data_4KMZ # _entry.id 4KMZ # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4KMZ RCSB RCSB079540 WWPDB D_1000079540 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 4KM6 'Human folate receptor alpha (FOLR1) at acidic pH, orthorhombic form' unspecified PDB 4KM7 'Human folate receptor alpha (FOLR1) at acidic pH, triclinic form' unspecified PDB 4KMX 'Human folate receptor alpha (FOLR1) at acidic pH' unspecified PDB 4KMY 'Human folate receptor beta (FOLR2) at neutral pH' unspecified PDB 4KN0 'Human folate receptor beta (FOLR2) in complex with the antifolate methotrexate' unspecified PDB 4KN1 'Human folate receptor beta (FOLR2) in complex with the antifolate aminopterin' unspecified PDB 4KN2 'Human folate receptor beta (FOLR2) in complex with antifolate pemetrexed' unspecified # _pdbx_database_status.entry_id 4KMZ _pdbx_database_status.status_code REL _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2013-05-08 _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Wibowo, A.S.' 1 'Dann III, C.E.' 2 # _citation.id primary _citation.title 'Structures of human folate receptors reveal biological trafficking states and diversity in folate and antifolate recognition.' _citation.journal_abbrev Proc.Natl.Acad.Sci.USA _citation.journal_volume 110 _citation.page_first 15180 _citation.page_last 15188 _citation.year 2013 _citation.journal_id_ASTM PNASA6 _citation.country US _citation.journal_id_ISSN 0027-8424 _citation.journal_id_CSD 0040 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23934049 _citation.pdbx_database_id_DOI 10.1073/pnas.1308827110 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Wibowo, A.S.' 1 primary 'Singh, M.' 2 primary 'Reeder, K.M.' 3 primary 'Carter, J.J.' 4 primary 'Kovach, A.R.' 5 primary 'Meng, W.' 6 primary 'Ratnam, M.' 7 primary 'Zhang, F.' 8 primary 'Dann, C.E.' 9 # _cell.entry_id 4KMZ _cell.length_a 96.861 _cell.length_b 96.861 _cell.length_c 98.337 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 12 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 4KMZ _symmetry.space_group_name_H-M 'P 61 2 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 178 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Folate receptor beta' 24021.988 1 ? ? 'UNP residues 24-228' ? 2 non-polymer syn 'FOLIC ACID' 441.397 1 ? ? ? ? 3 non-polymer syn 'POTASSIUM ION' 39.098 1 ? ? ? ? 4 non-polymer syn 'CHLORIDE ION' 35.453 1 ? ? ? ? 5 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 6 water nat water 18.015 50 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'FR-beta, Folate receptor 2, Folate receptor, fetal/placental, Placental folate-binding protein, FBP' # _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 ;GSRTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLY ECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAA LCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAAMH ; _entity_poly.pdbx_seq_one_letter_code_can ;GSRTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLY ECSPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAA LCEGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAAMH ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLY n 1 2 SER n 1 3 ARG n 1 4 THR n 1 5 ASP n 1 6 LEU n 1 7 LEU n 1 8 ASN n 1 9 VAL n 1 10 CYS n 1 11 MET n 1 12 ASP n 1 13 ALA n 1 14 LYS n 1 15 HIS n 1 16 HIS n 1 17 LYS n 1 18 THR n 1 19 LYS n 1 20 PRO n 1 21 GLY n 1 22 PRO n 1 23 GLU n 1 24 ASP n 1 25 LYS n 1 26 LEU n 1 27 HIS n 1 28 ASP n 1 29 GLN n 1 30 CYS n 1 31 SER n 1 32 PRO n 1 33 TRP n 1 34 LYS n 1 35 LYS n 1 36 ASN n 1 37 ALA n 1 38 CYS n 1 39 CYS n 1 40 THR n 1 41 ALA n 1 42 SER n 1 43 THR n 1 44 SER n 1 45 GLN n 1 46 GLU n 1 47 LEU n 1 48 HIS n 1 49 LYS n 1 50 ASP n 1 51 THR n 1 52 SER n 1 53 ARG n 1 54 LEU n 1 55 TYR n 1 56 ASN n 1 57 PHE n 1 58 ASN n 1 59 TRP n 1 60 ASP n 1 61 HIS n 1 62 CYS n 1 63 GLY n 1 64 LYS n 1 65 MET n 1 66 GLU n 1 67 PRO n 1 68 ALA n 1 69 CYS n 1 70 LYS n 1 71 ARG n 1 72 HIS n 1 73 PHE n 1 74 ILE n 1 75 GLN n 1 76 ASP n 1 77 THR n 1 78 CYS n 1 79 LEU n 1 80 TYR n 1 81 GLU n 1 82 CYS n 1 83 SER n 1 84 PRO n 1 85 ASN n 1 86 LEU n 1 87 GLY n 1 88 PRO n 1 89 TRP n 1 90 ILE n 1 91 GLN n 1 92 GLN n 1 93 VAL n 1 94 ASN n 1 95 GLN n 1 96 SER n 1 97 TRP n 1 98 ARG n 1 99 LYS n 1 100 GLU n 1 101 ARG n 1 102 PHE n 1 103 LEU n 1 104 ASP n 1 105 VAL n 1 106 PRO n 1 107 LEU n 1 108 CYS n 1 109 LYS n 1 110 GLU n 1 111 ASP n 1 112 CYS n 1 113 GLN n 1 114 ARG n 1 115 TRP n 1 116 TRP n 1 117 GLU n 1 118 ASP n 1 119 CYS n 1 120 HIS n 1 121 THR n 1 122 SER n 1 123 HIS n 1 124 THR n 1 125 CYS n 1 126 LYS n 1 127 SER n 1 128 ASN n 1 129 TRP n 1 130 HIS n 1 131 ARG n 1 132 GLY n 1 133 TRP n 1 134 ASP n 1 135 TRP n 1 136 THR n 1 137 SER n 1 138 GLY n 1 139 VAL n 1 140 ASN n 1 141 LYS n 1 142 CYS n 1 143 PRO n 1 144 ALA n 1 145 GLY n 1 146 ALA n 1 147 LEU n 1 148 CYS n 1 149 ARG n 1 150 THR n 1 151 PHE n 1 152 GLU n 1 153 SER n 1 154 TYR n 1 155 PHE n 1 156 PRO n 1 157 THR n 1 158 PRO n 1 159 ALA n 1 160 ALA n 1 161 LEU n 1 162 CYS n 1 163 GLU n 1 164 GLY n 1 165 LEU n 1 166 TRP n 1 167 SER n 1 168 HIS n 1 169 SER n 1 170 TYR n 1 171 LYS n 1 172 VAL n 1 173 SER n 1 174 ASN n 1 175 TYR n 1 176 SER n 1 177 ARG n 1 178 GLY n 1 179 SER n 1 180 GLY n 1 181 ARG n 1 182 CYS n 1 183 ILE n 1 184 GLN n 1 185 MET n 1 186 TRP n 1 187 PHE n 1 188 ASP n 1 189 SER n 1 190 ALA n 1 191 GLN n 1 192 GLY n 1 193 ASN n 1 194 PRO n 1 195 ASN n 1 196 GLU n 1 197 GLU n 1 198 VAL n 1 199 ALA n 1 200 ARG n 1 201 PHE n 1 202 TYR n 1 203 ALA n 1 204 ALA n 1 205 ALA n 1 206 MET n 1 207 HIS 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 FOLR2 _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 'Chinese hamster' _entity_src_gen.pdbx_host_org_scientific_name 'Cricetulus griseus' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 10029 _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 CHO _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 plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pSGHV0 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code FOLR2_HUMAN _struct_ref.pdbx_db_accession P14207 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;RTDLLNVCMDAKHHKTKPGPEDKLHDQCSPWKKNACCTASTSQELHKDTSRLYNFNWDHCGKMEPACKRHFIQDTCLYEC SPNLGPWIQQVNQSWRKERFLDVPLCKEDCQRWWEDCHTSHTCKSNWHRGWDWTSGVNKCPAGALCRTFESYFPTPAALC EGLWSHSYKVSNYSRGSGRCIQMWFDSAQGNPNEEVARFYAAAMH ; _struct_ref.pdbx_align_begin 24 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4KMZ _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 3 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 207 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P14207 _struct_ref_seq.db_align_beg 24 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 228 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 24 _struct_ref_seq.pdbx_auth_seq_align_end 228 # 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 4KMZ GLY A 1 ? UNP P14207 ? ? 'EXPRESSION TAG' 22 1 1 4KMZ SER A 2 ? UNP P14207 ? ? 'EXPRESSION TAG' 23 2 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FOL non-polymer . 'FOLIC ACID' ? 'C19 H19 N7 O6' 441.397 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 K non-polymer . 'POTASSIUM ION' ? 'K 1' 39.098 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.crystals_number 1 _exptl.entry_id 4KMZ _exptl.method 'X-RAY DIFFRACTION' # _exptl_crystal.id 1 _exptl_crystal.density_Matthews 2.80 _exptl_crystal.density_meas ? _exptl_crystal.density_percent_sol 56.10 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.pH 8.0 _exptl_crystal_grow.temp 293 _exptl_crystal_grow.pdbx_details '2.4 M Ammonium phosphate diabasic, 0.1 M Hepes pH 7.5, Vapor diffusion, sitting drop, temperature 293K' _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type NOIR-1 _diffrn_detector.pdbx_collection_date 2010-07-24 _diffrn_detector.details 'The NOIR-1 detector was built by E. Westbrook; 180 cm lens focused CCD' # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.monochromator 'SAGITALLY FOCUSED Si(111)' _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.0000 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ALS BEAMLINE 4.2.2' _diffrn_source.pdbx_wavelength_list 1.0000 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_site ALS _diffrn_source.pdbx_synchrotron_beamline 4.2.2 # _reflns.entry_id 4KMZ _reflns.d_resolution_high 2.300 _reflns.d_resolution_low 50.000 _reflns.number_obs 12052 _reflns.pdbx_Rmerge_I_obs 0.089 _reflns.pdbx_netI_over_sigmaI 7.900 _reflns.pdbx_chi_squared 0.868 _reflns.pdbx_redundancy 11.100 _reflns.percent_possible_obs 95.200 _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.number_all ? _reflns.pdbx_Rsym_value ? _reflns.B_iso_Wilson_estimate ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.number_measured_obs _reflns_shell.number_measured_all _reflns_shell.number_unique_obs _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_obs _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_redundancy _reflns_shell.percent_possible_obs _reflns_shell.number_unique_all _reflns_shell.percent_possible_all _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id 2.300 2.340 ? ? ? 0.489 ? ? 0.576 8.600 ? 523 85.500 1 1 2.340 2.380 ? ? ? 0.424 ? ? 0.556 9.300 ? 524 87.000 2 1 2.380 2.430 ? ? ? 0.500 ? ? 0.489 9.600 ? 553 88.200 3 1 2.430 2.480 ? ? ? 0.445 ? ? 0.562 10.200 ? 533 87.400 4 1 2.480 2.530 ? ? ? 0.353 ? ? 0.484 10.200 ? 554 90.100 5 1 2.530 2.590 ? ? ? 0.351 ? ? 0.509 10.600 ? 569 92.200 6 1 2.590 2.660 ? ? ? 0.298 ? ? 0.584 10.900 ? 587 94.400 7 1 2.660 2.730 ? ? ? 0.271 ? ? 1.167 11.200 ? 600 97.700 8 1 2.730 2.810 ? ? ? 0.257 ? ? 0.504 11.700 ? 610 97.900 9 1 2.810 2.900 ? ? ? 0.187 ? ? 0.509 11.900 ? 613 98.200 10 1 2.900 3.000 ? ? ? 0.169 ? ? 0.577 12.000 ? 621 99.400 11 1 3.000 3.120 ? ? ? 0.138 ? ? 0.576 12.000 ? 625 99.400 12 1 3.120 3.260 ? ? ? 0.110 ? ? 0.743 11.900 ? 622 99.400 13 1 3.260 3.440 ? ? ? 0.099 ? ? 1.079 12.000 ? 620 98.700 14 1 3.440 3.650 ? ? ? 0.090 ? ? 1.318 11.900 ? 627 98.700 15 1 3.650 3.930 ? ? ? 0.083 ? ? 1.946 11.900 ? 632 98.900 16 1 3.930 4.330 ? ? ? 0.044 ? ? 1.154 11.800 ? 632 98.400 17 1 4.330 4.950 ? ? ? 0.046 ? ? 1.005 11.700 ? 647 98.200 18 1 4.950 6.240 ? ? ? 0.045 ? ? 1.340 11.600 ? 652 97.600 19 1 6.240 50.000 ? ? ? 0.034 ? ? 1.021 10.600 ? 708 95.500 20 1 # _refine.entry_id 4KMZ _refine.ls_d_res_high 2.3000 _refine.ls_d_res_low 48.4300 _refine.pdbx_ls_sigma_F 1.330 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_percent_reflns_obs 95.2900 _refine.ls_number_reflns_obs 12030 _refine.ls_number_reflns_all ? _refine.pdbx_ls_cross_valid_method ? _refine.pdbx_R_Free_selection_details ? _refine.details ? _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.2108 _refine.ls_R_factor_R_work 0.2053 _refine.ls_wR_factor_R_work ? _refine.ls_R_factor_R_free 0.2600 _refine.ls_wR_factor_R_free ? _refine.ls_percent_reflns_R_free 10.0000 _refine.ls_number_reflns_R_free 1203 _refine.ls_R_factor_R_free_error ? _refine.B_iso_mean 42.7840 _refine.solvent_model_param_bsol 32.8320 _refine.solvent_model_param_ksol 0.3690 _refine.pdbx_isotropic_thermal_model ? _refine.aniso_B[1][1] -11.0032 _refine.aniso_B[2][2] -11.0032 _refine.aniso_B[3][3] 22.0063 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][3] 0.0000 _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.6500 _refine.overall_SU_B ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.pdbx_solvent_vdw_probe_radii 1.0000 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.7200 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.pdbx_starting_model 'PDB ENTRY 4KMX' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.overall_FOM_work_R_set 0.7690 _refine.B_iso_max 145.370 _refine.B_iso_min 25.540 _refine.pdbx_overall_phase_error 28.3100 _refine.occupancy_max 1.000 _refine.occupancy_min 1.000 _refine.pdbx_ls_sigma_I ? _refine.ls_redundancy_reflns_obs ? _refine.ls_R_factor_R_free_error_details ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.overall_FOM_free_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1630 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 62 _refine_hist.number_atoms_solvent 50 _refine_hist.number_atoms_total 1742 _refine_hist.d_res_high 2.3000 _refine_hist.d_res_low 48.4300 # loop_ _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function _refine_ls_restr.pdbx_refine_id f_bond_d 1757 0.006 ? ? ? 'X-RAY DIFFRACTION' f_angle_d 2377 0.930 ? ? ? 'X-RAY DIFFRACTION' f_chiral_restr 234 0.070 ? ? ? 'X-RAY DIFFRACTION' f_plane_restr 306 0.004 ? ? ? 'X-RAY DIFFRACTION' f_dihedral_angle_d 622 15.153 ? ? ? 'X-RAY DIFFRACTION' # loop_ _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.percent_reflns_obs _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_R_work _refine_ls_shell.R_factor_R_free _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.pdbx_refine_id 2.300 2.3917 9 86.0000 1053 . 0.2839 0.3638 . 117 . 1170 . . 'X-RAY DIFFRACTION' 2.3917 2.5006 9 88.0000 1085 . 0.2978 0.3426 . 120 . 1205 . . 'X-RAY DIFFRACTION' 2.5006 2.6324 9 93.0000 1139 . 0.2608 0.3654 . 126 . 1265 . . 'X-RAY DIFFRACTION' 2.6324 2.7973 9 97.0000 1203 . 0.2530 0.3816 . 134 . 1337 . . 'X-RAY DIFFRACTION' 2.7973 3.0133 9 99.0000 1236 . 0.2253 0.2982 . 138 . 1374 . . 'X-RAY DIFFRACTION' 3.0133 3.3164 9 99.0000 1234 . 0.2132 0.2929 . 137 . 1371 . . 'X-RAY DIFFRACTION' 3.3164 3.7962 9 99.0000 1250 . 0.1982 0.2463 . 138 . 1388 . . 'X-RAY DIFFRACTION' 3.7962 4.7821 9 98.0000 1272 . 0.1487 0.1983 . 142 . 1414 . . 'X-RAY DIFFRACTION' 4.7821 48.4412 9 98.0000 1355 . 0.1995 0.2185 . 151 . 1506 . . 'X-RAY DIFFRACTION' # _struct.entry_id 4KMZ _struct.title 'Human folate receptor beta (FOLR2) in complex with the folate' _struct.pdbx_descriptor 'Folate receptor beta' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4KMZ _struct_keywords.text ;Folate Receptor Beta, FOLR2, folate receptor, Folic acid, folates, 5-methyltetrahydrofolate, antifolates, folate-conjugates, GPI-anchored protein on eukaryotic membrane, TRANSPORT PROTEIN, MEMBRANE PROTEIN ; _struct_keywords.pdbx_keywords 'MEMBRANE PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 5 ? F N N 5 ? G N N 6 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 HIS A 27 ? LYS A 34 ? HIS A 48 LYS A 55 5 ? 8 HELX_P HELX_P2 2 THR A 40 ? LEU A 47 ? THR A 61 LEU A 68 1 ? 8 HELX_P HELX_P3 3 GLU A 66 ? SER A 83 ? GLU A 87 SER A 104 1 ? 18 HELX_P HELX_P4 4 LEU A 86 ? PRO A 88 ? LEU A 107 PRO A 109 5 ? 3 HELX_P HELX_P5 5 LYS A 109 ? CYS A 119 ? LYS A 130 CYS A 140 1 ? 11 HELX_P HELX_P6 6 PHE A 151 ? PHE A 155 ? PHE A 172 PHE A 176 1 ? 5 HELX_P HELX_P7 7 THR A 157 ? LEU A 165 ? THR A 178 LEU A 186 1 ? 9 HELX_P HELX_P8 8 PRO A 194 ? MET A 206 ? PRO A 215 MET A 227 1 ? 13 # _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 10 SG ? ? ? 1_555 A CYS 38 SG ? ? A CYS 31 A CYS 59 1_555 ? ? ? ? ? ? ? 2.043 ? disulf2 disulf ? ? A CYS 30 SG ? ? ? 1_555 A CYS 78 SG ? ? A CYS 51 A CYS 99 1_555 ? ? ? ? ? ? ? 2.047 ? disulf3 disulf ? ? A CYS 39 SG ? ? ? 1_555 A CYS 82 SG ? ? A CYS 60 A CYS 103 1_555 ? ? ? ? ? ? ? 2.045 ? disulf4 disulf ? ? A CYS 62 SG ? ? ? 1_555 A CYS 148 SG ? ? A CYS 83 A CYS 169 1_555 ? ? ? ? ? ? ? 2.031 ? disulf5 disulf ? ? A CYS 69 SG ? ? ? 1_555 A CYS 119 SG ? ? A CYS 90 A CYS 140 1_555 ? ? ? ? ? ? ? 2.033 ? disulf6 disulf ? ? A CYS 108 SG ? ? ? 1_555 A CYS 182 SG ? ? A CYS 129 A CYS 203 1_555 ? ? ? ? ? ? ? 2.030 ? disulf7 disulf ? ? A CYS 112 SG ? ? ? 1_555 A CYS 162 SG ? ? A CYS 133 A CYS 183 1_555 ? ? ? ? ? ? ? 2.027 ? disulf8 disulf ? ? A CYS 125 SG ? ? ? 1_555 A CYS 142 SG ? ? A CYS 146 A CYS 163 1_555 ? ? ? ? ? ? ? 2.038 ? covale1 covale ? ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 304 A NAG 305 1_555 ? ? ? ? ? ? ? 1.432 ? covale2 covale ? ? A ASN 174 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 195 A NAG 304 1_555 ? ? ? ? ? ? ? 1.445 ? metalc1 metalc ? ? A SER 83 OG ? ? ? 1_555 C K . K ? ? A SER 104 A K 302 1_555 ? ? ? ? ? ? ? 3.253 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 2 ? C ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel B 1 2 ? parallel C 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 ILE A 90 ? GLN A 95 ? ILE A 111 GLN A 116 A 2 ARG A 98 ? PHE A 102 ? ARG A 119 PHE A 123 B 1 VAL A 105 ? CYS A 108 ? VAL A 126 CYS A 129 B 2 TYR A 170 ? SER A 173 ? TYR A 191 SER A 194 C 1 HIS A 123 ? THR A 124 ? HIS A 144 THR A 145 C 2 ARG A 149 ? THR A 150 ? ARG A 170 THR A 171 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N GLN A 91 ? N GLN A 112 O ARG A 101 ? O ARG A 122 B 1 2 N LEU A 107 ? N LEU A 128 O SER A 173 ? O SER A 194 C 1 2 N THR A 124 ? N THR A 145 O ARG A 149 ? O ARG A 170 # 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 ? ? ? ? 17 'BINDING SITE FOR RESIDUE FOL A 301' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE K A 302' AC3 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE CL A 303' AC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 304' AC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 305' # 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 17 TYR A 55 ? TYR A 76 . ? 1_555 ? 2 AC1 17 ASP A 76 ? ASP A 97 . ? 1_555 ? 3 AC1 17 TYR A 80 ? TYR A 101 . ? 1_555 ? 4 AC1 17 SER A 96 ? SER A 117 . ? 1_555 ? 5 AC1 17 TRP A 97 ? TRP A 118 . ? 1_555 ? 6 AC1 17 ARG A 98 ? ARG A 119 . ? 1_555 ? 7 AC1 17 TRP A 129 ? TRP A 150 . ? 1_555 ? 8 AC1 17 HIS A 130 ? HIS A 151 . ? 1_555 ? 9 AC1 17 ARG A 131 ? ARG A 152 . ? 1_555 ? 10 AC1 17 GLY A 132 ? GLY A 153 . ? 1_555 ? 11 AC1 17 TRP A 133 ? TRP A 154 . ? 1_555 ? 12 AC1 17 TRP A 135 ? TRP A 156 . ? 1_555 ? 13 AC1 17 TRP A 166 ? TRP A 187 . ? 1_555 ? 14 AC1 17 SER A 169 ? SER A 190 . ? 1_555 ? 15 AC1 17 TYR A 170 ? TYR A 191 . ? 1_555 ? 16 AC1 17 HOH G . ? HOH A 403 . ? 1_555 ? 17 AC1 17 HOH G . ? HOH A 436 . ? 1_555 ? 18 AC2 4 TRP A 33 ? TRP A 54 . ? 1_555 ? 19 AC2 4 SER A 83 ? SER A 104 . ? 1_555 ? 20 AC2 4 ASN A 193 ? ASN A 214 . ? 1_555 ? 21 AC2 4 ASN A 195 ? ASN A 216 . ? 1_555 ? 22 AC3 1 ARG A 114 ? ARG A 135 . ? 1_555 ? 23 AC4 6 LYS A 109 ? LYS A 130 . ? 1_555 ? 24 AC4 6 THR A 157 ? THR A 178 . ? 7_556 ? 25 AC4 6 PRO A 158 ? PRO A 179 . ? 7_556 ? 26 AC4 6 ALA A 159 ? ALA A 180 . ? 7_556 ? 27 AC4 6 ASN A 174 ? ASN A 195 . ? 1_555 ? 28 AC4 6 NAG F . ? NAG A 305 . ? 1_555 ? 29 AC5 4 GLN A 113 ? GLN A 134 . ? 7_556 ? 30 AC5 4 TRP A 116 ? TRP A 137 . ? 7_556 ? 31 AC5 4 PRO A 158 ? PRO A 179 . ? 7_556 ? 32 AC5 4 NAG E . ? NAG A 304 . ? 1_555 ? # _atom_sites.entry_id 4KMZ _atom_sites.fract_transf_matrix[1][1] 0.010324 _atom_sites.fract_transf_matrix[1][2] 0.005961 _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] 0.011921 _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] 0.010169 _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 CL K 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 . THR A 1 4 ? 38.062 37.503 73.784 1.00 80.27 ? 25 THR A N 1 ATOM 2 C CA . THR A 1 4 ? 39.142 37.027 72.916 1.00 81.60 ? 25 THR A CA 1 ATOM 3 C C . THR A 1 4 ? 38.614 36.387 71.632 1.00 77.01 ? 25 THR A C 1 ATOM 4 O O . THR A 1 4 ? 39.380 36.122 70.701 1.00 77.26 ? 25 THR A O 1 ATOM 5 C CB . THR A 1 4 ? 40.075 36.024 73.640 1.00 86.19 ? 25 THR A CB 1 ATOM 6 O OG1 . THR A 1 4 ? 39.293 34.990 74.252 1.00 89.02 ? 25 THR A OG1 1 ATOM 7 C CG2 . THR A 1 4 ? 40.902 36.726 74.703 1.00 85.94 ? 25 THR A CG2 1 ATOM 8 N N . ASP A 1 5 ? 37.309 36.134 71.591 1.00 70.46 ? 26 ASP A N 1 ATOM 9 C CA . ASP A 1 5 ? 36.677 35.544 70.416 1.00 65.06 ? 26 ASP A CA 1 ATOM 10 C C . ASP A 1 5 ? 36.662 36.506 69.242 1.00 56.96 ? 26 ASP A C 1 ATOM 11 O O . ASP A 1 5 ? 36.479 36.100 68.089 1.00 53.14 ? 26 ASP A O 1 ATOM 12 C CB . ASP A 1 5 ? 35.254 35.100 70.747 1.00 68.11 ? 26 ASP A CB 1 ATOM 13 C CG . ASP A 1 5 ? 35.226 33.922 71.687 1.00 73.70 ? 26 ASP A CG 1 ATOM 14 O OD1 . ASP A 1 5 ? 36.113 33.048 71.568 1.00 75.38 ? 26 ASP A OD1 1 ATOM 15 O OD2 . ASP A 1 5 ? 34.325 33.874 72.551 1.00 76.81 ? 26 ASP A OD2 1 ATOM 16 N N . LEU A 1 6 ? 36.862 37.784 69.547 1.00 51.36 ? 27 LEU A N 1 ATOM 17 C CA . LEU A 1 6 ? 36.901 38.814 68.523 1.00 49.45 ? 27 LEU A CA 1 ATOM 18 C C . LEU A 1 6 ? 38.328 39.048 68.007 1.00 46.93 ? 27 LEU A C 1 ATOM 19 O O . LEU A 1 6 ? 38.549 39.894 67.142 1.00 48.98 ? 27 LEU A O 1 ATOM 20 C CB . LEU A 1 6 ? 36.310 40.115 69.068 1.00 48.76 ? 27 LEU A CB 1 ATOM 21 C CG . LEU A 1 6 ? 34.925 39.992 69.706 1.00 50.07 ? 27 LEU A CG 1 ATOM 22 C CD1 . LEU A 1 6 ? 34.629 41.181 70.611 1.00 51.36 ? 27 LEU A CD1 1 ATOM 23 C CD2 . LEU A 1 6 ? 33.842 39.848 68.641 1.00 50.01 ? 27 LEU A CD2 1 ATOM 24 N N . LEU A 1 7 ? 39.295 38.300 68.529 1.00 44.13 ? 28 LEU A N 1 ATOM 25 C CA . LEU A 1 7 ? 40.686 38.500 68.129 1.00 43.50 ? 28 LEU A CA 1 ATOM 26 C C . LEU A 1 7 ? 41.122 37.492 67.063 1.00 44.25 ? 28 LEU A C 1 ATOM 27 O O . LEU A 1 7 ? 40.702 36.331 67.098 1.00 45.86 ? 28 LEU A O 1 ATOM 28 C CB . LEU A 1 7 ? 41.601 38.392 69.344 1.00 45.88 ? 28 LEU A CB 1 ATOM 29 C CG . LEU A 1 7 ? 41.298 39.284 70.549 1.00 47.41 ? 28 LEU A CG 1 ATOM 30 C CD1 . LEU A 1 7 ? 42.250 38.947 71.685 1.00 49.72 ? 28 LEU A CD1 1 ATOM 31 C CD2 . LEU A 1 7 ? 41.410 40.767 70.189 1.00 45.60 ? 28 LEU A CD2 1 ATOM 32 N N . ASN A 1 8 ? 41.951 37.935 66.115 1.00 40.12 ? 29 ASN A N 1 ATOM 33 C CA . ASN A 1 8 ? 42.484 37.045 65.079 1.00 40.46 ? 29 ASN A CA 1 ATOM 34 C C . ASN A 1 8 ? 41.391 36.304 64.297 1.00 45.12 ? 29 ASN A C 1 ATOM 35 O O . ASN A 1 8 ? 41.405 35.072 64.221 1.00 48.05 ? 29 ASN A O 1 ATOM 36 C CB . ASN A 1 8 ? 43.441 36.020 65.701 1.00 39.95 ? 29 ASN A CB 1 ATOM 37 C CG . ASN A 1 8 ? 44.527 35.570 64.737 1.00 42.32 ? 29 ASN A CG 1 ATOM 38 O OD1 . ASN A 1 8 ? 44.946 36.327 63.853 1.00 40.60 ? 29 ASN A OD1 1 ATOM 39 N ND2 . ASN A 1 8 ? 44.994 34.333 64.904 1.00 44.12 ? 29 ASN A ND2 1 ATOM 40 N N . VAL A 1 9 ? 40.450 37.046 63.717 1.00 40.67 ? 30 VAL A N 1 ATOM 41 C CA . VAL A 1 9 ? 39.423 36.425 62.886 1.00 41.54 ? 30 VAL A CA 1 ATOM 42 C C . VAL A 1 9 ? 39.312 37.053 61.499 1.00 41.61 ? 30 VAL A C 1 ATOM 43 O O . VAL A 1 9 ? 39.837 38.138 61.241 1.00 37.98 ? 30 VAL A O 1 ATOM 44 C CB . VAL A 1 9 ? 38.030 36.412 63.564 1.00 44.20 ? 30 VAL A CB 1 ATOM 45 C CG1 . VAL A 1 9 ? 38.083 35.645 64.878 1.00 47.09 ? 30 VAL A CG1 1 ATOM 46 C CG2 . VAL A 1 9 ? 37.520 37.829 63.787 1.00 43.16 ? 30 VAL A CG2 1 ATOM 47 N N . CYS A 1 10 ? 38.642 36.341 60.600 1.00 42.57 ? 31 CYS A N 1 ATOM 48 C CA . CYS A 1 10 ? 38.321 36.863 59.278 1.00 44.26 ? 31 CYS A CA 1 ATOM 49 C C . CYS A 1 10 ? 36.817 36.865 59.166 1.00 46.75 ? 31 CYS A C 1 ATOM 50 O O . CYS A 1 10 ? 36.177 35.850 59.446 1.00 49.70 ? 31 CYS A O 1 ATOM 51 C CB . CYS A 1 10 ? 38.907 35.981 58.176 1.00 46.07 ? 31 CYS A CB 1 ATOM 52 S SG . CYS A 1 10 ? 40.693 35.763 58.251 1.00 44.39 ? 31 CYS A SG 1 ATOM 53 N N . MET A 1 11 ? 36.238 37.993 58.768 1.00 46.05 ? 32 MET A N 1 ATOM 54 C CA . MET A 1 11 ? 34.783 38.047 58.620 1.00 46.96 ? 32 MET A CA 1 ATOM 55 C C . MET A 1 11 ? 34.323 37.224 57.411 1.00 45.14 ? 32 MET A C 1 ATOM 56 O O . MET A 1 11 ? 35.102 36.958 56.485 1.00 45.31 ? 32 MET A O 1 ATOM 57 C CB . MET A 1 11 ? 34.288 39.491 58.518 1.00 41.60 ? 32 MET A CB 1 ATOM 58 C CG . MET A 1 11 ? 34.631 40.170 57.218 1.00 40.50 ? 32 MET A CG 1 ATOM 59 S SD . MET A 1 11 ? 34.537 41.971 57.344 1.00 48.88 ? 32 MET A SD 1 ATOM 60 C CE . MET A 1 11 ? 34.894 42.404 55.644 1.00 30.57 ? 32 MET A CE 1 ATOM 61 N N . ASP A 1 12 ? 33.061 36.818 57.434 1.00 41.05 ? 33 ASP A N 1 ATOM 62 C CA . ASP A 1 12 ? 32.480 36.048 56.342 1.00 44.64 ? 33 ASP A CA 1 ATOM 63 C C . ASP A 1 12 ? 32.061 36.984 55.191 1.00 44.58 ? 33 ASP A C 1 ATOM 64 O O . ASP A 1 12 ? 30.911 37.444 55.131 1.00 45.13 ? 33 ASP A O 1 ATOM 65 C CB . ASP A 1 12 ? 31.284 35.237 56.874 1.00 45.47 ? 33 ASP A CB 1 ATOM 66 C CG . ASP A 1 12 ? 30.651 34.353 55.822 1.00 48.24 ? 33 ASP A CG 1 ATOM 67 O OD1 . ASP A 1 12 ? 31.100 34.381 54.656 1.00 49.11 ? 33 ASP A OD1 1 ATOM 68 O OD2 . ASP A 1 12 ? 29.683 33.635 56.160 1.00 51.74 ? 33 ASP A OD2 1 ATOM 69 N N . ALA A 1 13 ? 33.004 37.270 54.292 1.00 43.41 ? 34 ALA A N 1 ATOM 70 C CA . ALA A 1 13 ? 32.757 38.146 53.139 1.00 41.06 ? 34 ALA A CA 1 ATOM 71 C C . ALA A 1 13 ? 33.266 37.525 51.833 1.00 42.52 ? 34 ALA A C 1 ATOM 72 O O . ALA A 1 13 ? 33.782 36.403 51.829 1.00 48.74 ? 34 ALA A O 1 ATOM 73 C CB . ALA A 1 13 ? 33.394 39.534 53.367 1.00 39.13 ? 34 ALA A CB 1 ATOM 74 N N . LYS A 1 14 ? 33.142 38.269 50.738 1.00 38.59 ? 35 LYS A N 1 ATOM 75 C CA . LYS A 1 14 ? 33.243 37.709 49.392 1.00 40.41 ? 35 LYS A CA 1 ATOM 76 C C . LYS A 1 14 ? 34.525 36.952 49.077 1.00 46.16 ? 35 LYS A C 1 ATOM 77 O O . LYS A 1 14 ? 34.479 35.921 48.407 1.00 49.50 ? 