0.0182 0.0158 0.0399 524 CYS A CA 2338 C C . CYS A 301 ? 0.3041 0.2850 0.3221 0.0139 0.0111 0.0311 524 CYS A C 2339 O O . CYS A 301 ? 0.3340 0.3017 0.3262 0.0127 0.0129 0.0242 524 CYS A O 2340 C CB . CYS A 301 ? 0.3492 0.3422 0.3499 0.0142 0.0196 0.0294 524 CYS A CB 2341 S SG . CYS A 301 ? 0.3336 0.3248 0.3402 0.0059 0.0153 0.0152 524 CYS A SG 2342 N N . ARG A 302 ? 0.2873 0.2701 0.3300 0.0118 0.0046 0.0314 525 ARG A N 2343 C CA . ARG A 302 ? 0.2294 0.2017 0.2708 0.0088 -0.0007 0.0235 525 ARG A CA 2344 C C . ARG A 302 ? 0.2871 0.2569 0.3367 0.0034 -0.0058 0.0115 525 ARG A C 2345 O O . ARG A 302 ? 0.3568 0.3335 0.4289 0.0037 -0.0091 0.0138 525 ARG A O 2346 C CB . ARG A 302 ? 0.2724 0.2505 0.3367 0.0118 -0.0052 0.0337 525 ARG A CB 2347 C CG . ARG A 302 ? 0.3575 0.3278 0.4251 0.0090 -0.0121 0.0252 525 ARG A CG 2348 C CD . ARG A 302 ? 0.3675 0.3465 0.4580 0.0113 -0.0165 0.0355 525 ARG A CD 2349 N NE . ARG A 302 ? 0.3651 0.3494 0.4433 0.0181 -0.0115 0.0448 525 ARG A NE 2350 C CZ . ARG A 302 ? 0.4053 0.4033 0.5016 0.0213 -0.0131 0.0563 525 ARG A CZ 2351 N NH1 . ARG A 302 ? 0.3737 0.3794 0.5016 0.0164 -0.0199 0.0603 525 ARG A NH1 2352 N NH2 . ARG A 302 ? 0.4052 0.4097 0.4881 0.0293 -0.0083 0.0634 525 ARG A NH2 2353 N N . ALA A 303 ? 0.2978 0.2578 0.3281 -0.0007 -0.0065 -0.0012 526 ALA A N 2354 C CA . ALA A 303 ? 0.3140 0.2737 0.3502 -0.0047 -0.0115 -0.0140 526 ALA A CA 2355 C C . ALA A 303 ? 0.3950 0.3493 0.4388 -0.0049 -0.0187 -0.0187 526 ALA A C 2356 O O . ALA A 303 ? 0.3993 0.3466 0.4282 -0.0042 -0.0179 -0.0176 526 ALA A O 2357 C CB . ALA A 303 ? 0.3208 0.2778 0.3299 -0.0101 -0.0069 -0.0252 526 ALA A CB 2358 N N . VAL A 304 ? 0.3159 0.2730 0.3818 -0.0052 -0.0263 -0.0247 527 VAL A N 2359 C CA . VAL A 304 ? 0.3326 0.2860 0.4052 -0.0058 -0.0341 -0.0325 527 VAL A CA 2360 C C . VAL A 304 ? 0.4428 0.3968 0.5049 -0.0082 -0.0359 -0.0491 527 VAL A C 2361 O O . VAL A 304 ? 0.3589 0.3184 0.4308 -0.0077 -0.0373 -0.0543 527 VAL A O 2362 C CB . VAL A 304 ? 0.4295 0.3850 0.5368 -0.0044 -0.0428 -0.0276 527 VAL A CB 2363 C CG1 . VAL A 304 ? 0.3662 0.3186 0.4803 -0.0052 -0.0520 -0.0393 527 VAL A CG1 2364 C CG2 . VAL A 304 ? 0.3557 0.3148 0.4738 -0.0027 -0.0407 -0.0104 527 VAL A CG2 2365 N N . HIS A 305 ? 0.3506 0.3005 0.3920 -0.0102 -0.0357 -0.0570 528 HIS A N 2366 C CA . HIS A 305 ? 0.3797 0.3331 0.4069 -0.0131 -0.0361 -0.0719 528 HIS A CA 2367 C C . HIS A 305 ? 0.4118 0.3617 0.4280 -0.0133 -0.0402 -0.0793 528 HIS A C 2368 O O . HIS A 305 ? 0.3688 0.3109 0.3722 -0.0128 -0.0384 -0.0725 528 HIS A O 2369 C CB . HIS A 305 ? 0.3046 0.2589 0.3051 -0.0181 -0.0263 -0.0718 528 HIS A CB 2370 C CG . HIS A 305 ? 0.4616 0.4248 0.4495 -0.0222 -0.0255 -0.0859 528 HIS A CG 2371 N ND1 . HIS A 305 ? 0.4877 0.4489 0.4540 -0.0259 -0.0251 -0.0930 528 HIS A ND1 2372 C CD2 . HIS A 305 ? 0.4290 0.4056 0.4225 -0.0226 -0.0250 -0.0937 528 HIS A CD2 2373 C CE1 . HIS A 305 ? 0.5036 0.4780 0.4633 -0.0292 -0.0239 -0.1044 528 HIS A CE1 2374 N NE2 . HIS A 305 ? 0.4560 0.4405 0.4323 -0.0269 -0.0241 -0.1057 528 HIS A NE2 2375 N N . GLU A 306 ? 0.3970 0.3536 0.4169 -0.0129 -0.0459 -0.0935 529 GLU A N 2376 C CA . GLU A 306 ? 0.4123 0.3682 0.4242 -0.0120 -0.0511 -0.1015 529 GLU A CA 2377 C C . GLU A 306 ? 0.4325 0.3827 0.4099 -0.0157 -0.0441 -0.0994 529 GLU A C 2378 O O . GLU A 306 ? 0.4929 0.4394 0.4617 -0.0138 -0.0474 -0.1003 529 GLU A O 2379 C CB . GLU A 306 ? 0.4437 0.4102 0.4634 -0.0100 -0.0579 -0.1187 529 GLU A CB 2380 C CG . GLU A 306 ? 0.4948 0.4719 0.5007 -0.0130 -0.0520 -0.1262 529 GLU A CG 2381 C CD . GLU A 306 ? 0.6762 0.6656 0.6953 -0.0082 -0.0597 -0.1430 529 GLU A CD 2382 O OE1 . GLU A 306 ? 0.5977 0.5906 0.6353 -0.0047 -0.0621 -0.1451 529 GLU A OE1 2383 O OE2 . GLU A 306 ? 0.6791 0.6746 0.6896 -0.0068 -0.0638 -0.1542 529 GLU A OE2 2384 N N . ALA A 307 ? 0.3825 0.3313 0.3399 -0.0212 -0.0350 -0.0963 530 ALA A N 2385 C CA . ALA A 307 ? 0.4795 0.4193 0.4025 -0.0264 -0.0283 -0.0937 530 ALA A CA 2386 C C . ALA A 307 ? 0.5157 0.4388 0.4268 -0.0247 -0.0244 -0.0799 530 ALA A C 2387 O O . ALA A 307 ? 0.5473 0.4581 0.4301 -0.0271 -0.0207 -0.0768 530 ALA A O 2388 C CB . ALA A 307 ? 0.4824 0.4287 0.3887 -0.0347 -0.0210 -0.0979 530 ALA A CB 2389 N N . ALA A 308 ? 0.4944 0.4173 0.4261 -0.0202 -0.0251 -0.0713 531 ALA A N 2390 C CA . ALA A 308 ? 0.4510 0.3617 0.3731 -0.0167 -0.0216 -0.0589 531 ALA A CA 2391 C C . ALA A 308 ? 0.4507 0.3581 0.3756 -0.0100 -0.0274 -0.0562 531 ALA A C 2392 O O . ALA A 308 ? 0.4700 0.3870 0.4169 -0.0076 -0.0352 -0.0614 531 ALA A O 2393 C CB . ALA A 308 ? 0.4462 0.3620 0.3891 -0.0140 -0.0198 -0.0500 531 ALA A CB 2394 N N . SER A 309 ? 0.5411 0.4350 0.4437 -0.0065 -0.0242 -0.0486 532 SER A N 2395 C CA . SER A 309 ? 0.6166 0.5096 0.5213 0.0013 -0.0296 -0.0454 532 SER A CA 2396 C C . SER A 309 ? 0.6628 0.5465 0.5568 0.0085 -0.0259 -0.0336 532 SER A C 2397 O O . SER A 309 ? 0.6425 0.5148 0.5179 0.0067 -0.0190 -0.0295 532 SER A O 2398 C CB . SER A 309 ? 0.7149 0.6018 0.5966 0.0006 -0.0319 -0.0524 532 SER A CB 2399 O OG . SER A 309 ? 0.8607 0.7292 0.7062 -0.0032 -0.0249 -0.0500 532 SER A OG 2400 N N . PRO A 310 ? 0.5790 0.4687 0.4841 0.0170 -0.0308 -0.0288 533 PRO A N 2401 C CA . PRO A 310 ? 0.6557 0.5573 0.5779 0.0191 -0.0396 -0.0345 533 PRO A CA 2402 C C . PRO A 310 ? 0.7439 0.6628 0.7048 0.0151 -0.0459 -0.0388 533 PRO A C 2403 O O . PRO A 310 ? 0.9094 0.8349 0.8798 0.0138 -0.0531 -0.0484 533 PRO A O 2404 C CB . PRO A 310 ? 0.7278 0.6319 0.6493 0.0298 -0.0417 -0.0260 533 PRO A CB 2405 C CG . PRO A 310 ? 0.6714 0.5733 0.5921 0.0331 -0.0352 -0.0154 533 PRO A CG 2406 C CD . PRO A 310 ? 0.5361 0.4231 0.4365 0.0260 -0.0279 -0.0177 533 PRO A CD 2407 N N . SER A 311 ? 0.5403 0.4657 0.5225 0.0136 -0.0436 -0.0319 534 SER A N 2408 C CA . SER A 311 ? 0.4588 0.3978 0.4786 0.0106 -0.0503 -0.0332 534 SER A CA 2409 C C . SER A 311 ? 0.3932 0.3324 0.4238 0.0047 -0.0482 -0.0362 534 SER A C 2410 O O . SER A 311 ? 0.3829 0.3295 0.4404 0.0036 -0.0496 -0.0296 534 SER A O 2411 C CB . SER A 311 ? 0.5640 0.5143 0.6058 0.0146 -0.0514 -0.0203 534 SER A CB 2412 O OG . SER A 311 ? 0.6338 0.5886 0.6709 0.0207 -0.0553 -0.0191 534 SER A OG 2413 N N . GLN A 312 ? 0.3806 0.3131 0.3906 0.0011 -0.0451 -0.0456 535 GLN A N 2414 C CA . GLN A 312 ? 0.3712 0.3064 0.3895 -0.0034 -0.0436 -0.0506 535 GLN A CA 2415 C C . GLN A 312 ? 0.3907 0.3267 0.4130 -0.0034 -0.0368 -0.0393 535 GLN A C 2416 O O . GLN A 312 ? 0.4173 0.3587 0.4571 -0.0050 -0.0373 -0.0395 535 GLN A O 2417 C CB . GLN A 312 ? 0.3698 0.3126 0.4190 -0.0041 -0.0532 -0.0582 535 GLN A CB 2418 C CG . GLN A 312 ? 0.4036 0.3479 0.4482 -0.0041 -0.0602 -0.0730 535 GLN A CG 2419 C CD . GLN A 312 ? 0.4952 0.4409 0.5434 -0.0008 -0.0660 -0.0714 535 GLN A CD 2420 O OE1 . GLN A 312 ? 0.5133 0.4636 0.5863 0.0002 -0.0707 -0.0642 535 GLN A OE1 2421 N NE2 . GLN A 312 ? 0.6014 0.5447 0.6249 0.0007 -0.0658 -0.0775 535 GLN A NE2 2422 N N . THR A 313 ? 0.3678 0.2982 0.3724 -0.0004 -0.0306 -0.0298 536 THR A N 2423 C CA . THR A 313 ? 0.3602 0.2933 0.3681 0.0012 -0.0245 -0.0188 536 THR A CA 2424 C C . THR A 313 ? 0.3795 0.3013 0.3539 0.0015 -0.0162 -0.0170 536 THR A C 2425 O O . THR A 313 ? 0.3813 0.2920 0.3326 0.0039 -0.0154 -0.0175 536 THR A O 2426 C CB . THR A 313 ? 0.4775 0.4196 0.5068 0.0067 -0.0266 -0.0061 536 THR A CB 2427 O OG1 . THR A 313 ? 0.5332 0.4840 0.5951 0.0045 -0.0349 -0.0073 536 THR A OG1 2428 C CG2 . THR A 313 ? 0.4471 0.3950 0.4796 0.0092 -0.0201 0.0058 536 THR A CG2 2429 N N . VAL A 314 ? 0.3773 0.3011 0.3487 -0.0008 -0.0107 -0.0151 537 VAL A N 2430 C CA . VAL A 314 ? 0.3600 0.2734 0.3025 -0.0009 -0.0033 -0.0129 537 VAL A CA 2431 C C . VAL A 314 ? 0.4329 0.3570 0.3877 0.0017 0.0006 -0.0046 537 VAL A C 2432 O O . VAL A 314 ? 0.3697 0.3058 0.3466 -0.0003 -0.0009 -0.0048 537 VAL A O 2433 C CB . VAL A 314 ? 0.4825 0.3869 0.4002 -0.0098 -0.0004 -0.0237 537 VAL A CB 2434 C CG1 . VAL A 314 ? 0.5329 0.4511 0.4669 -0.0151 -0.0010 -0.0302 537 VAL A CG1 2435 C CG2 . VAL A 314 ? 0.4703 0.3606 0.3573 -0.0113 0.0064 -0.0217 537 VAL A CG2 2436 N N . GLN A 315 ? 0.3330 0.2529 0.2733 0.0072 0.0053 0.0028 538 GLN A N 2437 C CA . GLN A 315 ? 0.3273 0.2600 0.2790 0.0114 0.0090 0.0117 538 GLN A CA 2438 C C . GLN A 315 ? 0.3612 0.2846 0.2844 0.0141 0.0152 0.0124 538 GLN A C 2439 O O . GLN A 315 ? 0.3599 0.2645 0.2554 0.0144 0.0161 0.0083 538 GLN A O 2440 C CB . GLN A 315 ? 0.3014 0.2480 0.2782 0.0190 0.0066 0.0241 538 GLN A CB 2441 C CG . GLN A 315 ? 0.4302 0.3701 0.3912 0.0272 0.0071 0.0280 538 GLN A CG 2442 C CD . GLN A 315 ? 0.4794 0.4372 0.4658 0.0340 0.0046 0.0400 538 GLN A CD 2443 O OE1 . GLN A 315 ? 0.4043 0.3755 0.4214 0.0305 0.0009 0.0444 538 GLN A OE1 2444 N NE2 . GLN A 315 ? 0.4549 0.4130 0.4282 0.0439 0.0065 0.0451 538 GLN A NE2 2445 N N . ARG A 316 ? 0.3299 0.2656 0.2594 0.0163 0.0189 0.0176 539 ARG A N 2446 C CA . ARG A 316 ? 0.3189 0.2484 0.2239 0.0199 0.0242 0.0178 539 ARG A CA 2447 C C . ARG A 316 ? 0.3817 0.3320 0.3035 0.0283 0.0267 0.0292 539 ARG A C 2448 O O . ARG A 316 ? 0.3692 0.3362 0.3141 0.0263 0.0263 0.0331 539 ARG A O 2449 C CB . ARG A 316 ? 0.4179 0.3396 0.3040 0.0097 0.0268 0.0070 539 ARG A CB 2450 C CG . ARG A 316 ? 0.3732 0.2864 0.2328 0.0116 0.0313 0.0052 539 ARG A CG 2451 C CD . ARG A 316 ? 0.4858 0.3737 0.3166 0.0157 0.0312 0.0036 539 ARG A CD 2452 N NE . ARG A 316 ? 0.5727 0.4391 0.3842 0.0052 0.0297 -0.0051 539 ARG A NE 2453 C CZ . ARG A 316 ? 0.6427 0.4887 0.4245 -0.0035 0.0317 -0.0130 539 ARG A CZ 2454 N NH1 . ARG A 316 ? 0.4990 0.3420 0.2664 -0.0027 0.0346 -0.0148 539 ARG A NH1 2455 N NH2 . ARG A 316 ? 0.7084 0.5371 0.4744 -0.0134 0.0305 -0.0189 539 ARG A NH2 2456 N N . ALA A 317 ? 0.3257 0.2754 0.2355 0.0385 0.0291 0.0348 540 ALA A N 2457 C CA . ALA A 317 ? 0.3712 0.3427 0.2932 0.0472 0.0323 0.0457 540 ALA A CA 2458 C C . ALA A 317 ? 0.3311 0.3014 0.2330 0.0473 0.0367 0.0406 540 ALA A C 2459 O O . ALA A 317 ? 0.3908 0.3400 0.2645 0.0424 0.0374 0.0294 540 ALA A O 2460 C CB . ALA A 317 ? 0.3508 0.3279 0.2715 0.0599 0.0327 0.0543 540 ALA A CB 2461 N N . VAL A 318 ? 0.3401 0.3336 0.2566 0.0524 0.0394 0.0493 541 VAL A N 2462 C CA . VAL A 318 ? 0.3943 0.3922 0.2942 0.0546 0.0433 0.0456 541 VAL A CA 2463 C C . VAL A 318 ? 0.3644 0.3872 0.2744 0.0679 0.0464 0.0589 541 VAL A C 2464 O O . VAL A 318 ? 0.3561 0.3975 0.2934 0.0711 0.0458 0.0722 541 VAL A O 2465 C CB . VAL A 318 ? 0.4240 0.4289 0.3316 0.0448 0.0433 0.0402 541 VAL A CB 2466 C CG1 . VAL A 318 ? 0.3429 0.3714 0.2847 0.0467 0.0424 0.0527 541 VAL A CG1 2467 C CG2 . VAL A 318 ? 0.4144 0.4216 0.3007 0.0452 0.0467 0.0331 541 VAL A CG2 2468 N N . SER A 319 ? 0.3541 0.3771 0.2415 0.0752 0.0495 0.0551 542 SER A N 2469 C CA . SER A 319 ? 0.3258 0.3755 0.2198 0.0887 0.0530 0.0666 542 SER A CA 2470 C C . SER A 319 ? 0.3840 0.4464 0.2715 0.0887 0.0557 0.0634 542 SER A C 2471 O O . SER A 319 ? 0.4565 0.5024 0.3236 0.0810 0.0551 0.0492 542 SER A O 2472 C CB . SER A 319 ? 0.4240 0.4664 0.2956 0.1018 0.0539 0.0649 542 SER A CB 2473 O OG . SER A 319 ? 0.4225 0.4543 0.2984 0.1029 0.0511 0.0672 542 SER A OG 2474 N N . VAL A 320 ? 0.3861 0.4793 0.2908 0.0970 0.0586 0.0770 543 VAL A N 2475 C CA . VAL A 320 ? 0.4895 0.5998 0.3890 0.0996 0.0612 0.0756 543 VAL A CA 2476 C C . VAL A 320 ? 0.5786 0.6825 0.4456 0.1079 0.0628 0.0645 543 VAL A C 2477 O O . VAL A 320 ? 0.6190 0.7200 0.4702 0.1039 0.0629 0.0531 543 VAL A O 2478 C CB . VAL A 320 ? 0.4262 0.5717 0.3518 0.1075 0.0640 0.0952 543 VAL A CB 2479 C CG1 . VAL A 320 ? 0.4378 0.6042 0.3549 0.1133 0.0669 0.0943 543 VAL A CG1 2480 C CG2 . VAL A 320 ? 0.3831 0.5310 0.3397 0.0982 0.0614 0.1048 543 VAL A CG2 2481 N N . ASN A 321 ? 0.5887 0.6904 0.4456 0.1196 0.0635 0.0669 544 ASN A N 2482 C CA . ASN A 321 ? 0.7283 0.8231 0.5540 0.1302 0.0642 0.0564 544 ASN A CA 2483 C C . ASN A 321 ? 0.9677 1.0257 0.7677 0.1304 0.0611 0.0445 544 ASN A C 2484 O O . ASN A 321 ? 0.9833 1.0304 0.7923 0.1281 0.0594 0.0488 544 ASN A O 2485 C CB . ASN A 321 ? 0.7749 0.9038 0.6061 0.1487 0.0681 0.0688 544 ASN A CB 2486 C CG . ASN A 321 ? 0.8026 0.9651 0.6487 0.1503 0.0712 0.0778 544 ASN A CG 2487 O OD1 . ASN A 321 ? 0.8812 1.0396 0.7220 0.1415 0.0703 0.0690 544 ASN A OD1 2488 N ND2 . ASN A 321 ? 0.8089 1.0063 0.6735 0.1615 0.0749 0.0959 544 ASN A ND2 2489 N N . PRO A 322 ? 1.1449 1.1828 0.9123 0.1333 0.0599 0.0294 545 PRO A N 2490 C CA . PRO A 322 ? 1.2333 1.2321 0.9715 0.1346 0.0565 0.0176 545 PRO A CA 2491 C C . PRO A 322 ? 1.2432 1.2459 0.9828 0.1512 0.0565 0.0259 545 PRO A C 2492 O O . PRO A 322 ? 1.2274 1.1984 0.9485 0.1522 0.0533 0.0194 545 PRO A O 2493 C CB . PRO A 322 ? 1.2156 1.2035 0.9227 0.1396 0.0557 0.0032 545 PRO A CB 2494 C CG . PRO A 322 ? 1.1650 1.1771 0.8844 0.1312 0.0577 0.0030 545 PRO A CG 2495 C CD . PRO A 322 ? 1.1439 1.1941 0.9000 0.1344 0.0612 0.0221 545 PRO A CD 2519 N N . ASP B 4 ? 1.0787 1.1705 0.7814 -0.4903 0.1219 -0.2168 228 ASP B N 2520 C CA . ASP B 4 ? 1.0336 1.1061 0.7309 -0.4793 0.1105 -0.1997 228 ASP B CA 2521 C C . ASP B 4 ? 0.9445 1.0220 0.6708 -0.4439 0.0950 -0.1856 228 ASP B C 2522 O O . ASP B 4 ? 0.8356 0.9023 0.5643 -0.4301 0.0858 -0.1725 228 ASP B O 2523 C CB . ASP B 4 ? 1.2025 1.2282 0.8530 -0.5062 0.0996 -0.1824 228 ASP B CB 2524 C CG . ASP B 4 ? 1.2848 1.3020 0.9020 -0.5428 0.1151 -0.1952 228 ASP B CG 2525 O OD1 . ASP B 4 ? 1.2464 1.2941 0.8795 -0.5445 0.1346 -0.2167 228 ASP B OD1 2526 O OD2 . ASP B 4 ? 1.3426 1.3219 0.9177 -0.5703 0.1076 -0.1842 228 ASP B OD2 2527 N N . PHE B 5 ? 0.9011 0.9947 0.6487 -0.4301 0.0924 -0.1887 229 PHE B N 2528 C CA . PHE B 5 ? 0.9693 1.0694 0.7445 -0.3976 0.0794 -0.1773 229 PHE B CA 2529 C C . PHE B 5 ? 0.9165 1.0387 0.7180 -0.3741 0.0834 -0.1813 229 PHE B C 2530 O O . PHE B 5 ? 0.8534 1.0055 0.6730 -0.3711 0.0980 -0.2001 229 PHE B O 2531 C CB . PHE B 5 ? 0.9961 1.1170 0.7932 -0.3864 0.0799 -0.1848 229 PHE B CB 2532 C CG . PHE B 5 ? 1.0895 1.2236 0.9180 -0.3527 0.0704 -0.1776 229 PHE B CG 2533 C CD1 . PHE B 5 ? 1.1154 1.2253 0.9401 -0.3429 0.0533 -0.1579 229 PHE B CD1 2534 C CD2 . PHE B 5 ? 1.0768 1.2470 0.9385 -0.3313 0.0782 -0.1909 229 PHE B CD2 2535 C CE1 . PHE B 5 ? 1.0768 1.1989 0.9291 -0.3137 0.0458 -0.1523 229 PHE B CE1 2536 C CE2 . PHE B 5 ? 1.0650 1.2453 0.9521 -0.3022 0.0694 -0.1841 229 PHE B CE2 2537 C CZ . PHE B 5 ? 1.0367 1.1933 0.9185 -0.2940 0.0541 -0.1650 229 PHE B CZ 2538 N N . THR B 6 ? 0.8811 0.9880 0.6852 -0.3577 0.0701 -0.1638 230 THR B N 2539 C CA . THR B 6 ? 0.8429 0.9657 0.6683 -0.3362 0.0722 -0.1651 230 THR B CA 2540 C C . THR B 6 ? 0.7857 0.9163 0.6374 -0.3055 0.0610 -0.1556 230 THR B C 2541 O O . THR B 6 ? 0.7647 0.8725 0.6096 -0.3007 0.0466 -0.1380 230 THR B O 2542 C CB . THR B 6 ? 0.9684 1.0662 0.7710 -0.3463 0.0687 -0.1542 230 THR B CB 2543 O OG1 . THR B 6 ? 0.9441 1.0351 0.7208 -0.3761 0.0806 -0.1644 230 THR B OG1 2544 C CG2 . THR B 6 ? 0.9701 1.0833 0.7943 -0.3237 0.0707 -0.1552 230 THR B CG2 2545 N N . PRO B 7 ? 0.8655 1.0284 0.7477 -0.2852 0.0674 -0.1680 231 PRO B N 2546 C CA . PRO B 7 ? 0.8546 1.0266 0.7610 -0.2569 0.0582 -0.1608 231 PRO B CA 2547 C C . PRO B 7 ? 0.7671 0.9300 0.6766 -0.2420 0.0518 -0.1490 231 PRO B C 2548 O O . PRO B 7 ? 0.7943 0.9574 0.6981 -0.2471 0.0583 -0.1530 231 PRO B O 2549 C CB . PRO B 7 ? 0.8830 1.0913 0.8171 -0.2438 0.0679 -0.1795 231 PRO B CB 2550 C CG . PRO B 7 ? 0.9392 1.1576 0.8647 -0.2670 0.0819 -0.1968 231 PRO B CG 2551 C CD . PRO B 7 ? 0.9349 1.1274 0.8306 -0.2888 0.0834 -0.1903 231 PRO B CD 2552 N N . PRO B 8 ? 0.7735 0.9286 0.6919 -0.2244 0.0398 -0.1354 232 PRO B N 2553 C CA . PRO B 8 ? 0.7589 0.9065 0.6810 -0.2104 0.0343 -0.1250 232 PRO B CA 2554 C C . PRO B 8 ? 0.6947 0.8684 0.6389 -0.1918 0.0414 -0.1359 232 PRO B C 2555 O O . PRO B 8 ? 0.6876 0.8843 0.6501 -0.1819 0.0453 -0.1470 232 PRO B O 2556 C CB . PRO B 8 ? 0.7393 0.8762 0.6688 -0.1965 0.0213 -0.1108 232 PRO B CB 2557 C CG . PRO B 8 ? 0.7873 0.9208 0.7126 -0.2064 0.0190 -0.1123 232 PRO B CG 2558 C CD . PRO B 8 ? 0.7143 0.8684 0.6411 -0.2163 0.0318 -0.1302 232 PRO B CD 2559 N N . THR B 9 ? 0.6200 0.7894 0.5621 -0.1875 0.0425 -0.1329 233 THR B N 2560 C CA . THR B 9 ? 0.6150 0.8031 0.5780 -0.1659 0.0449 -0.1386 233 THR B CA 2561 C C . THR B 9 ? 0.6083 0.7820 0.5721 -0.1512 0.0348 -0.1224 233 THR B C 2562 O O . THR B 9 ? 0.5257 0.6762 0.4737 -0.1601 0.0281 -0.1090 233 THR B O 2563 C CB . THR B 9 ? 0.6179 0.8168 0.5817 -0.1710 0.0562 -0.1518 233 THR B CB 2564 O OG1 . THR B 9 ? 0.6359 0.8132 0.5798 -0.1823 0.0554 -0.1429 233 THR B OG1 2565 C CG2 . THR B 9 ? 0.6147 0.8278 0.5774 -0.1882 0.0674 -0.1690 233 THR B CG2 2566 N N . VAL B 10 ? 0.5146 0.7019 0.4968 -0.1294 0.0332 -0.1238 234 VAL B N 2567 C CA . VAL B 10 ? 0.4576 0.6336 0.4422 -0.1151 0.0244 -0.1099 234 VAL B CA 2568 C C . VAL B 10 ? 0.4810 0.6617 0.4715 -0.1024 0.0267 -0.1115 234 VAL B C 2569 O O . VAL B 10 ? 0.4790 0.6786 0.4827 -0.0930 0.0318 -0.1237 234 VAL B O 2570 C CB . VAL B 10 ? 0.5038 0.6870 0.5019 -0.1008 0.0186 -0.1072 234 VAL B CB 2571 C CG1 . VAL B 10 ? 0.5561 0.7280 0.5566 -0.0875 0.0109 -0.0941 234 VAL B CG1 2572 C CG2 . VAL B 10 ? 0.5939 0.7710 0.5863 -0.1131 0.0160 -0.1056 234 VAL B CG2 2573 N N . LYS B 11 ? 0.4520 0.6149 0.4332 -0.1020 0.0221 -0.0992 235 LYS B N 2574 C CA . LYS B 11 ? 0.4111 0.5738 0.3940 -0.0925 0.0239 -0.0991 235 LYS B CA 2575 C C . LYS B 11 ? 0.4515 0.5993 0.4325 -0.0837 0.0152 -0.0837 235 LYS B C 2576 O O . LYS B 11 ? 0.4445 0.5772 0.4174 -0.0920 0.0092 -0.0733 235 LYS B O 2577 C CB . LYS B 11 ? 0.5089 0.6634 0.4771 -0.1092 0.0301 -0.1022 235 LYS B CB 2578 C CG . LYS B 11 ? 0.5792 0.7262 0.5438 -0.1037 0.0309 -0.0987 235 LYS B CG 2579 C CD . LYS B 11 ? 0.5997 0.7398 0.5490 -0.1224 0.0385 -0.1039 235 LYS B CD 2580 C CE . LYS B 11 ? 0.7047 0.8244 0.6333 -0.1429 0.0343 -0.0938 235 LYS B CE 2581 N NZ . LYS B 11 ? 0.8604 0.9702 0.7703 -0.1625 0.0412 -0.0975 235 LYS B NZ 2582 N N . ILE B 12 ? 0.3766 0.5283 0.3656 -0.0670 0.0141 -0.0827 236 ILE B N 2583 C CA . ILE B 12 ? 0.3885 0.5265 0.3754 -0.0598 0.0073 -0.0692 236 ILE B CA 2584 C C . ILE B 12 ? 0.4130 0.5423 0.3927 -0.0585 0.0089 -0.0661 236 ILE B C 2585 O O . ILE B 12 ? 0.3736 0.5117 0.3574 -0.0511 0.0135 -0.0745 236 ILE B O 2586 C CB . ILE B 12 ? 0.3573 0.5034 0.3566 -0.0422 0.0037 -0.0682 236 ILE B CB 2587 C CG1 . ILE B 12 ? 0.3745 0.5295 0.3811 -0.0431 0.0023 -0.0716 236 ILE B CG1 2588 C CG2 . ILE B 12 ? 0.3407 0.4731 0.3377 -0.0366 -0.0019 -0.0555 236 ILE B CG2 2589 C CD1 . ILE B 12 ? 0.3593 0.5220 0.3763 -0.0275 -0.0008 -0.0714 236 ILE B CD1 2590 N N . LEU B 13 ? 0.3441 0.4557 0.3138 -0.0655 0.0045 -0.0544 237 LEU B N 2591 C CA . LEU B 13 ? 0.3524 0.4541 0.3148 -0.0641 0.0051 -0.0499 237 LEU B CA 2592 C C . LEU B 13 ? 0.3878 0.4832 0.3546 -0.0524 -0.0008 -0.0398 237 LEU B C 2593 O O . LEU B 13 ? 0.3935 0.4889 0.3671 -0.0496 -0.0057 -0.0351 237 LEU B O 2594 C CB . LEU B 13 ? 0.3595 0.4452 0.3059 -0.0824 0.0044 -0.0443 237 LEU B CB 2595 C CG . LEU B 13 ? 0.4520 0.5403 0.3895 -0.0986 0.0108 -0.0534 237 LEU B CG 2596 C CD1 . LEU B 13 ? 0.4282 0.4969 0.3463 -0.1170 0.0088 -0.0459 237 LEU B CD1 2597 C CD2 . LEU B 13 ? 0.4224 0.5257 0.3657 -0.0931 0.0203 -0.0678 237 LEU B CD2 2598 N N . GLN B 14 ? 0.4065 0.4963 0.3697 -0.0462 0.0001 -0.0371 238 GLN B N 2599 C CA . GLN B 14 ? 0.4186 0.5022 0.3848 -0.0365 -0.0044 -0.0283 238 GLN B CA 2600 C C . GLN B 14 ? 0.3619 0.4303 0.3180 -0.0414 -0.0057 -0.0201 238 GLN B C 2601 O O . GLN B 14 ? 0.3894 0.4536 0.3362 -0.0479 -0.0019 -0.0228 238 GLN B O 2602 C CB . GLN B 14 ? 0.3572 0.4499 0.3297 -0.0203 -0.0028 -0.0334 238 GLN B CB 2603 C CG . GLN B 14 ? 0.4839 0.5746 0.4508 -0.0159 0.0009 -0.0376 238 GLN B CG 2604 C CD . GLN B 14 ? 0.6054 0.6998 0.5761 0.0003 -0.0002 -0.0398 238 GLN B CD 2605 O OE1 . GLN B 14 ? 0.5553 0.6621 0.5342 0.0079 -0.0002 -0.0475 238 GLN B OE1 2606 N NE2 . GLN B 14 ? 0.6977 0.7804 0.6615 0.0048 -0.0016 -0.0328 238 GLN B NE2 2607 N N . SER B 15 ? 0.3283 0.3893 0.2872 -0.0385 -0.0107 -0.0108 239 SER B N 2608 C CA . SER B 15 ? 0.3733 0.4214 0.3249 -0.0404 -0.0121 -0.0032 239 SER B CA 2609 C C . SER B 15 ? 0.3671 0.4156 0.3123 -0.0334 -0.0068 -0.0079 239 SER B C 2610 O O . SER B 15 ? 0.3423 0.3990 0.2924 -0.0213 -0.0049 -0.0132 239 SER B O 2611 C CB . SER B 15 ? 0.3184 0.3640 0.2781 -0.0336 -0.0162 0.0038 239 SER B CB 2612 O OG . SER B 15 ? 0.4689 0.5140 0.4372 -0.0388 -0.0217 0.0075 239 SER B OG 2613 N N . SER B 16 ? 0.3293 0.3677 0.2633 -0.0412 -0.0052 -0.0059 240 SER B N 2614 C CA . SER B 16 ? 0.2904 0.3270 0.2183 -0.0351 -0.0004 -0.0105 240 SER B CA 2615 C C . SER B 16 ? 0.4206 0.4493 0.3464 -0.0262 -0.0022 -0.0040 240 SER B C 2616 O O . SER B 16 ? 0.3598 0.3822 0.2867 -0.0289 -0.0063 0.0047 240 SER B O 2617 C CB . SER B 16 ? 0.3358 0.3637 0.2515 -0.0482 0.0028 -0.0114 240 SER B CB 2618 O OG . SER B 16 ? 0.4830 0.5188 0.3988 -0.0561 0.0067 -0.0203 240 SER B OG 2619 N N . CYS B 17 ? 0.3379 0.3665 0.2611 -0.0161 0.0005 -0.0086 241 CYS B N 2620 C CA . CYS B 17 ? 0.3341 0.3517 0.2506 -0.0105 -0.0005 -0.0023 241 CYS B CA 2621 C C . CYS B 17 ? 0.4150 0.4197 0.3203 -0.0208 0.0007 0.0023 241 CYS B C 2622 O O . CYS B 17 ? 0.3271 0.3316 0.2287 -0.0308 0.0030 -0.0011 241 CYS B O 2623 C CB . CYS B 17 ? 0.3648 0.3832 0.2800 0.0031 0.0004 -0.0080 241 CYS B CB 2624 S SG . CYS B 17 ? 0.3772 0.4068 0.3020 0.0152 -0.0027 -0.0105 241 CYS B SG 2625 N N . ASP B 18 ? 0.4075 0.4012 0.3066 -0.0196 -0.0007 0.0096 242 ASP B N 2626 C CA . ASP B 18 ? 0.4084 0.3893 0.2965 -0.0292 0.0001 0.0144 242 ASP B CA 2627 C C . ASP B 18 ? 0.4156 0.3909 0.2944 -0.0263 0.0047 0.0083 242 ASP B C 2628 O O . ASP B 18 ? 0.4143 0.3963 0.2971 -0.0166 0.0067 -0.0001 242 ASP B O 2629 C CB . ASP B 18 ? 0.4102 0.3823 0.2962 -0.0297 -0.0027 0.0239 242 ASP B CB 2630 C CG . ASP B 18 ? 0.4527 0.4203 0.3341 -0.0181 -0.0013 0.0237 242 ASP B CG 2631 O OD1 . ASP B 18 ? 0.3895 0.3564 0.2664 -0.0101 0.0010 0.0174 242 ASP B OD1 2632 O OD2 . ASP B 18 ? 0.4751 0.4393 0.3575 -0.0174 -0.0028 0.0296 242 ASP B OD2 2633 N N . GLY B 19 ? 0.4313 0.3939 0.2987 -0.0344 0.0060 0.0123 243 GLY B N 2634 C CA . GLY B 19 ? 0.4206 0.3766 0.2792 -0.0334 0.0108 0.0060 243 GLY B CA 2635 C C . GLY B 19 ? 0.4492 0.4001 0.3056 -0.0190 0.0107 0.0045 243 GLY B C 2636 O O . GLY B 19 ? 0.4668 0.4132 0.3191 -0.0147 0.0138 -0.0023 243 GLY B O 2637 N N . GLY B 20 ? 0.4042 0.3550 0.2630 -0.0121 0.0069 0.0103 244 GLY B N 2638 C CA . GLY B 20 ? 0.4121 0.3561 0.2661 0.0005 0.0057 0.0098 244 GLY B CA 2639 C C . GLY B 20 ? 0.4774 0.4329 0.3412 0.0125 0.0036 0.0030 244 GLY B C 2640 O O . GLY B 20 ? 0.4322 0.3819 0.2918 0.0234 0.0011 0.0018 244 GLY B O 2641 N N . GLY B 21 ? 0.3893 0.3601 0.2652 0.0099 0.0039 -0.0014 245 GLY B N 2642 C CA . GLY B 21 ? 0.4209 0.4042 0.3072 0.0200 0.0017 -0.0076 245 GLY B CA 2643 C C . GLY B 21 ? 0.4286 0.4153 0.3179 0.0231 -0.0016 -0.0018 245 GLY B C 2644 O O . GLY B 21 ? 0.3590 0.3524 0.2531 0.0326 -0.0043 -0.0056 245 GLY B O 2645 N N . HIS B 22 ? 0.3686 0.3509 0.2557 0.0148 -0.0015 0.0066 246 HIS B N 2646 C CA . HIS B 22 ? 0.3844 0.3695 0.2752 0.0168 -0.0035 0.0113 246 HIS B CA 2647 C C . HIS B 22 ? 0.4096 0.4076 0.3141 0.0112 -0.0042 0.0111 246 HIS B C 2648 O O . HIS B 22 ? 0.3852 0.3845 0.2927 0.0015 -0.0039 0.0122 246 HIS B O 2649 C CB . HIS B 22 ? 0.3577 0.3304 0.2401 0.0119 -0.0029 0.0197 246 HIS B CB 2650 C CG . HIS B 22 ? 0.4438 0.4009 0.3106 0.0153 -0.0022 0.0210 246 HIS B CG 2651 N ND1 . HIS B 22 ? 0.4940 0.4448 0.3524 0.0255 -0.0040 0.0191 246 HIS B ND1 2652 C CD2 . HIS B 22 ? 0.5129 0.4582 0.3701 0.0094 -0.0006 0.0241 246 HIS B CD2 2653 C CE1 . HIS B 22 ? 0.4975 0.4326 0.3419 0.0261 -0.0037 0.0211 246 HIS B CE1 2654 N NE2 . HIS B 22 ? 0.5243 0.4564 0.3682 0.0165 -0.0010 0.0239 246 HIS B NE2 2655 N N . PHE B 23 ? 0.3478 0.3539 0.2593 0.0166 -0.0055 0.0098 247 PHE B N 2656 C CA . PHE B 23 ? 0.3432 0.3603 0.2681 0.0119 -0.0065 0.0098 247 PHE B CA 2657 C C . PHE B 23 ? 0.3439 0.3568 0.2730 0.0029 -0.0075 0.0170 247 PHE B C 2658 O O . PHE B 23 ? 0.3921 0.3970 0.3165 0.0027 -0.0067 0.0217 247 PHE B O 2659 C CB . PHE B 23 ? 0.3691 0.3947 0.2996 0.0198 -0.0073 0.0065 247 PHE B CB 2660 C CG . PHE B 23 ? 0.4118 0.4446 0.3426 0.0281 -0.0081 -0.0013 247 PHE B CG 2661 C CD1 . PHE B 23 ? 0.5064 0.5338 0.4281 0.0378 -0.0096 -0.0029 247 PHE B CD1 2662 C CD2 . PHE B 23 ? 0.4052 0.4495 0.3450 0.0258 -0.0079 -0.0072 247 PHE B CD2 2663 C CE1 . PHE B 23 ? 0.6134 0.6479 0.5377 0.0461 -0.0117 -0.0105 247 PHE B CE1 2664 C CE2 . PHE B 23 ? 0.4224 0.4753 0.3652 0.0334 -0.0086 -0.0155 247 PHE B CE2 2665 C CZ . PHE B 23 ? 0.5591 0.6075 0.4953 0.0441 -0.0109 -0.0173 247 PHE B CZ 2666 N N . PRO B 24 ? 0.3733 0.3915 0.3119 -0.0047 -0.0097 0.0177 248 PRO B N 2667 C CA . PRO B 24 ? 0.3056 0.3221 0.2533 -0.0117 -0.0127 0.0236 248 PRO B CA 2668 C C . PRO B 24 ? 0.3743 0.3977 0.3324 -0.0060 -0.0122 0.0224 248 PRO B C 2669 O O . PRO B 24 ? 0.3325 0.3623 0.2900 0.0017 -0.0103 0.0172 248 PRO B O 2670 C CB . PRO B 24 ? 0.3904 0.4108 0.3446 -0.0196 -0.0163 0.0232 248 PRO B CB 2671 C CG . PRO B 24 ? 0.3834 0.4084 0.3312 -0.0179 -0.0135 0.0165 248 PRO B CG 2672 C CD . PRO B 24 ? 0.3580 0.3848 0.3005 -0.0065 -0.0100 0.0120 248 PRO B CD 2673 N N . PRO B 25 ? 0.4147 0.4369 0.3828 -0.0100 -0.0138 0.0264 249 PRO B N 2674 C CA . PRO B 25 ? 0.4330 0.4617 0.4126 -0.0061 -0.0121 0.0242 249 PRO B CA 2675 C C . PRO B 25 ? 0.3354 0.3749 0.3274 -0.0044 -0.0139 0.0199 249 PRO B C 2676 O O . PRO B 25 ? 0.4104 0.4564 0.4076 0.0007 -0.0113 0.0157 249 PRO B O 2677 C CB . PRO B 25 ? 0.4554 0.4812 0.4467 -0.0127 -0.0145 0.0287 249 PRO B CB 2678 C CG . PRO B 25 ? 0.5212 0.5370 0.5032 -0.0193 -0.0173 0.0341 249 PRO B CG 2679 C CD . PRO B 25 ? 0.4176 0.4326 0.3883 -0.0192 -0.0178 0.0324 249 PRO B CD 2680 N N . THR B 26 ? 0.3073 0.3473 0.3024 -0.0098 -0.0184 0.0207 250 THR B N 2681 C CA . THR B 26 ? 0.3617 0.4105 0.3660 -0.0091 -0.0202 0.0166 250 THR B CA 2682 C C . THR B 26 ? 0.3616 0.4111 0.3560 -0.0114 -0.0204 0.0141 250 THR B C 2683 O O . THR B 26 ? 0.3800 0.4220 0.3648 -0.0172 -0.0212 0.0171 250 THR B O 2684 C CB . THR B 26 ? 0.4818 0.5303 0.5027 -0.0154 -0.0264 0.0194 250 THR B CB 2685 O OG1 . THR B 26 ? 0.5229 0.5629 0.5388 -0.0247 -0.0320 0.0244 250 THR B OG1 2686 C CG2 . THR B 26 ? 0.4796 0.5274 0.5129 -0.0147 -0.0263 0.0212 250 THR B CG2 2687 N N . ILE B 27 ? 0.3310 0.3901 0.3283 -0.0075 -0.0192 0.0080 251 ILE B N 2688 C CA . ILE B 27 ? 0.3712 0.4339 0.3620 -0.0096 -0.0183 0.0035 251 ILE B CA 2689 C C . ILE B 27 ? 0.4140 0.4800 0.4127 -0.0166 -0.0220 0.0026 251 ILE B C 2690 O O . ILE B 27 ? 0.4049 0.4769 0.4146 -0.0137 -0.0231 0.0007 251 ILE B O 2691 C CB . ILE B 27 ? 0.3894 0.4617 0.3780 0.0005 -0.0146 -0.0040 251 ILE B CB 2692 C CG1 . ILE B 27 ? 0.5332 0.6004 0.5133 0.0084 -0.0123 -0.0028 251 ILE B CG1 2693 C CG2 . ILE B 27 ? 0.3873 0.4654 0.3720 -0.0016 -0.0131 -0.0104 251 ILE B CG2 2694 C CD1 . ILE B 27 ? 0.5380 0.5948 0.5072 0.0053 -0.0116 0.0008 251 ILE B CD1 2695 N N . GLN B 28 ? 0.3451 0.4061 0.3369 -0.0266 -0.0237 0.0036 252 GLN B N 2696 C CA . GLN B 28 ? 0.3957 0.4583 0.3911 -0.0344 -0.0269 0.0021 252 GLN B CA 2697 C C . GLN B 28 ? 0.3536 0.4260 0.3441 -0.0342 -0.0219 -0.0068 252 GLN B C 2698 O O . GLN B 28 ? 0.3315 0.4041 0.3126 -0.0352 -0.0178 -0.0101 252 GLN B O 2699 C CB . GLN B 28 ? 0.4606 0.5099 0.4501 -0.0480 -0.0329 0.0090 252 GLN B CB 2700 C CG . GLN B 28 ? 0.5297 0.5708 0.5291 -0.0491 -0.0402 0.0169 252 GLN B CG 2701 C CD . GLN B 28 ? 0.5745 0.6123 0.5730 -0.0440 -0.0382 0.0204 252 GLN B CD 2702 O OE1 . GLN B 28 ? 0.6452 0.6864 0.6554 -0.0366 -0.0381 0.0211 252 GLN B OE1 2703 N NE2 . GLN B 28 ? 0.4755 0.5068 0.4595 -0.0484 -0.0360 0.0220 252 GLN B NE2 2704 N N . LEU B 29 ? 0.3402 0.4216 0.3385 -0.0328 -0.0222 -0.0115 253 LEU B N 2705 C CA . LEU B 29 ? 0.2971 0.3884 0.2926 -0.0350 -0.0181 -0.0204 253 LEU B CA 2706 C C . LEU B 29 ? 0.3913 0.4764 0.3834 -0.0493 -0.0216 -0.0189 253 LEU B C 2707 O O . LEU B 29 ? 0.4246 0.5056 0.4238 -0.0514 -0.0271 -0.0147 253 LEU B O 2708 C CB . LEU B 29 ? 0.3074 0.4128 0.3125 -0.0243 -0.0161 -0.0272 253 LEU B CB 2709 C CG . LEU B 29 ? 0.2834 0.3926 0.2890 -0.0109 -0.0138 -0.0283 253 LEU B CG 2710 C CD1 . LEU B 29 ? 0.3272 0.4491 0.3401 -0.0015 -0.0128 -0.0349 253 LEU B CD1 2711 C CD2 . LEU B 29 ? 0.3400 0.4487 0.3370 -0.0098 -0.0104 -0.0316 253 LEU B CD2 2712 N N . LEU B 30 A 0.6120 0.4145 0.3006 -0.2216 0.0412 -0.0037 253 LEU B N 2713 C CA . LEU B 30 A 0.4945 0.3481 0.2308 -0.2156 0.0401 0.0064 253 LEU B CA 2714 C C . LEU B 30 A 0.5301 0.3609 0.2946 -0.1957 0.0279 0.0037 253 LEU B C 2715 O O . LEU B 30 A 0.6650 0.4778 0.4235 -0.1972 0.0241 -0.0025 253 LEU B O 2716 C CB . LEU B 30 A 0.5571 0.4518 0.2938 -0.2384 0.0513 0.0076 253 LEU B CB 2717 C CG . LEU B 30 A 0.6151 0.5704 0.3984 -0.2290 0.0538 0.0203 253 LEU B CG 2718 C CD1 . LEU B 30 A 0.5529 0.5582 0.3471 -0.2172 0.0611 0.0330 253 LEU B CD1 2719 C CD2 . LEU B 30 A 0.5356 0.5303 0.3184 -0.2506 0.0629 0.0171 253 LEU B CD2 2720 N N . CYS B 31 ? 0.5334 0.3658 0.3246 -0.1782 0.0229 0.0067 254 CYS B N 2721 C CA . CYS B 31 ? 0.5325 0.3491 0.3499 -0.1658 0.0137 -0.0003 254 CYS B CA 2722 C C . CYS B 31 ? 0.6114 0.4611 0.4656 -0.1679 0.0194 0.0108 254 CYS B C 2723 O O . CYS B 31 ? 0.5542 0.4259 0.4260 -0.1624 0.0295 0.0242 254 CYS B O 2724 C CB . CYS B 31 ? 0.5179 0.3171 0.3448 -0.1512 0.0093 -0.0061 254 CYS B CB 2725 S SG . CYS B 31 ? 0.6081 0.3984 0.4667 -0.1449 0.0016 -0.0214 254 CYS B SG 2726 N N . LEU B 32 ? 0.5672 0.4205 0.4286 -0.1720 0.0142 0.0068 255 LEU B N 2727 C CA . LEU B 32 ? 0.5018 0.3887 0.3991 -0.1730 0.0191 0.0179 255 LEU B CA 2728 C C . LEU B 32 ? 0.5175 0.3939 0.4421 -0.1676 0.0136 0.0107 255 LEU B C 2729 O O . LEU B 32 ? 0.5841 0.4467 0.5001 -0.1657 0.0009 -0.0055 255 LEU B O 2730 C CB . LEU B 32 ? 0.5717 0.4788 0.4624 -0.1823 0.0174 0.0188 255 LEU B CB 2731 C CG . LEU B 32 ? 0.5825 0.5074 0.4467 -0.1967 0.0270 0.0215 255 LEU B CG 2732 C CD1 . LEU B 32 ? 0.6873 0.6119 0.5340 -0.2076 0.0246 0.0155 255 LEU B CD1 2733 C CD2 . LEU B 32 ? 0.5823 0.5647 0.4701 -0.1954 0.0416 0.0376 255 LEU B CD2 2734 N N . VAL B 33 ? 0.4975 0.3824 0.4503 -0.1645 0.0259 0.0222 256 VAL B N 2735 C CA . VAL B 33 ? 0.6157 0.4914 0.5947 -0.1672 0.0265 0.0149 256 VAL B CA 2736 C C . VAL B 33 ? 0.7076 0.6162 0.7138 -0.1695 0.0315 0.0282 256 VAL B C 2737 O O . VAL B 33 ? 0.6482 0.5748 0.6666 -0.1624 0.0482 0.0491 256 VAL B O 2738 C CB . VAL B 33 ? 0.5577 0.4039 0.5422 -0.1635 0.0421 0.0176 256 VAL B CB 2739 C CG1 . VAL B 33 ? 0.6486 0.4804 0.6556 -0.1752 0.0459 0.0040 256 VAL B CG1 2740 C CG2 . VAL B 33 ? 0.6125 0.4335 0.5716 -0.1581 0.0360 0.0065 256 VAL B CG2 2741 N N . SER B 34 ? 0.7153 0.6374 0.7279 -0.1750 0.0169 0.0164 257 SER B N 2742 C CA . SER B 34 ? 0.6139 0.5726 0.6517 -0.1760 0.0171 0.0277 257 SER B CA 2743 C C . SER B 34 ? 0.6336 0.5925 0.7033 -0.1783 0.0360 0.0396 257 SER B C 2744 O O . SER B 34 ? 0.5320 0.4582 0.6041 -0.1859 0.0446 0.0296 257 SER B O 2745 C CB . SER B 34 ? 0.6113 0.5845 0.6437 -0.1781 -0.0034 0.0109 257 SER B CB 2746 O OG . SER B 34 ? 0.6332 0.5985 0.6730 -0.1857 -0.0066 -0.0086 257 SER B OG 2747 N N . GLY B 35 ? 0.6565 0.6507 0.7478 -0.1718 0.0445 0.0601 258 GLY B N 2748 C CA . GLY B 35 ? 0.6811 0.6734 0.7979 -0.1694 0.0671 0.0764 258 GLY B CA 2749 C C . GLY B 35 ? 0.6861 0.6444 0.8107 -0.1881 0.0717 0.0596 258 GLY B C 2750 O O . GLY B 35 ? 0.6941 0.6708 0.8260 -0.2021 0.0535 0.0404 258 GLY B O 2751 N N . TYR B 36 ? 0.6961 0.6067 0.8144 -0.1881 0.0981 0.0654 259 TYR B N 2752 C CA . TYR B 36 ? 0.6883 0.5583 0.8089 -0.2120 0.1087 0.0454 259 TYR B CA 2753 C C . TYR B 36 ? 0.7407 0.5652 0.8610 -0.2093 0.1479 0.0655 259 TYR B C 2754 O O . TYR B 36 ? 0.7656 0.5833 0.8746 -0.1809 0.1670 0.0941 259 TYR B O 2755 C CB . TYR B 36 ? 0.6727 0.5076 0.7698 -0.2181 0.1015 0.0217 259 TYR B CB 2756 C CG . TYR B 36 ? 0.7119 0.5116 0.7838 -0.1961 0.1166 0.0390 259 TYR B CG 2757 C CD1 . TYR B 36 ? 0.7766 0.5161 0.8337 -0.1933 0.1487 0.0472 259 TYR B CD1 2758 C CD2 . TYR B 36 ? 0.6601 0.4857 0.7174 -0.1781 0.1010 0.0466 259 TYR B CD2 2759 C CE1 . TYR B 36 ? 0.8201 0.5332 0.8481 -0.1674 0.1619 0.0641 259 TYR B CE1 2760 C CE2 . TYR B 36 ? 0.6942 0.5007 0.7270 -0.1579 0.1138 0.0615 259 TYR B CE2 2761 C CZ . TYR B 36 ? 0.7750 0.5287 0.7931 -0.1496 0.1428 0.0711 259 TYR B CZ 2762 O OH . TYR B 36 ? 0.7239 0.4641 0.7118 -0.1239 0.1548 0.0870 259 TYR B OH 2763 N N . THR B 37 ? 0.7988 0.5936 0.9264 -0.2382 0.1626 0.0493 260 THR B N 2764 C CA . THR B 37 ? 0.8452 0.5763 0.9621 -0.2395 0.2061 0.0656 260 THR B CA 2765 C C . THR B 37 ? 0.9316 0.5988 1.0103 -0.2173 0.2278 0.0763 260 THR B C 2766 O O . THR B 37 ? 0.9581 0.6031 1.0215 -0.2266 0.2163 0.0528 260 THR B O 2767 C CB . THR B 37 ? 0.9437 0.6437 1.0667 -0.2853 0.2201 0.0363 260 THR B CB 2768 O OG1 . THR B 37 ? 0.9300 0.7000 1.0861 -0.3036 0.1987 0.0268 260 THR B OG1 2769 C CG2 . THR B 37 ? 0.9963 0.6129 1.0985 -0.2884 0.2719 0.0541 260 THR B CG2 2770 N N . PRO B 38 ? 0.9547 0.5978 1.0152 -0.1829 0.2595 0.1125 261 PRO B N 2771 C CA . PRO B 38 ? 1.0012 0.5908 1.0179 -0.1530 0.2812 0.1269 261 PRO B CA 2772 C C . PRO B 38 ? 1.0465 0.5465 1.0354 -0.1783 0.2995 0.1022 261 PRO B C 2773 O O . PRO B 38 ? 0.9976 0.4531 0.9908 -0.2139 0.3191 0.0857 261 PRO B O 2774 C CB . PRO B 38 ? 1.0915 0.6660 1.0909 -0.1144 0.3213 0.1680 261 PRO B CB 2775 C CG . PRO B 38 ? 1.0341 0.6924 1.0778 -0.1139 0.3043 0.1781 261 PRO B CG 2776 C CD . PRO B 38 ? 0.9723 0.6474 1.0501 -0.1639 0.2757 0.1431 261 PRO B CD 2777 N N . GLY B 39 ? 0.9943 0.4721 0.9546 -0.1622 0.2935 0.0978 262 GLY B N 2778 C CA . GLY B 39 ? 1.1220 0.5201 1.0549 -0.1827 0.3078 0.0726 262 GLY B CA 2779 C C . GLY B 39 ? 1.1033 0.5148 1.0198 -0.1640 0.2834 0.0655 262 GLY B C 2780 O O . GLY B 39 ? 0.9974 0.4847 0.9333 -0.1533 0.2486 0.0673 262 GLY B O 2781 N N . THR B 40 ? 1.2598 0.5945 1.1375 -0.1607 0.3033 0.0573 263 THR B N 2782 C CA . THR B 40 ? 1.2486 0.5927 1.1073 -0.1397 0.2824 0.0527 263 THR B CA 2783 C C . THR B 40 ? 1.1211 0.5443 1.0184 -0.1579 0.2342 0.0267 263 THR B C 2784 O O . THR B 40 ? 1.1316 0.5749 1.0606 -0.1952 0.2200 -0.0042 263 THR B O 2785 C CB . THR B 40 ? 1.3959 0.6481 1.2169 -0.1471 0.3045 0.0339 263 THR B CB 2786 O OG1 . THR B 40 ? 1.5376 0.7000 1.3097 -0.1264 0.3550 0.0597 263 THR B OG1 2787 C CG2 . THR B 40 ? 1.3804 0.6485 1.1811 -0.1190 0.2821 0.0339 263 THR B CG2 2788 N N . ILE B 41 ? 1.0118 0.4811 0.9013 -0.1300 0.2116 0.0395 264 ILE B N 2789 C CA . ILE B 41 ? 0.9319 0.4649 0.8465 -0.1413 0.1712 0.0196 264 ILE B CA 2790 C C . ILE B 41 ? 0.9259 0.4644 0.8156 -0.1179 0.1572 0.0219 264 ILE B C 2791 O O . ILE B 41 ? 0.9503 0.4777 0.8076 -0.0861 0.1722 0.0484 264 ILE B O 2792 C CB . ILE B 41 ? 0.9139 0.5176 0.8518 -0.1383 0.1554 0.0352 264 ILE B CB 2793 C CG1 . ILE B 41 ? 0.9493 0.6008 0.9069 -0.1543 0.1195 0.0109 264 ILE B CG1 2794 C CG2 . ILE B 41 ? 0.7753 0.4096 0.6914 -0.1032 0.1617 0.0687 264 ILE B CG2 2795 C CD1 . ILE B 41 ? 0.9716 0.6803 0.9481 -0.1560 0.1059 0.0213 264 ILE B CD1 2796 N N . GLN B 42 ? 0.8169 0.3769 0.7185 -0.1304 0.1295 -0.0054 265 GLN B N 2797 C CA . GLN B 42 ? 