35 LYS A O 1 ATOM 78 C CB . LYS A 1 14 ? 33.018 38.797 48.338 1.00 42.13 ? 35 LYS A CB 1 ATOM 79 C CG . LYS A 1 14 ? 32.921 38.274 46.908 1.00 45.80 ? 35 LYS A CG 1 ATOM 80 C CD . LYS A 1 14 ? 32.790 39.425 45.912 1.00 46.84 ? 35 LYS A CD 1 ATOM 81 C CE . LYS A 1 14 ? 32.554 38.908 44.502 1.00 48.05 ? 35 LYS A CE 1 ATOM 82 N NZ . LYS A 1 14 ? 32.579 40.016 43.500 1.00 47.61 ? 35 LYS A NZ 1 ATOM 83 N N . HIS A 1 15 ? 35.668 37.455 49.542 1.00 43.87 ? 36 HIS A N 1 ATOM 84 C CA . HIS A 1 15 ? 36.952 36.832 49.199 1.00 40.33 ? 36 HIS A CA 1 ATOM 85 C C . HIS A 1 15 ? 37.732 36.306 50.405 1.00 39.29 ? 36 HIS A C 1 ATOM 86 O O . HIS A 1 15 ? 38.702 35.553 50.253 1.00 37.74 ? 36 HIS A O 1 ATOM 87 C CB . HIS A 1 15 ? 37.832 37.816 48.416 1.00 38.92 ? 36 HIS A CB 1 ATOM 88 C CG . HIS A 1 15 ? 37.204 38.321 47.157 1.00 40.54 ? 36 HIS A CG 1 ATOM 89 N ND1 . HIS A 1 15 ? 37.052 37.538 46.031 1.00 42.53 ? 36 HIS A ND1 1 ATOM 90 C CD2 . HIS A 1 15 ? 36.688 39.534 46.840 1.00 39.05 ? 36 HIS A CD2 1 ATOM 91 C CE1 . HIS A 1 15 ? 36.468 38.243 45.080 1.00 44.77 ? 36 HIS A CE1 1 ATOM 92 N NE2 . HIS A 1 15 ? 36.240 39.460 45.545 1.00 42.92 ? 36 HIS A NE2 1 ATOM 93 N N . HIS A 1 16 ? 37.316 36.708 51.601 1.00 38.30 ? 37 HIS A N 1 ATOM 94 C CA . HIS A 1 16 ? 38.076 36.396 52.809 1.00 40.60 ? 37 HIS A CA 1 ATOM 95 C C . HIS A 1 16 ? 38.352 34.905 52.990 1.00 43.43 ? 37 HIS A C 1 ATOM 96 O O . HIS A 1 16 ? 37.513 34.067 52.656 1.00 47.51 ? 37 HIS A O 1 ATOM 97 C CB . HIS A 1 16 ? 37.363 36.945 54.052 1.00 40.17 ? 37 HIS A CB 1 ATOM 98 C CG . HIS A 1 16 ? 37.573 38.408 54.274 1.00 41.35 ? 37 HIS A CG 1 ATOM 99 N ND1 . HIS A 1 16 ? 37.015 39.377 53.468 1.00 41.59 ? 37 HIS A ND1 1 ATOM 100 C CD2 . HIS A 1 16 ? 38.279 39.067 55.224 1.00 41.07 ? 37 HIS A CD2 1 ATOM 101 C CE1 . HIS A 1 16 ? 37.374 40.571 53.910 1.00 40.81 ? 37 HIS A CE1 1 ATOM 102 N NE2 . HIS A 1 16 ? 38.140 40.408 54.974 1.00 40.84 ? 37 HIS A NE2 1 ATOM 103 N N . LYS A 1 17 ? 39.530 34.580 53.514 1.00 41.40 ? 38 LYS A N 1 ATOM 104 C CA . LYS A 1 17 ? 39.789 33.229 54.012 1.00 44.48 ? 38 LYS A CA 1 ATOM 105 C C . LYS A 1 17 ? 38.900 32.949 55.226 1.00 42.83 ? 38 LYS A C 1 ATOM 106 O O . LYS A 1 17 ? 38.455 33.876 55.900 1.00 42.67 ? 38 LYS A O 1 ATOM 107 C CB . LYS A 1 17 ? 41.274 33.069 54.401 1.00 44.21 ? 38 LYS A CB 1 ATOM 108 C CG . LYS A 1 17 ? 42.252 33.134 53.233 1.00 46.47 ? 38 LYS A CG 1 ATOM 109 C CD . LYS A 1 17 ? 43.630 33.653 53.661 1.00 47.88 ? 38 LYS A CD 1 ATOM 110 C CE . LYS A 1 17 ? 44.318 32.714 54.637 1.00 50.35 ? 38 LYS A CE 1 ATOM 111 N NZ . LYS A 1 17 ? 45.546 33.324 55.226 1.00 50.08 ? 38 LYS A NZ 1 ATOM 112 N N . THR A 1 18 ? 38.658 31.676 55.514 1.00 43.83 ? 39 THR A N 1 ATOM 113 C CA . THR A 1 18 ? 37.898 31.302 56.704 1.00 45.30 ? 39 THR A CA 1 ATOM 114 C C . THR A 1 18 ? 38.589 31.753 57.992 1.00 45.06 ? 39 THR A C 1 ATOM 115 O O . THR A 1 18 ? 37.928 32.140 58.958 1.00 43.15 ? 39 THR A O 1 ATOM 116 C CB . THR A 1 18 ? 37.700 29.781 56.781 1.00 50.49 ? 39 THR A CB 1 ATOM 117 O OG1 . THR A 1 18 ? 37.372 29.275 55.482 1.00 51.99 ? 39 THR A OG1 1 ATOM 118 C CG2 . THR A 1 18 ? 36.587 29.434 57.768 1.00 52.22 ? 39 THR A CG2 1 ATOM 119 N N . LYS A 1 19 ? 39.919 31.693 58.001 1.00 45.28 ? 40 LYS A N 1 ATOM 120 C CA . LYS A 1 19 ? 40.702 31.992 59.198 1.00 47.10 ? 40 LYS A CA 1 ATOM 121 C C . LYS A 1 19 ? 42.044 32.631 58.820 1.00 46.32 ? 40 LYS A C 1 ATOM 122 O O . LYS A 1 19 ? 42.565 32.388 57.730 1.00 45.20 ? 40 LYS A O 1 ATOM 123 C CB . LYS A 1 19 ? 40.917 30.712 60.018 1.00 51.45 ? 40 LYS A CB 1 ATOM 124 N N . PRO A 1 20 ? 42.610 33.455 59.720 1.00 46.97 ? 41 PRO A N 1 ATOM 125 C CA . PRO A 1 20 ? 43.829 34.204 59.385 1.00 45.35 ? 41 PRO A CA 1 ATOM 126 C C . PRO A 1 20 ? 45.068 33.320 59.397 1.00 47.14 ? 41 PRO A C 1 ATOM 127 O O . PRO A 1 20 ? 45.254 32.527 60.321 1.00 47.78 ? 41 PRO A O 1 ATOM 128 C CB . PRO A 1 20 ? 43.931 35.242 60.513 1.00 45.10 ? 41 PRO A CB 1 ATOM 129 C CG . PRO A 1 20 ? 42.623 35.165 61.273 1.00 44.78 ? 41 PRO A CG 1 ATOM 130 C CD . PRO A 1 20 ? 42.131 33.767 61.077 1.00 46.08 ? 41 PRO A CD 1 ATOM 131 N N . GLY A 1 21 ? 45.920 33.460 58.389 1.00 47.89 ? 42 GLY A N 1 ATOM 132 C CA . GLY A 1 21 ? 47.142 32.677 58.340 1.00 45.61 ? 42 GLY A CA 1 ATOM 133 C C . GLY A 1 21 ? 48.307 33.445 57.755 1.00 45.68 ? 42 GLY A C 1 ATOM 134 O O . GLY A 1 21 ? 48.134 34.568 57.266 1.00 46.58 ? 42 GLY A O 1 ATOM 135 N N . PRO A 1 22 ? 49.507 32.844 57.805 1.00 43.18 ? 43 PRO A N 1 ATOM 136 C CA . PRO A 1 22 ? 50.670 33.454 57.156 1.00 45.17 ? 43 PRO A CA 1 ATOM 137 C C . PRO A 1 22 ? 50.484 33.433 55.640 1.00 47.18 ? 43 PRO A C 1 ATOM 138 O O . PRO A 1 22 ? 50.006 32.427 55.096 1.00 47.41 ? 43 PRO A O 1 ATOM 139 C CB . PRO A 1 22 ? 51.833 32.525 57.553 1.00 48.11 ? 43 PRO A CB 1 ATOM 140 C CG . PRO A 1 22 ? 51.301 31.665 58.694 1.00 48.40 ? 43 PRO A CG 1 ATOM 141 C CD . PRO A 1 22 ? 49.827 31.546 58.429 1.00 45.48 ? 43 PRO A CD 1 ATOM 142 N N . GLU A 1 23 ? 50.831 34.534 54.975 1.00 46.62 ? 44 GLU A N 1 ATOM 143 C CA . GLU A 1 23 ? 50.783 34.615 53.513 1.00 46.80 ? 44 GLU A CA 1 ATOM 144 C C . GLU A 1 23 ? 52.044 35.289 52.989 1.00 48.11 ? 44 GLU A C 1 ATOM 145 O O . GLU A 1 23 ? 52.062 36.494 52.726 1.00 46.24 ? 44 GLU A O 1 ATOM 146 C CB . GLU A 1 23 ? 49.540 35.375 53.032 1.00 42.70 ? 44 GLU A CB 1 ATOM 147 C CG . GLU A 1 23 ? 48.224 34.693 53.342 1.00 41.45 ? 44 GLU A CG 1 ATOM 148 C CD . GLU A 1 23 ? 48.009 33.422 52.530 1.00 44.33 ? 44 GLU A CD 1 ATOM 149 O OE1 . GLU A 1 23 ? 48.823 33.121 51.626 1.00 44.20 ? 44 GLU A OE1 1 ATOM 150 O OE2 . GLU A 1 23 ? 47.011 32.723 52.794 1.00 45.06 ? 44 GLU A OE2 1 ATOM 151 N N . ASP A 1 24 ? 53.092 34.495 52.826 1.00 50.75 ? 45 ASP A N 1 ATOM 152 C CA . ASP A 1 24 ? 54.402 35.011 52.469 1.00 53.03 ? 45 ASP A CA 1 ATOM 153 C C . ASP A 1 24 ? 54.447 35.856 51.191 1.00 49.54 ? 45 ASP A C 1 ATOM 154 O O . ASP A 1 24 ? 55.289 36.756 51.073 1.00 46.20 ? 45 ASP A O 1 ATOM 155 C CB . ASP A 1 24 ? 55.397 33.856 52.356 1.00 59.53 ? 45 ASP A CB 1 ATOM 156 C CG . ASP A 1 24 ? 56.782 34.324 51.986 1.00 67.69 ? 45 ASP A CG 1 ATOM 157 O OD1 . ASP A 1 24 ? 57.401 35.049 52.800 1.00 71.72 ? 45 ASP A OD1 1 ATOM 158 O OD2 . ASP A 1 24 ? 57.256 33.969 50.884 1.00 69.97 ? 45 ASP A OD2 1 ATOM 159 N N . LYS A 1 25 ? 53.563 35.572 50.234 1.00 46.28 ? 46 LYS A N 1 ATOM 160 C CA . LYS A 1 25 ? 53.687 36.197 48.917 1.00 44.30 ? 46 LYS A CA 1 ATOM 161 C C . LYS A 1 25 ? 52.669 37.299 48.646 1.00 41.54 ? 46 LYS A C 1 ATOM 162 O O . LYS A 1 25 ? 52.368 37.598 47.487 1.00 41.92 ? 46 LYS A O 1 ATOM 163 C CB . LYS A 1 25 ? 53.646 35.140 47.809 1.00 48.77 ? 46 LYS A CB 1 ATOM 164 C CG . LYS A 1 25 ? 54.496 33.919 48.115 1.00 53.99 ? 46 LYS A CG 1 ATOM 165 C CD . LYS A 1 25 ? 55.119 33.313 46.868 1.00 59.43 ? 46 LYS A CD 1 ATOM 166 C CE . LYS A 1 25 ? 56.206 32.315 47.262 1.00 64.38 ? 46 LYS A CE 1 ATOM 167 N NZ . LYS A 1 25 ? 57.283 32.198 46.239 1.00 67.64 ? 46 LYS A NZ 1 ATOM 168 N N . LEU A 1 26 ? 52.139 37.899 49.707 1.00 37.44 ? 47 LEU A N 1 ATOM 169 C CA . LEU A 1 26 ? 51.226 39.033 49.544 1.00 38.86 ? 47 LEU A CA 1 ATOM 170 C C . LEU A 1 26 ? 51.913 40.098 48.682 1.00 42.18 ? 47 LEU A C 1 ATOM 171 O O . LEU A 1 26 ? 53.122 40.345 48.801 1.00 42.33 ? 47 LEU A O 1 ATOM 172 C CB . LEU A 1 26 ? 50.792 39.591 50.898 1.00 33.23 ? 47 LEU A CB 1 ATOM 173 C CG . LEU A 1 26 ? 49.885 38.633 51.666 1.00 33.56 ? 47 LEU A CG 1 ATOM 174 C CD1 . LEU A 1 26 ? 49.476 39.213 53.017 1.00 35.39 ? 47 LEU A CD1 1 ATOM 175 C CD2 . LEU A 1 26 ? 48.653 38.265 50.828 1.00 29.81 ? 47 LEU A CD2 1 ATOM 176 N N . HIS A 1 27 ? 51.148 40.691 47.781 1.00 41.44 ? 48 HIS A N 1 ATOM 177 C CA . HIS A 1 27 ? 51.737 41.521 46.745 1.00 44.08 ? 48 HIS A CA 1 ATOM 178 C C . HIS A 1 27 ? 51.905 42.975 47.189 1.00 44.72 ? 48 HIS A C 1 ATOM 179 O O . HIS A 1 27 ? 51.002 43.559 47.791 1.00 45.31 ? 48 HIS A O 1 ATOM 180 C CB . HIS A 1 27 ? 50.894 41.448 45.466 1.00 45.06 ? 48 HIS A CB 1 ATOM 181 C CG . HIS A 1 27 ? 51.463 42.234 44.328 1.00 45.47 ? 48 HIS A CG 1 ATOM 182 N ND1 . HIS A 1 27 ? 50.867 43.377 43.849 1.00 46.86 ? 48 HIS A ND1 1 ATOM 183 C CD2 . HIS A 1 27 ? 52.576 42.038 43.587 1.00 41.03 ? 48 HIS A CD2 1 ATOM 184 C CE1 . HIS A 1 27 ? 51.591 43.856 42.847 1.00 45.19 ? 48 HIS A CE1 1 ATOM 185 N NE2 . HIS A 1 27 ? 52.632 43.061 42.671 1.00 41.24 ? 48 HIS A NE2 1 ATOM 186 N N . ASP A 1 28 ? 53.079 43.535 46.903 1.00 42.20 ? 49 ASP A N 1 ATOM 187 C CA . ASP A 1 28 ? 53.329 44.964 47.064 1.00 39.38 ? 49 ASP A CA 1 ATOM 188 C C . ASP A 1 28 ? 52.675 45.566 48.317 1.00 39.25 ? 49 ASP A C 1 ATOM 189 O O . ASP A 1 28 ? 53.109 45.310 49.449 1.00 41.16 ? 49 ASP A O 1 ATOM 190 C CB . ASP A 1 28 ? 52.879 45.710 45.799 1.00 39.88 ? 49 ASP A CB 1 ATOM 191 C CG . ASP A 1 28 ? 53.370 47.158 45.751 1.00 43.78 ? 49 ASP A CG 1 ATOM 192 O OD1 . ASP A 1 28 ? 54.193 47.566 46.608 1.00 45.62 ? 49 ASP A OD1 1 ATOM 193 O OD2 . ASP A 1 28 ? 52.939 47.897 44.839 1.00 45.15 ? 49 ASP A OD2 1 ATOM 194 N N . GLN A 1 29 ? 51.631 46.363 48.123 1.00 38.27 ? 50 GLN A N 1 ATOM 195 C CA . GLN A 1 29 ? 51.086 47.138 49.238 1.00 37.88 ? 50 GLN A CA 1 ATOM 196 C C . GLN A 1 29 ? 50.560 46.293 50.404 1.00 38.86 ? 50 GLN A C 1 ATOM 197 O O . GLN A 1 29 ? 50.599 46.737 51.555 1.00 39.37 ? 50 GLN A O 1 ATOM 198 C CB . GLN A 1 29 ? 50.057 48.177 48.751 1.00 33.68 ? 50 GLN A CB 1 ATOM 199 C CG . GLN A 1 29 ? 50.722 49.406 48.109 1.00 33.65 ? 50 GLN A CG 1 ATOM 200 C CD . GLN A 1 29 ? 49.733 50.472 47.655 1.00 33.25 ? 50 GLN A CD 1 ATOM 201 O OE1 . GLN A 1 29 ? 49.619 50.763 46.458 1.00 33.25 ? 50 GLN A OE1 1 ATOM 202 N NE2 . GLN A 1 29 ? 49.036 51.083 48.614 1.00 29.84 ? 50 GLN A NE2 1 ATOM 203 N N . CYS A 1 30 ? 50.089 45.081 50.117 1.00 35.98 ? 51 CYS A N 1 ATOM 204 C CA . CYS A 1 30 ? 49.581 44.211 51.176 1.00 35.80 ? 51 CYS A CA 1 ATOM 205 C C . CYS A 1 30 ? 50.663 43.467 51.976 1.00 36.34 ? 51 CYS A C 1 ATOM 206 O O . CYS A 1 30 ? 50.376 42.916 53.032 1.00 35.56 ? 51 CYS A O 1 ATOM 207 C CB . CYS A 1 30 ? 48.574 43.208 50.607 1.00 37.89 ? 51 CYS A CB 1 ATOM 208 S SG . CYS A 1 30 ? 47.164 43.979 49.798 1.00 39.17 ? 51 CYS A SG 1 ATOM 209 N N . SER A 1 31 ? 51.903 43.465 51.498 1.00 34.77 ? 52 SER A N 1 ATOM 210 C CA . SER A 1 31 ? 52.945 42.681 52.164 1.00 36.43 ? 52 SER A CA 1 ATOM 211 C C . SER A 1 31 ? 53.099 42.935 53.679 1.00 37.76 ? 52 SER A C 1 ATOM 212 O O . SER A 1 31 ? 53.564 42.055 54.407 1.00 37.22 ? 52 SER A O 1 ATOM 213 C CB . SER A 1 31 ? 54.302 42.808 51.447 1.00 36.32 ? 52 SER A CB 1 ATOM 214 O OG . SER A 1 31 ? 54.848 44.108 51.572 1.00 33.01 ? 52 SER A OG 1 ATOM 215 N N . PRO A 1 32 ? 52.725 44.134 54.167 1.00 38.88 ? 53 PRO A N 1 ATOM 216 C CA . PRO A 1 32 ? 52.854 44.325 55.621 1.00 37.96 ? 53 PRO A CA 1 ATOM 217 C C . PRO A 1 32 ? 51.961 43.376 56.416 1.00 37.64 ? 53 PRO A C 1 ATOM 218 O O . PRO A 1 32 ? 52.125 43.251 57.629 1.00 37.34 ? 53 PRO A O 1 ATOM 219 C CB . PRO A 1 32 ? 52.405 45.784 55.820 1.00 36.49 ? 53 PRO A CB 1 ATOM 220 C CG . PRO A 1 32 ? 52.727 46.444 54.517 1.00 35.60 ? 53 PRO A CG 1 ATOM 221 C CD . PRO A 1 32 ? 52.428 45.401 53.470 1.00 36.10 ? 53 PRO A CD 1 ATOM 222 N N . TRP A 1 33 ? 51.029 42.724 55.724 1.00 38.61 ? 54 TRP A N 1 ATOM 223 C CA . TRP A 1 33 ? 50.112 41.757 56.333 1.00 41.00 ? 54 TRP A CA 1 ATOM 224 C C . TRP A 1 33 ? 50.588 40.306 56.205 1.00 39.28 ? 54 TRP A C 1 ATOM 225 O O . TRP A 1 33 ? 49.865 39.374 56.574 1.00 35.73 ? 54 TRP A O 1 ATOM 226 C CB . TRP A 1 33 ? 48.719 41.865 55.678 1.00 40.73 ? 54 TRP A CB 1 ATOM 227 C CG . TRP A 1 33 ? 47.901 43.034 56.138 1.00 41.41 ? 54 TRP A CG 1 ATOM 228 C CD1 . TRP A 1 33 ? 47.019 43.048 57.175 1.00 41.69 ? 54 TRP A CD1 1 ATOM 229 C CD2 . TRP A 1 33 ? 47.880 44.358 55.575 1.00 40.69 ? 54 TRP A CD2 1 ATOM 230 N NE1 . TRP A 1 33 ? 46.451 44.292 57.294 1.00 42.65 ? 54 TRP A NE1 1 ATOM 231 C CE2 . TRP A 1 33 ? 46.966 45.116 56.330 1.00 42.55 ? 54 TRP A CE2 1 ATOM 232 C CE3 . TRP A 1 33 ? 48.550 44.973 54.511 1.00 41.02 ? 54 TRP A CE3 1 ATOM 233 C CZ2 . TRP A 1 33 ? 46.694 46.462 56.054 1.00 42.47 ? 54 TRP A CZ2 1 ATOM 234 C CZ3 . TRP A 1 33 ? 48.283 46.307 54.238 1.00 44.21 ? 54 TRP A CZ3 1 ATOM 235 C CH2 . TRP A 1 33 ? 47.357 47.039 55.008 1.00 42.76 ? 54 TRP A CH2 1 ATOM 236 N N . LYS A 1 34 ? 51.797 40.104 55.694 1.00 40.72 ? 55 LYS A N 1 ATOM 237 C CA . LYS A 1 34 ? 52.218 38.752 55.291 1.00 45.14 ? 55 LYS A CA 1 ATOM 238 C C . LYS A 1 34 ? 52.429 37.758 56.438 1.00 45.46 ? 55 LYS A C 1 ATOM 239 O O . LYS A 1 34 ? 52.522 36.557 56.195 1.00 47.46 ? 55 LYS A O 1 ATOM 240 C CB . LYS A 1 34 ? 53.467 38.802 54.398 1.00 46.19 ? 55 LYS A CB 1 ATOM 241 C CG . LYS A 1 34 ? 54.736 39.179 55.137 1.00 50.94 ? 55 LYS A CG 1 ATOM 242 C CD . LYS A 1 34 ? 55.861 39.481 54.164 1.00 56.61 ? 55 LYS A CD 1 ATOM 243 C CE . LYS A 1 34 ? 57.176 39.714 54.887 1.00 60.57 ? 55 LYS A CE 1 ATOM 244 N NZ . LYS A 1 34 ? 57.897 40.912 54.355 1.00 62.97 ? 55 LYS A NZ 1 ATOM 245 N N . LYS A 1 35 ? 52.501 38.238 57.677 1.00 46.20 ? 56 LYS A N 1 ATOM 246 C CA . LYS A 1 35 ? 52.691 37.329 58.806 1.00 46.68 ? 56 LYS A CA 1 ATOM 247 C C . LYS A 1 35 ? 51.366 36.731 59.290 1.00 48.22 ? 56 LYS A C 1 ATOM 248 O O . LYS A 1 35 ? 51.349 35.653 59.885 1.00 48.81 ? 56 LYS A O 1 ATOM 249 C CB . LYS A 1 35 ? 53.426 38.028 59.937 1.00 47.30 ? 56 LYS A CB 1 ATOM 250 N N . ASN A 1 36 ? 50.269 37.440 59.020 1.00 42.99 ? 57 ASN A N 1 ATOM 251 C CA . ASN A 1 36 ? 48.930 37.023 59.432 1.00 44.70 ? 57 ASN A CA 1 ATOM 252 C C . ASN A 1 36 ? 47.878 37.776 58.618 1.00 43.08 ? 57 ASN A C 1 ATOM 253 O O . ASN A 1 36 ? 47.641 38.958 58.866 1.00 43.47 ? 57 ASN A O 1 ATOM 254 C CB . ASN A 1 36 ? 48.731 37.325 60.924 1.00 46.65 ? 57 ASN A CB 1 ATOM 255 C CG . ASN A 1 36 ? 47.709 36.415 61.584 1.00 46.41 ? 57 ASN A CG 1 ATOM 256 O OD1 . ASN A 1 36 ? 47.592 35.233 61.245 1.00 47.54 ? 57 ASN A OD1 1 ATOM 257 N ND2 . ASN A 1 36 ? 46.963 36.965 62.538 1.00 44.42 ? 57 ASN A ND2 1 ATOM 258 N N . ALA A 1 37 ? 47.260 37.112 57.640 1.00 38.18 ? 58 ALA A N 1 ATOM 259 C CA . ALA A 1 37 ? 46.305 37.789 56.753 1.00 34.26 ? 58 ALA A CA 1 ATOM 260 C C . ALA A 1 37 ? 44.985 37.045 56.534 1.00 42.35 ? 58 ALA A C 1 ATOM 261 O O . ALA A 1 37 ? 44.920 35.817 56.655 1.00 44.37 ? 58 ALA A O 1 ATOM 262 C CB . ALA A 1 37 ? 46.945 38.115 55.417 1.00 27.46 ? 58 ALA A CB 1 ATOM 263 N N . CYS A 1 38 ? 43.943 37.801 56.182 1.00 40.42 ? 59 CYS A N 1 ATOM 264 C CA . CYS A 1 38 ? 42.657 37.213 55.815 1.00 35.83 ? 59 CYS A CA 1 ATOM 265 C C . CYS A 1 38 ? 42.495 37.088 54.302 1.00 35.42 ? 59 CYS A C 1 ATOM 266 O O . CYS A 1 38 ? 41.501 36.540 53.816 1.00 36.09 ? 59 CYS A O 1 ATOM 267 C CB . CYS A 1 38 ? 41.500 38.010 56.435 1.00 30.18 ? 59 CYS A CB 1 ATOM 268 S SG . CYS A 1 38 ? 41.319 37.707 58.209 1.00 43.18 ? 59 CYS A SG 1 ATOM 269 N N . CYS A 1 39 ? 43.487 37.585 53.569 1.00 34.91 ? 60 CYS A N 1 ATOM 270 C CA . CYS A 1 39 ? 43.470 37.556 52.111 1.00 38.03 ? 60 CYS A CA 1 ATOM 271 C C . CYS A 1 39 ? 44.461 36.530 51.553 1.00 40.08 ? 60 CYS A C 1 ATOM 272 O O . CYS A 1 39 ? 45.459 36.209 52.198 1.00 40.47 ? 60 CYS A O 1 ATOM 273 C CB . CYS A 1 39 ? 43.818 38.946 51.559 1.00 40.43 ? 60 CYS A CB 1 ATOM 274 S SG . CYS A 1 39 ? 45.459 39.571 52.049 1.00 30.94 ? 60 CYS A SG 1 ATOM 275 N N . THR A 1 40 ? 44.185 36.013 50.356 1.00 40.54 ? 61 THR A N 1 ATOM 276 C CA . THR A 1 40 ? 45.143 35.151 49.669 1.00 40.06 ? 61 THR A CA 1 ATOM 277 C C . THR A 1 40 ? 46.115 35.992 48.851 1.00 38.27 ? 61 THR A C 1 ATOM 278 O O . THR A 1 40 ? 45.879 37.187 48.634 1.00 38.04 ? 61 THR A O 1 ATOM 279 C CB . THR A 1 40 ? 44.442 34.146 48.731 1.00 43.18 ? 61 THR A CB 1 ATOM 280 O OG1 . THR A 1 40 ? 43.837 34.856 47.643 1.00 41.75 ? 61 THR A OG1 1 ATOM 281 C CG2 . THR A 1 40 ? 43.392 33.332 49.484 1.00 43.32 ? 61 THR A CG2 1 ATOM 282 N N . ALA A 1 41 ? 47.198 35.371 48.386 1.00 37.95 ? 62 ALA A N 1 ATOM 283 C CA . ALA A 1 41 ? 48.179 36.072 47.552 1.00 40.17 ? 62 ALA A CA 1 ATOM 284 C C . ALA A 1 41 ? 47.490 36.571 46.286 1.00 40.77 ? 62 ALA A C 1 ATOM 285 O O . ALA A 1 41 ? 47.664 37.720 45.868 1.00 39.70 ? 62 ALA A O 1 ATOM 286 C CB . ALA A 1 41 ? 49.343 35.152 47.203 1.00 39.29 ? 62 ALA A CB 1 ATOM 287 N N . SER A 1 42 ? 46.704 35.684 45.686 1.00 41.50 ? 63 SER A N 1 ATOM 288 C CA . SER A 1 42 ? 45.920 35.991 44.493 1.00 44.61 ? 63 SER A CA 1 ATOM 289 C C . SER A 1 42 ? 45.062 37.250 44.683 1.00 42.89 ? 63 SER A C 1 ATOM 290 O O . SER A 1 42 ? 45.027 38.122 43.815 1.00 43.63 ? 63 SER A O 1 ATOM 291 C CB . SER A 1 42 ? 45.043 34.777 44.139 1.00 49.51 ? 63 SER A CB 1 ATOM 292 O OG . SER A 1 42 ? 44.298 34.984 42.952 1.00 53.20 ? 63 SER A OG 1 ATOM 293 N N . THR A 1 43 ? 44.378 37.339 45.820 1.00 38.94 ? 64 THR A N 1 ATOM 294 C CA . THR A 1 43 ? 43.552 38.499 46.118 1.00 39.05 ? 64 THR A CA 1 ATOM 295 C C . THR A 1 43 ? 44.402 39.769 46.270 1.00 39.97 ? 64 THR A C 1 ATOM 296 O O . THR A 1 43 ? 44.088 40.810 45.690 1.00 39.55 ? 64 THR A O 1 ATOM 297 C CB . THR A 1 43 ? 42.695 38.287 47.389 1.00 40.39 ? 64 THR A CB 1 ATOM 298 O OG1 . THR A 1 43 ? 41.700 37.278 47.143 1.00 42.36 ? 64 THR A OG1 1 ATOM 299 C CG2 . THR A 1 43 ? 42.013 39.599 47.797 1.00 37.40 ? 64 THR A CG2 1 ATOM 300 N N . SER A 1 44 ? 45.477 39.675 47.046 1.00 38.64 ? 65 SER A N 1 ATOM 301 C CA . SER A 1 44 ? 46.359 40.813 47.259 1.00 37.98 ? 65 SER A CA 1 ATOM 302 C C . SER A 1 44 ? 46.921 41.318 45.932 1.00 41.08 ? 65 SER A C 1 ATOM 303 O O . SER A 1 44 ? 47.147 42.519 45.761 1.00 40.90 ? 65 SER A O 1 ATOM 304 C CB . SER A 1 44 ? 47.499 40.441 48.205 1.00 36.69 ? 65 SER A CB 1 ATOM 305 O OG . SER A 1 44 ? 48.476 39.661 47.542 1.00 35.81 ? 65 SER A OG 1 ATOM 306 N N . GLN A 1 45 ? 47.151 40.394 45.002 1.00 44.15 ? 66 GLN A N 1 ATOM 307 C CA . GLN A 1 45 ? 47.613 40.738 43.660 1.00 46.95 ? 66 GLN A CA 1 ATOM 308 C C . GLN A 1 45 ? 46.526 41.442 42.864 1.00 43.35 ? 66 GLN A C 1 ATOM 309 O O . GLN A 1 45 ? 46.763 42.461 42.225 1.00 44.03 ? 66 GLN A O 1 ATOM 310 C CB . GLN A 1 45 ? 48.007 39.480 42.886 1.00 51.50 ? 66 GLN A CB 1 ATOM 311 C CG . GLN A 1 45 ? 49.361 38.911 43.210 1.00 57.74 ? 66 GLN A CG 1 ATOM 312 C CD . GLN A 1 45 ? 49.748 37.835 42.221 1.00 64.72 ? 66 GLN A CD 1 ATOM 313 O OE1 . GLN A 1 45 ? 49.569 36.641 42.476 1.00 64.67 ? 66 GLN A OE1 1 ATOM 314 N NE2 . GLN A 1 45 ? 50.261 38.255 41.065 1.00 68.41 ? 66 GLN A NE2 1 ATOM 315 N N . GLU A 1 46 ? 45.330 40.881 42.884 1.00 43.43 ? 67 GLU A N 1 ATOM 316 C CA . GLU A 1 46 ? 44.257 41.413 42.066 1.00 42.75 ? 67 GLU A CA 1 ATOM 317 C C . GLU A 1 46 ? 43.839 42.824 42.490 1.00 40.50 ? 67 GLU A C 1 ATOM 318 O O . GLU A 1 46 ? 43.478 43.650 41.656 1.00 37.82 ? 67 GLU A O 1 ATOM 319 C CB . GLU A 1 46 ? 43.067 40.443 42.051 1.00 45.10 ? 67 GLU A CB 1 ATOM 320 C CG . GLU A 1 46 ? 42.881 39.738 40.707 1.00 50.06 ? 67 GLU A CG 1 ATOM 321 C CD . GLU A 1 46 ? 42.124 40.600 39.711 1.00 56.37 ? 67 GLU A CD 1 ATOM 322 O OE1 . GLU A 1 46 ? 41.076 41.158 40.096 1.00 59.51 ? 67 GLU A OE1 1 ATOM 323 O OE2 . GLU A 1 46 ? 42.567 40.726 38.550 1.00 58.52 ? 67 GLU A OE2 1 ATOM 324 N N . LEU A 1 47 ? 43.910 43.114 43.781 1.00 40.62 ? 68 LEU A N 1 ATOM 325 C CA . LEU A 1 47 ? 43.409 44.391 44.256 1.00 42.30 ? 68 LEU A CA 1 ATOM 326 C C . LEU A 1 47 ? 44.287 45.577 43.838 1.00 43.06 ? 68 LEU A C 1 ATOM 327 O O . LEU A 1 47 ? 43.877 46.726 43.983 1.00 40.95 ? 68 LEU A O 1 ATOM 328 C CB . LEU A 1 47 ? 43.150 44.359 45.767 1.00 43.79 ? 68 LEU A CB 1 ATOM 329 C CG . LEU A 1 47 ? 44.317 44.044 46.701 1.00 41.64 ? 68 LEU A CG 1 ATOM 330 C CD1 . LEU A 1 47 ? 45.172 45.294 46.905 1.00 41.70 ? 68 LEU A CD1 1 ATOM 331 C CD2 . LEU A 1 47 ? 43.782 43.539 48.034 1.00 38.14 ? 68 LEU A CD2 1 ATOM 332 N N . HIS A 1 48 ? 45.480 45.298 43.310 1.00 42.86 ? 69 HIS A N 1 ATOM 333 C CA . HIS A 1 48 ? 46.367 46.358 42.817 1.00 40.84 ? 69 HIS A CA 1 ATOM 334 C C . HIS A 1 48 ? 46.000 46.791 41.399 1.00 44.24 ? 69 HIS A C 1 ATOM 335 O O . HIS A 1 48 ? 46.500 47.805 40.895 1.00 45.64 ? 69 HIS A O 1 ATOM 336 C CB . HIS A 1 48 ? 47.828 45.902 42.850 1.00 34.64 ? 69 HIS A CB 1 ATOM 337 C CG . HIS A 1 48 ? 48.438 45.955 44.211 1.00 33.07 ? 69 HIS A CG 1 ATOM 338 N ND1 . HIS A 1 48 ? 48.139 45.044 45.202 1.00 34.30 ? 69 HIS A ND1 1 ATOM 339 C CD2 . HIS A 1 48 ? 49.326 46.823 44.757 1.00 33.03 ? 69 HIS A CD2 1 ATOM 340 C CE1 . HIS A 1 48 ? 48.817 45.345 46.297 1.00 34.42 ? 69 HIS A CE1 1 ATOM 341 N NE2 . HIS A 1 48 ? 49.547 46.423 46.051 1.00 34.30 ? 69 HIS A NE2 1 ATOM 342 N N . LYS A 1 49 ? 45.126 46.021 40.758 1.00 42.29 ? 70 LYS A N 1 ATOM 343 C CA . LYS A 1 49 ? 44.808 46.229 39.353 1.00 43.27 ? 70 LYS A CA 1 ATOM 344 C C . LYS A 1 49 ? 43.682 47.230 39.179 1.00 46.28 ? 70 LYS A C 1 ATOM 345 O O . LYS A 1 49 ? 42.770 47.305 40.008 1.00 48.46 ? 70 LYS A O 1 ATOM 346 C CB . LYS A 1 49 ? 44.426 44.892 38.713 1.00 48.39 ? 70 LYS A CB 1 ATOM 347 C CG . LYS A 1 49 ? 45.503 43.820 38.833 1.00 51.35 ? 70 LYS A CG 1 ATOM 348 C CD . LYS A 1 49 ? 45.032 42.482 38.277 1.00 56.21 ? 70 LYS A CD 1 ATOM 349 C CE . LYS A 1 49 ? 46.205 41.583 37.900 1.00 61.44 ? 70 LYS A CE 1 ATOM 350 N NZ . LYS A 1 49 ? 46.980 42.143 36.750 1.00 64.37 ? 70 LYS A NZ 1 ATOM 351 N N . ASP A 1 50 ? 43.740 48.013 38.109 1.00 47.22 ? 71 ASP A N 1 ATOM 352 C CA . ASP A 1 50 ? 42.623 48.891 37.798 1.00 49.06 ? 71 ASP A CA 1 ATOM 353 C C . ASP A 1 50 ? 41.436 48.027 37.396 1.00 50.16 ? 71 ASP A C 1 ATOM 354 O O . ASP A 1 50 ? 41.587 47.068 36.632 1.00 49.70 ? 71 ASP A O 1 ATOM 355 C CB . ASP A 1 50 ? 42.997 49.879 36.689 1.00 50.76 ? 71 ASP A CB 1 ATOM 356 C CG . ASP A 1 50 ? 43.772 51.084 37.216 1.00 54.58 ? 71 ASP A CG 1 ATOM 357 O OD1 . ASP A 1 50 ? 43.255 51.780 38.122 1.00 55.82 ? 71 ASP A OD1 1 ATOM 358 O OD2 . ASP A 1 50 ? 44.897 51.330 36.729 1.00 54.80 ? 71 ASP A OD2 1 ATOM 359 N N . THR A 1 51 ? 40.263 48.350 37.934 1.00 49.46 ? 72 THR A N 1 ATOM 360 C CA . THR A 1 51 ? 39.065 47.561 37.674 1.00 47.48 ? 72 THR A CA 1 ATOM 361 C C . THR A 1 51 ? 39.347 46.063 37.850 1.00 44.55 ? 72 THR A C 1 ATOM 362 O O . THR A 1 51 ? 39.224 45.286 36.902 1.00 43.81 ? 72 THR A O 1 ATOM 363 C CB . THR A 1 51 ? 38.524 47.817 36.256 1.00 47.49 ? 72 THR A CB 1 ATOM 364 O OG1 . THR A 1 51 ? 38.466 49.228 36.015 1.00 48.19 ? 72 THR A OG1 1 ATOM 365 C CG2 . THR A 1 51 ? 37.130 47.215 36.098 1.00 44.02 ? 72 THR A CG2 1 ATOM 366 N N . SER A 1 52 ? 39.724 45.673 39.069 1.00 43.51 ? 73 SER A N 1 ATOM 367 C CA . SER A 1 52 ? 40.010 44.275 39.401 1.00 43.13 ? 73 SER A CA 1 ATOM 368 C C . SER A 1 52 ? 38.793 43.387 39.192 1.00 42.37 ? 73 SER A C 1 ATOM 369 O O . SER A 1 52 ? 37.655 43.875 39.129 1.00 40.00 ? 73 SER A O 1 ATOM 370 C CB . SER A 1 52 ? 40.431 44.133 40.864 1.00 43.99 ? 73 SER A CB 1 ATOM 371 O OG . SER A 1 52 ? 41.183 45.243 41.297 1.00 52.54 ? 73 SER A OG 1 ATOM 372 N N . ARG A 1 53 ? 39.046 42.080 39.109 1.00 39.41 ? 74 ARG A N 1 ATOM 373 C CA . ARG A 1 53 ? 37.989 41.076 39.053 1.00 41.46 ? 74 ARG A CA 1 ATOM 374 C C . ARG A 1 53 ? 37.380 40.831 40.439 1.00 42.51 ? 74 ARG A C 1 ATOM 375 O O . ARG A 1 53 ? 36.424 40.071 40.566 1.00 45.41 ? 74 ARG A O 1 ATOM 376 C CB . ARG A 1 53 ? 38.524 39.761 38.462 1.00 39.18 ? 74 ARG A CB 1 ATOM 377 N N . LEU A 1 54 ? 37.948 41.454 41.473 1.00 39.72 ? 75 LEU A N 1 ATOM 378 C CA . LEU A 1 54 ? 37.419 41.315 42.826 1.00 38.46 ? 75 LEU A CA 1 ATOM 379 C C . LEU A 1 54 ? 35.983 41.843 42.913 1.00 42.68 ? 75 LEU A C 1 ATOM 380 O O . LEU A 1 54 ? 35.084 41.156 43.406 1.00 41.10 ? 75 LEU A O 1 ATOM 381 C CB . LEU A 1 54 ? 38.311 42.034 43.843 1.00 40.72 ? 75 LEU A CB 1 ATOM 382 C CG . LEU A 1 54 ? 39.659 41.415 44.236 1.00 42.74 ? 75 LEU A CG 1 ATOM 383 C CD1 . LEU A 1 54 ? 40.227 42.138 45.442 1.00 42.36 ? 75 LEU A CD1 1 ATOM 384 C CD2 . LEU A 1 54 ? 39.531 39.922 44.545 1.00 46.21 ? 75 LEU A CD2 1 ATOM 385 N N . TYR A 1 55 ? 35.775 43.067 42.433 1.00 45.01 ? 76 TYR A N 1 ATOM 386 C CA . TYR A 1 55 ? 34.457 43.689 42.452 1.00 43.09 ? 76 TYR A CA 1 ATOM 387 C C . TYR A 1 55 ? 34.130 44.385 41.131 1.00 44.31 ? 76 TYR A C 1 ATOM 388 O O . TYR A 1 55 ? 33.073 44.998 40.990 1.00 46.85 ? 76 TYR A O 1 ATOM 389 C CB . TYR A 1 55 ? 34.356 44.679 43.626 1.00 44.64 ? 76 TYR A CB 1 ATOM 390 C CG . TYR A 1 55 ? 34.654 44.041 44.964 1.00 43.55 ? 76 TYR A CG 1 ATOM 391 C CD1 . TYR A 1 55 ? 33.666 43.363 45.658 1.00 39.29 ? 76 TYR A CD1 1 ATOM 392 C CD2 . TYR A 1 55 ? 35.933 44.094 45.521 1.00 42.28 ? 76 TYR A CD2 1 ATOM 393 C CE1 . TYR A 1 55 ? 33.930 42.756 46.877 1.00 39.43 ? 76 TYR A CE1 1 ATOM 394 C CE2 . TYR A 1 55 ? 36.208 43.492 46.750 1.00 41.14 ? 76 TYR A CE2 1 ATOM 395 C CZ . TYR A 1 55 ? 35.195 42.818 47.420 1.00 40.38 ? 76 TYR A CZ 1 ATOM 396 O OH . TYR A 1 55 ? 35.429 42.212 48.640 1.00 39.04 ? 76 TYR A OH 1 ATOM 397 N N . ASN A 1 56 ? 35.031 44.273 40.160 1.00 43.41 ? 77 ASN A N 1 ATOM 398 C CA . ASN A 1 56 ? 34.909 45.014 38.905 1.00 42.04 ? 77 ASN A CA 1 ATOM 399 C C . ASN A 1 56 ? 34.803 46.518 39.159 1.00 42.35 ? 77 ASN A C 1 ATOM 400 O O . ASN A 1 56 ? 34.108 47.227 38.432 1.00 43.51 ? 77 ASN A O 1 ATOM 401 C CB . ASN A 1 56 ? 33.700 44.533 38.093 1.00 43.82 ? 77 ASN A CB 1 ATOM 402 C CG . ASN A 1 56 ? 33.843 43.089 37.610 1.00 48.86 ? 77 ASN A CG 1 ATOM 403 O OD1 . ASN A 1 56 ? 34.843 42.720 36.987 1.00 50.70 ? 77 ASN A OD1 1 ATOM 404 N ND2 . ASN A 1 56 ? 32.837 42.268 37.897 1.00 50.55 ? 77 ASN A ND2 1 ATOM 405 N N . PHE A 1 57 ? 35.501 47.002 40.185 1.00 40.99 ? 78 PHE A N 1 ATOM 406 C CA . PHE A 1 57 ? 35.372 48.398 40.584 1.00 40.12 ? 78 PHE A CA 1 ATOM 407 C C . PHE A 1 57 ? 36.410 49.321 39.924 1.00 43.79 ? 78 PHE A C 1 ATOM 408 O O . PHE A 1 57 ? 37.629 49.133 40.070 1.00 40.05 ? 78 PHE A O 1 ATOM 409 C CB . PHE A 1 57 ? 35.420 48.547 42.108 1.00 37.51 ? 78 PHE A CB 1 ATOM 410 C CG . PHE A 1 57 ? 34.889 49.870 42.596 1.00 39.01 ? 78 PHE A CG 1 ATOM 411 C CD1 . PHE A 1 57 ? 33.610 49.961 43.131 1.00 37.53 ? 78 PHE A CD1 1 ATOM 412 C CD2 . PHE A 1 57 ? 35.658 51.028 42.495 1.00 39.02 ? 78 PHE A CD2 1 ATOM 413 C CE1 . PHE A 1 57 ? 33.104 51.180 43.576 1.00 36.89 ? 78 PHE A CE1 1 ATOM 414 C CE2 . PHE A 1 57 ? 35.161 52.252 42.934 1.00 40.68 ? 78 PHE A CE2 1 ATOM 415 C CZ . PHE A 1 57 ? 33.878 52.328 43.476 1.00 39.43 ? 78 PHE A CZ 1 ATOM 416 N N . ASN A 1 58 ? 35.909 50.323 39.206 1.00 45.00 ? 79 ASN A N 1 ATOM 417 C CA . ASN A 1 58 ? 36.758 51.283 38.521 1.00 43.11 ? 79 ASN A CA 1 ATOM 418 C C . ASN A 1 58 ? 37.009 52.522 39.377 1.00 42.34 ? 79 ASN A C 1 ATOM 419 O O . ASN A 1 58 ? 36.072 53.255 39.731 1.00 38.82 ? 79 ASN A O 1 ATOM 420 C CB . ASN A 1 58 ? 36.114 51.699 37.197 1.00 41.72 ? 79 ASN A CB 1 ATOM 421 C CG . ASN A 1 58 ? 37.006 52.606 36.380 1.00 40.32 ? 79 ASN A CG 1 ATOM 422 O OD1 . ASN A 1 58 ? 38.198 52.774 36.686 1.00 40.98 ? 79 ASN A OD1 1 ATOM 423 N ND2 . ASN A 1 58 ? 36.443 53.189 35.327 1.00 36.57 ? 79 ASN A ND2 1 ATOM 424 N N . TRP A 1 59 ? 38.279 52.748 39.704 1.00 41.44 ? 80 TRP A N 1 ATOM 425 C CA . TRP A 1 59 ? 38.695 53.945 40.423 1.00 38.41 ? 80 TRP A CA 1 ATOM 426 C C . TRP A 1 59 ? 38.701 55.151 39.500 1.00 38.29 ? 80 TRP A C 1 ATOM 427 O O . TRP A 1 59 ? 38.473 56.273 39.937 1.00 36.71 ? 80 TRP A O 1 ATOM 428 C CB . TRP A 1 59 ? 40.088 53.755 41.039 1.00 37.48 ? 80 TRP A CB 1 ATOM 429 C CG . TRP A 1 59 ? 40.105 52.781 42.167 1.00 39.01 ? 80 TRP A CG 1 ATOM 430 C CD1 . TRP A 1 59 ? 39.297 52.783 43.278 1.00 41.33 ? 80 TRP A CD1 1 ATOM 431 C CD2 . TRP A 1 59 ? 40.976 51.658 42.308 1.00 41.98 ? 80 TRP A CD2 1 ATOM 432 N NE1 . TRP A 1 59 ? 39.619 51.721 44.093 1.00 41.21 ? 80 TRP A NE1 1 ATOM 433 C CE2 . TRP A 1 59 ? 40.648 51.021 43.522 1.00 42.49 ? 80 TRP A CE2 1 ATOM 434 C CE3 . TRP A 1 59 ? 42.006 51.131 41.523 1.00 46.40 ? 80 TRP A CE3 1 ATOM 435 C CZ2 . TRP A 1 59 ? 41.314 49.877 43.968 1.00 48.20 ? 80 TRP A CZ2 1 ATOM 436 C CZ3 . TRP A 1 59 ? 42.669 49.996 41.965 1.00 48.95 ? 80 TRP A CZ3 1 ATOM 437 C CH2 . TRP A 1 59 ? 42.320 49.379 43.178 1.00 49.11 ? 80 TRP A CH2 1 ATOM 438 N N . ASP A 1 60 ? 38.963 54.919 38.220 1.00 41.63 ? 81 ASP A N 1 ATOM 439 C CA . ASP A 1 60 ? 39.022 56.008 37.254 1.00 43.27 ? 81 ASP A CA 1 ATOM 440 C C . ASP A 1 60 ? 37.653 56.274 36.621 1.00 44.06 ? 81 ASP A C 1 ATOM 441 O O . ASP A 1 60 ? 37.537 56.401 35.402 1.00 44.60 ? 81 ASP A O 1 ATOM 442 C CB . ASP A 1 60 ? 40.061 55.690 36.166 1.00 46.47 ? 81 ASP A CB 1 ATOM 443 C CG . ASP A 1 60 ? 41.453 55.429 36.732 1.00 47.05 ? 81 ASP A CG 1 ATOM 444 O OD1 . ASP A 1 60 ? 41.823 56.045 37.754 1.00 42.79 ? 81 ASP A OD1 1 ATOM 445 O OD2 . ASP A 1 60 ? 42.179 54.593 36.144 1.00 51.94 ? 81 ASP A OD2 1 ATOM 446 N N . HIS A 1 61 ? 36.616 56.357 37.452 1.00 43.36 ? 82 HIS A N 1 ATOM 447 C CA . HIS A 1 61 ? 35.253 56.554 36.942 1.00 43.88 ? 82 HIS A CA 1 ATOM 448 C C . HIS A 1 61 ? 34.968 58.012 36.568 1.00 45.85 ? 82 HIS A C 1 ATOM 449 O O . HIS A 1 61 ? 34.012 58.294 35.855 1.00 47.38 ? 82 HIS A O 1 ATOM 450 C CB . HIS A 1 61 ? 34.197 56.023 37.921 1.00 39.79 ? 82 HIS A CB 1 ATOM 451 C CG . HIS A 1 61 ? 34.325 56.573 39.307 1.00 40.15 ? 82 HIS A CG 1 ATOM 452 N ND1 . HIS A 1 61 ? 34.964 55.883 40.327 1.00 41.21 ? 82 HIS A ND1 1 ATOM 453 C CD2 . HIS A 1 61 ? 33.906 57.733 39.858 1.00 38.15 ? 82 HIS A CD2 1 ATOM 454 C CE1 . HIS A 1 61 ? 34.926 56.597 41.431 1.00 39.33 ? 82 HIS A CE1 1 ATOM 455 N NE2 . HIS A 1 61 ? 34.290 57.734 41.178 1.00 38.92 ? 82 HIS A NE2 1 ATOM 456 N N . CYS A 1 62 ? 35.796 58.935 37.053 1.00 45.45 ? 83 CYS A N 1 ATOM 457 C CA . CYS A 1 62 ? 35.737 60.332 36.604 1.00 46.83 ? 83 CYS A CA 1 ATOM 458 C C . CYS A 1 62 ? 37.114 60.783 36.129 1.00 47.29 ? 83 CYS A C 1 ATOM 459 O O . CYS A 1 62 ? 37.744 61.640 36.753 1.00 46.03 ? 83 CYS A O 1 ATOM 460 C CB . CYS A 1 62 ? 35.249 61.258 37.721 1.00 47.35 ? 83 CYS A CB 1 ATOM 461 S SG . CYS A 1 62 ? 33.506 61.080 38.173 1.00 46.54 ? 83 CYS A SG 1 ATOM 462 N N . GLY A 1 63 ? 37.573 60.209 35.021 1.00 48.01 ? 84 GLY A N 1 ATOM 463 C CA . GLY A 1 63 ? 38.941 60.409 34.581 1.00 47.94 ? 84 GLY A CA 1 ATOM 464 C C . GLY A 1 63 ? 39.901 59.570 35.407 1.00 48.50 ? 84 GLY A C 1 ATOM 465 O O . GLY A 1 63 ? 39.484 58.806 36.281 1.00 48.80 ? 84 GLY A O 1 ATOM 466 N N . LYS A 1 64 ? 41.193 59.711 35.141 1.00 49.85 ? 85 LYS A N 1 ATOM 467 C CA . LYS A 1 64 ? 42.190 58.922 35.850 1.00 50.26 ? 85 LYS A CA 1 ATOM 468 C C . LYS A 1 64 ? 42.429 59.477 37.247 1.00 44.94 ? 85 LYS A C 1 ATOM 469 O O . LYS A 1 64 ? 42.670 60.675 37.422 1.00 47.09 ? 85 LYS A O 1 ATOM 470 C CB . LYS A 1 64 ? 43.502 58.878 35.063 1.00 55.22 ? 85 LYS A CB 1 ATOM 471 C CG . LYS A 1 64 ? 44.611 58.105 35.753 1.00 61.43 ? 85 LYS A CG 1 ATOM 472 C CD . LYS A 1 64 ? 45.520 57.436 34.736 1.00 67.23 ? 85 LYS A CD 1 ATOM 473 C CE . LYS A 1 64 ? 44.808 56.298 34.008 1.00 69.55 ? 85 LYS A CE 1 ATOM 474 N NZ . LYS A 1 64 ? 44.919 55.006 34.743 1.00 70.84 ? 85 LYS A NZ 1 ATOM 475 N N . MET A 1 65 ? 42.349 58.603 38.243 1.00 38.06 ? 86 MET A N 1 ATOM 476 C CA . MET A 1 65 ? 42.655 58.980 39.616 1.00 37.38 ? 86 MET A CA 1 ATOM 477 C C . MET A 1 65 ? 44.171 59.108 39.803 1.00 43.74 ? 86 MET A C 1 ATOM 478 O O . MET A 1 65 ? 44.940 58.234 39.373 1.00 46.65 ? 86 MET A O 1 ATOM 479 C CB . MET A 1 65 ? 42.088 57.935 40.572 1.00 33.07 ? 86 MET A CB 1 ATOM 480 C CG . MET A 1 65 ? 42.502 58.119 42.017 1.00 33.46 ? 86 MET A CG 1 ATOM 481 S SD . MET A 1 65 ? 41.794 56.806 43.042 1.00 41.04 ? 86 MET A SD 1 ATOM 482 C CE . MET A 1 65 ? 40.064 57.305 43.086 1.00 36.33 ? 86 MET A CE 1 ATOM 483 N N . GLU A 1 66 ? 44.602 60.200 40.429 1.00 44.21 ? 87 GLU A N 1 ATOM 484 C CA . GLU A 1 66 ? 46.023 60.435 40.687 1.00 45.76 ? 87 GLU A CA 1 ATOM 485 C C . GLU A 1 66 ? 46.658 59.287 41.473 1.00 45.43 ? 87 GLU A C 1 ATOM 486 O O . GLU A 1 66 ? 46.048 58.762 42.414 1.00 43.48 ? 87 GLU A O 1 ATOM 487 C CB . GLU A 1 66 ? 46.208 61.746 41.453 1.00 52.39 ? 87 GLU A CB 1 ATOM 488 C CG . GLU A 1 66 ? 45.761 62.982 40.684 1.00 58.64 ? 87 GLU A CG 1 ATOM 489 C CD . GLU A 1 66 ? 46.589 63.224 39.429 1.00 63.70 ? 87 GLU A CD 1 ATOM 490 O OE1 . GLU A 1 66 ? 47.651 62.576 39.275 1.00 65.41 ? 87 GLU A OE1 1 ATOM 491 O OE2 . GLU A 1 66 ? 46.180 64.061 38.594 1.00 65.12 ? 87 GLU A OE2 1 ATOM 492 N N . PRO A 1 67 ? 47.889 58.901 41.097 1.00 47.20 ? 88 PRO A N 1 ATOM 493 C CA . PRO A 1 67 ? 48.596 57.806 41.778 1.00 45.42 ? 88 PRO A CA 1 ATOM 494 C C . PRO A 1 67 ? 48.692 58.041 43.282 1.00 43.08 ? 88 PRO A C 1 ATOM 495 O O . PRO A 1 67 ? 48.524 57.102 44.059 1.00 39.84 ? 88 PRO A O 1 ATOM 496 C CB . PRO A 1 67 ? 50.004 57.858 41.165 1.00 46.54 ? 88 PRO A CB 1 ATOM 497 C CG . PRO A 1 67 ? 49.814 58.502 39.839 1.00 49.31 ? 88 PRO A CG 1 ATOM 498 C CD . PRO A 1 67 ? 48.702 59.505 40.026 1.00 49.67 ? 88 PRO A CD 1 ATOM 499 N N . ALA A 1 68 ? 48.964 59.283 43.678 1.00 41.49 ? 89 ALA A N 1 ATOM 500 C CA . ALA A 1 68 ? 49.102 59.624 45.091 1.00 42.12 ? 89 ALA A CA 1 ATOM 501 C C . ALA A 1 68 ? 47.807 59.356 45.853 1.00 42.96 ? 89 ALA A C 1 ATOM 502 O O . ALA A 1 68 ? 47.825 59.156 47.068 1.00 43.12 ? 89 ALA A O 1 ATOM 503 C CB . ALA A 1 68 ? 49.517 61.083 45.250 1.00 41.22 ? 89 ALA A CB 1 ATOM 504 N N . CYS A 1 69 ? 46.692 59.360 45.128 1.00 41.18 ? 90 CYS A N 1 ATOM 505 C CA . CYS A 1 69 ? 45.380 59.128 45.717 1.00 39.61 ? 90 CYS A CA 1 ATOM 506 C C . CYS A 1 69 ? 45.006 57.650 45.632 1.00 38.50 ? 90 CYS A C 1 ATOM 507 O O . CYS A 1 69 ? 44.515 57.057 46.595 1.00 37.12 ? 90 CYS A O 1 ATOM 508 C CB . CYS A 1 69 ? 44.328 59.994 45.010 1.00 38.81 ? 90 CYS A CB 1 ATOM 509 S SG . CYS A 1 69 ? 42.602 59.662 45.485 1.00 34.08 ? 90 CYS A SG 1 ATOM 510 N N . LYS A 1 70 ? 45.260 57.059 44.470 1.00 37.32 ? 91 LYS A N 1 ATOM 511 C CA . LYS A 1 70 ? 44.905 55.671 44.215 1.00 36.19 ? 91 LYS A CA 1 ATOM 512 C C . LYS A 1 70 ? 45.586 54.702 45.187 1.00 37.50 ? 91 LYS A C 1 ATOM 513 O O . LYS A 1 70 ? 44.986 53.707 45.587 1.00 39.92 ? 91 LYS A O 1 ATOM 514 C CB . LYS A 1 70 ? 45.209 55.306 42.756 1.00 37.61 ? 91 LYS A CB 1 ATOM 515 C CG . LYS A 1 70 ? 44.614 53.984 42.286 1.00 40.31 ? 91 LYS A CG 1 ATOM 516 C CD . LYS A 1 70 ? 44.935 53.713 40.809 1.00 40.55 ? 91 LYS A CD 1 ATOM 517 C CE . LYS A 1 70 ? 44.050 54.537 39.880 1.00 39.51 ? 91 LYS A CE 1 ATOM 518 N NZ . LYS A 1 70 ? 44.339 54.269 38.439 1.00 41.73 ? 91 LYS A NZ 1 ATOM 519 N N . ARG A 1 71 ? 46.828 54.990 45.578 1.00 36.89 ? 92 ARG A N 1 ATOM 520 C CA . ARG A 1 71 ? 47.549 54.128 46.522 1.00 36.62 ? 92 ARG A CA 1 ATOM 521 C C . ARG A 1 71 ? 46.784 53.964 47.836 1.00 34.72 ? 92 ARG A C 1 ATOM 522 O O . ARG A 1 71 ? 46.801 52.893 48.441 1.00 33.83 ? 92 ARG A O 1 ATOM 523 C CB . ARG A 1 71 ? 48.971 54.655 46.793 1.00 40.29 ? 92 ARG A CB 1 ATOM 524 C CG . ARG A 1 71 ? 49.013 56.001 47.512 1.00 46.06 ? 92 ARG A CG 1 ATOM 525 C CD . ARG A 1 71 ? 50.430 56.578 47.589 1.00 50.34 ? 92 ARG A CD 1 ATOM 526 N NE . ARG A 1 71 ? 50.456 57.877 48.270 1.00 52.51 ? 92 ARG A NE 1 ATOM 527 C CZ . ARG A 1 71 ? 51.543 58.629 48.449 1.00 55.19 ? 92 ARG A CZ 1 ATOM 528 N NH1 . ARG A 1 71 ? 52.725 58.226 47.997 1.00 54.62 ? 92 ARG A NH1 1 ATOM 529 N NH2 . ARG A 1 71 ? 51.442 59.793 49.082 1.00 55.22 ? 92 ARG A NH2 1 ATOM 530 N N . HIS A 1 72 ? 46.110 55.028 48.269 1.00 33.60 ? 93 HIS A N 1 ATOM 531 C CA . HIS A 1 72 ? 45.322 54.984 49.493 1.00 32.60 ? 93 HIS A CA 1 ATOM 532 C C . HIS A 1 72 ? 44.127 54.047 49.356 1.00 34.81 ? 93 HIS A C 1 ATOM 533 O O . HIS A 1 72 ? 43.781 53.328 50.294 1.00 36.61 ? 93 HIS A O 1 ATOM 534 C CB . HIS A 1 72 ? 44.859 56.386 49.891 1.00 33.89 ? 93 HIS A CB 1 ATOM 535 C CG . HIS A 1 72 ? 45.968 57.269 50.381 1.00 37.20 ? 93 HIS A CG 1 ATOM 536 N ND1 . HIS A 1 72 ? 46.505 57.153 51.642 1.00 39.05 ? 93 HIS A ND1 1 ATOM 537 C CD2 . HIS A 1 72 ? 46.630 58.282 49.775 1.00 40.45 ? 93 HIS A CD2 1 ATOM 538 C CE1 . HIS A 1 72 ? 47.458 58.061 51.796 1.00 40.81 ? 93 HIS A CE1 1 ATOM 539 N NE2 . HIS A 1 72 ? 47.555 58.757 50.679 1.00 40.97 ? 93 HIS A NE2 1 ATOM 540 N N . PHE A 1 73 ? 43.489 54.052 48.191 1.00 35.13 ? 94 PHE A N 1 ATOM 541 C CA . PHE A 1 73 ? 42.402 53.107 47.959 1.00 37.79 ? 94 PHE A CA 1 ATOM 542 C C . PHE A 1 73 ? 42.935 51.678 47.908 1.00 40.41 ? 94 PHE A C 1 ATOM 543 O O . PHE A 1 73 ? 42.278 50.749 48.391 1.00 42.12 ? 94 PHE A O 1 ATOM 544 C CB . PHE A 1 73 ? 41.607 53.455 46.690 1.00 34.37 ? 94 PHE A CB 1 ATOM 545 C CG . PHE A 1 73 ? 40.711 54.650 46.857 1.00 37.12 ? 94 PHE A CG 1 ATOM 546 C CD1 . PHE A 1 73 ? 39.398 54.491 47.287 1.00 37.08 ? 94 PHE A CD1 1 ATOM 547 C CD2 . PHE A 1 73 ? 41.186 55.937 46.609 1.00 35.75 ? 94 PHE A CD2 1 ATOM 548 C CE1 . PHE A 1 73 ? 38.565 55.596 47.460 1.00 38.40 ? 94 PHE A CE1 1 ATOM 549 C CE2 . PHE A 1 73 ? 40.361 57.043 46.773 1.00 36.70 ? 94 PHE A CE2 1 ATOM 550 C CZ . PHE A 1 73 ? 39.048 56.875 47.199 1.00 35.55 ? 94 PHE A CZ 1 ATOM 551 N N . ILE A 1 74 ? 44.117 51.494 47.324 1.00 37.02 ? 95 ILE A N 1 ATOM 552 C CA . ILE A 1 74 ? 44.716 50.161 47.287 1.00 35.24 ? 95 ILE A CA 1 ATOM 553 C C . ILE A 1 74 ? 45.029 49.724 48.715 1.00 34.31 ? 95 ILE A C 1 ATOM 554 O O . ILE A 1 74 ? 44.678 48.618 49.127 1.00 32.39 ? 95 ILE A O 1 ATOM 555 C CB . ILE A 1 74 ? 45.973 50.120 46.387 1.00 36.88 ? 95 ILE A CB 1 ATOM 556 C CG1 . ILE A 1 74 ? 45.546 50.005 44.921 1.00 34.82 ? 95 ILE A CG1 1 ATOM 557 C CG2 . ILE A 1 74 ? 46.864 48.935 46.747 1.00 35.15 ? 95 ILE A CG2 1 ATOM 558 C CD1 . ILE A 1 74 ? 46.601 50.452 43.945 1.00 32.42 ? 95 ILE A CD1 1 ATOM 559 N N . GLN A 1 75 ? 45.658 50.624 49.471 1.00 33.89 ? 96 GLN A N 1 ATOM 560 C CA . GLN A 1 75 ? 45.966 50.400 50.885 1.00 33.67 ? 96 GLN A CA 1 ATOM 561 C C . GLN A 1 75 ? 44.726 50.012 51.697 1.00 37.92 ? 96 GLN A C 1 ATOM 562 O O . GLN A 1 75 ? 44.739 49.038 52.459 1.00 37.84 ? 96 GLN A O 1 ATOM 563 C CB . GLN A 1 75 ? 46.604 51.655 51.473 1.00 31.57 ? 96 GLN A CB 1 ATOM 564 C CG . GLN A 1 75 ? 47.294 51.435 52.795 1.00 33.10 ? 96 GLN A CG 1 ATOM 565 C CD . GLN A 1 75 ? 48.515 50.524 52.671 1.00 35.45 ? 96 GLN A CD 1 ATOM 566 O OE1 . GLN A 1 75 ? 49.005 50.262 51.566 1.00 33.40 ? 96 GLN A OE1 1 ATOM 567 N NE2 . GLN A 1 75 ? 49.014 50.043 53.810 1.00 34.00 ? 96 GLN A NE2 1 ATOM 568 N N . ASP A 1 76 ? 43.658 50.788 51.531 1.00 35.86 ? 97 ASP A N 1 ATOM 569 C CA . ASP A 1 76 ? 42.372 50.489 52.161 1.00 35.71 ? 97 ASP A CA 1 ATOM 570 C C . ASP A 1 76 ? 41.861 49.086 51.800 1.00 35.75 ? 97 ASP A C 1 ATOM 571 O O . ASP A 1 76 ? 41.432 48.328 52.671 1.00 35.31 ? 97 ASP A O 1 ATOM 572 C CB . ASP A 1 76 ? 41.328 51.541 51.764 1.00 35.49 ? 97 ASP A CB 1 ATOM 573 C CG . ASP A 1 76 ? 39.913 51.103 52.075 1.00 34.47 ? 97 ASP A CG 1 ATOM 574 O OD1 . ASP A 1 76 ? 39.519 51.181 53.261 1.00 31.11 ? 97 ASP A OD1 1 ATOM 575 O OD2 . ASP A 1 76 ? 39.199 50.677 51.136 1.00 35.69 ? 97 ASP A OD2 1 ATOM 576 N N . THR A 1 77 ? 41.911 48.741 50.517 1.00 36.61 ? 98 THR A N 1 ATOM 577 C CA . THR A 1 77 ? 41.512 47.410 50.081 1.00 40.50 ? 98 THR A CA 1 ATOM 578 C C . THR A 1 77 ? 42.389 46.315 50.720 1.00 39.44 ? 98 THR A C 1 ATOM 579 O O . THR A 1 77 ? 41.890 45.245 51.052 1.00 38.98 ? 98 THR A O 1 ATOM 580 C CB . THR A 1 77 ? 41.537 47.284 48.542 1.00 45.45 ? 98 THR A CB 1 ATOM 581 O OG1 . THR A 1 77 ? 40.703 48.295 47.965 1.00 47.24 ? 98 THR A OG1 1 ATOM 582 C CG2 . THR A 1 77 ? 41.015 45.928 48.112 1.00 47.53 ? 98 THR A CG2 1 ATOM 583 N N . CYS A 1 78 ? 43.688 46.570 50.881 1.00 37.96 ? 99 CYS A N 1 ATOM 584 C CA . CYS A 1 78 ? 44.550 45.614 51.585 1.00 39.40 ? 99 CYS A CA 1 ATOM 585 C C . CYS A 1 78 ? 43.999 45.326 52.979 1.00 40.83 ? 99 CYS A C 1 ATOM 586 O O . CYS A 1 78 ? 43.788 44.169 53.351 1.00 41.80 ? 99 CYS A O 1 ATOM 587 C CB . CYS A 1 78 ? 45.995 46.121 51.686 1.00 37.31 ? 99 CYS A CB 1 ATOM 588 S SG . CYS A 1 78 ? 46.941 45.983 50.153 1.00 34.82 ? 99 CYS A SG 1 ATOM 589 N N . LEU A 1 79 ? 43.758 46.392 53.737 1.00 39.01 ? 100 LEU A N 1 ATOM 590 C CA . LEU A 1 79 ? 43.211 46.280 55.087 1.00 39.08 ? 100 LEU A CA 1 ATOM 591 C C . LEU A 1 79 ? 41.859 45.569 55.102 1.00 37.40 ? 100 LEU A C 1 ATOM 592 O O . LEU A 1 79 ? 41.646 44.630 55.876 1.00 34.65 ? 100 LEU A O 1 ATOM 593 C CB . LEU A 1 79 ? 43.099 47.659 55.743 1.00 37.28 ? 100 LEU A CB 1 ATOM 594 C CG . LEU A 1 79 ? 42.567 47.662 57.175 1.00 40.04 ? 100 LEU A CG 1 ATOM 595 C CD1 . LEU A 1 79 ? 43.359 48.590 58.048 1.00 43.81 ? 100 LEU A CD1 1 ATOM 596 C CD2 . LEU A 1 79 ? 41.098 48.050 57.198 1.00 41.34 ? 100 LEU A CD2 1 ATOM 597 N N . TYR A 1 80 ? 40.953 46.004 54.236 1.00 38.83 ? 101 TYR A N 1 ATOM 598 C CA . TYR A 1 80 ? 39.641 45.377 54.162 1.00 40.33 ? 101 TYR A CA 1 ATOM 599 C C . TYR A 1 80 ? 39.772 43.865 53.922 1.00 39.70 ? 101 TYR A C 1 ATOM 600 O O . TYR A 1 80 ? 39.177 43.064 54.642 1.00 39.48 ? 101 TYR A O 1 ATOM 601 C CB . TYR A 1 80 ? 38.758 46.047 53.092 1.00 38.14 ? 101 TYR A CB 1 ATOM 602 C CG . TYR A 1 80 ? 37.432 45.348 52.884 1.00 37.67 ? 101 TYR A CG 1 ATOM 603 C CD1 . TYR A 1 80 ? 36.344 45.620 53.700 1.00 36.14 ? 101 TYR A CD1 1 ATOM 604 C CD2 . TYR A 1 80 ? 37.272 44.411 51.871 1.00 39.75 ? 101 TYR A CD2 1 ATOM 605 C CE1 . TYR A 1 80 ? 35.124 44.971 53.512 1.00 33.73 ? 101 TYR A CE1 1 ATOM 606 C CE2 . TYR A 1 80 ? 36.058 43.761 51.672 1.00 37.65 ? 101 TYR A CE2 1 ATOM 607 C CZ . TYR A 1 80 ? 34.991 44.044 52.496 1.00 33.95 ? 101 TYR A CZ 1 ATOM 608 O OH . TYR A 1 80 ? 33.788 43.393 52.303 1.00 32.56 ? 101 TYR A OH 1 ATOM 609 N N . GLU A 1 81 ? 40.576 43.472 52.941 1.00 39.30 ? 102 GLU A N 1 ATOM 610 C CA . GLU A 1 81 ? 40.675 42.060 52.575 1.00 39.07 ? 102 GLU A CA 1 ATOM 611 C C . GLU A 1 81 ? 41.568 41.221 53.490 1.00 40.56 ? 102 GLU A C 1 ATOM 612 O O . GLU A 1 81 ? 41.343 40.018 53.640 1.00 41.17 ? 102 GLU A O 1 ATOM 613 C CB . GLU A 1 81 ? 41.157 41.923 51.121 1.00 36.50 ? 102 GLU A CB 1 ATOM 614 C CG . GLU A 1 81 ? 40.274 42.629 50.096 1.00 38.20 ? 102 GLU A CG 1 ATOM 615 C CD . GLU A 1 81 ? 38.943 41.908 49.867 1.00 38.50 ? 102 GLU A CD 1 ATOM 616 O OE1 . GLU A 1 81 ? 38.775 40.778 50.377 1.00 34.03 ? 102 GLU A OE1 1 ATOM 617 O OE2 . GLU A 1 81 ? 38.068 42.472 49.172 1.00 39.13 ? 102 GLU A OE2 1 ATOM 618 N N . CYS A 1 82 ? 42.569 41.845 54.106 1.00 39.61 ? 103 CYS A N 1 ATOM 619 C CA . CYS A 1 82 ? 43.635 41.079 54.758 1.00 38.13 ? 103 CYS A CA 1 ATOM 620 C C . CYS A 1 82 ? 43.576 41.097 56.277 1.00 39.29 ? 103 CYS A C 1 ATOM 621 O O . CYS A 1 82 ? 44.014 40.154 56.945 1.00 41.77 ? 103 CYS A O 1 ATOM 622 C CB . CYS A 1 82 ? 45.003 41.593 54.287 1.00 33.34 ? 103 CYS A CB 1 ATOM 623 S SG . CYS A 1 82 ? 45.217 41.551 52.499 1.00 33.71 ? 103 CYS A SG 1 ATOM 624 N N . SER A 1 83 ? 43.016 42.168 56.820 1.00 37.08 ? 104 SER A N 1 ATOM 625 C CA . SER A 1 83 ? 43.092 42.422 58.257 1.00 35.57 ? 104 SER A CA 1 ATOM 626 C C . SER A 1 83 ? 42.416 41.366 59.125 1.00 34.69 ? 104 SER A C 1 ATOM 627 O O . SER A 1 83 ? 41.205 41.169 59.055 1.00 32.04 ? 104 SER A O 1 ATOM 628 C CB . SER A 1 83 ? 42.486 43.790 58.587 1.00 31.85 ? 104 SER A CB 1 ATOM 629 O OG . SER A 1 83 ? 42.475 43.980 59.986 1.00 29.36 ? 104 SER A OG 1 ATOM 630 N N . PRO A 1 84 ? 43.201 40.711 59.977 1.00 35.75 ? 105 PRO A N 1 ATOM 631 C CA . PRO A 1 84 ? 42.656 39.740 60.924 1.00 37.09 ? 105 PRO A CA 1 ATOM 632 C C . PRO A 1 84 ? 42.345 40.421 62.250 1.00 38.58 ? 105 PRO A C 1 ATOM 633 O O . PRO A 1 84 ? 42.129 39.734 63.245 1.00 39.12 ? 105 PRO A O 1 ATOM 634 C CB . PRO A 1 84 ? 43.833 38.785 61.121 1.00 36.24 ? 105 PRO A CB 1 ATOM 635 C CG . PRO A 1 84 ? 45.033 39.722 61.043 1.00 35.34 ? 105 PRO A CG 1 ATOM 636 C CD . PRO A 1 84 ? 44.661 40.857 60.113 1.00 33.24 ? 105 PRO A CD 1 ATOM 637 N N . ASN A 1 85 ? 42.346 41.752 62.268 1.00 36.75 ? 106 ASN A N 1 ATOM 638 C CA . ASN A 1 85 ? 42.233 42.482 63.526 1.00 36.46 ? 106 ASN A CA 1 ATOM 639 C C . ASN A 1 85 ? 41.039 43.436 63.614 1.00 36.32 ? 106 ASN A C 1 ATOM 640 O O . ASN A 1 85 ? 41.060 44.396 64.387 1.00 36.39 ? 106 ASN A O 1 ATOM 641 C CB . ASN A 1 85 ? 43.534 43.254 63.821 1.00 38.18 ? 106 ASN A CB 1 ATOM 642 C CG . ASN A 1 85 ? 44.746 42.341 63.929 1.00 41.56 ? 106 ASN A CG 1 ATOM 643 O OD1 . ASN A 1 85 ? 45.725 42.502 63.202 1.00 44.00 ? 106 ASN A OD1 1 ATOM 644 N ND2 . ASN A 1 85 ? 44.689 41.383 64.852 1.00 39.21 ? 106 ASN A ND2 1 ATOM 645 N N . LEU A 1 86 ? 39.996 43.170 62.838 1.00 37.33 ? 107 LEU A N 1 ATOM 646 C CA . LEU A 1 86 ? 38.811 44.025 62.837 1.00 38.84 ? 107 LEU A CA 1 ATOM 647 C C . LEU A 1 86 ? 37.636 43.356 63.560 1.00 45.12 ? 107 LEU A C 1 ATOM 648 O O . LEU A 1 86 ? 36.500 43.841 63.521 1.00 44.10 ? 107 LEU A O 1 ATOM 649 C CB . LEU A 1 86 ? 38.451 44.431 61.401 1.00 36.97 ? 107 LEU A CB 1 ATOM 650 C CG . LEU A 1 86 ? 39.584 45.206 60.703 1.00 36.78 ? 107 LEU A CG 1 ATOM 651 C CD1 . LEU A 1 86 ? 39.245 45.623 59.268 1.00 34.85 ? 107 LEU A CD1 1 ATOM 652 C CD2 . LEU A 1 86 ? 40.001 46.417 61.529 1.00 34.37 ? 107 LEU A CD2 1 ATOM 653 N N . GLY A 1 87 ? 37.934 42.243 64.231 1.00 45.11 ? 108 GLY A N 1 ATOM 654 C CA . GLY A 1 87 ? 36.943 41.475 64.967 1.00 44.32 ? 108 GLY A CA 1 ATOM 655 C C . GLY A 1 87 ? 35.901 42.283 65.722 1.00 46.24 ? 108 GLY A C 1 ATOM 656 O O . GLY A 1 87 ? 34.703 42.082 65.516 1.00 49.48 ? 108 GLY A O 1 ATOM 657 N N . PRO A 1 88 ? 36.346 43.192 66.608 1.00 44.02 ? 109 PRO A N 1 ATOM 658 C CA . PRO A 1 88 ? 35.423 43.939 67.473 1.00 43.35 ? 109 PRO A CA 1 ATOM 659 C C . PRO A 1 88 ? 34.435 44.821 66.716 1.00 43.39 ? 109 PRO A C 1 ATOM 660 O O . PRO A 1 88 ? 33.486 45.315 67.326 1.00 42.04 ? 109 PRO A O 1 ATOM 661 C CB . PRO A 1 88 ? 36.364 44.824 68.302 1.00 43.92 ? 109 PRO A CB 1 ATOM 662 C CG . PRO A 1 88 ? 37.680 44.090 68.310 1.00 38.93 ? 109 PRO A CG 1 ATOM 663 C CD . PRO A 1 88 ? 37.762 43.453 66.948 1.00 41.37 ? 109 PRO A CD 1 ATOM 664 N N . TRP A 1 89 ? 34.653 45.035 65.423 1.00 42.82 ? 110 TRP A N 1 ATOM 665 C CA . TRP A 1 89 ? 33.755 45.910 64.666 1.00 39.64 ? 110 TRP A CA 1 ATOM 666 C C . TRP A 1 89 ? 32.982 45.164 63.584 1.00 40.44 ? 110 TRP A C 1 ATOM 667 O O . TRP A 1 89 ? 32.222 45.753 62.827 1.00 42.34 ? 110 TRP A O 1 ATOM 668 C CB . TRP A 1 89 ? 34.515 47.126 64.111 1.00 37.45 ? 110 TRP A CB 1 ATOM 669 C CG . TRP A 1 89 ? 35.242 47.867 65.211 1.00 37.48 ? 110 TRP A CG 1 ATOM 670 C CD1 . TRP A 1 89 ? 34.714 48.802 66.060 1.00 35.46 ? 110 TRP A CD1 1 ATOM 671 C CD2 . TRP A 1 89 ? 36.612 47.691 65.614 1.00 36.51 ? 110 TRP A CD2 1 ATOM 672 N NE1 . TRP A 1 89 ? 35.669 49.224 66.954 1.00 33.96 ? 110 TRP A NE1 1 ATOM 673 C CE2 . TRP A 1 89 ? 36.843 48.565 66.700 1.00 35.32 ? 110 TRP A CE2 1 ATOM 674 C CE3 . TRP A 1 89 ? 37.661 46.889 65.159 1.00 35.01 ? 110 TRP A CE3 1 ATOM 675 C CZ2 . TRP A 1 89 ? 38.081 48.660 67.334 1.00 35.27 ? 110 TRP A CZ2 1 ATOM 676 C CZ3 . TRP A 1 89 ? 38.888 46.979 65.792 1.00 36.66 ? 110 TRP A CZ3 1 ATOM 677 C CH2 . TRP A 1 89 ? 39.089 47.859 66.869 1.00 37.20 ? 110 TRP A CH2 1 ATOM 678 N N . ILE A 1 90 ? 33.173 43.855 63.530 1.00 40.56 ? 111 ILE A N 1 ATOM 679 C CA . ILE A 1 90 ? 32.426 43.018 62.604 1.00 39.76 ? 111 ILE A CA 1 ATOM 680 C C . ILE A 1 90 ? 30.946 42.971 62.973 1.00 40.75 ? 111 ILE A C 1 ATOM 681 O O . ILE A 1 90 ? 30.589 42.800 64.141 1.00 40.62 ? 111 ILE A O 1 ATOM 682 C CB . ILE A 1 90 ? 32.996 41.582 62.562 1.00 37.14 ? 111 ILE A CB 1 ATOM 683 C CG1 . ILE A 1 90 ? 34.302 41.560 61.754 1.00 34.50 ? 111 ILE A CG1 1 ATOM 684 C CG2 . ILE A 1 90 ? 31.985 40.631 61.959 1.00 35.99 ? 111 ILE A CG2 1 ATOM 685 C CD1 . ILE A 1 90 ? 35.043 40.227 61.774 1.00 31.62 ? 111 ILE A CD1 1 ATOM 686 N N . GLN A 1 91 ? 30.087 43.141 61.975 1.00 40.94 ? 112 GLN A N 1 ATOM 687 C CA . GLN A 1 91 ? 28.647 43.039 62.176 1.00 43.55 ? 112 GLN A CA 1 ATOM 688 C C . GLN A 1 91 ? 28.051 42.180 61.081 1.00 45.07 ? 112 GLN A C 1 ATOM 689 O O . GLN A 1 91 ? 28.604 42.088 59.982 1.00 45.65 ? 112 GLN A O 1 ATOM 690 C CB . GLN A 1 91 ? 27.987 44.424 62.169 1.00 46.87 ? 112 GLN A CB 1 ATOM 691 C CG . GLN A 1 91 ? 28.189 45.241 63.433 1.00 52.15 ? 112 GLN A CG 1 ATOM 692 C CD . GLN A 1 91 ? 27.258 46.448 63.497 1.00 60.07 ? 112 GLN A CD 1 ATOM 693 O OE1 . GLN A 1 91 ? 26.164 46.439 62.924 1.00 63.14 ? 112 GLN A OE1 1 ATOM 694 N NE2 . GLN A 1 91 ? 27.691 47.492 64.195 1.00 59.29 ? 112 GLN A NE2 1 ATOM 695 N N . GLN A 1 92 ? 26.921 41.551 61.377 1.00 45.22 ? 113 GLN A N 1 ATOM 696 C CA . GLN A 1 92 ? 26.231 40.746 60.376 1.00 49.11 ? 113 GLN A CA 1 ATOM 697 C C . GLN A 1 92 ? 25.309 41.649 59.565 1.00 50.19 ? 113 GLN A C 1 ATOM 698 O O . GLN A 1 92 ? 24.537 42.425 60.132 1.00 53.56 ? 113 GLN A O 1 ATOM 699 C CB . GLN A 1 92 ? 25.439 39.617 61.043 1.00 51.72 ? 113 GLN A CB 1 ATOM 700 C CG . GLN A 1 92 ? 25.112 38.459 60.121 1.00 53.81 ? 113 GLN A CG 1 ATOM 701 C CD . GLN A 1 92 ? 24.463 37.303 60.858 1.00 58.73 ? 113 GLN A CD 1 ATOM 702 O OE1 . GLN A 1 92 ? 23.346 37.425 61.378 1.00 57.58 ? 113 GLN A OE1 1 ATOM 703 N NE2 . GLN A 1 92 ? 25.167 36.171 60.919 1.00 59.27 ? 113 GLN A NE2 1 ATOM 704 N N . VAL A 1 93 ? 25.395 41.560 58.241 1.00 48.71 ? 114 VAL A N 1 ATOM 705 C CA . VAL A 1 93 ? 24.648 42.472 57.375 1.00 47.51 ? 114 VAL A CA 1 ATOM 706 C C . VAL A 1 93 ? 23.790 41.742 56.341 1.00 48.86 ? 114 VAL A C 1 ATOM 707 O O . VAL A 1 93 ? 22.899 42.341 55.738 1.00 50.53 ? 114 VAL A O 1 ATOM 708 C CB . VAL A 1 93 ? 25.578 43.471 56.645 1.00 42.64 ? 114 VAL A CB 1 ATOM 709 C CG1 . VAL A 1 93 ? 26.371 44.296 57.645 1.00 40.44 ? 114 VAL A CG1 1 ATOM 710 C CG2 . VAL A 1 93 ? 26.512 42.735 55.691 1.00 43.82 ? 114 VAL A CG2 1 ATOM 711 N N . ASN A 1 94 ? 24.066 40.457 56.133 1.00 49.96 ? 115 ASN A N 1 ATOM 712 C CA . ASN A 1 94 ? 23.292 39.649 55.187 1.00 54.91 ? 115 ASN A CA 1 ATOM 713 C C . ASN A 1 94 ? 