0.8955 0.4687 0.7763 -0.1092 0.1136 -0.0026 265 GLN B CA 2798 C C . GLN B 42 ? 0.8280 0.4534 0.7241 -0.1169 0.0819 -0.0174 265 GLN B C 2799 O O . GLN B 42 ? 0.8339 0.4703 0.7515 -0.1368 0.0699 -0.0439 265 GLN B O 2800 C CB . GLN B 42 ? 1.0567 0.5775 0.9199 -0.1063 0.1205 -0.0202 265 GLN B CB 2801 C CG . GLN B 42 ? 1.2494 0.7743 1.0805 -0.0740 0.1143 -0.0042 265 GLN B CG 2802 C CD . GLN B 42 ? 1.4436 0.9684 1.2771 -0.0755 0.0940 -0.0315 265 GLN B CD 2803 O OE1 . GLN B 42 ? 1.4958 1.0142 1.3525 -0.0991 0.0885 -0.0647 265 GLN B OE1 2804 N NE2 . GLN B 42 ? 1.5121 1.0534 1.3218 -0.0493 0.0829 -0.0187 265 GLN B NE2 2805 N N . ILE B 43 ? 0.7632 0.4215 0.6425 -0.1002 0.0713 -0.0005 266 ILE B N 2806 C CA . ILE B 43 ? 0.7290 0.4229 0.6105 -0.1056 0.0471 -0.0112 266 ILE B CA 2807 C C . ILE B 43 ? 0.7668 0.4574 0.6286 -0.0913 0.0352 -0.0177 266 ILE B C 2808 O O . ILE B 43 ? 0.7887 0.4793 0.6280 -0.0735 0.0413 -0.0001 266 ILE B O 2809 C CB . ILE B 43 ? 0.6143 0.3503 0.4905 -0.1063 0.0456 0.0089 266 ILE B CB 2810 C CG1 . ILE B 43 ? 0.6499 0.3973 0.5498 -0.1195 0.0523 0.0126 266 ILE B CG1 2811 C CG2 . ILE B 43 ? 0.6882 0.4426 0.5523 -0.1110 0.0268 -0.0010 266 ILE B CG2 2812 C CD1 . ILE B 43 ? 0.8118 0.5487 0.7151 -0.1105 0.0770 0.0332 266 ILE B CD1 2813 N N . THR B 44 ? 0.6776 0.3715 0.5460 -0.0957 0.0187 -0.0425 267 THR B N 2814 C CA . THR B 44 ? 0.6995 0.3948 0.5522 -0.0806 0.0060 -0.0502 267 THR B CA 2815 C C . THR B 44 ? 0.7086 0.4257 0.5505 -0.0806 -0.0086 -0.0554 267 THR B C 2816 O O . THR B 44 ? 0.7611 0.4856 0.6123 -0.0888 -0.0131 -0.0691 267 THR B O 2817 C CB . THR B 44 ? 0.6974 0.3738 0.5637 -0.0794 0.0038 -0.0788 267 THR B CB 2818 O OG1 . THR B 44 ? 0.7864 0.4260 0.6530 -0.0813 0.0227 -0.0743 267 THR B OG1 2819 C CG2 . THR B 44 ? 0.7917 0.4753 0.6446 -0.0595 -0.0102 -0.0863 267 THR B CG2 2820 N N . TRP B 45 ? 0.6611 0.3869 0.4779 -0.0706 -0.0136 -0.0438 268 TRP B N 2821 C CA . TRP B 45 ? 0.6645 0.3956 0.4606 -0.0696 -0.0220 -0.0484 268 TRP B CA 2822 C C . TRP B 45 ? 0.6964 0.4237 0.4876 -0.0496 -0.0330 -0.0658 268 TRP B C 2823 O O . TRP B 45 ? 0.6677 0.3948 0.4613 -0.0374 -0.0358 -0.0654 268 TRP B O 2824 C CB . TRP B 45 ? 0.5997 0.3440 0.3673 -0.0770 -0.0171 -0.0273 268 TRP B CB 2825 C CG . TRP B 45 ? 0.6327 0.3913 0.4019 -0.0965 -0.0069 -0.0149 268 TRP B CG 2826 C CD1 . TRP B 45 ? 0.6385 0.4204 0.4167 -0.1003 0.0036 0.0020 268 TRP B CD1 2827 C CD2 . TRP B 45 ? 0.5916 0.3444 0.3502 -0.1108 -0.0052 -0.0184 268 TRP B CD2 2828 N NE1 . TRP B 45 ? 0.6080 0.4066 0.3881 -0.1177 0.0106 0.0079 268 TRP B NE1 2829 C CE2 . TRP B 45 ? 0.6082 0.3862 0.3760 -0.1261 0.0048 -0.0048 268 TRP B CE2 2830 C CE3 . TRP B 45 ? 0.5654 0.2937 0.3025 -0.1078 -0.0094 -0.0311 268 TRP B CE3 2831 C CZ2 . TRP B 45 ? 0.6412 0.4204 0.4017 -0.1423 0.0086 -0.0054 268 TRP B CZ2 2832 C CZ3 . TRP B 45 ? 0.6221 0.3434 0.3444 -0.1218 -0.0039 -0.0299 268 TRP B CZ3 2833 C CH2 . TRP B 45 ? 0.6401 0.3866 0.3761 -0.1407 0.0040 -0.0180 268 TRP B CH2 2834 N N . LEU B 46 ? 0.7033 0.4300 0.4844 -0.0420 -0.0382 -0.0805 269 LEU B N 2835 C CA . LEU B 46 ? 0.7220 0.4534 0.4950 -0.0171 -0.0469 -0.0963 269 LEU B CA 2836 C C . LEU B 46 ? 0.8049 0.5221 0.5348 -0.0079 -0.0446 -0.0872 269 LEU B C 2837 O O . LEU B 46 ? 0.7532 0.4553 0.4614 -0.0181 -0.0374 -0.0815 269 LEU B O 2838 C CB . LEU B 46 ? 0.6393 0.3895 0.4326 -0.0078 -0.0515 -0.1259 269 LEU B CB 2839 C CG . LEU B 46 ? 0.6846 0.4452 0.5172 -0.0232 -0.0496 -0.1428 269 LEU B CG 2840 C CD1 . LEU B 46 ? 0.7476 0.5438 0.5941 -0.0150 -0.0541 -0.1766 269 LEU B CD1 2841 C CD2 . LEU B 46 ? 0.7685 0.5199 0.6127 -0.0197 -0.0498 -0.1430 269 LEU B CD2 2842 N N . GLU B 47 ? 0.7430 0.4606 0.4574 0.0114 -0.0488 -0.0861 270 GLU B N 2843 C CA . GLU B 47 ? 0.7460 0.4419 0.4141 0.0233 -0.0427 -0.0795 270 GLU B CA 2844 C C . GLU B 47 ? 0.8546 0.5616 0.5191 0.0619 -0.0482 -0.0992 270 GLU B C 2845 O O . GLU B 47 ? 0.7623 0.4939 0.4482 0.0801 -0.0582 -0.1084 270 GLU B O 2846 C CB . GLU B 47 ? 0.7554 0.4487 0.4032 0.0150 -0.0406 -0.0604 270 GLU B CB 2847 C CG . GLU B 47 ? 0.9107 0.5805 0.5127 0.0318 -0.0337 -0.0565 270 GLU B CG 2848 C CD . GLU B 47 ? 1.0551 0.7293 0.6357 0.0155 -0.0302 -0.0384 270 GLU B CD 2849 O OE1 . GLU B 47 ? 1.0446 0.7166 0.6099 -0.0194 -0.0197 -0.0266 270 GLU B OE1 2850 O OE2 . GLU B 47 ? 1.1866 0.8743 0.7657 0.0377 -0.0379 -0.0374 270 GLU B OE2 2851 N N . ASP B 48 ? 0.8666 0.5600 0.5016 0.0778 -0.0408 -0.1063 271 ASP B N 2852 C CA . ASP B 48 ? 0.9877 0.7065 0.6176 0.1206 -0.0441 -0.1272 271 ASP B CA 2853 C C . ASP B 48 ? 0.9623 0.7363 0.6495 0.1248 -0.0585 -0.1525 271 ASP B C 2854 O O . ASP B 48 ? 0.7997 0.6046 0.4961 0.1543 -0.0649 -0.1667 271 ASP B O 2855 C CB . ASP B 48 ? 1.0734 0.7727 0.6623 0.1512 -0.0377 -0.1180 271 ASP B CB 2856 C CG . ASP B 48 ? 1.0822 0.7186 0.6012 0.1529 -0.0167 -0.1004 271 ASP B CG 2857 O OD1 . ASP B 48 ? 0.9858 0.6050 0.4836 0.1512 -0.0090 -0.1030 271 ASP B OD1 2858 O OD2 . ASP B 48 ? 1.1066 0.7084 0.5884 0.1551 -0.0064 -0.0846 271 ASP B OD2 2859 N N . GLY B 49 ? 0.8883 0.6726 0.6121 0.0937 -0.0614 -0.1586 272 GLY B N 2860 C CA . GLY B 49 ? 0.9369 0.7628 0.7089 0.0891 -0.0692 -0.1858 272 GLY B CA 2861 C C . GLY B 49 ? 0.9266 0.7432 0.7260 0.0731 -0.0733 -0.1804 272 GLY B C 2862 O O . GLY B 49 ? 0.8409 0.6711 0.6750 0.0572 -0.0738 -0.1992 272 GLY B O 2863 N N . GLN B 50 ? 0.9724 0.7648 0.7510 0.0772 -0.0740 -0.1552 273 GLN B N 2864 C CA . GLN B 50 ? 0.9747 0.7616 0.7686 0.0715 -0.0783 -0.1471 273 GLN B CA 2865 C C . GLN B 50 ? 0.8950 0.6568 0.6903 0.0412 -0.0702 -0.1254 273 GLN B C 2866 O O . GLN B 50 ? 0.7922 0.5404 0.5655 0.0276 -0.0637 -0.1052 273 GLN B O 2867 C CB . GLN B 50 ? 1.1604 0.9459 0.9287 0.0924 -0.0836 -0.1299 273 GLN B CB 2868 C CG . GLN B 50 ? 1.3871 1.1904 1.1395 0.1272 -0.0865 -0.1418 273 GLN B CG 2869 C CD . GLN B 50 ? 1.5485 1.3324 1.2594 0.1370 -0.0830 -0.1167 273 GLN B CD 2870 O OE1 . GLN B 50 ? 1.5601 1.3131 1.2404 0.1147 -0.0722 -0.0965 273 GLN B OE1 2871 N NE2 . GLN B 50 ? 1.6103 1.4142 1.3192 0.1683 -0.0909 -0.1195 273 GLN B NE2 2872 N N . VAL B 51 ? 0.7742 0.5290 0.5912 0.0324 -0.0680 -0.1300 274 VAL B N 2873 C CA . VAL B 51 ? 0.8224 0.5557 0.6353 0.0134 -0.0575 -0.1067 274 VAL B CA 2874 C C . VAL B 51 ? 0.8298 0.5674 0.6125 0.0192 -0.0587 -0.0767 274 VAL B C 2875 O O . VAL B 51 ? 0.8730 0.6203 0.6451 0.0389 -0.0674 -0.0735 274 VAL B O 2876 C CB . VAL B 51 ? 0.7298 0.4425 0.5580 0.0108 -0.0506 -0.1148 274 VAL B CB 2877 C CG1 . VAL B 51 ? 0.7439 0.4353 0.5581 0.0020 -0.0365 -0.0863 274 VAL B CG1 2878 C CG2 . VAL B 51 ? 0.7599 0.4724 0.6170 -0.0051 -0.0456 -0.1477 274 VAL B CG2 2879 N N . MET B 52 ? 0.7387 0.4768 0.5081 0.0010 -0.0499 -0.0570 275 MET B N 2880 C CA . MET B 52 ? 0.7566 0.5120 0.4974 -0.0007 -0.0478 -0.0319 275 MET B CA 2881 C C . MET B 52 ? 0.9223 0.6829 0.6615 0.0028 -0.0396 -0.0153 275 MET B C 2882 O O . MET B 52 ? 0.8741 0.6166 0.6298 -0.0040 -0.0295 -0.0173 275 MET B O 2883 C CB . MET B 52 ? 0.7033 0.4633 0.4276 -0.0242 -0.0396 -0.0229 275 MET B CB 2884 C CG . MET B 52 ? 0.6338 0.3759 0.3482 -0.0242 -0.0419 -0.0368 275 MET B CG 2885 S SD . MET B 52 ? 0.7446 0.4781 0.4317 -0.0538 -0.0283 -0.0272 275 MET B SD 2886 C CE . MET B 52 ? 0.8535 0.6076 0.5029 -0.0660 -0.0228 -0.0101 275 MET B CE 2887 N N . ASP B 53 ? 1.0089 0.7950 0.7235 0.0158 -0.0419 0.0018 276 ASP B N 2888 C CA . ASP B 53 ? 1.0797 0.8733 0.7818 0.0291 -0.0318 0.0199 276 ASP B CA 2889 C C . ASP B 53 ? 0.9319 0.7443 0.6316 0.0121 -0.0157 0.0346 276 ASP B C 2890 O O . ASP B 53 ? 0.9008 0.7419 0.5948 -0.0097 -0.0144 0.0378 276 ASP B O 2891 C CB . ASP B 53 ? 1.2676 1.0963 0.9390 0.0522 -0.0389 0.0352 276 ASP B CB 2892 C CG . ASP B 53 ? 1.4548 1.3338 1.1052 0.0361 -0.0419 0.0447 276 ASP B CG 2893 O OD1 . ASP B 53 ? 1.5334 1.4015 1.1906 0.0147 -0.0445 0.0332 276 ASP B OD1 2894 O OD2 . ASP B 53 ? 1.5222 1.4520 1.1439 0.0453 -0.0395 0.0627 276 ASP B OD2 2895 N N . VAL B 54 ? 0.7183 0.6936 0.7361 0.0401 0.0112 -0.0800 277 VAL B N 2896 C CA . VAL B 54 ? 0.7086 0.6758 0.7326 0.0341 0.0089 -0.0695 277 VAL B CA 2897 C C . VAL B 54 ? 0.5871 0.5572 0.6123 0.0335 0.0115 -0.0625 277 VAL B C 2898 O O . VAL B 54 ? 0.5953 0.5602 0.6209 0.0299 0.0096 -0.0531 277 VAL B O 2899 C CB . VAL B 54 ? 0.8589 0.8161 0.8991 0.0336 0.0045 -0.0722 277 VAL B CB 2900 C CG1 . VAL B 54 ? 0.8694 0.8307 0.9240 0.0391 0.0028 -0.0795 277 VAL B CG1 2901 C CG2 . VAL B 54 ? 0.9170 0.8598 0.9556 0.0277 0.0026 -0.0606 277 VAL B CG2 2902 N N . ASP B 55 ? 0.6488 0.6276 0.6759 0.0370 0.0165 -0.0692 278 ASP B N 2903 C CA . ASP B 55 ? 0.6353 0.6189 0.6695 0.0369 0.0204 -0.0681 278 ASP B CA 2904 C C . ASP B 55 ? 0.5735 0.5589 0.5960 0.0331 0.0255 -0.0583 278 ASP B C 2905 O O . ASP B 55 ? 0.6650 0.6528 0.6971 0.0328 0.0258 -0.0551 278 ASP B O 2906 C CB . ASP B 55 ? 0.7651 0.7577 0.8034 0.0392 0.0283 -0.0804 278 ASP B CB 2907 C CG . ASP B 55 ? 0.8737 0.8684 0.9332 0.0430 0.0220 -0.0918 278 ASP B CG 2908 O OD1 . ASP B 55 ? 0.9032 0.9065 0.9745 0.0439 0.0271 -0.1036 278 ASP B OD1 2909 O OD2 . ASP B 55 ? 0.9124 0.8997 0.9780 0.0444 0.0128 -0.0902 278 ASP B OD2 2910 N N . LEU B 56 ? 0.5686 0.5531 0.5719 0.0314 0.0283 -0.0551 279 LEU B N 2911 C CA . LEU B 56 ? 0.5417 0.5279 0.5334 0.0279 0.0328 -0.0465 279 LEU B CA 2912 C C . LEU B 56 ? 0.6136 0.5984 0.6102 0.0236 0.0258 -0.0370 279 LEU B C 2913 O O . LEU B 56 ? 0.5111 0.5006 0.5057 0.0206 0.0283 -0.0300 279 LEU B O 2914 C CB . LEU B 56 ? 0.5271 0.5091 0.4936 0.0290 0.0355 -0.0475 279 LEU B CB 2915 C CG . LEU B 56 ? 0.6496 0.6297 0.6000 0.0315 0.0470 -0.0533 279 LEU B CG 2916 C CD1 . LEU B 56 ? 0.7755 0.7612 0.7433 0.0331 0.0512 -0.0634 279 LEU B CD1 2917 C CD2 . LEU B 56 ? 0.6960 0.6667 0.6193 0.0365 0.0438 -0.0572 279 LEU B CD2 2918 N N . SER B 57 ? 0.5943 0.5720 0.5974 0.0227 0.0181 -0.0372 280 SER B N 2919 C CA . SER B 57 ? 0.5151 0.4885 0.5200 0.0172 0.0132 -0.0291 280 SER B CA 2920 C C . SER B 57 ? 0.5966 0.5598 0.6111 0.0181 0.0083 -0.0265 280 SER B C 2921 O O . SER B 57 ? 0.5945 0.5529 0.6161 0.0230 0.0064 -0.0324 280 SER B O 2922 C CB . SER B 57 ? 0.4598 0.4287 0.4581 0.0130 0.0101 -0.0323 280 SER B CB 2923 O OG . SER B 57 ? 0.5718 0.5344 0.5739 0.0160 0.0085 -0.0417 280 SER B OG 2924 N N . THR B 58 ? 0.5070 0.4655 0.5199 0.0137 0.0056 -0.0180 281 THR B N 2925 C CA . THR B 58 ? 0.6156 0.5571 0.6287 0.0145 0.0003 -0.0139 281 THR B CA 2926 C C . THR B 58 ? 0.6191 0.5481 0.6233 0.0050 0.0007 -0.0094 281 THR B C 2927 O O . THR B 58 ? 0.6115 0.5500 0.6136 -0.0017 0.0030 -0.0078 281 THR B O 2928 C CB . THR B 58 ? 0.7323 0.6763 0.7494 0.0196 -0.0034 -0.0090 281 THR B CB 2929 O OG1 . THR B 58 ? 0.7514 0.7047 0.7657 0.0140 -0.0016 -0.0018 281 THR B OG1 2930 C CG2 . THR B 58 ? 0.6636 0.6220 0.6939 0.0273 -0.0012 -0.0171 281 THR B CG2 2931 N N . ALA B 59 ? 0.5835 0.4899 0.5828 0.0038 -0.0010 -0.0084 282 ALA B N 2932 C CA . ALA B 59 ? 0.6176 0.5081 0.6080 -0.0070 0.0027 -0.0058 282 ALA B CA 2933 C C . ALA B 59 ? 0.7574 0.6221 0.7332 -0.0069 -0.0001 0.0041 282 ALA B C 2934 O O . ALA B 59 ? 0.6633 0.5152 0.6366 0.0027 -0.0065 0.0056 282 ALA B O 2935 C CB . ALA B 59 ? 0.6187 0.5012 0.6142 -0.0107 0.0071 -0.0160 282 ALA B CB 2936 N N . SER B 60 ? 0.7500 0.6055 0.7147 -0.0173 0.0041 0.0095 283 SER B N 2937 C CA . SER B 60 ? 0.7523 0.5786 0.6957 -0.0178 0.0024 0.0196 283 SER B CA 2938 C C . SER B 60 ? 0.7414 0.5484 0.6729 -0.0340 0.0132 0.0197 283 SER B C 2939 O O . SER B 60 ? 0.6663 0.4911 0.6062 -0.0445 0.0185 0.0153 283 SER B O 2940 C CB . SER B 60 ? 0.8340 0.6728 0.7750 -0.0118 -0.0044 0.0271 283 SER B CB 2941 O OG . SER B 60 ? 0.9727 0.8351 0.9310 0.0005 -0.0108 0.0231 283 SER B OG 2942 N N . THR B 61 ? 0.8386 0.6075 0.7508 -0.0364 0.0170 0.0233 284 THR B N 2943 C CA . THR B 61 ? 0.8756 0.6201 0.7736 -0.0533 0.0306 0.0228 284 THR B CA 2944 C C . THR B 61 ? 0.9128 0.6237 0.7762 -0.0543 0.0302 0.0368 284 THR B C 2945 O O . THR B 61 ? 0.8572 0.5436 0.7015 -0.0413 0.0207 0.0454 284 THR B O 2946 C CB . THR B 61 ? 0.8702 0.5926 0.7717 -0.0591 0.0406 0.0139 284 THR B CB 2947 O OG1 . THR B 61 ? 0.6968 0.4513 0.6295 -0.0595 0.0418 -0.0016 284 THR B OG1 2948 C CG2 . THR B 61 ? 0.9019 0.5920 0.7857 -0.0777 0.0577 0.0128 284 THR B CG2 2949 N N . THR B 62 ? 0.9104 0.6206 0.7659 -0.0690 0.0395 0.0374 285 THR B N 2950 C CA . THR B 62 ? 1.0013 0.6772 0.8200 -0.0725 0.0419 0.0497 285 THR B CA 2951 C C . THR B 62 ? 1.0763 0.7240 0.8815 -0.0948 0.0628 0.0448 285 THR B C 2952 O O . THR B 62 ? 0.9379 0.6091 0.7691 -0.1089 0.0727 0.0304 285 THR B O 2953 C CB . THR B 62 ? 1.0034 0.7074 0.8253 -0.0701 0.0343 0.0547 285 THR B CB 2954 O OG1 . THR B 62 ? 0.9471 0.6760 0.7835 -0.0499 0.0173 0.0571 285 THR B OG1 2955 C CG2 . THR B 62 ? 1.1600 0.8276 0.9412 -0.0735 0.0371 0.0664 285 THR B CG2 2956 N N . GLN B 63 ? 1.2858 0.8806 1.0496 -0.0978 0.0698 0.0549 286 GLN B N 2957 C CA . GLN B 63 ? 1.3964 0.9609 1.1422 -0.1211 0.0927 0.0508 286 GLN B CA 2958 C C . GLN B 63 ? 1.5180 1.0570 1.2227 -0.1245 0.0939 0.0643 286 GLN B C 2959 O O . GLN B 63 ? 1.5626 1.0744 1.2332 -0.1079 0.0808 0.0795 286 GLN B O 2960 C CB . GLN B 63 ? 1.4598 0.9768 1.1893 -0.1271 0.1070 0.0489 286 GLN B CB 2961 C CG . GLN B 63 ? 1.5110 0.9899 1.2175 -0.1526 0.1342 0.0443 286 GLN B CG 2962 C CD . GLN B 63 ? 1.5474 0.9885 1.2519 -0.1620 0.1529 0.0363 286 GLN B CD 2963 O OE1 . GLN B 63 ? 1.5951 0.9967 1.2778 -0.1827 0.1778 0.0324 286 GLN B OE1 2964 N NE2 . GLN B 63 ? 1.4873 0.9408 1.2159 -0.1475 0.1423 0.0326 286 GLN B NE2 2965 N N . GLU B 64 ? 1.5663 1.1154 1.2757 -0.1452 0.1086 0.0565 287 GLU B N 2966 C CA . GLU B 64 ? 1.6825 1.2095 1.3541 -0.1515 0.1126 0.0671 287 GLU B CA 2967 C C . GLU B 64 ? 1.5994 1.1018 1.2612 -0.1812 0.1412 0.0562 287 GLU B C 2968 O O . GLU B 64 ? 1.4964 1.0356 1.1979 -0.1976 0.1501 0.0374 287 GLU B O 2969 C CB . GLU B 64 ? 1.8027 1.3829 1.4988 -0.1443 0.0968 0.0674 287 GLU B CB 2970 C CG . GLU B 64 ? 1.9264 1.5246 1.6274 -0.1155 0.0711 0.0776 287 GLU B CG 2971 C CD . GLU B 64 ? 1.9829 1.6465 1.7326 -0.1095 0.0587 0.0700 287 GLU B CD 2972 O OE1 . GLU B 64 ? 2.0015 1.6963 1.7832 -0.1258 0.0675 0.0563 287 GLU B OE1 2973 O OE2 . GLU B 64 ? 1.9943 1.6764 1.7505 -0.0884 0.0403 0.0762 287 GLU B OE2 2974 N N . GLY B 65 ? 1.5998 1.0371 1.2077 -0.1879 0.1558 0.0667 288 GLY B N 2975 C CA . GLY B 65 ? 1.6085 1.0132 1.2046 -0.2173 0.1875 0.0550 288 GLY B CA 2976 C C . GLY B 65 ? 1.5936 0.9931 1.2182 -0.2235 0.2000 0.0397 288 GLY B C 2977 O O . GLY B 65 ? 1.6155 0.9950 1.2318 -0.2068 0.1906 0.0482 288 GLY B O 2978 N N . GLU B 66 ? 1.5778 0.9976 1.2397 -0.2468 0.2199 0.0146 289 GLU B N 2979 C CA . GLU B 66 ? 1.6075 1.0233 1.3002 -0.2537 0.2338 -0.0043 289 GLU B CA 2980 C C . GLU B 66 ? 1.3714 0.8541 1.1290 -0.2448 0.2177 -0.0233 289 GLU B C 2981 O O . GLU B 66 ? 1.2929 0.7838 1.0858 -0.2511 0.2281 -0.0451 289 GLU B O 2982 C CB . GLU B 66 ? 1.8085 1.1917 1.4972 -0.2859 0.2703 -0.0237 289 GLU B CB 2983 C CG . GLU B 66 ? 1.9700 1.3288 1.6761 -0.2928 0.2895 -0.0397 289 GLU B CG 2984 C CD . GLU B 66 ? 2.1007 1.4140 1.7696 -0.2740 0.2821 -0.0166 289 GLU B CD 2985 O OE1 . GLU B 66 ? 2.1105 1.4290 1.8093 -0.2672 0.2822 -0.0269 289 GLU B OE1 2986 O OE2 . GLU B 66 ? 2.1768 1.4499 1.7877 -0.2650 0.2747 0.0105 289 GLU B OE2 2987 N N . LEU B 67 ? 1.2291 0.7579 1.0012 -0.2295 0.1926 -0.0157 290 LEU B N 2988 C CA . LEU B 67 ? 1.1033 0.6911 0.9287 -0.2197 0.1763 -0.0310 290 LEU B CA 2989 C C . LEU B 67 ? 1.0146 0.6220 0.8405 -0.1912 0.1496 -0.0138 290 LEU B C 2990 O O . LEU B 67 ? 0.9714 0.5754 0.7712 -0.1792 0.1362 0.0065 290 LEU B O 2991 C CB . LEU B 67 ? 1.0549 0.6864 0.9070 -0.2305 0.1728 -0.0439 290 LEU B CB 2992 C CG . LEU B 67 ? 1.0486 0.6788 0.9218 -0.2586 0.1962 -0.0722 290 LEU B CG 2993 C CD1 . LEU B 67 ? 0.9910 0.6674 0.8915 -0.2663 0.1874 -0.0837 290 LEU B CD1 2994 C CD2 . LEU B 67 ? 0.9757 0.6122 0.8865 -0.2606 0.2036 -0.0981 290 LEU B CD2 2995 N N . ALA B 68 ? 0.9009 0.5292 0.7580 -0.1806 0.1424 -0.0243 291 ALA B N 2996 C CA . ALA B 68 ? 0.8416 0.4930 0.7054 -0.1558 0.1193 -0.0128 291 ALA B CA 2997 C C . ALA B 68 ? 0.7989 0.5058 0.6965 -0.1503 0.1048 -0.0210 291 ALA B C 2998 O O . ALA B 68 ? 0.7879 0.5179 0.7146 -0.1613 0.1100 -0.0418 291 ALA B O 2999 C CB . ALA B 68 ? 0.7737 0.4156 0.6496 -0.1466 0.1194 -0.0186 291 ALA B CB 3000 N N . SER B 69 ? 0.7606 0.4867 0.6541 -0.1327 0.0864 -0.0060 292 SER B N 3001 C CA . SER B 69 ? 0.6302 0.4044 0.5517 -0.1255 0.0729 -0.0113 292 SER B CA 3002 C C . SER B 69 ? 0.7604 0.5480 0.6875 -0.1040 0.0582 -0.0041 292 SER B C 3003 O O . SER B 69 ? 0.6831 0.4504 0.5900 -0.0925 0.0527 0.0100 292 SER B O 3004 C CB . SER B 69 ? 0.7056 0.4959 0.6214 -0.1289 0.0681 -0.0027 292 SER B CB 3005 O OG . SER B 69 ? 0.7889 0.5762 0.7078 -0.1504 0.0813 -0.0142 292 SER B OG 3006 N N . THR B 70 ? 0.6188 0.4389 0.5726 -0.0985 0.0516 -0.0155 293 THR B N 3007 C CA . THR B 70 ? 0.6232 0.4565 0.5834 -0.0805 0.0405 -0.0118 293 THR B CA 3008 C C . THR B 70 ? 0.5858 0.4567 0.5623 -0.0745 0.0310 -0.0142 293 THR B C 3009 O O . THR B 70 ? 0.5516 0.4399 0.5419 -0.0829 0.0317 -0.0259 293 THR B O 3010 C CB . THR B 70 ? 0.6307 0.4575 0.6028 -0.0779 0.0442 -0.0248 293 THR B CB 3011 O OG1 . THR B 70 ? 0.6527 0.4420 0.6105 -0.0849 0.0551 -0.0233 293 THR B OG1 3012 C CG2 . THR B 70 ? 0.6443 0.4834 0.6214 -0.0601 0.0337 -0.0212 293 THR B CG2 3013 N N . GLN B 71 ? 0.4901 0.3719 0.4650 -0.0602 0.0222 -0.0045 294 GLN B N 3014 C CA . GLN B 71 ? 0.4839 0.3967 0.4714 -0.0538 0.0154 -0.0060 294 GLN B CA 3015 C C . GLN B 71 ? 0.5207 0.4388 0.5112 -0.0395 0.0111 -0.0060 294 GLN B C 3016 O O . GLN B 71 ? 0.5470 0.4493 0.5310 -0.0325 0.0102 -0.0012 294 GLN B O 3017 C CB . GLN B 71 ? 0.4903 0.4162 0.4763 -0.0534 0.0116 0.0048 294 GLN B CB 3018 C CG . GLN B 71 ? 0.5719 0.4885 0.5485 -0.0418 0.0075 0.0164 294 GLN B CG 3019 C CD . GLN B 71 ? 0.6482 0.5814 0.6279 -0.0399 0.0035 0.0240 294 GLN B CD 3020 O OE1 . GLN B 71 ? 0.6563 0.5938 0.6356 -0.0507 0.0056 0.0249 294 GLN B OE1 3021 N NE2 . GLN B 71 ? 0.6756 0.6199 0.6617 -0.0266 -0.0017 0.0274 294 GLN B NE2 3022 N N . SER B 72 ? 0.4550 0.3931 0.4537 -0.0352 0.0084 -0.0125 295 SER B N 3023 C CA . SER B 72 ? 0.4350 0.3794 0.4350 -0.0230 0.0063 -0.0133 295 SER B CA 3024 C C . SER B 72 ? 0.4829 0.4481 0.4848 -0.0193 0.0045 -0.0104 295 SER B C 3025 O O . SER B 72 ? 0.4887 0.4638 0.4919 -0.0241 0.0029 -0.0142 295 SER B O 3026 C CB . SER B 72 ? 0.4852 0.4267 0.4885 -0.0207 0.0070 -0.0264 295 SER B CB 3027 O OG . SER B 72 ? 0.4921 0.4409 0.4949 -0.0098 0.0058 -0.0279 295 SER B OG 3028 N N . GLU B 73 ? 0.4915 0.4620 0.4946 -0.0108 0.0049 -0.0051 296 GLU B N 3029 C CA . GLU B 73 ? 0.4365 0.4240 0.4419 -0.0079 0.0063 -0.0026 296 GLU B CA 3030 C C . GLU B 73 ? 0.4382 0.4276 0.4394 -0.0005 0.0098 -0.0083 296 GLU B C 3031 O O . GLU B 73 ? 0.3955 0.3803 0.3995 0.0054 0.0114 -0.0109 296 GLU B O 3032 C CB . GLU B 73 ? 0.4636 0.4578 0.4770 -0.0045 0.0065 0.0047 296 GLU B CB 3033 C CG . GLU B 73 ? 0.4998 0.5125 0.5198 -0.0033 0.0101 0.0070 296 GLU B CG 3034 C CD . GLU B 73 ? 0.6606 0.6816 0.6941 0.0030 0.0111 0.0094 296 GLU B CD 3035 O OE1 . GLU B 73 ? 0.6778 0.6933 0.7153 0.0106 0.0117 0.0047 296 GLU B OE1 3036 O OE2 . GLU B 73 ? 0.5487 0.5830 0.5914 0.0010 0.0104 0.0137 296 GLU B OE2 3037 N N . LEU B 74 ? 0.4155 0.4101 0.4082 -0.0008 0.0106 -0.0110 297 LEU B N 3038 C CA . LEU B 74 ? 0.3768 0.3702 0.3588 0.0058 0.0154 -0.0154 297 LEU B CA 3039 C C . LEU B 74 ? 0.4383 0.4401 0.4186 0.0064 0.0223 -0.0100 297 LEU B C 3040 O O . LEU B 74 ? 0.3963 0.4043 0.3769 0.0022 0.0202 -0.0054 297 LEU B O 3041 C CB . LEU B 74 ? 0.3992 0.3864 0.3668 0.0072 0.0107 -0.0235 297 LEU B CB 3042 C CG . LEU B 74 ? 0.4279 0.4097 0.3762 0.0147 0.0149 -0.0279 297 LEU B CG 3043 C CD1 . LEU B 74 ? 0.4535 0.4335 0.4064 0.0192 0.0203 -0.0322 297 LEU B CD1 3044 C CD2 . LEU B 74 ? 0.5044 0.4787 0.4375 0.0184 0.0063 -0.0374 297 LEU B CD2 3045 N N . THR B 75 ? 0.4309 0.4330 0.4115 0.0108 0.0314 -0.0121 298 THR B N 3046 C CA . THR B 75 ? 0.4177 0.4260 0.3984 0.0104 0.0416 -0.0091 298 THR B CA 3047 C C . THR B 75 ? 0.4731 0.4707 0.4291 0.0127 0.0505 -0.0121 298 THR B C 3048 O O . THR B 75 ? 0.4887 0.4789 0.4360 0.0163 0.0535 -0.0190 298 THR B O 3049 C CB . THR B 75 ? 0.5228 0.5401 0.5261 0.0126 0.0480 -0.0116 298 THR B CB 3050 O OG1 . THR B 75 ? 0.5530 0.5763 0.5728 0.0120 0.0385 -0.0076 298 THR B OG1 3051 C CG2 . THR B 75 ? 0.4710 0.4953 0.4785 0.0115 0.0611 -0.0111 298 THR B CG2 3052 N N . LEU B 76 ? 0.4350 0.4303 0.3782 0.0108 0.0548 -0.0070 299 LEU B N 3053 C CA . LEU B 76 ? 0.4580 0.4364 0.3689 0.0133 0.0627 -0.0081 299 LEU B CA 3054 C C . LEU B 76 ? 0.4871 0.4653 0.3972 0.0102 0.0790 -0.0041 299 LEU B C 3055 O O . LEU B 76 ? 0.4593 0.4521 0.3923 0.0067 0.0791 0.0004 299 LEU B O 3056 C CB . LEU B 76 ? 0.5319 0.4997 0.4199 0.0153 0.0491 -0.0067 299 LEU B CB 3057 C CG . LEU B 76 ? 0.5371 0.5051 0.4281 0.0178 0.0333 -0.0135 299 LEU B CG 3058 C CD1 . LEU B 76 ? 0.5189 0.4799 0.3947 0.0193 0.0197 -0.0151 299 LEU B CD1 3059 C CD2 . LEU B 76 ? 0.5335 0.4917 0.4109 0.0243 0.0354 -0.0220 299 LEU B CD2 3060 N N . SER B 77 ? 0.4695 0.4305 0.3534 0.0111 0.0938 -0.0065 300 SER B N 3061 C CA . SER B 77 ? 0.5550 0.5104 0.4336 0.0070 0.1124 -0.0033 300 SER B CA 3062 C C . SER B 77 ? 0.5849 0.5280 0.4394 0.0071 0.1057 0.0062 300 SER B C 3063 O O . SER B 77 ? 0.5505 0.4822 0.3815 0.0118 0.0892 0.0073 300 SER B O 3064 C CB . SER B 77 ? 0.5908 0.5268 0.4438 0.0065 0.1328 -0.0095 300 SER B CB 3065 O OG . SER B 77 ? 0.5469 0.4565 0.3525 0.0115 0.1276 -0.0069 300 SER B OG 3066 N N . GLN B 78 ? 0.5387 0.4844 0.4017 0.0025 0.1177 0.0110 301 GLN B N 3067 C CA . GLN B 78 ? 0.4843 0.4168 0.3251 0.0025 0.1120 0.0197 301 GLN B CA 3068 C C . GLN B 78 ? 0.5744 0.4694 0.3580 0.0078 0.1131 0.0210 301 GLN B C 3069 O O . GLN B 78 ? 0.6009 0.4818 0.3589 0.0129 0.0951 0.0240 301 GLN B O 3070 C CB . GLN B 78 ? 0.5375 0.4762 0.3960 -0.0034 0.1301 0.0233 301 GLN B CB 3071 C CG . GLN B 78 ? 0.5745 0.4956 0.4078 -0.0037 0.1269 0.0325 301 GLN B CG 3072 C CD . GLN B 78 ? 0.5936 0.5210 0.4478 -0.0099 0.1476 0.0350 301 GLN B CD 3073 O OE1 . GLN B 78 ? 0.5284 0.4274 0.3522 -0.0121 0.1682 0.0376 301 GLN B OE1 3074 N NE2 . GLN B 78 ? 0.5182 0.4819 0.4239 -0.0124 0.1431 0.0335 301 GLN B NE2 3075 N N . LYS B 79 ? 0.6276 0.5060 0.3912 0.0070 0.1335 0.0168 302 LYS B N 3076 C CA . LYS B 79 ? 0.6879 0.5275 0.3922 0.0125 0.1371 0.0178 302 LYS B CA 3077 C C . LYS B 79 ? 0.6589 0.4945 0.3464 0.0227 0.1100 0.0143 302 LYS B C 3078 O O . LYS B 79 ? 0.7051 0.5154 0.3528 0.0301 0.0969 0.0172 302 LYS B O 3079 C CB . LYS B 79 ? 0.7031 0.5320 0.3963 0.0090 0.1624 0.0105 302 LYS B CB 3080 C CG . LYS B 79 ? 1.0124 0.7960 0.6383 0.0131 0.1728 0.0129 302 LYS B CG 3081 C CD . LYS B 79 ? 1.2113 0.9858 0.8290 0.0068 0.2014 0.0040 302 LYS B CD 3082 C CE . LYS B 79 ? 1.3796 1.1672 1.0054 0.0119 0.1915 -0.0070 302 LYS B CE 3083 N NZ . LYS B 79 ? 1.4665 1.2385 1.0724 0.0065 0.2181 -0.0165 302 LYS B NZ 3084 N N . HIS B 80 ? 0.6400 0.4999 0.3594 0.0235 0.1012 0.0064 303 HIS B N 3085 C CA . HIS B 80 ? 0.6995 0.5580 0.4095 0.0325 0.0786 -0.0002 303 HIS B CA 3086 C C . HIS B 80 ? 0.6382 0.5030 0.3563 0.0350 0.0550 0.0008 303 HIS B C 3087 O O . HIS B 80 ? 0.7349 0.5849 0.4279 0.0444 0.0372 -0.0053 303 HIS B O 3088 C CB . HIS B 80 ? 0.7739 0.6557 0.5183 0.0317 0.0769 -0.0088 303 HIS B CB 3089 C CG . HIS B 80 ? 0.8858 0.7587 0.6163 0.0323 0.0937 -0.0148 303 HIS B CG 3090 N ND1 . HIS B 80 ? 0.9663 0.8597 0.7307 0.0296 0.0977 -0.0224 303 HIS B ND1 3091 C CD2 . HIS B 80 ? 0.9877 0.8323 0.6732 0.0347 0.1079 -0.0152 303 HIS B CD2 3092 C CE1 . HIS B 80 ? 1.0311 0.9129 0.7765 0.0299 0.1131 -0.0287 303 HIS B CE1 3093 N NE2 . HIS B 80 ? 1.0294 0.8811 0.7256 0.0325 0.1207 -0.0241 303 HIS B NE2 3094 N N . TRP B 81 ? 0.5997 0.4875 0.3548 0.0269 0.0542 0.0060 304 TRP B N 3095 C CA . TRP B 81 ? 0.5617 0.4579 0.3283 0.0268 0.0337 0.0057 304 TRP B CA 3096 C C . TRP B 81 ? 0.6314 0.4982 0.3555 0.0327 0.0273 0.0089 304 TRP B C 3097 O O . TRP B 81 ? 0.6136 0.4728 0.3259 0.0394 0.0054 0.0019 304 TRP B O 3098 C CB . TRP B 81 ? 0.4728 0.3982 0.2841 0.0167 0.0373 0.0116 304 TRP B CB 3099 C CG . TRP B 81 ? 0.4752 0.4157 0.3071 0.0140 0.0172 0.0093 304 TRP B CG 3100 C CD1 . TRP B 81 ? 0.4650 0.4139 0.3086 0.0094 0.0135 0.0146 304 TRP B CD1 3101 C CD2 . TRP B 81 ? 0.4154 0.3654 0.2617 0.0146 -0.0003 -0.0010 304 TRP B CD2 3102 N NE1 . TRP B 81 ? 0.4252 0.3890 0.2892 0.0066 -0.0059 0.0077 304 TRP B NE1 3103 C CE2 . TRP B 81 ? 0.4876 0.4513 0.3533 0.0092 -0.0136 -0.0023 304 TRP B CE2 3104 C CE3 . TRP B 81 ? 0.4855 0.4338 0.3322 0.0184 -0.0050 -0.0106 304 TRP B CE3 3105 C CZ2 . TRP B 81 ? 0.4716 0.4460 0.3559 0.0066 -0.0297 -0.0140 304 TRP B CZ2 3106 C CZ3 . TRP B 81 ? 0.4674 0.4256 0.3327 0.0165 -0.0206 -0.0214 304 TRP B CZ3 3107 C CH2 . TRP B 81 ? 0.5215 0.4920 0.4051 0.0100 -0.0320 -0.0235 304 TRP B CH2 3108 N N . LEU B 82 ? 0.6030 0.4514 0.3039 0.0305 0.0468 0.0180 305 LEU B N 3109 C CA . LEU B 82 ? 0.7609 0.5765 0.4181 0.0353 0.0434 0.0237 305 LEU B CA 3110 C C . LEU B 82 ? 0.8361 0.6130 0.4348 0.0489 0.0348 0.0185 305 LEU B C 3111 O O . LEU B 82 ? 0.8317 0.5763 0.3876 0.0568 0.0243 0.0208 305 LEU B O 3112 C CB . LEU B 82 ? 0.7857 0.5906 0.4359 0.0276 0.0709 0.0345 305 LEU B CB 3113 C CG . LEU B 82 ? 0.7958 0.6343 0.4987 0.0168 0.0784 0.0393 305 LEU B CG 3114 C CD1 . LEU B 82 ? 0.8671 0.6928 0.5632 0.0100 0.1095 0.0459 305 LEU B CD1 3115 C CD2 . LEU B 82 ? 0.7756 0.6217 0.4890 0.0174 0.0558 0.0410 305 LEU B CD2 3116 N N . SER B 83 ? 0.7567 0.5362 0.3530 0.0527 0.0379 0.0109 306 SER B N 3117 C CA . SER B 83 ? 0.9470 0.6937 0.4912 0.0670 0.0287 0.0038 306 SER B CA 3118 C C . SER B 83 ? 0.9729 0.7253 0.5238 0.0779 -0.0037 -0.0099 306 SER B C 3119 O O . SER B 83 ? 0.8919 0.6215 0.4064 0.0925 -0.0171 -0.0199 306 SER B O 3120 C CB . SER B 83 ? 0.9025 0.6522 0.4448 0.0669 0.0447 -0.0010 306 SER B CB 3121 O OG . SER B 83 ? 0.8661 0.6502 0.4552 0.0662 0.0340 -0.0112 306 SER B OG 3122 N N . ASP B 84 ? 0.7910 0.5744 0.3902 0.0706 -0.0157 -0.0123 307 ASP B N 3123 C CA . ASP B 84 ? 0.7799 0.5692 0.3904 0.0781 -0.0451 -0.0278 307 ASP B CA 3124 C C . ASP B 84 ? 0.7989 0.6012 0.4264 0.0845 -0.0549 -0.0448 307 ASP B C 3125 O O . ASP B 84 ? 0.7398 0.5354 0.3611 0.0960 -0.0782 -0.0621 307 ASP B O 3126 C CB . ASP B 84 ? 0.8519 0.6024 0.4102 0.0924 -0.0632 -0.0311 307 ASP B CB 3127 C CG . ASP B 84 ? 1.0014 0.7565 0.5737 0.0866 -0.0739 -0.0270 307 ASP B CG 3128 O OD1 . ASP B 84 ? 0.9403 0.7320 0.5666 0.0764 -0.0805 -0.0323 307 ASP B OD1 3129 O OD2 . ASP B 84 ? 1.0631 0.7844 0.5918 0.0921 -0.0752 -0.0186 307 ASP B OD2 3130 N N . ARG B 85 ? 0.7770 0.5980 0.4282 0.0775 -0.0377 -0.0418 308 ARG B N 3131 C CA . ARG B 85 ? 0.7519 0.5868 0.4240 0.0821 -0.0446 -0.0570 308 ARG B CA 3132 C C . ARG B 85 ? 0.6731 0.5364 0.3953 0.0742 -0.0564 -0.0663 308 ARG B C 3133 O O . ARG B 85 ? 0.5900 0.4689 0.3373 0.0621 -0.0533 -0.0576 308 ARG B O 3134 C CB . ARG B 85 ? 0.8232 0.6679 0.5054 0.0768 -0.0233 -0.0511 308 ARG B CB 3135 C CG . ARG B 85 ? 1.0676 0.8839 0.7001 0.0850 -0.0115 -0.0476 308 ARG B CG 3136 C CD . ARG B 85 ? 1.1722 0.9997 0.8186 0.0760 0.0127 -0.0411 308 ARG B CD 3137 N NE . ARG B 85 ? 1.3412 1.1396 0.9382 0.0806 0.0277 -0.0374 308 ARG B NE 3138 C CZ . ARG B 85 ? 1.3949 1.1962 0.9950 0.0724 0.0515 -0.0331 308 ARG B CZ 3139 N NH1 . ARG B 85 ? 1.3530 1.1846 1.0033 0.0612 0.0603 -0.0322 308 ARG B NH1 3140 N NH2 . ARG B 85 ? 1.4484 1.2202 1.0001 0.0756 0.0664 -0.0313 308 ARG B NH2 3141 N N . THR B 86 ? 0.6545 0.5239 0.3913 0.0808 -0.0690 -0.0854 309 THR B N 3142 C CA . THR B 86 ? 0.6576 0.5505 0.4405 0.0720 -0.0772 -0.0968 309 THR B CA 3143 C C . THR B 86 ? 0.6275 0.5395 0.4435 0.0636 -0.0639 -0.0954 309 THR B C 3144 O O . THR B 86 ? 0.6222 0.5303 0.4310 0.0710 -0.0595 -0.1001 309 THR B O 3145 C CB . THR B 86 ? 0.7403 0.6274 0.5238 0.0839 -0.1000 -0.1235 309 THR B CB 3146 O OG1 . THR B 86 ? 0.6923 0.5606 0.4468 0.0919 -0.1159 -0.1260 309 THR B OG1 3147 C CG2 . THR B 86 ? 0.5945 0.5053 0.4283 0.0724 -0.1038 -0.1379 309 THR B CG2 3148 N N . TYR B 87 ? 0.5438 0.4749 0.3945 0.0487 -0.0582 -0.0891 310 TYR B N 3149 C CA . TYR B 87 ? 0.5379 0.4824 0.4166 0.0410 -0.0468 -0.0866 310 TYR B CA 3150 C C . TYR B 87 ? 0.5396 0.4943 0.4507 0.0341 -0.0533 -0.1021 310 TYR B C 3151 O O . TYR B 87 ? 0.5517 0.5121 0.4750 0.0271 -0.0607 -0.1069 310 TYR B O 3152 C CB . TYR B 87 ? 0.5510 0.5046 0.4387 0.0305 -0.0321 -0.0659 310 TYR B CB 3153 C CG . TYR B 87 ? 0.5212 0.4640 0.3803 0.0362 -0.0222 -0.0546 310 TYR B CG 3154 C CD1 . TYR B 87 ? 0.4858 0.4194 0.3225 0.0374 -0.0230 -0.0471 310 TYR B CD1 3155 C CD2 . TYR B 87 ? 0.5412 0.4816 0.3954 0.0398 -0.0114 -0.0532 310 TYR B CD2 3156 C CE1 . TYR B 87 ? 0.5103 0.4301 0.3187 0.0411 -0.0107 -0.0378 310 TYR B CE1 3157 C CE2 . TYR B 87 ? 0.5673 0.4967 0.3954 0.0432 0.0002 -0.0454 310 TYR B CE2 3158 C CZ . TYR B 87 ? 0.6080 0.5258 0.4120 0.0434 0.0017 -0.0376 310 TYR B CZ 3159 O OH . TYR B 87 ? 0.6472 0.5504 0.4233 0.0452 0.0166 -0.0305 310 TYR B OH 3160 N N . THR B 88 ? 0.5173 0.4738 0.4431 0.0356 -0.0494 -0.1111 311 THR B N 3161 C CA . THR B 88 ? 0.4742 0.4368 0.4302 0.0287 -0.0518 -0.1279 311 THR B CA 3162 C C . THR B 88 ? 0.5650 0.5320 0.5410 0.0178 -0.0380 -0.1177 311 THR B C 3163 O O . THR B 88 ? 0.5504 0.5154 0.5221 0.0219 -0.0306 -0.1098 311 THR B O 3164 C CB . THR B 88 ? 0.5550 0.5131 0.5134 0.0416 -0.0605 -0.1528 311 THR B CB 3165 O OG1 . THR B 88 ? 0.6077 0.5572 0.5421 0.0548 -0.0760 -0.1633 311 THR B OG1 3166 C CG2 . THR B 88 ? 0.5428 0.5066 0.5361 0.0331 -0.0605 -0.1735 311 THR B CG2 3167 N N . CYS B 89 ? 0.5105 0.4817 0.5067 0.0038 -0.0350 -0.1187 312 CYS B N 3168 C CA . CYS B 89 ? 0.4447 0.4136 0.4557 -0.0060 -0.0232 -0.1113 312 CYS B CA 3169 C C . CYS B 89 ? 0.4490 0.4138 0.4809 -0.0090 -0.0218 -0.1336 312 CYS B C 3170 O O . CYS B 89 ? 0.5019 0.4690 0.5477 -0.0159 -0.0254 -0.1504 312 CYS B O 3171 C CB . CYS B 89 ? 0.4685 0.4410 0.4843 -0.0199 -0.0188 -0.0977 312 CYS B CB 3172 S SG . CYS B 89 ? 0.5234 0.4854 0.5487 -0.0309 -0.0059 -0.0881 312 CYS B SG 3173 N N . GLN B 90 ? 0.5130 0.4725 0.5499 -0.0041 -0.0162 -0.1357 313 GLN B N 3174 C CA . GLN B 90 ? 0.5293 0.4849 0.5886 -0.0054 -0.0131 -0.1583 313 GLN B CA 3175 C C . GLN B 90 ? 0.5309 0.4747 0.6010 -0.0175 0.0009 -0.1506 313 GLN B C 3176 O O . GLN B 90 ? 0.5485 0.4869 0.6116 -0.0146 0.0052 -0.1350 313 GLN B O 3177 C CB . GLN B 90 ? 0.6299 0.5883 0.6888 0.0113 -0.0183 -0.1705 313 GLN B CB 3178 C CG . GLN B 90 ? 0.7959 0.7596 0.8493 0.0244 -0.0327 -0.1907 313 GLN B CG 3179 C CD . GLN B 90 ? 0.9845 0.9505 1.0448 0.0399 -0.0368 -0.2094 313 GLN B CD 3180 O OE1 . GLN B 90 ? 1.0006 0.9664 1.0687 0.0410 -0.0287 -0.2043 313 GLN B OE1 3181 N NE2 . GLN B 90 ? 1.0459 1.0141 1.1039 0.0532 -0.0508 -0.2325 313 GLN B NE2 3182 N N . VAL B 91 ? 0.5478 0.4853 0.6341 -0.0313 0.0079 -0.1632 314 VAL B N 3183 C CA . VAL B 91 ? 0.5498 0.4694 0.6402 -0.0442 0.0227 -0.1557 314 VAL B CA 3184 C C . VAL B 91 ? 0.6579 0.5697 0.7728 -0.0465 0.0314 -0.1798 314 VAL B C 3185 O O . VAL B 91 ? 0.7209 0.6382 0.8560 -0.0503 0.0314 -0.2062 314 VAL B O 3186 C CB . VAL B 91 ? 0.5612 0.4748 0.6481 -0.0618 0.0290 -0.1497 314 VAL B CB 3187 C CG1 . VAL B 91 ? 0.6325 0.5208 0.7143 -0.0741 0.0446 -0.1392 314 VAL B CG1 3188 C CG2 . VAL B 91 ? 0.4824 0.4074 0.5507 -0.0592 0.0202 -0.1288 314 VAL B CG2 3189 N N . THR B 92 ? 0.7090 0.6086 0.8250 -0.0439 0.0385 -0.1728 315 THR B N 3190 C CA . THR B 92 ? 0.7094 0.5997 0.8504 -0.0470 0.0493 -0.1943 315 THR B CA 3191 C C . THR B 92 ? 0.7363 0.5975 0.8721 -0.0648 0.0672 -0.1847 315 THR B C 3192 O O . THR B 92 ? 0.7301 0.5750 0.8452 -0.0649 0.0691 -0.1601 315 THR B O 3193 C CB . THR B 92 ? 0.7843 0.6801 0.9332 -0.0314 0.0451 -0.1963 315 THR B CB 3194 O OG1 . THR B 92 ? 0.8188 0.7366 0.9602 -0.0147 0.0290 -0.1976 315 THR B OG1 3195 C CG2 . THR B 92 ? 0.8298 0.7239 1.0122 -0.0318 0.0540 -0.2256 315 THR B CG2 3196 N N . TYR B 93 ? 0.8023 0.6549 0.9555 -0.0797 0.0804 -0.2057 316 TYR B N 3197 C CA . TYR B 93 ? 0.8211 0.6412 0.9643 -0.0989 0.1002 -0.1978 316 TYR B CA 3198 C C . TYR B 93 ? 0.9314 0.7381 1.1043 -0.1098 0.1194 -0.2270 316 TYR B C 3199 O O . TYR B 93 ? 0.8673 0.6891 1.0685 -0.1139 0.1209 -0.2579 316 TYR B O 3200 C CB . TYR B 93 ? 0.7201 0.5380 0.8460 -0.1129 0.1018 -0.1883 316 TYR B CB 3201 C CG . TYR B 93 ? 0.8069 0.5901 0.9204 -0.1346 0.1239 -0.1844 316 TYR B CG 3202 C CD1 . TYR B 93 ? 0.8929 0.6442 0.9732 -0.1366 0.1299 -0.1560 316 TYR B CD1 3203 C CD2 . TYR B 93 ? 0.8427 0.6226 0.9761 -0.1530 0.1389 -0.2107 316 TYR B CD2 3204 C CE1 . TYR B 93 ? 0.9817 0.6953 1.0432 -0.1559 0.1507 -0.1513 316 TYR B CE1 3205 C CE2 . TYR B 93 ? 0.8364 0.5813 0.9548 -0.1745 0.1620 -0.2075 316 TYR B CE2 3206 C CZ . TYR B 93 ? 0.9691 0.6793 1.0488 -0.1758 0.1681 -0.1765 316 TYR B CZ 3207 O OH . TYR B 93 ? 1.1133 0.7831 1.1712 -0.1968 0.1917 -0.1725 316 TYR B OH 3208 N N . GLN B 94 ? 1.1287 0.9058 1.2956 -0.1142 0.1337 -0.2183 317 GLN B N 3209 C CA . GLN B 94 ? 1.3230 1.0824 1.5175 -0.1250 0.1554 -0.2437 317 GLN B CA 3210 C C . GLN B 94 ? 1.3927 1.1817 1.6339 -0.1192 0.1528 -0.2852 317 GLN B C 3211 O O . GLN B 94 ? 1.3955 1.1810 1.6600 -0.1343 0.1678 -0.3133 317 GLN B O 3212 C CB . GLN B 94 ? 1.4226 1.1451 1.6008 -0.1508 0.1801 -0.2414 317 GLN B CB 3213 C CG . GLN B 94 ? 1.4888 1.2251 1.6761 -0.1647 0.1828 -0.2593 317 GLN B CG 3214 C CD . GLN B 94 ? 1.5745 1.2758 1.7592 -0.1921 0.2132 -0.2701 317 GLN B CD 3215 O OE1 . GLN B 94 ? 1.6328 1.2925 1.7830 -0.2021 0.2284 -0.2468 317 GLN B OE1 3216 N NE2 . GLN B 94 ? 1.5742 1.2900 1.7943 -0.2043 0.2222 -0.3071 317 GLN B NE2 3217 N N . GLY B 95 ? 1.4392 1.2567 1.6941 -0.0969 0.1336 -0.2909 318 GLY B N 3218 C CA . GLY B 95 ? 1.5028 1.3468 1.7996 -0.0867 0.1280 -0.3306 318 GLY B CA 3219 C C . GLY B 95 ? 1.5710 1.4471 1.8641 -0.0700 0.1020 -0.3358 318 GLY B C 3220 O O . GLY B 95 ? 1.5530 1.4457 1.8386 -0.0499 0.0849 -0.3272 318 GLY B O 3221 N N . HIS B 96 ? 1.6475 1.5305 1.9447 -0.0787 0.0995 -0.3507 319 HIS B N 3222 C CA . HIS B 96 ? 1.6683 1.5774 1.9614 -0.0634 0.0746 -0.3585 319 HIS B CA 3223 C C . HIS B 96 ? 1.4563 1.3664 1.7065 -0.0612 0.0624 -0.3195 319 HIS B C 3224 O O . HIS B 96 ? 1.4230 1.3150 1.6490 -0.0721 0.0724 -0.2889 319 HIS B O 3225 C CB . HIS B 96 ? 1.8600 1.7775 2.1803 -0.0724 0.0745 -0.3951 319 HIS B CB 3226 C CG . HIS B 96 ? 2.0349 1.9550 2.4034 -0.0728 0.0853 -0.4400 319 HIS B CG 3227 N ND1 . HIS B 96 ? 2.1004 2.0127 2.4976 -0.0956 0.1097 -0.4599 319 HIS B ND1 3228 C CD2 . HIS B 96 ? 2.0917 2.0309 2.4898 -0.0525 0.0765 -0.4652 319 HIS B CD2 3229 C CE1 . HIS B 96 ? 2.1285 2.0602 2.5755 -0.0895 0.1161 -0.4939 319 HIS B CE1 3230 N NE2 . HIS B 96 ? 2.1207 2.0701 2.5701 -0.0630 0.0948 -0.4975 319 HIS B NE2 3231 N N . THR B 97 ? 1.2677 1.1974 1.5083 -0.0461 0.0405 -0.3220 320 THR B N 3232 C CA . THR B 97 ? 1.0902 1.0229 1.2937 -0.0423 0.0292 -0.2881 320 THR B CA 3233 C C . THR B 97 ? 0.9604 0.9010 1.1589 -0.0493 0.0202 -0.2922 320 THR B C 3234 O O . THR B 97 ? 0.9560 0.9050 1.1786 -0.0499 0.0148 -0.3251 320 THR B O 3235 C CB . THR B 97 ? 