23.077 40.349 53.838 1.00 56.20 ? 115 ASN A C 1 ATOM 714 O O . ASN A 1 94 ? 21.960 40.753 53.503 1.00 56.10 ? 115 ASN A O 1 ATOM 715 C CB . ASN A 1 94 ? 21.946 39.228 55.804 1.00 59.02 ? 115 ASN A CB 1 ATOM 716 C CG . ASN A 1 94 ? 22.112 38.340 57.028 1.00 62.74 ? 115 ASN A CG 1 ATOM 717 O OD1 . ASN A 1 94 ? 23.109 37.625 57.165 1.00 62.88 ? 115 ASN A OD1 1 ATOM 718 N ND2 . ASN A 1 94 ? 21.128 38.380 57.926 1.00 65.23 ? 115 ASN A ND2 1 ATOM 719 N N . GLN A 1 95 ? 24.163 40.493 53.078 1.00 55.60 ? 116 GLN A N 1 ATOM 720 C CA . GLN A 1 95 ? 24.124 41.103 51.750 1.00 51.55 ? 116 GLN A CA 1 ATOM 721 C C . GLN A 1 95 ? 24.464 40.057 50.694 1.00 46.37 ? 116 GLN A C 1 ATOM 722 O O . GLN A 1 95 ? 25.007 39.001 51.015 1.00 46.72 ? 116 GLN A O 1 ATOM 723 C CB . GLN A 1 95 ? 25.103 42.286 51.664 1.00 51.23 ? 116 GLN A CB 1 ATOM 724 C CG . GLN A 1 95 ? 24.846 43.392 52.676 1.00 53.72 ? 116 GLN A CG 1 ATOM 725 C CD . GLN A 1 95 ? 25.764 44.599 52.487 1.00 55.93 ? 116 GLN A CD 1 ATOM 726 O OE1 . GLN A 1 95 ? 26.177 45.238 53.456 1.00 57.14 ? 116 GLN A OE1 1 ATOM 727 N NE2 . GLN A 1 95 ? 26.078 44.916 51.234 1.00 55.84 ? 116 GLN A NE2 1 ATOM 728 N N . SER A 1 96 ? 24.159 40.355 49.436 1.00 45.85 ? 117 SER A N 1 ATOM 729 C CA . SER A 1 96 ? 24.353 39.389 48.359 1.00 47.94 ? 117 SER A CA 1 ATOM 730 C C . SER A 1 96 ? 25.817 38.986 48.210 1.00 47.56 ? 117 SER A C 1 ATOM 731 O O . SER A 1 96 ? 26.115 37.845 47.859 1.00 44.64 ? 117 SER A O 1 ATOM 732 C CB . SER A 1 96 ? 23.834 39.945 47.031 1.00 50.54 ? 117 SER A CB 1 ATOM 733 O OG . SER A 1 96 ? 24.590 41.068 46.620 1.00 54.09 ? 117 SER A OG 1 ATOM 734 N N . TRP A 1 97 ? 26.731 39.918 48.475 1.00 45.82 ? 118 TRP A N 1 ATOM 735 C CA . TRP A 1 97 ? 28.145 39.658 48.221 1.00 42.99 ? 118 TRP A CA 1 ATOM 736 C C . TRP A 1 97 ? 28.992 39.556 49.489 1.00 42.89 ? 118 TRP A C 1 ATOM 737 O O . TRP A 1 97 ? 30.230 39.524 49.428 1.00 46.50 ? 118 TRP A O 1 ATOM 738 C CB . TRP A 1 97 ? 28.725 40.715 47.283 1.00 41.83 ? 118 TRP A CB 1 ATOM 739 C CG . TRP A 1 97 ? 28.590 42.128 47.785 1.00 44.54 ? 118 TRP A CG 1 ATOM 740 C CD1 . TRP A 1 97 ? 27.481 42.922 47.703 1.00 44.73 ? 118 TRP A CD1 1 ATOM 741 C CD2 . TRP A 1 97 ? 29.605 42.920 48.427 1.00 44.34 ? 118 TRP A CD2 1 ATOM 742 N NE1 . TRP A 1 97 ? 27.740 44.149 48.257 1.00 45.29 ? 118 TRP A NE1 1 ATOM 743 C CE2 . TRP A 1 97 ? 29.033 44.178 48.707 1.00 44.29 ? 118 TRP A CE2 1 ATOM 744 C CE3 . TRP A 1 97 ? 30.938 42.686 48.793 1.00 42.59 ? 118 TRP A CE3 1 ATOM 745 C CZ2 . TRP A 1 97 ? 29.747 45.202 49.337 1.00 42.50 ? 118 TRP A CZ2 1 ATOM 746 C CZ3 . TRP A 1 97 ? 31.648 43.710 49.422 1.00 39.97 ? 118 TRP A CZ3 1 ATOM 747 C CH2 . TRP A 1 97 ? 31.050 44.947 49.685 1.00 40.47 ? 118 TRP A CH2 1 ATOM 748 N N . ARG A 1 98 ? 28.325 39.496 50.636 1.00 38.77 ? 119 ARG A N 1 ATOM 749 C CA . ARG A 1 98 ? 29.012 39.378 51.919 1.00 40.07 ? 119 ARG A CA 1 ATOM 750 C C . ARG A 1 98 ? 27.999 39.249 53.044 1.00 41.19 ? 119 ARG A C 1 ATOM 751 O O . ARG A 1 98 ? 27.039 40.016 53.097 1.00 42.75 ? 119 ARG A O 1 ATOM 752 C CB . ARG A 1 98 ? 29.936 40.581 52.165 1.00 41.91 ? 119 ARG A CB 1 ATOM 753 C CG . ARG A 1 98 ? 29.239 41.935 52.428 1.00 41.36 ? 119 ARG A CG 1 ATOM 754 C CD . ARG A 1 98 ? 30.274 43.018 52.760 1.00 41.71 ? 119 ARG A CD 1 ATOM 755 N NE . ARG A 1 98 ? 29.735 44.384 52.832 1.00 42.51 ? 119 ARG A NE 1 ATOM 756 C CZ . ARG A 1 98 ? 30.490 45.482 52.887 1.00 45.43 ? 119 ARG A CZ 1 ATOM 757 N NH1 . ARG A 1 98 ? 31.809 45.376 52.876 1.00 44.36 ? 119 ARG A NH1 1 ATOM 758 N NH2 . ARG A 1 98 ? 29.932 46.687 52.947 1.00 46.31 ? 119 ARG A NH2 1 ATOM 759 N N . LYS A 1 99 ? 28.208 38.281 53.936 1.00 38.54 ? 120 LYS A N 1 ATOM 760 C CA . LYS A 1 99 ? 27.301 38.071 55.063 1.00 36.45 ? 120 LYS A CA 1 ATOM 761 C C . LYS A 1 99 ? 27.709 38.900 56.274 1.00 36.98 ? 120 LYS A C 1 ATOM 762 O O . LYS A 1 99 ? 26.902 39.152 57.163 1.00 41.39 ? 120 LYS A O 1 ATOM 763 C CB . LYS A 1 99 ? 27.203 36.575 55.433 1.00 39.79 ? 120 LYS A CB 1 ATOM 764 N N . GLU A 1 100 ? 28.966 39.329 56.301 1.00 37.47 ? 121 GLU A N 1 ATOM 765 C CA . GLU A 1 100 ? 29.447 40.210 57.353 1.00 37.07 ? 121 GLU A CA 1 ATOM 766 C C . GLU A 1 100 ? 30.255 41.375 56.772 1.00 37.77 ? 121 GLU A C 1 ATOM 767 O O . GLU A 1 100 ? 30.691 41.330 55.617 1.00 39.99 ? 121 GLU A O 1 ATOM 768 C CB . GLU A 1 100 ? 30.305 39.426 58.358 1.00 36.71 ? 121 GLU A CB 1 ATOM 769 C CG . GLU A 1 100 ? 29.548 38.429 59.215 1.00 40.11 ? 121 GLU A CG 1 ATOM 770 C CD . GLU A 1 100 ? 30.484 37.619 60.110 1.00 40.93 ? 121 GLU A CD 1 ATOM 771 O OE1 . GLU A 1 100 ? 31.683 37.511 59.770 1.00 36.60 ? 121 GLU A OE1 1 ATOM 772 O OE2 . GLU A 1 100 ? 30.029 37.095 61.152 1.00 43.28 ? 121 GLU A OE2 1 ATOM 773 N N . ARG A 1 101 ? 30.446 42.415 57.581 1.00 34.47 ? 122 ARG A N 1 ATOM 774 C CA . ARG A 1 101 ? 31.332 43.528 57.240 1.00 32.21 ? 122 ARG A CA 1 ATOM 775 C C . ARG A 1 101 ? 31.783 44.161 58.541 1.00 33.79 ? 122 ARG A C 1 ATOM 776 O O . ARG A 1 101 ? 31.407 43.703 59.620 1.00 35.61 ? 122 ARG A O 1 ATOM 777 C CB . ARG A 1 101 ? 30.617 44.577 56.386 1.00 32.55 ? 122 ARG A CB 1 ATOM 778 C CG . ARG A 1 101 ? 29.610 45.428 57.177 1.00 31.42 ? 122 ARG A CG 1 ATOM 779 C CD . ARG A 1 101 ? 29.073 46.578 56.341 1.00 32.01 ? 122 ARG A CD 1 ATOM 780 N NE . ARG A 1 101 ? 30.087 47.597 56.064 1.00 34.57 ? 122 ARG A NE 1 ATOM 781 C CZ . ARG A 1 101 ? 29.849 48.750 55.443 1.00 34.84 ? 122 ARG A CZ 1 ATOM 782 N NH1 . ARG A 1 101 ? 28.621 49.041 55.031 1.00 33.11 ? 122 ARG A NH1 1 ATOM 783 N NH2 . ARG A 1 101 ? 30.838 49.609 55.237 1.00 27.23 ? 122 ARG A NH2 1 ATOM 784 N N . PHE A 1 102 ? 32.586 45.212 58.456 1.00 36.46 ? 123 PHE A N 1 ATOM 785 C CA . PHE A 1 102 ? 32.911 45.959 59.661 1.00 38.52 ? 123 PHE A CA 1 ATOM 786 C C . PHE A 1 102 ? 32.409 47.402 59.572 1.00 35.04 ? 123 PHE A C 1 ATOM 787 O O . PHE A 1 102 ? 32.269 47.960 58.482 1.00 34.37 ? 123 PHE A O 1 ATOM 788 C CB . PHE A 1 102 ? 34.406 45.885 59.996 1.00 40.11 ? 123 PHE A CB 1 ATOM 789 C CG . PHE A 1 102 ? 35.305 46.403 58.914 1.00 39.61 ? 123 PHE A CG 1 ATOM 790 C CD1 . PHE A 1 102 ? 35.510 47.768 58.752 1.00 40.48 ? 123 PHE A CD1 1 ATOM 791 C CD2 . PHE A 1 102 ? 35.969 45.520 58.071 1.00 36.70 ? 123 PHE A CD2 1 ATOM 792 C CE1 . PHE A 1 102 ? 36.357 48.239 57.756 1.00 41.27 ? 123 PHE A CE1 1 ATOM 793 C CE2 . PHE A 1 102 ? 36.815 45.982 57.074 1.00 36.08 ? 123 PHE A CE2 1 ATOM 794 C CZ . PHE A 1 102 ? 37.013 47.339 56.913 1.00 39.22 ? 123 PHE A CZ 1 ATOM 795 N N . LEU A 1 103 ? 32.110 47.982 60.729 1.00 34.90 ? 124 LEU A N 1 ATOM 796 C CA . LEU A 1 103 ? 31.510 49.306 60.798 1.00 37.06 ? 124 LEU A CA 1 ATOM 797 C C . LEU A 1 103 ? 32.071 50.041 61.998 1.00 37.52 ? 124 LEU A C 1 ATOM 798 O O . LEU A 1 103 ? 32.334 49.436 63.036 1.00 41.76 ? 124 LEU A O 1 ATOM 799 C CB . LEU A 1 103 ? 29.981 49.203 60.905 1.00 39.53 ? 124 LEU A CB 1 ATOM 800 C CG . LEU A 1 103 ? 29.239 48.756 59.640 1.00 44.05 ? 124 LEU A CG 1 ATOM 801 C CD1 . LEU A 1 103 ? 27.945 48.009 59.961 1.00 47.36 ? 124 LEU A CD1 1 ATOM 802 C CD2 . LEU A 1 103 ? 28.954 49.940 58.730 1.00 42.49 ? 124 LEU A CD2 1 ATOM 803 N N . ASP A 1 104 ? 32.268 51.346 61.846 1.00 36.42 ? 125 ASP A N 1 ATOM 804 C CA . ASP A 1 104 ? 32.813 52.175 62.915 1.00 34.26 ? 125 ASP A CA 1 ATOM 805 C C . ASP A 1 104 ? 34.162 51.684 63.448 1.00 32.47 ? 125 ASP A C 1 ATOM 806 O O . ASP A 1 104 ? 34.432 51.773 64.647 1.00 31.70 ? 125 ASP A O 1 ATOM 807 C CB . ASP A 1 104 ? 31.792 52.312 64.050 1.00 35.44 ? 125 ASP A CB 1 ATOM 808 C CG . ASP A 1 104 ? 30.619 53.197 63.669 1.00 37.42 ? 125 ASP A CG 1 ATOM 809 O OD1 . ASP A 1 104 ? 30.856 54.330 63.195 1.00 35.39 ? 125 ASP A OD1 1 ATOM 810 O OD2 . ASP A 1 104 ? 29.461 52.745 63.824 1.00 40.90 ? 125 ASP A OD2 1 ATOM 811 N N . VAL A 1 105 ? 35.005 51.163 62.559 1.00 32.28 ? 126 VAL A N 1 ATOM 812 C CA . VAL A 1 105 ? 36.391 50.915 62.927 1.00 31.53 ? 126 VAL A CA 1 ATOM 813 C C . VAL A 1 105 ? 37.059 52.263 63.195 1.00 33.62 ? 126 VAL A C 1 ATOM 814 O O . VAL A 1 105 ? 36.932 53.189 62.395 1.00 33.95 ? 126 VAL A O 1 ATOM 815 C CB . VAL A 1 105 ? 37.156 50.118 61.849 1.00 29.29 ? 126 VAL A CB 1 ATOM 816 C CG1 . VAL A 1 105 ? 38.653 50.186 62.103 1.00 27.93 ? 126 VAL A CG1 1 ATOM 817 C CG2 . VAL A 1 105 ? 36.687 48.654 61.826 1.00 25.81 ? 126 VAL A CG2 1 ATOM 818 N N . PRO A 1 106 ? 37.746 52.380 64.344 1.00 31.49 ? 127 PRO A N 1 ATOM 819 C CA . PRO A 1 106 ? 38.395 53.632 64.744 1.00 31.70 ? 127 PRO A CA 1 ATOM 820 C C . PRO A 1 106 ? 39.676 53.881 63.944 1.00 34.93 ? 127 PRO A C 1 ATOM 821 O O . PRO A 1 106 ? 40.767 53.489 64.366 1.00 34.63 ? 127 PRO A O 1 ATOM 822 C CB . PRO A 1 106 ? 38.720 53.399 66.223 1.00 29.13 ? 127 PRO A CB 1 ATOM 823 C CG . PRO A 1 106 ? 38.931 51.917 66.325 1.00 32.99 ? 127 PRO A CG 1 ATOM 824 C CD . PRO A 1 106 ? 37.966 51.300 65.328 1.00 33.77 ? 127 PRO A CD 1 ATOM 825 N N . LEU A 1 107 ? 39.528 54.516 62.788 1.00 33.32 ? 128 LEU A N 1 ATOM 826 C CA . LEU A 1 107 ? 40.654 54.816 61.923 1.00 34.16 ? 128 LEU A CA 1 ATOM 827 C C . LEU A 1 107 ? 41.412 56.015 62.488 1.00 36.16 ? 128 LEU A C 1 ATOM 828 O O . LEU A 1 107 ? 40.790 57.013 62.872 1.00 35.38 ? 128 LEU A O 1 ATOM 829 C CB . LEU A 1 107 ? 40.129 55.132 60.525 1.00 35.64 ? 128 LEU A CB 1 ATOM 830 C CG . LEU A 1 107 ? 41.140 55.572 59.476 1.00 36.48 ? 128 LEU A CG 1 ATOM 831 C CD1 . LEU A 1 107 ? 42.178 54.482 59.257 1.00 39.45 ? 128 LEU A CD1 1 ATOM 832 C CD2 . LEU A 1 107 ? 40.417 55.896 58.186 1.00 36.49 ? 128 LEU A CD2 1 ATOM 833 N N . CYS A 1 108 ? 42.744 55.927 62.557 1.00 34.85 ? 129 CYS A N 1 ATOM 834 C CA . CYS A 1 108 ? 43.548 57.042 63.088 1.00 36.01 ? 129 CYS A CA 1 ATOM 835 C C . CYS A 1 108 ? 43.366 58.310 62.253 1.00 33.29 ? 129 CYS A C 1 ATOM 836 O O . CYS A 1 108 ? 43.419 58.265 61.018 1.00 31.32 ? 129 CYS A O 1 ATOM 837 C CB . CYS A 1 108 ? 45.041 56.683 63.152 1.00 37.54 ? 129 CYS A CB 1 ATOM 838 S SG . CYS A 1 108 ? 45.443 55.185 64.116 1.00 40.63 ? 129 CYS A SG 1 ATOM 839 N N . LYS A 1 109 ? 43.170 59.442 62.923 1.00 36.89 ? 130 LYS A N 1 ATOM 840 C CA . LYS A 1 109 ? 42.931 60.712 62.223 1.00 37.69 ? 130 LYS A CA 1 ATOM 841 C C . LYS A 1 109 ? 43.961 61.039 61.127 1.00 38.71 ? 130 LYS A C 1 ATOM 842 O O . LYS A 1 109 ? 43.581 61.424 60.015 1.00 36.50 ? 130 LYS A O 1 ATOM 843 C CB . LYS A 1 109 ? 42.797 61.882 63.212 1.00 40.39 ? 130 LYS A CB 1 ATOM 844 C CG . LYS A 1 109 ? 43.915 61.971 64.247 1.00 45.44 ? 130 LYS A CG 1 ATOM 845 C CD . LYS A 1 109 ? 43.794 63.224 65.108 1.00 46.97 ? 130 LYS A CD 1 ATOM 846 C CE . LYS A 1 109 ? 44.680 63.114 66.336 1.00 47.32 ? 130 LYS A CE 1 ATOM 847 N NZ . LYS A 1 109 ? 44.548 64.291 67.230 1.00 45.44 ? 130 LYS A NZ 1 ATOM 848 N N . GLU A 1 110 ? 45.250 60.878 61.425 1.00 40.02 ? 131 GLU A N 1 ATOM 849 C CA . GLU A 1 110 ? 46.293 61.220 60.451 1.00 41.30 ? 131 GLU A CA 1 ATOM 850 C C . GLU A 1 110 ? 46.158 60.426 59.160 1.00 36.71 ? 131 GLU A C 1 ATOM 851 O O . GLU A 1 110 ? 46.460 60.924 58.072 1.00 38.81 ? 131 GLU A O 1 ATOM 852 C CB . GLU A 1 110 ? 47.700 61.009 61.022 1.00 44.94 ? 131 GLU A CB 1 ATOM 853 C CG . GLU A 1 110 ? 48.094 61.970 62.120 1.00 49.60 ? 131 GLU A CG 1 ATOM 854 C CD . GLU A 1 110 ? 47.595 61.519 63.474 1.00 52.85 ? 131 GLU A CD 1 ATOM 855 O OE1 . GLU A 1 110 ? 47.152 60.347 63.580 1.00 48.71 ? 131 GLU A OE1 1 ATOM 856 O OE2 . GLU A 1 110 ? 47.638 62.336 64.427 1.00 54.90 ? 131 GLU A OE2 1 ATOM 857 N N . ASP A 1 111 ? 45.723 59.182 59.278 1.00 32.67 ? 132 ASP A N 1 ATOM 858 C CA . ASP A 1 111 ? 45.509 58.365 58.091 1.00 37.01 ? 132 ASP A CA 1 ATOM 859 C C . ASP A 1 111 ? 44.384 58.928 57.236 1.00 36.00 ? 132 ASP A C 1 ATOM 860 O O . ASP A 1 111 ? 44.524 59.068 56.019 1.00 34.84 ? 132 ASP A O 1 ATOM 861 C CB . ASP A 1 111 ? 45.230 56.910 58.477 1.00 39.81 ? 132 ASP A CB 1 ATOM 862 C CG . ASP A 1 111 ? 46.490 56.151 58.816 1.00 45.19 ? 132 ASP A CG 1 ATOM 863 O OD1 . ASP A 1 111 ? 47.524 56.392 58.154 1.00 48.63 ? 132 ASP A OD1 1 ATOM 864 O OD2 . ASP A 1 111 ? 46.444 55.318 59.743 1.00 49.42 ? 132 ASP A OD2 1 ATOM 865 N N . CYS A 1 112 ? 43.271 59.263 57.879 1.00 37.04 ? 133 CYS A N 1 ATOM 866 C CA . CYS A 1 112 ? 42.165 59.903 57.180 1.00 37.35 ? 133 CYS A CA 1 ATOM 867 C C . CYS A 1 112 ? 42.617 61.220 56.529 1.00 37.83 ? 133 CYS A C 1 ATOM 868 O O . CYS A 1 112 ? 42.416 61.448 55.335 1.00 36.23 ? 133 CYS A O 1 ATOM 869 C CB . CYS A 1 112 ? 41.001 60.138 58.145 1.00 37.63 ? 133 CYS A CB 1 ATOM 870 S SG . CYS A 1 112 ? 39.550 60.817 57.345 1.00 41.84 ? 133 CYS A SG 1 ATOM 871 N N . GLN A 1 113 ? 43.263 62.065 57.319 1.00 40.47 ? 134 GLN A N 1 ATOM 872 C CA . GLN A 1 113 ? 43.773 63.346 56.843 1.00 39.85 ? 134 GLN A CA 1 ATOM 873 C C . GLN A 1 113 ? 44.642 63.202 55.601 1.00 40.68 ? 134 GLN A C 1 ATOM 874 O O . GLN A 1 113 ? 44.477 63.933 54.625 1.00 41.64 ? 134 GLN A O 1 ATOM 875 C CB . GLN A 1 113 ? 44.582 64.024 57.951 1.00 43.07 ? 134 GLN A CB 1 ATOM 876 C CG . GLN A 1 113 ? 44.937 65.467 57.660 1.00 48.31 ? 134 GLN A CG 1 ATOM 877 C CD . GLN A 1 113 ? 43.721 66.366 57.738 1.00 51.34 ? 134 GLN A CD 1 ATOM 878 O OE1 . GLN A 1 113 ? 42.878 66.205 58.624 1.00 55.02 ? 134 GLN A OE1 1 ATOM 879 N NE2 . GLN A 1 113 ? 43.613 67.307 56.804 1.00 48.85 ? 134 GLN A NE2 1 ATOM 880 N N . ARG A 1 114 ? 45.578 62.259 55.647 1.00 39.25 ? 135 ARG A N 1 ATOM 881 C CA . ARG A 1 114 ? 46.514 62.051 54.544 1.00 37.12 ? 135 ARG A CA 1 ATOM 882 C C . ARG A 1 114 ? 45.804 61.585 53.279 1.00 36.24 ? 135 ARG A C 1 ATOM 883 O O . ARG A 1 114 ? 46.119 62.029 52.169 1.00 38.01 ? 135 ARG A O 1 ATOM 884 C CB . ARG A 1 114 ? 47.578 61.031 54.940 1.00 37.88 ? 135 ARG A CB 1 ATOM 885 C CG . ARG A 1 114 ? 48.589 60.738 53.848 1.00 38.82 ? 135 ARG A CG 1 ATOM 886 C CD . ARG A 1 114 ? 49.373 61.980 53.475 1.00 39.18 ? 135 ARG A CD 1 ATOM 887 N NE . ARG A 1 114 ? 50.508 61.667 52.605 1.00 43.03 ? 135 ARG A NE 1 ATOM 888 C CZ . ARG A 1 114 ? 51.748 61.451 53.033 1.00 43.97 ? 135 ARG A CZ 1 ATOM 889 N NH1 . ARG A 1 114 ? 52.032 61.515 54.330 1.00 40.37 ? 135 ARG A NH1 1 ATOM 890 N NH2 . ARG A 1 114 ? 52.705 61.171 52.162 1.00 49.24 ? 135 ARG A NH2 1 ATOM 891 N N . TRP A 1 115 ? 44.845 60.683 53.464 1.00 33.02 ? 136 TRP A N 1 ATOM 892 C CA . TRP A 1 115 ? 44.037 60.143 52.377 1.00 32.41 ? 136 TRP A CA 1 ATOM 893 C C . TRP A 1 115 ? 43.260 61.263 51.691 1.00 31.56 ? 136 TRP A C 1 ATOM 894 O O . TRP A 1 115 ? 43.319 61.430 50.476 1.00 33.92 ? 136 TRP A O 1 ATOM 895 C CB . TRP A 1 115 ? 43.070 59.092 52.954 1.00 32.41 ? 136 TRP A CB 1 ATOM 896 C CG . TRP A 1 115 ? 42.232 58.364 51.949 1.00 34.44 ? 136 TRP A CG 1 ATOM 897 C CD1 . TRP A 1 115 ? 42.261 58.502 50.585 1.00 34.61 ? 136 TRP A CD1 1 ATOM 898 C CD2 . TRP A 1 115 ? 41.245 57.362 52.230 1.00 34.80 ? 136 TRP A CD2 1 ATOM 899 N NE1 . TRP A 1 115 ? 41.348 57.643 50.009 1.00 34.11 ? 136 TRP A NE1 1 ATOM 900 C CE2 . TRP A 1 115 ? 40.714 56.933 50.997 1.00 33.86 ? 136 TRP A CE2 1 ATOM 901 C CE3 . TRP A 1 115 ? 40.762 56.782 53.409 1.00 35.70 ? 136 TRP A CE3 1 ATOM 902 C CZ2 . TRP A 1 115 ? 39.724 55.964 50.904 1.00 36.20 ? 136 TRP A CZ2 1 ATOM 903 C CZ3 . TRP A 1 115 ? 39.779 55.816 53.322 1.00 36.29 ? 136 TRP A CZ3 1 ATOM 904 C CH2 . TRP A 1 115 ? 39.266 55.417 52.075 1.00 37.85 ? 136 TRP A CH2 1 ATOM 905 N N . TRP A 1 116 ? 42.524 62.026 52.484 1.00 30.95 ? 137 TRP A N 1 ATOM 906 C CA . TRP A 1 116 ? 41.756 63.152 51.976 1.00 29.65 ? 137 TRP A CA 1 ATOM 907 C C . TRP A 1 116 ? 42.646 64.145 51.211 1.00 35.49 ? 137 TRP A C 1 ATOM 908 O O . TRP A 1 116 ? 42.325 64.541 50.086 1.00 37.95 ? 137 TRP A O 1 ATOM 909 C CB . TRP A 1 116 ? 41.053 63.839 53.144 1.00 30.07 ? 137 TRP A CB 1 ATOM 910 C CG . TRP A 1 116 ? 40.080 64.881 52.731 1.00 33.48 ? 137 TRP A CG 1 ATOM 911 C CD1 . TRP A 1 116 ? 38.798 64.686 52.302 1.00 31.67 ? 137 TRP A CD1 1 ATOM 912 C CD2 . TRP A 1 116 ? 40.298 66.295 52.723 1.00 36.00 ? 137 TRP A CD2 1 ATOM 913 N NE1 . TRP A 1 116 ? 38.208 65.893 52.018 1.00 32.56 ? 137 TRP A NE1 1 ATOM 914 C CE2 . TRP A 1 116 ? 39.107 66.896 52.267 1.00 35.61 ? 137 TRP A CE2 1 ATOM 915 C CE3 . TRP A 1 116 ? 41.384 67.111 53.055 1.00 38.64 ? 137 TRP A CE3 1 ATOM 916 C CZ2 . TRP A 1 116 ? 38.973 68.278 52.133 1.00 37.42 ? 137 TRP A CZ2 1 ATOM 917 C CZ3 . TRP A 1 116 ? 41.254 68.480 52.921 1.00 40.28 ? 137 TRP A CZ3 1 ATOM 918 C CH2 . TRP A 1 116 ? 40.057 69.052 52.461 1.00 40.94 ? 137 TRP A CH2 1 ATOM 919 N N . GLU A 1 117 ? 43.773 64.532 51.804 1.00 34.78 ? 138 GLU A N 1 ATOM 920 C CA . GLU A 1 117 ? 44.666 65.501 51.161 1.00 40.81 ? 138 GLU A CA 1 ATOM 921 C C . GLU A 1 117 ? 45.257 64.996 49.843 1.00 40.21 ? 138 GLU A C 1 ATOM 922 O O . GLU A 1 117 ? 45.303 65.721 48.854 1.00 40.01 ? 138 GLU A O 1 ATOM 923 C CB . GLU A 1 117 ? 45.796 65.900 52.112 1.00 44.10 ? 138 GLU A CB 1 ATOM 924 C CG . GLU A 1 117 ? 45.312 66.540 53.399 1.00 50.06 ? 138 GLU A CG 1 ATOM 925 C CD . GLU A 1 117 ? 46.449 66.989 54.297 1.00 58.42 ? 138 GLU A CD 1 ATOM 926 O OE1 . GLU A 1 117 ? 46.192 67.818 55.197 1.00 60.14 ? 138 GLU A OE1 1 ATOM 927 O OE2 . GLU A 1 117 ? 47.596 66.516 54.107 1.00 61.72 ? 138 GLU A OE2 1 ATOM 928 N N . ASP A 1 118 ? 45.711 63.750 49.834 1.00 38.68 ? 139 ASP A N 1 ATOM 929 C CA . ASP A 1 118 ? 46.278 63.177 48.623 1.00 38.07 ? 139 ASP A CA 1 ATOM 930 C C . ASP A 1 118 ? 45.221 62.975 47.525 1.00 37.22 ? 139 ASP A C 1 ATOM 931 O O . ASP A 1 118 ? 45.555 62.855 46.349 1.00 40.73 ? 139 ASP A O 1 ATOM 932 C CB . ASP A 1 118 ? 47.019 61.869 48.934 1.00 36.85 ? 139 ASP A CB 1 ATOM 933 C CG . ASP A 1 118 ? 48.375 62.102 49.598 1.00 41.27 ? 139 ASP A CG 1 ATOM 934 O OD1 . ASP A 1 118 ? 48.843 63.266 49.601 1.00 42.65 ? 139 ASP A OD1 1 ATOM 935 O OD2 . ASP A 1 118 ? 48.987 61.123 50.105 1.00 38.83 ? 139 ASP A OD2 1 ATOM 936 N N . CYS A 1 119 ? 43.948 62.949 47.902 1.00 32.71 ? 140 CYS A N 1 ATOM 937 C CA . CYS A 1 119 ? 42.882 62.727 46.927 1.00 34.62 ? 140 CYS A CA 1 ATOM 938 C C . CYS A 1 119 ? 42.182 64.018 46.508 1.00 38.50 ? 140 CYS A C 1 ATOM 939 O O . CYS A 1 119 ? 41.254 64.008 45.697 1.00 38.83 ? 140 CYS A O 1 ATOM 940 C CB . CYS A 1 119 ? 41.859 61.723 47.466 1.00 34.36 ? 140 CYS A CB 1 ATOM 941 S SG . CYS A 1 119 ? 42.499 60.037 47.480 1.00 37.72 ? 140 CYS A SG 1 ATOM 942 N N . HIS A 1 120 ? 42.648 65.124 47.067 1.00 49.76 ? 141 HIS A N 1 ATOM 943 C CA . HIS A 1 120 ? 42.109 66.448 46.789 1.00 55.66 ? 141 HIS A CA 1 ATOM 944 C C . HIS A 1 120 ? 41.964 66.758 45.302 1.00 52.76 ? 141 HIS A C 1 ATOM 945 O O . HIS A 1 120 ? 40.922 67.222 44.842 1.00 51.99 ? 141 HIS A O 1 ATOM 946 C CB . HIS A 1 120 ? 43.027 67.503 47.411 1.00 63.89 ? 141 HIS A CB 1 ATOM 947 C CG . HIS A 1 120 ? 42.291 68.661 47.985 1.00 72.28 ? 141 HIS A CG 1 ATOM 948 N ND1 . HIS A 1 120 ? 41.500 68.548 49.108 1.00 77.18 ? 141 HIS A ND1 1 ATOM 949 C CD2 . HIS A 1 120 ? 42.197 69.950 47.582 1.00 76.43 ? 141 HIS A CD2 1 ATOM 950 C CE1 . HIS A 1 120 ? 40.962 69.724 49.380 1.00 81.23 ? 141 HIS A CE1 1 ATOM 951 N NE2 . HIS A 1 120 ? 41.369 70.591 48.468 1.00 80.69 ? 141 HIS A NE2 1 ATOM 952 N N . THR A 1 121 ? 43.033 66.512 44.556 1.00 51.31 ? 142 THR A N 1 ATOM 953 C CA . THR A 1 121 ? 43.076 66.844 43.139 1.00 48.22 ? 142 THR A CA 1 ATOM 954 C C . THR A 1 121 ? 42.418 65.782 42.252 1.00 46.28 ? 142 THR A C 1 ATOM 955 O O . THR A 1 121 ? 42.431 65.906 41.028 1.00 47.23 ? 142 THR A O 1 ATOM 956 C CB . THR A 1 121 ? 44.524 67.063 42.660 1.00 48.64 ? 142 THR A CB 1 ATOM 957 O OG1 . THR A 1 121 ? 45.268 65.846 42.813 1.00 48.88 ? 142 THR A OG1 1 ATOM 958 C CG2 . THR A 1 121 ? 45.204 68.185 43.463 1.00 47.72 ? 142 THR A CG2 1 ATOM 959 N N . SER A 1 122 ? 41.854 64.736 42.850 1.00 42.39 ? 143 SER A N 1 ATOM 960 C CA . SER A 1 122 ? 41.149 63.727 42.047 1.00 42.61 ? 143 SER A CA 1 ATOM 961 C C . SER A 1 122 ? 39.654 64.025 41.906 1.00 39.38 ? 143 SER A C 1 ATOM 962 O O . SER A 1 122 ? 39.168 65.050 42.400 1.00 38.93 ? 143 SER A O 1 ATOM 963 C CB . SER A 1 122 ? 41.405 62.309 42.562 1.00 43.33 ? 143 SER A CB 1 ATOM 964 O OG . SER A 1 122 ? 42.741 61.934 42.282 1.00 44.18 ? 143 SER A OG 1 ATOM 965 N N . HIS A 1 123 ? 38.933 63.138 41.223 1.00 36.38 ? 144 HIS A N 1 ATOM 966 C CA . HIS A 1 123 ? 37.539 63.397 40.875 1.00 35.00 ? 144 HIS A CA 1 ATOM 967 C C . HIS A 1 123 ? 36.592 62.235 41.135 1.00 35.99 ? 144 HIS A C 1 ATOM 968 O O . HIS A 1 123 ? 36.997 61.075 41.121 1.00 34.21 ? 144 HIS A O 1 ATOM 969 C CB . HIS A 1 123 ? 37.444 63.840 39.413 1.00 37.52 ? 144 HIS A CB 1 ATOM 970 C CG . HIS A 1 123 ? 38.121 65.137 39.144 1.00 41.76 ? 144 HIS A CG 1 ATOM 971 N ND1 . HIS A 1 123 ? 39.463 65.233 38.808 1.00 42.70 ? 144 HIS A ND1 1 ATOM 972 C CD2 . HIS A 1 123 ? 37.670 66.415 39.188 1.00 42.52 ? 144 HIS A CD2 1 ATOM 973 C CE1 . HIS A 1 123 ? 39.790 66.492 38.647 1.00 41.36 ? 144 HIS A CE1 1 ATOM 974 N NE2 . HIS A 1 123 ? 38.712 67.240 38.875 1.00 41.92 ? 144 HIS A NE2 1 ATOM 975 N N . THR A 1 124 ? 35.324 62.561 41.375 1.00 35.86 ? 145 THR A N 1 ATOM 976 C CA . THR A 1 124 ? 34.293 61.545 41.557 1.00 35.37 ? 145 THR A CA 1 ATOM 977 C C . THR A 1 124 ? 32.885 62.086 41.275 1.00 36.52 ? 145 THR A C 1 ATOM 978 O O . THR A 1 124 ? 32.697 63.282 41.030 1.00 38.89 ? 145 THR A O 1 ATOM 979 C CB . THR A 1 124 ? 34.372 60.890 42.965 1.00 37.20 ? 145 THR A CB 1 ATOM 980 O OG1 . THR A 1 124 ? 33.547 59.715 43.005 1.00 37.04 ? 145 THR A OG1 1 ATOM 981 C CG2 . THR A 1 124 ? 33.939 61.870 44.051 1.00 30.75 ? 145 THR A CG2 1 ATOM 982 N N . CYS A 1 125 ? 31.902 61.196 41.307 1.00 29.91 ? 146 CYS A N 1 ATOM 983 C CA . CYS A 1 125 ? 30.521 61.576 41.028 1.00 34.31 ? 146 CYS A CA 1 ATOM 984 C C . CYS A 1 125 ? 29.568 61.167 42.147 1.00 38.68 ? 146 CYS A C 1 ATOM 985 O O . CYS A 1 125 ? 28.386 61.494 42.105 1.00 42.77 ? 146 CYS A O 1 ATOM 986 C CB . CYS A 1 125 ? 30.051 60.994 39.687 1.00 29.92 ? 146 CYS A CB 1 ATOM 987 S SG . CYS A 1 125 ? 30.167 59.168 39.548 1.00 38.03 ? 146 CYS A SG 1 ATOM 988 N N . LYS A 1 126 ? 30.088 60.466 43.152 1.00 40.26 ? 147 LYS A N 1 ATOM 989 C CA . LYS A 1 126 ? 29.265 59.979 44.259 1.00 37.93 ? 147 LYS A CA 1 ATOM 990 C C . LYS A 1 126 ? 29.996 60.052 45.599 1.00 36.83 ? 147 LYS A C 1 ATOM 991 O O . LYS A 1 126 ? 31.224 60.003 45.646 1.00 36.27 ? 147 LYS A O 1 ATOM 992 C CB . LYS A 1 126 ? 28.818 58.535 43.990 1.00 39.03 ? 147 LYS A CB 1 ATOM 993 C CG . LYS A 1 126 ? 27.678 58.385 42.998 1.00 36.62 ? 147 LYS A CG 1 ATOM 994 C CD . LYS A 1 126 ? 27.531 56.912 42.588 1.00 33.49 ? 147 LYS A CD 1 ATOM 995 C CE . LYS A 1 126 ? 27.491 56.002 43.807 1.00 33.51 ? 147 LYS A CE 1 ATOM 996 N NZ . LYS A 1 126 ? 26.385 56.361 44.745 1.00 37.99 ? 147 LYS A NZ 1 ATOM 997 N N . SER A 1 127 ? 29.233 60.163 46.687 1.00 37.27 ? 148 SER A N 1 ATOM 998 C CA . SER A 1 127 ? 29.805 60.240 48.036 1.00 39.38 ? 148 SER A CA 1 ATOM 999 C C . SER A 1 127 ? 29.686 58.906 48.772 1.00 40.93 ? 148 SER A C 1 ATOM 1000 O O . SER A 1 127 ? 30.304 58.707 49.818 1.00 40.00 ? 148 SER A O 1 ATOM 1001 C CB . SER A 1 127 ? 29.131 61.349 48.842 1.00 43.29 ? 148 SER A CB 1 ATOM 1002 O OG . SER A 1 127 ? 27.777 61.028 49.108 1.00 47.06 ? 148 SER A OG 1 ATOM 1003 N N . ASN A 1 128 ? 28.869 58.006 48.226 1.00 40.20 ? 149 ASN A N 1 ATOM 1004 C CA . ASN A 1 128 ? 28.757 56.645 48.737 1.00 38.47 ? 149 ASN A CA 1 ATOM 1005 C C . ASN A 1 128 ? 29.108 55.691 47.615 1.00 37.02 ? 149 ASN A C 1 ATOM 1006 O O . ASN A 1 128 ? 28.355 55.574 46.645 1.00 34.57 ? 149 ASN A O 1 ATOM 1007 C CB . ASN A 1 128 ? 27.330 56.371 49.225 1.00 42.43 ? 149 ASN A CB 1 ATOM 1008 C CG . ASN A 1 128 ? 27.174 54.991 49.858 1.00 41.60 ? 149 ASN A CG 1 ATOM 1009 O OD1 . ASN A 1 128 ? 27.795 54.016 49.427 1.00 39.26 ? 149 ASN A OD1 1 ATOM 1010 N ND2 . ASN A 1 128 ? 26.346 54.912 50.897 1.00 41.26 ? 149 ASN A ND2 1 ATOM 1011 N N . TRP A 1 129 ? 30.246 55.008 47.738 1.00 37.07 ? 150 TRP A N 1 ATOM 1012 C CA . TRP A 1 129 ? 30.715 54.141 46.661 1.00 37.69 ? 150 TRP A CA 1 ATOM 1013 C C . TRP A 1 129 ? 30.228 52.691 46.762 1.00 36.61 ? 150 TRP A C 1 ATOM 1014 O O . TRP A 1 129 ? 30.541 51.873 45.897 1.00 37.09 ? 150 TRP A O 1 ATOM 1015 C CB . TRP A 1 129 ? 32.244 54.163 46.563 1.00 40.48 ? 150 TRP A CB 1 ATOM 1016 C CG . TRP A 1 129 ? 32.813 55.452 46.062 1.00 39.14 ? 150 TRP A CG 1 ATOM 1017 C CD1 . TRP A 1 129 ? 32.171 56.656 45.962 1.00 38.77 ? 150 TRP A CD1 1 ATOM 1018 C CD2 . TRP A 1 129 ? 34.150 55.662 45.577 1.00 35.13 ? 150 TRP A CD2 1 ATOM 1019 N NE1 . TRP A 1 129 ? 33.030 57.601 45.450 1.00 38.51 ? 150 TRP A NE1 1 ATOM 1020 C CE2 . TRP A 1 129 ? 34.244 57.024 45.209 1.00 36.29 ? 150 TRP A CE2 1 ATOM 1021 C CE3 . TRP A 1 129 ? 35.267 54.837 45.427 1.00 34.84 ? 150 TRP A CE3 1 ATOM 1022 C CZ2 . TRP A 1 129 ? 35.428 57.577 44.694 1.00 32.30 ? 150 TRP A CZ2 1 ATOM 1023 C CZ3 . TRP A 1 129 ? 36.445 55.390 44.916 1.00 34.39 ? 150 TRP A CZ3 1 ATOM 1024 C CH2 . TRP A 1 129 ? 36.510 56.745 44.551 1.00 34.53 ? 150 TRP A CH2 1 ATOM 1025 N N . HIS A 1 130 ? 29.478 52.364 47.812 1.00 30.22 ? 151 HIS A N 1 ATOM 1026 C CA . HIS A 1 130 ? 28.907 51.015 47.929 1.00 34.62 ? 151 HIS A CA 1 ATOM 1027 C C . HIS A 1 130 ? 27.596 50.854 47.149 1.00 41.43 ? 151 HIS A C 1 ATOM 1028 O O . HIS A 1 130 ? 27.316 49.769 46.632 1.00 46.64 ? 151 HIS A O 1 ATOM 1029 C CB . HIS A 1 130 ? 28.687 50.619 49.396 1.00 35.17 ? 151 HIS A CB 1 ATOM 1030 C CG . HIS A 1 130 ? 29.883 50.008 50.049 1.00 33.24 ? 151 HIS A CG 1 ATOM 1031 N ND1 . HIS A 1 130 ? 30.275 50.339 51.338 1.00 32.70 ? 151 HIS A ND1 1 ATOM 1032 C CD2 . HIS A 1 130 ? 30.761 49.068 49.633 1.00 33.19 ? 151 HIS A CD2 1 ATOM 1033 C CE1 . HIS A 1 130 ? 31.339 49.644 51.667 1.00 30.80 ? 151 HIS A CE1 1 ATOM 1034 N NE2 . HIS A 1 130 ? 31.661 48.855 50.643 1.00 31.39 ? 151 HIS A NE2 1 ATOM 1035 N N . ARG A 1 131 ? 26.806 51.927 47.058 1.00 43.56 ? 152 ARG A N 1 ATOM 1036 C CA . ARG A 1 131 ? 25.460 51.857 46.479 1.00 44.85 ? 152 ARG A CA 1 ATOM 1037 C C . ARG A 1 131 ? 25.156 52.967 45.479 1.00 46.38 ? 152 ARG A C 1 ATOM 1038 O O . ARG A 1 131 ? 25.406 54.146 45.750 1.00 45.09 ? 152 ARG A O 1 ATOM 1039 C CB . ARG A 1 131 ? 24.411 51.922 47.593 1.00 45.51 ? 152 ARG A CB 1 ATOM 1040 C CG . ARG A 1 131 ? 24.310 50.669 48.418 1.00 51.40 ? 152 ARG A CG 1 ATOM 1041 C CD . ARG A 1 131 ? 23.109 50.740 49.329 1.00 56.75 ? 152 ARG A CD 1 ATOM 1042 N NE . ARG A 1 131 ? 23.178 49.723 50.371 1.00 61.41 ? 152 ARG A NE 1 ATOM 1043 C CZ . ARG A 1 131 ? 22.841 48.451 50.190 1.00 63.39 ? 152 ARG A CZ 1 ATOM 1044 N NH1 . ARG A 1 131 ? 22.409 48.043 49.002 1.00 64.29 ? 152 ARG A NH1 1 ATOM 1045 N NH2 . ARG A 1 131 ? 22.938 47.591 51.195 1.00 62.15 ? 152 ARG A NH2 1 ATOM 1046 N N . GLY A 1 132 ? 24.615 52.590 44.323 1.00 44.72 ? 153 GLY A N 1 ATOM 1047 C CA . GLY A 1 132 ? 24.123 53.574 43.374 1.00 43.34 ? 153 GLY A CA 1 ATOM 1048 C C . GLY A 1 132 ? 24.733 53.585 41.986 1.00 42.89 ? 153 GLY A C 1 ATOM 1049 O O . GLY A 1 132 ? 24.253 54.312 41.123 1.00 45.42 ? 153 GLY A O 1 ATOM 1050 N N . TRP A 1 133 ? 25.774 52.789 41.755 1.00 39.63 ? 154 TRP A N 1 ATOM 1051 C CA . TRP A 1 133 ? 26.469 52.806 40.462 1.00 38.57 ? 154 TRP A CA 1 ATOM 1052 C C . TRP A 1 133 ? 25.618 52.237 39.337 1.00 41.76 ? 154 TRP A C 1 ATOM 1053 O O . TRP A 1 133 ? 24.668 51.491 39.581 1.00 42.20 ? 154 TRP A O 1 ATOM 1054 C CB . TRP A 1 133 ? 27.786 52.022 40.537 1.00 35.17 ? 154 TRP A CB 1 ATOM 1055 C CG . TRP A 1 133 ? 28.737 52.583 41.542 1.00 35.24 ? 154 TRP A CG 1 ATOM 1056 C CD1 . TRP A 1 133 ? 28.958 52.118 42.806 1.00 35.13 ? 154 TRP A CD1 1 ATOM 1057 C CD2 . TRP A 1 133 ? 29.589 53.727 41.379 1.00 34.67 ? 154 TRP A CD2 1 ATOM 1058 N NE1 . TRP A 1 133 ? 29.895 52.900 43.439 1.00 36.19 ? 154 TRP A NE1 1 ATOM 1059 C CE2 . TRP A 1 133 ? 30.302 53.892 42.587 1.00 34.57 ? 154 TRP A CE2 1 ATOM 1060 C CE3 . TRP A 1 133 ? 29.819 54.626 40.331 1.00 36.64 ? 154 TRP A CE3 1 ATOM 1061 C CZ2 . TRP A 1 133 ? 31.233 54.922 42.779 1.00 35.49 ? 154 TRP A CZ2 1 ATOM 1062 C CZ3 . TRP A 1 133 ? 30.746 55.654 40.517 1.00 34.45 ? 154 TRP A CZ3 1 ATOM 1063 C CH2 . TRP A 1 133 ? 31.439 55.794 41.736 1.00 34.29 ? 154 TRP A CH2 1 ATOM 1064 N N . ASP A 1 134 ? 25.964 52.592 38.100 1.00 43.67 ? 155 ASP A N 1 ATOM 1065 C CA . ASP A 1 134 ? 25.403 51.932 36.922 1.00 45.82 ? 155 ASP A CA 1 ATOM 1066 C C . ASP A 1 134 ? 26.320 50.774 36.509 1.00 46.96 ? 155 ASP A C 1 ATOM 1067 O O . ASP A 1 134 ? 27.382 50.982 35.906 1.00 45.36 ? 155 ASP A O 1 ATOM 1068 C CB . ASP A 1 134 ? 25.216 52.925 35.774 1.00 50.47 ? 155 ASP A CB 1 ATOM 1069 C CG . ASP A 1 134 ? 24.863 52.245 34.460 1.00 54.90 ? 155 ASP A CG 1 ATOM 1070 O OD1 . ASP A 1 134 ? 24.337 51.108 34.499 1.00 57.09 ? 155 ASP A OD1 1 ATOM 1071 O OD2 . ASP A 1 134 ? 25.113 52.841 33.389 1.00 55.71 ? 155 ASP A OD2 1 ATOM 1072 N N . TRP A 1 135 ? 25.898 49.555 36.840 1.00 47.13 ? 156 TRP A N 1 ATOM 1073 C CA . TRP A 1 135 ? 26.711 48.354 36.629 1.00 44.75 ? 156 TRP A CA 1 ATOM 1074 C C . TRP A 1 135 ? 26.389 47.623 35.327 1.00 46.99 ? 156 TRP A C 1 ATOM 1075 O O . TRP A 1 135 ? 26.955 46.562 35.042 1.00 50.78 ? 156 TRP A O 1 ATOM 1076 C CB . TRP A 1 135 ? 26.516 47.376 37.795 1.00 38.99 ? 156 TRP A CB 1 ATOM 1077 C CG . TRP A 1 135 ? 27.254 47.752 39.050 1.00 39.35 ? 156 TRP A CG 1 ATOM 1078 C CD1 . TRP A 1 135 ? 26.717 48.291 40.188 1.00 38.37 ? 156 TRP A CD1 1 ATOM 1079 C CD2 . TRP A 1 135 ? 28.659 47.614 39.300 1.00 40.05 ? 156 TRP A CD2 1 ATOM 1080 N NE1 . TRP A 1 135 ? 27.697 48.491 41.127 1.00 37.11 ? 156 TRP A NE1 1 ATOM 1081 C CE2 . TRP A 1 135 ? 28.904 48.087 40.607 1.00 38.73 ? 156 TRP A CE2 1 ATOM 1082 C CE3 . TRP A 1 135 ? 29.741 47.129 38.546 1.00 39.06 ? 156 TRP A CE3 1 ATOM 1083 C CZ2 . TRP A 1 135 ? 30.185 48.097 41.181 1.00 37.74 ? 156 TRP A CZ2 1 ATOM 1084 C CZ3 . TRP A 1 135 ? 31.018 47.139 39.114 1.00 34.15 ? 156 TRP A CZ3 1 ATOM 1085 C CH2 . TRP A 1 135 ? 31.226 47.617 40.417 1.00 34.79 ? 156 TRP A CH2 1 ATOM 1086 N N . THR A 1 136 ? 25.486 48.186 34.538 1.00 47.96 ? 157 THR A N 1 ATOM 1087 C CA . THR A 1 136 ? 24.966 47.482 33.372 1.00 46.68 ? 157 THR A CA 1 ATOM 1088 C C . THR A 1 136 ? 26.009 47.237 32.287 1.00 45.54 ? 157 THR A C 1 ATOM 1089 O O . THR A 1 136 ? 25.770 46.442 31.372 1.00 46.33 ? 157 THR A O 1 ATOM 1090 C CB . THR A 1 136 ? 23.758 48.206 32.767 1.00 46.73 ? 157 THR A CB 1 ATOM 1091 O OG1 . THR A 1 136 ? 24.090 49.581 32.536 1.00 44.78 ? 157 THR A OG1 1 ATOM 1092 C CG2 . THR A 1 136 ? 22.555 48.120 33.718 1.00 48.11 ? 157 THR A CG2 1 ATOM 1093 N N . SER A 1 137 ? 27.155 47.910 32.376 1.00 43.46 ? 158 SER A N 1 ATOM 1094 C CA . SER A 1 137 ? 28.262 47.614 31.465 1.00 48.59 ? 158 SER A CA 1 ATOM 1095 C C . SER A 1 137 ? 29.204 46.572 32.082 1.00 49.33 ? 158 SER A C 1 ATOM 1096 O O . SER A 1 137 ? 30.118 46.078 31.421 1.00 49.78 ? 158 SER A O 1 ATOM 1097 C CB . SER A 1 137 ? 29.035 48.881 31.090 1.00 49.98 ? 158 SER A CB 1 ATOM 1098 O OG . SER A 1 137 ? 29.807 49.346 32.185 1.00 52.46 ? 158 SER A OG 1 ATOM 1099 N N . GLY A 1 138 ? 28.979 46.245 33.350 1.00 46.79 ? 159 GLY A N 1 ATOM 1100 C CA . GLY A 1 138 ? 29.820 45.279 34.028 1.00 45.44 ? 159 GLY A CA 1 ATOM 1101 C C . GLY A 1 138 ? 30.784 45.920 35.008 1.00 46.76 ? 159 GLY A C 1 ATOM 1102 O O . GLY A 1 138 ? 31.231 45.267 35.959 1.00 46.87 ? 159 GLY A O 1 ATOM 1103 N N . VAL A 1 139 ? 31.124 47.187 34.770 1.00 45.91 ? 160 VAL A N 1 ATOM 1104 C CA . VAL A 1 139 ? 31.896 47.967 35.738 1.00 43.48 ? 160 VAL A CA 1 ATOM 1105 C C . VAL A 1 139 ? 31.101 49.203 36.155 1.00 43.00 ? 160 VAL A C 1 ATOM 1106 O O . VAL A 1 139 ? 30.243 49.673 35.408 1.00 44.57 ? 160 VAL A O 1 ATOM 1107 C CB . VAL A 1 139 ? 33.306 48.353 35.199 1.00 39.90 ? 160 VAL A CB 1 ATOM 1108 C CG1 . VAL A 1 139 ? 33.920 47.190 34.444 1.00 39.24 ? 160 VAL A CG1 1 ATOM 1109 C CG2 . VAL A 1 139 ? 33.224 49.572 34.304 1.00 42.48 ? 160 VAL A CG2 1 ATOM 1110 N N . ASN A 1 140 ? 31.370 49.712 37.351 1.00 39.27 ? 161 ASN A N 1 ATOM 1111 C CA . ASN A 1 140 ? 30.593 50.832 37.872 1.00 38.08 ? 161 ASN A CA 1 ATOM 1112 C C . ASN A 1 140 ? 30.784 52.101 37.043 1.00 38.47 ? 161 ASN A C 1 ATOM 1113 O O . ASN A 1 140 ? 31.910 52.506 36.763 1.00 39.24 ? 161 ASN A O 1 ATOM 1114 C CB . ASN A 1 140 ? 30.938 51.105 39.339 1.00 37.01 ? 161 ASN A CB 1 ATOM 1115 C CG . ASN A 1 140 ? 32.409 51.440 39.535 1.00 36.93 ? 161 ASN A CG 1 ATOM 1116 O OD1 . ASN A 1 140 ? 33.285 50.573 39.384 1.00 36.65 ? 161 ASN A OD1 1 ATOM 1117 N ND2 . ASN A 1 140 ? 32.689 52.699 39.867 1.00 32.19 ? 161 ASN A ND2 1 ATOM 1118 N N . LYS A 1 141 ? 29.676 52.708 36.632 1.00 38.36 ? 162 LYS A N 1 ATOM 1119 C CA . LYS A 1 141 ? 29.701 53.991 35.942 1.00 42.49 ? 162 LYS A CA 1 ATOM 1120 C C . LYS A 1 141 ? 28.765 54.973 36.647 1.00 42.40 ? 162 LYS A C 1 ATOM 1121 O O . LYS A 1 141 ? 27.772 54.573 37.251 1.00 42.58 ? 162 LYS A O 1 ATOM 1122 C CB . LYS A 1 141 ? 29.282 53.832 34.478 1.00 46.37 ? 162 LYS A CB 1 ATOM 1123 C CG . LYS A 1 141 ? 30.230 53.023 33.622 1.00 49.51 ? 162 LYS A CG 1 ATOM 1124 C CD . LYS A 1 141 ? 29.601 52.721 32.266 1.00 54.27 ? 162 LYS A CD 1 ATOM 1125 C CE . LYS A 1 141 ? 30.304 53.458 31.142 1.00 57.94 ? 162 LYS A CE 1 ATOM 1126 N NZ . LYS A 1 141 ? 31.669 52.902 30.883 1.00 60.39 ? 162 LYS A NZ 1 ATOM 1127 N N . CYS A 1 142 ? 29.078 56.258 36.570 1.00 40.83 ? 163 CYS A N 1 ATOM 1128 C CA . CYS A 1 142 ? 28.259 57.252 37.246 1.00 42.18 ? 163 CYS A CA 1 ATOM 1129 C C . CYS A 1 142 ? 26.790 57.098 36.859 1.00 39.16 ? 163 CYS A C 1 ATOM 1130 O O . CYS A 1 142 ? 26.455 56.981 35.679 1.00 40.83 ? 163 CYS A O 1 ATOM 1131 C CB . CYS A 1 142 ? 28.761 58.659 36.929 1.00 43.07 ? 163 CYS A CB 1 ATOM 1132 S SG . CYS A 1 142 ? 30.438 58.928 37.542 1.00 44.27 ? 163 CYS A SG 1 ATOM 1133 N N . PRO A 1 143 ? 25.910 57.065 37.864 1.00 36.12 ? 164 PRO A N 1 ATOM 1134 C CA . PRO A 1 143 ? 24.470 56.925 37.593 1.00 35.73 ? 164 PRO A CA 1 ATOM 1135 C C . PRO A 1 143 ? 23.885 58.243 37.096 1.00 37.88 ? 164 PRO A C 1 ATOM 1136 O O . PRO A 1 143 ? 24.578 59.264 37.047 1.00 37.01 ? 164 PRO A O 1 ATOM 1137 C CB . PRO A 1 143 ? 23.887 56.595 38.965 1.00 34.57 ? 164 PRO A CB 1 ATOM 1138 C CG . PRO A 1 143 ? 24.876 57.206 39.961 1.00 36.21 ? 164 PRO A CG 1 ATOM 1139 C CD . PRO A 1 143 ? 26.231 57.080 39.305 1.00 32.77 ? 164 PRO A CD 1 ATOM 1140 N N . ALA A 1 144 ? 22.609 58.211 36.730 1.00 39.82 ? 165 ALA A N 1 ATOM 1141 C CA . ALA A 1 144 ? 21.896 59.416 36.331 1.00 38.45 ? 165 ALA A CA 1 ATOM 1142 C C . ALA A 1 144 ? 21.885 60.422 37.480 1.00 36.55 ? 165 ALA A C 1 ATOM 1143 O O . ALA A 1 144 ? 21.702 60.043 38.647 1.00 35.65 ? 165 ALA A O 1 ATOM 1144 C CB . ALA A 1 144 ? 20.478 59.077 35.903 1.00 37.12 ? 165 ALA A CB 1 ATOM 1145 N N . GLY A 1 145 ? 22.089 61.699 37.156 1.00 36.35 ? 166 GLY A N 1 ATOM 1146 C CA . GLY A 1 145 ? 22.070 62.746 38.169 1.00 36.11 ? 166 GLY A CA 1 ATOM 1147 C C . GLY A 1 145 ? 23.406 62.970 38.864 1.00 38.73 ? 166 GLY A C 1 ATOM 1148 O O . GLY A 1 145 ? 23.610 64.000 39.519 1.00 41.40 ? 166 GLY A O 1 ATOM 1149 N N . ALA A 1 146 ? 24.317 62.009 38.721 1.00 36.27 ? 167 ALA A N 1 ATOM 1150 C CA . ALA A 1 146 ? 25.642 62.101 39.346 1.00 39.21 ? 167 ALA A CA 1 ATOM 1151 C C . ALA A 1 146 ? 26.672 62.752 38.410 1.00 39.52 ? 167 ALA A C 1 ATOM 1152 O O . ALA A 1 146 ? 27.035 62.187 37.385 1.00 39.89 ? 167 ALA A O 1 ATOM 1153 C CB . ALA A 1 146 ? 26.117 60.731 39.789 1.00 36.32 ? 167 ALA A CB 1 ATOM 1154 N N . LEU A 1 147 ? 27.147 63.938 38.766 1.00 41.45 ? 168 LEU A N 1 ATOM 1155 C CA . LEU A 1 147 ? 28.119 64.634 37.934 1.00 40.07 ? 168 LEU A CA 1 ATOM 1156 C C . LEU A 1 147 ? 29.514 64.409 38.480 1.00 38.43 ? 168 LEU A C 1 ATOM 1157 O O . LEU A 1 147 ? 29.695 64.253 39.692 1.00 41.59 ? 168 LEU A O 1 ATOM 1158 C CB . LEU A 1 147 ? 27.841 66.138 37.907 1.00 41.35 ? 168 LEU A CB 1 ATOM 1159 C CG . LEU A 1 147 ? 26.709 66.654 37.026 1.00 41.41 ? 168 LEU A CG 1 ATOM 1160 C CD1 . LEU A 1 147 ? 26.737 68.171 36.999 1.00 38.80 ? 168 LEU A CD1 1 ATOM 1161 C CD2 . LEU A 1 147 ? 26.830 66.097 35.617 1.00 41.79 ? 168 LEU A CD2 1 ATOM 1162 N N . CYS A 1 148 ? 30.508 64.395 37.599 1.00 33.83 ? 169 CYS A N 1 ATOM 1163 C CA . CYS A 1 148 ? 31.883 64.364 38.077 1.00 32.75 ? 169 CYS A CA 1 ATOM 1164 C C . CYS A 1 148 ? 32.246 65.739 38.615 1.00 36.11 ? 169 CYS A C 1 ATOM 1165 O O . CYS A 1 148 ? 31.887 66.766 38.032 1.00 34.71 ? 169 CYS A O 1 ATOM 1166 C CB . CYS A 1 148 ? 32.850 63.928 36.980 1.00 31.01 ? 169 CYS A CB 1 ATOM 1167 S SG . CYS A 1 148 ? 32.771 62.148 36.610 1.00 43.79 ? 169 CYS A SG 1 ATOM 1168 N N . ARG A 1 149 ? 32.923 65.735 39.758 1.00 38.24 ? 170 ARG A N 1 ATOM 1169 C CA . ARG A 1 149 ? 33.376 66.944 40.432 1.00 39.73 ? 170 ARG A CA 1 ATOM 1170 C C . ARG A 1 149 ? 34.661 66.574 41.167 1.00 38.62 ? 170 ARG A C 1 ATOM 1171 O O . ARG A 1 149 ? 35.040 65.410 41.201 1.00 35.45 ? 170 ARG A O 1 ATOM 1172 C CB . ARG A 1 149 ? 32.323 67.430 41.437 1.00 36.73 ? 170 ARG A CB 1 ATOM 1173 C CG . ARG A 1 149 ? 30.926 67.630 40.876 1.00 40.13 ? 170 ARG A CG 1 ATOM 1174 C CD . ARG A 1 149 ? 29.915 67.803 41.996 1.00 37.83 ? 170 ARG A CD 1 ATOM 1175 N NE . ARG A 1 149 ? 28.547 67.531 41.569 1.00 37.61 ? 170 ARG A NE 1 ATOM 1176 C CZ . ARG A 1 149 ? 27.689 68.456 41.141 1.00 38.12 ? 170 ARG A CZ 1 ATOM 1177 N NH1 . ARG A 1 149 ? 28.054 69.734 41.076 1.00 34.68 ? 170 ARG A NH1 1 ATOM 1178 N NH2 . ARG A 1 149 ? 26.465 68.095 40.774 1.00 29.65 ? 170 ARG A NH2 1 ATOM 1179 N N . THR A 1 150 ? 35.321 67.559 41.761 1.00 38.30 ? 171 THR A N 1 ATOM 1180 C CA . THR A 1 150 ? 36.459 67.295 42.631 1.00 41.51 ? 171 THR A CA 1 ATOM 1181 C C . THR A 1 150 ? 36.054 66.427 43.831 1.00 41.80 ? 171 THR A C 1 ATOM 1182 O O . THR A 1 150 ? 34.878 66.400 44.219 1.00 40.29 ? 171 THR A O 1 ATOM 1183 C CB . THR A 1 150 ? 37.066 68.613 43.132 1.00 44.07 ? 171 THR A CB 1 ATOM 1184 O OG1 . THR A 1 150 ? 36.076 69.335 43.877 1.00 43.06 ? 171 THR A OG1 1 ATOM 1185 C CG2 . THR A 1 150 ? 37.517 69.457 41.964 1.00 44.65 ? 171 THR A CG2 1 ATOM 1186 N N . PHE A 1 151 ? 37.024 65.732 44.422 1.00 40.12 ? 172 PHE A N 1 ATOM 1187 C CA . PHE A 1 151 ? 36.773 64.957 45.636 1.00 40.77 ? 172 PHE A CA 1 ATOM 1188 C C . PHE A 1 151 ? 36.232 65.870 46.724 1.00 43.75 ? 172 PHE A C 1 ATOM 1189 O O . PHE A 1 151 ? 35.299 65.522 47.449 1.00 42.73 ? 172 PHE A O 1 ATOM 1190 C CB . PHE A 1 151 ? 38.063 64.296 46.125 1.00 38.43 ? 172 PHE A CB 1 ATOM 1191 C CG . PHE A 1 151 ? 38.134 62.812 45.850 1.00 34.19 ? 172 PHE A CG 1 ATOM 1192 C CD1 . PHE A 1 151 ? 38.280 61.903 46.892 1.00 32.17 ? 172 PHE A CD1 1 ATOM 1193 C CD2 . PHE A 1 151 ? 38.050 62.328 44.553 1.00 34.02 ? 172 PHE A CD2 1 ATOM 1194 C CE1 . PHE A 1 151 ? 38.351 60.524 46.638 1.00 32.51 ? 172 PHE A CE1 1 ATOM 1195 C CE2 . PHE A 1 151 ? 38.116 60.954 44.289 1.00 35.25 ? 172 PHE A CE2 1 ATOM 1196 C CZ . PHE A 1 151 ? 38.268 60.054 45.331 1.00 32.26 ? 172 PHE A CZ 1 ATOM 1197 N N . GLU A 1 152 ? 36.844 67.042 46.840 1.00 45.78 ? 173 GLU A N 1 ATOM 1198 C CA . GLU A 1 152 ? 36.439 68.023 47.829 1.00 50.91 ? 173 GLU A CA 1 ATOM 1199 C C . GLU A 1 152 ? 34.953 68.367 47.737 1.00 47.08 ? 173 GLU A C 1 ATOM 1200 O O . GLU A 1 152 ? 34.312 68.677 48.746 1.00 46.39 ? 173 GLU A O 1 ATOM 1201 C CB . GLU A 1 152 ? 37.271 69.292 47.670 1.00 56.93 ? 173 GLU A CB 1 ATOM 1202 C CG . GLU A 1 152 ? 36.900 70.374 48.646 1.00 61.69 ? 173 GLU A CG 1 ATOM 1203 C CD . GLU A 1 152 ? 37.961 71.444 48.741 1.00 66.96 ? 173 GLU A CD 1 ATOM 1204 O OE1 . GLU A 1 152 ? 38.835 71.499 47.841 1.00 68.98 ? 173 GLU A OE1 1 ATOM 1205 O OE2 . GLU A 1 152 ? 37.923 72.221 49.721 1.00 67.84 ? 173 GLU A OE2 1 ATOM 1206 N N . SER A 1 153 ? 34.406 68.315 46.529 1.00 43.35 ? 174 SER A N 1 ATOM 1207 C CA . SER A 1 153 ? 32.986 68.595 46.349 1.00 45.91 ? 174 SER A CA 1 ATOM 1208 C C . SER A 1 153 ? 32.096 67.542 47.033 1.00 45.58 ? 174 SER A C 1 ATOM 1209 O O . SER A 1 153 ? 31.150 67.887 47.747 1.00 47.34 ? 174 SER A O 1 ATOM 1210 C CB . SER A 1 153 ? 32.644 68.737 44.865 1.00 49.06 ? 174 SER A CB 1 ATOM 1211 O OG . SER A 1 153 ? 31.245 68.686 44.668 1.00 53.56 ? 174 SER A OG 1 ATOM 1212 N N . TYR A 1 154 ? 32.403 66.264 46.829 1.00 44.19 ? 175 TYR A N 1 ATOM 1213 C CA . TYR A 1 154 ? 31.608 65.187 47.430 1.00 40.47 ? 175 TYR A CA 1 ATOM 1214 C C . TYR A 1 154 ? 32.041 64.844 48.847 1.00 39.99 ? 175 TYR A C 1 ATOM 1215 O O . TYR A 1 154 ? 31.273 64.249 49.603 1.00 40.20 ? 175 TYR A O 1 ATOM 1216 C CB . TYR A 1 154 ? 31.626 63.945 46.541 1.00 35.22 ? 175 TYR A CB 1 ATOM 1217 C CG . TYR A 1 154 ? 30.764 64.105 45.321 1.00 35.66 ? 175 TYR A CG 1 ATOM 1218 C CD1 . TYR A 1 154 ? 29.380 64.038 45.420 1.00 34.99 ? 175 TYR A CD1 1 ATOM 1219 C CD2 . TYR A 1 154 ? 31.325 64.350 44.076 1.00 33.01 ? 175 TYR A CD2 1 ATOM 1220 C CE1 . TYR A 1 154 ? 28.572 64.196 44.306 1.00 35.49 ? 175 TYR A CE1 1 ATOM 1221 C CE2 . TYR A 1 154 ? 30.527 64.512 42.953 1.00 33.74 ? 175 TYR A CE2 1 ATOM 1222 C CZ . TYR A 1 154 ? 29.149 64.433 43.077 1.00 36.75 ? 175 TYR A CZ 1 ATOM 1223 O OH . TYR A 1 154 ? 28.340 64.597 41.975 1.00 38.24 ? 175 TYR A OH 1 ATOM 1224 N N . PHE A 1 155 ? 33.268 65.238 49.193 1.00 35.98 ? 176 PHE A N 1 ATOM 1225 C CA . PHE A 1 155 ? 33.832 65.003 50.520 1.00 33.41 ? 176 PHE A CA 1 ATOM 1226 C C . PHE A 1 155 ? 34.513 66.260 51.046 1.00 35.80 ? 176 PHE A C 1 ATOM 1227 O O . PHE A 1 155 ? 35.734 66.386 50.956 1.00 37.11 ? 176 PHE A O 1 ATOM 1228 C CB . PHE A 1 155 ? 34.856 63.876 50.468 1.00 33.36 ? 176 PHE A CB 1 ATOM 1229 C CG . PHE A 1 155 ? 34.348 62.619 49.806 1.00 35.29 ? 176 PHE A CG 1 ATOM 1230 C CD1 . PHE A 1 155 ? 33.322 61.877 50.389 1.00 35.98 ? 176 PHE A CD1 1 ATOM 1231 C CD2 . PHE A 1 155 ? 34.911 62.166 48.615 1.00 34.28 ? 176 PHE A CD2 1 ATOM 1232 C CE1 . PHE A 1 155 ? 32.858 60.710 49.794 1.00 37.00 ? 176 PHE A CE1 1 ATOM 1233 C CE2 . PHE A 1 155 ? 34.462 60.998 48.010 1.00 37.55 ? 176 PHE A CE2 1 ATOM 1234 C CZ . PHE A 1 155 ? 33.429 60.267 48.600 1.00 39.52 ? 176 PHE A CZ 1 ATOM 1235 N N . PRO A 1 156 ? 33.724 67.193 51.606 1.00 35.03 ? 177 PRO A N 1 ATOM 1236 C CA . PRO A 1 156 ? 34.211 68.524 52.005 1.00 38.26 ? 177 PRO A CA 1 ATOM 1237 C C . PRO A 1 156 ? 35.230 68.470 53.139 1.00 42.34 ? 177 PRO A C 1 ATOM 1238 O O . PRO A 1 156 ? 36.056 69.377 53.254 1.00 43.90 ? 177 PRO A O 1 ATOM 1239 C CB . PRO A 1 156 ? 32.940 69.252 52.474 1.00 38.17 ? 177 PRO A CB 1 ATOM 1240 C CG . PRO A 1 156 ? 31.790 68.453 51.897 1.00 40.97 ? 177 PRO A CG 1 ATOM 1241 C CD . PRO A 1 156 ? 32.282 67.025 51.862 1.00 35.59 ? 177 PRO A CD 1 ATOM 1242 N N . THR A 1 157 ? 35.156 67.422 53.962 1.00 39.66 ? 178 THR A N 1 ATOM 1243 C CA . THR A 1 157 ? 36.109 67.184 55.050 1.00 35.84 ? 178 THR A CA 1 ATOM 1244 C C . THR A 1 157 ? 36.694 65.771 54.979 1.00 36.52 ? 178 THR A C 1 ATOM 1245 O O . THR A 1 157 ? 36.097 64.870 54.382 1.00 39.87 ? 178 THR A O 1 ATOM 1246 C CB . THR A 1 157 ? 35.455 67.378 56.438 1.00 36.54 ? 178 THR A CB 1 ATOM 1247 O OG1 . THR A 1 157 ? 34.304 66.535 56.552 1.00 38.57 ? 178 THR A OG1 1 ATOM 1248 C CG2 . THR A 1 157 ? 35.029 68.809 56.646 1.00 38.11 ? 178 THR A CG2 1 ATOM 1249 N N . PRO A 1 158 ? 37.860 65.573 55.603 1.00 37.85 ? 179 PRO A N 1 ATOM 1250 C CA . PRO A 1 158 ? 38.413 64.224 55.749 1.00 36.52 ? 179 PRO A CA 1 ATOM 1251 C C . PRO A 1 158 ? 37.384 63.211 56.265 1.00 33.69 ? 179 PRO A C 1 ATOM 1252 O O . PRO A 1 158 ? 37.236 62.143 55.670 1.00 34.26 ? 179 PRO A O 1 ATOM 1253 C CB . PRO A 1 158 ? 39.546 64.430 56.758 1.00 34.94 ? 179 PRO A CB 1 ATOM 1254 C CG . PRO A 1 158 ? 40.025 65.828 56.454 1.00 36.19 ? 179 PRO A CG 1 ATOM 1255 C CD . PRO A 1 158 ? 38.780 66.610 56.109 1.00 35.61 ? 179 PRO A CD 1 ATOM 1256 N N . ALA A 1 159 ? 36.685 63.526 57.349 1.00 35.36 ? 180 ALA A N 1 ATOM 1257 C CA . ALA A 1 159 ? 35.697 62.591 57.897 1.00 33.89 ? 180 ALA A CA 1 ATOM 1258 C C . ALA A 1 159 ? 34.636 62.181 56.878 1.00 35.53 ? 180 ALA A C 1 ATOM 1259 O O . ALA A 1 159 ? 34.121 61.055 56.929 1.00 38.41 ? 180 ALA A O 1 ATOM 1260 C CB . ALA A 1 159 ? 35.036 63.157 59.155 1.00 28.99 ? 180 ALA A CB 1 ATOM 1261 N N . ALA A 1 160 ? 34.298 63.087 55.963 1.00 33.29 ? 181 ALA A N 1 ATOM 1262 C CA . ALA A 1 160 ? 33.244 62.797 54.988 1.00 37.50 ? 181 ALA A CA 1 ATOM 1263 C C . ALA A 1 160 ? 33.681 61.676 54.043 1.00 40.19 ? 181 ALA A C 1 ATOM 1264 O O . ALA A 1 160 ? 32.891 60.789 53.685 1.00 41.99 ? 181 ALA A O 1 ATOM 1265 C CB . ALA A 1 160 ? 32.853 64.053 54.212 1.00 33.33 ? 181 ALA A CB 1 ATOM 1266 N N . LEU A 1 161 ? 34.948 61.719 53.650 1.00 34.50 ? 182 LEU A N 1 ATOM 1267 C CA . LEU A 1 161 ? 35.526 60.698 52.788 1.00 33.31 ? 182 LEU A CA 1 ATOM 1268 C C . LEU A 1 161 ? 35.699 59.383 53.542 1.00 37.23 ? 182 LEU A C 1 ATOM 1269 O O . LEU A 1 161 ? 35.221 58.335 53.113 1.00 34.36 ? 182 LEU A O 1 ATOM 1270 C CB . LEU A 1 161 ? 36.892 61.183 52.289 1.00 35.84 ? 182 LEU A CB 1 ATOM 1271 C CG . LEU A 1 161 ? 37.847 60.178 51.658 1.00 36.82 ? 182 LEU A CG 1 ATOM 1272 C CD1 . LEU A 1 161 ? 37.262 59.663 50.371 1.00 40.74 ? 182 LEU A CD1 1 ATOM 1273 C CD2 . LEU A 1 161 ? 39.206 60.806 51.393 1.00 38.84 ? 182 LEU A CD2 1 ATOM 1274 N N . CYS A 1 162 ? 36.382 59.463 54.679 1.00 39.83 ? 183 CYS A N 1 ATOM 1275 C CA . CYS A 1 162 ? 36.762 58.295 55.459 1.00 41.99 ? 183 CYS A CA 1 ATOM 1276 C C . CYS A 1 162 ? 35.563 57.521 55.995 1.00 45.72 ? 183 CYS A C 1 ATOM 1277 O O . CYS A 1 162 ? 35.546 56.286 55.952 1.00 48.86 ? 183 CYS A O 1 ATOM 1278 C CB . CYS A 1 162 ? 37.672 58.720 56.618 1.00 38.94 ? 183 CYS A CB 1 ATOM 1279 S SG . CYS A 1 162 ? 39.299 59.271 56.059 1.00 56.02 ? 183 CYS A SG 1 ATOM 1280 N N . GLU A 1 163 ? 34.567 58.246 56.493 1.00 42.15 ? 184 GLU A N 1 ATOM 1281 C CA . GLU A 1 163 ? 33.384 57.615 57.057 1.00 44.58 ? 184 GLU A CA 1 ATOM 1282 C C . GLU A 1 163 ? 32.315 57.340 55.994 1.00 40.85 ? 184 GLU A C 1 ATOM 1283 O O . GLU A 1 163 ? 31.695 56.278 55.980 1.00 39.03 ? 184 GLU A O 1 ATOM 1284 C CB . GLU A 1 163 ? 32.813 58.487 58.186 1.00 46.98 ? 184 GLU A CB 1 ATOM 1285 C CG . GLU A 1 163 ? 33.769 58.697 59.360 1.00 49.72 ? 184 GLU A CG 1 ATOM 1286 C CD . GLU A 1 163 ? 33.176 59.576 60.460 1.00 50.69 ? 184 GLU A CD 1 ATOM 1287 O OE1 . GLU A 1 163 ? 32.078 60.147 60.243 1.00 49.64 ? 184 GLU A OE1 1 ATOM 1288 O OE2 . GLU A 1 163 ? 33.805 59.690 61.542 1.00 49.62 ? 184 GLU A OE2 1 ATOM 1289 N N . GLY A 1 164 ? 32.112 58.305 55.104 1.00 40.12 ? 185 GLY A N 1 ATOM 1290 C CA . GLY A 1 164 ? 31.050 58.230 54.119 1.00 37.76 ? 185 GLY A CA 1 ATOM 1291 C C . GLY A 1 164 ? 31.319 57.389 52.880 1.00 38.47 ? 185 GLY A C 1 ATOM 1292 O O . GLY A 1 164 ? 30.394 56.769 52.345 1.00 37.70 ? 185 GLY A O 1 ATOM 1293 N N . LEU A 1 165 ? 32.569 57.347 52.411 1.00 36.55 ? 186 LEU A N 1 ATOM 1294 C CA . LEU A 1 165 ? 32.840 56.696 51.120 1.00 34.52 ? 186 LEU A CA 1 ATOM 1295 C C . LEU A 1 165 ? 32.462 55.217 51.150 1.00 36.27 ? 186 LEU A C 1 ATOM 1296 O O . LEU A 1 165 ? 31.764 54.734 50.251 1.00 37.63 ? 186 LEU A O 1 ATOM 1297 C CB . LEU A 1 165 ? 34.284 56.900 50.646 1.00 35.81 ? 186 LEU A CB 1 ATOM 1298 C CG . LEU A 1 165 ? 34.595 56.420 49.215 1.00 35.14 ? 186 LEU A CG 1 ATOM 1299 C CD1 . LEU A 1 165 ? 35.656 57.292 48.535 1.00 33.99 ? 186 LEU A CD1 1 ATOM 1300 C CD2 . LEU A 1 165 ? 34.993 54.944 49.185 1.00 33.13 ? 186 LEU A CD2 1 ATOM 1301 N N . TRP A 1 166 ? 32.908 54.501 52.181 1.00 35.08 ? 187 TRP A N 1 ATOM 1302 C CA . TRP A 1 166 ? 32.536 53.090 52.326 1.00 34.78 ? 187 TRP A CA 1 ATOM 1303 C C . TRP A 1 166 ? 31.445 52.898 53.383 1.00 37.19 ? 187 TRP A C 1 ATOM 1304 O O . TRP A 1 166 ? 31.556 52.032 54.245 1.00 39.49 ? 187 TRP A O 1 ATOM 1305 C CB . TRP A 1 166 ? 33.757 52.230 52.661 1.00 32.38 ? 187 TRP A CB 1 ATOM 1306 C CG . TRP A 1 166 ? 34.789 52.133 51.561 1.00 34.06 ? 187 TRP A CG 1 ATOM 1307 C CD1 . TRP A 1 166 ? 36.137 52.344 51.681 1.00 35.46 ? 187 TRP A CD1 1 ATOM 1308 C CD2 . TRP A 1 166 ? 34.558 51.799 50.180 1.00 34.29 ? 187 TRP A CD2 1 ATOM 1309 N NE1 . TRP A 1 166 ? 36.754 52.163 50.463 1.00 34.29 ? 187 TRP A NE1 1 ATOM 1310 C CE2 . TRP A 1 166 ? 35.811 51.830 49.528 1.00 32.23 ? 187 TRP A CE2 1 ATOM 1311 C CE3 . TRP A 1 166 ? 33.416 51.483 49.435 1.00 34.16 ? 187 TRP A CE3 1 ATOM 1312 C CZ2 . TRP A 1 166 ? 35.953 51.558 48.161 1.00 30.04 ? 187 TRP A CZ2 1 ATOM 1313 C CZ3 . TRP A 1 166 ? 33.561 51.206 48.080 1.00 32.96 ? 187 TRP A CZ3 1 ATOM 1314 C CH2 . TRP A 1 166 ? 34.823 51.247 47.458 1.00 30.85 ? 187 TRP A CH2 1 ATOM 1315 N N . SER A 1 167 ? 30.412 53.736 53.317 1.00 36.55 ? 188 SER A N 1 ATOM 1316 C CA . SER A 1 167 ? 29.244 53.643 54.192 1.00 31.94 ? 188 SER A CA 1 ATOM 1317 C C . SER A 1 167 ? 29.563 53.223 55.623 1.00 33.86 ? 188 SER A C 1 ATOM 1318 O O . SER A 1 167 ? 29.001 52.258 56.144 1.00 33.73 ? 188 SER A O 1 ATOM 1319 C CB . SER A 1 167 ? 28.186 52.709 53.600 1.00 26.12 ? 188 SER A CB 1 ATOM 1320 O OG . SER A 1 167 ? 28.748 51.464 53.266 1.00 28.63 ? 188 SER A OG 1 ATOM 1321 N N . HIS A 1 168 ? 30.480 53.959 56.242 1.00 35.78 ? 189 HIS A N 1 ATOM 1322 C CA . HIS A 1 168 ? 30.808 53.830 57.666 1.00 36.06 ? 189 HIS A CA 1 ATOM 1323 C C . HIS A 1 168 ? 31.562 52.575 58.107 1.00 36.56 ? 189 HIS A C 1 ATOM 1324 O O . HIS A 1 168 ? 31.472 52.175 59.270 1.00 37.97 ? 189 HIS A O 1 ATOM 1325 C CB . HIS A 1 168 ? 29.554 54.046 58.511 1.00 35.15 ? 189 HIS A CB 1 ATOM 1326 C CG . HIS A 1 168 ? 28.949 55.407 58.325 1.00 39.70 ? 189 HIS A CG 1 ATOM 1327 N ND1 . HIS A 1 168 ? 29.323 56.497 59.073 1.00 37.03 ? 189 HIS A ND1 1 ATOM 1328 C CD2 . HIS A 1 168 ? 28.026 55.849 57.436 1.00 42.21 ? 189 HIS A CD2 1 ATOM 1329 C CE1 . HIS A 1 168 ? 28.635 57.558 58.671 1.00 40.63 ? 