1.0163 0.9613 1.2039 -0.0187 0.0123 -0.2805 320 THR B CB 3236 O OG1 . THR B 97 ? 0.9746 0.9334 1.1721 -0.0045 -0.0045 -0.3091 320 THR B OG1 3237 C CG2 . THR B 97 ? 1.0022 0.9437 1.1996 -0.0111 0.0193 -0.2797 320 THR B CG2 3238 N N . PHE B 98 ? 0.8103 0.7493 0.9804 -0.0540 0.0181 -0.2604 321 PHE B N 3239 C CA . PHE B 98 ? 0.7404 0.6887 0.9039 -0.0597 0.0086 -0.2593 321 PHE B CA 3240 C C . PHE B 98 ? 0.7634 0.7197 0.8971 -0.0447 -0.0063 -0.2346 321 PHE B C 3241 O O . PHE B 98 ? 0.8232 0.7747 0.9398 -0.0376 -0.0032 -0.2121 321 PHE B O 3242 C CB . PHE B 98 ? 0.7638 0.7018 0.9229 -0.0822 0.0236 -0.2441 321 PHE B CB 3243 C CG . PHE B 98 ? 0.7914 0.7125 0.9705 -0.0992 0.0449 -0.2604 321 PHE B CG 3244 C CD1 . PHE B 98 ? 0.8168 0.7391 1.0194 -0.1162 0.0522 -0.2871 321 PHE B CD1 3245 C CD2 . PHE B 98 ? 0.8238 0.7264 0.9988 -0.0989 0.0584 -0.2502 321 PHE B CD2 3246 C CE1 . PHE B 98 ? 0.8087 0.7123 1.0287 -0.1337 0.0753 -0.3033 321 PHE B CE1 3247 C CE2 . PHE B 98 ? 0.8295 0.7121 1.0203 -0.1151 0.0801 -0.2647 321 PHE B CE2 3248 C CZ . PHE B 98 ? 0.8033 0.6854 1.0157 -0.1331 0.0900 -0.2911 321 PHE B CZ 3249 N N . GLU B 99 ? 0.6996 0.6669 0.8276 -0.0399 -0.0218 -0.2399 322 GLU B N 3250 C CA . GLU B 99 ? 0.6891 0.6604 0.7873 -0.0266 -0.0333 -0.2173 322 GLU B CA 3251 C C . GLU B 99 ? 0.6355 0.6153 0.7263 -0.0290 -0.0453 -0.2149 322 GLU B C 3252 O O . GLU B 99 ? 0.5825 0.5679 0.6928 -0.0363 -0.0511 -0.2380 322 GLU B O 3253 C CB . GLU B 99 ? 0.7780 0.7493 0.8669 -0.0048 -0.0443 -0.2279 322 GLU B CB 3254 C CG . GLU B 99 ? 0.8428 0.8182 0.9366 0.0066 -0.0631 -0.2573 322 GLU B CG 3255 C CD . GLU B 99 ? 0.8570 0.8293 0.9331 0.0302 -0.0749 -0.2648 322 GLU B CD 3256 O OE1 . GLU B 99 ? 0.8274 0.7980 0.9052 0.0354 -0.0663 -0.2608 322 GLU B OE1 3257 O OE2 . GLU B 99 ? 0.8733 0.8434 0.9326 0.0438 -0.0934 -0.2751 322 GLU B OE2 3258 N N . ASP B 100 ? 0.5863 0.5674 0.6510 -0.0231 -0.0487 -0.1885 323 ASP B N 3259 C CA . ASP B 100 ? 0.5379 0.5262 0.5932 -0.0234 -0.0600 -0.1830 323 ASP B CA 3260 C C . ASP B 100 ? 0.5143 0.4984 0.5375 -0.0082 -0.0652 -0.1638 323 ASP B C 3261 O O . ASP B 100 ? 0.4688 0.4480 0.4798 -0.0033 -0.0560 -0.1481 323 ASP B O 3262 C CB . ASP B 100 ? 0.6492 0.6446 0.7126 -0.0417 -0.0508 -0.1668 323 ASP B CB 3263 C CG . ASP B 100 ? 0.7489 0.7556 0.8195 -0.0472 -0.0627 -0.1743 323 ASP B CG 3264 O OD1 . ASP B 100 ? 0.8423 0.8486 0.9055 -0.0350 -0.0794 -0.1874 323 ASP B OD1 3265 O OD2 . ASP B 100 ? 0.7626 0.7776 0.8454 -0.0631 -0.0563 -0.1677 323 ASP B OD2 3266 N N . SER B 101 ? 0.4940 0.4781 0.5031 -0.0011 -0.0796 -0.1664 324 SER B N 3267 C CA . SER B 101 ? 0.5562 0.5312 0.5308 0.0128 -0.0829 -0.1504 324 SER B CA 3268 C C . SER B 101 ? 0.4729 0.4517 0.4375 0.0087 -0.0868 -0.1353 324 SER B C 3269 O O . SER B 101 ? 0.5171 0.5061 0.5007 -0.0011 -0.0935 -0.1433 324 SER B O 3270 C CB . SER B 101 ? 0.6019 0.5639 0.5581 0.0319 -0.0983 -0.1705 324 SER B CB 3271 O OG . SER B 101 ? 0.7609 0.7212 0.7266 0.0376 -0.0936 -0.1831 324 SER B OG 3272 N N . THR B 102 ? 0.4346 0.4056 0.3713 0.0157 -0.0814 -0.1149 325 THR B N 3273 C CA . THR B 102 ? 0.4487 0.4216 0.3750 0.0132 -0.0831 -0.1002 325 THR B CA 3274 C C . THR B 102 ? 0.5120 0.4659 0.3984 0.0262 -0.0811 -0.0885 325 THR B C 3275 O O . THR B 102 ? 0.5369 0.4811 0.4071 0.0337 -0.0729 -0.0855 325 THR B O 3276 C CB . THR B 102 ? 0.4546 0.4442 0.4005 -0.0009 -0.0683 -0.0805 325 THR B CB 3277 O OG1 . THR B 102 ? 0.4738 0.4678 0.4147 -0.0030 -0.0702 -0.0689 325 THR B OG1 3278 C CG2 . THR B 102 ? 0.3993 0.3854 0.3368 0.0017 -0.0520 -0.0654 325 THR B CG2 3279 N N . LYS B 103 ? 0.5050 0.4525 0.3753 0.0280 -0.0876 -0.0823 326 LYS B N 3280 C CA . LYS B 103 ? 0.4579 0.3860 0.2902 0.0360 -0.0798 -0.0666 326 LYS B CA 3281 C C . LYS B 103 ? 0.4854 0.4192 0.3214 0.0288 -0.0785 -0.0536 326 LYS B C 3282 O O . LYS B 103 ? 0.4634 0.4162 0.3295 0.0196 -0.0871 -0.0589 326 LYS B O 3283 C CB . LYS B 103 ? 0.5048 0.4035 0.2950 0.0538 -0.0934 -0.0781 326 LYS B CB 3284 C CG . LYS B 103 ? 0.5686 0.4556 0.3467 0.0602 -0.1161 -0.0895 326 LYS B CG 3285 C CD . LYS B 103 ? 0.6604 0.5128 0.3889 0.0808 -0.1296 -0.0995 326 LYS B CD 3286 C CE . LYS B 103 ? 0.8364 0.6643 0.5315 0.0882 -0.1438 -0.0966 326 LYS B CE 3287 N NZ . LYS B 103 ? 0.8154 0.6405 0.5001 0.0785 -0.1241 -0.0699 326 LYS B NZ 3288 N N . LYS B 104 ? 0.4958 0.4143 0.3036 0.0320 -0.0659 -0.0375 327 LYS B N 3289 C CA . LYS B 104 ? 0.4898 0.4099 0.2979 0.0270 -0.0634 -0.0256 327 LYS B CA 3290 C C . LYS B 104 ? 0.5287 0.4472 0.3395 0.0290 -0.0880 -0.0383 327 LYS B C 3291 O O . LYS B 104 ? 0.4901 0.3865 0.2741 0.0413 -0.1054 -0.0523 327 LYS B O 3292 C CB . LYS B 104 ? 0.6831 0.5728 0.4459 0.0342 -0.0501 -0.0131 327 LYS B CB 3293 C CG . LYS B 104 ? 0.7523 0.6398 0.5133 0.0292 -0.0431 0.0000 327 LYS B CG 3294 C CD . LYS B 104 ? 0.8836 0.7301 0.5889 0.0376 -0.0321 0.0090 327 LYS B CD 3295 C CE . LYS B 104 ? 1.0013 0.8146 0.6646 0.0502 -0.0557 0.0019 327 LYS B CE 3296 N NZ . LYS B 104 ? 0.8219 0.6453 0.5050 0.0454 -0.0694 0.0027 327 LYS B NZ 3297 N N . CYS B 105 ? 0.5270 0.4697 0.3715 0.0179 -0.0910 -0.0357 328 CYS B N 3298 C CA . CYS B 105 ? 0.5254 0.4684 0.3760 0.0190 -0.1150 -0.0495 328 CYS B CA 3299 C C . CYS B 105 ? 0.6017 0.5067 0.4025 0.0330 -0.1250 -0.0472 328 CYS B C 3300 O O . CYS B 105 ? 0.6773 0.5637 0.4491 0.0354 -0.1081 -0.0292 328 CYS B O 3301 C CB . CYS B 105 ? 0.5222 0.4976 0.4156 0.0045 -0.1140 -0.0446 328 CYS B CB 3302 S SG . CYS B 105 ? 0.5818 0.5948 0.5260 -0.0110 -0.1062 -0.0497 328 CYS B SG 3303 N N . ALA B 106 ? 0.5703 0.4615 0.3601 0.0423 -0.1520 -0.0669 329 ALA B N 3304 C CA . ALA B 106 ? 0.6866 0.5360 0.4233 0.0580 -0.1655 -0.0662 329 ALA B CA 3305 C C . ALA B 106 ? 0.6542 0.5010 0.3891 0.0524 -0.1620 -0.0501 329 ALA B C 3306 O O . ALA B 106 ? 0.6133 0.4952 0.3961 0.0385 -0.1621 -0.0495 329 ALA B O 3307 C CB . ALA B 106 ? 0.7430 0.5804 0.4739 0.0707 -0.1990 -0.0950 329 ALA B CB 3308 N N . ASP B 107 ? 0.6721 0.4763 0.3513 0.0629 -0.1577 -0.0372 330 ASP B N 3309 C CA . ASP B 107 ? 0.7949 0.5908 0.4686 0.0588 -0.1542 -0.0227 330 ASP B CA 3310 C C . ASP B 107 ? 0.7662 0.5683 0.4583 0.0608 -0.1870 -0.0395 330 ASP B C 3311 O O . ASP B 107 ? 0.8139 0.6123 0.5059 0.0700 -0.2140 -0.0634 330 ASP B O 3312 C CB . ASP B 107 ? 0.8393 0.5804 0.4422 0.0698 -0.1418 -0.0066 330 ASP B CB 3313 C CG . ASP B 107 ? 0.8776 0.6220 0.4794 0.0600 -0.1024 0.0141 330 ASP B CG 3314 O OD1 . ASP B 107 ? 0.8314 0.5349 0.3831 0.0639 -0.0858 0.0286 330 ASP B OD1 3315 O OD2 . ASP B 107 ? 0.7581 0.5444 0.4088 0.0483 -0.0879 0.0145 330 ASP B OD2 3316 N N . SER B 108 ? 0.7728 0.5858 0.4843 0.0523 -0.1847 -0.0292 331 SER B N 3317 C CA . SER B 108 ? 0.7741 0.5994 0.5120 0.0515 -0.2146 -0.0449 331 SER B CA 3318 C C . SER B 108 ? 0.9584 0.7370 0.6462 0.0718 -0.2476 -0.0612 331 SER B C 3319 O O . SER B 108 ? 1.1058 0.8952 0.8142 0.0763 -0.2765 -0.0890 331 SER B O 3320 C CB . SER B 108 ? 0.7175 0.5555 0.4764 0.0412 -0.2043 -0.0282 331 SER B CB 3321 O OG . SER B 108 ? 0.8575 0.7477 0.6758 0.0234 -0.1829 -0.0211 331 SER B OG 3322 N N . ASN B 109 ? 0.9694 0.6940 0.5908 0.0843 -0.2432 -0.0455 332 ASN B N 3323 C CA . ASN B 109 ? 1.2371 0.9092 0.8004 0.1067 -0.2752 -0.0595 332 ASN B CA 3324 C C . ASN B 109 ? 1.3030 0.9352 0.8064 0.1233 -0.2713 -0.0606 332 ASN B C 3325 O O . ASN B 109 ? 1.2640 0.8621 0.7171 0.1256 -0.2449 -0.0379 332 ASN B O 3326 C CB . ASN B 109 ? 1.4409 1.0707 0.9620 0.1123 -0.2793 -0.0440 332 ASN B CB 3327 C CG . ASN B 109 ? 1.4819 1.1298 1.0414 0.1107 -0.3124 -0.0612 332 ASN B CG 3328 O OD1 . ASN B 109 ? 1.5298 1.1358 1.0490 0.1286 -0.3455 -0.0741 332 ASN B OD1 3329 N ND2 . ASN B 109 ? 1.4224 1.1324 1.0598 0.0900 -0.3051 -0.0630 332 ASN B ND2 3330 N N . PRO B 110 ? 1.4081 1.0464 0.9201 0.1344 -0.2963 -0.0890 333 PRO B N 3331 C CA . PRO B 110 ? 1.4664 1.0649 0.9203 0.1543 -0.2998 -0.0950 333 PRO B CA 3332 C C . PRO B 110 ? 1.5258 1.0527 0.8933 0.1756 -0.3141 -0.0874 333 PRO B C 3333 O O . PRO B 110 ? 1.3802 0.8878 0.7379 0.1869 -0.3481 -0.1024 333 PRO B O 3334 C CB . PRO B 110 ? 1.4950 1.1163 0.9854 0.1626 -0.3313 -0.1331 333 PRO B CB 3335 C CG . PRO B 110 ? 1.4443 1.1292 1.0205 0.1387 -0.3267 -0.1402 333 PRO B CG 3336 C CD . PRO B 110 ? 1.4068 1.0934 0.9886 0.1270 -0.3189 -0.1184 333 PRO B CD 3337 N N . ARG B 111 ? 1.3174 1.5141 0.9843 -0.3709 -0.0973 -0.0195 334 ARG B N 3338 C CA . ARG B 111 ? 1.3759 1.5725 1.0623 -0.3479 -0.0954 -0.0299 334 ARG B CA 3339 C C . ARG B 111 ? 1.2334 1.4310 0.9480 -0.3218 -0.0822 -0.0501 334 ARG B C 3340 O O . ARG B 111 ? 1.2167 1.4163 0.9368 -0.3206 -0.0734 -0.0569 334 ARG B O 3341 C CB . ARG B 111 ? 1.4623 1.6690 1.1687 -0.3393 -0.1125 -0.0051 334 ARG B CB 3342 C CG . ARG B 111 ? 1.6007 1.8051 1.2806 -0.3622 -0.1261 0.0116 334 ARG B CG 3343 C CD . ARG B 111 ? 1.6706 1.8859 1.3743 -0.3504 -0.1401 0.0303 334 ARG B CD 3344 N NE . ARG B 111 ? 1.7009 1.9143 1.4220 -0.3271 -0.1333 0.0138 334 ARG B NE 3345 C CZ . ARG B 111 ? 1.7002 1.9227 1.4473 -0.3118 -0.1408 0.0240 334 ARG B CZ 3346 N NH1 . ARG B 111 ? 1.6932 1.9298 1.4563 -0.3154 -0.1546 0.0501 334 ARG B NH1 3347 N NH2 . ARG B 111 ? 1.6941 1.9112 1.4518 -0.2937 -0.1347 0.0077 334 ARG B NH2 3348 N N . GLY B 112 ? 1.1742 1.3694 0.9055 -0.3021 -0.0821 -0.0589 335 GLY B N 3349 C CA . GLY B 112 ? 1.1028 1.2945 0.8565 -0.2797 -0.0706 -0.0805 335 GLY B CA 3350 C C . GLY B 112 ? 0.9901 1.1903 0.7777 -0.2590 -0.0710 -0.0726 335 GLY B C 3351 O O . GLY B 112 ? 0.9963 1.2065 0.7947 -0.2593 -0.0803 -0.0496 335 GLY B O 3352 N N . VAL B 113 ? 0.8347 1.0297 0.6400 -0.2408 -0.0613 -0.0922 336 VAL B N 3353 C CA . VAL B 113 ? 0.6831 0.8828 0.5183 -0.2211 -0.0596 -0.0882 336 VAL B CA 3354 C C . VAL B 113 ? 0.7165 0.9185 0.5715 -0.2066 -0.0694 -0.0739 336 VAL B C 3355 O O . VAL B 113 ? 0.7984 0.9945 0.6484 -0.2052 -0.0746 -0.0768 336 VAL B O 3356 C CB . VAL B 113 ? 0.7144 0.9060 0.5620 -0.2071 -0.0476 -0.1138 336 VAL B CB 3357 C CG1 . VAL B 113 ? 0.6540 0.8495 0.5279 -0.1904 -0.0448 -0.1091 336 VAL B CG1 3358 C CG2 . VAL B 113 ? 0.7537 0.9430 0.5827 -0.2218 -0.0358 -0.1325 336 VAL B CG2 3359 N N . SER B 114 ? 0.5937 0.8037 0.4704 -0.1968 -0.0716 -0.0589 337 SER B N 3360 C CA . SER B 114 ? 0.5931 0.8049 0.4923 -0.1816 -0.0774 -0.0483 337 SER B CA 3361 C C . SER B 114 ? 0.5437 0.7546 0.4674 -0.1639 -0.0710 -0.0496 337 SER B C 3362 O O . SER B 114 ? 0.5130 0.7261 0.4372 -0.1653 -0.0652 -0.0511 337 SER B O 3363 C CB . SER B 114 ? 0.5764 0.8008 0.4788 -0.1896 -0.0892 -0.0230 337 SER B CB 3364 O OG . SER B 114 ? 0.6598 0.8927 0.5609 -0.1992 -0.0916 -0.0092 337 SER B OG 3365 N N . ALA B 115 ? 0.4982 0.7045 0.4396 -0.1490 -0.0720 -0.0492 338 ALA B N 3366 C CA . ALA B 115 ? 0.5354 0.7375 0.4978 -0.1328 -0.0659 -0.0508 338 ALA B CA 3367 C C . ALA B 115 ? 0.5525 0.7590 0.5357 -0.1235 -0.0697 -0.0351 338 ALA B C 3368 O O . ALA B 115 ? 0.5701 0.7773 0.5531 -0.1250 -0.0754 -0.0309 338 ALA B O 3369 C CB . ALA B 115 ? 0.4513 0.6373 0.4142 -0.1232 -0.0600 -0.0729 338 ALA B CB 3370 N N . TYR B 116 ? 0.4199 0.6288 0.4206 -0.1143 -0.0658 -0.0271 339 TYR B N 3371 C CA . TYR B 116 ? 0.4486 0.6615 0.4718 -0.1049 -0.0669 -0.0133 339 TYR B CA 3372 C C . TYR B 116 ? 0.4105 0.6109 0.4468 -0.0900 -0.0584 -0.0201 339 TYR B C 3373 O O . TYR B 116 ? 0.4200 0.6151 0.4529 -0.0874 -0.0529 -0.0276 339 TYR B O 3374 C CB . TYR B 116 ? 0.3623 0.5909 0.3957 -0.1097 -0.0725 0.0075 339 TYR B CB 3375 C CG . TYR B 116 ? 0.4656 0.7044 0.4825 -0.1272 -0.0819 0.0151 339 TYR B CG 3376 C CD1 . TYR B 116 ? 0.4979 0.7461 0.5193 -0.1327 -0.0905 0.0264 339 TYR B CD1 3377 C CD2 . TYR B 116 ? 0.4819 0.7202 0.4774 -0.1397 -0.0817 0.0106 339 TYR B CD2 3378 C CE1 . TYR B 116 ? 0.5863 0.8421 0.5907 -0.1501 -0.0999 0.0344 339 TYR B CE1 3379 C CE2 . TYR B 116 ? 0.5634 0.8083 0.5402 -0.1580 -0.0901 0.0177 339 TYR B CE2 3380 C CZ . TYR B 116 ? 0.5845 0.8375 0.5655 -0.1630 -0.0998 0.0302 339 TYR B CZ 3381 O OH . TYR B 116 ? 0.7090 0.9670 0.6699 -0.1825 -0.1091 0.0384 339 TYR B OH 3382 N N . LEU B 117 ? 0.3421 0.5374 0.3923 -0.0817 -0.0569 -0.0176 340 LEU B N 3383 C CA . LEU B 117 ? 0.3187 0.4995 0.3791 -0.0693 -0.0490 -0.0230 340 LEU B CA 3384 C C . LEU B 117 ? 0.3738 0.5599 0.4566 -0.0625 -0.0464 -0.0087 340 LEU B C 3385 O O . LEU B 117 ? 0.3663 0.5584 0.4564 -0.0646 -0.0490 -0.0033 340 LEU B O 3386 C CB . LEU B 117 ? 0.3435 0.5052 0.3944 -0.0672 -0.0484 -0.0394 340 LEU B CB 3387 C CG . LEU B 117 ? 0.3376 0.4798 0.3954 -0.0570 -0.0419 -0.0455 340 LEU B CG 3388 C CD1 . LEU B 117 ? 0.3342 0.4728 0.3937 -0.0517 -0.0366 -0.0485 340 LEU B CD1 3389 C CD2 . LEU B 117 ? 0.3628 0.4852 0.4085 -0.0582 -0.0451 -0.0607 340 LEU B CD2 3390 N N . SER B 118 ? 0.2858 0.4701 0.3798 -0.0548 -0.0410 -0.0030 341 SER B N 3391 C CA . SER B 118 ? 0.3419 0.5314 0.4595 -0.0477 -0.0377 0.0103 341 SER B CA 3392 C C . SER B 118 ? 0.3925 0.5630 0.5161 -0.0380 -0.0278 0.0039 341 SER B C 3393 O O . SER B 118 ? 0.4280 0.5820 0.5400 -0.0350 -0.0239 -0.0068 341 SER B O 3394 C CB . SER B 118 ? 0.3168 0.5169 0.4434 -0.0466 -0.0399 0.0238 341 SER B CB 3395 O OG . SER B 118 ? 0.5066 0.6946 0.6244 -0.0422 -0.0344 0.0172 341 SER B OG 3396 N N . ARG B 119 ? 0.2985 0.4713 0.4409 -0.0339 -0.0235 0.0107 342 ARG B N 3397 C CA . ARG B 119 ? 0.3157 0.4700 0.4643 -0.0263 -0.0127 0.0066 342 ARG B CA 3398 C C . ARG B 119 ? 0.2810 0.4330 0.4394 -0.0181 -0.0077 0.0143 342 ARG B C 3399 O O . ARG B 119 ? 0.2645 0.4319 0.4298 -0.0183 -0.0133 0.0251 342 ARG B O 3400 C CB . ARG B 119 ? 0.3248 0.4840 0.4914 -0.0262 -0.0080 0.0104 342 ARG B CB 3401 C CG . ARG B 119 ? 0.3361 0.4952 0.4909 -0.0353 -0.0125 0.0027 342 ARG B CG 3402 C CD . ARG B 119 ? 0.4444 0.6064 0.6160 -0.0362 -0.0053 0.0043 342 ARG B CD 3403 N NE . ARG B 119 ? 0.4573 0.6457 0.6583 -0.0340 -0.0068 0.0189 342 ARG B NE 3404 C CZ . ARG B 119 ? 0.5506 0.7601 0.7561 -0.0408 -0.0167 0.0256 342 ARG B CZ 3405 N NH1 . ARG B 119 ? 0.5443 0.7510 0.7249 -0.0502 -0.0248 0.0184 342 ARG B NH1 3406 N NH2 . ARG B 119 ? 0.5441 0.7766 0.7795 -0.0385 -0.0192 0.0399 342 ARG B NH2 3407 N N . PRO B 120 ? 0.2862 0.4170 0.4431 -0.0120 0.0019 0.0093 343 PRO B N 3408 C CA . PRO B 120 ? 0.2241 0.3512 0.3895 -0.0041 0.0069 0.0171 343 PRO B CA 3409 C C . PRO B 120 ? 0.2863 0.4293 0.4796 0.0004 0.0082 0.0313 343 PRO B C 3410 O O . PRO B 120 ? 0.2626 0.4126 0.4701 -0.0008 0.0104 0.0320 343 PRO B O 3411 C CB . PRO B 120 ? 0.2623 0.3620 0.4207 -0.0004 0.0176 0.0090 343 PRO B CB 3412 C CG . PRO B 120 ? 0.2429 0.3303 0.3830 -0.0073 0.0146 -0.0048 343 PRO B CG 3413 C CD . PRO B 120 ? 0.3039 0.4112 0.4482 -0.0135 0.0072 -0.0034 343 PRO B CD 3414 N N . SER B 121 ? 0.2219 0.3703 0.4241 0.0053 0.0063 0.0422 344 SER B N 3415 C CA . SER B 121 ? 0.2555 0.4165 0.4881 0.0111 0.0069 0.0555 344 SER B CA 3416 C C . SER B 121 ? 0.1873 0.3308 0.4311 0.0195 0.0217 0.0530 344 SER B C 3417 O O . SER B 121 ? 0.2263 0.3477 0.4524 0.0215 0.0288 0.0461 344 SER B O 3418 C CB . SER B 121 ? 0.3317 0.5025 0.5688 0.0123 -0.0026 0.0688 344 SER B CB 3419 O OG . SER B 121 ? 0.2934 0.4464 0.5191 0.0175 0.0030 0.0676 344 SER B OG 3420 N N . PRO B 122 ? 0.1755 0.3285 0.4491 0.0237 0.0268 0.0582 345 PRO B N 3421 C CA . PRO B 122 ? 0.1993 0.3361 0.4859 0.0313 0.0425 0.0561 345 PRO B CA 3422 C C . PRO B 122 ? 0.2611 0.3846 0.5442 0.0388 0.0445 0.0621 345 PRO B C 3423 O O . PRO B 122 ? 0.2290 0.3286 0.5027 0.0419 0.0570 0.0562 345 PRO B O 3424 C CB . PRO B 122 ? 0.1673 0.3250 0.4935 0.0350 0.0441 0.0634 345 PRO B CB 3425 C CG . PRO B 122 ? 0.1870 0.3643 0.5108 0.0257 0.0336 0.0625 345 PRO B CG 3426 C CD . PRO B 122 ? 0.1721 0.3506 0.4686 0.0205 0.0195 0.0647 345 PRO B CD 3427 N N . PHE B 123 ? 0.2850 0.4218 0.5728 0.0402 0.0317 0.0739 346 PHE B N 3428 C CA . PHE B 123 ? 0.2701 0.3941 0.5511 0.0459 0.0318 0.0800 346 PHE B CA 3429 C C . PHE B 123 ? 0.2775 0.3794 0.5229 0.0424 0.0362 0.0697 346 PHE B C 3430 O O . PHE B 123 ? 0.2874 0.3678 0.5258 0.0473 0.0462 0.0679 346 PHE B O 3431 C CB . PHE B 123 ? 0.2994 0.4403 0.5860 0.0445 0.0150 0.0940 346 PHE B CB 3432 C CG . PHE B 123 ? 0.3485 0.4759 0.6247 0.0486 0.0135 0.1005 346 PHE B CG 3433 C CD1 . PHE B 123 ? 0.4300 0.5514 0.6740 0.0418 0.0081 0.0977 346 PHE B CD1 3434 C CD2 . PHE B 123 ? 0.4312 0.5518 0.7299 0.0588 0.0178 0.1088 346 PHE B CD2 3435 C CE1 . PHE B 123 ? 0.4654 0.5746 0.6980 0.0442 0.0065 0.1037 346 PHE B CE1 3436 C CE2 . PHE B 123 ? 0.4593 0.5660 0.7461 0.0620 0.0156 0.1152 346 PHE B CE2 3437 C CZ . PHE B 123 ? 0.4527 0.5538 0.7052 0.0542 0.0097 0.1130 346 PHE B CZ 3438 N N . ASP B 124 ? 0.2472 0.3541 0.4713 0.0339 0.0288 0.0628 347 ASP B N 3439 C CA . ASP B 124 ? 0.3272 0.4152 0.5218 0.0308 0.0316 0.0523 347 ASP B CA 3440 C C . ASP B 124 ? 0.3168 0.3819 0.5047 0.0312 0.0440 0.0416 347 ASP B C 3441 O O . ASP B 124 ? 0.2827 0.3253 0.4539 0.0322 0.0498 0.0372 347 ASP B O 3442 C CB . ASP B 124 ? 0.3184 0.4176 0.4958 0.0218 0.0216 0.0456 347 ASP B CB 3443 C CG . ASP B 124 ? 0.3494 0.4645 0.5233 0.0180 0.0105 0.0543 347 ASP B CG 3444 O OD1 . ASP B 124 ? 0.3433 0.4567 0.5235 0.0226 0.0097 0.0649 347 ASP B OD1 3445 O OD2 . ASP B 124 ? 0.3427 0.4704 0.5060 0.0096 0.0024 0.0504 347 ASP B OD2 3446 N N . LEU B 125 ? 0.2305 0.3006 0.4299 0.0290 0.0473 0.0377 348 LEU B N 3447 C CA . LEU B 125 ? 0.2873 0.3351 0.4778 0.0261 0.0580 0.0271 348 LEU B CA 3448 C C . LEU B 125 ? 0.3312 0.3592 0.5286 0.0319 0.0724 0.0296 348 LEU B C 3449 O O . LEU B 125 ? 0.3431 0.3434 0.5214 0.0292 0.0799 0.0226 348 LEU B O 3450 C CB . LEU B 125 ? 0.2522 0.3122 0.4531 0.0208 0.0579 0.0228 348 LEU B CB 3451 C CG . LEU B 125 ? 0.4999 0.5379 0.6847 0.0131 0.0646 0.0101 348 LEU B CG 3452 C CD1 . LEU B 125 ? 0.3704 0.3912 0.5259 0.0080 0.0574 0.0011 348 LEU B CD1 3453 C CD2 . LEU B 125 ? 0.5129 0.5674 0.7083 0.0071 0.0628 0.0072 348 LEU B CD2 3454 N N . PHE B 126 ? 0.2704 0.3113 0.4950 0.0394 0.0755 0.0396 349 PHE B N 3455 C CA . PHE B 126 ? 0.2844 0.3078 0.5199 0.0449 0.0911 0.0406 349 PHE B CA 3456 C C . PHE B 126 ? 0.3757 0.3932 0.6150 0.0537 0.0914 0.0508 349 PHE B C 3457 O O . PHE B 126 ? 0.4788 0.4729 0.7144 0.0568 0.1042 0.0498 349 PHE B O 3458 C CB . PHE B 126 ? 0.3150 0.3538 0.5834 0.0468 0.0987 0.0410 349 PHE B CB 3459 C CG . PHE B 126 ? 0.3455 0.3884 0.6087 0.0370 0.0995 0.0309 349 PHE B CG 3460 C CD1 . PHE B 126 ? 0.3190 0.3345 0.5563 0.0283 0.1082 0.0189 349 PHE B CD1 3461 C CD2 . PHE B 126 ? 0.2684 0.3408 0.5502 0.0352 0.0902 0.0339 349 PHE B CD2 3462 C CE1 . PHE B 126 ? 0.2968 0.3140 0.5267 0.0180 0.1075 0.0096 349 PHE B CE1 3463 C CE2 . PHE B 126 ? 0.2667 0.3419 0.5412 0.0254 0.0904 0.0247 349 PHE B CE2 3464 C CZ . PHE B 126 ? 0.3008 0.3482 0.5490 0.0169 0.0989 0.0124 349 PHE B CZ 3465 N N . ILE B 127 ? 0.2946 0.3314 0.5395 0.0566 0.0773 0.0608 350 ILE B N 3466 C CA . ILE B 127 ? 0.3386 0.3688 0.5846 0.0636 0.0756 0.0710 350 ILE B CA 3467 C C . ILE B 127 ? 0.3958 0.4127 0.6081 0.0596 0.0704 0.0693 350 ILE B C 3468 O O . ILE B 127 ? 0.4128 0.4063 0.6111 0.0620 0.0777 0.0697 350 ILE B O 3469 C CB . ILE B 127 ? 0.3355 0.3912 0.6074 0.0681 0.0624 0.0846 350 ILE B CB 3470 C CG1 . ILE B 127 ? 0.3370 0.4065 0.6484 0.0736 0.0679 0.0869 350 ILE B CG1 3471 C CG2 . ILE B 127 ? 0.4158 0.4616 0.6843 0.0740 0.0589 0.0951 350 ILE B CG2 3472 C CD1 . ILE B 127 ? 0.4773 0.5291 0.8054 0.0826 0.0839 0.0870 350 ILE B CD1 3473 N N . ARG B 128 ? 0.3264 0.3582 0.5262 0.0529 0.0582 0.0671 351 ARG B N 3474 C CA . ARG B 128 ? 0.3635 0.3862 0.5348 0.0485 0.0536 0.0638 351 ARG B CA 3475 C C . ARG B 128 ? 0.4050 0.4051 0.5567 0.0445 0.0616 0.0511 351 ARG B C 3476 O O . ARG B 128 ? 0.4492 0.4328 0.5803 0.0430 0.0625 0.0487 351 ARG B O 3477 C CB . ARG B 128 ? 0.3663 0.4123 0.5319 0.0416 0.0395 0.0639 351 ARG B CB 3478 C CG . ARG B 128 ? 0.5537 0.5945 0.6935 0.0364 0.0356 0.0592 351 ARG B CG 3479 C CD . ARG B 128 ? 0.6554 0.7193 0.7904 0.0283 0.0235 0.0588 351 ARG B CD 3480 N NE . ARG B 128 ? 0.6745 0.7538 0.8212 0.0282 0.0144 0.0729 351 ARG B NE 3481 C CZ . ARG B 128 ? 0.7327 0.8315 0.8759 0.0196 0.0029 0.0758 351 ARG B CZ 3482 N NH1 . ARG B 128 ? 0.7794 0.8855 0.9088 0.0113 0.0009 0.0645 351 ARG B NH1 3483 N NH2 . ARG B 128 ? 0.6517 0.7610 0.8050 0.0185 -0.0070 0.0900 351 ARG B NH2 3484 N N . LYS B 129 ? 0.3486 0.3583 0.5023 0.0146 -0.0079 0.0447 352 LYS B N 3485 C CA . LYS B 129 ? 0.4417 0.4484 0.5801 0.0114 -0.0104 0.0322 352 LYS B CA 3486 C C . LYS B 129 ? 0.4141 0.4231 0.5366 0.0126 -0.0131 0.0344 352 LYS B C 3487 O O . LYS B 129 ? 0.3988 0.4070 0.5173 0.0107 -0.0131 0.0269 352 LYS B O 3488 C CB . LYS B 129 ? 0.4650 0.4698 0.6199 0.0076 -0.0065 0.0209 352 LYS B CB 3489 C CG . LYS B 129 ? 0.4477 0.4506 0.6183 0.0056 -0.0038 0.0162 352 LYS B CG 3490 C CD . LYS B 129 ? 0.5691 0.5734 0.7612 0.0018 0.0010 0.0039 352 LYS B CD 3491 C CE . LYS B 129 ? 0.7237 0.7262 0.9393 -0.0001 0.0055 0.0009 352 LYS B CE 3492 N NZ . LYS B 129 ? 0.7577 0.7605 0.9617 -0.0022 0.0028 -0.0085 352 LYS B NZ 3493 N N . SER B 130 ? 0.3444 0.3582 0.4587 0.0160 -0.0152 0.0444 353 SER B N 3494 C CA . SER B 130 ? 0.3144 0.3314 0.4127 0.0172 -0.0180 0.0465 353 SER B CA 3495 C C . SER B 130 ? 0.2465 0.2695 0.3303 0.0192 -0.0218 0.0490 353 SER B C 3496 O O . SER B 130 ? 0.3348 0.3671 0.4184 0.0226 -0.0225 0.0579 353 SER B O 3497 C CB . SER B 130 ? 0.4964 0.5176 0.6050 0.0199 -0.0155 0.0565 353 SER B CB 3498 O OG . SER B 130 ? 0.6775 0.6938 0.8003 0.0178 -0.0117 0.0521 353 SER B OG 3499 N N . PRO B 131 ? 0.3298 0.3493 0.4029 0.0173 -0.0236 0.0409 354 PRO B N 3500 C CA . PRO B 131 ? 0.3151 0.3410 0.3783 0.0187 -0.0263 0.0409 354 PRO B CA 3501 C C . PRO B 131 ? 0.3245 0.3563 0.3761 0.0196 -0.0282 0.0415 354 PRO B C 3502 O O . PRO B 131 ? 0.2868 0.3138 0.3332 0.0183 -0.0278 0.0388 354 PRO B O 3503 C CB . PRO B 131 ? 0.3013 0.3200 0.3592 0.0163 -0.0262 0.0318 354 PRO B CB 3504 C CG . PRO B 131 ? 0.2806 0.2926 0.3383 0.0142 -0.0246 0.0273 354 PRO B CG 3505 C CD . PRO B 131 ? 0.2838 0.2959 0.3560 0.0143 -0.0227 0.0314 354 PRO B CD 3506 N N . THR B 132 ? 0.2896 0.3337 0.3380 0.0220 -0.0302 0.0442 355 THR B N 3507 C CA . THR B 132 ? 0.3083 0.3600 0.3470 0.0224 -0.0318 0.0422 355 THR B CA 3508 C C . THR B 132 ? 0.3042 0.3659 0.3397 0.0227 -0.0334 0.0360 355 THR B C 3509 O O . THR B 132 ? 0.3348 0.4007 0.3753 0.0238 -0.0339 0.0363 355 THR B O 3510 C CB . THR B 132 ? 0.3120 0.3758 0.3519 0.0258 -0.0323 0.0517 355 THR B CB 3511 O OG1 . THR B 132 ? 0.3628 0.4420 0.4076 0.0296 -0.0333 0.0582 355 THR B OG1 3512 C CG2 . THR B 132 ? 0.3146 0.3697 0.3624 0.0258 -0.0298 0.0582 355 THR B CG2 3513 N N . ILE B 133 ? 0.2617 0.3278 0.2909 0.0217 -0.0337 0.0297 356 ILE B N 3514 C CA . ILE B 133 ? 0.2299 0.3098 0.2590 0.0220 -0.0348 0.0221 356 ILE B CA 3515 C C . ILE B 133 ? 0.3240 0.4223 0.3495 0.0238 -0.0366 0.0230 356 ILE B C 3516 O O . ILE B 133 ? 0.3084 0.4034 0.3299 0.0237 -0.0362 0.0267 356 ILE B O 3517 C CB . ILE B 133 ? 0.3153 0.3860 0.3452 0.0188 -0.0321 0.0111 356 ILE B CB 3518 C CG1 . ILE B 133 ? 0.2682 0.3294 0.2939 0.0170 -0.0300 0.0102 356 ILE B CG1 3519 C CG2 . ILE B 133 ? 0.3698 0.4268 0.4035 0.0177 -0.0304 0.0101 356 ILE B CG2 3520 C CD1 . ILE B 133 ? 0.3300 0.3834 0.3593 0.0148 -0.0259 0.0019 356 ILE B CD1 3521 N N . THR B 134 ? 0.2437 0.3633 0.2708 0.0258 -0.0385 0.0189 357 THR B N 3522 C CA . THR B 134 ? 0.2861 0.4288 0.3099 0.0282 -0.0404 0.0194 357 THR B CA 3523 C C . THR B 134 ? 0.3565 0.5155 0.3823 0.0265 -0.0405 0.0038 357 THR B C 3524 O O . THR B 134 ? 0.3037 0.4710 0.3350 0.0262 -0.0408 -0.0046 357 THR B O 3525 C CB . THR B 134 ? 0.3276 0.4907 0.3525 0.0341 -0.0426 0.0317 357 THR B CB 3526 O OG1 . THR B 134 ? 0.3898 0.5389 0.4165 0.0357 -0.0411 0.0460 357 THR B OG1 3527 C CG2 . THR B 134 ? 0.3596 0.5522 0.3805 0.0374 -0.0446 0.0312 357 THR B CG2 3528 N N . CYS B 135 ? 0.3106 0.4744 0.3339 0.0250 -0.0399 -0.0011 358 CYS B N 3529 C CA . CYS B 135 ? 0.3249 0.5071 0.3532 0.0231 -0.0393 -0.0172 358 CYS B CA 3530 C C . CYS B 135 ? 0.3592 0.5747 0.3836 0.0271 -0.0427 -0.0158 358 CYS B C 3531 O O . CYS B 135 ? 0.3364 0.5545 0.3544 0.0288 -0.0434 -0.0070 358 CYS B O 3532 C CB . CYS B 135 ? 0.3277 0.4943 0.3584 0.0186 -0.0353 -0.0245 358 CYS B CB 3533 S SG . CYS B 135 ? 0.4249 0.6077 0.4698 0.0148 -0.0318 -0.0475 358 CYS B SG 3534 N N . LEU B 136 ? 0.3316 0.5746 0.3604 0.0290 -0.0446 -0.0245 359 LEU B N 3535 C CA . LEU B 136 ? 0.3443 0.6255 0.3694 0.0341 -0.0481 -0.0229 359 LEU B CA 3536 C C . LEU B 136 ? 0.3525 0.6592 0.3845 0.0313 -0.0476 -0.0447 359 LEU B C 3537 O O . LEU B 136 ? 0.3872 0.6979 0.4298 0.0283 -0.0461 -0.0611 359 LEU B O 3538 C CB . LEU B 136 ? 0.3868 0.6867 0.4122 0.0397 -0.0510 -0.0151 359 LEU B CB 3539 C CG . LEU B 136 ? 0.4536 0.8004 0.4764 0.0462 -0.0545 -0.0140 359 LEU B CG 3540 C CD1 . LEU B 136 ? 0.3871 0.7419 0.4016 0.0505 -0.0549 0.0018 359 LEU B CD1 3541 C CD2 . LEU B 136 ? 0.4045 0.7686 0.4291 0.0520 -0.0568 -0.0055 359 LEU B CD2 3542 N N . VAL B 137 ? 0.3210 0.6456 0.3489 0.0321 -0.0483 -0.0459 360 VAL B N 3543 C CA . VAL B 137 ? 0.3364 0.6886 0.3727 0.0293 -0.0475 -0.0680 360 VAL B CA 3544 C C . VAL B 137 ? 0.3815 0.7824 0.4127 0.0358 -0.0519 -0.0676 360 VAL B C 3545 O O . VAL B 137 ? 0.3923 0.8027 0.4126 0.0410 -0.0540 -0.0506 360 VAL B O 3546 C CB . VAL B 137 ? 0.3880 0.7258 0.4256 0.0246 -0.0441 -0.0731 360 VAL B CB 3547 C CG1 . VAL B 137 ? 0.4407 0.8102 0.4898 0.0216 -0.0427 -0.0972 360 VAL B CG1 3548 C CG2 . VAL B 137 ? 0.4465 0.7400 0.4896 0.0192 -0.0393 -0.0725 360 VAL B CG2 3549 N N . VAL B 138 ? 0.3367 0.7706 0.3769 0.0359 -0.0530 -0.0862 361 VAL B N 3550 C CA . VAL B 138 ? 0.3508 0.8369 0.3861 0.0431 -0.0576 -0.0856 361 VAL B CA 3551 C C . VAL B 138 ? 0.5735 1.1004 0.6181 0.0407 -0.0575 -0.1124 361 VAL B C 3552 O O . VAL B 138 ? 0.5924 1.1073 0.6516 0.0328 -0.0532 -0.1341 361 VAL B O 3553 C CB . VAL B 138 ? 0.4438 0.9453 0.4800 0.0481 -0.0605 -0.0814 361 VAL B CB 3554 C CG1 . VAL B 138 ? 0.5296 0.9978 0.5580 0.0514 -0.0605 -0.0543 361 VAL B CG1 3555 C CG2 . VAL B 138 ? 0.5955 1.0922 0.6476 0.0418 -0.0582 -0.1057 361 VAL B CG2 3556 N N . ASP B 139 ? 0.6947 1.2720 0.7324 0.0480 -0.0617 -0.1101 362 ASP B N 3557 C CA . ASP B 139 ? 0.6584 1.2859 0.7046 0.0471 -0.0625 -0.1364 362 ASP B CA 3558 C C . ASP B 139 ? 0.5964 1.2191 0.6471 0.0410 -0.0592 -0.1490 362 ASP B C 3559 O O . ASP B 139 ? 0.4745 1.1263 0.5394 0.0367 -0.0576 -0.1772 362 ASP B O 3560 C CB . ASP B 139 ? 0.7271 1.3679 0.7916 0.0426 -0.0613 -0.1638 362 ASP B CB 3561 C CG . ASP B 139 ? 0.6393 1.3228 0.7000 0.0508 -0.0665 -0.1608 362 ASP B CG 3562 O OD1 . ASP B 139 ? 0.6297 1.3031 0.6995 0.0491 -0.0660 -0.1678 362 ASP B OD1 3563 O OD2 . ASP B 139 ? 0.4853 1.2135 0.5344 0.0596 -0.0708 -0.1506 362 ASP B OD2 3564 N N . LEU B 140 ? 0.6025 1.1895 0.6426 0.0408 -0.0579 -0.1288 363 LEU B N 3565 C CA . LEU B 140 ? 0.7232 1.3039 0.7662 0.0357 -0.0549 -0.1375 363 LEU B CA 3566 C C . LEU B 140 ? 0.8660 1.5011 0.9029 0.0407 -0.0580 -0.1419 363 LEU B C 3567 O O . LEU B 140 ? 0.9121 1.5769 0.9354 0.0503 -0.0623 -0.1238 363 LEU B O 3568 C CB . LEU B 140 ? 0.6781 1.2092 0.7103 0.0349 -0.0532 -0.1136 363 LEU B CB 3569 C CG . LEU B 140 ? 0.6978 1.1759 0.7382 0.0282 -0.0489 -0.1141 363 LEU B CG 3570 C CD1 . LEU B 140 ? 0.5886 1.0251 0.6162 0.0298 -0.0487 -0.0875 363 LEU B CD1 3571 C CD2 . LEU B 140 ? 0.7617 1.2307 0.8205 0.0193 -0.0431 -0.1386 363 LEU B CD2 3572 N N . ALA B 141 ? 0.8821 1.5315 0.9308 0.0346 -0.0552 -0.1658 364 ALA B N 3573 C CA . ALA B 141 ? 0.8226 1.5214 0.8660 0.0385 -0.0575 -0.1714 364 ALA B CA 3574 C C . ALA B 141 ? 0.9803 1.6517 1.0136 0.0375 -0.0558 -0.1553 364 ALA B C 3575 O O . ALA B 141 ? 0.9438 1.5822 0.9875 0.0291 -0.0510 -0.1656 364 ALA B O 3576 C CB . ALA B 141 ? 0.7461 1.4817 0.8108 0.0321 -0.0551 -0.2098 364 ALA B CB 3577 N N . PRO B 142 ? 1.1770 1.8625 1.1916 0.0467 -0.0592 -0.1291 365 PRO B N 3578 C CA . PRO B 142 ? 1.3119 1.9708 1.3153 0.0475 -0.0580 -0.1089 365 PRO B CA 3579 C C . PRO B 142 ? 1.4142 2.0782 1.4246 0.0409 -0.0551 -0.1276 365 PRO B C 3580 O O . PRO B 142 ? 1.3865 2.0788 1.4119 0.0357 -0.0538 -0.1575 365 PRO B O 3581 C CB . PRO B 142 ? 1.3088 2.0050 1.2962 0.0599 -0.0616 -0.0845 365 PRO B CB 3582 C CG . PRO B 142 ? 1.2844 2.0029 1.2723 0.0657 -0.0645 -0.0816 365 PRO B CG 3583 C CD . PRO B 142 ? 1.2387 1.9691 1.2433 0.0578 -0.0640 -0.1161 365 PRO B CD 3584 N N . SER B 143 ? 1.5308 2.1670 1.5322 0.0409 -0.0538 -0.1102 366 SER B N 3585 C CA . SER B 143 ? 1.6331 2.2754 1.6379 0.0362 -0.0514 -0.1223 366 SER B CA 3586 C C . SER B 143 ? 1.6797 2.3069 1.7061 0.0248 -0.0465 -0.1522 366 SER B C 3587 O O . SER B 143 ? 1.7075 2.3560 1.7425 0.0206 -0.0445 -0.1710 366 SER B O 3588 C CB . SER B 143 ? 1.6602 2.3666 1.6588 0.0429 -0.0545 -0.1270 366 SER B CB 3589 O OG . SER B 143 ? 1.6634 2.3809 1.6440 0.0541 -0.0573 -0.0956 366 SER B OG 3590 N N . LYS B 144 ? 1.6563 2.2471 1.6930 0.0199 -0.0439 -0.1561 367 LYS B N 3591 C CA . LYS B 144 ? 1.6123 2.1827 1.6722 0.0097 -0.0375 -0.1802 367 LYS B CA 3592 C C . LYS B 144 ? 1.5728 2.0849 1.6313 0.0057 -0.0337 -0.1653 367 LYS B C 3593 O O . LYS B 144 ? 1.5768 2.0786 1.6267 0.0058 -0.0335 -0.1549 367 LYS B O 3594 C CB . LYS B 144 ? 1.5687 2.1410 1.6449 0.0070 -0.0358 -0.1966 367 LYS B CB 3595 C CG . LYS B 144 ? 1.5319 2.1642 1.6159 0.0091 -0.0384 -0.2191 367 LYS B CG 3596 C CD . LYS B 144 ? 1.5218 2.1502 1.6238 0.0058 -0.0359 -0.2354 367 LYS B CD 3597 C CE . LYS B 144 ? 1.5491 2.2391 1.6566 0.0091 -0.0396 -0.2557 367 LYS B CE 3598 N NZ . LYS B 144 ? 1.5660 2.2502 1.6855 0.0080 -0.0387 -0.2644 367 LYS B NZ 3599 N N . GLY B 145 ? 1.5004 1.9765 1.5676 0.0024 -0.0305 -0.1644 368 GLY B N 3600 C CA . GLY B 145 ? 1.4236 1.8474 1.4891 -0.0004 -0.0271 -0.1496 368 GLY B CA 3601 C C . GLY B 145 ? 1.3512 1.7528 1.3945 0.0059 -0.0318 -0.1201 368 GLY B C 3602 O O . GLY B 145 ? 1.3377 1.7522 1.3649 0.0114 -0.0358 -0.1050 368 GLY B O 3603 N N . THR B 146 ? 1.2692 1.6384 1.3138 0.0054 -0.0306 -0.1122 369 THR B N 3604 C CA . THR B 146 ? 1.1575 1.5034 1.1850 0.0104 -0.0340 -0.0865 369 THR B CA 3605 C C . THR B 146 ? 1.0572 1.3852 1.0878 0.0107 -0.0338 -0.0837 369 THR B C 3606 O O . THR B 146 ? 1.1456 1.4600 1.1647 0.0150 -0.0367 -0.0650 369 THR B O 3607 C CB . THR B 146 ? 1.1670 1.4768 1.1888 0.0087 -0.0320 -0.0731 369 THR B CB 3608 O OG1 . THR B 146 ? 1.2098 1.5362 1.2263 0.0094 -0.0328 -0.0726 369 THR B OG1 3609 C CG2 . THR B 146 ? 1.1287 1.4138 1.1372 0.0130 -0.0345 -0.0498 369 THR B CG2 3610 N N . VAL B 147 ? 0.8823 1.2109 0.9306 0.0060 -0.0298 -0.1028 370 VAL B N 3611 C CA . VAL B 147 ? 0.7007 1.0092 0.7537 0.0056 -0.0286 -0.1010 370 VAL B CA 3612 C C . VAL B 147 ? 0.6070 0.8720 0.6541 0.0048 -0.0266 -0.0843 370 VAL B C 3613 O O . VAL B 147 ? 0.5174 0.7714 0.5488 0.0086 -0.0301 -0.0653 370 VAL B O 3614 C CB . VAL B 147 ? 0.5825 0.9092 0.6249 0.0116 -0.0343 -0.0920 370 VAL B CB 3615 C CG1 . VAL B 147 ? 0.5605 0.8670 0.6091 0.0107 -0.0328 -0.0920 370 VAL B CG1 3616 C CG2 . VAL B 147 ? 0.5995 0.9751 0.6453 0.0137 -0.0370 -0.1068 370 VAL B CG2 3617 N N . GLN B 148 ? 0.5881 0.8302 0.6496 0.0003 -0.0203 -0.0916 371 GLN B N 3618 C CA . GLN B 148 ? 0.5737 0.7790 0.6298 0.0003 -0.0184 -0.0764 371 GLN B CA 3619 C C . GLN B 148 ? 0.4879 0.6806 0.5440 0.0018 -0.0187 -0.0717 371 GLN B C 3620 O O . GLN B 148 ? 0.4424 0.6433 0.5121 0.0001 -0.0161 -0.0848 371 GLN B O 3621 C CB . GLN B 148 ? 0.7233 0.9108 0.7941 -0.0041 -0.0108 -0.0825 371 GLN B CB 3622 C CG . GLN B 148 ? 0.9269 1.0856 0.9870 -0.0030 -0.0105 -0.0651 371 GLN B CG 3623 C CD . GLN B 148 ? 1.0446 1.2065 1.0840 0.0007 -0.0174 -0.0507 371 GLN B CD 3624 O OE1 . GLN B 148 ? 1.0747 1.2557 1.1099 0.0011 -0.0199 -0.0533 371 GLN B OE1 3625 N NE2 . GLN B 148 ? 1.0087 1.1528 1.0370 0.0034 -0.0200 -0.0359 371 GLN B NE2 3626 N N . LEU B 149 ? 0.4657 0.6394 0.5077 0.0047 -0.0218 -0.0539 372 LEU B N 3627 C CA . LEU B 149 ? 0.4421 0.6040 0.4826 0.0063 -0.0226 -0.0482 372 LEU B CA 3628 C C . LEU B 149 ? 0.4335 0.5644 0.4704 0.0060 -0.0201 -0.0368 372 LEU B C 3629 O O . LEU B 149 ? 0.4657 0.5876 0.4913 0.0076 -0.0226 -0.0247 372 LEU B O 3630 C CB . LEU B 149 ? 0.5041 0.6800 0.5324 0.0109 -0.0290 -0.0381 372 LEU B CB 3631 C CG . LEU B 149 ? 0.4466 0.6217 0.4756 0.0128 -0.0305 -0.0361 372 LEU B CG 3632 C CD1 . LEU B 149 ? 0.3954 0.5968 0.4175 0.0176 -0.0359 -0.0304 372 LEU B CD1 3633 C CD2 . LEU B 149 ? 0.4019 0.5474 0.4263 0.0130 -0.0297 -0.0238 372 LEU B CD2 3634 N N . THR B 150 ? 0.3725 0.4892 0.4205 0.0042 -0.0148 -0.0412 373 THR B N 3635 C CA . THR B 150 ? 0.3488 0.4406 0.3945 0.0045 -0.0117 -0.0311 373 THR B CA 3636 C C . THR B 150 ? 0.3513 0.4315 0.3980 0.0057 -0.0109 -0.0276 373 THR B C 3637 O O . THR B 150 ? 0.3223 0.4069 0.3806 0.0047 -0.0080 -0.0367 373 THR B O 3638 C CB . THR B 150 ? 0.4226 0.5069 0.4820 0.0021 -0.0041 -0.0362 373 THR B CB 3639 O OG1 . THR B 150 ? 0.4249 0.5197 0.4834 0.0008 -0.0050 -0.0398 373 THR B OG1 3640 C CG2 . THR B 150 ? 0.4435 0.5066 0.4990 0.0037 -0.0013 -0.0241 373 THR B CG2 3641 N N . TRP B 151 ? 0.3544 0.4209 0.3902 0.0076 -0.0131 -0.0155 374 TRP B N 3642 C CA . TRP B 151 ? 0.3113 0.3676 0.3470 0.0088 -0.0125 -0.0118 374 TRP B CA 3643 C C . TRP B 151 ? 0.3598 0.4013 0.4007 0.0091 -0.0063 -0.0083 374 TRP B C 3644 O O . TRP B 151 ? 0.3269 0.3633 0.3654 0.0094 -0.0047 -0.0036 374 TRP B O 3645 C CB . TRP B 151 ? 0.3044 0.3572 0.3277 0.0108 -0.0179 -0.0019 374 TRP B CB 3646 C CG . TRP B 151 ? 0.3703 0.4376 0.3899 0.0119 -0.0231 -0.0015 374 TRP B CG 3647 C CD1 . TRP B 151 ? 0.4197 0.4969 0.4331 0.0131 -0.0265 0.0028 374 TRP B CD1 3648 C CD2 . TRP B 151 ? 0.3279 0.4029 0.3503 0.0128 -0.0249 -0.0039 374 TRP B CD2 3649 N NE1 . TRP B 151 ? 0.3844 0.4763 0.3969 0.0152 -0.0301 0.0044 374 TRP B NE1 3650 C CE2 . TRP B 151 ? 0.3085 0.3995 0.3263 0.0150 -0.0294 0.0000 374 TRP B CE2 3651 C CE3 . TRP B 151 ? 0.3229 0.3935 0.3519 0.0123 -0.0229 -0.0085 374 TRP B CE3 3652 C CZ2 . TRP B 151 ? 0.3367 0.4405 0.3561 0.0170 -0.0320 0.0001 374 TRP B CZ2 3653 C CZ3 . TRP B 151 ? 0.3570 0.4388 0.3873 0.0136 -0.0259 -0.0098 374 TRP B CZ3 3654 C CH2 . TRP B 151 ? 0.3528 0.4516 0.3783 0.0161 -0.0305 -0.0053 374 TRP B CH2 3655 N N . SER B 152 ? 0.3158 0.3515 0.3636 0.0096 -0.0029 -0.0095 375 SER B N 3656 C CA . SER B 152 ? 0.3385 0.3624 0.3904 0.0113 0.0031 -0.0034 375 SER B CA 3657 C C . SER B 152 ? 0.3686 0.3871 0.4210 0.0126 0.0038 -0.0015 375 SER B C 3658 O O . SER B 152 ? 0.3471 0.3701 0.4011 0.0117 0.0011 -0.0071 375 SER B O 3659 C CB . SER B 152 ? 0.4485 0.4717 0.5183 0.0105 0.0119 -0.0081 375 SER B CB 3660 O OG . SER B 152 ? 0.3799 0.4089 0.4650 0.0085 0.0152 -0.0196 375 SER B OG 3661 N N . ARG B 153 ? 0.3436 0.3544 0.3946 0.0152 0.0074 0.0066 376 ARG B N 3662 C CA . ARG B 153 ? 0.3474 0.3536 0.3994 0.0169 0.0092 0.0089 376 ARG B CA 3663 C C . ARG B 153 ? 0.4433 0.4455 0.5112 0.0187 0.0192 0.0103 376 ARG B C 3664 O O . ARG B 153 ? 0.4168 0.4182 0.4916 0.0202 0.0251 0.0145 376 ARG B O 3665 C CB . ARG B 153 ? 0.3927 0.3971 0.4313 0.0190 0.0057 0.0169 376 ARG B CB 3666 C CG . ARG B 153 ? 0.3575 0.3645 0.3851 0.0173 -0.0027 0.0158 376 ARG B CG 3667 C CD . ARG B 153 ? 0.3563 0.3635 0.3742 0.0188 -0.0051 0.0215 376 ARG B CD 3668 N NE . ARG B 153 ? 