189 HIS A CE1 1 ATOM 1330 N NE2 . HIS A 1 168 ? 27.845 57.190 57.683 1.00 43.13 ? 189 HIS A NE2 1 ATOM 1331 N N . SER A 1 169 ? 32.315 51.965 57.198 1.00 35.29 ? 190 SER A N 1 ATOM 1332 C CA . SER A 1 169 ? 33.304 50.977 57.622 1.00 34.04 ? 190 SER A CA 1 ATOM 1333 C C . SER A 1 169 ? 34.170 51.588 58.723 1.00 33.89 ? 190 SER A C 1 ATOM 1334 O O . SER A 1 169 ? 34.524 50.918 59.697 1.00 32.74 ? 190 SER A O 1 ATOM 1335 C CB . SER A 1 169 ? 34.178 50.542 56.450 1.00 32.86 ? 190 SER A CB 1 ATOM 1336 O OG . SER A 1 169 ? 33.460 49.749 55.528 1.00 31.75 ? 190 SER A OG 1 ATOM 1337 N N . TYR A 1 170 ? 34.493 52.872 58.563 1.00 32.27 ? 191 TYR A N 1 ATOM 1338 C CA . TYR A 1 170 ? 35.327 53.587 59.519 1.00 33.27 ? 191 TYR A CA 1 ATOM 1339 C C . TYR A 1 170 ? 34.534 54.672 60.224 1.00 36.01 ? 191 TYR A C 1 ATOM 1340 O O . TYR A 1 170 ? 33.625 55.256 59.636 1.00 36.83 ? 191 TYR A O 1 ATOM 1341 C CB . TYR A 1 170 ? 36.489 54.315 58.803 1.00 32.48 ? 191 TYR A CB 1 ATOM 1342 C CG . TYR A 1 170 ? 37.451 53.451 58.009 1.00 33.53 ? 191 TYR A CG 1 ATOM 1343 C CD1 . TYR A 1 170 ? 38.249 52.497 58.635 1.00 32.84 ? 191 TYR A CD1 1 ATOM 1344 C CD2 . TYR A 1 170 ? 37.609 53.641 56.641 1.00 32.00 ? 191 TYR A CD2 1 ATOM 1345 C CE1 . TYR A 1 170 ? 39.139 51.727 57.904 1.00 36.61 ? 191 TYR A CE1 1 ATOM 1346 C CE2 . TYR A 1 170 ? 38.503 52.893 55.908 1.00 32.20 ? 191 TYR A CE2 1 ATOM 1347 C CZ . TYR A 1 170 ? 39.263 51.929 56.539 1.00 37.23 ? 191 TYR A CZ 1 ATOM 1348 O OH . TYR A 1 170 ? 40.152 51.172 55.801 1.00 36.40 ? 191 TYR A OH 1 ATOM 1349 N N . LYS A 1 171 ? 34.891 54.953 61.476 1.00 37.71 ? 192 LYS A N 1 ATOM 1350 C CA . LYS A 1 171 ? 34.676 56.280 62.062 1.00 38.29 ? 192 LYS A CA 1 ATOM 1351 C C . LYS A 1 171 ? 36.058 56.894 62.236 1.00 42.19 ? 192 LYS A C 1 ATOM 1352 O O . LYS A 1 171 ? 37.055 56.174 62.376 1.00 44.73 ? 192 LYS A O 1 ATOM 1353 C CB . LYS A 1 171 ? 33.984 56.196 63.415 1.00 36.90 ? 192 LYS A CB 1 ATOM 1354 C CG . LYS A 1 171 ? 34.707 55.282 64.379 1.00 35.35 ? 192 LYS A CG 1 ATOM 1355 C CD . LYS A 1 171 ? 34.269 55.536 65.806 1.00 36.49 ? 192 LYS A CD 1 ATOM 1356 C CE . LYS A 1 171 ? 34.969 54.567 66.735 1.00 40.68 ? 192 LYS A CE 1 ATOM 1357 N NZ . LYS A 1 171 ? 34.767 54.908 68.166 1.00 43.54 ? 192 LYS A NZ 1 ATOM 1358 N N . VAL A 1 172 ? 36.134 58.217 62.225 1.00 42.73 ? 193 VAL A N 1 ATOM 1359 C CA . VAL A 1 172 ? 37.422 58.874 62.415 1.00 39.05 ? 193 VAL A CA 1 ATOM 1360 C C . VAL A 1 172 ? 37.743 59.001 63.899 1.00 39.80 ? 193 VAL A C 1 ATOM 1361 O O . VAL A 1 172 ? 37.022 59.663 64.641 1.00 45.55 ? 193 VAL A O 1 ATOM 1362 C CB . VAL A 1 172 ? 37.466 60.247 61.745 1.00 40.84 ? 193 VAL A CB 1 ATOM 1363 C CG1 . VAL A 1 172 ? 38.686 61.044 62.211 1.00 41.80 ? 193 VAL A CG1 1 ATOM 1364 C CG2 . VAL A 1 172 ? 37.474 60.074 60.227 1.00 42.37 ? 193 VAL A CG2 1 ATOM 1365 N N . SER A 1 173 ? 38.819 58.355 64.335 1.00 37.73 ? 194 SER A N 1 ATOM 1366 C CA . SER A 1 173 ? 39.233 58.412 65.732 1.00 39.18 ? 194 SER A CA 1 ATOM 1367 C C . SER A 1 173 ? 40.089 59.653 65.965 1.00 40.70 ? 194 SER A C 1 ATOM 1368 O O . SER A 1 173 ? 40.853 60.058 65.086 1.00 41.68 ? 194 SER A O 1 ATOM 1369 C CB . SER A 1 173 ? 40.034 57.156 66.097 1.00 39.28 ? 194 SER A CB 1 ATOM 1370 O OG . SER A 1 173 ? 40.212 57.055 67.495 1.00 41.60 ? 194 SER A OG 1 ATOM 1371 N N . ASN A 1 174 ? 39.953 60.267 67.137 1.00 41.29 ? 195 ASN A N 1 ATOM 1372 C CA . ASN A 1 174 ? 40.783 61.422 67.488 1.00 42.44 ? 195 ASN A CA 1 ATOM 1373 C C . ASN A 1 174 ? 42.106 60.974 68.098 1.00 41.30 ? 195 ASN A C 1 ATOM 1374 O O . ASN A 1 174 ? 42.870 61.785 68.611 1.00 42.61 ? 195 ASN A O 1 ATOM 1375 C CB . ASN A 1 174 ? 40.048 62.352 68.454 1.00 43.81 ? 195 ASN A CB 1 ATOM 1376 C CG . ASN A 1 174 ? 40.668 63.732 68.516 1.00 45.66 ? 195 ASN A CG 1 ATOM 1377 O OD1 . ASN A 1 174 ? 40.796 64.407 67.492 1.00 43.78 ? 195 ASN A OD1 1 ATOM 1378 N ND2 . ASN A 1 174 ? 41.045 64.166 69.716 1.00 52.10 ? 195 ASN A ND2 1 ATOM 1379 N N . TYR A 1 175 ? 42.368 59.673 68.040 1.00 43.22 ? 196 TYR A N 1 ATOM 1380 C CA . TYR A 1 175 ? 43.635 59.131 68.511 1.00 44.92 ? 196 TYR A CA 1 ATOM 1381 C C . TYR A 1 175 ? 44.663 59.164 67.403 1.00 46.02 ? 196 TYR A C 1 ATOM 1382 O O . TYR A 1 175 ? 44.305 59.149 66.224 1.00 47.30 ? 196 TYR A O 1 ATOM 1383 C CB . TYR A 1 175 ? 43.458 57.708 69.033 1.00 48.92 ? 196 TYR A CB 1 ATOM 1384 C CG . TYR A 1 175 ? 42.844 57.664 70.404 1.00 51.50 ? 196 TYR A CG 1 ATOM 1385 C CD1 . TYR A 1 175 ? 43.526 58.171 71.499 1.00 55.26 ? 196 TYR A CD1 1 ATOM 1386 C CD2 . TYR A 1 175 ? 41.584 57.122 70.606 1.00 53.79 ? 196 TYR A CD2 1 ATOM 1387 C CE1 . TYR A 1 175 ? 42.971 58.143 72.763 1.00 58.89 ? 196 TYR A CE1 1 ATOM 1388 C CE2 . TYR A 1 175 ? 41.017 57.084 71.864 1.00 57.70 ? 196 TYR A CE2 1 ATOM 1389 C CZ . TYR A 1 175 ? 41.712 57.597 72.942 1.00 61.49 ? 196 TYR A CZ 1 ATOM 1390 O OH . TYR A 1 175 ? 41.149 57.565 74.203 1.00 63.81 ? 196 TYR A OH 1 ATOM 1391 N N . SER A 1 176 ? 45.936 59.199 67.787 1.00 47.69 ? 197 SER A N 1 ATOM 1392 C CA . SER A 1 176 ? 47.030 59.312 66.830 1.00 50.79 ? 197 SER A CA 1 ATOM 1393 C C . SER A 1 176 ? 47.558 57.956 66.395 1.00 47.39 ? 197 SER A C 1 ATOM 1394 O O . SER A 1 176 ? 47.380 56.963 67.096 1.00 48.64 ? 197 SER A O 1 ATOM 1395 C CB . SER A 1 176 ? 48.175 60.135 67.430 1.00 55.25 ? 197 SER A CB 1 ATOM 1396 O OG . SER A 1 176 ? 47.916 61.520 67.307 1.00 61.55 ? 197 SER A OG 1 ATOM 1397 N N . ARG A 1 177 ? 48.192 57.927 65.227 1.00 45.01 ? 198 ARG A N 1 ATOM 1398 C CA . ARG A 1 177 ? 48.908 56.750 64.765 1.00 43.33 ? 198 ARG A CA 1 ATOM 1399 C C . ARG A 1 177 ? 49.923 56.361 65.819 1.00 43.52 ? 198 ARG A C 1 ATOM 1400 O O . ARG A 1 177 ? 50.693 57.198 66.273 1.00 42.88 ? 198 ARG A O 1 ATOM 1401 C CB . ARG A 1 177 ? 49.630 57.049 63.450 1.00 41.76 ? 198 ARG A CB 1 ATOM 1402 C CG . ARG A 1 177 ? 48.699 57.390 62.291 1.00 42.99 ? 198 ARG A CG 1 ATOM 1403 C CD . ARG A 1 177 ? 49.472 57.977 61.117 1.00 39.49 ? 198 ARG A CD 1 ATOM 1404 N NE . ARG A 1 177 ? 50.708 57.244 60.886 1.00 39.80 ? 198 ARG A NE 1 ATOM 1405 C CZ . ARG A 1 177 ? 50.768 56.068 60.276 1.00 42.92 ? 198 ARG A CZ 1 ATOM 1406 N NH1 . ARG A 1 177 ? 49.649 55.495 59.843 1.00 40.35 ? 198 ARG A NH1 1 ATOM 1407 N NH2 . ARG A 1 177 ? 51.942 55.463 60.107 1.00 45.15 ? 198 ARG A NH2 1 ATOM 1408 N N . GLY A 1 178 ? 49.908 55.097 66.225 1.00 48.57 ? 199 GLY A N 1 ATOM 1409 C CA . GLY A 1 178 ? 50.862 54.606 67.205 1.00 49.74 ? 199 GLY A CA 1 ATOM 1410 C C . GLY A 1 178 ? 50.394 54.767 68.639 1.00 49.45 ? 199 GLY A C 1 ATOM 1411 O O . GLY A 1 178 ? 51.147 54.486 69.575 1.00 48.74 ? 199 GLY A O 1 ATOM 1412 N N . SER A 1 179 ? 49.155 55.223 68.815 1.00 46.53 ? 200 SER A N 1 ATOM 1413 C CA . SER A 1 179 ? 48.573 55.360 70.143 1.00 41.81 ? 200 SER A CA 1 ATOM 1414 C C . SER A 1 179 ? 48.211 53.993 70.711 1.00 36.71 ? 200 SER A C 1 ATOM 1415 O O . SER A 1 179 ? 48.073 53.830 71.924 1.00 36.42 ? 200 SER A O 1 ATOM 1416 C CB . SER A 1 179 ? 47.323 56.249 70.101 1.00 42.89 ? 200 SER A CB 1 ATOM 1417 O OG . SER A 1 179 ? 46.322 55.704 69.269 1.00 42.68 ? 200 SER A OG 1 ATOM 1418 N N . GLY A 1 180 ? 48.055 53.013 69.828 1.00 36.20 ? 201 GLY A N 1 ATOM 1419 C CA . GLY A 1 180 ? 47.475 51.733 70.201 1.00 36.70 ? 201 GLY A CA 1 ATOM 1420 C C . GLY A 1 180 ? 45.984 51.854 70.464 1.00 37.28 ? 201 GLY A C 1 ATOM 1421 O O . GLY A 1 180 ? 45.350 50.941 71.001 1.00 36.56 ? 201 GLY A O 1 ATOM 1422 N N . ARG A 1 181 ? 45.412 52.993 70.085 1.00 37.76 ? 202 ARG A N 1 ATOM 1423 C CA . ARG A 1 181 ? 43.999 53.246 70.351 1.00 36.49 ? 202 ARG A CA 1 ATOM 1424 C C . ARG A 1 181 ? 43.208 53.471 69.069 1.00 36.67 ? 202 ARG A C 1 ATOM 1425 O O . ARG A 1 181 ? 42.018 53.775 69.119 1.00 39.31 ? 202 ARG A O 1 ATOM 1426 C CB . ARG A 1 181 ? 43.843 54.429 71.308 1.00 35.27 ? 202 ARG A CB 1 ATOM 1427 C CG . ARG A 1 181 ? 44.473 54.200 72.675 1.00 36.07 ? 202 ARG A CG 1 ATOM 1428 C CD . ARG A 1 181 ? 43.739 53.103 73.432 1.00 41.82 ? 202 ARG A CD 1 ATOM 1429 N NE . ARG A 1 181 ? 44.382 52.806 74.706 1.00 45.89 ? 202 ARG A NE 1 ATOM 1430 C CZ . ARG A 1 181 ? 45.188 51.769 74.916 1.00 45.19 ? 202 ARG A CZ 1 ATOM 1431 N NH1 . ARG A 1 181 ? 45.437 50.917 73.933 1.00 42.82 ? 202 ARG A NH1 1 ATOM 1432 N NH2 . ARG A 1 181 ? 45.743 51.584 76.110 1.00 43.80 ? 202 ARG A NH2 1 ATOM 1433 N N . CYS A 1 182 ? 43.867 53.319 67.921 1.00 33.73 ? 203 CYS A N 1 ATOM 1434 C CA . CYS A 1 182 ? 43.174 53.419 66.636 1.00 33.60 ? 203 CYS A CA 1 ATOM 1435 C C . CYS A 1 182 ? 43.836 52.572 65.566 1.00 37.09 ? 203 CYS A C 1 ATOM 1436 O O . CYS A 1 182 ? 45.050 52.352 65.583 1.00 38.01 ? 203 CYS A O 1 ATOM 1437 C CB . CYS A 1 182 ? 43.090 54.874 66.167 1.00 31.63 ? 203 CYS A CB 1 ATOM 1438 S SG . CYS A 1 182 ? 44.713 55.616 65.961 1.00 42.33 ? 203 CYS A SG 1 ATOM 1439 N N . ILE A 1 183 ? 43.019 52.106 64.629 1.00 37.23 ? 204 ILE A N 1 ATOM 1440 C CA . ILE A 1 183 ? 43.496 51.287 63.524 1.00 37.62 ? 204 ILE A CA 1 ATOM 1441 C C . ILE A 1 183 ? 44.250 52.146 62.516 1.00 35.57 ? 204 ILE A C 1 ATOM 1442 O O . ILE A 1 183 ? 43.749 53.186 62.085 1.00 35.44 ? 204 ILE A O 1 ATOM 1443 C CB . ILE A 1 183 ? 42.323 50.558 62.815 1.00 31.23 ? 204 ILE A CB 1 ATOM 1444 C CG1 . ILE A 1 183 ? 41.728 49.490 63.740 1.00 25.54 ? 204 ILE A CG1 1 ATOM 1445 C CG2 . ILE A 1 183 ? 42.777 49.939 61.479 1.00 30.22 ? 204 ILE A CG2 1 ATOM 1446 C CD1 . ILE A 1 183 ? 42.712 48.369 64.138 1.00 25.82 ? 204 ILE A CD1 1 ATOM 1447 N N . GLN A 1 184 ? 45.453 51.706 62.149 1.00 32.60 ? 205 GLN A N 1 ATOM 1448 C CA . GLN A 1 184 ? 46.224 52.341 61.090 1.00 29.84 ? 205 GLN A CA 1 ATOM 1449 C C . GLN A 1 184 ? 46.011 51.608 59.773 1.00 31.23 ? 205 GLN A C 1 ATOM 1450 O O . GLN A 1 184 ? 46.106 50.384 59.720 1.00 32.93 ? 205 GLN A O 1 ATOM 1451 C CB . GLN A 1 184 ? 47.721 52.328 61.426 1.00 30.34 ? 205 GLN A CB 1 ATOM 1452 C CG . GLN A 1 184 ? 48.106 52.969 62.750 1.00 33.73 ? 205 GLN A CG 1 ATOM 1453 C CD . GLN A 1 184 ? 49.615 52.905 63.013 1.00 39.89 ? 205 GLN A CD 1 ATOM 1454 O OE1 . GLN A 1 184 ? 50.417 53.378 62.209 1.00 42.78 ? 205 GLN A OE1 1 ATOM 1455 N NE2 . GLN A 1 184 ? 49.999 52.305 64.136 1.00 39.83 ? 205 GLN A NE2 1 ATOM 1456 N N . MET A 1 185 ? 45.715 52.357 58.715 1.00 32.66 ? 206 MET A N 1 ATOM 1457 C CA . MET A 1 185 ? 45.697 51.805 57.366 1.00 32.35 ? 206 MET A CA 1 ATOM 1458 C C . MET A 1 185 ? 47.133 51.576 56.871 1.00 36.60 ? 206 MET A C 1 ATOM 1459 O O . MET A 1 185 ? 47.432 50.569 56.219 1.00 39.21 ? 206 MET A O 1 ATOM 1460 C CB . MET A 1 185 ? 44.992 52.775 56.432 1.00 30.39 ? 206 MET A CB 1 ATOM 1461 C CG . MET A 1 185 ? 43.974 52.155 55.519 1.00 31.66 ? 206 MET A CG 1 ATOM 1462 S SD . MET A 1 185 ? 43.077 53.458 54.668 1.00 52.83 ? 206 MET A SD 1 ATOM 1463 C CE . MET A 1 185 ? 44.322 53.986 53.500 1.00 30.27 ? 206 MET A CE 1 ATOM 1464 N N . TRP A 1 186 ? 48.012 52.519 57.195 1.00 35.32 ? 207 TRP A N 1 ATOM 1465 C CA . TRP A 1 186 ? 49.411 52.471 56.783 1.00 37.68 ? 207 TRP A CA 1 ATOM 1466 C C . TRP A 1 186 ? 50.333 52.172 57.955 1.00 39.45 ? 207 TRP A C 1 ATOM 1467 O O . TRP A 1 186 ? 50.452 52.986 58.879 1.00 39.08 ? 207 TRP A O 1 ATOM 1468 C CB . TRP A 1 186 ? 49.831 53.816 56.182 1.00 35.19 ? 207 TRP A CB 1 ATOM 1469 C CG . TRP A 1 186 ? 49.273 54.051 54.805 1.00 34.86 ? 207 TRP A CG 1 ATOM 1470 C CD1 . TRP A 1 186 ? 48.072 54.637 54.482 1.00 31.07 ? 207 TRP A CD1 1 ATOM 1471 C CD2 . TRP A 1 186 ? 49.910 53.712 53.558 1.00 33.02 ? 207 TRP A CD2 1 ATOM 1472 N NE1 . TRP A 1 186 ? 47.929 54.678 53.110 1.00 31.90 ? 207 TRP A NE1 1 ATOM 1473 C CE2 . TRP A 1 186 ? 49.029 54.123 52.529 1.00 32.40 ? 207 TRP A CE2 1 ATOM 1474 C CE3 . TRP A 1 186 ? 51.119 53.099 53.229 1.00 33.27 ? 207 TRP A CE3 1 ATOM 1475 C CZ2 . TRP A 1 186 ? 49.350 53.933 51.173 1.00 30.42 ? 207 TRP A CZ2 1 ATOM 1476 C CZ3 . TRP A 1 186 ? 51.429 52.915 51.893 1.00 33.45 ? 207 TRP A CZ3 1 ATOM 1477 C CH2 . TRP A 1 186 ? 50.543 53.328 50.878 1.00 32.98 ? 207 TRP A CH2 1 ATOM 1478 N N . PHE A 1 187 ? 51.001 51.024 57.922 1.00 39.83 ? 208 PHE A N 1 ATOM 1479 C CA . PHE A 1 187 ? 51.955 50.697 58.979 1.00 42.68 ? 208 PHE A CA 1 ATOM 1480 C C . PHE A 1 187 ? 53.138 49.860 58.504 1.00 46.49 ? 208 PHE A C 1 ATOM 1481 O O . PHE A 1 187 ? 53.007 49.031 57.599 1.00 45.53 ? 208 PHE A O 1 ATOM 1482 C CB . PHE A 1 187 ? 51.245 49.987 60.141 1.00 43.46 ? 208 PHE A CB 1 ATOM 1483 C CG . PHE A 1 187 ? 50.568 48.709 59.747 1.00 43.54 ? 208 PHE A CG 1 ATOM 1484 C CD1 . PHE A 1 187 ? 49.225 48.699 59.382 1.00 40.44 ? 208 PHE A CD1 1 ATOM 1485 C CD2 . PHE A 1 187 ? 51.275 47.516 59.734 1.00 41.46 ? 208 PHE A CD2 1 ATOM 1486 C CE1 . PHE A 1 187 ? 48.608 47.516 59.016 1.00 38.26 ? 208 PHE A CE1 1 ATOM 1487 C CE2 . PHE A 1 187 ? 50.660 46.338 59.368 1.00 39.91 ? 208 PHE A CE2 1 ATOM 1488 C CZ . PHE A 1 187 ? 49.326 46.334 59.008 1.00 38.36 ? 208 PHE A CZ 1 ATOM 1489 N N . ASP A 1 188 ? 54.296 50.113 59.110 1.00 51.07 ? 209 ASP A N 1 ATOM 1490 C CA . ASP A 1 188 ? 55.439 49.210 59.039 1.00 55.96 ? 209 ASP A CA 1 ATOM 1491 C C . ASP A 1 188 ? 55.159 48.053 60.006 1.00 51.83 ? 209 ASP A C 1 ATOM 1492 O O . ASP A 1 188 ? 54.829 48.275 61.175 1.00 51.28 ? 209 ASP A O 1 ATOM 1493 C CB . ASP A 1 188 ? 56.715 49.946 59.474 1.00 62.54 ? 209 ASP A CB 1 ATOM 1494 C CG . ASP A 1 188 ? 57.973 49.109 59.283 1.00 71.95 ? 209 ASP A CG 1 ATOM 1495 O OD1 . ASP A 1 188 ? 58.040 48.330 58.307 1.00 75.97 ? 209 ASP A OD1 1 ATOM 1496 O OD2 . ASP A 1 188 ? 58.908 49.240 60.104 1.00 75.39 ? 209 ASP A OD2 1 ATOM 1497 N N . SER A 1 189 ? 55.262 46.816 59.537 1.00 49.10 ? 210 SER A N 1 ATOM 1498 C CA . SER A 1 189 ? 55.004 45.696 60.437 1.00 47.16 ? 210 SER A CA 1 ATOM 1499 C C . SER A 1 189 ? 56.259 44.871 60.705 1.00 46.34 ? 210 SER A C 1 ATOM 1500 O O . SER A 1 189 ? 56.174 43.711 61.107 1.00 45.94 ? 210 SER A O 1 ATOM 1501 C CB . SER A 1 189 ? 53.871 44.816 59.910 1.00 45.74 ? 210 SER A CB 1 ATOM 1502 O OG . SER A 1 189 ? 54.243 44.175 58.703 1.00 46.71 ? 210 SER A OG 1 ATOM 1503 N N . ALA A 1 190 ? 57.424 45.485 60.516 1.00 47.85 ? 211 ALA A N 1 ATOM 1504 C CA . ALA A 1 190 ? 58.691 44.798 60.757 1.00 51.14 ? 211 ALA A CA 1 ATOM 1505 C C . ALA A 1 190 ? 58.728 44.176 62.151 1.00 49.22 ? 211 ALA A C 1 ATOM 1506 O O . ALA A 1 190 ? 59.178 43.041 62.325 1.00 45.00 ? 211 ALA A O 1 ATOM 1507 C CB . ALA A 1 190 ? 59.864 45.741 60.554 1.00 49.77 ? 211 ALA A CB 1 ATOM 1508 N N . GLN A 1 191 ? 58.246 44.922 63.139 1.00 49.59 ? 212 GLN A N 1 ATOM 1509 C CA . GLN A 1 191 ? 58.235 44.441 64.514 1.00 51.98 ? 212 GLN A CA 1 ATOM 1510 C C . GLN A 1 191 ? 56.836 44.120 65.019 1.00 53.04 ? 212 GLN A C 1 ATOM 1511 O O . GLN A 1 191 ? 56.534 44.329 66.197 1.00 56.09 ? 212 GLN A O 1 ATOM 1512 C CB . GLN A 1 191 ? 58.853 45.483 65.430 1.00 53.95 ? 212 GLN A CB 1 ATOM 1513 C CG . GLN A 1 191 ? 60.212 45.938 64.973 1.00 57.40 ? 212 GLN A CG 1 ATOM 1514 C CD . GLN A 1 191 ? 60.741 47.052 65.831 1.00 58.57 ? 212 GLN A CD 1 ATOM 1515 O OE1 . GLN A 1 191 ? 60.465 48.231 65.579 1.00 56.61 ? 212 GLN A OE1 1 ATOM 1516 N NE2 . GLN A 1 191 ? 61.501 46.690 66.864 1.00 59.40 ? 212 GLN A NE2 1 ATOM 1517 N N . GLY A 1 192 ? 55.987 43.610 64.137 1.00 46.97 ? 213 GLY A N 1 ATOM 1518 C CA . GLY A 1 192 ? 54.645 43.247 64.528 1.00 41.77 ? 213 GLY A CA 1 ATOM 1519 C C . GLY A 1 192 ? 53.607 44.201 63.987 1.00 41.11 ? 213 GLY A C 1 ATOM 1520 O O . GLY A 1 192 ? 53.839 45.412 63.864 1.00 42.19 ? 213 GLY A O 1 ATOM 1521 N N . ASN A 1 193 ? 52.456 43.634 63.648 1.00 39.87 ? 214 ASN A N 1 ATOM 1522 C CA . ASN A 1 193 ? 51.293 44.404 63.265 1.00 37.69 ? 214 ASN A CA 1 ATOM 1523 C C . ASN A 1 193 ? 50.740 45.167 64.466 1.00 36.31 ? 214 ASN A C 1 ATOM 1524 O O . ASN A 1 193 ? 50.295 44.560 65.451 1.00 37.19 ? 214 ASN A O 1 ATOM 1525 C CB . ASN A 1 193 ? 50.226 43.479 62.706 1.00 36.11 ? 214 ASN A CB 1 ATOM 1526 C CG . ASN A 1 193 ? 49.109 44.237 62.031 1.00 35.54 ? 214 ASN A CG 1 ATOM 1527 O OD1 . ASN A 1 193 ? 48.703 45.316 62.485 1.00 32.10 ? 214 ASN A OD1 1 ATOM 1528 N ND2 . ASN A 1 193 ? 48.618 43.691 60.923 1.00 32.61 ? 214 ASN A ND2 1 ATOM 1529 N N . PRO A 1 194 ? 50.784 46.506 64.392 1.00 35.03 ? 215 PRO A N 1 ATOM 1530 C CA . PRO A 1 194 ? 50.360 47.420 65.466 1.00 34.63 ? 215 PRO A CA 1 ATOM 1531 C C . PRO A 1 194 ? 48.859 47.373 65.755 1.00 36.27 ? 215 PRO A C 1 ATOM 1532 O O . PRO A 1 194 ? 48.425 47.791 66.830 1.00 40.33 ? 215 PRO A O 1 ATOM 1533 C CB . PRO A 1 194 ? 50.738 48.805 64.919 1.00 32.40 ? 215 PRO A CB 1 ATOM 1534 C CG . PRO A 1 194 ? 50.810 48.629 63.432 1.00 32.50 ? 215 PRO A CG 1 ATOM 1535 C CD . PRO A 1 194 ? 51.334 47.232 63.231 1.00 32.05 ? 215 PRO A CD 1 ATOM 1536 N N . ASN A 1 195 ? 48.074 46.880 64.807 1.00 35.38 ? 216 ASN A N 1 ATOM 1537 C CA . ASN A 1 195 ? 46.631 46.844 64.993 1.00 36.53 ? 216 ASN A CA 1 ATOM 1538 C C . ASN A 1 195 ? 46.162 45.633 65.796 1.00 36.46 ? 216 ASN A C 1 ATOM 1539 O O . ASN A 1 195 ? 44.995 45.565 66.178 1.00 32.03 ? 216 ASN A O 1 ATOM 1540 C CB . ASN A 1 195 ? 45.901 46.909 63.656 1.00 33.38 ? 216 ASN A CB 1 ATOM 1541 C CG . ASN A 1 195 ? 46.168 48.190 62.911 1.00 34.94 ? 216 ASN A CG 1 ATOM 1542 O OD1 . ASN A 1 195 ? 46.558 49.201 63.503 1.00 40.05 ? 216 ASN A OD1 1 ATOM 1543 N ND2 . ASN A 1 195 ? 45.956 48.163 61.598 1.00 32.19 ? 216 ASN A ND2 1 ATOM 1544 N N . GLU A 1 196 ? 47.060 44.682 66.045 1.00 34.73 ? 217 GLU A N 1 ATOM 1545 C CA . GLU A 1 196 ? 46.749 43.594 66.957 1.00 38.93 ? 217 GLU A CA 1 ATOM 1546 C C . GLU A 1 196 ? 46.447 44.173 68.331 1.00 37.61 ? 217 GLU A C 1 ATOM 1547 O O . GLU A 1 196 ? 45.450 43.832 68.964 1.00 34.12 ? 217 GLU A O 1 ATOM 1548 C CB . GLU A 1 196 ? 47.920 42.605 67.059 1.00 41.54 ? 217 GLU A CB 1 ATOM 1549 C CG . GLU A 1 196 ? 48.281 41.899 65.762 1.00 45.89 ? 217 GLU A CG 1 ATOM 1550 C CD . GLU A 1 196 ? 49.401 40.877 65.940 1.00 48.76 ? 217 GLU A CD 1 ATOM 1551 O OE1 . GLU A 1 196 ? 49.783 40.595 67.102 1.00 48.05 ? 217 GLU A OE1 1 ATOM 1552 O OE2 . GLU A 1 196 ? 49.903 40.357 64.917 1.00 50.92 ? 217 GLU A OE2 1 ATOM 1553 N N . GLU A 1 197 ? 47.326 45.060 68.785 1.00 37.18 ? 218 GLU A N 1 ATOM 1554 C CA . GLU A 1 197 ? 47.187 45.656 70.105 1.00 38.54 ? 218 GLU A CA 1 ATOM 1555 C C . GLU A 1 197 ? 45.891 46.449 70.185 1.00 36.58 ? 218 GLU A C 1 ATOM 1556 O O . GLU A 1 197 ? 45.224 46.460 71.215 1.00 38.70 ? 218 GLU A O 1 ATOM 1557 C CB . GLU A 1 197 ? 48.387 46.547 70.427 1.00 42.22 ? 218 GLU A CB 1 ATOM 1558 C CG . GLU A 1 197 ? 48.174 47.491 71.596 1.00 49.47 ? 218 GLU A CG 1 ATOM 1559 C CD . GLU A 1 197 ? 49.222 48.605 71.662 1.00 52.18 ? 218 GLU A CD 1 ATOM 1560 O OE1 . GLU A 1 197 ? 49.739 49.016 70.592 1.00 50.85 ? 218 GLU A OE1 1 ATOM 1561 O OE2 . GLU A 1 197 ? 49.529 49.066 72.788 1.00 52.23 ? 218 GLU A OE2 1 ATOM 1562 N N . VAL A 1 198 ? 45.536 47.098 69.081 1.00 35.33 ? 219 VAL A N 1 ATOM 1563 C CA . VAL A 1 198 ? 44.320 47.901 69.004 1.00 37.98 ? 219 VAL A CA 1 ATOM 1564 C C . VAL A 1 198 ? 43.084 47.028 69.185 1.00 37.61 ? 219 VAL A C 1 ATOM 1565 O O . VAL A 1 198 ? 42.222 47.333 70.006 1.00 32.04 ? 219 VAL A O 1 ATOM 1566 C CB . VAL A 1 198 ? 44.225 48.662 67.664 1.00 38.66 ? 219 VAL A CB 1 ATOM 1567 C CG1 . VAL A 1 198 ? 42.987 49.567 67.649 1.00 38.21 ? 219 VAL A CG1 1 ATOM 1568 C CG2 . VAL A 1 198 ? 45.487 49.486 67.429 1.00 36.57 ? 219 VAL A CG2 1 ATOM 1569 N N . ALA A 1 199 ? 43.013 45.936 68.427 1.00 41.28 ? 220 ALA A N 1 ATOM 1570 C CA . ALA A 1 199 ? 41.895 44.998 68.531 1.00 41.11 ? 220 ALA A CA 1 ATOM 1571 C C . ALA A 1 199 ? 41.847 44.378 69.922 1.00 40.45 ? 220 ALA A C 1 ATOM 1572 O O . ALA A 1 199 ? 40.770 44.145 70.475 1.00 38.98 ? 220 ALA A O 1 ATOM 1573 C CB . ALA A 1 199 ? 42.000 43.918 67.475 1.00 40.63 ? 220 ALA A CB 1 ATOM 1574 N N . ARG A 1 200 ? 43.018 44.121 70.494 1.00 42.20 ? 221 ARG A N 1 ATOM 1575 C CA . ARG A 1 200 ? 43.074 43.564 71.839 1.00 43.04 ? 221 ARG A CA 1 ATOM 1576 C C . ARG A 1 200 ? 42.449 44.544 72.817 1.00 41.76 ? 221 ARG A C 1 ATOM 1577 O O . ARG A 1 200 ? 41.564 44.181 73.595 1.00 43.45 ? 221 ARG A O 1 ATOM 1578 C CB . ARG A 1 200 ? 44.507 43.229 72.261 1.00 42.05 ? 221 ARG A CB 1 ATOM 1579 C CG . ARG A 1 200 ? 44.574 42.485 73.591 1.00 48.64 ? 221 ARG A CG 1 ATOM 1580 C CD . ARG A 1 200 ? 45.958 41.893 73.889 1.00 54.78 ? 221 ARG A CD 1 ATOM 1581 N NE . ARG A 1 200 ? 46.523 41.164 72.757 1.00 56.84 ? 221 ARG A NE 1 ATOM 1582 C CZ . ARG A 1 200 ? 47.485 41.637 71.970 1.00 59.41 ? 221 ARG A CZ 1 ATOM 1583 N NH1 . ARG A 1 200 ? 48.003 42.838 72.203 1.00 58.39 ? 221 ARG A NH1 1 ATOM 1584 N NH2 . ARG A 1 200 ? 47.941 40.905 70.959 1.00 61.07 ? 221 ARG A NH2 1 ATOM 1585 N N . PHE A 1 201 ? 42.899 45.793 72.757 1.00 37.56 ? 222 PHE A N 1 ATOM 1586 C CA . PHE A 1 201 ? 42.390 46.807 73.661 1.00 36.06 ? 222 PHE A CA 1 ATOM 1587 C C . PHE A 1 201 ? 40.875 46.979 73.584 1.00 36.50 ? 222 PHE A C 1 ATOM 1588 O O . PHE A 1 201 ? 40.198 47.026 74.613 1.00 37.33 ? 222 PHE A O 1 ATOM 1589 C CB . PHE A 1 201 ? 43.063 48.154 73.420 1.00 38.31 ? 222 PHE A CB 1 ATOM 1590 C CG . PHE A 1 201 ? 42.518 49.248 74.289 1.00 41.50 ? 222 PHE A CG 1 ATOM 1591 C CD1 . PHE A 1 201 ? 43.025 49.458 75.564 1.00 43.81 ? 222 PHE A CD1 1 ATOM 1592 C CD2 . PHE A 1 201 ? 41.481 50.058 73.840 1.00 43.18 ? 222 PHE A CD2 1 ATOM 1593 C CE1 . PHE A 1 201 ? 42.519 50.471 76.371 1.00 45.08 ? 222 PHE A CE1 1 ATOM 1594 C CE2 . PHE A 1 201 ? 40.965 51.068 74.641 1.00 43.75 ? 222 PHE A CE2 1 ATOM 1595 C CZ . PHE A 1 201 ? 41.486 51.276 75.907 1.00 45.26 ? 222 PHE A CZ 1 ATOM 1596 N N . TYR A 1 202 ? 40.330 47.089 72.380 1.00 37.49 ? 223 TYR A N 1 ATOM 1597 C CA . TYR A 1 202 ? 38.902 47.378 72.266 1.00 43.35 ? 223 TYR A CA 1 ATOM 1598 C C . TYR A 1 202 ? 38.023 46.153 72.502 1.00 47.39 ? 223 TYR A C 1 ATOM 1599 O O . TYR A 1 202 ? 36.832 46.287 72.765 1.00 48.40 ? 223 TYR A O 1 ATOM 1600 C CB . TYR A 1 202 ? 38.572 48.063 70.940 1.00 44.46 ? 223 TYR A CB 1 ATOM 1601 C CG . TYR A 1 202 ? 39.032 49.499 70.913 1.00 42.87 ? 223 TYR A CG 1 ATOM 1602 C CD1 . TYR A 1 202 ? 38.328 50.483 71.590 1.00 41.75 ? 223 TYR A CD1 1 ATOM 1603 C CD2 . TYR A 1 202 ? 40.181 49.869 70.226 1.00 41.43 ? 223 TYR A CD2 1 ATOM 1604 C CE1 . TYR A 1 202 ? 38.753 51.801 71.583 1.00 39.82 ? 223 TYR A CE1 1 ATOM 1605 C CE2 . TYR A 1 202 ? 40.612 51.182 70.211 1.00 39.71 ? 223 TYR A CE2 1 ATOM 1606 C CZ . TYR A 1 202 ? 39.893 52.144 70.892 1.00 39.36 ? 223 TYR A CZ 1 ATOM 1607 O OH . TYR A 1 202 ? 40.307 53.457 70.874 1.00 37.52 ? 223 TYR A OH 1 ATOM 1608 N N . ALA A 1 203 ? 38.613 44.964 72.415 1.00 48.82 ? 224 ALA A N 1 ATOM 1609 C CA . ALA A 1 203 ? 37.882 43.743 72.722 1.00 48.53 ? 224 ALA A CA 1 ATOM 1610 C C . ALA A 1 203 ? 37.732 43.600 74.229 1.00 49.94 ? 224 ALA A C 1 ATOM 1611 O O . ALA A 1 203 ? 36.722 43.096 74.714 1.00 51.75 ? 224 ALA A O 1 ATOM 1612 C CB . ALA A 1 203 ? 38.588 42.526 72.132 1.00 46.92 ? 224 ALA A CB 1 ATOM 1613 N N . ALA A 1 204 ? 38.747 44.041 74.965 1.00 49.20 ? 225 ALA A N 1 ATOM 1614 C CA . ALA A 1 204 ? 38.711 43.989 76.421 1.00 52.53 ? 225 ALA A CA 1 ATOM 1615 C C . ALA A 1 204 ? 37.786 45.064 77.002 1.00 54.77 ? 225 ALA A C 1 ATOM 1616 O O . ALA A 1 204 ? 37.319 44.946 78.142 1.00 52.21 ? 225 ALA A O 1 ATOM 1617 C CB . ALA A 1 204 ? 40.113 44.119 76.993 1.00 53.02 ? 225 ALA A CB 1 ATOM 1618 N N . ALA A 1 205 ? 37.519 46.108 76.218 1.00 58.00 ? 226 ALA A N 1 ATOM 1619 C CA . ALA A 1 205 ? 36.607 47.166 76.661 1.00 63.63 ? 226 ALA A CA 1 ATOM 1620 C C . ALA A 1 205 ? 35.160 46.657 76.817 1.00 67.31 ? 226 ALA A C 1 ATOM 1621 O O . ALA A 1 205 ? 34.419 47.142 77.675 1.00 68.20 ? 226 ALA A O 1 ATOM 1622 C CB . ALA A 1 205 ? 36.667 48.367 75.719 1.00 63.03 ? 226 ALA A CB 1 ATOM 1623 N N . MET A 1 206 ? 34.772 45.687 75.984 1.00 70.32 ? 227 MET A N 1 ATOM 1624 C CA . MET A 1 206 ? 33.473 45.007 76.097 1.00 74.19 ? 227 MET A CA 1 ATOM 1625 C C . MET A 1 206 ? 32.267 45.939 75.998 1.00 77.06 ? 227 MET A C 1 ATOM 1626 O O . MET A 1 206 ? 31.160 45.586 76.417 1.00 79.32 ? 227 MET A O 1 ATOM 1627 C CB . MET A 1 206 ? 33.404 44.197 77.401 1.00 75.23 ? 227 MET A CB 1 ATOM 1628 C CG . MET A 1 206 ? 33.909 42.762 77.287 1.00 76.03 ? 227 MET A CG 1 ATOM 1629 S SD . MET A 1 206 ? 34.998 42.303 78.654 1.00 145.37 ? 227 MET A SD 1 ATOM 1630 C CE . MET A 1 206 ? 34.344 43.320 79.978 1.00 60.03 ? 227 MET A CE 1 HETATM 1631 N N1 . FOL B 2 . ? 36.966 49.304 52.112 1.00 34.85 ? 301 FOL A N1 1 HETATM 1632 C C2 . FOL B 2 . ? 36.432 49.483 53.373 1.00 34.71 ? 301 FOL A C2 1 HETATM 1633 N NA2 . FOL B 2 . ? 37.134 50.132 54.305 1.00 35.14 ? 301 FOL A NA2 1 HETATM 1634 N N3 . FOL B 2 . ? 35.177 48.985 53.673 1.00 35.60 ? 301 FOL A N3 1 HETATM 1635 C C4 . FOL B 2 . ? 34.441 48.308 52.718 1.00 37.42 ? 301 FOL A C4 1 HETATM 1636 O O4 . FOL B 2 . ? 