0.4330 0.4393 0.4504 0.0207 -0.0034 0.0235 376 ARG B NE 3669 C CZ . ARG B 153 ? 0.4811 0.4909 0.4921 0.0222 -0.0049 0.0260 376 ARG B CZ 3670 N NH1 . ARG B 153 ? 0.4571 0.4698 0.4624 0.0218 -0.0081 0.0269 376 ARG B NH1 3671 N NH2 . ARG B 153 ? 0.4790 0.4908 0.4901 0.0239 -0.0032 0.0267 376 ARG B NH2 3672 N N . ALA B 154 ? 0.3761 0.3759 0.4515 0.0190 0.0220 0.0077 377 ALA B N 3673 C CA . ALA B 154 ? 0.4711 0.4669 0.5647 0.0213 0.0328 0.0097 377 ALA B CA 3674 C C . ALA B 154 ? 0.5186 0.5129 0.6087 0.0263 0.0376 0.0234 377 ALA B C 3675 O O . ALA B 154 ? 0.5122 0.5050 0.6177 0.0291 0.0476 0.0289 377 ALA B O 3676 C CB . ALA B 154 ? 0.4881 0.4816 0.5886 0.0209 0.0341 0.0049 377 ALA B CB 3677 N N . SER B 155 ? 0.4586 0.4552 0.5303 0.0277 0.0310 0.0288 378 SER B N 3678 C CA . SER B 155 ? 0.4845 0.4848 0.5510 0.0329 0.0344 0.0407 378 SER B CA 3679 C C . SER B 155 ? 0.5391 0.5424 0.6050 0.0343 0.0362 0.0462 378 SER B C 3680 O O . SER B 155 ? 0.5635 0.5721 0.6290 0.0395 0.0411 0.0570 378 SER B O 3681 C CB . SER B 155 ? 0.5388 0.5436 0.5877 0.0333 0.0267 0.0415 378 SER B CB 3682 O OG . SER B 155 ? 0.5116 0.5176 0.5492 0.0300 0.0182 0.0371 378 SER B OG 3683 N N . GLY B 156 ? 0.4863 0.4880 0.5522 0.0301 0.0324 0.0390 379 GLY B N 3684 C CA . GLY B 156 ? 0.5143 0.5181 0.5793 0.0307 0.0334 0.0430 379 GLY B CA 3685 C C . GLY B 156 ? 0.4795 0.4880 0.5250 0.0309 0.0248 0.0453 379 GLY B C 3686 O O . GLY B 156 ? 0.4004 0.4112 0.4426 0.0313 0.0243 0.0483 379 GLY B O 3687 N N . LYS B 157 ? 0.4263 0.4363 0.4607 0.0303 0.0187 0.0431 380 LYS B N 3688 C CA . LYS B 157 ? 0.4697 0.4843 0.4895 0.0299 0.0112 0.0430 380 LYS B CA 3689 C C . LYS B 157 ? 0.5065 0.5185 0.5226 0.0255 0.0051 0.0368 380 LYS B C 3690 O O . LYS B 157 ? 0.5030 0.5118 0.5251 0.0226 0.0049 0.0312 380 LYS B O 3691 C CB . LYS B 157 ? 0.4948 0.5121 0.5085 0.0302 0.0076 0.0409 380 LYS B CB 3692 C CG . LYS B 157 ? 0.6065 0.6315 0.6202 0.0354 0.0126 0.0478 380 LYS B CG 3693 C CD . LYS B 157 ? 0.6543 0.6823 0.6635 0.0348 0.0090 0.0435 380 LYS B CD 3694 C CE . LYS B 157 ? 0.7641 0.8054 0.7704 0.0403 0.0126 0.0495 380 LYS B CE 3695 N NZ . LYS B 157 ? 0.7647 0.8045 0.7799 0.0440 0.0207 0.0560 380 LYS B NZ 3696 N N . PRO B 158 ? 0.5227 0.5381 0.5297 0.0253 0.0006 0.0378 381 PRO B N 3697 C CA . PRO B 158 ? 0.4984 0.5125 0.5024 0.0221 -0.0041 0.0342 381 PRO B CA 3698 C C . PRO B 158 ? 0.4094 0.4221 0.4126 0.0193 -0.0091 0.0291 381 PRO B C 3699 O O . PRO B 158 ? 0.3902 0.4028 0.3924 0.0195 -0.0107 0.0281 381 PRO B O 3700 C CB . PRO B 158 ? 0.4997 0.5181 0.4956 0.0232 -0.0071 0.0366 381 PRO B CB 3701 C CG . PRO B 158 ? 0.5989 0.6233 0.5944 0.0275 -0.0029 0.0421 381 PRO B CG 3702 C CD . PRO B 158 ? 0.6057 0.6288 0.6060 0.0286 0.0002 0.0422 381 PRO B CD 3703 N N . VAL B 159 ? 0.3832 0.3966 0.3876 0.0171 -0.0112 0.0261 382 VAL B N 3704 C CA . VAL B 159 ? 0.4299 0.4452 0.4332 0.0156 -0.0159 0.0237 382 VAL B CA 3705 C C . VAL B 159 ? 0.4243 0.4411 0.4224 0.0154 -0.0198 0.0263 382 VAL B C 3706 O O . VAL B 159 ? 0.3736 0.3906 0.3689 0.0155 -0.0195 0.0281 382 VAL B O 3707 C CB . VAL B 159 ? 0.3859 0.4061 0.3941 0.0141 -0.0159 0.0188 382 VAL B CB 3708 C CG1 . VAL B 159 ? 0.3691 0.3878 0.3859 0.0140 -0.0114 0.0146 382 VAL B CG1 3709 C CG2 . VAL B 159 ? 0.4477 0.4717 0.4556 0.0132 -0.0155 0.0179 382 VAL B CG2 3710 N N . ASN B 160 ? 0.3240 0.3417 0.3230 0.0151 -0.0228 0.0269 383 ASN B N 3711 C CA . ASN B 160 ? 0.4003 0.4196 0.3986 0.0151 -0.0252 0.0299 383 ASN B CA 3712 C C . ASN B 160 ? 0.3731 0.3981 0.3702 0.0150 -0.0266 0.0314 383 ASN B C 3713 O O . ASN B 160 ? 0.3934 0.4231 0.3911 0.0146 -0.0261 0.0284 383 ASN B O 3714 C CB . ASN B 160 ? 0.3726 0.3916 0.3766 0.0152 -0.0265 0.0311 383 ASN B CB 3715 C CG . ASN B 160 ? 0.4631 0.4793 0.4692 0.0150 -0.0255 0.0286 383 ASN B CG 3716 O OD1 . ASN B 160 ? 0.5017 0.5178 0.5035 0.0155 -0.0242 0.0269 383 ASN B OD1 3717 N ND2 . ASN B 160 ? 0.5147 0.5306 0.5290 0.0146 -0.0258 0.0284 383 ASN B ND2 3718 N N . HIS B 161 ? 0.2642 0.5246 0.2465 -0.0608 -0.0428 -0.0135 384 HIS B N 3719 C CA . HIS B 161 ? 0.2364 0.5065 0.2101 -0.0601 -0.0444 -0.0153 384 HIS B CA 3720 C C . HIS B 161 ? 0.3438 0.6014 0.3152 -0.0622 -0.0470 -0.0090 384 HIS B C 3721 O O . HIS B 161 ? 0.3159 0.5617 0.2919 -0.0703 -0.0455 -0.0025 384 HIS B O 3722 C CB . HIS B 161 ? 0.2531 0.5371 0.2202 -0.0650 -0.0384 -0.0154 384 HIS B CB 3723 C CG . HIS B 161 ? 0.2735 0.5644 0.2408 -0.0633 -0.0371 -0.0244 384 HIS B CG 3724 N ND1 . HIS B 161 ? 0.2715 0.5563 0.2449 -0.0635 -0.0341 -0.0260 384 HIS B ND1 3725 C CD2 . HIS B 161 ? 0.2528 0.5552 0.2170 -0.0629 -0.0392 -0.0336 384 HIS B CD2 3726 C CE1 . HIS B 161 ? 0.3605 0.6488 0.3338 -0.0641 -0.0344 -0.0352 384 HIS B CE1 3727 N NE2 . HIS B 161 ? 0.3552 0.6543 0.3243 -0.0647 -0.0378 -0.0405 384 HIS B NE2 3728 N N . SER B 162 ? 0.2599 0.5208 0.2277 -0.0556 -0.0519 -0.0122 385 SER B N 3729 C CA . SER B 162 ? 0.2729 0.5182 0.2376 -0.0572 -0.0548 -0.0072 385 SER B CA 3730 C C . SER B 162 ? 0.3809 0.6455 0.3348 -0.0625 -0.0530 -0.0043 385 SER B C 3731 O O . SER B 162 ? 0.3698 0.6588 0.3185 -0.0612 -0.0507 -0.0085 385 SER B O 3732 C CB . SER B 162 ? 0.3186 0.5521 0.2905 -0.0422 -0.0623 -0.0127 385 SER B CB 3733 O OG . SER B 162 ? 0.3399 0.6016 0.3165 -0.0324 -0.0659 -0.0220 385 SER B OG 3734 N N . THR B 163 ? 0.2647 0.5178 0.2168 -0.0696 -0.0545 0.0030 386 THR B N 3735 C CA . THR B 163 ? 0.2543 0.5290 0.1978 -0.0743 -0.0536 0.0077 386 THR B CA 3736 C C . THR B 163 ? 0.3167 0.5892 0.2536 -0.0633 -0.0594 0.0021 386 THR B C 3737 O O . THR B 163 ? 0.4873 0.7325 0.4297 -0.0549 -0.0642 -0.0017 386 THR B O 3738 C CB . THR B 163 ? 0.4114 0.6826 0.3633 -0.0912 -0.0530 0.0204 386 THR B CB 3739 O OG1 . THR B 163 ? 0.4836 0.7189 0.4423 -0.0964 -0.0577 0.0216 386 THR B OG1 3740 C CG2 . THR B 163 ? 0.4190 0.7035 0.3853 -0.0988 -0.0481 0.0249 386 THR B CG2 3741 N N . ARG B 164 ? 0.2851 0.5866 0.2123 -0.0616 -0.0591 0.0012 387 ARG B N 3742 C CA . ARG B 164 ? 0.3238 0.6310 0.2478 -0.0488 -0.0651 -0.0062 387 ARG B CA 3743 C C . ARG B 164 ? 0.3918 0.7188 0.3039 -0.0559 -0.0643 0.0016 387 ARG B C 3744 O O . ARG B 164 ? 0.3768 0.7332 0.2828 -0.0634 -0.0594 0.0065 387 ARG B O 3745 C CB . ARG B 164 ? 0.4228 0.7572 0.3531 -0.0352 -0.0681 -0.0213 387 ARG B CB 3746 C CG . ARG B 164 ? 0.4786 0.8261 0.4161 -0.0182 -0.0763 -0.0320 387 ARG B CG 3747 C CD . ARG B 164 ? 0.4215 0.8084 0.3727 -0.0099 -0.0805 -0.0477 387 ARG B CD 3748 N NE . ARG B 164 ? 0.4721 0.8891 0.4302 0.0033 -0.0876 -0.0584 387 ARG B NE 3749 C CZ . ARG B 164 ? 0.5499 0.9840 0.5381 0.0222 -0.0980 -0.0733 387 ARG B CZ 3750 N NH1 . ARG B 164 ? 0.5780 1.0017 0.5923 0.0292 -0.1024 -0.0775 387 ARG B NH1 3751 N NH2 . ARG B 164 ? 0.4890 0.9556 0.4860 0.0349 -0.1047 -0.0838 387 ARG B NH2 3752 N N . LYS B 165 ? 0.3802 0.6893 0.2905 -0.0527 -0.0692 0.0030 388 LYS B N 3753 C CA . LYS B 165 ? 0.4095 0.7355 0.3097 -0.0603 -0.0694 0.0119 388 LYS B CA 3754 C C . LYS B 165 ? 0.4212 0.7507 0.3181 -0.0424 -0.0758 0.0013 388 LYS B C 3755 O O . LYS B 165 ? 0.4521 0.7467 0.3574 -0.0299 -0.0811 -0.0056 388 LYS B O 3756 C CB . LYS B 165 ? 0.5412 0.8370 0.4472 -0.0795 -0.0699 0.0263 388 LYS B CB 3757 C CG . LYS B 165 ? 0.8240 1.1411 0.7256 -0.0924 -0.0705 0.0393 388 LYS B CG 3758 C CD . LYS B 165 ? 1.0037 1.2896 0.9202 -0.1144 -0.0737 0.0518 388 LYS B CD 3759 C CE . LYS B 165 ? 1.1067 1.4259 1.0293 -0.1325 -0.0742 0.0691 388 LYS B CE 3760 N NZ . LYS B 165 ? 1.1531 1.5175 1.0851 -0.1369 -0.0682 0.0780 388 LYS B NZ 3761 N N . GLU B 166 ? 0.4415 0.8145 0.3288 -0.0392 -0.0756 -0.0007 389 GLU B N 3762 C CA . GLU B 166 ? 0.4346 0.8194 0.3211 -0.0217 -0.0821 -0.0111 389 GLU B CA 3763 C C . GLU B 166 ? 0.4566 0.8476 0.3294 -0.0331 -0.0817 0.0023 389 GLU B C 3764 O O . GLU B 166 ? 0.4305 0.8523 0.2947 -0.0485 -0.0765 0.0148 389 GLU B O 3765 C CB . GLU B 166 ? 0.5738 1.0111 0.4643 -0.0087 -0.0839 -0.0270 389 GLU B CB 3766 C CG . GLU B 166 ? 0.7118 1.1490 0.6226 0.0015 -0.0866 -0.0412 389 GLU B CG 3767 C CD . GLU B 166 ? 0.8686 1.3589 0.7927 0.0132 -0.0919 -0.0601 389 GLU B CD 3768 O OE1 . GLU B 166 ? 0.8647 1.3856 0.7877 0.0228 -0.0962 -0.0667 389 GLU B OE1 3769 O OE2 . GLU B 166 ? 0.9939 1.4968 0.9322 0.0117 -0.0924 -0.0693 389 GLU B OE2 3770 N N . GLU B 167 ? 0.4324 0.7931 0.3059 -0.0248 -0.0875 0.0003 390 GLU B N 3771 C CA . GLU B 167 ? 0.5883 0.9508 0.4505 -0.0369 -0.0884 0.0131 390 GLU B CA 3772 C C . GLU B 167 ? 0.5420 0.9152 0.4013 -0.0146 -0.0948 0.0008 390 GLU B C 3773 O O . GLU B 167 ? 0.5874 0.9272 0.4586 0.0069 -0.1007 -0.0129 390 GLU B O 3774 C CB . GLU B 167 ? 0.7390 1.0432 0.6068 -0.0561 -0.0899 0.0255 390 GLU B CB 3775 C CG . GLU B 167 ? 0.9554 1.2487 0.8335 -0.0764 -0.0852 0.0354 390 GLU B CG 3776 C CD . GLU B 167 ? 1.0948 1.3362 0.9847 -0.0982 -0.0885 0.0454 390 GLU B CD 3777 O OE1 . GLU B 167 ? 1.0841 1.2904 0.9855 -0.1024 -0.0882 0.0426 390 GLU B OE1 3778 O OE2 . GLU B 167 ? 1.1792 1.4157 1.0686 -0.1126 -0.0921 0.0555 390 GLU B OE2 3779 N N . LYS B 168 ? 0.4683 0.8904 0.3147 -0.0180 -0.0938 0.0058 391 LYS B N 3780 C CA . LYS B 168 ? 0.5228 0.9600 0.3659 0.0015 -0.0999 -0.0044 391 LYS B CA 3781 C C . LYS B 168 ? 0.5363 0.9217 0.3747 -0.0081 -0.1033 0.0065 391 LYS B C 3782 O O . LYS B 168 ? 0.6114 0.9906 0.4437 -0.0366 -0.1005 0.0270 391 LYS B O 3783 C CB . LYS B 168 ? 0.5726 1.0840 0.4027 -0.0005 -0.0974 -0.0026 391 LYS B CB 3784 C CG . LYS B 168 ? 0.7608 1.3231 0.5981 0.0107 -0.0962 -0.0188 391 LYS B CG 3785 C CD . LYS B 168 ? 0.9364 1.5654 0.7586 0.0014 -0.0916 -0.0128 391 LYS B CD 3786 C CE . LYS B 168 ? 1.0645 1.7425 0.8965 0.0125 -0.0925 -0.0338 391 LYS B CE 3787 N NZ . LYS B 168 ? 1.1360 1.8364 0.9882 0.0407 -0.1029 -0.0598 391 LYS B NZ 3788 N N . GLN B 169 ? 0.5056 0.8530 0.3520 0.0158 -0.1102 -0.0077 392 GLN B N 3789 C CA . GLN B 169 ? 0.4593 0.7442 0.3026 0.0076 -0.1142 -0.0005 392 GLN B CA 3790 C C . GLN B 169 ? 0.5131 0.8273 0.3448 0.0155 -0.1177 -0.0009 392 GLN B C 3791 O O . GLN B 169 ? 0.5158 0.8937 0.3462 0.0353 -0.1184 -0.0122 392 GLN B O 3792 C CB . GLN B 169 ? 0.4471 0.6607 0.3072 0.0303 -0.1195 -0.0151 392 GLN B CB 3793 C CG . GLN B 169 ? 0.4598 0.6485 0.3324 0.0259 -0.1164 -0.0160 392 GLN B CG 3794 C CD . GLN B 169 ? 0.5715 0.7427 0.4381 -0.0139 -0.1112 0.0039 392 GLN B CD 3795 O OE1 . GLN B 169 ? 0.6457 0.8333 0.5168 -0.0233 -0.1063 0.0071 392 GLN B OE1 3796 N NE2 . GLN B 169 ? 0.5509 0.6911 0.4121 -0.0376 -0.1133 0.0166 392 GLN B NE2 3797 N N . ARG B 170 ? 0.5591 0.8276 0.3845 -0.0017 -0.1205 0.0108 393 ARG B N 3798 C CA . ARG B 170 ? 0.5897 0.8813 0.4030 0.0021 -0.1240 0.0131 393 ARG B CA 3799 C C . ARG B 170 ? 0.5754 0.8727 0.3955 0.0464 -0.1300 -0.0118 393 ARG B C 3800 O O . ARG B 170 ? 0.6167 0.9746 0.4291 0.0592 -0.1314 -0.0164 393 ARG B O 3801 C CB . ARG B 170 ? 0.7075 0.9369 0.5183 -0.0260 -0.1276 0.0286 393 ARG B CB 3802 C CG . ARG B 170 ? 0.8417 1.1022 0.6514 -0.0697 -0.1243 0.0561 393 ARG B CG 3803 C CD . ARG B 170 ? 0.9682 1.2172 0.7735 -0.0909 -0.1295 0.0707 393 ARG B CD 3804 N NE . ARG B 170 ? 1.0517 1.2056 0.8684 -0.1080 -0.1359 0.0708 393 ARG B NE 3805 C CZ . ARG B 170 ? 1.1150 1.2410 0.9345 -0.1344 -0.1421 0.0837 393 ARG B CZ 3806 N NH1 . ARG B 170 ? 1.0681 1.2583 0.8795 -0.1452 -0.1425 0.0993 393 ARG B NH1 3807 N NH2 . ARG B 170 ? 1.1681 1.2015 1.0000 -0.1513 -0.1484 0.0809 393 ARG B NH2 3808 N N . ASN B 171 ? 0.5901 0.8279 0.4288 0.0712 -0.1343 -0.0280 394 ASN B N 3809 C CA . ASN B 171 ? 0.6204 0.8621 0.4772 0.1175 -0.1418 -0.0524 394 ASN B CA 3810 C C . ASN B 171 ? 0.6310 0.9561 0.5057 0.1420 -0.1427 -0.0693 394 ASN B C 3811 O O . ASN B 171 ? 0.5386 0.8785 0.4413 0.1822 -0.1506 -0.0917 394 ASN B O 3812 C CB . ASN B 171 ? 0.5802 0.7267 0.4568 0.1382 -0.1471 -0.0628 394 ASN B CB 3813 C CG . ASN B 171 ? 0.5153 0.6332 0.4046 0.1310 -0.1437 -0.0612 394 ASN B CG 3814 O OD1 . ASN B 171 ? 0.4950 0.6708 0.3844 0.1207 -0.1389 -0.0583 394 ASN B OD1 3815 N ND2 . ASN B 171 ? 0.5093 0.5362 0.4100 0.1370 -0.1464 -0.0638 394 ASN B ND2 3816 N N . GLY B 172 ? 0.5396 0.9193 0.4030 0.1174 -0.1356 -0.0591 395 GLY B N 3817 C CA . GLY B 172 ? 0.5220 0.9828 0.4003 0.1328 -0.1365 -0.0745 395 GLY B CA 3818 C C . GLY B 172 ? 0.6473 1.0965 0.5518 0.1417 -0.1373 -0.0842 395 GLY B C 3819 O O . GLY B 172 ? 0.6974 1.2088 0.6175 0.1482 -0.1384 -0.0963 395 GLY B O 3820 N N . THR B 173 ? 0.5734 0.9429 0.4841 0.1404 -0.1374 -0.0793 396 THR B N 3821 C CA . THR B 173 ? 0.6710 1.0260 0.6073 0.1493 -0.1384 -0.0866 396 THR B CA 3822 C C . THR B 173 ? 0.5984 0.9659 0.5178 0.1152 -0.1290 -0.0718 396 THR B C 3823 O O . THR B 173 ? 0.5267 0.9072 0.4176 0.0854 -0.1219 -0.0546 396 THR B O 3824 C CB . THR B 173 ? 0.7200 0.9844 0.6700 0.1617 -0.1416 -0.0867 396 THR B CB 3825 O OG1 . THR B 173 ? 0.7979 1.0032 0.7195 0.1260 -0.1346 -0.0661 396 THR B OG1 3826 C CG2 . THR B 173 ? 0.8017 1.0413 0.7684 0.1970 -0.1506 -0.1004 396 THR B CG2 3827 N N . LEU B 174 ? 0.4443 0.8097 0.3856 0.1214 -0.1296 -0.0785 397 LEU B N 3828 C CA . LEU B 174 ? 0.4228 0.7919 0.3517 0.0931 -0.1212 -0.0664 397 LEU B CA 3829 C C . LEU B 174 ? 0.4411 0.7443 0.3807 0.0919 -0.1206 -0.0622 397 LEU B C 3830 O O . LEU B 174 ? 0.5472 0.8293 0.5162 0.1192 -0.1276 -0.0744 397 LEU B O 3831 C CB . LEU B 174 ? 0.3947 0.8326 0.3393 0.0980 -0.1222 -0.0792 397 LEU B CB 3832 C CG . LEU B 174 ? 0.5270 0.9746 0.4597 0.0717 -0.1136 -0.0694 397 LEU B CG 3833 C CD1 . LEU B 174 ? 0.6010 1.0627 0.5000 0.0438 -0.1047 -0.0511 397 LEU B CD1 3834 C CD2 . LEU B 174 ? 0.6563 1.1612 0.6127 0.0801 -0.1175 -0.0868 397 LEU B CD2 3835 N N . THR B 175 ? 0.4465 0.7203 0.3666 0.0613 -0.1128 -0.0449 398 THR B N 3836 C CA . THR B 175 ? 0.3944 0.6166 0.3243 0.0568 -0.1114 -0.0414 398 THR B CA 3837 C C . THR B 175 ? 0.4907 0.7444 0.4178 0.0393 -0.1047 -0.0365 398 THR B C 3838 O O . THR B 175 ? 0.4479 0.7386 0.3581 0.0197 -0.0990 -0.0279 398 THR B O 3839 C CB . THR B 175 ? 0.5109 0.6657 0.4283 0.0359 -0.1096 -0.0281 398 THR B CB 3840 O OG1 . THR B 175 ? 0.5403 0.7125 0.4410 0.0016 -0.1029 -0.0117 398 THR B OG1 3841 C CG2 . THR B 175 ? 0.5349 0.6636 0.4480 0.0467 -0.1151 -0.0309 398 THR B CG2 3842 N N . VAL B 176 ? 0.3936 0.6328 0.3397 0.0483 -0.1058 -0.0419 399 VAL B N 3843 C CA . VAL B 176 ? 0.3828 0.6424 0.3275 0.0329 -0.0999 -0.0380 399 VAL B CA 3844 C C . VAL B 176 ? 0.4554 0.6614 0.4032 0.0233 -0.0973 -0.0302 399 VAL B C 3845 O O . VAL B 176 ? 0.4969 0.6675 0.4627 0.0409 -0.1021 -0.0356 399 VAL B O 3846 C CB . VAL B 176 ? 0.3904 0.6944 0.3593 0.0505 -0.1044 -0.0529 399 VAL B CB 3847 C CG1 . VAL B 176 ? 0.4387 0.7490 0.4073 0.0350 -0.0986 -0.0489 399 VAL B CG1 3848 C CG2 . VAL B 176 ? 0.4482 0.8123 0.4156 0.0555 -0.1069 -0.0624 399 VAL B CG2 3849 N N . THR B 177 ? 0.3211 0.4833 0.3528 0.0129 -0.0115 -0.0220 400 THR B N 3850 C CA . THR B 177 ? 0.2436 0.4059 0.2850 0.0112 -0.0083 -0.0183 400 THR B CA 3851 C C . THR B 177 ? 0.3790 0.5356 0.4202 0.0111 -0.0032 -0.0191 400 THR B C 3852 O O . THR B 177 ? 0.3281 0.4841 0.3650 0.0131 0.0003 -0.0186 400 THR B O 3853 C CB . THR B 177 ? 0.2796 0.4470 0.3238 0.0129 -0.0061 -0.0126 400 THR B CB 3854 O OG1 . THR B 177 ? 0.4118 0.5840 0.4546 0.0137 -0.0114 -0.0120 400 THR B OG1 3855 C CG2 . THR B 177 ? 0.2909 0.4580 0.3450 0.0114 -0.0031 -0.0086 400 THR B CG2 3856 N N . SER B 178 ? 0.3238 0.4757 0.3698 0.0089 -0.0028 -0.0201 401 SER B N 3857 C CA . SER B 178 ? 0.3695 0.5145 0.4151 0.0089 0.0015 -0.0206 401 SER B CA 3858 C C . SER B 178 ? 0.3279 0.4706 0.3800 0.0083 0.0050 -0.0161 401 SER B C 3859 O O . SER B 178 ? 0.3031 0.4463 0.3613 0.0065 0.0039 -0.0150 401 SER B O 3860 C CB . SER B 178 ? 0.3372 0.4756 0.3801 0.0075 -0.0004 -0.0261 401 SER B CB 3861 O OG . SER B 178 ? 0.3286 0.4594 0.3705 0.0078 0.0030 -0.0266 401 SER B OG 3862 N N . THR B 179 ? 0.2536 0.3936 0.3046 0.0098 0.0092 -0.0132 402 THR B N 3863 C CA . THR B 179 ? 0.2284 0.3645 0.2836 0.0099 0.0130 -0.0088 402 THR B CA 3864 C C . THR B 179 ? 0.2693 0.3943 0.3210 0.0102 0.0154 -0.0105 402 THR B C 3865 O O . THR B 179 ? 0.2685 0.3906 0.3158 0.0113 0.0157 -0.0124 402 THR B O 3866 C CB . THR B 179 ? 0.3117 0.4523 0.3677 0.0118 0.0157 -0.0036 402 THR B CB 3867 O OG1 . THR B 179 ? 0.3641 0.5141 0.4226 0.0119 0.0130 -0.0021 402 THR B OG1 3868 C CG2 . THR B 179 ? 0.2816 0.4171 0.3409 0.0123 0.0199 0.0010 402 THR B CG2 3869 N N . LEU B 180 ? 0.2089 0.3272 0.2628 0.0092 0.0171 -0.0099 403 LEU B N 3870 C CA . LEU B 180 ? 0.2324 0.3380 0.2815 0.0098 0.0190 -0.0116 403 LEU B CA 3871 C C . LEU B 180 ? 0.2809 0.3795 0.3303 0.0112 0.0238 -0.0066 403 LEU B C 3872 O O . LEU B 180 ? 0.2622 0.3618 0.3168 0.0108 0.0261 -0.0031 403 LEU B O 3873 C CB . LEU B 180 ? 0.2962 0.3966 0.3450 0.0080 0.0174 -0.0157 403 LEU B CB 3874 C CG . LEU B 180 ? 0.2790 0.3648 0.3214 0.0089 0.0190 -0.0178 403 LEU B CG 3875 C CD1 . LEU B 180 ? 0.3283 0.4120 0.3651 0.0096 0.0160 -0.0225 403 LEU B CD1 3876 C CD2 . LEU B 180 ? 0.2732 0.3526 0.3163 0.0073 0.0195 -0.0195 403 LEU B CD2 3877 N N . PRO B 181 ? 0.2910 0.3819 0.3349 0.0131 0.0252 -0.0060 404 PRO B N 3878 C CA . PRO B 181 ? 0.3159 0.3965 0.3571 0.0150 0.0295 -0.0019 404 PRO B CA 3879 C C . PRO B 181 ? 0.2927 0.3611 0.3307 0.0149 0.0311 -0.0033 404 PRO B C 3880 O O . PRO B 181 ? 0.2740 0.3374 0.3082 0.0142 0.0284 -0.0084 404 PRO B O 3881 C CB . PRO B 181 ? 0.3565 0.4308 0.3918 0.0167 0.0286 -0.0027 404 PRO B CB 3882 C CG . PRO B 181 ? 0.4091 0.4934 0.4464 0.0157 0.0250 -0.0060 404 PRO B CG 3883 C CD . PRO B 181 ? 0.3066 0.3969 0.3465 0.0137 0.0227 -0.0095 404 PRO B CD 3884 N N . VAL B 182 ? 0.2701 0.3334 0.3095 0.0158 0.0359 0.0011 405 VAL B N 3885 C CA . VAL B 182 ? 0.2807 0.3308 0.3162 0.0162 0.0387 0.0004 405 VAL B CA 3886 C C . VAL B 182 ? 0.3821 0.4169 0.4095 0.0196 0.0433 0.0040 405 VAL B C 3887 O O . VAL B 182 ? 0.3047 0.3416 0.3330 0.0212 0.0457 0.0086 405 VAL B O 3888 C CB . VAL B 182 ? 0.2808 0.3370 0.3259 0.0143 0.0409 0.0022 405 VAL B CB 3889 C CG1 . VAL B 182 ? 0.2890 0.3583 0.3406 0.0111 0.0354 -0.0018 405 VAL B CG1 3890 C CG2 . VAL B 182 ? 0.2605 0.3230 0.3130 0.0153 0.0452 0.0090 405 VAL B CG2 3891 N N . GLY B 183 ? 0.3463 0.3646 0.3645 0.0210 0.0445 0.0018 406 GLY B N 3892 C CA . GLY B 183 ? 0.3654 0.3666 0.3738 0.0247 0.0488 0.0051 406 GLY B CA 3893 C C . GLY B 183 ? 0.3851 0.3866 0.3985 0.0258 0.0560 0.0115 406 GLY B C 3894 O O . GLY B 183 ? 0.3813 0.3899 0.4038 0.0237 0.0580 0.0121 406 GLY B O 3895 N N . THR B 184 ? 0.3843 0.3785 0.3926 0.0290 0.0598 0.0163 407 THR B N 3896 C CA . THR B 184 ? 0.4320 0.4272 0.4460 0.0303 0.0671 0.0228 407 THR B CA 3897 C C . THR B 184 ? 0.4596 0.4402 0.4693 0.0318 0.0730 0.0236 407 THR B C 3898 O O . THR B 184 ? 0.4151 0.4026 0.4358 0.0302 0.0769 0.0258 407 THR B O 3899 C CB . THR B 184 ? 0.5116 0.5008 0.5196 0.0339 0.0700 0.0278 407 THR B CB 3900 O OG1 . THR B 184 ? 0.4716 0.4739 0.4835 0.0325 0.0647 0.0270 407 THR B OG1 3901 C CG2 . THR B 184 ? 0.5506 0.5425 0.5660 0.0354 0.0777 0.0347 407 THR B CG2 3902 N N . ARG B 185 ? 0.4938 0.4537 0.4876 0.0348 0.0734 0.0216 408 ARG B N 3903 C CA . ARG B 185 ? 0.4912 0.4347 0.4783 0.0366 0.0791 0.0220 408 ARG B CA 3904 C C . ARG B 185 ? 0.4292 0.3815 0.4255 0.0325 0.0771 0.0180 408 ARG B C 3905 O O . ARG B 185 ? 0.4196 0.3709 0.4222 0.0320 0.0830 0.0204 408 ARG B O 3906 C CB . ARG B 185 ? 0.6691 0.5887 0.6359 0.0405 0.0776 0.0192 408 ARG B CB 3907 C CG . ARG B 185 ? 0.8930 0.7928 0.8498 0.0429 0.0833 0.0191 408 ARG B CG 3908 C CD . ARG B 185 ? 1.0967 0.9737 1.0332 0.0464 0.0794 0.0149 408 ARG B CD 3909 N NE . ARG B 185 ? 1.2352 1.0920 1.1604 0.0491 0.0847 0.0145 408 ARG B NE 3910 C CZ . ARG B 185 ? 1.3430 1.1801 1.2564 0.0541 0.0932 0.0194 408 ARG B CZ 3911 N NH1 . ARG B 185 ? 1.3446 1.1802 1.2565 0.0570 0.0971 0.0249 408 ARG B NH1 3912 N NH2 . ARG B 185 ? 1.3889 1.2074 1.2916 0.0565 0.0982 0.0188 408 ARG B NH2 3913 N N . ASP B 186 ? 0.3900 0.3506 0.3873 0.0296 0.0688 0.0119 409 ASP B N 3914 C CA . ASP B 186 ? 0.3730 0.3418 0.3777 0.0258 0.0657 0.0075 409 ASP B CA 3915 C C . ASP B 186 ? 0.3804 0.3657 0.4027 0.0227 0.0685 0.0110 409 ASP B C 3916 O O . ASP B 186 ? 0.3731 0.3567 0.4006 0.0212 0.0716 0.0110 409 ASP B O 3917 C CB . ASP B 186 ? 0.3292 0.3084 0.3346 0.0233 0.0566 0.0015 409 ASP B CB 3918 C CG . ASP B 186 ? 0.4677 0.4313 0.4583 0.0255 0.0527 -0.0032 409 ASP B CG 3919 O OD1 . ASP B 186 ? 0.4510 0.4218 0.4419 0.0244 0.0461 -0.0070 409 ASP B OD1 3920 O OD2 . ASP B 186 ? 0.5501 0.4938 0.5288 0.0285 0.0561 -0.0030 409 ASP B OD2 3921 N N . TRP B 187 ? 0.3563 0.3575 0.3881 0.0218 0.0669 0.0138 410 TRP B N 3922 C CA . TRP B 187 ? 0.3739 0.3917 0.4231 0.0190 0.0680 0.0169 410 TRP B CA 3923 C C . TRP B 187 ? 0.4282 0.4392 0.4824 0.0208 0.0774 0.0231 410 TRP B C 3924 O O . TRP B 187 ? 0.3647 0.3802 0.4302 0.0184 0.0794 0.0237 410 TRP B O 3925 C CB . TRP B 187 ? 0.3731 0.4073 0.4297 0.0185 0.0648 0.0192 410 TRP B CB 3926 C CG . TRP B 187 ? 0.3023 0.3523 0.3766 0.0159 0.0653 0.0223 410 TRP B CG 3927 C CD1 . TRP B 187 ? 0.3350 0.3889 0.4190 0.0172 0.0710 0.0290 410 TRP B CD1 3928 C CD2 . TRP B 187 ? 0.3465 0.4092 0.4312 0.0118 0.0595 0.0188 410 TRP B CD2 3929 N NE1 . TRP B 187 ? 0.3072 0.3763 0.4080 0.0140 0.0686 0.0298 410 TRP B NE1 3930 C CE2 . TRP B 187 ? 0.3019 0.3761 0.4029 0.0105 0.0614 0.0235 410 TRP B CE2 3931 C CE3 . TRP B 187 ? 0.3176 0.3829 0.3993 0.0091 0.0528 0.0121 410 TRP B CE3 3932 C CZ2 . TRP B 187 ? 0.3421 0.4295 0.4560 0.0067 0.0559 0.0215 410 TRP B CZ2 3933 C CZ3 . TRP B 187 ? 0.3428 0.4206 0.4360 0.0055 0.0480 0.0102 410 TRP B CZ3 3934 C CH2 . TRP B 187 ? 0.3202 0.4088 0.4294 0.0042 0.0492 0.0148 410 TRP B CH2 3935 N N . ILE B 188 ? 0.3969 0.3969 0.4431 0.0251 0.0831 0.0277 411 ILE B N 3936 C CA . ILE B 188 ? 0.3999 0.3936 0.4508 0.0275 0.0930 0.0344 411 ILE B CA 3937 C C . ILE B 188 ? 0.4180 0.3972 0.4654 0.0278 0.0984 0.0337 411 ILE B C 3938 O O . ILE B 188 ? 0.3828 0.3636 0.4418 0.0275 0.1052 0.0381 411 ILE B O 3939 C CB . ILE B 188 ? 0.4821 0.4644 0.5222 0.0326 0.0981 0.0393 411 ILE B CB 3940 C CG1 . ILE B 188 ? 0.4500 0.4487 0.4972 0.0320 0.0941 0.0413 411 ILE B CG1 3941 C CG2 . ILE B 188 ? 0.5376 0.5099 0.5802 0.0359 0.1096 0.0463 411 ILE B CG2 3942 C CD1 . ILE B 188 ? 0.5265 0.5150 0.5630 0.0368 0.0981 0.0458 411 ILE B CD1 3943 N N . GLU B 189 ? 0.3651 0.3306 0.3974 0.0284 0.0952 0.0281 412 GLU B N 3944 C CA . GLU B 189 ? 0.4278 0.3778 0.4544 0.0290 0.1001 0.0270 412 GLU B CA 3945 C C . GLU B 189 ? 0.4857 0.4461 0.5235 0.0238 0.0959 0.0226 412 GLU B C 3946 O O . GLU B 189 ? 0.4797 0.4275 0.5117 0.0239 0.0984 0.0204 412 GLU B O 3947 C CB . GLU B 189 ? 0.4539 0.3806 0.4571 0.0331 0.0995 0.0237 412 GLU B CB 3948 C CG . GLU B 189 ? 0.4775 0.3904 0.4687 0.0386 0.1048 0.0286 412 GLU B CG 3949 C CD . GLU B 189 ? 0.6416 0.5295 0.6090 0.0430 0.1038 0.0256 412 GLU B CD 3950 O OE1 . GLU B 189 ? 0.6279 0.5103 0.5886 0.0417 0.0983 0.0193 412 GLU B OE1 3951 O OE2 . GLU B 189 ? 0.6389 0.5121 0.5941 0.0480 0.1081 0.0294 412 GLU B OE2 3952 N N . GLY B 190 ? 0.4412 0.4235 0.4940 0.0196 0.0893 0.0213 413 GLY B N 3953 C CA . GLY B 190 ? 0.4501 0.4437 0.5164 0.0147 0.0858 0.0185 413 GLY B CA 3954 C C . GLY B 190 ? 0.4141 0.4101 0.4747 0.0119 0.0767 0.0105 413 GLY B C 3955 O O . GLY B 190 ? 0.3832 0.3805 0.4493 0.0088 0.0752 0.0076 413 GLY B O 3956 N N . GLU B 191 ? 0.3558 0.3525 0.4061 0.0130 0.0707 0.0070 414 GLU B N 3957 C CA . GLU B 191 ? 0.4173 0.4182 0.4637 0.0106 0.0621 -0.0003 414 GLU B CA 3958 C C . GLU B 191 ? 0.3547 0.3757 0.4168 0.0061 0.0566 -0.0015 414 GLU B C 3959 O O . GLU B 191 ? 0.3545 0.3884 0.4286 0.0053 0.0570 0.0027 414 GLU B O 3960 C CB . GLU B 191 ? 0.3932 0.3924 0.4281 0.0127 0.0572 -0.0030 414 GLU B CB 3961 C CG . GLU B 191 ? 0.3693 0.3749 0.4016 0.0105 0.0486 -0.0101 414 GLU B CG 3962 C CD . GLU B 191 ? 0.4611 0.4528 0.4838 0.0106 0.0477 -0.0152 414 GLU B CD 3963 O OE1 . GLU B 191 ? 0.3834 0.3763 0.4121 0.0079 0.0484 -0.0164 414 GLU B OE1 3964 O OE2 . GLU B 191 ? 0.4690 0.4485 0.4785 0.0132 0.0459 -0.0181 414 GLU B OE2 3965 N N . THR B 192 ? 0.3440 0.3668 0.4053 0.0033 0.0509 -0.0074 415 THR B N 3966 C CA . THR B 192 ? 0.3608 0.4007 0.4343 -0.0007 0.0446 -0.0094 415 THR B CA 3967 C C . THR B 192 ? 0.3914 0.4371 0.4576 -0.0009 0.0366 -0.0150 415 THR B C 3968 O O . THR B 192 ? 0.3717 0.4081 0.4265 -0.0001 0.0346 -0.0199 415 THR B O 3969 C CB . THR B 192 ? 0.3809 0.4192 0.4614 -0.0040 0.0445 -0.0113 415 THR B CB 3970 O OG1 . THR B 192 ? 0.3700 0.4038 0.4595 -0.0038 0.0526 -0.0054 415 THR B OG1 3971 C CG2 . THR B 192 ? 0.3956 0.4502 0.4874 -0.0080 0.0367 -0.0137 415 THR B CG2 3972 N N . TYR B 193 ? 0.3339 0.3947 0.4068 -0.0018 0.0325 -0.0140 416 TYR B N 3973 C CA . TYR B 193 ? 0.3070 0.3742 0.3739 -0.0017 0.0260 -0.0184 416 TYR B CA 3974 C C . TYR B 193 ? 0.3407 0.4189 0.4142 -0.0049 0.0194 -0.0217 416 TYR B C 3975 O O . TYR B 193 ? 0.4165 0.5033 0.5020 -0.0070 0.0187 -0.0190 416 TYR B O 3976 C CB . TYR B 193 ? 0.2795 0.3537 0.3465 0.0005 0.0265 -0.0147 416 TYR B CB 3977 C CG . TYR B 193 ? 0.3200 0.3824 0.3791 0.0038 0.0321 -0.0118 416 TYR B CG 3978 C CD1 . TYR B 193 ? 0.2736 0.3295 0.3215 0.0060 0.0304 -0.0147 416 TYR B CD1 3979 C CD2 . TYR B 193 ? 0.3089 0.3659 0.3719 0.0051 0.0388 -0.0062 416 TYR B CD2 3980 C CE1 . TYR B 193 ? 0.2809 0.3246 0.3209 0.0091 0.0346 -0.0122 416 TYR B CE1 3981 C CE2 . TYR B 193 ? 0.3533 0.3976 0.4072 0.0086 0.0437 -0.0036 416 TYR B CE2 3982 C CZ . TYR B 193 ? 0.3101 0.3476 0.3522 0.0105 0.0411 -0.0068 416 TYR B CZ 3983 O OH . TYR B 193 ? 0.3966 0.4205 0.4293 0.0140 0.0450 -0.0043 416 TYR B OH 3984 N N . GLN B 194 ? 0.3517 0.4290 0.4171 -0.0052 0.0145 -0.0276 417 GLN B N 3985 C CA . GLN B 194 ? 0.3478 0.4336 0.4166 -0.0077 0.0078 -0.0313 417 GLN B CA 3986 C C . GLN B 194 ? 0.3541 0.4473 0.4170 -0.0064 0.0033 -0.0339 417 GLN B C 3987 O O . GLN B 194 ? 0.3432 0.4315 0.3969 -0.0042 0.0039 -0.0360 417 GLN B O 3988 C CB . GLN B 194 ? 0.4568 0.5341 0.5215 -0.0094 0.0061 -0.0364 417 GLN B CB 3989 C CG . GLN B 194 ? 0.5436 0.6277 0.6099 -0.0119 -0.0012 -0.0407 417 GLN B CG 3990 C CD . GLN B 194 ? 0.6924 0.7673 0.7541 -0.0135 -0.0026 -0.0457 417 GLN B CD 3991 O OE1 . GLN B 194 ? 0.7596 0.8322 0.8120 -0.0128 -0.0063 -0.0510 417 GLN B OE1 3992 N NE2 . GLN B 194 ? 0.6966 0.7660 0.7651 -0.0155 0.0007 -0.0439 417 GLN B NE2 3993 N N . CYS B 195 ? 0.3333 0.4376 0.4016 -0.0075 -0.0013 -0.0334 418 CYS B N 3994 C CA . CYS B 195 ? 0.3995 0.5100 0.4615 -0.0063 -0.0059 -0.0362 418 CYS B CA 3995 C C . CYS B 195 ? 0.4715 0.5820 0.5310 -0.0082 -0.0120 -0.0417 418 CYS B C 3996 O O . CYS B 195 ? 0.4273 0.5413 0.4945 -0.0108 -0.0154 -0.0415 418 CYS B O 3997 C CB . CYS B 195 ? 0.4550 0.5766 0.5227 -0.0057 -0.0072 -0.0321 418 CYS B CB 3998 S SG . CYS B 195 ? 0.5444 0.6727 0.6033 -0.0037 -0.0120 -0.0349 418 CYS B SG 3999 N N . ARG B 196 ? 0.3992 0.5056 0.4485 -0.0069 -0.0135 -0.0466 419 ARG B N 4000 C CA . ARG B 196 ? 0.4252 0.5306 0.4703 -0.0082 -0.0192 -0.0519 419 ARG B CA 4001 C C . ARG B 196 ? 0.4437 0.5547 0.4816 -0.0061 -0.0228 -0.0540 419 ARG B C 4002 O O . ARG B 196 ? 0.3960 0.5068 0.4278 -0.0033 -0.0203 -0.0542 419 ARG B O 4003 C CB . ARG B 196 ? 0.5361 0.6306 0.5747 -0.0083 -0.0180 -0.0563 419 ARG B CB 4004 C CG . ARG B 196 ? 0.6278 0.7200 0.6614 -0.0096 -0.0237 -0.0620 419 ARG B CG 4005 C CD . ARG B 196 ? 0.6860 0.7669 0.7136 -0.0096 -0.0222 -0.0660 419 ARG B CD 4006 N NE . ARG B 196 ? 0.8024 0.8802 0.8253 -0.0110 -0.0274 -0.0713 419 ARG B NE 4007 C CZ . ARG B 196 ? 0.8440 0.9204 0.8570 -0.0090 -0.0300 -0.0759 419 ARG B CZ 4008 N NH1 . ARG B 196 ? 0.9190 0.9975 0.9274 -0.0056 -0.0277 -0.0756 419 ARG B NH1 4009 N NH2 . ARG B 196 ? 0.7967 0.8694 0.8050 -0.0102 -0.0347 -0.0806 419 ARG B NH2 4010 N N . VAL B 197 ? 0.4351 0.5504 0.4736 -0.0073 -0.0288 -0.0554 420 VAL B N 4011 C CA . VAL B 197 ? 0.4556 0.5756 0.4866 -0.0049 -0.0324 -0.0567 420 VAL B CA 4012 C C . VAL B 197 ? 0.5589 0.6746 0.5813 -0.0051 -0.0379 -0.0626 420 VAL B C 4013 O O . VAL B 197 ? 0.5885 0.7017 0.6142 -0.0080 -0.0423 -0.0646 420 VAL B O 4014 C CB . VAL B 197 ? 0.3988 0.5270 0.4360 -0.0053 -0.0357 -0.0529 420 VAL B CB 4015 C CG1 . VAL B 197 ? 0.4710 0.6021 0.4981 -0.0024 -0.0393 -0.0543 420 VAL B CG1 4016 C CG2 . VAL B 197 ? 0.4344 0.5668 0.4796 -0.0048 -0.0301 -0.0468 420 VAL B CG2 4017 N N . THR B 198 ? 0.6042 0.7186 0.6157 -0.0019 -0.0374 -0.0653 421 THR B N 4018 C CA . THR B 198 ? 0.6875 0.7971 0.6889 -0.0012 -0.0421 -0.0708 421 THR B CA 4019 C C . THR B 198 ? 0.7556 0.8676 0.7468 0.0027 -0.0432 -0.0713 421 THR B C 4020 O O . THR B 198 ? 0.7459 0.8617 0.7364 0.0054 -0.0384 -0.0684 421 THR B O 4021 C CB . THR B 198 ? 0.6716 0.7736 0.6683 -0.0007 -0.0395 -0.0748 421 THR B CB 4022 O OG1 . THR B 198 ? 0.7047 0.8076 0.6993 0.0023 -0.0336 -0.0735 421 THR B OG1 4023 C CG2 . THR B 198 ? 0.7426 0.8400 0.7472 -0.0042 -0.0383 -0.0747 421 THR B CG2 4024 N N . HIS B 199 ? 0.8529 0.9620 0.8357 0.0032 -0.0494 -0.0750 422 HIS B N 4025 C CA . HIS B 199 ? 0.9761 1.0847 0.9460 0.0076 -0.0501 -0.0762 422 HIS B CA 4026 C C . HIS B 199 ? 0.9577 1.0590 0.9166 0.0080 -0.0564 -0.0817 422 HIS B C 4027 O O . HIS B 199 ? 0.9027 1.0015 0.8652 0.0045 -0.0624 -0.0836 422 HIS B O 4028 C CB . HIS B 199 ? 1.0916 1.2061 1.0622 0.0088 -0.0519 -0.0721 422 HIS B CB 4029 C CG . HIS B 199 ? 1.2086 1.3219 1.1654 0.0139 -0.0509 -0.0724 422 HIS B CG 4030 N ND1 . HIS B 199 ? 1.2509 1.3582 1.1943 0.0161 -0.0567 -0.0762 422 HIS B ND1 4031 C CD2 . HIS B 199 ? 1.2354 1.3519 1.1895 0.0175 -0.0444 -0.0694 422 HIS B CD2 4032 C CE1 . HIS B 199 ? 1.2426 1.3491 1.1748 0.0211 -0.0533 -0.0753 422 HIS B CE1 4033 N NE2 . HIS B 199 ? 1.2174 1.3298 1.1566 0.0218 -0.0457 -0.0711 422 HIS B NE2 4034 N N . PRO B 200 ? 1.0308 1.1282 0.9763 0.0124 -0.0547 -0.0842 423 PRO B N 4035 C CA . PRO B 200 ? 1.0929 1.1822 1.0252 0.0139 -0.0602 -0.0894 423 PRO B CA 4036 C C . PRO B 200 ? 1.1472 1.2350 1.0776 0.0121 -0.0699 -0.0901 423 PRO B C 4037 O O . PRO B 200 ? 1.1316 1.2132 1.0591 0.0100 -0.0761 -0.0942 423 PRO B O 4038 C CB . PRO B 200 ? 1.0762 1.1638 0.9953 0.0199 -0.0558 -0.0894 423 PRO B CB 4039 C CG . PRO B 200 ? 1.0611 1.1544 0.9887 0.0207 -0.0468 -0.0861 423 PRO B CG 4040 C CD . PRO B 200 ? 1.0565 1.1564 0.9995 0.0164 -0.0466 -0.0821 423 PRO B CD 4041 N N . HIS B 201 ? 1.2260 1.3190 1.1584 0.0128 -0.0714 -0.0863 424 HIS B N 4042 C CA . HIS B 201 ? 1.3567 1.4485 1.2880 0.0114 -0.0813 -0.0867 424 HIS B CA 4043 C C . HIS B 201 ? 1.3075 1.4035 1.2566 0.0053 -0.0852 -0.0854 424 HIS B C 4044 O O . HIS B 201 ? 1.2622 1.3587 1.2151 0.0033 -0.0936 -0.0852 424 HIS B O 4045 C CB . HIS B 201 ? 1.5793 1.6747 1.5059 0.0149 -0.0817 -0.0830 424 HIS B CB 4046 C CG . HIS B 201 ? 1.8145 1.9063 1.7353 0.0150 -0.0928 -0.0842 424 HIS B CG 4047 N ND1 . HIS B 201 ? 1.9133 1.9949 1.8150 0.0187 -0.0984 -0.0883 424 HIS B ND1 4048 C CD2 . HIS B 201 ? 1.8955 1.9920 1.8271 0.0121 -0.0996 -0.0818 424 HIS B CD2 4049 C CE1 . HIS B 201 ? 1.9452 2.0248 1.8456 0.0180 -0.1089 -0.0887 424 HIS B CE1 4050 N NE2 . HIS B 201 ? 1.9315 2.0206 1.8508 0.0139 -0.1100 -0.0848 424 HIS B NE2 4051 N N . LEU B 202 ? 1.3509 1.4492 1.3110 0.0025 -0.0791 -0.0845 425 LEU B N 4052 C CA . LEU B 202 ? 1.4221 1.5233 1.3990 -0.0030 -0.0809 -0.0829 425 LEU B CA 4053 C C . LEU B 202 ? 1.4499 1.5440 1.4267 -0.0058 -0.0825 -0.0875 425 LEU B C 4054 O O . LEU B 202 ? 1.4633 1.5532 1.4342 -0.0043 -0.0771 -0.0897 425 LEU B O 4055 C CB . LEU B 202 ? 1.4912 1.5994 1.4807 -0.0038 -0.0725 -0.0777 425 LEU B CB 4056 C CG . LEU B 202 ? 1.5466 1.6585 1.5541 -0.0088 -0.0730 -0.0747 425 LEU B CG 4057 C CD1 . LEU B 202 ? 1.5274 1.6450 1.5424 -0.0099 -0.0798 -0.0720 425 LEU B CD1 4058 C CD2 . LEU B 202 ? 1.5770 1.6925 1.5930 -0.0088 -0.0636 -0.0705 425 LEU B CD2 4059 N N . PRO B 203 ? 1.4898 1.5822 1.4738 -0.0099 -0.0900 -0.0888 426 PRO B N 4060 C CA . PRO B 203 ? 1.5363 1.6211 1.5201 -0.0129 -0.0924 -0.0931 426 PRO B CA 4061 C C . PRO B 203 ? 1.5336 1.6183 1.5265 -0.0150 -0.0841 -0.0918 426 PRO B C 4062 O O . PRO B 203 ? 1.5167 1.5955 1.5013 -0.0135 -0.0802 -0.0949 426 PRO B O 4063 C CB . PRO B 203 ? 1.5725 1.6584 1.5673 -0.0174 -0.1016 -0.0929 426 PRO B CB 4064 C CG . PRO B 203 ? 1.5677 1.6593 1.5620 -0.0153 -0.1062 -0.0901 426 PRO B CG 4065 C CD . PRO B 203 ? 1.5292 1.6270 1.5230 -0.0120 -0.0969 -0.0859 426 PRO B CD 4066 N N . ARG B 204 ? 1.5375 1.6281 1.5469 -0.0182 -0.0815 -0.0871 427 ARG B N 4067 C CA . ARG B 204 ? 1.5479 1.6374 1.5651 -0.0196 -0.0733 -0.0851 427 ARG B CA 4068 C C . ARG B 204 ? 1.3540 1.4511 1.3785 -0.0182 -0.0666 -0.0792 427 ARG B C 4069 O O . ARG B 204 ? 1.3648 1.4691 1.3935 -0.0176 -0.0691 -0.0760 427 ARG B O 4070 C CB . ARG B 204 ? 1.7189 1.8059 1.7492 -0.0248 -0.0750 -0.0848 427 ARG B CB 4071 C CG . ARG B 204 ? 1.8759 1.9542 1.8995 -0.0267 -0.0810 -0.0906 427 ARG B CG 4072 C CD . ARG B 204 ? 2.0059 2.0823 2.0444 -0.0321 -0.0823 -0.0897 427 ARG B CD 4073 N NE . ARG B 204 ? 2.1119 2.1800 2.1447 -0.0342 -0.0890 -0.0951 427 ARG B NE 4074 C CZ . ARG B 204 ? 2.1707 2.2362 2.2154 -0.0391 -0.0918 -0.0952 427 ARG B CZ 4075 N NH1 . ARG B 204 ? 2.1829 2.2536 2.2463 -0.0423 -0.0881 -0.0899 427 ARG B NH1 4076 N NH2 . ARG B 204 ? 2.1904 2.2477 2.2285 -0.0409 -0.0981 -0.1004 427 ARG B NH2 4077 N N . ALA B 205 ? 1.1090 1.2037 1.1343 -0.0174 -0.0586 -0.0780 428 ALA B N 4078 C CA . ALA B 205 ? 0.9128 1.0130 0.9430 -0.0157 -0.0520 -0.0728 428 ALA B CA 4079 C C . ALA B 205 ? 0.7662 0.8732 0.8119 -0.0182 -0.0519 -0.0673 428 ALA B C 4080 O O . ALA B 205 ? 0.8091 0.9148 0.8650 -0.0220 -0.0537 -0.0669 428 ALA B O 4081 C CB . ALA B 205 ? 0.8752 0.9695 0.9035 -0.0147 -0.0445 -0.0728 428 ALA B CB 4082 N N . LEU B 206 ? 0.6227 0.7369 0.6706 -0.0161 -0.0497 -0.0630 429 LEU B N 4083 C CA . LEU B 206 ? 0.5807 0.7013 0.6433 -0.0177 -0.0477 -0.0572 429 LEU B CA 4084 C C . LEU B 206 ? 0.6173 0.7347 0.6833 -0.0172 -0.0385 -0.0539 429 LEU B C 4085 O O . LEU B 206 ? 0.4972 0.6124 0.5546 -0.0143 -0.0341 -0.0542 429 LEU B O 4086 C CB . LEU B 206 ? 0.5113 0.6402 0.5735 -0.0153 -0.0496 -0.0540 429 LEU B CB 4087 C CG . LEU B 206 ? 0.6771 0.8111 0.7434 -0.0165 -0.0587 -0.0541 429 LEU B CG 4088 C CD1 . LEU B 206 ? 0.8047 0.9331 0.8663 -0.0185 -0.0662 -0.0599 429 LEU B CD1 4089 C CD2 . LEU B 206 ? 0.6669 0.8057 0.7246 -0.0126 -0.0605 -0.0530 429 LEU B CD2 4090 N N . MET B 207 ? 0.5972 0.7139 0.6758 -0.0200 -0.0357 -0.0508 430 MET B N 4091 C CA . MET B 207 ? 0.5869 0.6986 0.6676 -0.0192 -0.0269 -0.0475 430 MET B CA 4092 C C . MET B 207 ? 0.6352 0.7525 0.7306 -0.0201 -0.0234 -0.0409 430 MET B C 4093 O O . MET B 207 ? 0.6109 0.7303 0.7188 -0.0232 -0.0253 -0.0394 430 MET B O 4094 C CB . MET B 207 ? 0.6860 0.7869 0.7644 -0.0208 -0.0245 -0.0505 430 MET B CB 4095 C CG . MET B 207 ? 0.7856 0.8791 0.8487 -0.0187 -0.0250 -0.0561 430 MET B CG 4096 S SD . MET B 207 ? 1.6393 1.7197 1.6990 -0.0207 -0.0236 -0.0601 430 MET B SD 4097 C CE . MET B 207 ? 2.2415 2.3171 2.3111 -0.0214 -0.0148 -0.0540 430 MET B CE 4098 N N . ARG B 208 ? 0.5066 0.6262 0.6008 -0.0173 -0.0182 -0.0368 431 ARG B N 4099 C CA . ARG B 208 ? 0.3911 0.5156 0.4979 -0.0174 -0.0141 -0.0303 431 ARG B CA 4100 C C . ARG B 208 ? 