33.325 47.852 52.983 1.00 34.96 ? 301 FOL A O4 1 HETATM 1637 C C4A . FOL B 2 . ? 34.975 48.130 51.447 1.00 38.65 ? 301 FOL A C4A 1 HETATM 1638 N N5 . FOL B 2 . ? 34.240 47.458 50.489 1.00 38.39 ? 301 FOL A N5 1 HETATM 1639 C C6 . FOL B 2 . ? 34.780 47.279 49.227 1.00 39.11 ? 301 FOL A C6 1 HETATM 1640 C C7 . FOL B 2 . ? 36.050 47.781 48.928 1.00 38.10 ? 301 FOL A C7 1 HETATM 1641 N N8 . FOL B 2 . ? 36.783 48.457 49.884 1.00 35.46 ? 301 FOL A N8 1 HETATM 1642 C C8A . FOL B 2 . ? 36.245 48.629 51.146 1.00 36.27 ? 301 FOL A C8A 1 HETATM 1643 C C9 . FOL B 2 . ? 33.985 46.562 48.156 1.00 40.67 ? 301 FOL A C9 1 HETATM 1644 N N10 . FOL B 2 . ? 33.334 47.619 47.386 1.00 41.94 ? 301 FOL A N10 1 HETATM 1645 C C11 . FOL B 2 . ? 29.871 47.207 45.154 1.00 45.49 ? 301 FOL A C11 1 HETATM 1646 C C12 . FOL B 2 . ? 30.544 46.072 45.603 1.00 44.11 ? 301 FOL A C12 1 HETATM 1647 C C13 . FOL B 2 . ? 31.710 46.201 46.358 1.00 45.74 ? 301 FOL A C13 1 HETATM 1648 C C14 . FOL B 2 . ? 32.221 47.464 46.662 1.00 43.56 ? 301 FOL A C14 1 HETATM 1649 C C15 . FOL B 2 . ? 31.546 48.598 46.214 1.00 44.69 ? 301 FOL A C15 1 HETATM 1650 C C16 . FOL B 2 . ? 30.372 48.471 45.462 1.00 44.77 ? 301 FOL A C16 1 HETATM 1651 C C . FOL B 2 . ? 28.600 47.070 44.350 1.00 48.21 ? 301 FOL A C 1 HETATM 1652 O O . FOL B 2 . ? 28.474 46.034 43.392 1.00 47.46 ? 301 FOL A O 1 HETATM 1653 N N . FOL B 2 . ? 27.625 47.958 44.575 1.00 46.12 ? 301 FOL A N 1 HETATM 1654 C CA . FOL B 2 . ? 26.291 47.861 44.027 1.00 48.48 ? 301 FOL A CA 1 HETATM 1655 C CB . FOL B 2 . ? 25.315 47.221 45.023 1.00 46.98 ? 301 FOL A CB 1 HETATM 1656 C CG . FOL B 2 . ? 25.809 45.883 45.571 1.00 47.66 ? 301 FOL A CG 1 HETATM 1657 C CD . FOL B 2 . ? 24.767 45.191 46.428 1.00 48.59 ? 301 FOL A CD 1 HETATM 1658 O OE1 . FOL B 2 . ? 23.876 44.475 45.893 1.00 45.14 ? 301 FOL A OE1 1 HETATM 1659 O OE2 . FOL B 2 . ? 24.790 45.302 47.683 1.00 49.76 ? 301 FOL A OE2 1 HETATM 1660 C CT . FOL B 2 . ? 25.809 49.242 43.661 1.00 51.43 ? 301 FOL A CT 1 HETATM 1661 O O1 . FOL B 2 . ? 26.509 49.991 42.925 1.00 51.40 ? 301 FOL A O1 1 HETATM 1662 O O2 . FOL B 2 . ? 24.701 49.660 44.085 1.00 50.58 ? 301 FOL A O2 1 HETATM 1663 K K . K C 3 . ? 45.540 44.976 60.427 1.00 43.92 ? 302 K A K 1 HETATM 1664 CL CL . CL D 4 . ? 55.477 60.112 49.976 1.00 68.74 ? 303 CL A CL 1 HETATM 1665 C C1 . NAG E 5 . ? 41.597 65.475 69.982 1.00 37.93 ? 304 NAG A C1 1 HETATM 1666 C C2 . NAG E 5 . ? 40.687 66.240 70.939 1.00 42.10 ? 304 NAG A C2 1 HETATM 1667 C C3 . NAG E 5 . ? 41.164 67.671 71.129 1.00 43.39 ? 304 NAG A C3 1 HETATM 1668 C C4 . NAG E 5 . ? 42.635 67.674 71.513 1.00 50.78 ? 304 NAG A C4 1 HETATM 1669 C C5 . NAG E 5 . ? 43.450 66.895 70.487 1.00 50.63 ? 304 NAG A C5 1 HETATM 1670 C C6 . NAG E 5 . ? 44.932 66.892 70.877 1.00 52.26 ? 304 NAG A C6 1 HETATM 1671 C C7 . NAG E 5 . ? 38.325 65.706 71.161 1.00 41.69 ? 304 NAG A C7 1 HETATM 1672 C C8 . NAG E 5 . ? 36.939 65.863 70.591 1.00 39.31 ? 304 NAG A C8 1 HETATM 1673 N N2 . NAG E 5 . ? 39.317 66.243 70.452 1.00 42.43 ? 304 NAG A N2 1 HETATM 1674 O O3 . NAG E 5 . ? 40.390 68.287 72.133 1.00 37.95 ? 304 NAG A O3 1 HETATM 1675 O O4 . NAG E 5 . ? 43.110 68.998 71.618 1.00 60.45 ? 304 NAG A O4 1 HETATM 1676 O O5 . NAG E 5 . ? 42.953 65.572 70.386 1.00 44.80 ? 304 NAG A O5 1 HETATM 1677 O O6 . NAG E 5 . ? 45.675 65.980 70.103 1.00 51.20 ? 304 NAG A O6 1 HETATM 1678 O O7 . NAG E 5 . ? 38.509 65.106 72.224 1.00 42.54 ? 304 NAG A O7 1 HETATM 1679 C C1 . NAG F 5 . ? 43.243 69.761 72.822 1.00 73.88 ? 305 NAG A C1 1 HETATM 1680 C C2 . NAG F 5 . ? 43.972 71.023 72.368 1.00 81.45 ? 305 NAG A C2 1 HETATM 1681 C C3 . NAG F 5 . ? 44.097 72.043 73.492 1.00 83.24 ? 305 NAG A C3 1 HETATM 1682 C C4 . NAG F 5 . ? 42.758 72.285 74.168 1.00 84.02 ? 305 NAG A C4 1 HETATM 1683 C C5 . NAG F 5 . ? 41.993 70.994 74.472 1.00 82.63 ? 305 NAG A C5 1 HETATM 1684 C C6 . NAG F 5 . ? 40.542 71.335 74.812 1.00 83.60 ? 305 NAG A C6 1 HETATM 1685 C C7 . NAG F 5 . ? 45.759 71.293 70.760 1.00 86.23 ? 305 NAG A C7 1 HETATM 1686 C C8 . NAG F 5 . ? 47.174 71.804 70.835 1.00 86.66 ? 305 NAG A C8 1 HETATM 1687 N N2 . NAG F 5 . ? 45.290 70.694 71.854 1.00 84.69 ? 305 NAG A N2 1 HETATM 1688 O O3 . NAG F 5 . ? 44.554 73.271 72.964 1.00 83.97 ? 305 NAG A O3 1 HETATM 1689 O O4 . NAG F 5 . ? 42.986 73.013 75.359 1.00 85.24 ? 305 NAG A O4 1 HETATM 1690 O O5 . NAG F 5 . ? 41.987 70.086 73.385 1.00 78.49 ? 305 NAG A O5 1 HETATM 1691 O O6 . NAG F 5 . ? 39.764 70.165 74.930 1.00 84.54 ? 305 NAG A O6 1 HETATM 1692 O O7 . NAG F 5 . ? 45.085 71.435 69.737 1.00 85.46 ? 305 NAG A O7 1 HETATM 1693 O O . HOH G 6 . ? 51.579 49.421 52.203 1.00 35.00 ? 401 HOH A O 1 HETATM 1694 O O . HOH G 6 . ? 31.382 55.961 60.833 1.00 30.89 ? 402 HOH A O 1 HETATM 1695 O O . HOH G 6 . ? 33.051 46.975 55.413 1.00 34.14 ? 403 HOH A O 1 HETATM 1696 O O . HOH G 6 . ? 37.525 45.627 42.130 1.00 35.80 ? 404 HOH A O 1 HETATM 1697 O O . HOH G 6 . ? 33.926 41.471 50.567 1.00 38.99 ? 405 HOH A O 1 HETATM 1698 O O . HOH G 6 . ? 39.522 40.993 61.010 1.00 32.44 ? 406 HOH A O 1 HETATM 1699 O O . HOH G 6 . ? 33.349 66.796 59.123 1.00 31.09 ? 407 HOH A O 1 HETATM 1700 O O . HOH G 6 . ? 29.872 36.121 52.426 1.00 38.22 ? 408 HOH A O 1 HETATM 1701 O O . HOH G 6 . ? 37.299 71.042 54.949 1.00 50.46 ? 409 HOH A O 1 HETATM 1702 O O . HOH G 6 . ? 40.144 38.748 51.166 1.00 27.95 ? 410 HOH A O 1 HETATM 1703 O O . HOH G 6 . ? 51.245 33.780 50.177 1.00 37.59 ? 411 HOH A O 1 HETATM 1704 O O . HOH G 6 . ? 37.280 43.614 36.035 1.00 44.09 ? 412 HOH A O 1 HETATM 1705 O O . HOH G 6 . ? 44.556 63.495 44.134 1.00 41.98 ? 413 HOH A O 1 HETATM 1706 O O . HOH G 6 . ? 38.075 33.458 61.246 1.00 32.70 ? 414 HOH A O 1 HETATM 1707 O O . HOH G 6 . ? 37.552 58.986 39.116 1.00 41.95 ? 415 HOH A O 1 HETATM 1708 O O . HOH G 6 . ? 40.198 40.643 65.287 1.00 44.24 ? 416 HOH A O 1 HETATM 1709 O O . HOH G 6 . ? 52.453 40.683 64.072 1.00 41.73 ? 417 HOH A O 1 HETATM 1710 O O . HOH G 6 . ? 47.715 32.409 48.987 1.00 43.00 ? 418 HOH A O 1 HETATM 1711 O O . HOH G 6 . ? 41.170 36.732 49.863 1.00 42.17 ? 419 HOH A O 1 HETATM 1712 O O . HOH G 6 . ? 26.012 60.527 34.752 1.00 49.69 ? 420 HOH A O 1 HETATM 1713 O O . HOH G 6 . ? 25.533 65.234 40.871 1.00 31.20 ? 421 HOH A O 1 HETATM 1714 O O . HOH G 6 . ? 44.517 41.206 68.801 1.00 41.48 ? 422 HOH A O 1 HETATM 1715 O O . HOH G 6 . ? 29.956 43.587 37.843 1.00 47.60 ? 423 HOH A O 1 HETATM 1716 O O . HOH G 6 . ? 31.721 41.597 66.659 1.00 42.98 ? 424 HOH A O 1 HETATM 1717 O O . HOH G 6 . ? 52.310 40.795 59.268 1.00 36.75 ? 425 HOH A O 1 HETATM 1718 O O . HOH G 6 . ? 49.229 40.898 60.312 1.00 51.47 ? 426 HOH A O 1 HETATM 1719 O O . HOH G 6 . ? 56.401 42.561 47.496 1.00 45.45 ? 427 HOH A O 1 HETATM 1720 O O . HOH G 6 . ? 43.196 40.539 66.497 1.00 38.37 ? 428 HOH A O 1 HETATM 1721 O O . HOH G 6 . ? 33.940 54.325 55.830 1.00 30.81 ? 429 HOH A O 1 HETATM 1722 O O . HOH G 6 . ? 50.301 48.569 56.038 1.00 32.86 ? 430 HOH A O 1 HETATM 1723 O O . HOH G 6 . ? 40.172 51.481 38.255 1.00 50.35 ? 431 HOH A O 1 HETATM 1724 O O . HOH G 6 . ? 56.197 46.599 56.814 1.00 39.39 ? 432 HOH A O 1 HETATM 1725 O O . HOH G 6 . ? 30.815 71.032 40.725 1.00 40.48 ? 433 HOH A O 1 HETATM 1726 O O . HOH G 6 . ? 48.092 40.434 62.584 1.00 34.01 ? 434 HOH A O 1 HETATM 1727 O O . HOH G 6 . ? 35.159 34.326 54.136 1.00 73.72 ? 435 HOH A O 1 HETATM 1728 O O . HOH G 6 . ? 23.712 50.312 41.348 1.00 58.86 ? 436 HOH A O 1 HETATM 1729 O O . HOH G 6 . ? 45.922 30.588 50.966 1.00 45.37 ? 437 HOH A O 1 HETATM 1730 O O . HOH G 6 . ? 54.316 51.675 61.392 1.00 57.24 ? 438 HOH A O 1 HETATM 1731 O O . HOH G 6 . ? 35.487 33.671 50.376 1.00 55.56 ? 439 HOH A O 1 HETATM 1732 O O . HOH G 6 . ? 22.025 62.268 34.127 1.00 45.86 ? 440 HOH A O 1 HETATM 1733 O O . HOH G 6 . ? 40.291 45.155 34.049 1.00 42.79 ? 441 HOH A O 1 HETATM 1734 O O . HOH G 6 . ? 50.888 50.211 43.533 1.00 46.33 ? 442 HOH A O 1 HETATM 1735 O O . HOH G 6 . ? 39.315 42.129 56.931 1.00 37.45 ? 443 HOH A O 1 HETATM 1736 O O . HOH G 6 . ? 36.234 40.080 50.984 1.00 33.89 ? 444 HOH A O 1 HETATM 1737 O O . HOH G 6 . ? 35.798 34.401 56.556 1.00 43.97 ? 445 HOH A O 1 HETATM 1738 O O . HOH G 6 . ? 37.540 40.533 59.028 1.00 47.61 ? 446 HOH A O 1 HETATM 1739 O O . HOH G 6 . ? 37.421 54.171 69.847 1.00 45.97 ? 447 HOH A O 1 HETATM 1740 O O . HOH G 6 . ? 55.598 42.507 45.461 1.00 51.79 ? 448 HOH A O 1 HETATM 1741 O O . HOH G 6 . ? 45.732 38.368 73.341 1.00 64.77 ? 449 HOH A O 1 HETATM 1742 O O . HOH G 6 . ? 35.762 71.857 51.749 1.00 43.36 ? 450 HOH A O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . THR A 4 ? 0.9875 0.9925 1.0697 -0.0890 0.0446 0.1302 25 THR A N 2 C CA . THR A 4 ? 1.0044 1.0107 1.0852 -0.0746 0.0377 0.1206 25 THR A CA 3 C C . THR A 4 ? 0.9492 0.9402 1.0367 -0.0706 0.0312 0.1121 25 THR A C 4 O O . THR A 4 ? 0.9518 0.9447 1.0389 -0.0592 0.0262 0.1025 25 THR A O 5 C CB . THR A 4 ? 1.0670 1.0654 1.1425 -0.0659 0.0307 0.1258 25 THR A CB 6 O OG1 . THR A 4 ? 1.1097 1.0849 1.1877 -0.0704 0.0259 0.1350 25 THR A OG1 7 C CG2 . THR A 4 ? 1.0600 1.0772 1.1281 -0.0668 0.0367 0.1313 25 THR A CG2 8 N N . ASP A 5 ? 0.8692 0.8450 0.9628 -0.0798 0.0312 0.1158 26 ASP A N 9 C CA . ASP A 5 ? 0.8037 0.7641 0.9041 -0.0772 0.0253 0.1084 26 ASP A CA 10 C C . ASP A 5 ? 0.6955 0.6705 0.7982 -0.0762 0.0295 0.0968 26 ASP A C 11 O O . ASP A 5 ? 0.6486 0.6149 0.7557 -0.0709 0.0243 0.0881 26 ASP A O 12 C CB . ASP A 5 ? 0.8467 0.7882 0.9532 -0.0882 0.0249 0.1159 26 ASP A CB 13 C CG . ASP A 5 ? 0.9241 0.8468 1.0293 -0.0877 0.0188 0.1261 26 ASP A CG 14 O OD1 . ASP A 5 ? 0.9487 0.8645 1.0510 -0.0763 0.0109 0.1241 26 ASP A OD1 15 O OD2 . ASP A 5 ? 0.9656 0.8804 1.0723 -0.0986 0.0218 0.1361 26 ASP A OD2 16 N N . LEU A 6 ? 0.6183 0.6156 0.7177 -0.0814 0.0390 0.0967 27 LEU A N 17 C CA . LEU A 6 ? 0.5883 0.6015 0.6890 -0.0810 0.0440 0.0862 27 LEU A CA 18 C C . LEU A 6 ? 0.5529 0.5817 0.6484 -0.0685 0.0426 0.0776 27 LEU A C 19 O O . LEU A 6 ? 0.5740 0.6174 0.6696 -0.0667 0.0465 0.0682 27 LEU A O 20 C CB . LEU A 6 ? 0.5745 0.6035 0.6745 -0.0936 0.0551 0.0902 27 LEU A CB 21 C CG . LEU A 6 ? 0.5940 0.6099 0.6987 -0.1067 0.0575 0.0995 27 LEU A CG 22 C CD1 . LEU A 6 ? 0.6056 0.6383 0.7074 -0.1179 0.0682 0.1060 27 LEU A CD1 23 C CD2 . LEU A 6 ? 0.5946 0.5984 0.7072 -0.1099 0.0555 0.0934 27 LEU A CD2 24 N N . LEU A 7 ? 0.5200 0.5457 0.6109 -0.0599 0.0372 0.0806 28 LEU A N 25 C CA . LEU A 7 ? 0.5087 0.5496 0.5946 -0.0481 0.0359 0.0730 28 LEU A CA 26 C C . LEU A 7 ? 0.5217 0.5499 0.6098 -0.0355 0.0260 0.0643 28 LEU A C 27 O O . LEU A 7 ? 0.5484 0.5546 0.6396 -0.0339 0.0182 0.0677 28 LEU A O 28 C CB . LEU A 7 ? 0.5388 0.5868 0.6178 -0.0457 0.0364 0.0810 28 LEU A CB 29 C CG . LEU A 7 ? 0.5552 0.6151 0.6311 -0.0572 0.0457 0.0906 28 LEU A CG 30 C CD1 . LEU A 7 ? 0.5855 0.6490 0.6547 -0.0530 0.0442 0.0981 28 LEU A CD1 31 C CD2 . LEU A 7 ? 0.5247 0.6087 0.5992 -0.0614 0.0553 0.0849 28 LEU A CD2 32 N N . ASN A 8 ? 0.4652 0.5073 0.5518 -0.0268 0.0261 0.0533 29 ASN A N 33 C CA . ASN A 8 ? 0.4723 0.5045 0.5604 -0.0140 0.0170 0.0444 29 ASN A CA 34 C C . ASN A 8 ? 0.5364 0.5464 0.6317 -0.0158 0.0113 0.0419 29 ASN A C 35 O O . ASN A 8 ? 0.5794 0.5700 0.6763 -0.0098 0.0022 0.0431 29 ASN A O 36 C CB . ASN A 8 ? 0.4696 0.4947 0.5535 -0.0045 0.0096 0.0485 29 ASN A CB 37 C CG . ASN A 8 ? 0.4994 0.5267 0.5818 0.0104 0.0031 0.0379 29 ASN A CG 38 O OD1 . ASN A 8 ? 0.4726 0.5153 0.5547 0.0141 0.0063 0.0280 29 ASN A OD1 39 N ND2 . ASN A 8 ? 0.5276 0.5397 0.6091 0.0191 -0.0062 0.0398 29 ASN A ND2 40 N N . VAL A 9 ? 0.4775 0.4904 0.5772 -0.0240 0.0166 0.0384 30 VAL A N 41 C CA . VAL A 9 ? 0.4928 0.4861 0.5996 -0.0256 0.0115 0.0351 30 VAL A CA 42 C C . VAL A 9 ? 0.4902 0.4912 0.5997 -0.0230 0.0132 0.0225 30 VAL A C 43 O O . VAL A 9 ? 0.4381 0.4605 0.5444 -0.0225 0.0200 0.0173 30 VAL A O 44 C CB . VAL A 9 ? 0.5289 0.5102 0.6402 -0.0396 0.0145 0.0446 30 VAL A CB 45 C CG1 . VAL A 9 ? 0.5699 0.5406 0.6788 -0.0418 0.0118 0.0570 30 VAL A CG1 46 C CG2 . VAL A 9 ? 0.5099 0.5093 0.6209 -0.0508 0.0258 0.0456 30 VAL A CG2 47 N N . CYS A 10 ? 0.5064 0.4894 0.6218 -0.0209 0.0069 0.0177 31 CYS A N 48 C CA . CYS A 10 ? 0.5253 0.5123 0.6440 -0.0197 0.0081 0.0065 31 CYS A CA 49 C C . CYS A 10 ? 0.5591 0.5327 0.6847 -0.0309 0.0094 0.0094 31 CYS A C 50 O O . CYS A 10 ? 0.6022 0.5547 0.7316 -0.0328 0.0034 0.0150 31 CYS A O 51 C CB . CYS A 10 ? 0.5511 0.5284 0.6708 -0.0060 -0.0013 -0.0032 31 CYS A CB 52 S SG . CYS A 10 ? 0.5281 0.5183 0.6404 0.0086 -0.0045 -0.0070 31 CYS A SG 53 N N . MET A 11 ? 0.5456 0.5313 0.6729 -0.0385 0.0172 0.0057 32 MET A N 54 C CA . MET A 11 ? 0.5589 0.5326 0.6929 -0.0494 0.0187 0.0080 32 MET A CA 55 C C . MET A 11 ? 0.5399 0.4954 0.6797 -0.0437 0.0105 0.0001 32 MET A C 56 O O . MET A 11 ? 0.5421 0.4991 0.6805 -0.0321 0.0057 -0.0094 32 MET A O 57 C CB . MET A 11 ? 0.4849 0.4766 0.6189 -0.0589 0.0293 0.0061 32 MET A CB 58 C CG . MET A 11 ? 0.4673 0.4707 0.6010 -0.0532 0.0308 -0.0069 32 MET A CG 59 S SD . MET A 11 ? 0.5655 0.5956 0.6960 -0.0623 0.0440 -0.0084 32 MET A SD 60 C CE . MET A 11 ? 0.3311 0.3685 0.4620 -0.0535 0.0430 -0.0245 32 MET A CE 61 N N . ASP A 12 ? 0.4917 0.4301 0.6380 -0.0519 0.0088 0.0040 33 ASP A N 62 C CA . ASP A 12 ? 0.5412 0.4612 0.6936 -0.0479 0.0012 -0.0028 33 ASP A CA 63 C C . ASP A 12 ? 0.5365 0.4659 0.6914 -0.0496 0.0056 -0.0132 33 ASP A C 64 O O . ASP A 12 ? 0.5428 0.4695 0.7025 -0.0602 0.0098 -0.0117 33 ASP A O 65 C CB . ASP A 12 ? 0.5570 0.4549 0.7156 -0.0564 -0.0022 0.0060 33 ASP A CB 66 C CG . ASP A 12 ? 0.5969 0.4742 0.7619 -0.0526 -0.0106 -0.0002 33 ASP A CG 67 O OD1 . ASP A 12 ? 0.6070 0.4869 0.7719 -0.0435 -0.0137 -0.0114 33 ASP A OD1 68 O OD2 . ASP A 12 ? 0.6458 0.5041 0.8162 -0.0589 -0.0140 0.0063 33 ASP A OD2 69 N N . ALA A 13 ? 0.5191 0.4597 0.6705 -0.0393 0.0047 -0.0236 34 ALA A N 70 C CA . ALA A 13 ? 0.4857 0.4360 0.6386 -0.0394 0.0085 -0.0343 34 ALA A CA 71 C C . ALA A 13 ? 0.5062 0.4494 0.6599 -0.0264 0.0006 -0.0458 34 ALA A C 72 O O . ALA A 13 ? 0.5894 0.5199 0.7427 -0.0176 -0.0080 -0.0454 34 ALA A O 73 C CB . ALA A 13 ? 0.4542 0.4316 0.6011 -0.0416 0.0185 -0.0360 34 ALA A CB 74 N N . LYS A 14 ? 0.4533 0.4051 0.6078 -0.0253 0.0035 -0.0561 35 LYS A N 75 C CA . LYS A 14 ? 0.4789 0.4208 0.6357 -0.0155 -0.0038 -0.0670 35 LYS A CA 76 C C . LYS A 14 ? 0.5533 0.4944 0.7061 -0.0008 -0.0109 -0.0716 35 LYS A C 77 O O . LYS A 14 ? 0.6005 0.5243 0.7562 0.0068 -0.0200 -0.0758 35 LYS A O 78 C CB . LYS A 14 ? 0.4963 0.4510 0.6534 -0.0168 0.0018 -0.0772 35 LYS A CB 79 C CG . LYS A 14 ? 0.5455 0.4889 0.7058 -0.0081 -0.0053 -0.0885 35 LYS A CG 80 C CD . LYS A 14 ? 0.5541 0.5118 0.7136 -0.0092 0.0008 -0.0984 35 LYS A CD 81 C CE . LYS A 14 ? 0.5725 0.5176 0.7356 -0.0016 -0.0062 -0.1093 35 LYS A CE 82 N NZ . LYS A 14 ? 0.5625 0.5224 0.7240 -0.0013 -0.0005 -0.1195 35 LYS A NZ 83 N N . HIS A 15 ? 0.5204 0.4801 0.6664 0.0034 -0.0069 -0.0711 36 HIS A N 84 C CA . HIS A 15 ? 0.4764 0.4377 0.6182 0.0178 -0.0131 -0.0763 36 HIS A CA 85 C C . HIS A 15 ? 0.4644 0.4265 0.6020 0.0203 -0.0148 -0.0672 36 HIS A C 86 O O . HIS A 15 ? 0.4466 0.4057 0.5815 0.0319 -0.0214 -0.0698 36 HIS A O 87 C CB . HIS A 15 ? 0.4529 0.4359 0.5900 0.0238 -0.0082 -0.0866 36 HIS A CB 88 C CG . HIS A 15 ? 0.4723 0.4553 0.6128 0.0229 -0.0068 -0.0965 36 HIS A CG 89 N ND1 . HIS A 15 ? 0.5014 0.4692 0.6453 0.0309 -0.0150 -0.1047 36 HIS A ND1 90 C CD2 . HIS A 15 ? 0.4490 0.4450 0.5896 0.0150 0.0016 -0.0997 36 HIS A CD2 91 C CE1 . HIS A 15 ? 0.5278 0.4992 0.6739 0.0279 -0.0116 -0.1124 36 HIS A CE1 92 N NE2 . HIS A 15 ? 0.4993 0.4878 0.6435 0.0184 -0.0015 -0.1096 36 HIS A NE2 93 N N . HIS A 16 ? 0.4506 0.4168 0.5877 0.0095 -0.0089 -0.0565 37 HIS A N 94 C CA . HIS A 16 ? 0.4802 0.4501 0.6125 0.0109 -0.0092 -0.0476 37 HIS A CA 95 C C . HIS A 16 ? 0.5224 0.4720 0.6557 0.0190 -0.0200 -0.0445 37 HIS A C 96 O O . HIS A 16 ? 0.5794 0.5078 0.7182 0.0178 -0.0262 -0.0440 37 HIS A O 97 C CB . HIS A 16 ? 0.4734 0.4470 0.6059 -0.0030 -0.0018 -0.0359 37 HIS A CB 98 C CG . HIS A 16 ? 0.4814 0.4797 0.6101 -0.0090 0.0091 -0.0367 37 HIS A CG 99 N ND1 . HIS A 16 ? 0.4808 0.4879 0.6116 -0.0138 0.0148 -0.0437 37 HIS A ND1 100 C CD2 . HIS A 16 ? 0.4738 0.4899 0.5968 -0.0110 0.0153 -0.0314 37 HIS A CD2 101 C CE1 . HIS A 16 ? 0.4651 0.4942 0.5914 -0.0185 0.0241 -0.0426 37 HIS A CE1 102 N NE2 . HIS A 16 ? 0.4651 0.5001 0.5867 -0.0169 0.0246 -0.0352 37 HIS A NE2 103 N N . LYS A 17 ? 0.4965 0.4524 0.6242 0.0272 -0.0222 -0.0426 38 LYS A N 104 C CA . LYS A 17 ? 0.5417 0.4792 0.6693 0.0330 -0.0314 -0.0371 38 LYS A CA 105 C C . LYS A 17 ? 0.5238 0.4502 0.6535 0.0215 -0.0300 -0.0239 38 LYS A C 106 O O . LYS A 17 ? 0.5181 0.4559 0.6472 0.0106 -0.0212 -0.0183 38 LYS A O 107 C CB . LYS A 17 ? 0.5366 0.4857 0.6574 0.0436 -0.0330 -0.0375 38 LYS A CB 108 C CG . LYS A 17 ? 0.5630 0.5210 0.6817 0.0566 -0.0359 -0.0502 38 LYS A CG 109 C CD . LYS A 17 ? 0.5760 0.5557 0.6876 0.0629 -0.0323 -0.0511 38 LYS A CD 110 C CE . LYS A 17 ? 0.6108 0.5832 0.7190 0.0682 -0.0380 -0.0433 38 LYS A CE 111 N NZ . LYS A 17 ? 0.6023 0.5966 0.7038 0.0723 -0.0334 -0.0426 38 LYS A NZ 112 N N . THR A 18 ? 0.5430 0.4473 0.6749 0.0239 -0.0386 -0.0189 39 THR A N 113 C CA . THR A 18 ? 0.5651 0.4578 0.6985 0.0139 -0.0379 -0.0061 39 THR A CA 114 C C . THR A 18 ? 0.5592 0.4665 0.6863 0.0113 -0.0324 0.0025 39 THR A C 115 O O . THR A 18 ? 0.5344 0.4430 0.6620 -0.0003 -0.0267 0.0120 39 THR A O 116 C CB . THR A 18 ? 0.6386 0.5051 0.7745 0.0187 -0.0489 -0.0026 39 THR A CB 117 O OG1 . THR A 18 ? 0.6602 0.5143 0.8009 0.0246 -0.0553 -0.0121 39 THR A OG1 118 C CG2 . THR A 18 ? 0.6642 0.5163 0.8037 0.0065 -0.0480 0.0095 39 THR A CG2 119 N N . LYS A 19 ? 0.5602 0.4786 0.6815 0.0221 -0.0342 -0.0009 40 LYS A N 120 C CA . LYS A 19 ? 0.5811 0.5124 0.6961 0.0215 -0.0303 0.0068 40 LYS A CA 121 C C . LYS A 19 ? 0.5657 0.5192 0.6751 0.0310 -0.0278 -0.0011 40 LYS A C 122 O O . LYS A 19 ? 0.5514 0.5049 0.6612 0.0414 -0.0324 -0.0116 40 LYS A O 123 C CB . LYS A 19 ? 0.6426 0.5560 0.7563 0.0252 -0.0382 0.0151 40 LYS A CB 124 N N . PRO A 20 ? 0.5693 0.5419 0.6734 0.0276 -0.0204 0.0038 41 PRO A N 125 C CA . PRO A 20 ? 0.5428 0.5384 0.6419 0.0353 -0.0168 -0.0036 41 PRO A CA 126 C C . PRO A 20 ? 0.5677 0.5609 0.6628 0.0492 -0.0247 -0.0058 41 PRO A C 127 O O . PRO A 20 ? 0.5798 0.5627 0.6730 0.0503 -0.0290 0.0027 41 PRO A O 128 C CB . PRO A 20 ? 0.5349 0.5488 0.6299 0.0261 -0.0070 0.0042 41 PRO A CB 129 C CG . PRO A 20 ? 0.5339 0.5349 0.6325 0.0127 -0.0046 0.0144 41 PRO A CG 130 C CD . PRO A 20 ? 0.5580 0.5322 0.6608 0.0161 -0.0147 0.0162 41 PRO A CD 131 N N . GLY A 21 ? 0.5744 0.5772 0.6681 0.0600 -0.0265 -0.0170 42 GLY A N 132 C CA . GLY A 21 ? 0.5470 0.5490 0.6369 0.0737 -0.0338 -0.0198 42 GLY A CA 133 C C . GLY A 21 ? 0.5415 0.5666 0.6275 0.0819 -0.0303 -0.0293 42 GLY A C 134 O O . GLY A 21 ? 0.5476 0.5884 0.6339 0.0772 -0.0226 -0.0345 42 GLY A O 135 N N . PRO A 22 ? 0.5105 0.5378 0.5925 0.0941 -0.0360 -0.0316 43 PRO A N 136 C CA . PRO A 22 ? 0.5298 0.5780 0.6083 0.1033 -0.0337 -0.0414 43 PRO A CA 137 C C . PRO A 22 ? 0.5552 0.6000 0.6373 0.1088 -0.0364 -0.0536 43 PRO A C 138 O O . PRO A 22 ? 0.5639 0.5876 0.6499 0.1126 -0.0445 -0.0555 43 PRO A O 139 C CB . PRO A 22 ? 0.5695 0.6147 0.6440 0.1154 -0.0412 -0.0403 43 PRO A CB 140 C CG . PRO A 22 ? 0.5791 0.6059 0.6539 0.1103 -0.0452 -0.0279 43 PRO A CG 141 C CD . PRO A 22 ? 0.5458 0.5559 0.6265 0.1002 -0.0450 -0.0255 43 PRO A CD 142 N N . GLU A 23 ? 0.5418 0.6069 0.6227 0.1091 -0.0296 -0.0617 44 GLU A N 143 C CA . GLU A 23 ? 0.5433 0.6080 0.6268 0.1150 -0.0315 -0.0740 44 GLU A CA 144 C C . GLU A 23 ? 0.5537 0.6412 0.6329 0.1238 -0.0284 -0.0830 44 GLU A C 145 O O . GLU A 23 ? 0.5243 0.6304 0.6023 0.1190 -0.0197 -0.0868 44 GLU A O 146 C CB . GLU A 23 ? 0.4903 0.5539 0.5781 0.1037 -0.0256 -0.0754 44 GLU A CB 147 C CG . GLU A 23 ? 0.4806 0.5208 0.5735 0.0954 -0.0291 -0.0681 44 GLU A CG 148 C CD . GLU A 23 ? 0.5234 0.5407 0.6201 0.1038 -0.0400 -0.0727 44 GLU A CD 149 O OE1 . GLU A 23 ? 0.5213 0.5411 0.6169 0.1159 -0.0446 -0.0823 44 GLU A OE1 150 O OE2 . GLU A 23 ? 0.5381 0.5349 0.6390 0.0981 -0.0439 -0.0666 44 GLU A OE2 151 N N . ASP A 24 ? 0.5885 0.6742 0.6654 0.1368 -0.0355 -0.0865 45 ASP A N 152 C CA . ASP A 24 ? 0.6119 0.7188 0.6843 0.1460 -0.0333 -0.0941 45 ASP A CA 153 C C . ASP A 24 ? 0.5632 0.6826 0.6365 0.1478 -0.0290 -0.1060 45 ASP A C 154 O O . ASP A 24 ? 0.5146 0.6566 0.5842 0.1502 -0.0229 -0.1106 45 ASP A O 155 C CB . ASP A 24 ? 0.6973 0.7965 0.7681 0.1603 -0.0431 -0.0967 45 ASP A CB 156 C CG . ASP A 24 ? 0.7949 0.9157 0.8613 0.1704 -0.0412 -0.1046 45 ASP A CG 157 O OD1 . ASP A 24 ? 0.8412 0.9805 0.9035 0.1677 -0.0349 -0.1006 45 ASP A OD1 158 O OD2 . ASP A 24 ? 0.8240 0.9434 0.8910 0.1810 -0.0460 -0.1149 45 ASP A OD2 159 N N . LYS A 25 ? 0.5252 0.6301 0.6031 0.1469 -0.0320 -0.1110 46 LYS A N 160 C CA . LYS A 25 ? 0.4968 0.6112 0.5753 0.1507 -0.0295 -0.1232 46 LYS A CA 161 C C . LYS A 25 ? 0.4591 0.5795 0.5398 0.1384 -0.0210 -0.1238 46 LYS A C 162 O O . LYS A 25 ? 0.4632 0.5837 0.5459 0.1400 -0.0204 -0.1330 46 LYS A O 163 C CB . LYS A 25 ? 0.5584 0.6548 0.6399 0.1611 -0.0394 -0.1311 46 LYS A CB 164 C CG . LYS A 25 ? 0.6282 0.7151 0.7081 0.1727 -0.0488 -0.1296 46 LYS A CG 165 C CD . LYS A 25 ? 0.6983 0.7810 0.7786 0.1866 -0.0560 -0.1412 46 LYS A CD 166 C CE . LYS A 25 ? 0.7632 0.8423 0.8406 0.1985 -0.0638 -0.1400 46 LYS A CE 167 N NZ . LYS A 25 ? 0.8022 0.8901 0.8777 0.2124 -0.0670 -0.1518 46 LYS A NZ 168 N N . LEU A 26 ? 0.4056 0.5310 0.4858 0.1264 -0.0143 -0.1141 47 LEU A N 169 C CA . LEU A 26 ? 0.4206 0.5536 0.5023 0.1143 -0.0055 -0.1143 47 LEU A CA 170 C C . LEU A 26 ? 0.4562 0.6113 0.5350 0.1181 0.0006 -0.1247 47 LEU A C 171 O O . LEU A 26 ? 0.4542 0.6257 0.5285 0.1253 0.0019 -0.1275 47 LEU A O 172 C CB . LEU A 26 ? 0.3478 0.4865 0.4283 0.1020 0.0013 -0.1024 47 LEU A CB 173 C CG . LEU A 26 ? 0.3584 0.4742 0.4424 0.0964 -0.0039 -0.0921 47 LEU A CG 174 C CD1 . LEU A 26 ? 0.3801 0.5021 0.4626 0.0841 0.0031 -0.0804 47 LEU A CD1 175 C CD2 . LEU A 26 ? 0.3152 0.4121 0.4054 0.0927 -0.0072 -0.0952 47 LEU A CD2 176 N N . HIS A 27 ? 0.4461 0.6010 0.5274 0.1135 0.0040 -0.1308 48 HIS A N 177 C CA . HIS A 27 ? 0.4747 0.6467 0.5537 0.1184 0.0081 -0.1422 48 HIS A CA 178 C C . HIS A 27 ? 0.4759 0.6718 0.5513 0.1101 0.0196 -0.1407 48 HIS A C 179 O O . HIS A 27 ? 0.4829 0.6790 0.5595 0.0976 0.0254 -0.1339 48 HIS A O 180 C CB . HIS A 27 ? 0.4894 0.6498 0.5727 0.1185 0.0059 -0.1504 48 HIS A CB 181 C CG . HIS A 27 ? 0.4926 0.6640 0.5709 0.1197 0.0083 -0.1574 48 HIS A CG 182 N ND1 . HIS A 27 ? 0.5105 0.6844 0.5856 0.1064 0.0140 -0.1539 48 HIS A ND1 183 C CD2 . HIS A 27 ? 0.4383 0.6103 0.5104 0.1256 0.0034 -0.1589 48 HIS A CD2 184 C CE1 . HIS A 27 ? 0.4912 0.6665 0.5593 0.1048 0.0121 -0.1531 48 HIS A CE1 185 N NE2 . HIS A 27 ? 0.4419 0.6169 0.5083 0.1159 0.0061 -0.1563 48 HIS A NE2 186 N N . ASP A 28 ? 0.5158 0.5498 0.5378 0.0274 -0.0075 -0.0498 49 ASP A N 187 C CA . ASP A 28 ? 0.4777 0.5160 0.5026 0.0233 -0.0118 -0.0497 49 ASP A CA 188 C C . ASP A 28 ? 0.4735 0.5152 0.5028 0.0221 -0.0168 -0.0514 49 ASP A C 189 O O . ASP A 28 ? 0.4928 0.5433 0.5280 0.0243 -0.0166 -0.0503 49 ASP A O 190 C CB . ASP A 28 ? 0.4890 0.5188 0.5075 0.0199 -0.0134 -0.0511 49 ASP A CB 191 C CG . ASP A 28 ? 0.5364 0.5698 0.5574 0.0158 -0.0162 -0.0503 49 ASP A CG 192 O OD1 . ASP A 28 ? 0.5540 0.5974 0.5820 0.0153 -0.0166 -0.0489 49 ASP A OD1 193 O OD2 . ASP A 28 ? 0.5577 0.5841 0.5736 0.0132 -0.0179 -0.0512 49 ASP A OD2 194 N N . GLN A 29 ? 0.4641 0.4993 0.4906 0.0189 -0.0214 -0.0542 50 GLN A N 195 C CA . GLN A 29 ? 0.4565 0.4953 0.4874 0.0171 -0.0265 -0.0559 50 GLN A CA 196 C C . GLN A 29 ? 0.4673 0.5084 0.5010 0.0203 -0.0266 -0.0567 50 GLN A C 197 O O . GLN A 29 ? 0.4694 0.5179 0.5088 0.0200 -0.0295 -0.0568 50 GLN A O 198 C CB . GLN A 29 ? 0.4073 0.4383 0.4342 0.0133 -0.0313 -0.0587 50 GLN A CB 199 C CG . GLN A 29 ? 0.4066 0.4385 0.4335 0.0097 -0.0322 -0.0574 50 GLN A CG 200 C CD . GLN A 29 ? 0.4056 0.4297 0.4282 0.0065 -0.0367 -0.0597 50 GLN A CD 201 O OE1 . GLN A 29 ? 0.4100 0.4270 0.4263 0.0056 -0.0359 -0.0595 50 GLN A OE1 202 N NE2 . GLN A 29 ? 0.3607 0.3864 0.3867 0.0050 -0.0414 -0.0618 50 GLN A NE2 203 N N . CYS A 30 ? 0.4341 0.4691 0.4640 0.0234 -0.0232 -0.0572 51 CYS A N 204 C CA . CYS A 30 ? 0.4307 0.4667 0.4628 0.0266 -0.0224 -0.0578 51 CYS A CA 205 C C . CYS A 30 ? 0.4327 0.4782 0.4696 0.0309 -0.0184 -0.0542 51 CYS A C 206 O O . CYS A 30 ? 0.4211 0.4693 0.4606 0.0338 -0.0180 -0.0540 51 CYS A O 207 C CB . CYS A 30 ? 0.4627 0.4880 0.4891 0.0279 -0.0200 -0.0603 51 CYS A CB 208 S SG . CYS A 30 ? 0.4841 0.4993 0.5048 0.0237 -0.0250 -0.0651 51 CYS A SG 209 N N . SER A 31 ? 