0.4416 0.5577 0.5459 -0.0156 -0.0049 -0.0273 431 ARG B C 4101 O O . ARG B 208 ? 0.3361 0.4462 0.4281 -0.0131 -0.0026 -0.0292 431 ARG B O 4102 C CB . ARG B 208 ? 0.3369 0.4715 0.4446 -0.0155 -0.0166 -0.0275 431 ARG B CB 4103 C CG . ARG B 208 ? 0.4601 0.6013 0.5670 -0.0164 -0.0261 -0.0306 431 ARG B CG 4104 C CD . ARG B 208 ? 0.4832 0.6288 0.6055 -0.0199 -0.0308 -0.0294 431 ARG B CD 4105 N NE . ARG B 208 ? 0.5919 0.7417 0.7119 -0.0207 -0.0410 -0.0329 431 ARG B NE 4106 C CZ . ARG B 208 ? 0.7016 0.8470 0.8172 -0.0227 -0.0469 -0.0383 431 ARG B CZ 4107 N NH1 . ARG B 208 ? 0.7140 0.8512 0.8278 -0.0243 -0.0434 -0.0408 431 ARG B NH1 4108 N NH2 . ARG B 208 ? 0.7065 0.8548 0.8187 -0.0228 -0.0564 -0.0413 431 ARG B NH2 4109 N N . SER B 209 ? 0.3728 0.4880 0.4887 -0.0165 0.0002 -0.0224 432 SER B N 4110 C CA . SER B 209 ? 0.3687 0.4741 0.4810 -0.0144 0.0092 -0.0192 432 SER B CA 4111 C C . SER B 209 ? 0.3717 0.4821 0.4947 -0.0132 0.0142 -0.0120 432 SER B C 4112 O O . SER B 209 ? 0.4548 0.5752 0.5918 -0.0150 0.0115 -0.0093 432 SER B O 4113 C CB . SER B 209 ? 0.4697 0.5637 0.5822 -0.0160 0.0127 -0.0208 432 SER B CB 4114 O OG . SER B 209 ? 0.6488 0.7473 0.7776 -0.0192 0.0126 -0.0182 432 SER B OG 4115 N N . THR B 210 ? 0.2667 0.3697 0.3830 -0.0101 0.0212 -0.0090 433 THR B N 4116 C CA . THR B 210 ? 0.3041 0.4103 0.4284 -0.0083 0.0268 -0.0020 433 THR B CA 4117 C C . THR B 210 ? 0.3254 0.4171 0.4429 -0.0056 0.0359 0.0007 433 THR B C 4118 O O . THR B 210 ? 0.3613 0.4420 0.4644 -0.0040 0.0367 -0.0027 433 THR B O 4119 C CB . THR B 210 ? 0.3486 0.4638 0.4699 -0.0062 0.0241 -0.0005 433 THR B CB 4120 O OG1 . THR B 210 ? 0.3183 0.4384 0.4497 -0.0049 0.0286 0.0063 433 THR B OG1 4121 C CG2 . THR B 210 ? 0.3064 0.4134 0.4113 -0.0032 0.0258 -0.0025 433 THR B CG2 4122 N N . THR B 211 ? 0.3020 0.3931 0.4297 -0.0049 0.0427 0.0069 434 THR B N 4123 C CA . THR B 211 ? 0.3448 0.4209 0.4658 -0.0018 0.0521 0.0103 434 THR B CA 4124 C C . THR B 211 ? 0.3380 0.4185 0.4711 -0.0003 0.0585 0.0181 434 THR B C 4125 O O . THR B 211 ? 0.3107 0.4052 0.4596 -0.0023 0.0555 0.0205 434 THR B O 4126 C CB . THR B 211 ? 0.4178 0.4820 0.5377 -0.0032 0.0555 0.0084 434 THR B CB 4127 O OG1 . THR B 211 ? 0.4073 0.4542 0.5157 0.0007 0.0641 0.0108 434 THR B OG1 4128 C CG2 . THR B 211 ? 0.4977 0.5692 0.6376 -0.0063 0.0573 0.0117 434 THR B CG2 4129 N N . LYS B 212 ? 0.3238 0.3916 0.4490 0.0037 0.0671 0.0222 435 LYS B N 4130 C CA . LYS B 212 ? 0.3602 0.4310 0.4955 0.0058 0.0740 0.0298 435 LYS B CA 4131 C C . LYS B 212 ? 0.3667 0.4427 0.5220 0.0033 0.0775 0.0334 435 LYS B C 4132 O O . LYS B 212 ? 0.4339 0.5018 0.5900 0.0017 0.0801 0.0317 435 LYS B O 4133 C CB . LYS B 212 ? 0.3205 0.3738 0.4418 0.0108 0.0829 0.0333 435 LYS B CB 4134 C CG . LYS B 212 ? 0.4345 0.4903 0.5646 0.0137 0.0903 0.0414 435 LYS B CG 4135 C CD . LYS B 212 ? 0.4729 0.5094 0.5869 0.0191 0.0990 0.0447 435 LYS B CD 4136 C CE . LYS B 212 ? 0.5899 0.6108 0.7025 0.0204 0.1082 0.0467 435 LYS B CE 4137 N NZ . LYS B 212 ? 0.5951 0.5982 0.6946 0.0263 0.1179 0.0518 435 LYS B NZ 4138 N N . THR B 213 ? 0.4046 0.4384 0.5195 0.0215 0.0105 0.0948 436 THR B N 4139 C CA . THR B 213 ? 0.4452 0.4781 0.5576 0.0186 0.0098 0.0947 436 THR B CA 4140 C C . THR B 213 ? 0.4026 0.4386 0.5131 0.0154 0.0075 0.1013 436 THR B C 4141 O O . THR B 213 ? 0.4325 0.4735 0.5374 0.0154 0.0074 0.1034 436 THR B O 4142 C CB . THR B 213 ? 0.4477 0.4832 0.5524 0.0186 0.0120 0.0897 436 THR B CB 4143 O OG1 . THR B 213 ? 0.5905 0.6221 0.6959 0.0214 0.0142 0.0838 436 THR B OG1 4144 C CG2 . THR B 213 ? 0.4553 0.4912 0.5589 0.0153 0.0109 0.0901 436 THR B CG2 4145 N N . SER B 214 ? 0.3785 0.4114 0.4936 0.0128 0.0056 0.1045 437 SER B N 4146 C CA . SER B 214 ? 0.4497 0.4853 0.5627 0.0095 0.0041 0.1114 437 SER B CA 4147 C C . SER B 214 ? 0.4095 0.4508 0.5169 0.0070 0.0059 0.1109 437 SER B C 4148 O O . SER B 214 ? 0.4092 0.4516 0.5143 0.0078 0.0076 0.1051 437 SER B O 4149 C CB . SER B 214 ? 0.6044 0.6342 0.7255 0.0074 0.0012 0.1160 437 SER B CB 4150 O OG . SER B 214 ? 0.6648 0.6908 0.7907 0.0063 0.0011 0.1125 437 SER B OG 4151 N N . GLY B 215 ? 0.4137 0.4585 0.5188 0.0041 0.0055 0.1171 438 GLY B N 4152 C CA . GLY B 215 ? 0.3749 0.4256 0.4770 0.0014 0.0075 0.1173 438 GLY B CA 4153 C C . GLY B 215 ? 0.3315 0.3901 0.4240 0.0025 0.0093 0.1167 438 GLY B C 4154 O O . GLY B 215 ? 0.3283 0.3878 0.4159 0.0049 0.0084 0.1175 438 GLY B O 4155 N N . PRO B 216 ? 0.3108 0.3752 0.4015 0.0009 0.0113 0.1150 439 PRO B N 4156 C CA . PRO B 216 ? 0.2905 0.3630 0.3726 0.0020 0.0129 0.1144 439 PRO B CA 4157 C C . PRO B 216 ? 0.3249 0.3976 0.4016 0.0058 0.0124 0.1083 439 PRO B C 4158 O O . PRO B 216 ? 0.3133 0.3814 0.3928 0.0071 0.0119 0.1035 439 PRO B O 4159 C CB . PRO B 216 ? 0.2715 0.3491 0.3562 -0.0007 0.0149 0.1132 439 PRO B CB 4160 C CG . PRO B 216 ? 0.4141 0.4869 0.5084 -0.0041 0.0141 0.1164 439 PRO B CG 4161 C CD . PRO B 216 ? 0.3298 0.3935 0.4276 -0.0022 0.0116 0.1145 439 PRO B CD 4162 N N . ARG B 217 ? 0.2650 0.3431 0.3339 0.0075 0.0123 0.1086 440 ARG B N 4163 C CA . ARG B 217 ? 0.2052 0.2840 0.2691 0.0108 0.0113 0.1034 440 ARG B CA 4164 C C . ARG B 217 ? 0.2503 0.3364 0.3090 0.0111 0.0124 0.1002 440 ARG B C 4165 O O . ARG B 217 ? 0.2551 0.3470 0.3118 0.0098 0.0139 0.1032 440 ARG B O 4166 C CB . ARG B 217 ? 0.2792 0.3571 0.3389 0.0132 0.0089 0.1062 440 ARG B CB 4167 C CG . ARG B 217 ? 0.4451 0.5164 0.5098 0.0146 0.0071 0.1059 440 ARG B CG 4168 C CD . ARG B 217 ? 0.4665 0.5322 0.5396 0.0128 0.0076 0.1084 440 ARG B CD 4169 N NE . ARG B 217 ? 0.4164 0.4768 0.4948 0.0148 0.0065 0.1070 440 ARG B NE 4170 C CZ . ARG B 217 ? 0.4282 0.4831 0.5145 0.0145 0.0069 0.1067 440 ARG B CZ 4171 N NH1 . ARG B 217 ? 0.4021 0.4551 0.4921 0.0119 0.0075 0.1080 440 ARG B NH1 4172 N NH2 . ARG B 217 ? 0.4240 0.4754 0.5151 0.0169 0.0065 0.1052 440 ARG B NH2 4173 N N . ALA B 218 ? 0.2680 0.3540 0.3246 0.0130 0.0116 0.0942 441 ALA B N 4174 C CA . ALA B 218 ? 0.2617 0.3541 0.3133 0.0141 0.0115 0.0905 441 ALA B CA 4175 C C . ALA B 218 ? 0.2812 0.3713 0.3292 0.0168 0.0092 0.0857 441 ALA B C 4176 O O . ALA B 218 ? 0.2620 0.3464 0.3127 0.0169 0.0090 0.0838 441 ALA B O 4177 C CB . ALA B 218 ? 0.2822 0.3773 0.3380 0.0118 0.0133 0.0882 441 ALA B CB 4178 N N . ALA B 219 ? 0.2957 0.3902 0.3377 0.0191 0.0073 0.0839 442 ALA B N 4179 C CA . ALA B 219 ? 0.3284 0.4208 0.3673 0.0214 0.0044 0.0800 442 ALA B CA 4180 C C . ALA B 219 ? 0.2463 0.3384 0.2851 0.0211 0.0042 0.0744 442 ALA B C 4181 O O . ALA B 219 ? 0.2566 0.3527 0.2964 0.0200 0.0054 0.0727 442 ALA B O 4182 C CB . ALA B 219 ? 0.3396 0.4358 0.3723 0.0242 0.0015 0.0799 442 ALA B CB 4183 N N . PRO B 220 ? 0.2577 0.3451 0.2957 0.0221 0.0027 0.0719 443 PRO B N 4184 C CA . PRO B 220 ? 0.2194 0.3055 0.2560 0.0219 0.0018 0.0668 443 PRO B CA 4185 C C . PRO B 220 ? 0.2986 0.3892 0.3308 0.0236 -0.0014 0.0633 443 PRO B C 4186 O O . PRO B 220 ? 0.2832 0.3757 0.3123 0.0257 -0.0039 0.0640 443 PRO B O 4187 C CB . PRO B 220 ? 0.2384 0.3181 0.2747 0.0224 0.0016 0.0664 443 PRO B CB 4188 C CG . PRO B 220 ? 0.2872 0.3669 0.3246 0.0236 0.0008 0.0704 443 PRO B CG 4189 C CD . PRO B 220 ? 0.2391 0.3221 0.2783 0.0230 0.0019 0.0742 443 PRO B CD 4190 N N . GLU B 221 ? 0.2578 0.3495 0.2900 0.0230 -0.0019 0.0592 444 GLU B N 4191 C CA . GLU B 221 ? 0.2311 0.3255 0.2597 0.0248 -0.0056 0.0548 444 GLU B CA 4192 C C . GLU B 221 ? 0.3093 0.3968 0.3353 0.0248 -0.0079 0.0519 444 GLU B C 4193 O O . GLU B 221 ? 0.2898 0.3723 0.3170 0.0233 -0.0061 0.0516 444 GLU B O 4194 C CB . GLU B 221 ? 0.2334 0.3333 0.2647 0.0241 -0.0050 0.0520 444 GLU B CB 4195 C CG . GLU B 221 ? 0.2878 0.3943 0.3224 0.0233 -0.0012 0.0557 444 GLU B CG 4196 C CD . GLU B 221 ? 0.4049 0.5161 0.4451 0.0216 0.0004 0.0539 444 GLU B CD 4197 O OE1 . GLU B 221 ? 0.3300 0.4461 0.3743 0.0200 0.0041 0.0577 444 GLU B OE1 4198 O OE2 . GLU B 221 ? 0.3937 0.5036 0.4348 0.0217 -0.0022 0.0490 444 GLU B OE2 4199 N N . VAL B 222 ? 0.2598 0.3470 0.2820 0.0266 -0.0122 0.0500 445 VAL B N 4200 C CA . VAL B 222 ? 0.2769 0.3576 0.2958 0.0265 -0.0145 0.0482 445 VAL B CA 4201 C C . VAL B 222 ? 0.2602 0.3419 0.2763 0.0277 -0.0195 0.0432 445 VAL B C 4202 O O . VAL B 222 ? 0.2263 0.3131 0.2420 0.0296 -0.0225 0.0418 445 VAL B O 4203 C CB . VAL B 222 ? 0.2891 0.3670 0.3071 0.0272 -0.0156 0.0515 445 VAL B CB 4204 C CG1 . VAL B 222 ? 0.3245 0.3964 0.3388 0.0270 -0.0180 0.0502 445 VAL B CG1 4205 C CG2 . VAL B 222 ? 0.3031 0.3795 0.3248 0.0263 -0.0109 0.0560 445 VAL B CG2 4206 N N . TYR B 223 ? 0.2451 0.3215 0.2588 0.0267 -0.0208 0.0404 446 TYR B N 4207 C CA . TYR B 223 ? 0.2199 0.2958 0.2312 0.0277 -0.0263 0.0356 446 TYR B CA 4208 C C . TYR B 223 ? 0.3095 0.3766 0.3150 0.0269 -0.0286 0.0350 446 TYR B C 4209 O O . TYR B 223 ? 0.3005 0.3623 0.3042 0.0255 -0.0258 0.0353 446 TYR B O 4210 C CB . TYR B 223 ? 0.2421 0.3208 0.2568 0.0270 -0.0259 0.0320 446 TYR B CB 4211 C CG . TYR B 223 ? 0.2704 0.3577 0.2911 0.0270 -0.0221 0.0334 446 TYR B CG 4212 C CD1 . TYR B 223 ? 0.3602 0.4556 0.3825 0.0291 -0.0237 0.0317 446 TYR B CD1 4213 C CD2 . TYR B 223 ? 0.3272 0.4144 0.3517 0.0249 -0.0170 0.0365 446 TYR B CD2 4214 C CE1 . TYR B 223 ? 0.3355 0.4390 0.3623 0.0291 -0.0196 0.0335 446 TYR B CE1 4215 C CE2 . TYR B 223 ? 0.3412 0.4361 0.3711 0.0245 -0.0135 0.0386 446 TYR B CE2 4216 C CZ . TYR B 223 ? 0.3609 0.4641 0.3915 0.0265 -0.0144 0.0373 446 TYR B CZ 4217 O OH . TYR B 223 ? 0.3513 0.4625 0.3864 0.0260 -0.0103 0.0399 446 TYR B OH 4218 N N . ALA B 224 ? 0.2386 0.3039 0.2409 0.0280 -0.0338 0.0343 447 ALA B N 4219 C CA . ALA B 224 ? 0.2315 0.2885 0.2278 0.0271 -0.0361 0.0346 447 ALA B CA 4220 C C . ALA B 224 ? 0.3365 0.3913 0.3299 0.0277 -0.0429 0.0296 447 ALA B C 4221 O O . ALA B 224 ? 0.3387 0.3987 0.3351 0.0295 -0.0471 0.0268 447 ALA B O 4222 C CB . ALA B 224 ? 0.2970 0.3527 0.2928 0.0272 -0.0371 0.0387 447 ALA B CB 4223 N N . PHE B 225 ? 0.2457 0.2928 0.2331 0.0266 -0.0442 0.0284 448 PHE B N 4224 C CA . PHE B 225 ? 0.2662 0.3100 0.2509 0.0271 -0.0509 0.0234 448 PHE B CA 4225 C C . PHE B 225 ? 0.3218 0.3556 0.2973 0.0260 -0.0536 0.0249 448 PHE B C 4226 O O . PHE B 225 ? 0.3286 0.3581 0.2997 0.0247 -0.0486 0.0286 448 PHE B O 4227 C CB . PHE B 225 ? 0.4006 0.4445 0.3873 0.0267 -0.0497 0.0197 448 PHE B CB 4228 C CG . PHE B 225 ? 0.5886 0.6423 0.5845 0.0273 -0.0467 0.0187 448 PHE B CG 4229 C CD1 . PHE B 225 ? 0.6126 0.6732 0.6139 0.0290 -0.0507 0.0149 448 PHE B CD1 4230 C CD2 . PHE B 225 ? 0.6422 0.6983 0.6416 0.0262 -0.0399 0.0215 448 PHE B CD2 4231 C CE1 . PHE B 225 ? 0.5077 0.5780 0.5171 0.0296 -0.0472 0.0144 448 PHE B CE1 4232 C CE2 . PHE B 225 ? 0.6012 0.6663 0.6088 0.0264 -0.0370 0.0213 448 PHE B CE2 4233 C CZ . PHE B 225 ? 0.4743 0.5467 0.4866 0.0280 -0.0403 0.0179 448 PHE B CZ 4234 N N . ALA B 226 ? 0.2747 0.3047 0.2471 0.0265 -0.0614 0.0219 449 ALA B N 4235 C CA . ALA B 226 ? 0.3501 0.3698 0.3126 0.0252 -0.0647 0.0231 449 ALA B CA 4236 C C . ALA B 226 ? 0.4122 0.4265 0.3709 0.0255 -0.0700 0.0177 449 ALA B C 4237 O O . ALA B 226 ? 0.3063 0.3251 0.2713 0.0269 -0.0747 0.0128 449 ALA B O 4238 C CB . ALA B 226 ? 0.3200 0.3382 0.2818 0.0253 -0.0708 0.0251 449 ALA B CB 4239 N N . THR B 227 ? 0.2934 0.2981 0.2419 0.0243 -0.0694 0.0183 450 THR B N 4240 C CA . THR B 227 ? 0.2705 0.2681 0.2141 0.0246 -0.0762 0.0134 450 THR B CA 4241 C C . THR B 227 ? 0.3472 0.3409 0.2880 0.0248 -0.0854 0.0128 450 THR B C 4242 O O . THR B 227 ? 0.3310 0.3250 0.2710 0.0242 -0.0855 0.0172 450 THR B O 4243 C CB . THR B 227 ? 0.4340 0.4213 0.3654 0.0238 -0.0736 0.0141 450 THR B CB 4244 O OG1 . THR B 227 ? 0.3902 0.3717 0.3119 0.0226 -0.0716 0.0196 450 THR B OG1 4245 C CG2 . THR B 227 ? 0.4301 0.4208 0.3651 0.0239 -0.0654 0.0143 450 THR B CG2 4246 N N . PRO B 228 ? 0.3124 0.3019 0.2525 0.0256 -0.0936 0.0074 451 PRO B N 4247 C CA . PRO B 228 ? 0.3203 0.3069 0.2599 0.0262 -0.1033 0.0061 451 PRO B CA 4248 C C . PRO B 228 ? 0.3251 0.2992 0.2506 0.0244 -0.1065 0.0101 451 PRO B C 4249 O O . PRO B 228 ? 0.3569 0.3241 0.2722 0.0232 -0.1021 0.0121 451 PRO B O 4250 C CB . PRO B 228 ? 0.2854 0.2718 0.2299 0.0277 -0.1104 -0.0013 451 PRO B CB 4251 C CG . PRO B 228 ? 0.3575 0.3394 0.2973 0.0269 -0.1063 -0.0023 451 PRO B CG 4252 C CD . PRO B 228 ? 0.3201 0.3091 0.2631 0.0263 -0.0951 0.0019 451 PRO B CD 4253 N N . GLU B 229 ? 0.3476 0.3187 0.2724 0.0242 -0.1141 0.0112 452 GLU B N 4254 C CA . GLU B 229 ? 0.3696 0.3283 0.2808 0.0223 -0.1181 0.0152 452 GLU B CA 4255 C C . GLU B 229 ? 0.4578 0.4070 0.3619 0.0228 -0.1260 0.0101 452 GLU B C 4256 O O . GLU B 229 ? 0.3673 0.3192 0.2796 0.0247 -0.1331 0.0038 452 GLU B O 4257 C CB . GLU B 229 ? 0.4564 0.4137 0.3692 0.0216 -0.1247 0.0185 452 GLU B CB 4258 C CG . GLU B 229 ? 0.5958 0.5408 0.4942 0.0189 -0.1269 0.0244 452 GLU B CG 4259 C CD . GLU B 229 ? 0.7819 0.7232 0.6816 0.0179 -0.1358 0.0275 452 GLU B CD 4260 O OE1 . GLU B 229 ? 0.9178 0.8483 0.8090 0.0171 -0.1448 0.0272 452 GLU B OE1 4261 O OE2 . GLU B 229 ? 0.7932 0.7416 0.7022 0.0179 -0.1345 0.0303 452 GLU B OE2 4262 N N . TRP B 230 ? 0.3578 0.2960 0.2468 0.0213 -0.1247 0.0129 453 TRP B N 4263 C CA . TRP B 230 ? 0.4220 0.3492 0.3023 0.0218 -0.1332 0.0084 453 TRP B CA 4264 C C . TRP B 230 ? 0.5148 0.4286 0.3756 0.0198 -0.1331 0.0141 453 TRP B C 4265 O O . TRP B 230 ? 0.4701 0.3848 0.3261 0.0181 -0.1254 0.0211 453 TRP B O 4266 C CB . TRP B 230 ? 0.4923 0.4218 0.3761 0.0233 -0.1304 0.0026 453 TRP B CB 4267 C CG . TRP B 230 ? 0.5259 0.4539 0.4016 0.0228 -0.1198 0.0056 453 TRP B CG 4268 C CD1 . TRP B 230 ? 0.5534 0.4901 0.4338 0.0223 -0.1088 0.0098 453 TRP B CD1 4269 C CD2 . TRP B 230 ? 0.5546 0.4713 0.4158 0.0230 -0.1196 0.0043 453 TRP B CD2 4270 N NE1 . TRP B 230 ? 0.5678 0.4997 0.4382 0.0223 -0.1015 0.0111 453 TRP B NE1 4271 C CE2 . TRP B 230 ? 0.6063 0.5258 0.4644 0.0229 -0.1079 0.0076 453 TRP B CE2 4272 C CE3 . TRP B 230 ? 0.6066 0.5107 0.4571 0.0236 -0.1287 0.0004 453 TRP B CE3 4273 C CZ2 . TRP B 230 ? 0.6489 0.5591 0.4930 0.0236 -0.1048 0.0068 453 TRP B CZ2 4274 C CZ3 . TRP B 230 ? 0.6515 0.5459 0.4875 0.0242 -0.1258 -0.0003 453 TRP B CZ3 4275 C CH2 . TRP B 230 ? 0.6178 0.5155 0.4507 0.0244 -0.1139 0.0027 453 TRP B CH2 4276 N N . PRO B 231 ? 0.5091 0.4105 0.3587 0.0200 -0.1418 0.0112 454 PRO B N 4277 C CA . PRO B 231 ? 0.5693 0.4573 0.3990 0.0181 -0.1427 0.0171 454 PRO B CA 4278 C C . PRO B 231 ? 0.5810 0.4683 0.3998 0.0174 -0.1298 0.0220 454 PRO B C 4279 O O . PRO B 231 ? 0.6292 0.5110 0.4359 0.0154 -0.1263 0.0293 454 PRO B O 4280 C CB . PRO B 231 ? 0.6303 0.5057 0.4504 0.0192 -0.1534 0.0114 454 PRO B CB 4281 C CG . PRO B 231 ? 0.6684 0.5509 0.5066 0.0211 -0.1618 0.0040 454 PRO B CG 4282 C CD . PRO B 231 ? 0.5021 0.4011 0.3573 0.0219 -0.1522 0.0030 454 PRO B CD 4283 N N . GLY B 232 ? 0.4805 0.3734 0.3040 0.0191 -0.1228 0.0181 455 GLY B N 4284 C CA . GLY B 232 ? 0.6257 0.5179 0.4398 0.0192 -0.1110 0.0214 455 GLY B CA 4285 C C . GLY B 232 ? 0.6251 0.5287 0.4481 0.0181 -0.1001 0.0275 455 GLY B C 4286 O O . GLY B 232 ? 0.6768 0.5807 0.4932 0.0182 -0.0899 0.0308 455 GLY B O 4287 N N . SER B 233 ? 0.5735 0.4863 0.4116 0.0173 -0.1025 0.0288 456 SER B N 4288 C CA . SER B 233 ? 0.6564 0.5797 0.5040 0.0162 -0.0935 0.0344 456 SER B CA 4289 C C . SER B 233 ? 0.6623 0.5891 0.5183 0.0146 -0.0991 0.0382 456 SER B C 4290 O O . SER B 233 ? 0.6486 0.5854 0.5200 0.0154 -0.1002 0.0364 456 SER B O 4291 C CB . SER B 233 ? 0.8941 0.8291 0.7560 0.0179 -0.0873 0.0306 456 SER B CB 4292 O OG . SER B 233 ? 0.9784 0.9201 0.8542 0.0190 -0.0941 0.0256 456 SER B OG 4293 N N . ARG B 234 ? 0.6549 0.5729 0.5002 0.0125 -0.1030 0.0437 457 ARG B N 4294 C CA . ARG B 234 ? 0.7817 0.7013 0.6347 0.0108 -0.1096 0.0475 457 ARG B CA 4295 C C . ARG B 234 ? 0.7367 0.6634 0.5963 0.0088 -0.1015 0.0556 457 ARG B C 4296 O O . ARG B 234 ? 0.7676 0.7010 0.6406 0.0086 -0.1050 0.0565 457 ARG B O 4297 C CB . ARG B 234 ? 0.9646 0.8710 0.8051 0.0092 -0.1199 0.0494 457 ARG B CB 4298 C CG . ARG B 234 ? 1.0463 0.9465 0.8837 0.0113 -0.1299 0.0408 457 ARG B CG 4299 C CD . ARG B 234 ? 1.1595 1.0475 0.9883 0.0100 -0.1426 0.0419 457 ARG B CD 4300 N NE . ARG B 234 ? 1.2235 1.1065 1.0518 0.0124 -0.1524 0.0331 457 ARG B NE 4301 C CZ . ARG B 234 ? 1.3086 1.1809 1.1310 0.0121 -0.1652 0.0317 457 ARG B CZ 4302 N NH1 . ARG B 234 ? 1.3118 1.1806 1.1357 0.0145 -0.1736 0.0233 457 ARG B NH1 4303 N NH2 . ARG B 234 ? 1.3458 1.2107 1.1615 0.0092 -0.1700 0.0388 457 ARG B NH2 4304 N N . ASP B 235 ? 0.5750 0.5005 0.4259 0.0077 -0.0909 0.0610 458 ASP B N 4305 C CA . ASP B 235 ? 0.6176 0.5500 0.4756 0.0057 -0.0826 0.0689 458 ASP B CA 4306 C C . ASP B 235 ? 0.5896 0.5318 0.4550 0.0073 -0.0708 0.0680 458 ASP B C 4307 O O . ASP B 235 ? 0.4777 0.4255 0.3487 0.0060 -0.0628 0.0744 458 ASP B O 4308 C CB . ASP B 235 ? 0.7461 0.6710 0.5909 0.0027 -0.0791 0.0776 458 ASP B CB 4309 C CG . ASP B 235 ? 0.9144 0.8333 0.7591 -0.0001 -0.0896 0.0823 458 ASP B CG 4310 O OD1 . ASP B 235 ? 0.8271 0.7405 0.6708 0.0008 -0.1014 0.0769 458 ASP B OD1 4311 O OD2 . ASP B 235 ? 1.0184 0.9382 0.8651 -0.0033 -0.0863 0.0913 458 ASP B OD2 4312 N N . LYS B 236 ? 0.5600 0.5038 0.4259 0.0101 -0.0701 0.0604 459 LYS B N 4313 C CA . LYS B 236 ? 0.5029 0.4557 0.3773 0.0118 -0.0608 0.0587 459 LYS B CA 4314 C C . LYS B 236 ? 0.4590 0.4167 0.3430 0.0140 -0.0658 0.0508 459 LYS B C 4315 O O . LYS B 236 ? 0.4928 0.4454 0.3734 0.0147 -0.0747 0.0457 459 LYS B O 4316 C CB . LYS B 236 ? 0.5772 0.5255 0.4392 0.0128 -0.0520 0.0583 459 LYS B CB 4317 C CG . LYS B 236 ? 0.6965 0.6429 0.5508 0.0111 -0.0437 0.0664 459 LYS B CG 4318 C CD . LYS B 236 ? 0.8562 0.7997 0.6995 0.0131 -0.0342 0.0650 459 LYS B CD 4319 C CE . LYS B 236 ? 0.9999 0.9434 0.8370 0.0118 -0.0245 0.0731 459 LYS B CE 4320 N NZ . LYS B 236 ? 1.0478 0.9886 0.8737 0.0145 -0.0149 0.0712 459 LYS B NZ 4321 N N . ARG B 237 ? 0.3953 0.3631 0.2917 0.0151 -0.0604 0.0500 460 ARG B N 4322 C CA . ARG B 237 ? 0.3835 0.3568 0.2888 0.0171 -0.0636 0.0431 460 ARG B CA 4323 C C . ARG B 237 ? 0.4295 0.4087 0.3395 0.0182 -0.0543 0.0421 460 ARG B C 4324 O O . ARG B 237 ? 0.3893 0.3716 0.3012 0.0177 -0.0463 0.0469 460 ARG B O 4325 C CB . ARG B 237 ? 0.4498 0.4301 0.3675 0.0174 -0.0696 0.0426 460 ARG B CB 4326 C CG . ARG B 237 ? 0.5453 0.5192 0.4592 0.0166 -0.0803 0.0427 460 ARG B CG 4327 C CD . ARG B 237 ? 0.5487 0.5178 0.4587 0.0180 -0.0879 0.0354 460 ARG B CD 4328 N NE . ARG B 237 ? 0.5265 0.5048 0.4486 0.0202 -0.0894 0.0296 460 ARG B NE 4329 C CZ . ARG B 237 ? 0.5767 0.5598 0.5077 0.0214 -0.0962 0.0275 460 ARG B CZ 4330 N NH1 . ARG B 237 ? 0.4729 0.4517 0.4024 0.0204 -0.1027 0.0307 460 ARG B NH1 4331 N NH2 . ARG B 237 ? 0.4206 0.4127 0.3617 0.0237 -0.0963 0.0224 460 ARG B NH2 4332 N N . THR B 238 ? 0.3849 0.3654 0.2974 0.0198 -0.0555 0.0359 461 THR B N 4333 C CA . THR B 238 ? 0.3650 0.3506 0.2829 0.0207 -0.0477 0.0349 461 THR B CA 4334 C C . THR B 238 ? 0.3142 0.3107 0.2468 0.0214 -0.0478 0.0336 461 THR B C 4335 O O . THR B 238 ? 0.3448 0.3438 0.2823 0.0221 -0.0540 0.0292 461 THR B O 4336 C CB . THR B 238 ? 0.3967 0.3764 0.3082 0.0218 -0.0481 0.0295 461 THR B CB 4337 O OG1 . THR B 238 ? 0.4088 0.3776 0.3046 0.0216 -0.0482 0.0305 461 THR B OG1 4338 C CG2 . THR B 238 ? 0.3606 0.3449 0.2780 0.0227 -0.0404 0.0290 461 THR B CG2 4339 N N . LEU B 239 ? 0.2828 0.2856 0.2222 0.0213 -0.0409 0.0375 462 LEU B N 4340 C CA . LEU B 239 ? 0.3156 0.3282 0.2674 0.0220 -0.0402 0.0369 462 LEU B CA 4341 C C . LEU B 239 ? 0.3425 0.3576 0.2977 0.0226 -0.0341 0.0354 462 LEU B C 4342 O O . LEU B 239 ? 0.3348 0.3454 0.2847 0.0225 -0.0287 0.0364 462 LEU B O 4343 C CB . LEU B 239 ? 0.2880 0.3055 0.2458 0.0216 -0.0378 0.0425 462 LEU B CB 4344 C CG . LEU B 239 ? 0.3322 0.3466 0.2874 0.0206 -0.0432 0.0454 462 LEU B CG 4345 C CD1 . LEU B 239 ? 0.3099 0.3302 0.2740 0.0204 -0.0421 0.0502 462 LEU B CD1 4346 C CD2 . LEU B 239 ? 0.3586 0.3718 0.3131 0.0214 -0.0527 0.0406 462 LEU B CD2 4347 N N . ALA B 240 ? 0.2751 0.2972 0.2392 0.0232 -0.0348 0.0330 463 ALA B N 4348 C CA . ALA B 240 ? 0.2910 0.3159 0.2599 0.0234 -0.0296 0.0323 463 ALA B CA 4349 C C . ALA B 240 ? 0.3077 0.3422 0.2870 0.0236 -0.0277 0.0342 463 ALA B C 4350 O O . ALA B 240 ? 0.3532 0.3924 0.3359 0.0242 -0.0318 0.0338 463 ALA B O 4351 C CB . ALA B 240 ? 0.2970 0.3191 0.2650 0.0235 -0.0327 0.0270 463 ALA B CB 4352 N N . CYS B 241 ? 0.2756 0.3123 0.2592 0.0235 -0.0218 0.0361 464 CYS B N 4353 C CA . CYS B 241 ? 0.2476 0.2926 0.2401 0.0237 -0.0197 0.0383 464 CYS B CA 4354 C C . CYS B 241 ? 0.2797 0.3261 0.2769 0.0232 -0.0162 0.0373 464 CYS B C 4355 O O . CYS B 241 ? 0.3089 0.3500 0.3037 0.0230 -0.0130 0.0372 464 CYS B O 4356 C CB . CYS B 241 ? 0.2953 0.3415 0.2897 0.0238 -0.0162 0.0435 464 CYS B CB 4357 S SG . CYS B 241 ? 0.3275 0.3828 0.3309 0.0243 -0.0154 0.0462 464 CYS B SG 4358 N N . LEU B 242 ? 0.2550 0.3084 0.2586 0.0232 -0.0171 0.0367 465 LEU B N 4359 C CA . LEU B 242 ? 0.2536 0.3095 0.2633 0.0223 -0.0139 0.0369 465 LEU B CA 4360 C C . LEU B 242 ? 0.2642 0.3265 0.2792 0.0224 -0.0108 0.0413 465 LEU B C 4361 O O . LEU B 242 ? 0.2933 0.3616 0.3097 0.0232 -0.0127 0.0418 465 LEU B O 4362 C CB . LEU B 242 ? 0.2480 0.3076 0.2616 0.0219 -0.0171 0.0331 465 LEU B CB 4363 C CG . LEU B 242 ? 0.2714 0.3360 0.2935 0.0206 -0.0141 0.0342 465 LEU B CG 4364 C CD1 . LEU B 242 ? 0.2857 0.3438 0.3083 0.0196 -0.0113 0.0349 465 LEU B CD1 4365 C CD2 . LEU B 242 ? 0.2724 0.3416 0.2995 0.0202 -0.0173 0.0304 465 LEU B CD2 4366 N N . ILE B 243 ? 0.2300 0.2906 0.2479 0.0218 -0.0064 0.0443 466 ILE B N 4367 C CA . ILE B 243 ? 0.2782 0.3440 0.3014 0.0217 -0.0038 0.0487 466 ILE B CA 4368 C C . ILE B 243 ? 0.3013 0.3685 0.3304 0.0202 -0.0014 0.0495 466 ILE B C 4369 O O . ILE B 243 ? 0.2414 0.3031 0.2711 0.0195 -0.0001 0.0484 466 ILE B O 4370 C CB . ILE B 243 ? 0.2686 0.3311 0.2915 0.0222 -0.0010 0.0522 466 ILE B CB 4371 C CG1 . ILE B 243 ? 0.3188 0.3794 0.3367 0.0232 -0.0033 0.0520 466 ILE B CG1 4372 C CG2 . ILE B 243 ? 0.2948 0.3618 0.3231 0.0223 0.0007 0.0568 466 ILE B CG2 4373 C CD1 . ILE B 243 ? 0.4513 0.5046 0.4635 0.0232 -0.0024 0.0501 466 ILE B CD1 4374 N N . GLN B 244 ? 0.2636 0.3380 0.2970 0.0197 -0.0010 0.0514 467 GLN B N 4375 C CA . GLN B 244 ? 0.2333 0.3094 0.2730 0.0177 0.0008 0.0523 467 GLN B CA 4376 C C . GLN B 244 ? 0.3005 0.3832 0.3445 0.0170 0.0031 0.0571 467 GLN B C 4377 O O . GLN B 244 ? 0.2655 0.3525 0.3069 0.0184 0.0028 0.0589 467 GLN B O 4378 C CB . GLN B 244 ? 0.2568 0.3346 0.2980 0.0170 -0.0016 0.0480 467 GLN B CB 4379 C CG . GLN B 244 ? 0.2715 0.3572 0.3122 0.0181 -0.0035 0.0465 467 GLN B CG 4380 C CD . GLN B 244 ? 0.3249 0.4132 0.3698 0.0173 -0.0056 0.0425 467 GLN B CD 4381 O OE1 . GLN B 244 ? 0.3147 0.3969 0.3603 0.0164 -0.0073 0.0396 467 GLN B OE1 4382 N NE2 . GLN B 244 ? 0.3192 0.4166 0.3672 0.0178 -0.0055 0.0421 467 GLN B NE2 4383 N N . ASN B 245 ? 0.2686 0.3514 0.3189 0.0148 0.0050 0.0591 468 ASN B N 4384 C CA . ASN B 245 ? 0.2927 0.3815 0.3475 0.0133 0.0074 0.0641 468 ASN B CA 4385 C C . ASN B 245 ? 0.3548 0.4421 0.4087 0.0138 0.0089 0.0691 468 ASN B C 4386 O O . ASN B 245 ? 0.3168 0.4089 0.3718 0.0132 0.0103 0.0736 468 ASN B O 4387 C CB . ASN B 245 ? 0.3181 0.4163 0.3720 0.0139 0.0073 0.0634 468 ASN B CB 4388 C CG . ASN B 245 ? 0.3956 0.4965 0.4539 0.0128 0.0062 0.0594 468 ASN B CG 4389 O OD1 . ASN B 245 ? 0.3652 0.4613 0.4283 0.0110 0.0057 0.0583 468 ASN B OD1 4390 N ND2 . ASN B 245 ? 0.3334 0.4416 0.3906 0.0142 0.0054 0.0569 468 ASN B ND2 4391 N N . PHE B 246 ? 0.2677 0.3483 0.3198 0.0149 0.0085 0.0685 469 PHE B N 4392 C CA . PHE B 246 ? 0.2247 0.3034 0.2777 0.0155 0.0094 0.0730 469 PHE B CA 4393 C C . PHE B 246 ? 0.2660 0.3404 0.3254 0.0138 0.0110 0.0759 469 PHE B C 4394 O O . PHE B 246 ? 0.2698 0.3405 0.3323 0.0126 0.0111 0.0735 469 PHE B O 4395 C CB . PHE B 246 ? 0.2590 0.3337 0.3084 0.0178 0.0086 0.0714 469 PHE B CB 4396 C CG . PHE B 246 ? 0.3111 0.3796 0.3595 0.0181 0.0089 0.0672 469 PHE B CG 4397 C CD1 . PHE B 246 ? 0.2663 0.3345 0.3099 0.0185 0.0072 0.0626 469 PHE B CD1 4398 C CD2 . PHE B 246 ? 0.2150 0.2778 0.2667 0.0183 0.0108 0.0678 469 PHE B CD2 4399 C CE1 . PHE B 246 ? 0.2922 0.3540 0.3330 0.0190 0.0073 0.0589 469 PHE B CE1 4400 C CE2 . PHE B 246 ? 0.3133 0.3701 0.3624 0.0191 0.0114 0.0637 469 PHE B CE2 4401 C CZ . PHE B 246 ? 0.2862 0.3424 0.3292 0.0194 0.0097 0.0594 469 PHE B CZ 4402 N N . MET B 247 ? 0.2452 0.3195 0.3067 0.0137 0.0115 0.0810 470 MET B N 4403 C CA . MET B 247 ? 0.2402 0.3095 0.3081 0.0124 0.0123 0.0840 470 MET B CA 4404 C C . MET B 247 ? 0.2464 0.3143 0.3148 0.0138 0.0118 0.0880 470 MET B C 4405 O O . MET B 247 ? 0.2902 0.3624 0.3548 0.0144 0.0109 0.0906 470 MET B O 4406 C CB . MET B 247 ? 0.2745 0.3468 0.3469 0.0093 0.0129 0.0880 470 MET B CB 4407 C CG . MET B 247 ? 0.4562 0.5270 0.5330 0.0072 0.0128 0.0851 470 MET B CG 4408 S SD . MET B 247 ? 0.5930 0.6668 0.6776 0.0030 0.0136 0.0917 470 MET B SD 4409 C CE . MET B 247 ? 0.6666 0.7306 0.7581 0.0026 0.0122 0.0935 470 MET B CE 4410 N N . PRO B 248 ? 0.3499 0.4118 0.4232 0.0145 0.0121 0.0881 471 PRO B N 4411 C CA . PRO B 248 ? 0.3108 0.3669 0.3878 0.0144 0.0129 0.0846 471 PRO B CA 4412 C C . PRO B 248 ? 0.2679 0.3226 0.3399 0.0163 0.0136 0.0788 471 PRO B C 4413 O O . PRO B 248 ? 0.2716 0.3302 0.3381 0.0172 0.0132 0.0778 471 PRO B O 4414 C CB . PRO B 248 ? 0.4123 0.4634 0.4953 0.0156 0.0130 0.0867 471 PRO B CB 4415 C CG . PRO B 248 ? 0.4878 0.5421 0.5704 0.0160 0.0118 0.0918 471 PRO B CG 4416 C CD . PRO B 248 ? 0.4297 0.4901 0.5049 0.0162 0.0113 0.0912 471 PRO B CD 4417 N N . GLU B 249 ? 0.3126 0.3614 0.3860 0.0172 0.0144 0.0750 472 GLU B N 4418 C CA . GLU B 249 ? 0.2880 0.3347 0.3552 0.0188 0.0151 0.0695 472 GLU B CA 4419 C C . GLU B 249 ? 0.3098 0.3565 0.3741 0.0212 0.0168 0.0692 472 GLU B C 4420 O O . GLU B 249 ? 0.3383 0.3845 0.3962 0.0222 0.0171 0.0658 472 GLU B O 4421 C CB . GLU B 249 ? 0.2981 0.3379 0.3661 0.0192 0.0150 0.0652 472 GLU B CB 4422 C CG . GLU B 249 ? 0.3871 0.4214 0.4582 0.0217 0.0170 0.0643 472 GLU B CG 4423 C CD . GLU B 249 ? 0.5677 0.5947 0.6363 0.0231 0.0167 0.0586 472 GLU B CD 4424 O OE1 . GLU B 249 ? 0.5719 0.5962 0.6339 0.0257 0.0188 0.0548 472 GLU B OE1 4425 O OE2 . GLU B 249 ? 0.6127 0.6366 0.6857 0.0216 0.0143 0.0580 472 GLU B OE2 4426 N N . ASP B 250 ? 0.3178 0.3651 0.3874 0.0221 0.0176 0.0728 473 ASP B N 4427 C CA . ASP B 250 ? 0.3275 0.3752 0.3967 0.0242 0.0193 0.0731 473 ASP B CA 4428 C C . ASP B 250 ? 0.3195 0.3716 0.3831 0.0241 0.0178 0.0733 473 ASP B C 4429 O O . ASP B 250 ? 0.2555 0.3117 0.3192 0.0232 0.0153 0.0763 473 ASP B O 4430 C CB . ASP B 250 ? 0.3419 0.3902 0.4193 0.0250 0.0193 0.0774 473 ASP B CB 4431 C CG . ASP B 250 ? 0.5156 0.5594 0.5997 0.0252 0.0198 0.0777 473 ASP B CG 4432 O OD1 . ASP B 250 ? 0.5019 0.5431 0.5909 0.0274 0.0221 0.0766 473 ASP B OD1 4433 O OD2 . ASP B 250 ? 0.4848 0.5281 0.5702 0.0231 0.0178 0.0792 473 ASP B OD2 4434 N N . ILE B 251 ? 0.2481 0.2990 0.3065 0.0251 0.0191 0.0703 474 ILE B N 4435 C CA . ILE B 251 ? 0.2729 0.3271 0.3263 0.0249 0.0170 0.0704 474 ILE B CA 4436 C C . ILE B 251 ? 0.3019 0.3544 0.3529 0.0262 0.0193 0.0695 474 ILE B C 4437 O O . ILE B 251 ? 0.3271 0.3755 0.3765 0.0273 0.0227 0.0670 474 ILE B O 4438 C CB . ILE B 251 ? 0.2893 0.3445 0.3363 0.0236 0.0144 0.0673 474 ILE B CB 4439 C CG1 . ILE B 251 ? 0.2923 0.3519 0.3358 0.0236 0.0110 0.0679 474 ILE B CG1 4440 C CG2 . ILE B 251 ? 0.3168 0.3670 0.3581 0.0240 0.0156 0.0626 474 ILE B CG2 4441 C CD1 . ILE B 251 ? 0.2926 0.3555 0.3332 0.0225 0.0084 0.0661 474 ILE B CD1 4442 N N . SER B 252 ? 0.2717 0.3272 0.3227 0.0262 0.0174 0.0716 475 SER B N 4443 C CA . SER B 252 ? 0.3058 0.3602 0.3541 0.0268 0.0192 0.0714 475 SER B CA 4444 C C . SER B 252 ? 0.3153 0.3705 0.3562 0.0260 0.0152 0.0699 475 SER B C 4445 O O . SER B 252 ? 0.3196 0.3781 0.3613 0.0256 0.0109 0.0711 475 SER B O 4446 C CB . SER B 252 ? 0.2754 0.3323 0.3321 0.0275 0.0202 0.0757 475 SER B CB 4447 O OG . SER B 252 ? 0.3066 0.3627 0.3710 0.0286 0.0236 0.0768 475 SER B OG 4448 N N . VAL B 253 ? 0.2610 0.3126 0.2943 0.0260 0.0164 0.0671 476 VAL B N 4449 C CA . VAL B 253 ? 0.2578 0.3092 0.2840 0.0252 0.0121 0.0653 476 VAL B CA 4450 C C . VAL B 253 ? 0.2875 0.3374 0.3113 0.0252 0.0131 0.0671 476 VAL B C 4451 O O . VAL B 253 ? 0.3277 0.3746 0.3494 0.0258 0.0181 0.0672 476 VAL B O 4452 C CB . VAL B 253 ? 0.2893 0.3370 0.3080 0.0250 0.0113 0.0604 476 VAL B CB 4453 C CG1 . VAL B 253 ? 0.3349 0.3813 0.3461 0.0245 0.0068 0.0583 476 VAL B CG1 4454 C CG2 . VAL B 253 ? 0.3541 0.4041 0.3764 0.0245 0.0099 0.0593 476 VAL B CG2 4455 N N . GLN B 254 ? 0.3073 0.2962 0.2578 0.0300 0.0099 0.0017 477 GLN B N 4456 C CA . GLN B 254 ? 0.3378 0.3389 0.2948 0.0316 0.0120 0.0026 477 GLN B CA 4457 C C . GLN B 254 ? 0.3409 0.3478 0.3013 0.0279 0.0140 0.0063 477 GLN B C 4458 O O . GLN B 254 ? 0.2900 0.2915 0.2480 0.0256 0.0139 0.0079 477 GLN B O 4459 C CB . GLN B 254 ? 0.3489 0.3503 0.3093 0.0348 0.0105 0.0032 477 GLN B CB 4460 C CG . GLN B 254 ? 0.4703 0.4666 0.4282 0.0388 0.0083 -0.0006 477 GLN B CG 4461 C CD . GLN B 254 ? 0.6474 0.6336 0.6040 0.0393 0.0058 0.0000 477 GLN B CD 4462 O OE1 . GLN B 254 ? 0.5953 0.5832 0.5556 0.0395 0.0057 0.0029 477 GLN B OE1 4463 N NE2 . GLN B 254 ? 0.8893 0.8644 0.8405 0.0392 0.0030 -0.0025 477 GLN B NE2 4464 N N . TRP B 255 ? 0.2693 0.2882 0.2358 0.0277 0.0153 0.0078 478 TRP B N 4465 C CA . TRP B 255 ? 0.2337 0.2582 0.2053 0.0246 0.0156 0.0114 478 TRP B CA 4466 C C . TRP B 255 ? 0.2627 0.2932 0.2417 0.0262 0.0132 0.0143 478 TRP B C 4467 O O . TRP B 255 ? 0.2819 0.3205 0.2647 0.0285 0.0130 0.0148 478 TRP B O 4468 C CB . TRP B 255 ? 0.2306 0.2644 0.2048 0.0217 0.0178 0.0121 478 TRP B CB 4469 C CG . TRP B 255 ? 0.2926 0.3203 0.2607 0.0190 0.0194 0.0108 478 TRP B CG 4470 C CD1 . TRP B 255 ? 0.2591 0.2827 0.2216 0.0198 0.0196 0.0078 478 TRP B CD1 4471 C CD2 . TRP B 255 ? 0.2447 0.2702 0.2123 0.0153 0.0203 0.0129 478 TRP B CD2 4472 N NE1 . TRP B 255 ? 0.2806 0.2991 0.2395 0.0160 0.0203 0.0088 478 TRP B NE1 4473 C CE2 . TRP B 255 ? 0.2789 0.2994 0.2408 0.0132 0.0213 0.0120 478 TRP B CE2 4474 C CE3 . TRP B 255 ? 0.2455 0.2728 0.2169 0.0139 0.0196 0.0153 478 TRP B CE3 4475 C CZ2 . TRP B 255 ? 0.2949 0.3135 0.2551 0.0094 0.0225 0.0143 478 TRP B CZ2 4476 C CZ3 . TRP B 255 ? 0.2998 0.3255 0.2692 0.0109 0.0209 0.0164 478 TRP B CZ3 4477 C CH2 . TRP B 255 ? 0.3315 0.3535 0.2955 0.0085 0.0227 0.0164 478 TRP B CH2 4478 N N . LEU B 256 ? 0.2669 0.2942 0.2480 0.0253 0.0109 0.0164 479 LEU B N 4479 C CA . LEU B 256 ? 0.2855 0.3160 0.2736 0.0265 0.0068 0.0198 479 LEU B CA 4480 C C . LEU B 256 ? 0.3277 0.3651 0.3230 0.0234 0.0043 0.0232 479 LEU B C 4481 O O . LEU B 256 ? 0.2791 0.3133 0.2719 0.0216 0.0051 0.0220 479 LEU B O 4482 C CB . LEU B 256 ? 0.2897 0.3082 0.2738 0.0289 0.0041 0.0188 479 LEU B CB 4483 C CG . LEU B 256 ? 0.3054 0.3143 0.2814 0.0309 0.0059 0.0154 479 LEU B CG 4484 C CD1 . LEU B 256 ? 0.3614 0.3597 0.3334 0.0326 0.0033 0.0150 479 LEU B CD1 4485 C CD2 . LEU B 256 ? 0.3193 0.3323 0.2976 0.0332 0.0062 0.0151 479 LEU B CD2 4486 N N . HIS B 257 ? 0.2414 0.2885 0.2461 0.0228 0.0006 0.0279 480 HIS B N 4487 C CA . HIS B 257 ? 0.2482 0.3020 0.2616 0.0195 -0.0038 0.0319 480 HIS B CA 4488 C C . HIS B 257 ? 0.3107 0.3687 0.3335 0.0198 -0.0110 0.0377 480 HIS B C 4489 O O . HIS B 257 ? 0.2879 0.3559 0.3154 0.0202 -0.0110 0.0414 480 HIS B O 4490 C CB . HIS B 257 ? 0.2644 0.3317 0.2820 0.0156 -0.0008 0.0337 480 HIS B CB 4491 C CG . HIS B 257 ? 0.3289 0.4044 0.3570 0.0114 -0.0061 0.0387 480 HIS B CG 4492 N ND1 . HIS B 257 ? 0.3516 0.4431 0.3904 0.0086 -0.0090 0.0453 480 HIS B ND1 4493 C CD2 . HIS B 257 ? 0.2826 0.3530 0.3126 0.0096 -0.0098 0.0383 480 HIS B CD2 4494 C CE1 . HIS B 257 ? 0.3560 0.4510 0.4032 0.0045 -0.0149 0.0491 480 HIS B CE1 4495 N NE2 . HIS B 257 ? 0.2841 0.3659 0.3261 0.0054 -0.0155 0.0444 480 HIS B NE2 4496 N N . ASN B 258 ? 0.3077 0.3587 0.3333 0.0200 -0.0179 0.0387 481 ASN B N 4497 C CA . ASN B 258 ? 0.3006 0.3550 0.3364 0.0194 -0.0270 0.0453 481 ASN B CA 4498 C C . ASN B 258 ? 0.3168 0.3699 0.3524 0.0224 -0.0275 0.0474 481 ASN B C 4499 O O . ASN B 258 ? 0.3155 0.3797 0.3607 0.0210 -0.0315 0.0546 481 ASN B O 4500 C CB . ASN B 258 ? 0.3190 0.3907 0.3668 0.0143 -0.0296 0.0522 481 ASN B CB 4501 C CG . ASN B 258 ? 0.3854 0.4598 0.4454 0.0123 -0.0416 0.0599 481 ASN B CG 4502 O OD1 . ASN B 258 ? 0.4317 0.4929 0.4909 0.0147 -0.0488 0.0584 481 ASN B OD1 4503 N ND2 . ASN B 258 ? 0.3599 0.4518 0.4314 0.0082 -0.0445 0.0685 481 ASN B ND2 4504 N N . GLU B 259 ? 0.2467 0.2872 0.2718 0.0263 -0.0236 0.0417 482 GLU B N 4505 C CA . GLU B 259 ? 0.3387 0.3753 0.3624 0.0293 -0.0240 0.0427 482 GLU B CA 4506 C C . GLU B 259 ? 0.3347 0.3829 0.3591 0.0298 -0.0181 0.0434 482 GLU B C 4507 O O . GLU B 259 ? 0.3060 0.3544 0.3313 0.0322 -0.0186 0.0452 482 GLU B O 4508 C CB . GLU B 259 ? 0.4351 0.4709 0.4678 0.0294 -0.0340 0.0495 482 GLU B CB 4509 C CG . GLU B 259 ? 0.6862 0.7116 0.7194 0.0297 -0.0421 0.0487 482 GLU B CG 4510 C CD . GLU B 259 ? 0.9684 0.9776 0.9893 0.0338 -0.0398 0.0408 482 GLU B CD 4511 O OE1 . GLU B 259 ? 1.1047 1.1072 1.1190 0.0363 -0.0363 0.0385 482 GLU B OE1 4512 O OE2 . GLU B 259 ? 1.0557 1.0601 1.0738 0.0346 -0.0419 0.0372 482 GLU B OE2 4513 N N . VAL B 260 ? 0.2187 0.2766 0.2425 0.0278 -0.0128 0.0418 483 VAL B N 4514 C CA . VAL B 260 ? 0.2364 0.3049 0.2590 0.0295 -0.0072 0.0407 483 VAL B CA 4515 C C . VAL B 260 ? 0.3145 0.3739 0.3257 0.0311 -0.0009 0.0326 483 VAL B C 4516 O O . VAL B 260 ? 0.3004 0.3542 0.3074 0.0288 0.0007 0.0298 483 VAL B O 4517 C CB . VAL B 260 ? 0.2903 0.3792 0.3213 0.0266 -0.0066 0.0457 483 VAL B CB 4518 C CG1 . VAL B 260 ? 0.3193 0.4200 0.3479 0.0300 -0.0010 0.0436 483 VAL B CG1 4519 C CG2 . VAL B 260 ? 0.3448 0.4438 0.3886 0.0239 -0.0143 0.0554 483 VAL B CG2 4520 N N . GLN B 261 ? 0.2570 0.3147 0.2634 0.0349 0.0018 0.0292 484 GLN B N 4521 C CA . GLN B 261 ? 0.2615 0.3126 0.2585 0.0362 0.0063 0.0222 484 GLN B CA 4522 C C . GLN B 261 ? 0.3386 0.4048 0.3372 0.0364 0.0096 0.0217 484 GLN B C 4523 O O . GLN B 261 ? 0.2728 0.3514 0.2748 0.0397 0.0101 0.0229 484 GLN B O 4524 C CB . GLN B 261 ? 0.2765 0.3182 0.2681 0.0404 0.0063 0.0184 484 GLN B CB 4525 C CG . GLN B 261 ? 0.2910 0.3263 0.2741 0.0422 0.0090 0.0117 484 GLN B CG 4526 C CD . GLN B 261 ? 0.5494 0.5780 0.5292 0.0467 0.0078 0.0082 484 GLN B CD 4527 O OE1 . GLN B 261 ? 0.6527 0.6855 0.6303 0.0506 0.0087 0.0041 484 GLN B OE1 4528 N NE2 . GLN B 261 ? 0.4815 0.4995 0.4609 0.0466 0.0053 0.0095 484 GLN B NE2 4529 N N . LEU B 262 ? 0.2581 0.3243 0.2542 0.0333 0.0117 0.0201 485 LEU B N 4530 C CA . LEU B 262 ? 0.2513 0.3323 0.2492 0.0330 0.0144 0.0200 485 LEU B CA 4531 C C . LEU B 262 ? 0.3169 0.3984 0.3083 0.0386 0.0165 0.0140 485 LEU B C 4532 O O . LEU B 262 ? 0.3105 0.3770 0.2945 0.0409 0.0160 0.0090 485 LEU B O 4533 C CB . LEU B 262 ? 0.2603 0.3388 0.2563 0.0282 0.0160 0.0194 485 LEU B CB 4534 C CG . LEU B 262 ? 0.3017 0.3814 0.3046 0.0232 0.0134 0.0246 485 LEU B CG 4535 C CD1 . LEU B 262 ? 0.2689 0.3474 0.2698 0.0188 0.0155 0.0236 485 LEU B CD1 4536 C CD2 . LEU B 262 ? 0.3633 0.4600 0.3776 0.0218 0.0104 0.0316 485 LEU B CD2 4537 N N . PRO B 263 ? 0.3237 0.4230 0.3178 0.0411 0.0182 0.0144 486 PRO B N 4538 C CA . PRO B 263 ? 0.3144 0.4151 0.3019 0.0477 0.0194 0.0076 486 PRO B CA 4539 C C . PRO B 263 ? 0.3601 0.4450 0.3380 0.0470 0.0196 0.0011 486 PRO B C 4540 O O . PRO B 263 ? 0.3249 0.4073 0.3025 0.0416 0.0206 0.0027 486 PRO B O 4541 C CB . PRO B 263 ? 0.3087 0.4339 0.3011 0.0493 0.0215 0.0101 486 PRO B CB 4542 C CG . PRO B 263 ? 0.3477 0.4855 0.3516 0.0444 0.0202 0.0199 486 PRO B CG 4543 C CD . PRO B 263 ? 0.3342 0.4544 0.3382 0.0382 0.0183 0.0215 486 PRO B CD 4544 N N . ASP B 264 ? 0.3370 0.4111 0.3077 0.0523 0.0179 -0.0055 487 ASP B N 4545 C CA . ASP B 264 ? 0.4613 0.5202 0.4233 0.0518 0.0163 -0.0110 487 ASP B CA 4546 C C . ASP B 264 ? 0.4584 0.5261 0.4189 0.0509 0.0181 -0.0121 487 ASP B C 4547 O O . ASP B 264 ? 0.3895 0.4468 0.3458 0.0468 0.0175 -0.0127 487 ASP B O 4548 C CB . ASP B 264 ? 0.5916 0.6410 0.5474 0.0587 0.0126 -0.0182 487 ASP B CB 4549 C CG . ASP B 264 ? 0.8606 0.9027 0.8183 0.0599 0.0109 -0.0171 487 ASP B CG 4550 O OD1 . ASP B 264 ? 0.9104 0.9486 0.8718 0.0546 0.0117 -0.0116 487 ASP B OD1 4551 O OD2 . ASP B 264 ? 0.9152 0.9552 0.8707 0.0664 0.0082 -0.0222 487 ASP B OD2 4552 N N . ALA B 265 ? 0.3392 0.4270 0.3033 0.0547 0.0201 -0.0117 488 ALA B N 4553 C CA . ALA B 265 ? 0.3581 0.4566 0.3207 0.0546 0.0218 -0.0129 488 ALA B CA 4554 C C . ALA B 265 ? 0.3532 0.4519 0.3196 0.0455 0.0238 -0.0071 488 ALA B C 4555 O O . ALA B 265 ? 0.3339 0.4334 0.2970 0.0439 0.0244 -0.0087 488 ALA B O 4556 C CB . ALA B 265 ? 0.4497 0.5735 0.4166 0.0602 0.0239 -0.0122 488 ALA B CB 4557 N N . ARG B 266 ? 0.3051 0.4029 0.2783 0.0400 0.0242 -0.0007 489 ARG B N 4558 C CA . ARG B 266 ? 0.2716 0.3704 0.2494 0.0320 0.0253 0.0046 489 ARG B CA 4559 C C . ARG B 266 ? 0.3066 0.3877 0.2775 0.0283 0.0249 0.0023 489 ARG B C 4560 O O . ARG B 266 ? 0.3404 0.4235 0.3131 0.0229 0.0262 0.0049 489 ARG B O 4561 C CB . ARG B 266 ? 0.2902 0.3893 0.2760 0.0282 0.0242 0.0108 489 ARG B CB 4562 C CG . ARG B 266 ? 0.2632 0.3822 0.2590 0.0288 0.0237 0.0166 489 ARG B CG 4563 C CD . ARG B 266 ? 0.2973 0.4335 0.2999 0.0240 0.0247 0.0214 489 ARG B CD 4564 N NE . ARG B 266 ? 0.3122 0.4407 0.3173 0.0168 0.0239 0.0241 489 ARG B NE 4565 C CZ . ARG B 266 ? 0.3607 0.4886 0.3737 0.0126 0.0208 0.0296 489 ARG B CZ 4566 N NH1 . ARG B 266 ? 0.2964 0.4300 0.3157 0.0143 0.0177 0.0337 489 ARG B NH1 4567 N NH2 . ARG B 266 ? 0.3663 0.4875 0.3809 0.0072 0.0200 0.0309 489 ARG B NH2 4568 N N . HIS B 267 ? 0.3292 0.3938 0.2931 0.0307 0.0227 -0.0017 490 HIS B N 4569 C CA . HIS B 267 ? 0.3283 0.3776 0.2868 0.0266 0.0217 -0.0020 490 HIS B CA 4570 C C . HIS B 267 ? 0.4252 0.4643 0.3751 0.0302 0.0186 -0.0078 490 HIS B C 4571 O O . HIS B 267 ? 0.4147 0.4554 0.3619 0.0370 0.0167 -0.0128 490 HIS B O 4572 C CB . HIS B 267 ? 0.3389 0.3767 0.2975 0.0241 0.0208 0.0005 490 HIS B CB 4573 C CG . HIS B 267 ? 0.3443 0.3761 0.3010 0.0290 0.0185 -0.0021 490 HIS B CG 4574 N ND1 . HIS B 267 ? 0.4228 0.4410 0.3727 0.0311 0.0149 -0.0058 490 HIS B ND1 4575 C CD2 . HIS B 267 ? 0.3209 0.3584 0.2823 0.0317 0.0185 -0.0009 490 HIS B CD2 4576 C CE1 . HIS B 267 ? 0.4906 0.5062 0.4410 0.0350 0.0133 -0.0073 490 HIS B CE1 4577 N NE2 . HIS B 267 ? 0.3910 0.4181 0.3480 0.0355 0.0157 -0.0044 490 HIS B NE2 4578 N N . SER B 268 ? 0.3483 0.3774 0.2943 0.0258 0.0175 -0.0069 491 SER B N 4579 C CA . SER B 268 ? 0.3865 0.4027 0.3245 0.0280 0.0125 -0.0112 491 SER B CA 4580 C C . SER B 268 ? 0.4644 0.4649 0.3997 0.0244 0.0093 -0.0086 491 SER B C 4581 O O . SER B 268 ? 0.3922 0.3906 0.3290 0.0181 0.0111 -0.0032 491 SER B O 4582 C CB . SER B 268 ? 0.4392 0.4570 0.3751 0.0253 0.0128 -0.0110 491 SER B CB 4583 O OG . SER B 268 ? 0.4759 0.4806 0.4041 0.0280 0.0065 -0.0154 491 SER B OG 4584 N N . THR B 269 ? 0.3683 0.3594 0.3003 0.0285 0.0046 -0.0120 492 THR B N 4585 C CA . THR B 269 ? 0.3486 0.3272 0.2789 0.0251 0.0014 -0.0087 492 THR B CA 4586 C C . THR B 269 ? 0.4680 0.4320 0.3924 0.0268 -0.0071 -0.0118 492 THR B C 4587 O O . THR B 269 ? 0.3911 0.3531 0.3129 0.0336 -0.0111 -0.0186 492 THR B O 4588 C CB . THR B 269 ? 0.4546 0.4353 0.3881 0.0273 0.0029 -0.0085 492 THR B CB 4589 O OG1 . THR B 269 ? 0.4855 0.4786 0.4250 0.0254 0.0091 -0.0051 492 THR B OG1 4590 C CG2 . THR B 269 ? 0.3725 0.3419 0.3042 0.0239 -0.0004 -0.0050 492 THR B CG2 4591 N N . THR B 270 ? 0.3420 0.2965 0.2645 0.0208 -0.0106 -0.0065 493 THR B N 4592 C CA . THR B 270 ? 0.4218 0.3616 0.3395 0.0212 -0.0205 -0.0080 493 THR B CA 4593 C C . THR B 270 ? 0.4545 0.3854 0.3716 0.0235 -0.0264 -0.0095 493 THR B C 4594 O O . THR B 270 ? 0.4195 0.3543 0.3396 0.0225 -0.0225 -0.0071 493 THR B O 4595 C CB . THR B 270 ? 0.4655 0.3991 0.3823 0.0134 -0.0233 -0.0002 493 THR B CB 4596 O OG1 . THR B 270 ? 0.4149 0.3510 0.3345 0.0081 -0.0202 0.0072 493 THR B OG1 4597 C CG2 . THR B 270 ? 0.4614 0.4025 0.3788 0.0111 -0.0182 0.0011 493 THR B CG2 4598 N N . GLN B 271 ? 0.4311 0.3497 0.3445 0.0267 -0.0365 -0.0139 494 GLN B N 4599 C CA . GLN B 271 ? 0.4986 0.4064 0.4119 0.0273 -0.0442 -0.0143 494 GLN B CA 4600 C C . GLN B 271 ? 0.5183 0.4200 0.4325 0.0181 -0.0479 -0.0040 494 GLN B C 4601 O O . GLN B 271 ? 0.4482 0.3487 0.3615 0.0131 -0.0490 0.0012 494 GLN B O 4602 C CB . GLN B 271 ? 0.5786 0.4744 0.4878 0.0339 -0.0555 -0.0224 494 GLN B CB 4603 C CG . GLN B 271 ? 0.6979 0.6023 0.6059 0.0443 -0.0521 -0.0327 494 GLN B CG 4604 C CD . GLN B 271 ? 0.7227 0.6362 0.6346 0.0472 -0.0455 -0.0340 494 GLN B CD 4605 O OE1 . GLN B 271 ? 0.7240 0.6305 0.6377 0.0452 -0.0488 -0.0318 494 GLN B OE1 4606 N NE2 . GLN B 271 ? 0.7150 0.6444 0.6286 0.0517 -0.0365 -0.0369 494 GLN B NE2 4607 N N . PRO B 272 ? 0.4827 0.3817 0.3989 0.0158 -0.0497 -0.0006 495 PRO B N 4608 C CA . PRO B 272 ? 0.4784 0.3749 0.3957 0.0073 -0.0529 0.0099 495 PRO B CA 4609 C C . PRO B 272 ? 0.4995 0.3847 0.4153 0.0031 -0.0643 0.0142 495 PRO B C 4610 O O . PRO B 272 ? 0.5112 0.3839 0.4250 0.0069 -0.0750 0.0086 495 PRO B O 4611 C CB . PRO B 272 ? 0.4478 0.3399 0.3667 0.0076 -0.0567 0.0101 495 PRO B CB 4612 C CG . PRO B 272 ? 0.4386 0.3368 0.3582 0.0152 -0.0496 0.0016 495 PRO B CG 4613 C CD . PRO B 272 ? 0.4944 0.3935 0.4119 0.0212 -0.0492 -0.0061 495 PRO B CD 4614 N N . ARG B 273 ? 0.4276 0.3172 0.3443 -0.0044 -0.0626 0.0242 496 ARG B N 4615 C CA . ARG B 273 ? 0.4780 0.3580 0.3943 -0.0103 -0.0739 0.0315 496 ARG B CA 4616 C C . ARG B 273 ? 0.5208 0.4059 0.4402 -0.0187 -0.0753 0.0444 496 ARG B C 4617 O O . ARG B 273 ? 0.4455 0.3441 0.3663 -0.0202 -0.0646 0.0480 496 ARG B O 4618 C CB . ARG B 273 ? 0.5797 0.4624 0.4946 -0.0117 -0.0706 0.0327 496 ARG B CB 4619 C CG . ARG B 273 ? 0.8063 0.6785 0.7172 -0.0055 -0.0770 0.0232 496 ARG B CG 4620 C CD . ARG B 273 ? 1.0338 0.9045 0.9434 -0.0096 -0.0782 0.0279 496 ARG B CD 4621 N NE . ARG B 273 ? 1.2211 1.0789 1.1263 -0.0042 -0.0879 0.0200 496 ARG B NE 4622 C CZ . ARG B 273 ? 1.4013 1.2423 1.3050 -0.0047 -0.1042 0.0208 496 ARG B CZ 4623 N NH1 . ARG B 273 ? 1.4436 1.2796 1.3509 -0.0111 -0.1125 0.0301 496 ARG B NH1 4624 N NH2 . ARG B 273 ? 1.4870 1.3166 1.3859 0.0015 -0.1129 0.0124 496 ARG B NH2 4625 N N . LYS B 274 ? 0.5907 0.4656 0.5112 -0.0240 -0.0890 0.0516 497 LYS B N 4626 C CA . LYS B 274 ? 0.6124 0.4944 0.5363 -0.0325 -0.0913 0.0654 497 LYS B CA 4627 C C . LYS B 274 ? 0.6256 0.5213 0.5502 -0.0373 -0.0826 0.0742 497 LYS B C 4628 O O . LYS B 274 ? 0.5538 0.4468 0.4771 -0.0374 -0.0823 0.0734 497 LYS B O 4629 C CB . LYS B 274 ? 0.6530 0.5217 0.5791 -0.0382 -0.1095 0.0729 497 LYS B CB 4630 C CG . LYS B 274 ? 0.7511 0.6059 0.6775 -0.0343 -0.1202 0.0655 497 LYS B CG 4631 C CD . LYS B 274 ? 1.0086 0.8492 0.9380 -0.0406 -0.1403 0.0737 497 LYS B CD 4632 C CE . LYS B 274 ? 1.1345 0.9581 1.0639 -0.0353 -0.1530 0.0640 497 LYS B CE 4633 N NZ . LYS B 274 ? 1.1557 0.9844 1.0873 -0.0346 -0.1491 0.0625 497 LYS B NZ 4634 N N . THR B 275 ? 0.5922 0.5029 0.5187 -0.0409 -0.0757 0.0822 498 THR B N 4635 C CA . THR B 275 ? 0.5981 0.5232 0.5257 -0.0457 -0.0690 0.0922 498 THR B CA 4636 C C . THR B 275 ? 0.6771 0.5982 0.6073 -0.0542 -0.0816 0.1057 498 THR B C 4637 O O . THR B 275 ? 0.6743 0.5809 0.6054 -0.0560 -0.0957 0.1064 498 THR B O 4638 C CB . THR B 275 ? 0.5247 0.4677 0.4530 -0.0461 -0.0595 0.0969 498 THR B CB 4639 O OG1 . THR B 275 ? 0.5437 0.4877 0.4741 -0.0509 -0.0680 0.1056 498 THR B OG1 4640 C CG2 . THR B 275 ? 0.5817 0.5272 0.5080 -0.0380 -0.0490 0.0845 498 THR B CG2 4641 N N . LYS B 276 ? 0.5795 0.5137 0.5113 -0.0593 -0.0775 0.1166 499 LYS B N 4642 C CA . LYS B 276 ? 0.5983 0.5315 0.5335 -0.0682 -0.0893 0.1318 499 LYS B CA 4643 C C . LYS B 276 ? 0.6499 0.5912 0.5886 -0.0736 -0.0957 0.1430 499 LYS B C 4644 O O . LYS B 276 ? 0.7577 0.7009 0.7005 -0.0819 -0.1067 0.1578 499 LYS B O 4645 C CB . LYS B 276 ? 0.6387 0.5851 0.5750 -0.0718 -0.0822 0.1405 499 LYS B CB 4646 C CG . LYS B 276 ? 0.6495 0.5873 0.5832 -0.0684 -0.0781 0.1316 499 LYS B CG 4647 C CD . LYS B 276 ? 0.7189 0.6344 0.6517 -0.0693 -0.0930 0.1293 499 LYS B CD 4648 C CE . LYS B 276 ? 0.7278 0.6358 0.6574 -0.0652 -0.0884 0.1196 499 LYS B CE 4649 N NZ . LYS B 276 ? 0.7121 0.5989 0.6400 -0.0658 -0.1036 0.1180 499 LYS B NZ 4650 N N . GLY B 277 ? 0.5984 0.5450 0.5358 -0.0691 -0.0894 0.1366 500 GLY B N 4651 C CA . GLY B 277 ? 0.7086 0.6641 0.6488 -0.0738 -0.0944 0.1464 500 GLY B CA 4652 C C . GLY B 277 ? 0.7883 0.7341 0.7272 -0.0690 -0.0960 0.1358 500 GLY B C 4653 O O . GLY B 277 ? 0.8026 0.7290 0.7419 -0.0678 -0.1068 0.1294 500 GLY B O 4654 N N . SER B 278 ? 0.8200 0.7793 0.7573 -0.0657 -0.0854 0.1335 501 SER B N 4655 C CA . SER B 278 ? 0.8865 0.8385 0.8228 -0.0614 -0.0859 0.1245 501 SER B CA 4656 C C . SER B 278 ? 0.8437 0.7926 0.7758 -0.0517 -0.0736 0.1085 501 SER B C 4657 O O . SER B 278 ? 0.7767 0.7388 0.7067 -0.0482 -0.0610 0.1066 501 SER B O 4658 C CB . SER B 278 ? 0.9574 0.9257 0.8949 -0.0648 -0.0845 0.1337 501 SER B CB 4659 O OG . SER B 278 ? 1.0408 1.0310 0.9770 -0.0651 -0.0740 0.1407 501 SER B OG 4660 N N . GLY B 279 ? 0.5239 0.6283 0.6219 -0.0095 0.0146 0.1195 502 GLY B N 4661 C CA . GLY B 279 ? 0.3664 0.4614 0.4574 -0.0046 0.0174 0.1100 502 GLY B CA 4662 C C . GLY B 279 ? 0.4144 0.4904 0.5051 -0.0006 0.0202 0.0991 502 GLY B C 4663 O O . GLY B 279 ? 0.3590 0.4289 0.4548 -0.0013 0.0200 0.0981 502 GLY B O 4664 N N . PHE B 280 ? 0.2722 0.3402 0.3570 0.0032 0.0225 0.0913 503 PHE B N 4665 C CA . PHE B 280 ? 0.2492 0.3021 0.3328 0.0067 0.0252 0.0811 503 PHE B CA 4666 C C . PHE B 280 ? 0.3382 0.3909 0.4062 0.0100 0.0281 0.0718 503 PHE B C 4667 O O . PHE B 280 ? 0.3069 0.3696 0.3662 0.0102 0.0279 0.0721 503 PHE B O 4668 C CB . PHE B 280 ? 0.2998 0.3431 0.3926 0.0080 0.0249 0.0805 503 PHE B CB 4669 C CG . PHE B 280 ? 0.3965 0.4378 0.5072 0.0054 0.0212 0.0888 503 PHE B CG 4670 C CD1 . PHE B 280 ? 0.3915 0.4223 0.5135 0.0060 0.0207 0.0853 503 PHE B CD1 4671 C CD2 . PHE B 280 ? 0.3037 0.3541 0.4212 0.0023 0.0177 0.0999 503 PHE B CD2 4672 C CE1 . PHE B 280 ? 0.4103 0.4381 0.5511 0.0039 0.0163 0.0924 503 PHE B CE1 4673 C CE2 . PHE B 280 ? 0.3594 0.4073 0.4954 -0.0003 0.0132 0.1084 503 PHE B CE2 4674 C CZ . PHE B 280 ? 0.3589 0.3947 0.5071 0.0007 0.0123 0.1045 503 PHE B CZ 4675 N N . PHE B 281 ? 0.2514 0.2933 0.3168 0.0123 0.0305 0.0634 504 PHE B N 4676 C CA . PHE B 281 ? 0.3584 0.3980 0.4111 0.0152 0.0324 0.0551 504 PHE B CA 4677 C C . PHE B 281 ? 0.3099 0.3379 0.3638 0.0170 0.0342 0.0488 504 PHE B C 4678 O O . PHE B 281 ? 0.3280 0.3499 0.3913 0.0166 0.0347 0.0483 504 PHE B O 4679 C CB . PHE B 281 ? 0.3230 0.3661 0.3682 0.0156 0.0331 0.0516 504 PHE B CB 4680 C CG . PHE B 281 ? 0.3295 0.3646 0.3782 0.0155 0.0345 0.0481 504 PHE B CG 4681 C CD1 . PHE B 281 ? 0.3567 0.3835 0.4005 0.0175 0.0364 0.0403 504 PHE B CD1 4682 C CD2 . PHE B 281 ? 0.4283 0.4650 0.4857 0.0129 0.0335 0.0530 504 PHE B CD2 4683 C CE1 . PHE B 281 ? 0.3181 0.3393 0.3650 0.0172 0.0377 0.0367 504 PHE B CE1 4684 C CE2 . PHE B 281 ? 0.3832 0.4130 0.4444 0.0128 0.0345 0.0491 504 PHE B CE2 4685 C CZ . PHE B 281 ? 0.3588 0.3811 0.4143 0.0150 0.0368 0.0405 504 PHE B CZ 4686 N N . VAL B 282 ? 0.2672 0.2933 0.3120 0.0189 0.0349 0.0438 505 VAL B N 4687 C CA . VAL B 282 ? 0.2389 0.2569 0.2827 0.0201 0.0365 0.0381 505 VAL B CA 4688 C C . VAL B 282 ? 0.2808 0.2977 0.3134 0.0214 0.0366 0.0328 505 VAL B C 4689 O O . VAL B 282 ? 0.2839 0.3056 0.3102 0.0221 0.0349 0.0329 505 VAL B O 4690 C CB . VAL B 282 ? 0.3462 0.3630 0.3928 0.0203 0.0360 0.0398 505 VAL B CB 4691 C CG1 . VAL B 282 ? 0.4354 0.4472 0.4776 0.0211 0.0372 0.0343 505 VAL B CG1 4692 C CG2 . VAL B 282 ? 0.2865 0.3024 0.3465 0.0195 0.0358 0.0439 505 VAL B CG2 4693 N N . PHE B 283 ? 0.2590 0.2704 0.2900 0.0216 0.0380 0.0280 506 PHE B N 4694 C CA . PHE B 283 ? 0.3096 0.3192 0.3318 0.0223 0.0373 0.0239 506 PHE B CA 4695 C C . PHE B 283 ? 0.2700 0.2761 0.2918 0.0219 0.0375 0.0225 506 PHE B C 4696 O O . PHE B 283 ? 0.2935 0.2985 0.3211 0.0212 0.0394 0.0218 506 PHE B O 4697 C CB . PHE B 283 ? 0.3081 0.3161 0.3285 0.0221 0.0386 0.0204 506 PHE B CB 4698 C CG . PHE B 283 ? 0.3285 0.3405 0.3459 0.0227 0.0379 0.0207 506 PHE B CG 4699 C CD1 . PHE B 283 ? 0.3523 0.3665 0.3625 0.0243 0.0357 0.0189 506 PHE B CD1 4700 C CD2 . PHE B 283 ? 0.2978 0.3118 0.3203 0.0216 0.0390 0.0225 506 PHE B CD2 4701 C CE1 . PHE B 283 ? 0.3488 0.3687 0.3566 0.0251 0.0351 0.0184 506 PHE B CE1 4702 C CE2 . PHE B 283 ? 0.2917 0.3111 0.3114 0.0218 0.0384 0.0231 506 PHE B CE2 4703 C CZ . PHE B 283 ? 0.2868 0.3098 0.2988 0.0237 0.0367 0.0208 506 PHE B CZ 4704 N N . SER B 284 ? 0.2762 0.2813 0.2919 0.0223 0.0350 0.0217 507 SER B N 4705 C CA . SER B 284 ? 0.2677 0.2704 0.2825 0.0211 0.0346 0.0212 507 SER B CA 4706 C C . SER B 284 ? 0.2554 0.2557 0.2642 0.0207 0.0323 0.0190 507 SER B C 4707 O O . SER B 284 ? 0.3072 0.3069 0.3121 0.0222 0.0295 0.0179 507 SER B O 4708 C CB . SER B 284 ? 0.3256 0.3289 0.3412 0.0212 0.0327 0.0238 507 SER B CB 4709 O OG . SER B 284 ? 0.3523 0.3541 0.3672 0.0196 0.0319 0.0240 507 SER B OG 4710 N N . ARG B 285 ? 0.2570 0.2571 0.2657 0.0186 0.0331 0.0185 508 ARG B N 4711 C CA . ARG B 285 ? 0.2374 0.2359 0.2416 0.0173 0.0303 0.0180 508 ARG B CA 4712 C C . ARG B 285 ? 0.2646 0.2633 0.2687 0.0148 0.0281 0.0206 508 ARG B C 4713 O O . ARG B 285 ? 0.2854 0.2878 0.2925 0.0132 0.0307 0.0213 508 ARG B O 4714 C CB . ARG B 285 ? 0.3278 0.3285 0.3315 0.0160 0.0330 0.0158 508 ARG B CB 4715 C CG . ARG B 285 ? 0.3419 0.3420 0.3415 0.0142 0.0299 0.0162 508 ARG B CG 4716 C CD . ARG B 285 ? 0.3665 0.3703 0.3656 0.0127 0.0327 0.0140 508 ARG B CD 4717 N NE . ARG B 285 ? 0.3705 0.3746 0.3660 0.0105 0.0294 0.0155 508 ARG B NE 4718 C CZ . ARG B 285 ? 0.4125 0.4209 0.4076 0.0066 0.0281 0.0184 508 ARG B CZ 4719 N NH1 . ARG B 285 ? 0.3614 0.3747 0.3587 0.0050 0.0303 0.0191 508 ARG B NH1 4720 N NH2 . ARG B 285 ? 0.4231 0.4319 0.4158 0.0043 0.0243 0.0209 508 ARG B NH2 4721 N N . LEU B 286 ? 0.2590 0.2540 0.2606 0.0145 0.0228 0.0219 509 LEU B N 4722 C CA . LEU B 286 ? 0.2778 0.2727 0.2799 0.0116 0.0195 0.0254 509 LEU B CA 4723 C C . LEU B 286 ? 0.2619 0.2543 0.2623 0.0094 0.0143 0.0272 509 LEU B C 4724 O O . LEU B 286 ? 0.2926 0.2798 0.2924 0.0115 0.0098 0.0257 509 LEU B O 4725 C CB . LEU B 286 ? 0.2490 0.2411 0.2523 0.0130 0.0166 0.0263 509 LEU B CB 4726 C CG . LEU B 286 ? 0.3122 0.3031 0.3165 0.0098 0.0119 0.0303 509 LEU B CG 4727 C CD1 . LEU B 286 ? 0.3393 0.3367 0.3455 0.0066 0.0154 0.0332 509 LEU B CD1 4728 C CD2 . LEU B 286 ? 0.2462 0.2333 0.2515 0.0116 0.0076 0.0300 509 LEU B CD2 4729 N N . GLU B 287 ? 0.3064 0.3036 0.3068 0.0051 0.0145 0.0304 510 GLU B N 4730 C CA . GLU B 287 ? 0.3287 0.3242 0.3287 0.0020 0.0085 0.0341 510 GLU B CA 4731 C C . GLU B 287 ? 0.3763 0.3693 0.3788 -0.0005 0.0026 0.0388 510 GLU B C 4732 O O . GLU B 287 ? 0.3407 0.3389 0.3442 -0.0029 0.0046 0.0414 510 GLU B O 4733 C CB . GLU B 287 ? 0.3351 0.3395 0.3339 -0.0025 0.0109 0.0364 510 GLU B CB 4734 C CG . GLU B 287 ? 0.3848 0.3932 0.3819 -0.0006 0.0172 0.0313 510 GLU B CG 4735 C CD . GLU B 287 ? 0.6108 0.6290 0.6064 -0.0051 0.0186 0.0329 510 GLU B CD 4736 O OE1 . GLU B 287 ? 0.6063 0.6268 0.6018 -0.0095 0.0135 0.0388 510 GLU B OE1 4737 O OE2 . GLU B 287 ? 0.5088 0.5330 0.5041 -0.0044 0.0244 0.0284 510 GLU B OE2 4738 N N . VAL B 288 ? 0.3217 0.3067 0.3260 0.0002 -0.0049 0.0396 511 VAL B N 4739 C CA . VAL B 288 ? 0.3293 0.3106 0.3373 -0.0022 -0.0118 0.0439 511 VAL B CA 4740 C C . VAL B 288 ? 0.3959 0.3756 0.4070 -0.0068 -0.0194 0.0501 511 VAL B C 4741 O O . VAL B 288 ? 0.4005 0.3803 0.4108 -0.0069 -0.0201 0.0499 511 VAL B O 4742 C CB . VAL B 288 ? 0.3829 0.3561 0.3929 0.0027 -0.0157 0.0391 511 VAL B CB 4743 C CG1 . VAL B 288 ? 0.3344 0.3105 0.3417 0.0067 -0.0086 0.0343 511 VAL B CG1 4744 C CG2 . VAL B 288 ? 0.3806 0.3471 0.3921 0.0062 -0.0208 0.0350 511 VAL B CG2 4745 N N . THR B 289 ? 0.3506 0.3290 0.3657 -0.0109 -0.0256 0.0562 512 THR B N 4746 C CA . THR B 289 ? 0.3795 0.3575 0.3990 -0.0167 -0.0339 0.0644 512 THR B CA 4747 C C . THR B 289 ? 0.4208 0.3863 0.4474 -0.0153 -0.0448 0.0645 512 THR B C 4748 O O . THR B 289 ? 0.3477 0.3070 0.3758 -0.0112 -0.0461 0.0593 512 THR B O 4749 C CB . THR B 289 ? 0.4304 0.4188 0.4505 -0.0242 -0.0339 0.0734 512 THR B CB 4750 O OG1 . THR B 289 ? 0.4128 0.3979 0.4354 -0.0241 -0.0360 0.0739 512 THR B OG1 4751 C CG2 . THR B 289 ? 0.4731 0.4754 0.4874 -0.0254 -0.0235 0.0721 512 THR B CG2 4752 N N . ARG B 290 ? 0.4197 0.3821 0.4518 -0.0190 -0.0532 0.0704 513 ARG B N 4753 C CA . ARG B 290 ? 0.3763 0.3264 0.4178 -0.0182 -0.0652 0.0710 513 ARG B CA 4754 C C . ARG B 290 ? 0.4258 0.3733 0.4714 -0.0207 -0.0697 0.0742 513 ARG B C 4755 O O . ARG B 290 ? 0.3771 0.3148 0.4279 -0.0164 -0.0755 0.0684 513 ARG B O 4756 C CB . ARG B 290 ? 0.3614 0.3101 0.4096 -0.0235 -0.0743 0.0798 513 ARG B CB 4757 C CG . ARG B 290 ? 0.3945 0.3300 0.4552 -0.0235 -0.0883 0.0816 513 ARG B CG 4758 C CD . ARG B 290 ? 0.4408 0.3747 0.5096 -0.0289 -0.0980 0.0912 513 ARG B CD 4759 N NE . ARG B 290 ? 0.5869 0.5202 0.6534 -0.0246 -0.0954 0.0859 513 ARG B NE 4760 C CZ . ARG B 290 ? 0.6742 0.5967 0.7462 -0.0170 -0.1001 0.0764 513 ARG B CZ 4761 N NH1 . ARG B 290 ? 0.6404 0.5519 0.7207 -0.0128 -0.1078 0.0704 513 ARG B NH1 4762 N NH2 . ARG B 290 ? 0.6337 0.5575 0.7031 -0.0136 -0.0971 0.0723 513 ARG B NH2 4763 N N . ALA B 291 ? 0.3975 0.3552 0.4409 -0.0275 -0.0670 0.0828 514 ALA B N 4764 C CA . ALA B 291 ? 0.4080 0.3649 0.4551 -0.0306 -0.0708 0.0868 514 ALA B CA 4765 C C . ALA B 291 ? 0.3761 0.3289 0.4202 -0.0237 -0.0661 0.0767 514 ALA B C 4766 O O . ALA B 291 ? 0.4076 0.3533 0.4569 -0.0230 -0.0724 0.0756 514 ALA B O 4767 C CB . ALA B 291 ? 0.5021 0.4739 0.5458 -0.0382 -0.0663 0.0962 514 ALA B CB 4768 N N . GLU B 292 ? 0.3555 0.3134 0.3917 -0.0189 -0.0554 0.0696 515 GLU B N 4769 C CA . GLU B 292 ? 0.4017 0.3579 0.4347 -0.0129 -0.0504 0.0611 515 GLU B CA 4770 C C . GLU B 292 ? 0.3603 0.3060 0.3971 -0.0065 -0.0563 0.0523 515 GLU B C 4771 O O . GLU B 292 ? 0.3912 0.3331 0.4308 -0.0043 -0.0596 0.0487 515 GLU B O 4772 C CB . GLU B 292 ? 0.3538 0.3184 0.3789 -0.0100 -0.0384 0.0570 515 GLU B CB 4773 C CG . GLU B 292 ? 0.4487 0.4247 0.4712 -0.0148 -0.0322 0.0628 515 GLU B CG 4774 C CD . GLU B 292 ? 0.4917 0.4755 0.5085 -0.0122 -0.0214 0.0586 515 GLU B CD 4775 O OE1 . GLU B 292 ? 0.5280 0.5196 0.5436 -0.0133 -0.0156 0.0595 515 GLU B OE1 4776 O OE2 . GLU B 292 ? 0.4352 0.4174 0.4497 -0.0091 -0.0190 0.0542 515 GLU B OE2 4777 N N . TRP B 293 ? 0.3708 0.3131 0.4083 -0.0033 -0.0577 0.0484 516 TRP B N 4778 C CA . TRP B 293 ? 0.3652 0.2998 0.4066 0.0033 -0.0630 0.0386 516 TRP B CA 4779 C C . TRP B 293 ? 0.3763 0.3008 0.4289 0.0022 -0.0763 0.0395 516 TRP B C 4780 O O . TRP B 293 ? 0.4056 0.3248 0.4625 0.0075 -0.0811 0.0305 516 TRP B O 4781 C CB . TRP B 293 ? 0.4204 0.3555 0.4593 0.0079 -0.0600 0.0327 516 TRP B CB 4782 C CG . TRP B 293 ? 0.4121 0.3427 0.4563 0.0057 -0.0667 0.0369 516 TRP B CG 4783 C CD1 . TRP B 293 ? 0.4872 0.4081 0.5419 0.0062 -0.0788 0.0365 516 TRP B CD1 4784 C CD2 . TRP B 293 ? 0.3881 0.3240 0.4280 0.0029 -0.0620 0.0416 516 TRP B CD2 4785 N NE1 . TRP B 293 ? 0.4355 0.3555 0.4930 0.0035 -0.0820 0.0418 516 TRP B NE1 4786 C CE2 . TRP B 293 ? 0.4081 0.3377 0.4560 0.0013 -0.0716 0.0450 516 TRP B CE2 4787 C CE3 . TRP B 293 ? 0.4308 0.3764 0.4619 0.0015 -0.0511 0.0432 516 TRP B CE3 4788 C CZ2 . TRP B 293 ? 0.4723 0.4060 0.5185 -0.0019 -0.0702 0.0504 516 TRP B CZ2 4789 C CZ3 . TRP B 293 ? 0.3996 0.3491 0.4290 -0.0014 -0.0497 0.0475 516 TRP B CZ3 4790 C CH2 . TRP B 293 ? 0.4390 0.3830 0.4753 -0.0032 -0.0590 0.0513 516 TRP B CH2 4791 N N . GLU B 294 ? 0.4202 0.3428 0.4780 -0.0050 -0.0827 0.0504 517 GLU B N 4792 C CA . GLU B 294 ? 0.4298 0.3422 0.4997 -0.0071 -0.0963 0.0530 517 GLU B CA 4793 C C . GLU B 294 ? 0.4431 0.3554 0.5141 -0.0085 -0.0975 0.0533 517 GLU B C 4794 O O . GLU B 294 ? 0.5004 0.4040 0.5805 -0.0070 -0.1073 0.0494 517 GLU B O 4795 C CB . GLU B 294 ? 0.4648 0.3763 0.5410 -0.0152 -0.1036 0.0661 517 GLU B CB 4796 C CG . GLU B 294 ? 0.5380 0.4482 0.6150 -0.0133 -0.1044 0.0651 517 GLU B CG 4797 C CD . GLU B 294 ? 0.6107 0.5187 0.6966 -0.0209 -0.1143 0.0779 517 GLU B CD 4798 O OE1 . GLU B 294 ? 0.5743 0.4860 0.6628 -0.0291 -0.1179 0.0897 517 GLU B OE1 4799 O OE2 . GLU B 294 ? 0.5225 0.4262 0.6129 -0.0188 -0.1186 0.0765 517 GLU B OE2 4800 N N . GLN B 295 ? 0.4525 0.3747 0.5147 -0.0112 -0.0877 0.0572 518 GLN B N 4801 C CA . GLN B 295 ? 0.4452 0.3692 0.5068 -0.0119 -0.0868 0.0568 518 GLN B CA 4802 C C . GLN B 295 ? 0.5014 0.4236 0.5610 -0.0037 -0.0846 0.0437 518 GLN B C 4803 O O . GLN B 295 ? 0.4642 0.3816 0.5293 -0.0025 -0.0911 0.0397 518 GLN B O 4804 C CB . GLN B 295 ? 0.5483 0.4845 0.6013 -0.0158 -0.0761 0.0633 518 GLN B CB 4805 C CG . GLN B 295 ? 0.7301 0.6693 0.7833 -0.0182 -0.0757 0.0659 518 GLN B CG 4806 C CD . GLN B 295 ? 0.9543 0.9063 1.0007 -0.0220 -0.0657 0.0720 518 GLN B CD 4807 O OE1 . GLN B 295 ? 0.9872 0.9458 1.0274 -0.0205 -0.0570 0.0705 518 GLN B OE1 4808 N NE2 . GLN B 295 ? 1.0224 0.9785 1.0708 -0.0268 -0.0671 0.0783 518 GLN B NE2 4809 N N . LYS B 296 ? 0.3952 0.3226 0.4473 0.0015 -0.0757 0.0371 519 LYS B N 4810 C CA . LYS B 296 ? 0.3657 0.2947 0.4155 0.0088 -0.0732 0.0252 519 LYS B CA 4811 C C . LYS B 296 ? 0.3286 0.2621 0.3723 0.0131 -0.0659 0.0204 519 LYS B C 4812 O O . LYS B 296 ? 0.3442 0.2845 0.3807 0.0115 -0.0566 0.0246 519 LYS B O 4813 C CB . LYS B 296 ? 0.3871 0.3232 0.4316 0.0086 -0.0667 0.0253 519 LYS B CB 4814 C CG . LYS B 296 ? 0.5268 0.4680 0.5680 0.0153 -0.0633 0.0145 519 LYS B CG 4815 C CD . LYS B 296 ? 0.6543 0.5910 0.7025 0.0178 -0.0728 0.0070 519 LYS B CD 4816 C CE . LYS B 296 ? 0.6845 0.6298 0.7291 0.0240 -0.0693 -0.0039 519 LYS B CE 4817 N NZ . LYS B 296 ? 0.6713 0.6256 0.7099 0.0226 -0.0620 -0.0007 519 LYS B NZ 4818 N N . ASP B 297 ? 0.3791 0.3090 0.4265 0.0187 -0.0705 0.0113 520 ASP B N 4819 C CA . ASP B 297 ? 0.3556 0.2899 0.3980 0.0225 -0.0645 0.0070 520 ASP B CA 4820 C C . ASP B 297 ? 0.3615 0.3054 0.3972 0.0272 -0.0566 -0.0002 520 ASP B C 4821 O O . ASP B 297 ? 0.4113 0.3578 0.4480 0.0331 -0.0583 -0.0102 520 ASP B O 4822 C CB . ASP B 297 ? 0.4246 0.3522 0.4745 0.0264 -0.0729 0.0008 520 ASP B CB 4823 C CG . ASP B 297 ? 0.4716 0.4039 0.5166 0.0294 -0.0668 -0.0020 520 ASP B CG 4824 O OD1 . ASP B 297 ? 0.4222 0.3608 0.4589 0.0270 -0.0572 0.0031 520 ASP B OD1 4825 O OD2 . ASP B 297 ? 0.4909 0.4207 0.5409 0.0343 -0.0719 -0.0097 520 ASP B OD2 4826 N N . GLU B 298 ? 0.3185 0.2687 0.3478 0.0246 -0.0484 0.0051 521 GLU B N 4827 C CA . GLU B 298 ? 0.3349 0.2950 0.3585 0.0278 -0.0410 0.0008 521 GLU B CA 4828 C C . GLU B 298 ? 0.3563 0.3215 0.3744 0.0243 -0.0318 0.0085 521 GLU B C 4829 O O . GLU B 298 ? 0.3221 0.2867 0.3409 0.0202 -0.0313 0.0147 521 GLU B O 4830 C CB . GLU B 298 ? 0.3687 0.3311 0.3944 0.0296 -0.0447 -0.0041 521 GLU B CB 4831 C CG . GLU B 298 ? 0.3315 0.3058 0.3515 0.0317 -0.0373 -0.0064 521 GLU B CG 4832 C CD . GLU B 298 ? 0.5384 0.5163 0.5600 0.0320 -0.0403 -0.0090 521 GLU B CD 4833 O OE1 . GLU B 298 ? 0.3911 0.3657 0.4138 0.0278 -0.0408 -0.0024 521 GLU B OE1 4834 O OE2 . GLU B 298 ? 0.5052 0.4904 0.5269 0.0363 -0.0421 -0.0180 521 GLU B OE2 4835 N N . PHE B 299 ? 0.2869 0.2574 0.3006 0.0258 -0.0248 0.0078 522 PHE B N 4836 C CA . PHE B 299 ? 0.2473 0.2223 0.2575 0.0232 -0.0166 0.0137 522 PHE B CA 4837 C C . PHE B 299 ? 0.3262 0.3099 0.3334 0.0261 -0.0110 0.0109 522 PHE B C 4838 O O . PHE B 299 ? 0.2918 0.2790 0.2975 0.0295 -0.0103 0.0059 522 PHE B O 4839 C CB . PHE B 299 ? 0.2795 0.2527 0.2884 0.0214 -0.0140 0.0166 522 PHE B CB 4840 C CG . PHE B 299 ? 0.3204 0.2870 0.3326 0.0177 -0.0200 0.0207 522 PHE B CG 4841 C CD1 . PHE B 299 ? 0.2990 0.2594 0.3148 0.0192 -0.0277 0.0176 522 PHE B CD1 4842 C CD2 . PHE B 299 ? 0.3745 0.3423 0.3870 0.0125 -0.0185 0.0280 522 PHE B CD2 4843 C CE1 . PHE B 299 ? 0.3762 0.3308 0.3964 0.0151 -0.0343 0.0230 522 PHE B CE1 4844 C CE2 . PHE B 299 ? 0.3169 0.2808 0.3328 0.0081 -0.0245 0.0333 522 PHE B CE2 4845 C CZ . PHE B 299 ? 0.3745 0.3313 0.3943 0.0091 -0.0326 0.0314 522 PHE B CZ 4846 N N . ILE B 300 ? 0.2794 0.2672 0.2863 0.0246 -0.0073 0.0147 523 ILE B N 4847 C CA . ILE B 300 ? 0.2450 0.2418 0.2503 0.0266 -0.0034 0.0134 523 ILE B CA 4848 C C . ILE B 300 ? 0.2799 0.2802 0.2850 0.0252 0.0038 0.0183 523 ILE B C 4849 O O . ILE B 300 ? 0.2909 0.2894 0.2978 0.0224 0.0062 0.0232 523 ILE B O 4850 C CB . ILE B 300 ? 0.3042 0.3045 0.3108 0.0263 -0.0056 0.0137 523 ILE B CB 4851 C CG1 . ILE B 300 ? 0.3295 0.3266 0.3376 0.0282 -0.0135 0.0074 523 ILE B CG1 4852 C CG2 . ILE B 300 ? 0.2951 0.3066 0.3005 0.0275 -0.0016 0.0142 523 ILE B CG2 4853 C CD1 . ILE B 300 ? 0.3773 0.3748 0.3875 0.0268 -0.0171 0.0082 523 ILE B CD1 4854 N N . CYS B 301 ? 0.2552 0.2610 0.2588 0.0271 0.0070 0.0167 524 CYS B N 4855 C CA . CYS B 301 ? 0.2271 0.2363 0.2321 0.0259 0.0128 0.0210 524 CYS B CA 4856 C C . CYS B 301 ? 0.2823 0.3001 0.2887 0.0261 0.0138 0.0234 524 CYS B C 4857 O O . CYS B 301 ? 0.2617 0.2873 0.2661 0.0279 0.0124 0.0206 524 CYS B O 4858 C CB . CYS B 301 ? 0.2348 0.2456 0.2383 0.0272 0.0152 0.0191 524 CYS B CB 4859 S SG . CYS B 301 ? 0.3268 0.3415 0.3338 0.0259 0.0211 0.0238 524 CYS B SG 4860 N N . ARG B 302 ? 0.2359 0.2537 0.2460 0.0241 0.0160 0.0286 525 ARG B N 4861 C CA . ARG B 302 ? 0.2284 0.2546 0.2406 0.0238 0.0164 0.0321 525 ARG B CA 4862 C C . ARG B 302 ? 0.2638 0.2922 0.2816 0.0225 0.0205 0.0377 525 ARG B C 4863 O O . ARG B 302 ? 0.2749 0.2975 0.2964 0.0216 0.0228 0.0391 525 ARG B O 4864 C CB . ARG B 302 ? 0.3222 0.3474 0.3355 0.0227 0.0139 0.0335 525 ARG B CB 4865 C CG . ARG B 302 ? 0.2766 0.3112 0.2922 0.0220 0.0140 0.0376 525 ARG B CG 4866 C CD . ARG B 302 ? 0.3042 0.3372 0.3206 0.0208 0.0113 0.0386 525 ARG B CD 4867 N NE . ARG B 302 ? 0.3035 0.3313 0.3246 0.0191 0.0136 0.0430 525 ARG B NE 4868 C CZ . ARG B 302 ? 0.3654 0.3919 0.3882 0.0176 0.0120 0.0451 525 ARG B CZ 4869 N NH1 . ARG B 302 ? 0.3773 0.4061 0.3976 0.0175 0.0078 0.0431 525 ARG B NH1 4870 N NH2 . ARG B 302 ? 0.3810 0.4048 0.4085 0.0162 0.0145 0.0485 525 ARG B NH2 4871 N N . ALA B 303 ? 0.2533 0.2911 0.2725 0.0224 0.0209 0.0407 526 ALA B N 4872 C CA . ALA B 303 ? 0.2841 0.3243 0.3105 0.0210 0.0234 0.0470 526 ALA B CA 4873 C C . ALA B 303 ? 0.3545 0.4019 0.3849 0.0196 0.0223 0.0527 526 ALA B C 4874 O O . ALA B 303 ? 0.2700 0.3264 0.2965 0.0196 0.0200 0.0524 526 ALA B O 4875 C CB . ALA B 303 ? 0.2618 0.3080 0.2880 0.0210 0.0243 0.0479 526 ALA B CB 4876 N N . VAL B 304 ? 0.2494 0.2935 0.2881 0.0185 0.0236 0.0575 527 VAL B N 4877 C CA . VAL B 304 ? 0.2952 0.3460 0.3398 0.0170 0.0224 0.0644 527 VAL B CA 4878 C C . VAL B 304 ? 0.2254 0.2800 0.2791 0.0155 0.0230 0.0712 527 VAL B C 4879 O O . VAL B 304 ? 0.2553 0.3027 0.3156 0.0160 0.0246 0.0710 527 VAL B O 4880 C CB . VAL B 304 ? 0.2868 0.3316 0.3361 0.0169 0.0228 0.0651 527 VAL B CB 4881 C CG1 . VAL B 304 ? 0.2723 0.3246 0.3274 0.0153 0.0211 0.0723 527 VAL B CG1 4882 C CG2 . VAL B 304 ? 0.3606 0.4003 0.4021 0.0176 0.0218 0.0591 527 VAL B CG2 4883 N N . HIS B 305 ? 0.2441 0.3110 0.2988 0.0136 0.0211 0.0774 528 HIS B N 4884 C CA . HIS B 305 ? 0.2383 0.3104 0.3017 0.0114 0.0205 0.0852 528 HIS B CA 4885 C C . HIS B 305 ? 0.2441 0.3307 0.3102 0.0085 0.0178 0.0940 528 HIS B C 4886 O O . HIS B 305 ? 0.2987 0.3954 0.3562 0.0084 0.0168 0.0920 528 HIS B O 4887 C CB . HIS B 305 ? 0.2395 0.3149 0.2979 0.0115 0.0213 0.0827 528 HIS B CB 4888 C CG . HIS B 305 ? 0.2687 0.3479 0.3369 0.0089 0.0203 0.0909 528 HIS B CG 4889 N ND1 . HIS B 305 ? 0.2532 0.3478 0.3245 0.0053 0.0178 0.1003 528 HIS B ND1 4890 C CD2 . HIS B 305 ? 0.2148 0.2851 0.2912 0.0089 0.0211 0.0914 528 HIS B CD2 4891 C CE1 . HIS B 305 ? 0.2328 0.3270 0.3144 0.0030 0.0167 0.1072 528 HIS B CE1 4892 N NE2 . HIS B 305 ? 0.2363 0.3153 0.3214 0.0054 0.0186 0.1014 528 HIS B NE2 4893 N N . GLU B 306 ? 0.2399 0.3282 0.3188 0.0062 0.0162 0.1035 529 GLU B N 4894 C CA . GLU B 306 ? 0.2255 0.3278 0.3085 0.0028 0.0132 0.1134 529 GLU B CA 4895 C C . GLU B 306 ? 0.3088 0.4299 0.3838 0.0004 0.0120 0.1160 529 GLU B C 4896 O O . GLU B 306 ? 0.2893 0.4249 0.3626 -0.0019 0.0100 0.1207 529 GLU B O 4897 C CB . GLU B 306 ? 0.3407 0.4411 0.4409 0.0005 0.0107 0.1241 529 GLU B CB 4898 C CG . GLU B 306 ? 0.4254 0.5292 0.5318 -0.0021 0.0094 0.1300 529 GLU B CG 4899 C CD . GLU B 306 ? 0.4699 0.5746 0.5949 -0.0053 0.0052 0.1427 529 GLU B CD 4900 O OE1 . GLU B 306 ? 0.4568 0.5470 0.5939 -0.0033 0.0049 0.1411 529 GLU B OE1 4901 O OE2 . GLU B 306 ? 0.5117 0.6323 0.6398 -0.0099 0.0018 0.1541 529 GLU B OE2 4902 N N . ALA B 307 ? 0.2179 0.3405 0.2884 0.0007 0.0132 0.1126 530 ALA B N 4903 C CA . ALA B 307 ? 0.3162 0.4591 0.3804 -0.0017 0.0122 0.1151 530 ALA B CA 4904 C C . ALA B 307 ? 0.3906 0.5389 0.4402 0.0014 0.0134 0.1031 530 ALA B C 4905 O O . ALA B 307 ? 0.3742 0.5412 0.4177 0.0002 0.0127 0.1028 530 ALA B O 4906 C CB . ALA B 307 ? 0.3003 0.4451 0.3693 -0.0038 0.0121 0.1198 530 ALA B CB 4907 N N . ALA B 308 ? 0.3079 0.4407 0.3527 0.0055 0.0149 0.0932 531 ALA B N 4908 C CA . ALA B 308 ? 0.3056 0.4419 0.3388 0.0086 0.0149 0.0819 531 ALA B CA 4909 C C . ALA B 308 ? 0.3270 0.4768 0.3575 0.0075 0.0126 0.0827 531 ALA B C 4910 O O . ALA B 308 ? 0.3724 0.5188 0.4084 0.0060 0.0118 0.0884 531 ALA B O 4911 C CB . ALA B 308 ? 0.3145 0.4303 0.3447 0.0124 0.0163 0.0726 531 ALA B CB 4912 N N . SER B 309 ? 0.3992 0.5655 0.4218 0.0083 0.0115 0.0768 532 SER B N 4913 C CA . SER B 309 ? 0.4390 0.6199 0.4585 0.0074 0.0092 0.0759 532 SER B CA 4914 C C . SER B 309 ? 0.4643 0.6433 0.4755 0.0119 0.0079 0.0612 532 SER B C 4915 O O . SER B 309 ? 0.5009 0.6773 0.5079 0.0149 0.0084 0.0528 532 SER B O 4916 C CB . SER B 309 ? 0.4759 0.6844 0.4955 0.0034 0.0080 0.0833 532 SER B CB 4917 O OG . SER B 309 ? 0.5142 0.7329 0.5299 0.0040 0.0090 0.0797 532 SER B OG 4918 N N . PRO B 310 ? 0.5830 0.7640 0.5925 0.0122 0.0056 0.0579 533 PRO B N 4919 C CA . PRO B 310 ? 0.6313 0.8214 0.6445 0.0087 0.0043 0.0666 533 PRO B CA 4920 C C . PRO B 310 ? 0.5821 0.7538 0.6027 0.0075 0.0052 0.0743 533 PRO B C 4921 O O . PRO B 310 ? 0.6015 0.7803 0.6278 0.0040 0.0045 0.0847 533 PRO B O 4922 C CB . PRO B 310 ? 0.6897 0.8860 0.6972 0.0108 0.0013 0.0561 533 PRO B CB 4923 C CG . PRO B 310 ? 0.7001 0.8905 0.7022 0.0156 0.0006 0.0420 533 PRO B CG 4924 C CD . PRO B 310 ? 0.6539 0.8273 0.6581 0.0165 0.0034 0.0442 533 PRO B CD 4925 N N . SER B 311 ? 0.3996 0.5495 0.4204 0.0103 0.0064 0.0692 534 SER B N 4926 C CA . SER B 311 ? 0.4253 0.5596 0.4518 0.0098 0.0069 0.0732 534 SER B CA 4927 C C . SER B 311 ? 0.3038 0.4210 0.3353 0.0107 0.0097 0.0751 534 SER B C 4928 O O . SER B 311 ? 0.3023 0.4045 0.3354 0.0119 0.0104 0.0728 534 SER B O 4929 C CB . SER B 311 ? 0.5890 0.7154 0.6111 0.0118 0.0047 0.0648 534 SER B CB 4930 O OG . SER B 311 ? 0.7332 0.8754 0.7520 0.0109 0.0018 0.0630 534 SER B OG 4931 N N . GLN B 312 ? 0.3263 0.4474 0.3607 0.0097 0.0112 0.0795 535 GLN B N 4932 C CA . GLN B 312 ? 0.2797 0.3873 0.3206 0.0101 0.0136 0.0820 535 GLN B CA 4933 C C . GLN B 312 ? 0.2854 0.3785 0.3211 0.0132 0.0151 0.0724 535 GLN B C 4934 O O . GLN B 312 ? 0.3003 0.3808 0.3406 0.0139 0.0171 0.0726 535 GLN B O 4935 C CB . GLN B 312 ? 0.2451 0.3456 0.2965 0.0088 0.0137 0.0892 535 GLN B CB 4936 C CG . GLN B 312 ? 0.2423 0.3555 0.3021 0.0053 0.0119 0.1011 535 GLN B CG 4937 C CD . GLN B 312 ? 0.4082 0.5353 0.4641 0.0036 0.0095 0.1030 535 GLN B CD 4938 O OE1 . GLN B 312 ? 0.6221 0.7670 0.6764 0.0010 0.0078 0.1077 535 GLN B OE1 4939 N NE2 . GLN B 312 ? 0.3057 0.4258 0.3600 0.0048 0.0091 0.0993 535 GLN B NE2 4940 N N . THR B 313 ? 0.3096 0.4056 0.3365 0.0152 0.0138 0.0638 536 THR B N 4941 C CA . THR B 313 ? 0.2827 0.3661 0.3049 0.0179 0.0142 0.0552 536 THR B CA 4942 C C . THR B 313 ? 0.3641 0.4544 0.3798 0.0199 0.0134 0.0483 536 THR B C 4943 O O . THR B 313 ? 0.3053 0.4107 0.3177 0.0200 0.0116 0.0465 536 THR B O 4944 C CB . THR B 313 ? 0.3935 0.4689 0.4132 0.0189 0.0120 0.0504 536 THR B CB 4945 O OG1 . THR B 313 ? 0.5004 0.5672 0.5261 0.0175 0.0134 0.0555 536 THR B OG1 4946 C CG2 . THR B 313 ? 0.6290 0.6946 0.6438 0.0213 0.0108 0.0417 536 THR B CG2 4947 N N . VAL B 314 ? 0.3057 0.3862 0.3199 0.0215 0.0149 0.0442 537 VAL B N 4948 C CA . VAL B 314 ? 0.2911 0.3753 0.2996 0.0241 0.0138 0.0363 537 VAL B CA 4949 C C . VAL B 314 ? 0.3247 0.3924 0.3316 0.0260 0.0134 0.0306 537 VAL B C 4950 O O . VAL B 314 ? 0.2954 0.3523 0.3056 0.0249 0.0158 0.0340 537 VAL B O 4951 C CB . VAL B 314 ? 0.3659 0.4593 0.3749 0.0234 0.0160 0.0392 537 VAL B CB 4952 C CG1 . VAL B 314 ? 0.4153 0.4988 0.4303 0.0216 0.0190 0.0458 537 VAL B CG1 4953 C CG2 . VAL B 314 ? 0.3365 0.4316 0.3402 0.0265 0.0151 0.0303 537 VAL B CG2 4954 N N . GLN B 315 ? 0.2971 0.3640 0.3000 0.0287 0.0101 0.0220 538 GLN B N 4955 C CA . GLN B 315 ? 0.3210 0.3730 0.3233 0.0299 0.0087 0.0177 538 GLN B CA 4956 C C . GLN B 315 ? 0.3702 0.4236 0.3694 0.0333 0.0057 0.0087 538 GLN B C 4957 O O . GLN B 315 ? 0.3520 0.4179 0.3494 0.0353 0.0037 0.0037 538 GLN B O 4958 C CB . GLN B 315 ? 0.2903 0.3338 0.2939 0.0289 0.0059 0.0180 538 GLN B CB 4959 C CG . GLN B 315 ? 0.3459 0.3951 0.3483 0.0305 0.0009 0.0120 538 GLN B CG 4960 C CD . GLN B 315 ? 0.3992 0.4409 0.4037 0.0287 -0.0020 0.0137 538 GLN B CD 4961 O OE1 . GLN B 315 ? 0.4082 0.4425 0.4130 0.0297 -0.0071 0.0086 538 GLN B OE1 4962 N NE2 . GLN B 315 ? 0.3284 0.3718 0.3350 0.0261 0.0008 0.0212 538 GLN B NE2 4963 N N . ARG B 316 ? 0.2659 0.3076 0.2650 0.0339 0.0051 0.0066 539 ARG B N 4964 C CA . ARG B 316 ? 0.2355 0.2759 0.2333 0.0373 0.0013 -0.0018 539 ARG B CA 4965 C C . ARG B 316 ? 0.3290 0.3538 0.3286 0.0367 -0.0019 -0.0024 539 ARG B C 4966 O O . ARG B 316 ? 0.2682 0.2851 0.2685 0.0339 0.0008 0.0036 539 ARG B O 4967 C CB . ARG B 316 ? 0.3251 0.3707 0.3212 0.0385 0.0044 -0.0026 539 ARG B CB 4968 C CG . ARG B 316 ? 0.3661 0.4297 0.3608 0.0389 0.0065 -0.0024 539 ARG B CG 4969 C CD . ARG B 316 ? 0.4163 0.4911 0.4098 0.0424 0.0021 -0.0117 539 ARG B CD 4970 N NE . ARG B 316 ? 0.4813 0.5769 0.4730 0.0426 0.0040 -0.0119 539 ARG B NE 4971 C CZ . ARG B 316 ? 0.5292 0.6376 0.5206 0.0403 0.0052 -0.0072 539 ARG B CZ 4972 N NH1 . ARG B 316 ? 0.4328 0.5346 0.4260 0.0379 0.0048 -0.0022 539 ARG B NH1 4973 N NH2 . ARG B 316 ? 0.5075 0.6369 0.4973 0.0399 0.0066 -0.0068 539 ARG B NH2 4974 N N . ALA B 317 ? 0.2736 0.2952 0.2746 0.0394 -0.0082 -0.0097 540 ALA B N 4975 C CA . ALA B 317 ? 0.2880 0.2958 0.2919 0.0384 -0.0129 -0.0096 540 ALA B CA 4976 C C . ALA B 317 ? 0.3496 0.3533 0.3540 0.0406 -0.0148 -0.0136 540 ALA B C 4977 O O . ALA B 317 ? 0.2908 0.3025 0.2943 0.0443 -0.0148 -0.0199 540 ALA B O 4978 C CB . ALA B 317 ? 0.3085 0.3132 0.3159 0.0394 -0.0202 -0.0141 540 ALA B CB 4979 N N . VAL B 318 ? 0.2579 0.2505 0.2641 0.0382 -0.0166 -0.0097 541 VAL B N 4980 C CA . VAL B 318 ? 0.3190 0.3067 0.3267 0.0400 -0.0196 -0.0130 541 VAL B CA 4981 C C . VAL B 318 ? 0.3893 0.3651 0.4023 0.0380 -0.0272 -0.0112 541 VAL B C 4982 O O . VAL B 318 ? 0.2799 0.2511 0.2937 0.0337 -0.0275 -0.0046 541 VAL B O 4983 C CB . VAL B 318 ? 0.2997 0.2890 0.3038 0.0385 -0.0130 -0.0088 541 VAL B CB 4984 C CG1 . VAL B 318 ? 0.2917 0.2761 0.2950 0.0334 -0.0095 -0.0002 541 VAL B CG1 4985 C CG2 . VAL B 318 ? 0.3364 0.3225 0.3421 0.0407 -0.0162 -0.0127 541 VAL B CG2 4986 N N . SER B 319 ? 0.3233 0.2948 0.3410 0.0411 -0.0339 -0.0171 542 SER B N 4987 C CA . SER B 319 ? 0.3244 0.2844 0.3489 0.0391 -0.0425 -0.0147 542 SER B CA 4988 C C . SER B 319 ? 0.4041 0.3605 0.4291 0.0385 -0.0428 -0.0125 542 SER B C 4989 O O . SER B 319 ? 0.3965 0.3588 0.4182 0.0414 -0.0384 -0.0162 542 SER B O 4990 C CB . SER B 319 ? 0.3950 0.3520 0.4271 0.0435 -0.0520 -0.0240 542 SER B CB 4991 O OG . SER B 319 ? 0.4883 0.4493 0.5200 0.0439 -0.0522 -0.0265 542 SER B OG 4992 N N . VAL B 320 ? 0.3938 0.3416 0.4232 0.0342 -0.0480 -0.0057 543 VAL B N 4993 C CA . VAL B 320 ? 0.4356 0.3811 0.4655 0.0330 -0.0484 -0.0027 543 VAL B CA 4994 C C . VAL B 320 ? 0.4039 0.3406 0.4439 0.0345 -0.0599 -0.0049 543 VAL B C 4995 O O . VAL B 320 ? 0.4437 0.3784 0.4855 0.0344 -0.0617 -0.0035 543 VAL B O 4996 C CB . VAL B 320 ? 0.4200 0.3659 0.4462 0.0261 -0.0442 0.0083 543 VAL B CB 4997 C CG1 . VAL B 320 ? 0.5549 0.5092 0.5729 0.0252 -0.0332 0.0095 543 VAL B CG1 4998 C CG2 . VAL B 320 ? 0.3804 0.3206 0.4119 0.0209 -0.0508 0.0154 543 VAL B CG2 4999 N N . ASN B 321 ? 0.3848 0.3159 0.4321 0.0358 -0.0681 -0.0083 544 ASN B N 5000 C CA . ASN B 321 ? 0.4816 0.4024 0.5412 0.0364 -0.0807 -0.0093 544 ASN B CA 5001 C C . ASN B 321 ? 0.6148 0.5348 0.6817 0.0440 -0.0871 -0.0231 544 ASN B C 5002 O O . ASN B 321 ? 0.6072 0.5316 0.6719 0.0461 -0.0853 -0.0287 544 ASN B O 5003 C CB . ASN B 321 ? 0.6035 0.5171 0.6682 0.0295 -0.0869 0.0009 544 ASN B CB 5004 C CG . ASN B 321 ? 0.8474 0.7514 0.9232 0.0264 -0.0981 0.0070 544 ASN B CG 5005 O OD1 . ASN B 321 ? 0.9659 0.8711 1.0402 0.0239 -0.0965 0.0128 544 ASN B OD1 5006 N ND2 . ASN B 321 ? 0.8457 0.7403 0.9336 0.0262 -0.1100 0.0061 544 ASN B ND2 5007 N N . PRO B 322 ? 0.5734 0.4889 0.6493 0.0483 -0.0948 -0.0292 545 PRO B N 5008 C CA . PRO B 322 ? 0.6894 0.6050 0.7741 0.0562 -0.1020 -0.0440 545 PRO B CA 5009 C C . PRO B 322 ? 0.8768 0.7825 0.9726 0.0550 -0.1131 -0.0447 545 PRO B C 5010 O O . PRO B 322 ? 0.6168 0.5107 0.7223 0.0507 -0.1224 -0.0366 545 PRO B O 5011 C CB . PRO B 322 ? 0.5948 0.5064 0.6879 0.0600 -0.1082 -0.0478 545 PRO B CB 5012 C CG . PRO B 322 ? 0.6817 0.5950 0.7664 0.0548 -0.1008 -0.0362 545 PRO B CG 5013 C CD . PRO B 322 ? 0.6357 0.5474 0.7141 0.0464 -0.0968 -0.0232 545 PRO B CD 5014 N N . GLY B 323 ? 1.1046 1.0160 1.1992 0.0584 -0.1122 -0.0536 546 GLY B N 5015 C CA . GLY B 323 ? 1.2767 1.1797 1.3814 0.0575 -0.1224 -0.0555 546 GLY B CA 5016 C C . GLY B 323 ? 1.3923 1.3049 1.4961 0.0636 -0.1215 -0.0699 546 GLY B C 5017 O O . GLY B 323 ? 1.4602 1.3868 1.5563 0.0685 -0.1137 -0.0783 546 GLY B O 5018 C C1 . NAG C . ? 1.6969 1.3362 0.7971 0.0335 -0.0195 0.2598 601 NAG A C1 5019 C C2 . NAG C . ? 1.5577 1.1981 0.6904 0.0376 -0.0115 0.1975 601 NAG A C2 5020 C C3 . NAG C . ? 1.4894 1.1253 0.6726 0.0209 0.0173 0.1981 601 NAG A C3 5021 C C4 . NAG C . ? 1.5051 1.1728 0.6775 0.0121 0.0499 0.2211 601 NAG A C4 5022 C C5 . NAG C . ? 1.6103 1.2752 0.7407 0.0112 0.0421 0.2772 601 NAG A C5 5023 C C6 . NAG C . ? 1.6584 1.3640 0.7665 0.0031 0.0715 0.2906 601 NAG A C6 5024 C C7 . NAG C . ? 1.4909 1.0944 0.6101 0.0578 -0.0639 0.1231 601 NAG A C7 5025 C C8 . NAG C . ? 1.4799 1.0392 0.6108 0.0530 -0.1069 0.0976 601 NAG A C8 5026 N N2 . NAG C . ? 1.4596 1.0633 0.6046 0.0398 -0.0477 0.1723 601 NAG A N2 5027 O O3 . NAG C . ? 1.4437 1.0882 0.6585 0.0257 0.0272 0.1435 601 NAG A O3 5028 O O4 . NAG C . ? 1.4391 1.0868 0.6571 -0.0050 0.0707 0.2232 601 NAG A O4 5029 O O5 . NAG C . ? 1.6510 1.3241 0.7381 0.0278 0.0147 0.2800 601 NAG A O5 5030 O O6 . NAG C . ? 1.6900 1.3700 0.8311 -0.0165 0.0939 0.3022 601 NAG A O6 5031 O O7 . NAG C . ? 1.5374 1.1780 0.6297 0.0783 -0.0462 0.0944 601 NAG A O7 5032 C C1 . NAG D . ? 1.3936 1.0757 0.6405 -0.0095 0.0956 0.1811 602 NAG A C1 5033 C C2 . NAG D . ? 1.4076 1.0773 0.6762 -0.0318 0.1214 0.1980 602 NAG A C2 5034 C C3 . NAG D . ? 1.3983 1.0824 0.7195 -0.0441 0.1423 0.1587 602 NAG A C3 5035 C C4 . NAG D . ? 1.4207 1.1007 0.7789 -0.0332 0.1341 0.1229 602 NAG A C4 5036 C C5 . NAG D . ? 1.4011 1.1033 0.7309 -0.0094 0.1139 0.1041 602 NAG A C5 5037 C C6 . NAG D . ? 1.4224 1.1132 0.7866 0.0014 0.1061 0.0634 602 NAG A C6 5038 C C7 . NAG D . ? 1.4796 1.1429 0.7008 -0.0515 0.1421 0.2577 602 NAG A C7 5039 C C8 . NAG D . ? 1.3849 1.0829 0.5702 -0.0630 0.1563 0.2717 602 NAG A C8 5040 N N2 . NAG D . ? 1.5115 1.2104 0.7437 -0.0392 0.1329 0.2196 602 NAG A N2 5041 O O3 . NAG D . ? 1.3411 0.9848 0.6808 -0.0625 0.1578 0.1762 602 NAG A O3 5042 O O4 . NAG D . ? 1.4650 1.1777 0.8742 -0.0423 0.1543 0.0858 602 NAG A O4 5043 O O5 . NAG D . ? 1.3911 1.0629 0.6755 -0.0035 0.0898 0.1412 602 NAG A O5 5044 O O6 . NAG D . ? 1.4468 1.0832 0.8185 -0.0053 0.0887 0.0840 602 NAG A O6 5045 O O7 . NAG D . ? 1.4353 1.0442 0.6789 -0.0519 0.1398 0.2779 602 NAG A O7 5046 C C1 . BMA E . ? 1.5466 1.2202 0.9978 -0.0561 0.1640 0.0857 603 BMA A C1 5047 C C2 . BMA E . ? 1.6252 1.3294 1.1333 -0.0526 0.1721 0.0411 603 BMA A C2 5048 C C3 . BMA E . ? 1.7079 1.3834 1.2647 -0.0686 0.1855 0.0383 603 BMA A C3 5049 C C4 . BMA E . ? 1.6679 1.3291 1.2224 -0.0923 0.2002 0.0543 603 BMA A C4 5050 C C5 . BMA E . ? 1.6136 1.2385 1.1100 -0.0894 0.1924 0.0950 603 BMA A C5 5051 C C6 . BMA E . ? 1.6157 1.2124 1.1093 -0.1112 0.2094 0.1053 603 BMA A C6 5052 O O2 . BMA E . ? 1.6234 1.3962 1.1549 -0.0564 0.1845 0.0143 603 BMA A O2 5053 O O3 . BMA E . ? 1.8084 1.5247 1.4263 -0.0677 0.1961 -0.0017 603 BMA A O3 5054 O O4 . BMA E . ? 1.6931 1.3167 1.2841 -0.1041 0.2109 0.0541 603 BMA A O4 5055 O O5 . BMA E . ? 1.5922 1.2550 1.0488 -0.0781 0.1816 0.0984 603 BMA A O5 5056 O O6 . BMA E . ? 1.6602 1.3080 1.1618 -0.1304 0.2184 0.0812 603 BMA A O6 5057 C C1 . MAN F . ? 1.7981 1.4204 1.2579 -0.1424 0.2244 0.1033 604 MAN A C1 5058 C C2 . MAN F . ? 1.7634 1.4552 1.2028 -0.1509 0.2226 0.0940 604 MAN A C2 5059 C C3 . MAN F . ? 1.7123 1.4729 1.2137 -0.1711 0.2275 0.0458 604 MAN A C3 5060 C C4 . MAN F . ? 1.7568 1.4700 1.2894 -0.2002 0.2392 0.0298 604 MAN A C4 5061 C C5 . MAN F . ? 1.8038 1.4347 1.3386 -0.1864 0.2432 0.0483 604 MAN A C5 5062 C C6 . MAN F . ? 1.7635 1.3411 1.3235 -0.2108 0.2559 0.0308 604 MAN A C6 5063 O O2 . MAN F . ? 1.7513 1.4125 1.1508 -0.1660 0.2304 0.1141 604 MAN A O2 5064 O O3 . MAN F . ? 1.6735 1.5113 1.1674 -0.1809 0.2252 0.0334 604 MAN A O3 5065 O O4 . MAN F . ? 1.6913 1.4696 1.2973 -0.2194 0.2394 -0.0147 604 MAN A O4 5066 O O5 . MAN F . ? 1.8653 1.4468 1.3467 -0.1651 0.2395 0.0904 604 MAN A O5 5067 O O6 . MAN F . ? 1.7686 1.2984 1.2850 -0.2230 0.2639 0.0409 604 MAN A O6 5068 C C1 . MAN G . ? 1.8656 1.5857 1.4876 -0.0443 0.1848 -0.0240 605 MAN A C1 5069 C C2 . MAN G . ? 1.8129 1.5424 1.5034 -0.0440 0.1965 -0.0531 605 MAN A C2 5070 C C3 . MAN G . ? 1.7404 1.5441 1.4986 -0.0453 0.2139 -0.0893 605 MAN A C3 5071 C C4 . MAN G . ? 1.6569 1.5180 1.4009 -0.0226 0.2092 -0.1134 605 MAN A C4 5072 C C5 . MAN G . ? 1.7071 1.5496 1.3710 -0.0275 0.1972 -0.0779 605 MAN A C5 5073 C C6 . MAN G . ? 1.6655 1.5685 1.3100 -0.0036 0.1924 -0.0984 605 MAN A C6 5074 O O2 . MAN G . ? 1.7725 1.4864 1.4575 -0.0235 0.1841 -0.0728 605 MAN A O2 5075 O O3 . MAN G . ? 1.7297 1.5457 1.5557 -0.0387 0.2237 -0.1174 605 MAN A O3 5076 O O4 . MAN G . ? 1.5546 1.5019 1.3742 -0.0239 0.2231 -0.1468 605 MAN A O4 5077 O O5 . MAN G . ? 1.8361 1.6052 1.4438 -0.0247 0.1803 -0.0477 605 MAN A O5 5078 O O6 . MAN G . ? 1.5987 1.5846 1.2938 -0.0134 0.2050 -0.1172 605 MAN A O6 5079 S S . SO4 H . ? 0.7603 0.7489 0.8622 0.0620 0.1831 -0.2365 606 SO4 A S 5080 O O1 . SO4 H . ? 0.9660 0.9413 1.0589 0.0672 0.1901 -0.2466 606 SO4 A O1 5081 O O2 . SO4 H . ? 0.7417 0.7440 0.8540 0.0628 0.1797 -0.2402 606 SO4 A O2 5082 O O3 . SO4 H . ? 0.6479 0.6280 0.7591 0.0532 0.1689 -0.2362 606 SO4 A O3 5083 O O4 . SO4 H . ? 0.8814 0.8785 0.9730 0.0649 0.1940 -0.2226 606 SO4 A O4 5084 S S . SO4 I . ? 1.5641 1.1225 1.4925 -0.0006 0.1161 -0.3007 607 SO4 A S 5085 O O1 . SO4 I . ? 1.6175 1.1591 1.5561 -0.0027 0.1087 -0.3079 607 SO4 A O1 5086 O O2 . SO4 I . ? 1.5283 1.1000 1.4606 0.0089 0.1272 -0.3041 607 SO4 A O2 5087 O O3 . SO4 I . ? 1.5480 1.1158 1.4886 -0.0096 0.1054 -0.2938 607 SO4 A O3 5088 O O4 . SO4 I . ? 1.6378 1.1905 1.5406 0.0008 0.1227 -0.2968 607 SO4 A O4 5089 S S . SO4 J . ? 1.3681 1.3772 1.4813 0.0185 0.1485 -0.1402 608 SO4 A S 5090 O O1 . SO4 J . ? 1.3422 1.3607 1.4640 0.0220 0.1489 -0.1460 608 SO4 A O1 5091 O O2 . SO4 J . ? 1.3550 1.3774 1.4701 0.0156 0.1487 -0.1227 608 SO4 A O2 5092 O O3 . SO4 J . ? 1.2729 1.2692 1.3972 0.0108 0.1333 -0.1477 608 SO4 A O3 5093 O O4 . SO4 J . ? 1.3760 1.3751 1.4680 0.0256 0.1631 -0.1441 608 SO4 A O4 5094 C C1 . GOL K . ? 1.4047 1.1496 1.0161 0.1258 0.3819 -0.1962 609 GOL A C1 5095 O O1 . GOL K . ? 1.4638 1.2309 1.0895 0.1231 0.3808 -0.1838 609 GOL A O1 5096 C C2 . GOL K . ? 1.2603 1.0029 0.8545 0.1369 0.3995 -0.1990 609 GOL A C2 5097 O O2 . GOL K . ? 1.2005 0.9222 0.7883 0.1404 0.3998 -0.2123 609 GOL A O2 5098 C C3 . GOL K . ? 1.2166 0.9770 0.8230 0.1453 0.4121 -0.1936 609 GOL A C3 5099 O O3 . GOL K . ? 1.1659 0.9372 0.7968 0.1416 0.4043 -0.1903 609 GOL A O3 5100 C C . TRS L . ? 1.0657 0.8747 1.1383 0.0529 0.1614 -0.3084 610 TRS A C 5101 C C1 . TRS L . ? 0.9652 0.7839 1.0545 0.0528 0.1553 -0.3157 610 TRS A C1 5102 C C2 . TRS L . ? 1.2689 1.0825 1.3263 0.0623 0.1775 -0.3066 610 TRS A C2 5103 C C3 . TRS L . ? 0.9694 0.7581 1.0421 0.0493 0.1553 -0.3139 610 TRS A C3 5104 N N . TRS L . ? 1.1193 0.9346 1.1904 0.0471 0.1573 -0.2972 610 TRS A N 5105 O O1 . TRS L . ? 0.8376 0.6631 0.9390 0.0453 0.1439 -0.3115 610 TRS A O1 5106 O O2 . TRS L . ? 1.3615 1.1788 1.4243 0.0683 0.1816 -0.3155 610 TRS A O2 5107 O O3 . TRS L . ? 0.9407 0.7206 0.9989 0.0558 0.1663 -0.3156 610 TRS A O3 5108 C C1 . GOL M . ? 1.0619 1.2721 1.1068 0.0349 0.2612 0.1178 601 GOL B C1 5109 O O1 . GOL M . ? 1.0866 1.3175 1.1503 0.0321 0.2572 0.1359 601 GOL B O1 5110 C C2 . GOL M . ? 1.0565 1.2644 1.0756 0.0432 0.2804 0.1197 601 GOL B C2 5111 O O2 . GOL M . ? 1.0068 1.1951 1.0091 0.0419 0.2789 0.1065 601 GOL B O2 5112 C C3 . GOL M . ? 1.0514 1.2610 1.0626 0.0539 0.2971 0.1150 601 GOL B C3 5113 O O3 . GOL M . ? 0.9772 1.1824 1.0012 0.0532 0.2898 0.1038 601 GOL B O3 5114 O O1 . PG4 N . ? 0.9647 1.0667 0.7513 -0.0043 0.2624 0.1202 602 PG4 B O1 5115 C C1 . PG4 N . ? 1.0066 1.0951 0.8060 -0.0142 0.2439 0.1128 602 PG4 B C1 5116 C C2 . PG4 N . ? 1.0855 1.1774 0.8873 -0.0256 0.2300 0.1231 602 PG4 B C2 5117 O O2 . PG4 N . ? 1.0910 1.1671 0.9044 -0.0345 0.2128 0.1138 602 PG4 B O2 5118 C C3 . PG4 N . ? 1.1334 1.2002 0.9347 -0.0419 0.2048 0.1132 602 PG4 B C3 5119 C C4 . PG4 N . ? 1.0905 1.1317 0.8895 -0.0456 0.1954 0.0947 602 PG4 B C4 5120 O O3 . PG4 N . ? 0.9320 0.9629 0.7468 -0.0433 0.1920 0.0815 602 PG4 B O3 5121 C C5 . PG4 N . ? 0.9165 0.9439 0.7593 -0.0526 0.1733 0.0802 602 PG4 B C5 5122 C C6 . PG4 N . ? 0.9015 0.9125 0.7538 -0.0495 0.1710 0.0619 602 PG4 B C6 5123 O O4 . PG4 N . ? 0.9045 0.8925 0.7472 -0.0512 0.1664 0.0461 602 PG4 B O4 5124 C C7 . PG4 N . ? 1.0669 1.0425 0.9272 -0.0523 0.1580 0.0328 602 PG4 B C7 5125 C C8 . PG4 N . ? 1.0117 0.9645 0.8561 -0.0464 0.1641 0.0130 602 PG4 B C8 5126 O O5 . PG4 N . ? 1.0239 0.9770 0.8654 -0.0357 0.1772 0.0051 602 PG4 B O5 5127 S S . SO4 O . ? 0.7090 1.1064 1.0636 -0.0136 -0.0140 -0.1130 603 SO4 B S 5128 O O1 . SO4 O . ? 0.7337 1.1224 1.0760 -0.0096 -0.0118 -0.1358 603 SO4 B O1 5129 O O2 . SO4 O . ? 0.7532 1.1652 1.0993 -0.0085 0.0026 -0.0968 603 SO4 B O2 5130 O O3 . SO4 O . ? 0.5988 1.0029 0.9687 -0.0212 -0.0334 -0.1118 603 SO4 B O3 5131 O O4 . SO4 O . ? 0.5889 0.9741 0.9494 -0.0150 -0.0135 -0.1072 603 SO4 B O4 5132 C C1 . NAG P . ? 0.5193 1.2849 0.3815 0.1222 -0.0841 -0.0854 604 NAG B C1 5133 C C2 . NAG P . ? 0.4953 1.2623 0.4041 0.1369 -0.0977 -0.0812 604 NAG B C2 5134 C C3 . NAG P . ? 0.4381 1.1354 0.3488 0.1287 -0.0893 -0.0735 604 NAG B C3 5135 C C4 . NAG P . ? 0.4922 1.1272 0.3511 0.1245 -0.0568 -0.0407 604 NAG B C4 5136 C C5 . NAG P . ? 0.5479 1.1886 0.3631 0.1149 -0.0397 -0.0433 604 NAG B C5 5137 C C6 . NAG P . ? 0.6014 1.1954 0.3767 0.1181 -0.0051 -0.0039 604 NAG B C6 5138 C C7 . NAG P . ? 0.4896 1.3828 0.4981 0.1622 -0.1404 -0.1188 604 NAG B C7 5139 C C8 . NAG P . ? 0.4616 1.4464 0.5369 0.1624 -0.1706 -0.1587 604 NAG B C8 5140 N N2 . NAG P . ? 0.4320 1.2690 0.4025 0.1395 -0.1289 -0.1162 604 NAG B N2 5141 O O3 . NAG P . ? 0.4566 1.1486 0.4054 0.1432 -0.0982 -0.0670 604 NAG B O3 5142 O O4 . NAG P . ? 0.4749 1.0584 0.3410 0.1156 -0.0513 -0.0425 604 NAG B O4 5143 O O5 . NAG P . ? 0.5361 1.2390 0.3494 0.1213 -0.0507 -0.0524 604 NAG B O5 5144 O O6 . NAG P . ? 0.7095 1.2976 0.4483 0.1092 0.0172 -0.0082 604 NAG B O6 5145 O O7 . NAG P . ? 0.6327 1.5088 0.6274 0.1823 -0.1278 -0.0937 604 NAG B O7 5146 C C1 . NAG Q . ? 0.4110 0.9577 0.2876 0.1251 -0.0458 -0.0144 605 NAG B C1 5147 C C2 . NAG Q . ? 0.4070 0.8962 0.2664 0.1165 -0.0228 0.0009 605 NAG B C2 5148 C C3 . NAG Q . ? 0.4593 0.9088 0.3371 0.1221 -0.0212 0.0253 605 NAG B C3 5149 C C4 . NAG Q . ? 0.5406 1.0000 0.4619 0.1303 -0.0465 0.0092 605 NAG B C4 5150 C C5 . NAG Q . ? 0.5823 1.0993 0.5186 0.1400 -0.0646 -0.0075 605 NAG B C5 5151 C C6 . NAG Q . ? 0.5711 1.1062 0.5623 0.1493 -0.0867 -0.0299 605 NAG B C6 5152 C C7 . NAG Q . ? 0.6401 1.1079 0.4424 0.1024 0.0208 0.0017 605 NAG B C7 5153 C C8 . NAG Q . ? 0.6237 1.0934 0.4439 0.0950 0.0037 -0.0392 605 NAG B C8 5154 N N2 . NAG Q . ? 0.5156 0.9953 0.3347 0.1123 0.0050 0.0188 605 NAG B N2 5155 O O3 . NAG Q . ? 0.5401 0.9502 0.4152 0.1152 -0.0044 0.0307 605 NAG B O3 5156 O O4 . NAG Q . ? 0.6186 1.0395 0.5498 0.1357 -0.0434 0.0340 605 NAG B O4 5157 O O5 . NAG Q . ? 0.5320 1.0900 0.4563 0.1321 -0.0684 -0.0299 605 NAG B O5 5158 O O6 . NAG Q . ? 0.5531 1.1143 0.5677 0.1404 -0.1004 -0.0625 605 NAG B O6 5159 O O7 . NAG Q . ? 0.7358 1.1911 0.5108 0.1001 0.0493 0.0154 605 NAG B O7 5160 C C1 . BMA R . ? 0.6821 1.0626 0.6282 0.1313 -0.0391 0.0358 606 BMA B C1 5161 C C2 . BMA R . ? 0.7726 1.1254 0.7462 0.1393 -0.0481 0.0472 606 BMA B C2 5162 C C3 . BMA R . ? 0.8453 1.1524 0.8319 0.1363 -0.0412 0.0592 606 BMA B C3 5163 C C4 . BMA R . ? 0.7646 1.0578 0.7272 0.1266 -0.0188 0.0784 606 BMA B C4 5164 C C5 . BMA R . ? 0.7691 1.0911 0.7084 0.1222 -0.0101 0.0590 606 BMA B C5 5165 C C6 . BMA R . ? 0.8149 1.1259 0.7371 0.1158 0.0171 0.0727 606 BMA B C6 5166 O O2 . BMA R . ? 0.6852 1.0306 0.6392 0.1406 -0.0424 0.0720 606 BMA B O2 5167 O O3 . BMA R . ? 0.9204 1.1979 0.9227 0.1406 -0.0468 0.0752 606 BMA B O3 5168 O O4 . BMA R . ? 0.5853 0.8499 0.5665 0.1272 -0.0135 0.0816 606 BMA B O4 5169 O O5 . BMA R . ? 0.7305 1.0858 0.6529 0.1233 -0.0160 0.0561 606 BMA B O5 5170 O O6 . BMA R . ? 0.8649 1.1764 0.7717 0.1119 0.0290 0.1035 606 BMA B O6 5171 C C1 . MAN S . ? 0.9230 1.2277 0.8280 0.1068 0.0568 0.1180 607 MAN B C1 5172 C C2 . MAN S . ? 1.0223 1.3225 0.9237 0.1010 0.0669 0.1555 607 MAN B C2 5173 C C3 . MAN S . ? 1.1149 1.3896 1.0422 0.0986 0.0522 0.1747 607 MAN B C3 5174 C C4 . MAN S . ? 1.1168 1.3780 1.0767 0.1006 0.0553 0.1680 607 MAN B C4 5175 C C5 . MAN S . ? 1.0135 1.2794 0.9717 0.1097 0.0495 0.1318 607 MAN B C5 5176 C C6 . MAN S . ? 0.9493 1.2041 0.9357 0.1156 0.0573 0.1245 607 MAN B C6 5177 O O2 . MAN S . ? 1.0391 1.3461 0.9429 0.0967 0.0975 0.1655 607 MAN B O2 5178 O O3 . MAN S . ? 1.1639 1.4353 1.0898 0.0895 0.0618 0.2069 607 MAN B O3 5179 O O4 . MAN S . ? 1.1906 1.4263 1.1731 0.0993 0.0376 0.1806 607 MAN B O4 5180 O O5 . MAN S . ? 0.9714 1.2595 0.9032 0.1092 0.0624 0.1129 607 MAN B O5 5181 O O6 . MAN S . ? 0.9546 1.2236 0.9475 0.1146 0.0860 0.1284 607 MAN B O6 5182 C C1 . MAN T . ? 1.0162 1.2970 1.0550 0.1522 -0.0628 0.0532 608 MAN B C1 5183 C C2 . MAN T . ? 1.1052 1.3379 1.1640 0.1553 -0.0645 0.0670 608 MAN B C2 5184 C C3 . MAN T . ? 1.1433 1.3597 1.1831 0.1522 -0.0637 0.0868 608 MAN B C3 5185 C C4 . MAN T . ? 1.0878 1.3429 1.1240 0.1633 -0.0713 0.0694 608 MAN B C4 5186 C C5 . MAN T . ? 1.0967 1.4027 1.1174 0.1615 -0.0687 0.0587 608 MAN B C5 5187 C C6 . MAN T . ? 1.1307 1.4853 1.1501 0.1743 -0.0761 0.0424 608 MAN B C6 5188 O O2 . MAN T . ? 1.1013 1.3356 1.1999 0.1684 -0.0757 0.0440 608 MAN B O2 5189 O O3 . MAN T . ? 1.2099 1.3809 1.2688 0.1536 -0.0684 0.0935 608 MAN B O3 5190 O O4 . MAN T . ? 1.0390 1.2802 1.0487 0.1612 -0.0693 0.0865 608 MAN B O4 5191 O O5 . MAN T . ? 1.0418 1.3594 1.0868 0.1614 -0.0729 0.0383 608 MAN B O5 5192 O O6 . MAN T . ? 1.1459 1.5016 1.1220 0.1703 -0.0663 0.0648 608 MAN B O6 # 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 CYS 1 225 ? ? ? A . n A 1 2 SER 2 226 ? ? ? A . n A 1 3 ARG 3 227 ? ? ? A . n A 1 4 ASP 4 228 228 ASP ASP A . n A 1 5 PHE 5 229 229 PHE PHE A . n A 1 6 THR 6 230 230 THR THR A . n A 1 7 PRO 7 231 231 PRO PRO A . n A 1 8 PRO 8 232 232 PRO PRO A . n A 1 9 THR 9 233 233 THR THR A . n A 1 10 VAL 10 234 234 VAL VAL A . n A 1 11 LYS 11 235 235 LYS LYS A . n A 1 12 ILE 12 236 236 ILE ILE A . n A 1 13 LEU 13 237 237 LEU LEU A . n A 1 14 GLN 14 238 238 GLN GLN A . n A 1 15 SER 15 239 239 SER SER A . n A 1 16 SER 16 240 240 SER SER A . n A 1 17 CYS 17 241 241 CYS CYS A . n A 1 18 ASP 18 242 242 ASP ASP A . n A 1 19 GLY 19 243 243 GLY GLY A . n A 1 20 GLY 20 244 244 GLY GLY A . n A 1 21 GLY 21 245 245 GLY GLY A . n A 1 22 HIS 22 246 246 HIS HIS A . n A 1 23 PHE 23 247 247 PHE PHE A . n A 1 24 PRO 24 248 248 PRO PRO A . n A 1 25 PRO 25 249 249 PRO PRO A . n A 1 26 THR 26 250 250 THR THR A . n A 1 27 ILE 27 251 251 ILE ILE A . n A 1 28 GLN 28 252 252 GLN GLN A . n A 1 29 LEU 29 253 253 LEU LEU A . n A 1 30 LEU 30 253 253 LEU LEU A A n A 1 31 CYS 31 254 254 CYS CYS A . n A 1 32 LEU 32 255 255 LEU LEU A . n A 1 33 VAL 33 256 256 VAL VAL A . n A 1 34 SER 34 257 257 SER SER A . n A 1 35 GLY 35 258 258 GLY GLY A . n A 1 36 TYR 36 259 259 TYR TYR A . n A 1 37 THR 37 260 260 THR THR A . n A 1 38 PRO 38 261 261 PRO PRO A . n A 1 39 GLY 39 262 262 GLY GLY A . n A 1 40 THR 40 263 263 THR THR A . n A 1 41 ILE 41 264 264 ILE ILE A . n A 1 42 GLN 42 265 265 GLN GLN A . n A 1 43 ILE 43 266 266 ILE ILE A . n A 1 44 THR 44 267 267 THR THR A . n A 1 45 TRP 45 268 268 TRP TRP A . n A 1 46 LEU 46 269 269 LEU LEU A . n A 1 47 GLU 47 270 270 GLU GLU A . n A 1 48 ASP 48 271 271 ASP ASP A . n A 1 49 GLY 49 272 272 GLY GLY A . n A 1 50 GLN 50 273 273 GLN GLN A . n A 1 51 VAL 51 274 274 VAL VAL A . n A 1 52 MET 52 275 275 MET MET A . n A 1 53 ASP 53 276 276 ASP ASP A . n A 1 54 VAL 54 277 277 VAL VAL A . n A 1 55 ASP 55 278 278 ASP ASP A . n A 1 56 LEU 56 279 279 LEU LEU A . n A 1 57 SER 57 280 280 SER SER A . n A 1 58 THR 58 281 281 THR THR A . n A 1 59 ALA 59 282 282 ALA ALA A . n A 1 60 SER 60 283 283 SER SER A . n A 1 61 THR 61 284 284 THR THR A . n A 1 62 THR 62 285 285 THR THR A . n A 1 63 GLN 63 286 286 GLN GLN A . n A 1 64 GLU 64 287 287 GLU GLU A . n A 1 65 GLY 65 288 288 GLY GLY A . n A 1 66 GLU 66 289 289 GLU GLU A . n A 1 67 LEU 67 290 290 LEU LEU A . n A 1 68 ALA 68 291 291 ALA ALA A . n A 1 69 SER 69 292 292 SER SER A . n A 1 70 THR 70 293 293 THR THR A . n A 1 71 GLN 71 294 294 GLN GLN A . n A 1 72 SER 72 295 295 SER SER A . n A 1 73 GLU 73 296 296 GLU GLU A . n A 1 74 LEU 74 297 297 LEU LEU A . n A 1 75 THR 75 298 298 THR THR A . n A 1 76 LEU 76 299 299 LEU LEU A . n A 1 77 SER 77 300 300 SER SER A . n A 1 78 GLN 78 301 301 GLN GLN A . n A 1 79 LYS 79 302 302 LYS LYS A . n A 1 80 HIS 80 303 303 HIS HIS A . n A 1 81 TRP 81 304 304 TRP TRP A . n A 1 82 LEU 82 305 305 LEU LEU A . n A 1 83 SER 83 306 306 SER SER A . n A 1 84 ASP 84 307 307 ASP ASP A . n A 1 85 ARG 85 308 308 ARG ARG A . n A 1 86 THR 86 309 309 THR THR A . n A 1 87 TYR 87 310 310 TYR TYR A . n A 1 88 THR 88 311 311 THR THR A . n A 1 89 CYS 89 312 312 CYS CYS A . n A 1 90 GLN 90 313 313 GLN GLN A . n A 1 91 VAL 91 314 314 VAL VAL A . n A 1 92 THR 92 315 315 THR THR A . n A 1 93 TYR 93 316 316 TYR TYR A . n A 1 94 GLN 94 317 317 GLN GLN A . n A 1 95 GLY 95 318 318 GLY GLY A . n A 1 96 HIS 96 319 319 HIS HIS A . n A 1 97 THR 97 320 320 THR THR A . n A 1 98 PHE 98 321 321 PHE PHE A . n A 1 99 GLU 99 322 322 GLU GLU A . n A 1 100 ASP 100 323 323 ASP ASP A . n A 1 101 SER 101 324 324 SER SER A . n A 1 102 THR 102 325 325 THR THR A . n A 1 103 LYS 103 326 326 LYS LYS A . n A 1 104 LYS 104 327 327 LYS LYS A . n A 1 105 CYS 105 328 328 CYS CYS A . n A 1 106 ALA 106 329 329 ALA ALA A . n A 1 107 ASP 107 330 330 ASP ASP A . n A 1 108 SER 108 331 331 SER SER A . n A 1 109 ASN 109 332 332 ASN ASN A . n A 1 110 PRO 110 333 333 PRO PRO A . n A 1 111 ARG 111 334 334 ARG ARG A . n A 1 112 GLY 112 335 335 GLY GLY A . n A 1 113 VAL 113 336 336 VAL VAL A . n A 1 114 SER 114 337 337 SER SER A . n A 1 115 ALA 115 338 338 ALA ALA A . n A 1 116 TYR 116 339 339 TYR TYR A . n A 1 117 LEU 117 340 340 LEU LEU A . n A 1 118 SER 118 341 341 SER SER A . n A 1 119 ARG 119 342 342 ARG ARG A . n A 1 120 PRO 120 343 343 PRO PRO A . n A 1 121 SER 121 344 344 SER SER A . n A 1 122 PRO 122 345 345 PRO PRO A . n A 1 123 PHE 123 346 346 PHE PHE A . n A 1 124 ASP 124 347 347 ASP ASP A . n A 1 125 LEU 125 348 348 LEU LEU A . n A 1 126 PHE 126 349 349 PHE PHE A . n A 1 127 ILE 127 350 350 ILE ILE A . n A 1 128 ARG 128 351 351 ARG ARG A . n A 1 129 LYS 129 352 352 LYS LYS A . n A 1 130 SER 130 353 353 SER SER A . n A 1 131 PRO 131 354 354 PRO PRO A . n A 1 132 THR 132 355 355 THR THR A . n A 1 133 ILE 133 356 356 ILE ILE A . n A 1 134 THR 134 357 357 THR THR A . n A 1 135 CYS 135 358 358 CYS CYS A . n A 1 136 LEU 136 359 359 LEU LEU A . n A 1 137 VAL 137 360 360 VAL VAL A . n A 1 138 VAL 138 361 361 VAL VAL A . n A 1 139 ASP 139 362 362 ASP ASP A . n A 1 140 LEU 140 363 363 LEU LEU A . n A 1 141 ALA 141 364 364 ALA ALA A . n A 1 142 PRO 142 365 365 PRO PRO A . n A 1 143 SER 143 366 366 SER SER A . n A 1 144 LYS 144 367 367 LYS LYS A . n A 1 145 GLY 145 368 368 GLY GLY A . n A 1 146 THR 146 369 369 THR THR A . n A 1 147 VAL 147 370 370 VAL VAL A . n A 1 148 GLN 148 371 371 GLN GLN A . n A 1 149 LEU 149 372 372 LEU LEU A . n A 1 150 THR 150 373 373 THR THR A . n A 1 151 TRP 151 374 374 TRP TRP A . n A 1 152 SER 152 375 375 SER SER A . n A 1 153 ARG 153 376 376 ARG ARG A . n A 1 154 ALA 154 377 377 ALA ALA A . n A 1 155 SER 155 378 378 SER SER A . n A 1 156 GLY 156 379 379 GLY GLY A . n A 1 157 LYS 157 380 380 LYS LYS A . n A 1 158 PRO 158 381 381 PRO PRO A . n A 1 159 VAL 159 382 382 VAL VAL A . n A 1 160 ASN 160 383 383 ASN ASN A . n A 1 161 HIS 161 384 384 HIS HIS A . n A 1 162 SER 162 385 385 SER SER A . n A 1 163 THR 163 386 386 THR THR A . n A 1 164 ARG 164 387 387 ARG ARG A . n A 1 165 LYS 165 388 388 LYS LYS A . n A 1 166 GLU 166 389 389 GLU GLU A . n A 1 167 GLU 167 390 390 GLU GLU A . n A 1 168 LYS 168 391 391 LYS LYS A . n A 1 169 GLN 169 392 392 GLN GLN A . n A 1 170 ARG 170 393 393 ARG ARG A . n A 1 171 ASN 171 394 394 ASN ASN A . n A 1 172 GLY 172 395 395 GLY GLY A . n A 1 173 THR 173 396 396 THR THR A . n A 1 174 LEU 174 397 397 LEU LEU A . n A 1 175 THR 175 398 398 THR THR A . n A 1 176 VAL 176 399 399 VAL VAL A . n A 1 177 THR 177 400 400 THR THR A . n A 1 178 SER 178 401 401 SER SER A . n A 1 179 THR 179 402 402 THR THR A . n A 1 180 LEU 180 403 403 LEU LEU A . n A 1 181 PRO 181 404 404 PRO PRO A . n A 1 182 VAL 182 405 405 VAL VAL A . n A 1 183 GLY 183 406 406 GLY GLY A . n A 1 184 THR 184 407 407 THR THR A . n A 1 185 ARG 185 408 408 ARG ARG A . n A 1 186 ASP 186 409 409 ASP ASP A . n A 1 187 TRP 187 410 410 TRP TRP A . n A 1 188 ILE 188 411 411 ILE ILE A . n A 1 189 GLU 189 412 412 GLU GLU A . n A 1 190 GLY 190 413 413 GLY GLY A . n A 1 191 GLU 191 414 414 GLU GLU A . n A 1 192 THR 192 415 415 THR THR A . n A 1 193 TYR 193 416 416 TYR TYR A . n A 1 194 GLN 194 417 417 GLN GLN A . n A 1 195 CYS 195 418 418 CYS CYS A . n A 1 196 ARG 196 419 419 ARG ARG A . n A 1 197 VAL 197 420 420 VAL VAL A . n A 1 198 THR 198 421 421 THR THR A . n A 1 199 HIS 199 422 422 HIS HIS A . n A 1 200 PRO 200 423 423 PRO PRO A . n A 1 201 HIS 201 424 424 HIS HIS A . n A 1 202 LEU 202 425 425 LEU LEU A . n A 1 203 PRO 203 426 426 PRO PRO A . n A 1 204 ARG 204 427 427 ARG ARG A . n A 1 205 ALA 205 428 428 ALA ALA A . n A 1 206 LEU 206 429 429 LEU LEU A . n A 1 207 MET 207 430 430 MET MET A . n A 1 208 ARG 208 431 431 ARG ARG A . n A 1 209 SER 209 432 432 SER SER A . n A 1 210 THR 210 433 433 THR THR A . n A 1 211 THR 211 434 434 THR THR A . n A 1 212 LYS 212 435 435 LYS LYS A . n A 1 213 THR 213 436 436 THR THR A . n A 1 214 SER 214 437 437 SER SER A . n A 1 215 GLY 215 438 438 GLY GLY A . n A 1 216 PRO 216 439 439 PRO PRO A . n A 1 217 ARG 217 440 440 ARG ARG A . n A 1 218 ALA 218 441 441 ALA ALA A . n A 1 219 ALA 219 442 442 ALA ALA A . n A 1 220 PRO 220 443 443 PRO PRO A . n A 1 221 GLU 221 444 444 GLU GLU A . n A 1 222 VAL 222 445 445 VAL VAL A . n A 1 223 TYR 223 446 446 TYR TYR A . n A 1 224 ALA 224 447 447 ALA ALA A . n A 1 225 PHE 225 448 448 PHE PHE A . n A 1 226 ALA 226 449 449 ALA ALA A . n A 1 227 THR 227 450 450 THR THR A . n A 1 228 PRO 228 451 451 PRO PRO A . n A 1 229 GLU 229 452 452 GLU GLU A . n A 1 230 TRP 230 453 453 TRP TRP A . n A 1 231 PRO 231 454 454 PRO PRO A . n A 1 232 GLY 232 455 455 GLY GLY A . n A 1 233 SER 233 456 456 SER SER A . n A 1 234 ARG 234 457 457 ARG ARG A . n A 1 235 ASP 235 458 458 ASP ASP A . n A 1 236 LYS 236 459 459 LYS LYS A . n A 1 237 ARG 237 460 460 ARG ARG A . n A 1 238 THR 238 461 461 THR THR A . n A 1 239 LEU 239 462 462 LEU LEU A . n A 1 240 ALA 240 463 463 ALA ALA A . n A 1 241 CYS 241 464 464 CYS CYS A . n A 1 242 LEU 242 465 465 LEU LEU A . n A 1 243 ILE 243 466 466 ILE ILE A . n A 1 244 GLN 244 467 467 GLN GLN A . n A 1 245 ASN 245 468 468 ASN ASN A . n A 1 246 PHE 246 469 469 PHE PHE A . n A 1 247 MET 247 470 470 MET MET A . n A 1 248 PRO 248 471 471 PRO PRO A . n A 1 249 GLU 249 472 472 GLU GLU A . n A 1 250 ASP 250 473 473 ASP ASP A . n A 1 251 ILE 251 474 474 ILE ILE A . n A 1 252 SER 252 475 475 SER SER A . n A 1 253 VAL 253 476 476 VAL VAL A . n A 1 254 GLN 254 477 477 GLN GLN A . n A 1 255 TRP 255 478 478 TRP TRP A . n A 1 256 LEU 256 479 479 LEU LEU A . n A 1 257 HIS 257 480 480 HIS HIS A . n A 1 258 ASN 258 481 481 ASN ASN A . n A 1 259 GLU 259 482 482 GLU GLU A . n A 1 260 VAL 260 483 483 VAL VAL A . n A 1 261 GLN 261 484 484 GLN GLN A . n A 1 262 LEU 262 485 485 LEU LEU A . n A 1 263 PRO 263 486 486 PRO PRO A . n A 1 264 ASP 264 487 487 ASP ASP A . n A 1 265 ALA 265 488 488 ALA ALA A . n A 1 266 ARG 266 489 489 ARG ARG A . n A 1 267 HIS 267 490 490 HIS HIS A . n A 1 268 SER 268 491 491 SER SER A . n A 1 269 THR 269 492 492 THR THR A . n A 1 270 THR 270 493 493 THR THR A . n A 1 271 GLN 271 494 494 GLN GLN A . n A 1 272 PRO 272 495 495 PRO PRO A . n A 1 273 ARG 273 496 496 ARG ARG A . n A 1 274 LYS 274 497 497 LYS LYS A . n A 1 275 THR 275 498 498 THR THR A . n A 1 276 LYS 276 499 499 LYS LYS A . n A 1 277 GLY 277 500 500 GLY GLY A . n A 1 278 SER 278 501 501 SER SER A . n A 1 279 GLY 279 502 502 GLY GLY A . n A 1 280 PHE 280 503 503 PHE PHE A . n A 1 281 PHE 281 504 504 PHE PHE A . n A 1 282 VAL 282 505 505 VAL VAL A . n A 1 283 PHE 283 506 506 PHE PHE A . n A 1 284 SER 284 507 507 SER SER A . n A 1 285 ARG 285 508 508 ARG ARG A . n A 1 286 LEU 286 509 509 LEU LEU A . n A 1 287 GLU 287 510 510 GLU GLU A . n A 1 288 VAL 288 511 511 VAL VAL A . n A 1 289 THR 289 512 512 THR THR A . n A 1 290 ARG 290 513 513 ARG ARG A . n A 1 291 ALA 291 514 514 ALA ALA A . n A 1 292 GLU 292 515 515 GLU GLU A . n A 1 293 TRP 293 516 516 TRP TRP A . n A 1 294 GLU 294 517 517 GLU GLU A . n A 1 295 GLN 295 518 518 GLN GLN A . n A 1 296 LYS 296 519 519 LYS LYS A . n A 1 297 ASP 297 520 520 ASP ASP A . n A 1 298 GLU 298 521 521 GLU GLU A . n A 1 299 PHE 299 522 522 PHE PHE A . n A 1 300 ILE 300 523 523 ILE ILE A . n A 1 301 CYS 301 524 524 CYS CYS A . n A 1 302 ARG 302 525 525 ARG ARG A . n A 1 303 ALA 303 526 526 ALA ALA A . n A 1 304 VAL 304 527 527 VAL VAL A . n A 1 305 HIS 305 528 528 HIS HIS A . n A 1 306 GLU 306 529 529 GLU GLU A . n A 1 307 ALA 307 530 530 ALA ALA A . n A 1 308 ALA 308 531 531 ALA ALA A . n A 1 309 SER 309 532 532 SER SER A . n A 1 310 PRO 310 533 533 PRO PRO A . n A 1 311 SER 311 534 534 SER SER A . n A 1 312 GLN 312 535 535 GLN GLN A . n A 1 313 THR 313 536 536 THR THR A . n A 1 314 VAL 314 537 537 VAL VAL A . n A 1 315 GLN 315 538 538 GLN GLN A . n A 1 316 ARG 316 539 539 ARG ARG A . n A 1 317 ALA 317 540 540 ALA ALA A . n A 1 318 VAL 318 541 541 VAL VAL A . n A 1 319 SER 319 542 542 SER SER A . n A 1 320 VAL 320 543 543 VAL VAL A . n A 1 321 ASN 321 544 544 ASN ASN A . n A 1 322 PRO 322 545 545 PRO PRO A . n A 1 323 GLY 323 546 ? ? ? A . n B 1 1 CYS 1 225 225 CYS CYS B . n B 1 2 SER 2 226 226 SER SER B . n B 1 3 ARG 3 227 227 ARG ARG B . n B 1 4 ASP 4 228 228 ASP ASP B . n B 1 5 PHE 5 229 229 PHE PHE B . n B 1 6 THR 6 230 230 THR THR B . n B 1 7 PRO 7 231 231 PRO PRO B . n B 1 8 PRO 8 232 232 PRO PRO B . n B 1 9 THR 9 233 233 THR THR B . n B 1 10 VAL 10 234 234 VAL VAL B . n B 1 11 LYS 11 235 235 LYS LYS B . n B 1 12 ILE 12 236 236 ILE ILE B . n B 1 13 LEU 13 237 237 LEU LEU B . n B 1 14 GLN 14 238 238 GLN GLN B . n B 1 15 SER 15 239 239 SER SER B . n B 1 16 SER 16 240 240 SER SER B . n B 1 17 CYS 17 241 241 CYS CYS B . n B 1 18 ASP 18 242 242 ASP ASP B . n B 1 19 GLY 19 243 243 GLY GLY B . n B 1 20 GLY 20 244 244 GLY GLY B . n B 1 21 GLY 21 245 245 GLY GLY B . n B 1 22 HIS 22 246 246 HIS HIS B . n B 1 23 PHE 23 247 247 PHE PHE B . n B 1 24 PRO 24 248 248 PRO PRO B . n B 1 25 PRO 25 249 249 PRO PRO B . n B 1 26 THR 26 250 250 THR THR B . n B 1 27 ILE 27 251 251 ILE ILE B . n B 1 28 GLN 28 252 252 GLN GLN B . n B 1 29 LEU 29 253 253 LEU LEU B . n B 1 30 LEU 30 253 253 LEU LEU B A n B 1 31 CYS 31 254 254 CYS CYS B . n B 1 32 LEU 32 255 255 LEU LEU B . n B 1 33 VAL 33 256 256 VAL VAL B . n B 1 34 SER 34 257 257 SER SER B . n B 1 35 GLY 35 258 258 GLY GLY B . n B 1 36 TYR 36 259 259 TYR TYR B . n B 1 37 THR 37 260 260 THR THR B . n B 1 38 PRO 38 261 261 PRO PRO B . n B 1 39 GLY 39 262 262 GLY GLY B . n B 1 40 THR 40 263 263 THR THR B . n B 1 41 ILE 41 264 264 ILE ILE B . n B 1 42 GLN 42 265 265 GLN GLN B . n B 1 43 ILE 43 266 266 ILE ILE B . n B 1 44 THR 44 267 267 THR THR B . n B 1 45 TRP 45 268 268 TRP TRP B . n B 1 46 LEU 46 269 269 LEU LEU B . n B 1 47 GLU 47 270 270 GLU GLU B . n B 1 48 ASP 48 271 271 ASP ASP B . n B 1 49 GLY 49 272 272 GLY GLY B . n B 1 50 GLN 50 273 273 GLN GLN B . n B 1 51 VAL 51 274 274 VAL VAL B . n B 1 52 MET 52 275 275 MET MET B . n B 1 53 ASP 53 276 276 ASP ASP B . n B 1 54 VAL 54 277 277 VAL VAL B . n B 1 55 ASP 55 278 278 ASP ASP B . n B 1 56 LEU 56 279 279 LEU LEU B . n B 1 57 SER 57 280 280 SER SER B . n B 1 58 THR 58 281 281 THR THR B . n B 1 59 ALA 59 282 282 ALA ALA B . n B 1 60 SER 60 283 283 SER SER B . n B 1 61 THR 61 284 284 THR THR B . n B 1 62 THR 62 285 285 THR THR B . n B 1 63 GLN 63 286 286 GLN GLN B . n B 1 64 GLU 64 287 287 GLU GLU B . n B 1 65 GLY 65 288 288 GLY GLY B . n B 1 66 GLU 66 289 289 GLU GLU B . n B 1 67 LEU 67 290 290 LEU LEU B . n B 1 68 ALA 68 291 291 ALA ALA B . n B 1 69 SER 69 292 292 SER SER B . n B 1 70 THR 70 293 293 THR THR B . n B 1 71 GLN 71 294 294 GLN GLN B . n B 1 72 SER 72 295 295 SER SER B . n B 1 73 GLU 73 296 296 GLU GLU B . n B 1 74 LEU 74 297 297 LEU LEU B . n B 1 75 THR 75 298 298 THR THR B . n B 1 76 LEU 76 299 299 LEU LEU B . n B 1 77 SER 77 300 300 SER SER B . n B 1 78 GLN 78 301 301 GLN GLN B . n B 1 79 LYS 79 302 302 LYS LYS B . n B 1 80 HIS 80 303 303 HIS HIS B . n B 1 81 TRP 81 304 304 TRP TRP B . n B 1 82 LEU 82 305 305 LEU LEU B . n B 1 83 SER 83 306 306 SER SER B . n B 1 84 ASP 84 307 307 ASP ASP B . n B 1 85 ARG 85 308 308 ARG ARG B . n B 1 86 THR 86 309 309 THR THR B . n B 1 87 TYR 87 310 310 TYR TYR B . n B 1 88 THR 88 311 311 THR THR B . n B 1 89 CYS 89 312 312 CYS CYS B . n B 1 90 GLN 90 313 313 GLN GLN B . n B 1 91 VAL 91 314 314 VAL VAL B . n B 1 92 THR 92 315 315 THR THR B . n B 1 93 TYR 93 316 316 TYR TYR B . n B 1 94 GLN 94 317 317 GLN GLN B . n B 1 95 GLY 95 318 318 GLY GLY B . n B 1 96 HIS 96 319 319 HIS HIS B . n B 1 97 THR 97 320 320 THR THR B . n B 1 98 PHE 98 321 321 PHE PHE B . n B 1 99 GLU 99 322 322 GLU GLU B . n B 1 100 ASP 100 323 323 ASP ASP B . n B 1 101 SER 101 324 324 SER SER B . n B 1 102 THR 102 325 325 THR THR B . n B 1 103 LYS 103 326 326 LYS LYS B . n B 1 104 LYS 104 327 327 LYS LYS B . n B 1 105 CYS 105 328 328 CYS CYS B . n B 1 106 ALA 106 329 329 ALA ALA B . n B 1 107 ASP 107 330 330 ASP ASP B . n B 1 108 SER 108 331 331 SER SER B . n B 1 109 ASN 109 332 332 ASN ASN B . n B 1 110 PRO 110 333 333 PRO PRO B . n B 1 111 ARG 111 334 334 ARG ARG B . n B 1 112 GLY 112 335 335 GLY GLY B . n B 1 113 VAL 113 336 336 VAL VAL B . n B 1 114 SER 114 337 337 SER SER B . n B 1 115 ALA 115 338 338 ALA ALA B . n B 1 116 TYR 116 339 339 TYR TYR B . n B 1 117 LEU 117 340 340 LEU LEU B . n B 1 118 SER 118 341 341 SER SER B . n B 1 119 ARG 119 342 342 ARG ARG B . n B 1 120 PRO 120 343 343 PRO PRO B . n B 1 121 SER 121 344 344 SER SER B . n B 1 122 PRO 122 345 345 PRO PRO B . n B 1 123 PHE 123 346 346 PHE PHE B . n B 1 124 ASP 124 347 347 ASP ASP B . n B 1 125 LEU 125 348 348 LEU LEU B . n B 1 126 PHE 126 349 349 PHE PHE B . n B 1 127 ILE 127 350 350 ILE ILE B . n B 1 128 ARG 128 351 351 ARG ARG B . n B 1 129 LYS 129 352 352 LYS LYS B . n B 1 130 SER 130 353 353 SER SER B . n B 1 131 PRO 131 354 354 PRO PRO B . n B 1 132 THR 132 355 355 THR THR B . n B 1 133 ILE 133 356 356 ILE ILE B . n B 1 134 THR 134 357 357 THR THR B . n B 1 135 CYS 135 358 358 CYS CYS B . n B 1 136 LEU 136 359 359 LEU LEU B . n B 1 137 VAL 137 360 360 VAL VAL B . n B 1 138 VAL 138 361 361 VAL VAL B . n B 1 139 ASP 139 362 362 ASP ASP B . n B 1 140 LEU 140 363 363 LEU LEU B . n B 1 141 ALA 141 364 364 ALA ALA B . n B 1 142 PRO 142 365 365 PRO PRO B . n B 1 143 SER 143 366 366 SER SER B . n B 1 144 LYS 144 367 367 LYS LYS B . n B 1 145 GLY 145 368 368 GLY GLY B . n B 1 146 THR 146 369 369 THR THR B . n B 1 147 VAL 147 370 370 VAL VAL B . n B 1 148 GLN 148 371 371 GLN GLN B . n B 1 149 LEU 149 372 372 LEU LEU B . n B 1 150 THR 150 373 373 THR THR B . n B 1 151 TRP 151 374 374 TRP TRP B . n B 1 152 SER 152 375 375 SER SER B . n B 1 153 ARG 153 376 376 ARG ARG B . n B 1 154 ALA 154 377 377 ALA ALA B . n B 1 155 SER 155 378 378 SER SER B . n B 1 156 GLY 156 379 379 GLY GLY B . n B 1 157 LYS 157 380 380 LYS LYS B . n B 1 158 PRO 158 381 381 PRO PRO B . n B 1 159 VAL 159 382 382 VAL VAL B . n B 1 160 ASN 160 383 383 ASN ASN B . n B 1 161 HIS 161 384 384 HIS HIS B . n B 1 162 SER 162 385 385 SER SER B . n B 1 163 THR 163 386 386 THR THR B . n B 1 164 ARG 164 387 387 ARG ARG B . n B 1 165 LYS 165 388 388 LYS LYS B . n B 1 166 GLU 166 389 389 GLU GLU B . n B 1 167 GLU 167 390 390 GLU GLU B . n B 1 168 LYS 168 391 391 LYS LYS B . n B 1 169 GLN 169 392 392 GLN GLN B . n B 1 170 ARG 170 393 393 ARG ARG B . n B 1 171 ASN 171 394 394 ASN ASN B . n B 1 172 GLY 172 395 395 GLY GLY B . n B 1 173 THR 173 396 396 THR THR B . n B 1 174 LEU 174 397 397 LEU LEU B . n B 1 175 THR 175 398 398 THR THR B . n B 1 176 VAL 176 399 399 VAL VAL B . n B 1 177 THR 177 400 400 THR THR B . n B 1 178 SER 178 401 401 SER SER B . n B 1 179 THR 179 402 402 THR THR B . n B 1 180 LEU 180 403 403 LEU LEU B . n B 1 181 PRO 181 404 404 PRO PRO B . n B 1 182 VAL 182 405 405 VAL VAL B . n B 1 183 GLY 183 406 406 GLY GLY B . n B 1 184 THR 184 407 407 THR THR B . n B 1 185 ARG 185 408 408 ARG ARG B . n B 1 186 ASP 186 409 409 ASP ASP B . n B 1 187 TRP 187 410 410 TRP TRP B . n B 1 188 ILE 188 411 411 ILE ILE B . n B 1 189 GLU 189 412 412 GLU GLU B . n B 1 190 GLY 190 413 413 GLY GLY B . n B 1 191 GLU 191 414 414 GLU GLU B . n B 1 192 THR 192 415 415 THR THR B . n B 1 193 TYR 193 416 416 TYR TYR B . n B 1 194 GLN 194 417 417 GLN GLN B . n B 1 195 CYS 195 418 418 CYS CYS B . n B 1 196 ARG 196 419 419 ARG ARG B . n B 1 197 VAL 197 420 420 VAL VAL B . n B 1 198 THR 198 421 421 THR THR B . n B 1 199 HIS 199 422 422 HIS HIS B . n B 1 200 PRO 200 423 423 PRO PRO B . n B 1 201 HIS 201 424 424 HIS HIS B . n B 1 202 LEU 202 425 425 LEU LEU B . n B 1 203 PRO 203 426 426 PRO PRO B . n B 1 204 ARG 204 427 427 ARG ARG B . n B 1 205 ALA 205 428 428 ALA ALA B . n B 1 206 LEU 206 429 429 LEU LEU B . n B 1 207 MET 207 430 430 MET MET B . n B 1 208 ARG 208 431 431 ARG ARG B . n B 1 209 SER 209 432 432 SER SER B . n B 1 210 THR 210 433 433 THR THR B . n B 1 211 THR 211 434 434 THR THR B . n B 1 212 LYS 212 435 435 LYS LYS B . n B 1 213 THR 213 436 436 THR THR B . n B 1 214 SER 214 437 437 SER SER B . n B 1 215 GLY 215 438 438 GLY GLY B . n B 1 216 PRO 216 439 439 PRO PRO B . n B 1 217 ARG 217 440 440 ARG ARG B . n B 1 218 ALA 218 441 441 ALA ALA B . n B 1 219 ALA 219 442 442 ALA ALA B . n B 1 220 PRO 220 443 443 PRO PRO B . n B 1 221 GLU 221 444 444 GLU GLU B . n B 1 222 VAL 222 445 445 VAL VAL B . n B 1 223 TYR 223 446 446 TYR TYR B . n B 1 224 ALA 224 447 447 ALA ALA B . n B 1 225 PHE 225 448 448 PHE PHE B . n B 1 226 ALA 226 449 449 ALA ALA B . n B 1 227 THR 227 450 450 THR THR B . n B 1 228 PRO 228 451 451 PRO PRO B . n B 1 229 GLU 229 452 452 GLU GLU B . n B 1 230 TRP 230 453 453 TRP TRP B . n B 1 231 PRO 231 454 454 PRO PRO B . n B 1 232 GLY 232 455 455 GLY GLY B . n B 1 233 SER 233 456 456 SER SER B . n B 1 234 ARG 234 457 457 ARG ARG B . n B 1 235 ASP 235 458 458 ASP ASP B . n B 1 236 LYS 236 459 459 LYS LYS B . n B 1 237 ARG 237 460 460 ARG ARG B . n B 1 238 THR 238 461 461 THR THR B . n B 1 239 LEU 239 462 462 LEU LEU B . n B 1 240 ALA 240 463 463 ALA ALA B . n B 1 241 CYS 241 464 464 CYS CYS B . n B 1 242 LEU 242 465 465 LEU LEU B . n B 1 243 ILE 243 466 466 ILE ILE B . n B 1 244 GLN 244 467 467 GLN GLN B . n B 1 245 ASN 245 468 468 ASN ASN B . n B 1 246 PHE 246 469 469 PHE PHE B . n B 1 247 MET 247 470 470 MET MET B . n B 1 248 PRO 248 471 471 PRO PRO B . n B 1 249 GLU 249 472 472 GLU GLU B . n B 1 250 ASP 250 473 473 ASP ASP B . n B 1 251 ILE 251 474 474 ILE ILE B . n B 1 252 SER 252 475 475 SER SER B . n B 1 253 VAL 253 476 476 VAL VAL B . n B 1 254 GLN 254 477 477 GLN GLN B . n B 1 255 TRP 255 478 478 TRP TRP B . n B 1 256 LEU 256 479 479 LEU LEU B . n B 1 257 HIS 257 480 480 HIS HIS B . n B 1 258 ASN 258 481 481 ASN ASN B . n B 1 259 GLU 259 482 482 GLU GLU B . n B 1 260 VAL 260 483 483 VAL VAL B . n B 1 261 GLN 261 484 484 GLN GLN B . n B 1 262 LEU 262 485 485 LEU LEU B . n B 1 263 PRO 263 486 486 PRO PRO B . n B 1 264 ASP 264 487 487 ASP ASP B . n B 1 265 ALA 265 488 488 ALA ALA B . n B 1 266 ARG 266 489 489 ARG ARG B . n B 1 267 HIS 267 490 490 HIS HIS B . n B 1 268 SER 268 491 491 SER SER B . n B 1 269 THR 269 492 492 THR THR B . n B 1 270 THR 270 493 493 THR THR B . n B 1 271 GLN 271 494 494 GLN GLN B . n B 1 272 PRO 272 495 495 PRO PRO B . n B 1 273 ARG 273 496 496 ARG ARG B . n B 1 274 LYS 274 497 497 LYS LYS B . n B 1 275 THR 275 498 498 THR THR B . n B 1 276 LYS 276 499 499 LYS LYS B . n B 1 277 GLY 277 500 500 GLY GLY B . n B 1 278 SER 278 501 501 SER SER B . n B 1 279 GLY 279 502 502 GLY GLY B . n B 1 280 PHE 280 503 503 PHE PHE B . n B 1 281 PHE 281 504 504 PHE PHE B . n B 1 282 VAL 282 505 505 VAL VAL B . n B 1 283 PHE 283 506 506 PHE PHE B . n B 1 284 SER 284 507 507 SER SER B . n B 1 285 ARG 285 508 508 ARG ARG B . n B 1 286 LEU 286 509 509 LEU LEU B . n B 1 287 GLU 287 510 510 GLU GLU B . n B 1 288 VAL 288 511 511 VAL VAL B . n B 1 289 THR 289 512 512 THR THR B . n B 1 290 ARG 290 513 513 ARG ARG B . n B 1 291 ALA 291 514 514 ALA ALA B . n B 1 292 GLU 292 515 515 GLU GLU B . n B 1 293 TRP 293 516 516 TRP TRP B . n B 1 294 GLU 294 517 517 GLU GLU B . n B 1 295 GLN 295 518 518 GLN GLN B . n B 1 296 LYS 296 519 519 LYS LYS B . n B 1 297 ASP 297 520 520 ASP ASP B . n B 1 298 GLU 298 521 521 GLU GLU B . n B 1 299 PHE 299 522 522 PHE PHE B . n B 1 300 ILE 300 523 523 ILE ILE B . n B 1 301 CYS 301 524 524 CYS CYS B . n B 1 302 ARG 302 525 525 ARG ARG B . n B 1 303 ALA 303 526 526 ALA ALA B . n B 1 304 VAL 304 527 527 VAL VAL B . n B 1 305 HIS 305 528 528 HIS HIS B . n B 1 306 GLU 306 529 529 GLU GLU B . n B 1 307 ALA 307 530 530 ALA ALA B . n B 1 308 ALA 308 531 531 ALA ALA B . n B 1 309 SER 309 532 532 SER SER B . n B 1 310 PRO 310 533 533 PRO PRO B . n B 1 311 SER 311 534 534 SER SER B . n B 1 312 GLN 312 535 535 GLN GLN B . n B 1 313 THR 313 536 536 THR THR B . n B 1 314 VAL 314 537 537 VAL VAL B . n B 1 315 GLN 315 538 538 GLN GLN B . n B 1 316 ARG 316 539 539 ARG ARG B . n B 1 317 ALA 317 540 540 ALA ALA B . n B 1 318 VAL 318 541 541 VAL VAL B . n B 1 319 SER 319 542 542 SER SER B . n B 1 320 VAL 320 543 543 VAL VAL B . n B 1 321 ASN 321 544 544 ASN ASN B . n B 1 322 PRO 322 545 545 PRO PRO B . n B 1 323 GLY 323 546 546 GLY GLY B . 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 C 2 NAG 1 601 946 NAG NAG A . D 2 NAG 2 602 947 NAG NAG A . E 3 BMA 3 603 948 BMA BMA A . F 4 MAN 4 604 949 MAN MAN A . G 4 MAN 5 605 950 MAN MAN A . H 5 SO4 1 606 951 SO4 SO4 A . I 5 SO4 1 607 952 SO4 SO4 A . J 5 SO4 1 608 953 SO4 SO4 A . K 6 GOL 1 609 954 GOL GOL A . L 7 TRS 1 610 956 TRS TRS A . M 6 GOL 1 601 955 GOL GOL B . N 8 PG4 1 602 957 PG4 PG4 B . O 5 SO4 1 603 946 SO4 SO4 B . P 2 NAG 1 604 947 NAG NAG B . Q 2 NAG 2 605 948 NAG NAG B . R 3 BMA 3 606 949 BMA BMA B . S 4 MAN 4 607 950 MAN MAN B . T 4 MAN 5 608 951 MAN MAN B . U 9 HOH 1 701 2237 HOH HOH A . U 9 HOH 2 702 2211 HOH HOH A . U 9 HOH 3 703 2172 HOH HOH A . U 9 HOH 4 704 2236 HOH HOH A . U 9 HOH 5 705 2163 HOH HOH A . U 9 HOH 6 706 2024 HOH HOH A . U 9 HOH 7 707 2161 HOH HOH A . U 9 HOH 8 708 2191 HOH HOH A . U 9 HOH 9 709 2232 HOH HOH A . U 9 HOH 10 710 2043 HOH HOH A . U 9 HOH 11 711 2002 HOH HOH A . U 9 HOH 12 712 2228 HOH HOH A . U 9 HOH 13 713 2036 HOH HOH A . U 9 HOH 14 714 2082 HOH HOH A . U 9 HOH 15 715 2040 HOH HOH A . U 9 HOH 16 716 2189 HOH HOH A . U 9 HOH 17 717 2201 HOH HOH A . U 9 HOH 18 718 2231 HOH HOH A . U 9 HOH 19 719 2004 HOH HOH A . U 9 HOH 20 720 2090 HOH HOH A . U 9 HOH 21 721 2179 HOH HOH A . U 9 HOH 22 722 2243 HOH HOH A . U 9 HOH 23 723 2240 HOH HOH A . U 9 HOH 24 724 2075 HOH HOH A . U 9 HOH 25 725 2145 HOH HOH A . U 9 HOH 26 726 2114 HOH HOH A . U 9 HOH 27 727 2202 HOH HOH A . U 9 HOH 28 728 2171 HOH HOH A . U 9 HOH 29 729 2028 HOH HOH A . U 9 HOH 30 730 2199 HOH HOH A . U 9 HOH 31 731 2060 HOH HOH A . U 9 HOH 32 732 2123 HOH HOH A . U 9 HOH 33 733 2025 HOH HOH A . U 9 HOH 34 734 2105 HOH HOH A . U 9 HOH 35 735 2046 HOH HOH A . U 9 HOH 36 736 2165 HOH HOH A . U 9 HOH 37 737 2234 HOH HOH A . U 9 HOH 38 738 2009 HOH HOH A . U 9 HOH 39 739 2079 HOH HOH A . U 9 HOH 40 740 2018 HOH HOH A . U 9 HOH 41 741 2097 HOH HOH A . U 9 HOH 42 742 2104 HOH HOH A . U 9 HOH 43 743 2217 HOH HOH A . U 9 HOH 44 744 2038 HOH HOH A . U 9 HOH 45 745 2157 HOH HOH A . U 9 HOH 46 746 2057 HOH HOH A . U 9 HOH 47 747 2164 HOH HOH A . U 9 HOH 48 748 2099 HOH HOH A . U 9 HOH 49 749 2256 HOH HOH A . U 9 HOH 50 750 2016 HOH HOH A . U 9 HOH 51 751 2126 HOH HOH A . U 9 HOH 52 752 2244 HOH HOH A . U 9 HOH 53 753 2224 HOH HOH A . U 9 HOH 54 754 2253 HOH HOH A . U 9 HOH 55 755 2175 HOH HOH A . U 9 HOH 56 756 2208 HOH HOH A . U 9 HOH 57 757 2019 HOH HOH A . U 9 HOH 58 758 2051 HOH HOH A . U 9 HOH 59 759 2160 HOH HOH A . U 9 HOH 60 760 2070 HOH HOH A . U 9 HOH 61 761 2203 HOH HOH A . U 9 HOH 62 762 2102 HOH HOH A . U 9 HOH 63 763 2153 HOH HOH A . U 9 HOH 64 764 2248 HOH HOH A . U 9 HOH 65 765 2245 HOH HOH A . U 9 HOH 66 766 2005 HOH HOH A . U 9 HOH 67 767 2182 HOH HOH A . U 9 HOH 68 768 2204 HOH HOH A . U 9 HOH 69 769 2008 HOH HOH A . U 9 HOH 70 770 2042 HOH HOH A . U 9 HOH 71 771 2003 HOH HOH A . U 9 HOH 72 772 2226 HOH HOH A . U 9 HOH 73 773 2155 HOH HOH A . U 9 HOH 74 774 2221 HOH HOH A . U 9 HOH 75 775 2015 HOH HOH A . U 9 HOH 76 776 2192 HOH HOH A . U 9 HOH 77 777 2056 HOH HOH A . U 9 HOH 78 778 2220 HOH HOH A . U 9 HOH 79 779 2058 HOH HOH A . U 9 HOH 80 780 2138 HOH HOH A . U 9 HOH 81 781 2073 HOH HOH A . U 9 HOH 82 782 2215 HOH HOH A . U 9 HOH 83 783 2117 HOH HOH A . U 9 HOH 84 784 2181 HOH HOH A . U 9 HOH 85 785 2230 HOH HOH A . U 9 HOH 86 786 2254 HOH HOH A . U 9 HOH 87 787 2101 HOH HOH A . U 9 HOH 88 788 2169 HOH HOH A . U 9 HOH 89 789 2222 HOH HOH A . U 9 HOH 90 790 2198 HOH HOH A . U 9 HOH 91 791 2065 HOH HOH A . U 9 HOH 92 792 2183 HOH HOH A . U 9 HOH 93 793 2177 HOH HOH A . U 9 HOH 94 794 2152 HOH HOH A . U 9 HOH 95 795 2081 HOH HOH A . U 9 HOH 96 796 2086 HOH HOH A . U 9 HOH 97 797 2091 HOH HOH A . U 9 HOH 98 798 2041 HOH HOH A . U 9 HOH 99 799 2121 HOH HOH A . U 9 HOH 100 800 2092 HOH HOH A . U 9 HOH 101 801 2194 HOH HOH A . U 9 HOH 102 802 2078 HOH HOH A . U 9 HOH 103 803 2029 HOH HOH A . U 9 HOH 104 804 2095 HOH HOH A . U 9 HOH 105 805 2213 HOH HOH A . U 9 HOH 106 806 2132 HOH HOH A . U 9 HOH 107 807 2007 HOH HOH A . U 9 HOH 108 808 2066 HOH HOH A . U 9 HOH 109 809 2127 HOH HOH A . U 9 HOH 110 810 2122 HOH HOH A . U 9 HOH 111 811 2247 HOH HOH A . U 9 HOH 112 812 2006 HOH HOH A . U 9 HOH 113 813 2084 HOH HOH A . U 9 HOH 114 814 2227 HOH HOH A . U 9 HOH 115 815 2047 HOH HOH A . U 9 HOH 116 816 2037 HOH HOH A . U 9 HOH 117 817 2196 HOH HOH A . U 9 HOH 118 818 2251 HOH HOH A . U 9 HOH 119 819 2184 HOH HOH A . U 9 HOH 120 820 2178 HOH HOH A . U 9 HOH 121 821 2103 HOH HOH A . U 9 HOH 122 822 2167 HOH HOH A . U 9 HOH 123 823 2064 HOH HOH A . U 9 HOH 124 824 2166 HOH HOH A . U 9 HOH 125 825 2142 HOH HOH A . U 9 HOH 126 826 2200 HOH HOH A . U 9 HOH 127 827 2209 HOH HOH A . U 9 HOH 128 828 2059 HOH HOH A . U 9 HOH 129 829 2049 HOH HOH A . U 9 HOH 130 830 2190 HOH HOH A . U 9 HOH 131 831 2035 HOH HOH A . U 9 HOH 132 832 2148 HOH HOH A . U 9 HOH 133 833 2077 HOH HOH A . U 9 HOH 134 834 2214 HOH HOH A . U 9 HOH 135 835 2062 HOH HOH A . U 9 HOH 136 836 2048 HOH HOH A . U 9 HOH 137 837 2118 HOH HOH A . U 9 HOH 138 838 2176 HOH HOH A . U 9 HOH 139 839 2053 HOH HOH A . U 9 HOH 140 840 2054 HOH HOH A . U 9 HOH 141 841 2021 HOH HOH A . U 9 HOH 142 842 2131 HOH HOH A . U 9 HOH 143 843 2017 HOH HOH A . U 9 HOH 144 844 2030 HOH HOH A . U 9 HOH 145 845 2020 HOH HOH A . U 9 HOH 146 846 2063 HOH HOH A . U 9 HOH 147 847 2162 HOH HOH A . U 9 HOH 148 848 2072 HOH HOH A . U 9 HOH 149 849 2238 HOH HOH A . U 9 HOH 150 850 2210 HOH HOH A . U 9 HOH 151 851 2180 HOH HOH A . U 9 HOH 152 852 2052 HOH HOH A . U 9 HOH 153 853 2249 HOH HOH A . U 9 HOH 154 854 2022 HOH HOH A . U 9 HOH 155 855 2044 HOH HOH A . U 9 HOH 156 856 2109 HOH HOH A . U 9 HOH 157 857 2159 HOH HOH A . U 9 HOH 158 858 2252 HOH HOH A . U 9 HOH 159 859 2034 HOH HOH A . U 9 HOH 160 860 2193 HOH HOH A . U 9 HOH 161 861 2087 HOH HOH A . U 9 HOH 162 862 2185 HOH HOH A . U 9 HOH 163 863 2094 HOH HOH A . U 9 HOH 164 864 2242 HOH HOH A . U 9 HOH 165 865 2246 HOH HOH A . U 9 HOH 166 866 2012 HOH HOH A . U 9 HOH 167 867 2013 HOH HOH A . U 9 HOH 168 868 2085 HOH HOH A . U 9 HOH 169 869 2080 HOH HOH A . U 9 HOH 170 870 2206 HOH HOH A . U 9 HOH 171 871 2174 HOH HOH A . U 9 HOH 172 872 2023 HOH HOH A . U 9 HOH 173 873 2212 HOH HOH A . U 9 HOH 174 874 2187 HOH HOH A . U 9 HOH 175 875 2188 HOH HOH A . U 9 HOH 176 876 2115 HOH HOH A . U 9 HOH 177 877 2218 HOH HOH A . U 9 HOH 178 878 2061 HOH HOH A . U 9 HOH 179 879 2195 HOH HOH A . U 9 HOH 180 880 2235 HOH HOH A . U 9 HOH 181 881 2001 HOH HOH A . U 9 HOH 182 882 2031 HOH HOH A . U 9 HOH 183 883 2068 HOH HOH A . U 9 HOH 184 884 2229 HOH HOH A . U 9 HOH 185 885 2219 HOH HOH A . U 9 HOH 186 886 2173 HOH HOH A . U 9 HOH 187 887 2225 HOH HOH A . U 9 HOH 188 888 2250 HOH HOH A . U 9 HOH 189 889 2223 HOH HOH A . U 9 HOH 190 890 2100 HOH HOH A . U 9 HOH 191 891 2069 HOH HOH A . U 9 HOH 192 892 2027 HOH HOH A . U 9 HOH 193 893 2026 HOH HOH A . U 9 HOH 194 894 2050 HOH HOH A . U 9 HOH 195 895 2129 HOH HOH A . U 9 HOH 196 896 2130 HOH HOH A . U 9 HOH 197 897 2124 HOH HOH A . U 9 HOH 198 898 2033 HOH HOH A . U 9 HOH 199 899 2119 HOH HOH A . U 9 HOH 200 900 2233 HOH HOH A . U 9 HOH 201 901 2207 HOH HOH A . U 9 HOH 202 902 2113 HOH HOH A . U 9 HOH 203 903 2011 HOH HOH A . U 9 HOH 204 904 2205 HOH HOH A . U 9 HOH 205 905 2197 HOH HOH A . U 9 HOH 206 906 2014 HOH HOH A . U 9 HOH 207 907 2055 HOH HOH A . U 9 HOH 208 908 2032 HOH HOH A . U 9 HOH 209 909 2128 HOH HOH A . U 9 HOH 210 910 2039 HOH HOH A . U 9 HOH 211 911 2149 HOH HOH A . U 9 HOH 212 912 2076 HOH HOH A . U 9 HOH 213 913 2216 HOH HOH A . U 9 HOH 214 914 2170 HOH HOH A . U 9 HOH 215 915 2045 HOH HOH A . U 9 HOH 216 916 2255 HOH HOH A . U 9 HOH 217 917 2168 HOH HOH A . U 9 HOH 218 918 2010 HOH HOH A . U 9 HOH 219 919 2067 HOH HOH A . U 9 HOH 220 920 2186 HOH HOH A . U 9 HOH 221 921 2241 HOH HOH A . U 9 HOH 222 922 2239 HOH HOH A . U 9 HOH 223 923 2144 HOH HOH A . U 9 HOH 224 924 2111 HOH HOH A . U 9 HOH 225 925 2133 HOH HOH A . U 9 HOH 226 926 2156 HOH HOH A . U 9 HOH 227 927 2142 HOH HOH A . U 9 HOH 228 928 2088 HOH HOH A . U 9 HOH 229 929 2093 HOH HOH A . U 9 HOH 230 930 2089 HOH HOH A . U 9 HOH 231 931 2143 HOH HOH A . U 9 HOH 232 932 2083 HOH HOH A . U 9 HOH 233 933 2098 HOH HOH A . U 9 HOH 234 934 2146 HOH HOH A . U 9 HOH 235 935 2150 HOH HOH A . U 9 HOH 236 936 2110 HOH HOH A . U 9 HOH 237 937 2139 HOH HOH A . U 9 HOH 238 938 2158 HOH HOH A . U 9 HOH 239 939 2141 HOH HOH A . U 9 HOH 240 940 2107 HOH HOH A . U 9 HOH 241 941 2108 HOH HOH A . U 9 HOH 242 942 2120 HOH HOH A . U 9 HOH 243 943 2041 HOH HOH A . U 9 HOH 244 944 2112 HOH HOH A . U 9 HOH 245 945 2136 HOH HOH A . U 9 HOH 246 946 2140 HOH HOH A . U 9 HOH 247 947 2137 HOH HOH A . U 9 HOH 248 948 2134 HOH HOH A . U 9 HOH 249 949 2116 HOH HOH A . U 9 HOH 250 950 2151 HOH HOH A . U 9 HOH 251 951 2074 HOH HOH A . U 9 HOH 252 952 2147 HOH HOH A . U 9 HOH 253 953 2154 HOH HOH A . U 9 HOH 254 954 2135 HOH HOH A . U 9 HOH 255 955 2125 HOH HOH A . V 9 HOH 1 701 2258 HOH HOH B . V 9 HOH 2 702 2009 HOH HOH B . V 9 HOH 3 703 2080 HOH HOH B . V 9 HOH 4 704 2141 HOH HOH B . V 9 HOH 5 705 2159 HOH HOH B . V 9 HOH 6 706 2166 HOH HOH B . V 9 HOH 7 707 2067 HOH HOH B . V 9 HOH 8 708 2151 HOH HOH B . V 9 HOH 9 709 2034 HOH HOH B . V 9 HOH 10 710 2181 HOH HOH B . V 9 HOH 11 711 2219 HOH HOH B . V 9 HOH 12 712 2204 HOH HOH B . V 9 HOH 13 713 2008 HOH HOH B . V 9 HOH 14 714 2194 HOH HOH B . V 9 HOH 15 715 2199 HOH HOH B . V 9 HOH 16 716 2244 HOH HOH B . V 9 HOH 17 717 2171 HOH HOH B . V 9 HOH 18 718 2035 HOH HOH B . V 9 HOH 19 719 2257 HOH HOH B . V 9 HOH 20 720 2026 HOH HOH B . V 9 HOH 21 721 2177 HOH HOH B . V 9 HOH 22 722 2183 HOH HOH B . V 9 HOH 23 723 2020 HOH HOH B . V 9 HOH 24 724 2065 HOH HOH B . V 9 HOH 25 725 2013 HOH HOH B . V 9 HOH 26 726 2094 HOH HOH B . V 9 HOH 27 727 2238 HOH HOH B . V 9 HOH 28 728 2186 HOH HOH B . V 9 HOH 29 729 2081 HOH HOH B . V 9 HOH 30 730 2053 HOH HOH B . V 9 HOH 31 731 2242 HOH HOH B . V 9 HOH 32 732 2250 HOH HOH B . V 9 HOH 33 733 2135 HOH HOH B . V 9 HOH 34 734 2237 HOH HOH B . V 9 HOH 35 735 2011 HOH HOH B . V 9 HOH 36 736 2061 HOH HOH B . V 9 HOH 37 737 2213 HOH HOH B . V 9 HOH 38 738 2153 HOH HOH B . V 9 HOH 39 739 2245 HOH HOH B . V 9 HOH 40 740 2201 HOH HOH B . V 9 HOH 41 741 2016 HOH HOH B . V 9 HOH 42 742 2042 HOH HOH B . V 9 HOH 43 743 2221 HOH HOH B . V 9 HOH 44 744 2110 HOH HOH B . V 9 HOH 45 745 2050 HOH HOH B . V 9 HOH 46 746 2241 HOH HOH B . V 9 HOH 47 747 2164 HOH HOH B . V 9 HOH 48 748 2234 HOH HOH B . V 9 HOH 49 749 2144 HOH HOH B . V 9 HOH 50 750 2015 HOH HOH B . V 9 HOH 51 751 2043 HOH HOH B . V 9 HOH 52 752 2207 HOH HOH B . V 9 HOH 53 753 2032 HOH HOH B . V 9 HOH 54 754 2044 HOH HOH B . V 9 HOH 55 755 2187 HOH HOH B . V 9 HOH 56 756 2108 HOH HOH B . V 9 HOH 57 757 2251 HOH HOH B . V 9 HOH 58 758 2223 HOH HOH B . V 9 HOH 59 759 2168 HOH HOH B . V 9 HOH 60 760 2003 HOH HOH B . V 9 HOH 61 761 2054 HOH HOH B . V 9 HOH 62 762 2195 HOH HOH B . V 9 HOH 63 763 2170 HOH HOH B . V 9 HOH 64 764 2052 HOH HOH B . V 9 HOH 65 765 2124 HOH HOH B . V 9 HOH 66 766 2231 HOH HOH B . V 9 HOH 67 767 2192 HOH HOH B . V 9 HOH 68 768 2160 HOH HOH B . V 9 HOH 69 769 2161 HOH HOH B . V 9 HOH 70 770 2264 HOH HOH B . V 9 HOH 71 771 2235 HOH HOH B . V 9 HOH 72 772 2132 HOH HOH B . V 9 HOH 73 773 2211 HOH HOH B . V 9 HOH 74 774 2228 HOH HOH B . V 9 HOH 75 775 2001 HOH HOH B . V 9 HOH 76 776 2188 HOH HOH B . V 9 HOH 77 777 2122 HOH HOH B . V 9 HOH 78 778 2202 HOH HOH B . V 9 HOH 79 779 2197 HOH HOH B . V 9 HOH 80 780 2134 HOH HOH B . V 9 HOH 81 781 2084 HOH HOH B . V 9 HOH 82 782 2100 HOH HOH B . V 9 HOH 83 783 2029 HOH HOH B . V 9 HOH 84 784 2017 HOH HOH B . V 9 HOH 85 785 2115 HOH HOH B . V 9 HOH 86 786 2172 HOH HOH B . V 9 HOH 87 787 2127 HOH HOH B . V 9 HOH 88 788 2005 HOH HOH B . V 9 HOH 89 789 2175 HOH HOH B . V 9 HOH 90 790 2133 HOH HOH B . V 9 HOH 91 791 2180 HOH HOH B . V 9 HOH 92 792 2176 HOH HOH B . V 9 HOH 93 793 2269 HOH HOH B . V 9 HOH 94 794 2106 HOH HOH B . V 9 HOH 95 795 2140 HOH HOH B . V 9 HOH 96 796 2055 HOH HOH B . V 9 HOH 97 797 2066 HOH HOH B . V 9 HOH 98 798 2152 HOH HOH B . V 9 HOH 99 799 2038 HOH HOH B . V 9 HOH 100 800 2254 HOH HOH B . V 9 HOH 101 801 2236 HOH HOH B . V 9 HOH 102 802 2099 HOH HOH B . V 9 HOH 103 803 2089 HOH HOH B . V 9 HOH 104 804 2131 HOH HOH B . V 9 HOH 105 805 2149 HOH HOH B . V 9 HOH 106 806 2036 HOH HOH B . V 9 HOH 107 807 2040 HOH HOH B . V 9 HOH 108 808 2178 HOH HOH B . V 9 HOH 109 809 2226 HOH HOH B . V 9 HOH 110 810 2047 HOH HOH B . V 9 HOH 111 811 2208 HOH HOH B . V 9 HOH 112 812 2157 HOH HOH B . V 9 HOH 113 813 2261 HOH HOH B . V 9 HOH 114 814 2203 HOH HOH B . V 9 HOH 115 815 2024 HOH HOH B . V 9 HOH 116 816 2002 HOH HOH B . V 9 HOH 117 817 2028 HOH HOH B . V 9 HOH 118 818 2126 HOH HOH B . V 9 HOH 119 819 2148 HOH HOH B . V 9 HOH 120 820 2087 HOH HOH B . V 9 HOH 121 821 2225 HOH HOH B . V 9 HOH 122 822 2018 HOH HOH B . V 9 HOH 123 823 2096 HOH HOH B . V 9 HOH 124 824 2154 HOH HOH B . V 9 HOH 125 825 2014 HOH HOH B . V 9 HOH 126 826 2083 HOH HOH B . V 9 HOH 127 827 2019 HOH HOH B . V 9 HOH 128 828 2004 HOH HOH B . V 9 HOH 129 829 2216 HOH HOH B . V 9 HOH 130 830 2239 HOH HOH B . V 9 HOH 131 831 2222 HOH HOH B . V 9 HOH 132 832 2174 HOH HOH B . V 9 HOH 133 833 2112 HOH HOH B . V 9 HOH 134 834 2246 HOH HOH B . V 9 HOH 135 835 2158 HOH HOH B . V 9 HOH 136 836 2125 HOH HOH B . V 9 HOH 137 837 2022 HOH HOH B . V 9 HOH 138 838 2212 HOH HOH B . V 9 HOH 139 839 2214 HOH HOH B . V 9 HOH 140 840 2092 HOH HOH B . V 9 HOH 141 841 2191 HOH HOH B . V 9 HOH 142 842 2233 HOH HOH B . V 9 HOH 143 843 2271 HOH HOH B . V 9 HOH 144 844 2265 HOH HOH B . V 9 HOH 145 845 2215 HOH HOH B . V 9 HOH 146 846 2123 HOH HOH B . V 9 HOH 147 847 2060 HOH HOH B . V 9 HOH 148 848 2198 HOH HOH B . V 9 HOH 149 849 2196 HOH HOH B . V 9 HOH 150 850 2220 HOH HOH B . V 9 HOH 151 851 2098 HOH HOH B . V 9 HOH 152 852 2229 HOH HOH B . V 9 HOH 153 853 2272 HOH HOH B . V 9 HOH 154 854 2025 HOH HOH B . V 9 HOH 155 855 2267 HOH HOH B . V 9 HOH 156 856 2260 HOH HOH B . V 9 HOH 157 857 2243 HOH HOH B . V 9 HOH 158 858 2263 HOH HOH B . V 9 HOH 159 859 2086 HOH HOH B . V 9 HOH 160 860 2156 HOH HOH B . V 9 HOH 161 861 2012 HOH HOH B . V 9 HOH 162 862 2109 HOH HOH B . V 9 HOH 163 863 2097 HOH HOH B . V 9 HOH 164 864 2270 HOH HOH B . V 9 HOH 165 865 2057 HOH HOH B . V 9 HOH 166 866 2253 HOH HOH B . V 9 HOH 167 867 2205 HOH HOH B . V 9 HOH 168 868 2262 HOH HOH B . V 9 HOH 169 869 2082 HOH HOH B . V 9 HOH 170 870 2206 HOH HOH B . V 9 HOH 171 871 2023 HOH HOH B . V 9 HOH 172 872 2049 HOH HOH B . V 9 HOH 173 873 2240 HOH HOH B . V 9 HOH 174 874 2046 HOH HOH B . V 9 HOH 175 875 2232 HOH HOH B . V 9 HOH 176 876 2256 HOH HOH B . V 9 HOH 177 877 2021 HOH HOH B . V 9 HOH 178 878 2033 HOH HOH B . V 9 HOH 179 879 2190 HOH HOH B . V 9 HOH 180 880 2068 HOH HOH B . V 9 HOH 181 881 2259 HOH HOH B . V 9 HOH 182 882 2027 HOH HOH B . V 9 HOH 183 883 2155 HOH HOH B . V 9 HOH 184 884 2247 HOH HOH B . V 9 HOH 185 885 2113 HOH HOH B . V 9 HOH 186 886 2045 HOH HOH B . V 9 HOH 187 887 2193 HOH HOH B . V 9 HOH 188 888 2051 HOH HOH B . V 9 HOH 189 889 2162 HOH HOH B . V 9 HOH 190 890 2001 HOH HOH B . V 9 HOH 191 891 2167 HOH HOH B . V 9 HOH 192 892 2169 HOH HOH B . V 9 HOH 193 893 2006 HOH HOH B . V 9 HOH 194 894 2163 HOH HOH B . V 9 HOH 195 895 2062 HOH HOH B . V 9 HOH 196 896 2107 HOH HOH B . V 9 HOH 197 897 2224 HOH HOH B . V 9 HOH 198 898 2179 HOH HOH B . V 9 HOH 199 899 2210 HOH HOH B . V 9 HOH 200 900 2266 HOH HOH B . V 9 HOH 201 901 2255 HOH HOH B . V 9 HOH 202 902 2010 HOH HOH B . V 9 HOH 203 903 2248 HOH HOH B . V 9 HOH 204 904 2227 HOH HOH B . V 9 HOH 205 905 2189 HOH HOH B . V 9 HOH 206 906 2257 HOH HOH B . V 9 HOH 207 907 2182 HOH HOH B . V 9 HOH 208 908 2200 HOH HOH B . V 9 HOH 209 909 2217 HOH HOH B . V 9 HOH 210 910 2101 HOH HOH B . V 9 HOH 211 911 2091 HOH HOH B . V 9 HOH 212 912 2184 HOH HOH B . V 9 HOH 213 913 2143 HOH HOH B . V 9 HOH 214 914 2185 HOH HOH B . V 9 HOH 215 915 2085 HOH HOH B . V 9 HOH 216 916 2007 HOH HOH B . V 9 HOH 217 917 2274 HOH HOH B . V 9 HOH 218 918 2273 HOH HOH B . V 9 HOH 219 919 2031 HOH HOH B . V 9 HOH 220 920 2258 HOH HOH B . V 9 HOH 221 921 2230 HOH HOH B . V 9 HOH 222 922 2111 HOH HOH B . V 9 HOH 223 923 2173 HOH HOH B . V 9 HOH 224 924 2249 HOH HOH B . V 9 HOH 225 925 2165 HOH HOH B . V 9 HOH 226 926 2095 HOH HOH B . V 9 HOH 227 927 2252 HOH HOH B . V 9 HOH 228 928 2145 HOH HOH B . V 9 HOH 229 929 2268 HOH HOH B . V 9 HOH 230 930 2088 HOH HOH B . V 9 HOH 231 931 2030 HOH HOH B . V 9 HOH 232 932 2114 HOH HOH B . V 9 HOH 233 933 2147 HOH HOH B . V 9 HOH 234 934 2139 HOH HOH B . V 9 HOH 235 935 2074 HOH HOH B . V 9 HOH 236 936 2039 HOH HOH B . V 9 HOH 237 937 2069 HOH HOH B . V 9 HOH 238 938 2078 HOH HOH B . V 9 HOH 239 939 2090 HOH HOH B . V 9 HOH 240 940 2064 HOH HOH B . V 9 HOH 241 941 2129 HOH HOH B . V 9 HOH 242 942 2063 HOH HOH B . V 9 HOH 243 943 2075 HOH HOH B . V 9 HOH 244 944 2071 HOH HOH B . V 9 HOH 245 945 2072 HOH HOH B . V 9 HOH 246 946 2218 HOH HOH B . V 9 HOH 247 947 2128 HOH HOH B . V 9 HOH 248 948 2077 HOH HOH B . V 9 HOH 249 949 2104 HOH HOH B . V 9 HOH 250 950 2120 HOH HOH B . V 9 HOH 251 951 2137 HOH HOH B . V 9 HOH 252 952 2070 HOH HOH B . V 9 HOH 253 953 2076 HOH HOH B . V 9 HOH 254 954 2105 HOH HOH B . V 9 HOH 255 955 2093 HOH HOH B . V 9 HOH 256 956 2119 HOH HOH B . V 9 HOH 257 957 2209 HOH HOH B . V 9 HOH 258 958 2096 HOH HOH B . V 9 HOH 259 959 2150 HOH HOH B . V 9 HOH 260 960 2056 HOH HOH B . V 9 HOH 261 961 2058 HOH HOH B . V 9 HOH 262 962 2073 HOH HOH B . V 9 HOH 263 963 2059 HOH HOH B . V 9 HOH 264 964 2136 HOH HOH B . V 9 HOH 265 965 2117 HOH HOH B . V 9 HOH 266 966 2079 HOH HOH B . V 9 HOH 267 967 2106 HOH HOH B . V 9 HOH 268 968 2103 HOH HOH B . V 9 HOH 269 969 2102 HOH HOH B . V 9 HOH 270 970 2130 HOH HOH B . V 9 HOH 271 971 2138 HOH HOH B . V 9 HOH 272 972 2121 HOH HOH B . V 9 HOH 273 973 2071 HOH HOH B . V 9 HOH 274 974 2146 HOH HOH B . V 9 HOH 275 975 2037 HOH HOH B . V 9 HOH 276 976 2118 HOH HOH B . V 9 HOH 277 977 2116 HOH HOH B . V 9 HOH 278 978 2048 HOH HOH B . # 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 171 A ASN 394 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 171 B ASN 394 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 10680 ? 1 MORE -46.3 ? 1 'SSA (A^2)' 32440 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2010-11-03 2 'Structure model' 1 1 2011-05-12 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2017-07-12 # _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' 'Version format compliance' 3 4 'Structure model' 'Derived calculations' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 4 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category struct_conn # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 4 'Structure model' '_struct_conn.pdbx_dist_value' 2 4 'Structure model' '_struct_conn.pdbx_leaving_atom_flag' 3 4 'Structure model' '_struct_conn.ptnr1_auth_asym_id' 4 4 'Structure model' '_struct_conn.ptnr1_auth_comp_id' 5 4 'Structure model' '_struct_conn.ptnr1_auth_seq_id' 6 4 'Structure model' '_struct_conn.ptnr1_label_asym_id' 7 4 'Structure model' '_struct_conn.ptnr1_label_atom_id' 8 4 'Structure model' '_struct_conn.ptnr1_label_comp_id' 9 4 'Structure model' '_struct_conn.ptnr1_label_seq_id' 10 4 'Structure model' '_struct_conn.ptnr2_auth_asym_id' 11 4 'Structure model' '_struct_conn.ptnr2_auth_comp_id' 12 4 'Structure model' '_struct_conn.ptnr2_auth_seq_id' 13 4 'Structure model' '_struct_conn.ptnr2_label_asym_id' 14 4 'Structure model' '_struct_conn.ptnr2_label_comp_id' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined 18.4744 12.7994 58.0232 0.1472 0.1703 0.1502 -0.0331 -0.0342 0.0045 1.3070 0.5335 0.2957 -0.0314 0.1872 -0.0883 0.0515 -0.0677 -0.1903 0.0463 0.0119 0.0911 -0.0806 -0.0023 -0.0476 'X-RAY DIFFRACTION' 2 ? refined 21.8643 2.4825 64.4219 0.2477 0.1316 0.2264 -0.0187 -0.0107 0.0452 7.8348 5.1403 2.9164 -4.5421 1.9247 -0.3016 0.0651 -0.0272 -0.8108 0.2285 0.1587 0.8944 0.6299 -0.1743 -0.2474 'X-RAY DIFFRACTION' 3 ? refined 16.0889 19.3471 57.0255 0.1989 0.1548 0.1414 -0.0346 -0.0454 0.0252 -0.0767 0.1043 1.6830 0.0256 -0.1973 -0.0522 -0.0640 -0.0607 0.0369 0.0306 -0.0257 0.0199 -0.3359 -0.1153 0.0732 'X-RAY DIFFRACTION' 4 ? refined 23.3995 19.8904 42.6617 0.3081 0.2830 0.1151 0.0681 0.0080 0.0382 0.9260 1.0065 -3.1556 -0.3637 -1.0524 1.3056 0.3743 0.3064 0.0373 -0.4270 -0.2440 -0.0563 -0.0100 -0.2996 -0.0959 'X-RAY DIFFRACTION' 5 ? refined 35.8176 20.0936 28.8014 0.4637 0.1535 0.3481 -0.0285 0.1872 0.0011 0.7170 1.2754 1.7880 -0.3226 -0.1245 -0.5522 0.1215 0.1162 0.1270 0.1223 0.4210 -0.2462 -0.7867 0.0099 -0.4274 'X-RAY DIFFRACTION' 6 ? refined 34.3220 26.0486 29.9699 0.8912 0.0460 0.4107 -0.0946 0.3139 0.1923 0.8774 -3.3487 1.8464 0.0586 -0.5317 1.5858 0.7244 -0.2626 1.1274 -0.2371 0.6500 -0.5349 -1.5836 0.3039 -0.7208 'X-RAY DIFFRACTION' 7 ? refined 33.3516 19.2311 37.4877 0.4473 0.1837 0.2929 -0.0716 0.0705 -0.0282 2.6612 -0.5104 1.8217 -1.1381 0.4681 0.0787 0.2531 -0.3252 0.3751 -0.0750 0.1449 -0.3061 -0.4221 -0.0725 -0.3324 'X-RAY DIFFRACTION' 8 ? refined 38.0564 -1.4717 14.2062 0.1367 0.1231 0.1607 0.0130 0.0070 0.0238 2.5416 1.0874 0.7556 -0.5143 0.6682 0.4975 0.0621 0.1720 0.2958 -0.0196 -0.1744 -0.0610 0.1110 -0.0157 0.0880 'X-RAY DIFFRACTION' 9 ? refined 28.3043 0.1224 20.9583 0.1500 0.2482 0.1778 -0.0048 0.0138 -0.0630 0.7470 1.2237 6.4432 -1.2500 1.8252 2.0529 -0.1392 -0.2086 0.2795 0.2614 -0.1789 -0.0726 0.2339 -0.8827 0.3320 'X-RAY DIFFRACTION' 10 ? refined 44.3023 -3.6753 13.1468 0.1551 0.1783 0.1721 0.0413 0.0264 0.0721 1.6135 0.4443 2.1538 -0.4135 0.4447 0.0982 0.0453 0.3210 0.4111 0.0319 -0.2303 -0.2009 0.2376 0.1421 0.1082 'X-RAY DIFFRACTION' 11 ? refined 15.7763 6.9500 47.6463 0.2014 0.2956 0.1667 -0.0559 -0.0009 -0.0397 0.6461 1.4433 0.8713 0.8406 0.2777 0.6476 0.2609 -0.0595 -0.0376 0.2541 -0.3863 0.0652 -0.0160 -0.2900 0.1196 'X-RAY DIFFRACTION' 12 ? refined 13.7807 -5.1629 43.4467 0.4198 0.1568 0.3008 -0.1185 0.0151 -0.0314 2.3989 -1.2170 7.8314 -1.7782 -2.7717 1.0576 -0.0442 -0.0517 -0.6757 -0.2137 -0.4180 0.4129 0.4113 0.0847 0.4344 'X-RAY DIFFRACTION' 13 ? refined 14.7288 1.0972 43.0515 0.2555 0.2405 0.2447 -0.0142 -0.0177 -0.0605 1.0967 2.4230 0.5686 -0.3996 -0.0084 2.3930 0.0966 0.1958 -0.2959 -0.2861 -0.3903 0.1622 0.1621 0.0135 0.2070 'X-RAY DIFFRACTION' 14 ? refined 8.3343 9.8229 9.4154 0.0967 0.2844 0.2405 -0.0317 -0.0293 0.0296 0.4639 1.8528 0.9516 1.4530 0.4768 0.1701 0.0866 -0.4537 -0.2687 0.1471 -0.2705 -0.3898 -0.0168 0.2772 0.1243 'X-RAY DIFFRACTION' 15 ? refined -0.8602 16.9474 10.9702 0.1670 0.2950 0.1893 0.0143 -0.0303 -0.0151 2.5559 0.2311 0.1203 -0.3627 -0.8086 0.1892 0.0341 -0.5473 0.1643 0.0160 0.0932 -0.1129 0.0180 0.1391 -0.0936 'X-RAY DIFFRACTION' 16 ? refined -1.4885 12.2923 22.2988 0.2585 0.5690 0.1509 -0.0068 -0.0922 -0.0127 2.0408 0.1438 -4.0536 -0.2073 1.1532 0.5827 -0.1435 -0.7631 0.0392 0.1982 0.0719 -0.1034 0.2406 -1.1307 -0.0179 'X-RAY DIFFRACTION' 17 ? refined 3.1453 19.1562 6.8627 0.1410 0.2434 0.2138 -0.0057 0.0061 -0.0265 0.0770 1.0577 0.2850 -0.2930 0.0265 -0.1147 -0.0325 -0.1917 0.0608 -0.0368 -0.0628 -0.2429 -0.0785 0.0925 0.0710 'X-RAY DIFFRACTION' 18 ? refined 25.4597 -4.3654 8.9711 0.1592 0.2079 0.1588 0.0233 -0.0140 0.0402 0.6476 0.9276 0.3354 -0.1631 0.4240 -0.0220 0.0629 0.0188 0.0784 0.1434 0.0553 -0.0075 -0.0068 0.0220 -0.1006 'X-RAY DIFFRACTION' 19 ? refined 19.0121 -3.1319 11.1085 0.1899 0.1815 0.1345 0.0239 0.0113 0.0005 0.9006 0.2427 0.5792 -0.1466 0.9578 -0.4095 -0.0739 -0.1210 0.0940 -0.0193 -0.0246 0.0454 -0.2037 -0.0605 0.0766 'X-RAY DIFFRACTION' 20 ? refined 20.7205 -10.2020 8.0750 0.1625 0.1617 0.1656 0.0264 0.0060 0.0160 1.5554 0.1230 0.4885 0.2119 0.5694 -0.0147 0.1142 0.1399 -0.0944 -0.0079 0.0254 0.0409 0.0982 0.0297 -0.1060 'X-RAY DIFFRACTION' 21 ? refined 11.1966 12.9023 20.3834 0.3121 0.7185 0.2223 0.1289 -0.0283 0.0451 1.7416 -1.3501 -2.4645 -1.3539 -0.9547 3.2737 -0.3609 -1.1650 0.3304 0.2842 -0.2007 -0.2364 0.3548 -0.2100 0.3350 'X-RAY DIFFRACTION' 22 ? refined 25.6025 17.2651 22.2454 1.0952 0.7992 0.4931 -0.0479 0.1562 0.1006 3.8934 -1.2727 -4.7256 -1.1030 1.1296 4.2664 -0.1536 1.6913 -0.0799 -0.6566 -0.3702 -0.0034 -0.9018 -0.2485 0.2980 'X-RAY DIFFRACTION' 23 ? refined 23.1589 6.9698 31.4030 0.6777 0.6322 0.6871 0.0314 0.1964 -0.1314 0.7002 0.4074 0.0905 0.0258 0.1558 -0.2850 0.2641 -0.1398 -0.3010 0.2414 0.1400 0.0302 -0.0773 -0.3806 -0.2002 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 228:282)' 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 283:298)' 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 299:320)' 'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 321:344)' 'X-RAY DIFFRACTION' 5 5 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 345:374)' 'X-RAY DIFFRACTION' 6 6 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 375:401)' 'X-RAY DIFFRACTION' 7 7 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 402:439)' 'X-RAY DIFFRACTION' 8 8 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 440:492)' 'X-RAY DIFFRACTION' 9 9 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 493:510)' 'X-RAY DIFFRACTION' 10 10 ? ? ? ? ? ? ? ? ? '(CHAIN A AND RESID 511:547)' 'X-RAY DIFFRACTION' 11 11 ? ? ? ? ? ? ? ? ? '(CHAIN B AND RESID 228:253)' 'X-RAY DIFFRACTION' 12 12 ? ? ? ? ? ? ? ? ? '(CHAIN B AND RESID 254:278)' 'X-RAY DIFFRACTION' 13 13 ? ? ? ? ? ? ? ? ? '(CHAIN B AND RESID 279:335)' 'X-RAY DIFFRACTION' 14 14 ? ? ? ? ? ? ? ? ? '(CHAIN B AND RESID 336:353)' 'X-RAY DIFFRACTION' 15 15 ? ? ? ? ? ? ? ? ? '(CHAIN B AND RESID 354:385)' 'X-RAY DIFFRACTION' 16 16 ? ? ? ? ? ? ? ? ? '(CHAIN B AND RESID 386:401)' 'X-RAY DIFFRACTION' 17 17 ? ? ? ? ? ? ? ? ? '(CHAIN B AND RESID 402:437)' 'X-RAY DIFFRACTION' 18 18 ? ? ? ? ? ? ? ? ? '(CHAIN B AND RESID 438:478)' 'X-RAY DIFFRACTION' 19 19 ? ? ? ? ? ? ? ? ? '(CHAIN B AND RESID 479:503)' 'X-RAY DIFFRACTION' 20 20 ? ? ? ? ? ? ? ? ? '(CHAIN B AND RESID 504:548)' 'X-RAY DIFFRACTION' 21 21 ? ? ? ? ? ? ? ? ? '(CHAIN C)' 'X-RAY DIFFRACTION' 22 22 ? ? ? ? ? ? ? ? ? '(CHAIN D)' 'X-RAY DIFFRACTION' 23 23 ? ? ? ? ? ? ? ? ? '(CHAIN E)' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal PHENIX refinement '(PHENIX.REFINE)' ? 1 HKL-2000 'data reduction' '- DENZO' ? 2 HKL-2000 'data scaling' '- SCALEPACK' ? 3 MOLREP phasing . ? 4 # _pdbx_entry_details.entry_id 2WQR _pdbx_entry_details.compound_details ;ENGINEERED RESIDUE IN CHAIN A, ASN 146 TO GLN ENGINEERED RESIDUE IN CHAIN A, ASN 252 TO GLN ENGINEERED RESIDUE IN CHAIN B, ASN 146 TO GLN ENGINEERED RESIDUE IN CHAIN B, ASN 252 TO GLN ; _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ? # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 CB _pdbx_validate_rmsd_angle.auth_asym_id_1 B _pdbx_validate_rmsd_angle.auth_comp_id_1 VAL _pdbx_validate_rmsd_angle.auth_seq_id_1 370 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 CA _pdbx_validate_rmsd_angle.auth_asym_id_2 B _pdbx_validate_rmsd_angle.auth_comp_id_2 VAL _pdbx_validate_rmsd_angle.auth_seq_id_2 370 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 C _pdbx_validate_rmsd_angle.auth_asym_id_3 B _pdbx_validate_rmsd_angle.auth_comp_id_3 VAL _pdbx_validate_rmsd_angle.auth_seq_id_3 370 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 99.38 _pdbx_validate_rmsd_angle.angle_target_value 111.40 _pdbx_validate_rmsd_angle.angle_deviation -12.02 _pdbx_validate_rmsd_angle.angle_standard_deviation 1.90 _pdbx_validate_rmsd_angle.linker_flag N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASP A 362 ? ? 74.67 30.90 2 1 PRO A 365 ? ? -74.01 25.18 3 1 LYS A 367 ? ? -68.02 -179.03 4 1 GLN B 317 ? ? 30.39 59.49 5 1 PRO B 365 ? ? -54.21 174.76 6 1 LYS B 367 ? ? -103.62 -112.29 7 1 THR B 369 ? ? -155.08 -11.16 8 1 VAL B 370 ? ? 60.06 65.26 9 1 LYS B 519 ? ? -162.38 116.53 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A CYS 225 ? A CYS 1 2 1 Y 1 A SER 226 ? A SER 2 3 1 Y 1 A ARG 227 ? A ARG 3 4 1 Y 1 A GLY 546 ? A GLY 323 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-D-MANNOSE BMA 4 ALPHA-D-MANNOSE MAN 5 'SULFATE ION' SO4 6 GLYCEROL GOL 7 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL TRS 8 'TETRAETHYLENE GLYCOL' PG4 9 water HOH #