0.4108 0.4617 0.4488 0.0316 -0.0154 -0.0513 52 SER A N 210 C CA . SER A 31 ? 0.4274 0.4873 0.4693 0.0363 -0.0112 -0.0479 52 SER A CA 211 C C . SER A 31 ? 0.4385 0.5091 0.4869 0.0380 -0.0138 -0.0473 52 SER A C 212 O O . SER A 31 ? 0.4291 0.5053 0.4797 0.0431 -0.0104 -0.0450 52 SER A O 213 C CB . SER A 31 ? 0.4239 0.4895 0.4666 0.0364 -0.0082 -0.0453 52 SER A CB 214 O OG . SER A 31 ? 0.3781 0.4511 0.4250 0.0325 -0.0119 -0.0455 52 SER A OG 215 N N . PRO A 32 ? 0.4507 0.5245 0.5023 0.0340 -0.0196 -0.0494 53 PRO A N 216 C CA . PRO A 32 ? 0.4333 0.5177 0.4911 0.0358 -0.0219 -0.0491 53 PRO A CA 217 C C . PRO A 32 ? 0.4310 0.5114 0.4875 0.0396 -0.0209 -0.0495 53 PRO A C 218 O O . PRO A 32 ? 0.4229 0.5120 0.4838 0.0426 -0.0216 -0.0486 53 PRO A O 219 C CB . PRO A 32 ? 0.4135 0.4992 0.4739 0.0302 -0.0283 -0.0520 53 PRO A CB 220 C CG . PRO A 32 ? 0.4048 0.4856 0.4622 0.0262 -0.0281 -0.0522 53 PRO A CG 221 C CD . PRO A 32 ? 0.4171 0.4871 0.4675 0.0282 -0.0238 -0.0516 53 PRO A CD 222 N N . TRP A 33 ? 0.4497 0.5172 0.5002 0.0395 -0.0192 -0.0510 54 TRP A N 223 C CA . TRP A 33 ? 0.4824 0.5443 0.5312 0.0426 -0.0174 -0.0518 54 TRP A CA 224 C C . TRP A 33 ? 0.4621 0.5218 0.5087 0.0482 -0.0100 -0.0488 54 TRP A C 225 O O . TRP A 33 ? 0.4199 0.4734 0.4645 0.0510 -0.0071 -0.0493 54 TRP A O 226 C CB . TRP A 33 ? 0.4849 0.5339 0.5286 0.0390 -0.0195 -0.0560 54 TRP A CB 227 C CG . TRP A 33 ? 0.4928 0.5424 0.5384 0.0347 -0.0265 -0.0591 54 TRP A CG 228 C CD1 . TRP A 33 ? 0.4956 0.5453 0.5430 0.0351 -0.0292 -0.0609 54 TRP A CD1 229 C CD2 . TRP A 33 ? 0.4836 0.5333 0.5292 0.0296 -0.0314 -0.0607 54 TRP A CD2 230 N NE1 . TRP A 33 ? 0.5072 0.5573 0.5559 0.0305 -0.0356 -0.0637 54 TRP A NE1 231 C CE2 . TRP A 33 ? 0.5063 0.5563 0.5539 0.0272 -0.0370 -0.0635 54 TRP A CE2 232 C CE3 . TRP A 33 ? 0.4884 0.5377 0.5324 0.0270 -0.0313 -0.0599 54 TRP A CE3 233 C CZ2 . TRP A 33 ? 0.5054 0.5550 0.5534 0.0223 -0.0424 -0.0656 54 TRP A CZ2 234 C CZ3 . TRP A 33 ? 0.5289 0.5776 0.5732 0.0223 -0.0364 -0.0618 54 TRP A CZ3 235 C CH2 . TRP A 33 ? 0.5099 0.5587 0.5562 0.0200 -0.0419 -0.0646 54 TRP A CH2 236 N N . LYS A 34 ? 0.4784 0.5432 0.5254 0.0500 -0.0066 -0.0459 55 LYS A N 237 C CA . LYS A 34 ? 0.5367 0.5976 0.5808 0.0548 0.0007 -0.0434 55 LYS A CA 238 C C . LYS A 34 ? 0.5387 0.6039 0.5846 0.0614 0.0046 -0.0405 55 LYS A C 239 O O . LYS A 34 ? 0.5669 0.6265 0.6098 0.0656 0.0109 -0.0388 55 LYS A O 240 C CB . LYS A 34 ? 0.5487 0.6138 0.5926 0.0550 0.0033 -0.0411 55 LYS A CB 241 C CG . LYS A 34 ? 0.6017 0.6822 0.6515 0.0574 0.0028 -0.0381 55 LYS A CG 242 C CD . LYS A 34 ? 0.6722 0.7566 0.7221 0.0560 0.0044 -0.0367 55 LYS A CD 243 C CE . LYS A 34 ? 0.7150 0.8155 0.7710 0.0588 0.0047 -0.0340 55 LYS A CE 244 N NZ . LYS A 34 ? 0.7423 0.8491 0.8012 0.0538 0.0017 -0.0349 55 LYS A NZ 245 N N . LYS A 35 ? 0.5433 0.6182 0.5940 0.0627 0.0011 -0.0399 56 LYS A N 246 C CA . LYS A 35 ? 0.5474 0.6268 0.5994 0.0695 0.0048 -0.0369 56 LYS A CA 247 C C . LYS A 35 ? 0.5712 0.6403 0.6206 0.0701 0.0057 -0.0387 56 LYS A C 248 O O . LYS A 35 ? 0.5797 0.6471 0.6280 0.0759 0.0110 -0.0362 56 LYS A O 249 C CB . LYS A 35 ? 0.5478 0.6433 0.6059 0.0712 0.0012 -0.0353 56 LYS A CB 250 N N . ASN A 36 ? 0.5075 0.5699 0.5559 0.0643 0.0008 -0.0431 57 ASN A N 251 C CA . ASN A 36 ? 0.5330 0.5860 0.5794 0.0638 0.0010 -0.0458 57 ASN A CA 252 C C . ASN A 36 ? 0.5162 0.5606 0.5602 0.0570 -0.0038 -0.0510 57 ASN A C 253 O O . ASN A 36 ? 0.5187 0.5677 0.5653 0.0529 -0.0104 -0.0529 57 ASN A O 254 C CB . ASN A 36 ? 0.5536 0.6149 0.6040 0.0660 -0.0021 -0.0451 57 ASN A CB 255 C CG . ASN A 36 ? 0.5540 0.6071 0.6024 0.0686 0.0012 -0.0458 57 ASN A CG 256 O OD1 . ASN A 36 ? 0.5724 0.6168 0.6172 0.0718 0.0081 -0.0447 57 ASN A OD1 257 N ND2 . ASN A 36 ? 0.5270 0.5827 0.5778 0.0673 -0.0035 -0.0477 57 ASN A ND2 258 N N . ALA A 37 ? 0.4596 0.4920 0.4989 0.0557 -0.0003 -0.0533 58 ALA A N 259 C CA . ALA A 37 ? 0.4135 0.4383 0.4499 0.0498 -0.0046 -0.0582 58 ALA A CA 260 C C . ALA A 37 ? 0.5211 0.5339 0.5540 0.0489 -0.0023 -0.0624 58 ALA A C 261 O O . ALA A 37 ? 0.5489 0.5566 0.5805 0.0526 0.0044 -0.0615 58 ALA A O 262 C CB . ALA A 37 ? 0.3286 0.3523 0.3626 0.0475 -0.0043 -0.0580 58 ALA A CB 263 N N . CYS A 38 ? 0.4986 0.5069 0.5302 0.0440 -0.0077 -0.0672 59 CYS A N 264 C CA . CYS A 38 ? 0.4452 0.4427 0.4735 0.0424 -0.0061 -0.0723 59 CYS A CA 265 C C . CYS A 38 ? 0.4439 0.4343 0.4675 0.0400 -0.0047 -0.0751 59 CYS A C 266 O O . CYS A 38 ? 0.4563 0.4381 0.4770 0.0387 -0.0029 -0.0798 59 CYS A O 267 C CB . CYS A 38 ? 0.3734 0.3705 0.4029 0.0391 -0.0125 -0.0763 59 CYS A CB 268 S SG . CYS A 38 ? 0.5349 0.5369 0.5689 0.0425 -0.0120 -0.0742 59 CYS A SG 269 N N . CYS A 39 ? 0.4362 0.4308 0.4592 0.0395 -0.0055 -0.0725 60 CYS A N 270 C CA . CYS A 39 ? 0.4791 0.4682 0.4975 0.0375 -0.0045 -0.0746 60 CYS A CA 271 C C . CYS A 39 ? 0.5057 0.4941 0.5229 0.0410 0.0029 -0.0713 60 CYS A C 272 O O . CYS A 39 ? 0.5077 0.5023 0.5278 0.0447 0.0057 -0.0664 60 CYS A O 273 C CB . CYS A 39 ? 0.5083 0.5017 0.5262 0.0341 -0.0107 -0.0742 60 CYS A CB 274 S SG . CYS A 39 ? 0.3825 0.3880 0.4050 0.0356 -0.0113 -0.0678 60 CYS A SG 275 N N . THR A 40 ? 0.5153 0.4966 0.5282 0.0401 0.0059 -0.0742 61 THR A N 276 C CA . THR A 40 ? 0.5101 0.4906 0.5216 0.0430 0.0124 -0.0714 61 THR A CA 277 C C . THR A 40 ? 0.4860 0.4716 0.4965 0.0416 0.0100 -0.0688 61 THR A C 278 O O . THR A 40 ? 0.4826 0.4703 0.4926 0.0380 0.0036 -0.0700 61 THR A O 279 C CB . THR A 40 ? 0.5541 0.5249 0.5616 0.0427 0.0174 -0.0759 61 THR A CB 280 O OG1 . THR A 40 ? 0.5382 0.5062 0.5420 0.0387 0.0131 -0.0803 61 THR A OG1 281 C CG2 . THR A 40 ? 0.5574 0.5224 0.5660 0.0435 0.0202 -0.0792 61 THR A CG2 282 N N . ALA A 41 ? 0.4816 0.4688 0.4917 0.0443 0.0152 -0.0653 62 ALA A N 283 C CA . ALA A 41 ? 0.5085 0.5003 0.5176 0.0431 0.0138 -0.0628 62 ALA A CA 284 C C . ALA A 41 ? 0.5197 0.5056 0.5238 0.0393 0.0111 -0.0671 62 ALA A C 285 O O . ALA A 41 ? 0.5055 0.4941 0.5087 0.0364 0.0062 -0.0667 62 ALA A O 286 C CB . ALA A 41 ? 0.4967 0.4903 0.5059 0.0469 0.0206 -0.0590 62 ALA A CB 287 N N . SER A 42 ? 0.5328 0.5106 0.5335 0.0395 0.0146 -0.0712 63 SER A N 288 C CA . SER A 42 ? 0.5758 0.5480 0.5714 0.0366 0.0124 -0.0760 63 SER A CA 289 C C . SER A 42 ? 0.5540 0.5267 0.5490 0.0330 0.0046 -0.0786 63 SER A C 290 O O . SER A 42 ? 0.5645 0.5370 0.5560 0.0307 0.0010 -0.0794 63 SER A O 291 C CB . SER A 42 ? 0.6411 0.6054 0.6346 0.0373 0.0173 -0.0810 63 SER A CB 292 O OG . SER A 42 ? 0.6910 0.6508 0.6795 0.0349 0.0156 -0.0861 63 SER A OG 293 N N . THR A 43 ? 0.5027 0.4759 0.5009 0.0328 0.0022 -0.0798 64 THR A N 294 C CA . THR A 43 ? 0.5040 0.4777 0.5021 0.0297 -0.0052 -0.0823 64 THR A CA 295 C C . THR A 43 ? 0.5127 0.4933 0.5126 0.0283 -0.0096 -0.0781 64 THR A C 296 O O . THR A 43 ? 0.5087 0.4885 0.5057 0.0256 -0.0144 -0.0794 64 THR A O 297 C CB . THR A 43 ? 0.5199 0.4932 0.5215 0.0298 -0.0066 -0.0842 64 THR A CB 298 O OG1 . THR A 43 ? 0.5478 0.5140 0.5475 0.0301 -0.0031 -0.0894 64 THR A OG1 299 C CG2 . THR A 43 ? 0.4811 0.4564 0.4833 0.0267 -0.0145 -0.0860 64 THR A CG2 300 N N . SER A 44 ? 0.4921 0.4795 0.4966 0.0302 -0.0077 -0.0731 65 SER A N 301 C CA . SER A 44 ? 0.4804 0.4750 0.4875 0.0288 -0.0112 -0.0695 65 SER A CA 302 C C . SER A 44 ? 0.5215 0.5150 0.5245 0.0273 -0.0110 -0.0685 65 SER A C 303 O O . SER A 44 ? 0.5184 0.5143 0.5214 0.0247 -0.0152 -0.0676 65 SER A O 304 C CB . SER A 44 ? 0.4595 0.4624 0.4722 0.0318 -0.0083 -0.0647 65 SER A CB 305 O OG . SER A 44 ? 0.4485 0.4519 0.4600 0.0343 -0.0024 -0.0620 65 SER A OG 306 N N . GLN A 45 ? 0.5629 0.5524 0.5624 0.0290 -0.0059 -0.0688 66 GLN A N 307 C CA . GLN A 45 ? 0.6004 0.5881 0.5952 0.0280 -0.0051 -0.0682 66 GLN A CA 308 C C . GLN A 45 ? 0.5587 0.5405 0.5480 0.0254 -0.0095 -0.0724 66 GLN A C 309 O O . GLN A 45 ? 0.5680 0.5501 0.5547 0.0234 -0.0123 -0.0713 66 GLN A O 310 C CB . GLN A 45 ? 0.6599 0.6446 0.6522 0.0306 0.0016 -0.0681 66 GLN A CB 311 C CG . GLN A 45 ? 0.7357 0.7263 0.7317 0.0334 0.0064 -0.0632 66 GLN A CG 312 C CD . GLN A 45 ? 0.8264 0.8134 0.8192 0.0356 0.0127 -0.0632 66 GLN A CD 313 O OE1 . GLN A 45 ? 0.8266 0.8107 0.8200 0.0383 0.0174 -0.0641 66 GLN A OE1 314 N NE2 . GLN A 45 ? 0.8746 0.8612 0.8636 0.0344 0.0129 -0.0624 66 GLN A NE2 315 N N . GLU A 46 ? 0.5622 0.5386 0.5496 0.0255 -0.0098 -0.0773 67 GLU A N 316 C CA . GLU A 46 ? 0.5570 0.5283 0.5388 0.0237 -0.0136 -0.0818 67 GLU A CA 317 C C . GLU A 46 ? 0.5280 0.5007 0.5103 0.0211 -0.0205 -0.0818 67 GLU A C 318 O O . GLU A 46 ? 0.4965 0.4667 0.4738 0.0197 -0.0237 -0.0831 67 GLU A O 319 C CB . GLU A 46 ? 0.5890 0.5551 0.5694 0.0244 -0.0121 -0.0877 67 GLU A CB 320 C CG . GLU A 46 ? 0.6551 0.6168 0.6301 0.0252 -0.0085 -0.0908 67 GLU A CG 321 C CD . GLU A 46 ? 0.7380 0.6972 0.7067 0.0237 -0.0131 -0.0942 67 GLU A CD 322 O OE1 . GLU A 46 ? 0.7782 0.7362 0.7465 0.0223 -0.0181 -0.0977 67 GLU A OE1 323 O OE2 . GLU A 46 ? 0.7671 0.7255 0.7310 0.0241 -0.0118 -0.0934 67 GLU A OE2 324 N N . LEU A 47 ? 0.5261 0.5031 0.5142 0.0207 -0.0227 -0.0803 68 LEU A N 325 C CA . LEU A 47 ? 0.5467 0.5247 0.5356 0.0182 -0.0291 -0.0809 68 LEU A CA 326 C C . LEU A 47 ? 0.5556 0.5364 0.5440 0.0165 -0.0309 -0.0771 68 LEU A C 327 O O . LEU A 47 ? 0.5292 0.5097 0.5172 0.0143 -0.0359 -0.0776 68 LEU A O 328 C CB . LEU A 47 ? 0.5622 0.5442 0.5575 0.0181 -0.0310 -0.0809 68 LEU A CB 329 C CG . LEU A 47 ? 0.5303 0.5197 0.5321 0.0197 -0.0281 -0.0763 68 LEU A CG 330 C CD1 . LEU A 47 ? 0.5282 0.5235 0.5328 0.0176 -0.0311 -0.0728 68 LEU A CD1 331 C CD2 . LEU A 47 ? 0.4839 0.4751 0.4903 0.0208 -0.0285 -0.0774 68 LEU A CD2 332 N N . HIS A 48 ? 0.5523 0.5355 0.5408 0.0174 -0.0265 -0.0733 69 HIS A N 333 C CA . HIS A 48 ? 0.5261 0.5115 0.5140 0.0157 -0.0272 -0.0698 69 HIS A CA 334 C C . HIS A 48 ? 0.5740 0.5531 0.5537 0.0152 -0.0278 -0.0710 69 HIS A C 335 O O . HIS A 48 ? 0.5924 0.5715 0.5704 0.0135 -0.0289 -0.0685 69 HIS A O 336 C CB . HIS A 48 ? 0.4444 0.4357 0.4359 0.0169 -0.0222 -0.0653 69 HIS A CB 337 C CG . HIS A 48 ? 0.4191 0.4185 0.4187 0.0170 -0.0226 -0.0631 69 HIS A CG 338 N ND1 . HIS A 48 ? 0.4328 0.4343 0.4362 0.0192 -0.0215 -0.0640 69 HIS A ND1 339 C CD2 . HIS A 48 ? 0.4146 0.4211 0.4194 0.0153 -0.0238 -0.0603 69 HIS A CD2 340 C CE1 . HIS A 48 ? 0.4293 0.4391 0.4394 0.0192 -0.0222 -0.0617 69 HIS A CE1 341 N NE2 . HIS A 48 ? 0.4262 0.4395 0.4376 0.0167 -0.0237 -0.0596 69 HIS A NE2 342 N N . LYS A 49 ? 0.5527 0.5267 0.5276 0.0167 -0.0270 -0.0749 70 LYS A N 343 C CA . LYS A 49 ? 0.5694 0.5383 0.5363 0.0170 -0.0269 -0.0764 70 LYS A CA 344 C C . LYS A 49 ? 0.6103 0.5753 0.5729 0.0158 -0.0327 -0.0793 70 LYS A C 345 O O . LYS A 49 ? 0.6372 0.6020 0.6021 0.0152 -0.0362 -0.0824 70 LYS A O 346 C CB . LYS A 49 ? 0.6363 0.6023 0.6001 0.0193 -0.0229 -0.0797 70 LYS A CB 347 C CG . LYS A 49 ? 0.6715 0.6406 0.6390 0.0210 -0.0167 -0.0769 70 LYS A CG 348 C CD . LYS A 49 ? 0.7349 0.7007 0.6999 0.0230 -0.0126 -0.0808 70 LYS A CD 349 C CE . LYS A 49 ? 0.8002 0.7679 0.7664 0.0249 -0.0062 -0.0775 70 LYS A CE 350 N NZ . LYS A 49 ? 0.8388 0.8066 0.8004 0.0246 -0.0052 -0.0747 70 LYS A NZ 351 N N . ASP A 50 ? 0.6253 0.5872 0.5815 0.0157 -0.0336 -0.0783 71 ASP A N 352 C CA . ASP A 50 ? 0.6518 0.6096 0.6027 0.0154 -0.0387 -0.0812 71 ASP A CA 353 C C . ASP A 50 ? 0.6679 0.6230 0.6150 0.0172 -0.0392 -0.0874 71 ASP A C 354 O O . ASP A 50 ? 0.6632 0.6176 0.6077 0.0189 -0.0352 -0.0887 71 ASP A O 355 C CB . ASP A 50 ? 0.6765 0.6313 0.6207 0.0154 -0.0389 -0.0783 71 ASP A CB 356 C CG . ASP A 50 ? 0.7231 0.6796 0.6710 0.0129 -0.0401 -0.0737 71 ASP A CG 357 O OD1 . ASP A 50 ? 0.7376 0.6945 0.6888 0.0113 -0.0443 -0.0746 71 ASP A OD1 358 O OD2 . ASP A 50 ? 0.7256 0.6830 0.6734 0.0124 -0.0366 -0.0694 71 ASP A OD2 359 N N . THR A 51 ? 0.6594 0.6133 0.6066 0.0167 -0.0440 -0.0914 72 THR A N 360 C CA . THR A 51 ? 0.6358 0.5878 0.5803 0.0180 -0.0447 -0.0981 72 THR A CA 361 C C . THR A 51 ? 0.5970 0.5504 0.5453 0.0188 -0.0392 -0.0995 72 THR A C 362 O O . THR A 51 ? 0.5895 0.5414 0.5337 0.0204 -0.0360 -0.1022 72 THR A O 363 C CB . THR A 51 ? 0.6401 0.5891 0.5753 0.0199 -0.0456 -0.1006 72 THR A CB 364 O OG1 . THR A 51 ? 0.6509 0.5981 0.5821 0.0195 -0.0497 -0.0980 72 THR A OG1 365 C CG2 . THR A 51 ? 0.5973 0.5452 0.5302 0.0209 -0.0475 -0.1084 72 THR A CG2 366 N N . SER A 52 ? 0.5804 0.5365 0.5362 0.0179 -0.0379 -0.0977 73 SER A N 367 C CA . SER A 52 ? 0.5740 0.5310 0.5338 0.0190 -0.0325 -0.0985 73 SER A CA 368 C C . SER A 52 ? 0.5659 0.5200 0.5239 0.0196 -0.0319 -0.1057 73 SER A C 369 O O . SER A 52 ? 0.5373 0.4898 0.4926 0.0191 -0.0365 -0.1103 73 SER A O 370 C CB . SER A 52 ? 0.5810 0.5416 0.5488 0.0183 -0.0321 -0.0957 73 SER A CB 371 O OG . SER A 52 ? 0.6874 0.6513 0.6576 0.0170 -0.0347 -0.0907 73 SER A OG 372 N N . ARG A 53 ? 0.5280 0.4815 0.4878 0.0209 -0.0259 -0.1068 74 ARG A N 373 C CA . ARG A 53 ? 0.5549 0.5058 0.5146 0.0212 -0.0241 -0.1138 74 ARG A CA 374 C C . ARG A 53 ? 0.5662 0.5172 0.5317 0.0202 -0.0252 -0.1154 74 ARG A C 375 O O . ARG A 53 ? 0.6035 0.5522 0.5697 0.0201 -0.0238 -0.1214 74 ARG A O 376 C CB . ARG A 53 ? 0.5265 0.4760 0.4861 0.0227 -0.0167 -0.1143 74 ARG A CB 377 N N . LEU A 54 ? 0.5284 0.4824 0.4984 0.0196 -0.0273 -0.1103 75 LEU A N 378 C CA . LEU A 54 ? 0.5104 0.4652 0.4858 0.0189 -0.0286 -0.1114 75 LEU A CA 379 C C . LEU A 54 ? 0.5650 0.5181 0.5385 0.0174 -0.0342 -0.1175 75 LEU A C 380 O O . LEU A 54 ? 0.5448 0.4962 0.5204 0.0171 -0.0332 -0.1225 75 LEU A O 381 C CB . LEU A 54 ? 0.5359 0.4954 0.5161 0.0185 -0.0306 -0.1050 75 LEU A CB 382 C CG . LEU A 54 ? 0.5590 0.5216 0.5432 0.0203 -0.0252 -0.0991 75 LEU A CG 383 C CD1 . LEU A 54 ? 0.5505 0.5187 0.5402 0.0198 -0.0280 -0.0945 75 LEU A CD1 384 C CD2 . LEU A 54 ? 0.6031 0.5633 0.5894 0.0222 -0.0188 -0.1008 75 LEU A CD2 385 N N . TYR A 55 ? 0.5957 0.5493 0.5653 0.0166 -0.0399 -0.1172 76 TYR A N 386 C CA . TYR A 55 ? 0.5724 0.5249 0.5397 0.0155 -0.0456 -0.1228 76 TYR A CA 387 C C . TYR A 55 ? 0.5910 0.5421 0.5506 0.0161 -0.0485 -0.1246 76 TYR A C 388 O O . TYR A 55 ? 0.6243 0.5748 0.5809 0.0157 -0.0536 -0.1290 76 TYR A O 389 C CB . TYR A 55 ? 0.5900 0.5448 0.5613 0.0140 -0.0508 -0.1203 76 TYR A CB 390 C CG . TYR A 55 ? 0.5731 0.5300 0.5517 0.0138 -0.0482 -0.1184 76 TYR A CG 391 C CD1 . TYR A 55 ? 0.5187 0.4742 0.5000 0.0134 -0.0478 -0.1234 76 TYR A CD1 392 C CD2 . TYR A 55 ? 0.5545 0.5148 0.5372 0.0143 -0.0459 -0.1116 76 TYR A CD2 393 C CE1 . TYR A 55 ? 0.5179 0.4750 0.5053 0.0137 -0.0450 -0.1214 76 TYR A CE1 394 C CE2 . TYR A 55 ? 0.5371 0.4998 0.5261 0.0148 -0.0435 -0.1097 76 TYR A CE2 395 C CZ . TYR A 55 ? 0.5275 0.4882 0.5185 0.0147 -0.0430 -0.1144 76 TYR A CZ 396 O OH . TYR A 55 ? 0.5080 0.4707 0.5047 0.0156 -0.0403 -0.1124 76 TYR A OH 397 N N . ASN A 56 ? 0.5808 0.5317 0.5370 0.0173 -0.0453 -0.1213 77 ASN A N 398 C CA . ASN A 56 ? 0.5664 0.5162 0.5149 0.0183 -0.0477 -0.1217 77 ASN A CA 399 C C . ASN A 56 ? 0.5707 0.5207 0.5176 0.0174 -0.0538 -0.1189 77 ASN A C 400 O O . ASN A 56 ? 0.5879 0.5365 0.5286 0.0183 -0.0577 -0.1214 77 ASN A O 401 C CB . ASN A 56 ? 0.5909 0.5394 0.5346 0.0193 -0.0483 -0.1299 77 ASN A CB 402 C CG . ASN A 56 ? 0.6546 0.6026 0.5991 0.0201 -0.0418 -0.1330 77 ASN A CG 403 O OD1 . ASN A 56 ? 0.6784 0.6263 0.6217 0.0211 -0.0374 -0.1293 77 ASN A OD1 404 N ND2 . ASN A 56 ? 0.6756 0.6230 0.6222 0.0196 -0.0408 -0.1401 77 ASN A ND2 405 N N . PHE A 57 ? 0.5510 0.5029 0.5036 0.0159 -0.0545 -0.1138 78 PHE A N 406 C CA . PHE A 57 ? 0.5400 0.4921 0.4924 0.0147 -0.0601 -0.1116 78 PHE A CA 407 C C . PHE A 57 ? 0.5876 0.5392 0.5369 0.0148 -0.0596 -0.1055 78 PHE A C 408 O O . PHE A 57 ? 0.5384 0.4921 0.4911 0.0143 -0.0558 -0.1004 78 PHE A O 409 C CB . PHE A 57 ? 0.5033 0.4581 0.4637 0.0128 -0.0618 -0.1102 78 PHE A CB 410 C CG . PHE A 57 ? 0.5224 0.4771 0.4827 0.0115 -0.0680 -0.1102 78 PHE A CG 411 C CD1 . PHE A 57 ? 0.5036 0.4578 0.4644 0.0110 -0.0723 -0.1156 78 PHE A CD1 412 C CD2 . PHE A 57 ? 0.5227 0.4775 0.4825 0.0106 -0.0695 -0.1050 78 PHE A CD2 413 C CE1 . PHE A 57 ? 0.4956 0.4495 0.4563 0.0099 -0.0780 -0.1156 78 PHE A CE1 414 C CE2 . PHE A 57 ? 0.5438 0.4980 0.5036 0.0093 -0.0749 -0.1051 78 PHE A CE2 415 C CZ . PHE A 57 ? 0.5281 0.4819 0.4883 0.0091 -0.0793 -0.1103 78 PHE A CZ 416 N N . ASN A 58 ? 0.6061 0.5550 0.5488 0.0154 -0.0634 -0.1061 79 ASN A N 417 C CA . ASN A 58 ? 0.5839 0.5313 0.5228 0.0155 -0.0629 -0.1006 79 ASN A CA 418 C C . ASN A 58 ? 0.5727 0.5205 0.5154 0.0133 -0.0664 -0.0971 79 ASN A C 419 O O . ASN A 58 ? 0.5290 0.4755 0.4706 0.0130 -0.0714 -0.0997 79 ASN A O 420 C CB . ASN A 58 ? 0.5708 0.5146 0.4997 0.0181 -0.0646 -0.1028 79 ASN A CB 421 C CG . ASN A 58 ? 0.5554 0.4969 0.4796 0.0185 -0.0632 -0.0970 79 ASN A CG 422 O OD1 . ASN A 58 ? 0.5619 0.5047 0.4904 0.0168 -0.0602 -0.0917 79 ASN A OD1 423 N ND2 . ASN A 58 ? 0.5121 0.4502 0.4272 0.0210 -0.0651 -0.0981 79 ASN A ND2 424 N N . TRP A 59 ? 0.5591 0.5092 0.5063 0.0117 -0.0635 -0.0917 80 TRP A N 425 C CA . TRP A 59 ? 0.5191 0.4700 0.4702 0.0093 -0.0659 -0.0882 80 TRP A CA 426 C C . TRP A 59 ? 0.5216 0.4677 0.4656 0.0097 -0.0672 -0.0859 80 TRP A C 427 O O . TRP A 59 ? 0.5018 0.4464 0.4466 0.0083 -0.0706 -0.0851 80 TRP A O 428 C CB . TRP A 59 ? 0.5032 0.4591 0.4618 0.0075 -0.0620 -0.0836 80 TRP A CB 429 C CG . TRP A 59 ? 0.5183 0.4793 0.4845 0.0072 -0.0612 -0.0851 80 TRP A CG 430 C CD1 . TRP A 59 ? 0.5457 0.5084 0.5163 0.0064 -0.0649 -0.0881 80 TRP A CD1 431 C CD2 . TRP A 59 ? 0.5535 0.5182 0.5235 0.0080 -0.0560 -0.0834 80 TRP A CD2 432 N NE1 . TRP A 59 ? 0.5407 0.5078 0.5174 0.0068 -0.0622 -0.0883 80 TRP A NE1 433 C CE2 . TRP A 59 ? 0.5566 0.5249 0.5330 0.0079 -0.0567 -0.0853 80 TRP A CE2 434 C CE3 . TRP A 59 ? 0.6097 0.5751 0.5782 0.0090 -0.0508 -0.0803 80 TRP A CE3 435 C CZ2 . TRP A 59 ? 0.6261 0.5984 0.6071 0.0090 -0.0522 -0.0840 80 TRP A CZ2 436 C CZ3 . TRP A 59 ? 0.6391 0.6086 0.6124 0.0100 -0.0465 -0.0793 80 TRP A CZ3 437 C CH2 . TRP A 59 ? 0.6379 0.6107 0.6172 0.0102 -0.0472 -0.0810 80 TRP A CH2 438 N N . ASP A 60 ? 0.5672 0.5106 0.5041 0.0119 -0.0642 -0.0849 81 ASP A N 439 C CA . ASP A 60 ? 0.5922 0.5304 0.5214 0.0129 -0.0647 -0.0822 81 ASP A CA 440 C C . ASP A 60 ? 0.6063 0.5406 0.5271 0.0158 -0.0688 -0.0865 81 ASP A C 441 O O . ASP A 60 ? 0.6171 0.5482 0.5292 0.0186 -0.0678 -0.0862 81 ASP A O 442 C CB . ASP A 60 ? 0.6342 0.5717 0.5596 0.0139 -0.0592 -0.0785 81 ASP A CB 443 C CG . ASP A 60 ? 0.6375 0.5794 0.5709 0.0113 -0.0550 -0.0744 81 ASP A CG 444 O OD1 . ASP A 60 ? 0.5803 0.5247 0.5207 0.0085 -0.0563 -0.0727 81 ASP A OD1 445 O OD2 . ASP A 60 ? 0.6992 0.6426 0.6318 0.0123 -0.0504 -0.0730 81 ASP A OD2 446 N N . HIS A 61 ? 0.5963 0.5315 0.5198 0.0153 -0.0735 -0.0908 82 HIS A N 447 C CA . HIS A 61 ? 0.6061 0.5388 0.5223 0.0181 -0.0778 -0.0956 82 HIS A CA 448 C C . HIS A 61 ? 0.6347 0.5624 0.5449 0.0191 -0.0807 -0.0933 82 HIS A C 449 O O . HIS A 61 ? 0.6576 0.5827 0.5597 0.0224 -0.0836 -0.0962 82 HIS A O 450 C CB . HIS A 61 ? 0.5517 0.4873 0.4728 0.0173 -0.0814 -0.1016 82 HIS A CB 451 C CG . HIS A 61 ? 0.5528 0.4903 0.4823 0.0140 -0.0838 -0.1002 82 HIS A CG 452 N ND1 . HIS A 61 ? 0.5617 0.5036 0.5004 0.0115 -0.0816 -0.0993 82 HIS A ND1 453 C CD2 . HIS A 61 ? 0.5279 0.4636 0.4581 0.0130 -0.0881 -0.0998 82 HIS A CD2 454 C CE1 . HIS A 61 ? 0.5354 0.4788 0.4801 0.0091 -0.0846 -0.0985 82 HIS A CE1 455 N NE2 . HIS A 61 ? 0.5332 0.4727 0.4730 0.0097 -0.0885 -0.0988 82 HIS A NE2 456 N N . CYS A 62 ? 0.6288 0.5552 0.5429 0.0164 -0.0799 -0.0882 83 CYS A N 457 C CA . CYS A 62 ? 0.6502 0.5707 0.5583 0.0173 -0.0812 -0.0849 83 CYS A CA 458 C C . CYS A 62 ? 0.6568 0.5752 0.5648 0.0159 -0.0760 -0.0784 83 CYS A C 459 O O . CYS A 62 ? 0.6394 0.5571 0.5525 0.0128 -0.0754 -0.0750 83 CYS A O 460 C CB . CYS A 62 ? 0.6553 0.5754 0.5684 0.0150 -0.0857 -0.0857 83 CYS A CB 461 S SG . CYS A 62 ? 0.6452 0.5663 0.5568 0.0169 -0.0924 -0.0931 83 CYS A SG 462 N N . GLY A 63 ? 0.6679 0.5857 0.5703 0.0182 -0.0721 -0.0771 84 GLY A N 463 C CA . GLY A 63 ? 0.6672 0.5840 0.5702 0.0167 -0.0666 -0.0714 84 GLY A CA 464 C C . GLY A 63 ? 0.6686 0.5919 0.5821 0.0133 -0.0637 -0.0707 84 GLY A C 465 O O . GLY A 63 ? 0.6688 0.5969 0.5885 0.0125 -0.0657 -0.0744 84 GLY A O 466 N N . LYS A 64 ? 0.6850 0.6087 0.6005 0.0116 -0.0587 -0.0659 85 LYS A N 467 C CA . LYS A 64 ? 0.6848 0.6152 0.6098 0.0089 -0.0556 -0.0650 85 LYS A CA 468 C C . LYS A 64 ? 0.6128 0.5470 0.5478 0.0051 -0.0576 -0.0647 85 LYS A C 469 O O . LYS A 64 ? 0.6408 0.5721 0.5765 0.0030 -0.0580 -0.0623 85 LYS A O 470 C CB . LYS A 64 ? 0.7479 0.6783 0.6717 0.0085 -0.0496 -0.0603 85 LYS A CB 471 C CG . LYS A 64 ? 0.8210 0.7587 0.7543 0.0061 -0.0462 -0.0591 85 LYS A CG 472 C CD . LYS A 64 ? 0.8954 0.8336 0.8254 0.0074 -0.0407 -0.0566 85 LYS A CD 473 C CE . LYS A 64 ? 0.9270 0.8645 0.8510 0.0112 -0.0408 -0.0600 85 LYS A CE 474 N NZ . LYS A 64 ? 0.9389 0.8826 0.8700 0.0110 -0.0400 -0.0625 85 LYS A NZ 475 N N . MET A 65 ? 0.5210 0.4614 0.4635 0.0042 -0.0586 -0.0674 86 MET A N 476 C CA . MET A 65 ? 0.5074 0.4529 0.4600 0.0007 -0.0602 -0.0673 86 MET A CA 477 C C . MET A 65 ? 0.5843 0.5344 0.5432 -0.0019 -0.0555 -0.0632 86 MET A C 478 O O . MET A 65 ? 0.6202 0.5731 0.5793 -0.0010 -0.0513 -0.0617 86 MET A O 479 C CB . MET A 65 ? 0.4492 0.3999 0.4072 0.0012 -0.0624 -0.0712 86 MET A CB 480 C CG . MET A 65 ? 0.4484 0.4059 0.4170 -0.0018 -0.0636 -0.0711 86 MET A CG 481 S SD . MET A 65 ? 0.5410 0.5036 0.5146 -0.0005 -0.0655 -0.0753 86 MET A SD 482 C CE . MET A 65 ? 0.4850 0.4420 0.4534 0.0004 -0.0718 -0.0801 86 MET A CE 483 N N . GLU A 66 ? 0.5882 0.5392 0.5522 -0.0052 -0.0561 -0.0616 87 GLU A N 484 C CA . GLU A 66 ? 0.6038 0.5601 0.5747 -0.0081 -0.0518 -0.0583 87 GLU A CA 485 C C . GLU A 66 ? 0.5938 0.5596 0.5726 -0.0081 -0.0502 -0.0589 87 GLU A C 486 O O . GLU A 66 ? 0.5665 0.5361 0.5495 -0.0076 -0.0534 -0.0618 87 GLU A O 487 C CB . GLU A 66 ? 0.6858 0.6426 0.6624 -0.0120 -0.0534 -0.0579 87 GLU A CB 488 C CG . GLU A 66 ? 0.7707 0.7176 0.7397 -0.0121 -0.0540 -0.0565 87 GLU A CG 489 C CD . GLU A 66 ? 0.8384 0.7805 0.8015 -0.0117 -0.0485 -0.0525 87 GLU A CD 490 O OE1 . GLU A 66 ? 0.8571 0.8046 0.8236 -0.0123 -0.0442 -0.0508 87 GLU A OE1 491 O OE2 . GLU A 66 ? 0.8621 0.7953 0.8170 -0.0106 -0.0483 -0.0509 87 GLU A OE2 492 N N . PRO A 67 ? 0.6143 0.5839 0.5952 -0.0085 -0.0451 -0.0561 88 PRO A N 493 C CA . PRO A 67 ? 0.5863 0.5650 0.5743 -0.0080 -0.0430 -0.0561 88 PRO A CA 494 C C . PRO A 67 ? 0.5506 0.5374 0.5487 -0.0101 -0.0457 -0.0576 88 PRO A C 495 O O . PRO A 67 ? 0.5065 0.4987 0.5086 -0.0085 -0.0465 -0.0592 88 PRO A O 496 C CB . PRO A 67 ? 0.5993 0.5806 0.5884 -0.0091 -0.0373 -0.0525 88 PRO A CB 497 C CG . PRO A 67 ? 0.6407 0.6124 0.6203 -0.0087 -0.0360 -0.0508 88 PRO A CG 498 C CD . PRO A 67 ? 0.6484 0.6139 0.6250 -0.0094 -0.0408 -0.0525 88 PRO A CD 499 N N . ALA A 68 ? 0.5290 0.5164 0.5309 -0.0136 -0.0467 -0.0571 89 ALA A N 500 C CA . ALA A 68 ? 0.5309 0.5267 0.5427 -0.0159 -0.0492 -0.0588 89 ALA A CA 501 C C . ALA A 68 ? 0.5419 0.5367 0.5536 -0.0145 -0.0546 -0.0621 89 ALA A C 502 O O . ALA A 68 ? 0.5388 0.5415 0.5581 -0.0150 -0.0566 -0.0637 89 ALA A O 503 C CB . ALA A 68 ? 0.5185 0.5138 0.5338 -0.0202 -0.0492 -0.0581 89 ALA A CB 504 N N . CYS A 69 ? 0.5254 0.5109 0.5283 -0.0126 -0.0568 -0.0634 90 CYS A N 505 C CA . CYS A 69 ? 0.5065 0.4902 0.5084 -0.0113 -0.0618 -0.0670 90 CYS A CA 506 C C . CYS A 69 ? 0.4929 0.4774 0.4927 -0.0078 -0.0609 -0.0683 90 CYS A C 507 O O . CYS A 69 ? 0.4726 0.4612 0.4765 -0.0070 -0.0631 -0.0707 90 CYS A O 508 C CB . CYS A 69 ? 0.5023 0.4760 0.4962 -0.0111 -0.0650 -0.0680 90 CYS A CB 509 S SG . CYS A 69 ? 0.4444 0.4150 0.4353 -0.0091 -0.0710 -0.0729 90 CYS A SG 510 N N . LYS A 70 ? 0.4813 0.4619 0.4747 -0.0058 -0.0573 -0.0669 91 LYS A N 511 C CA . LYS A 70 ? 0.4681 0.4483 0.4588 -0.0026 -0.0558 -0.0684 91 LYS A CA 512 C C . LYS A 70 ? 0.4791 0.4682 0.4777 -0.0019 -0.0535 -0.0679 91 LYS A C 513 O O . LYS A 70 ? 0.5094 0.4990 0.5083 0.0002 -0.0539 -0.0702 91 LYS A O 514 C CB . LYS A 70 ? 0.4904 0.4655 0.4732 -0.0008 -0.0519 -0.0668 91 LYS A CB 515 C CG . LYS A 70 ? 0.5266 0.4996 0.5052 0.0025 -0.0506 -0.0693 91 LYS A CG 516 C CD . LYS A 70 ? 0.5339 0.5022 0.5046 0.0042 -0.0470 -0.0678 91 LYS A CD 517 C CE . LYS A 70 ? 0.5262 0.4868 0.4881 0.0047 -0.0498 -0.0690 91 LYS A CE 518 N NZ . LYS A 70 ? 0.5583 0.5149 0.5123 0.0068 -0.0463 -0.0677 91 LYS A NZ 519 N N . ARG A 71 ? 0.4670 0.4630 0.4718 -0.0035 -0.0510 -0.0650 92 ARG A N 520 C CA . ARG A 71 ? 0.4580 0.4633 0.4702 -0.0023 -0.0489 -0.0642 92 ARG A CA 521 C C . ARG A 71 ? 0.4311 0.4400 0.4482 -0.0020 -0.0528 -0.0669 92 ARG A C 522 O O . ARG A 71 ? 0.4176 0.4304 0.4374 0.0005 -0.0513 -0.0672 92 ARG A O 523 C CB . ARG A 71 ? 0.4996 0.5130 0.5183 -0.0044 -0.0462 -0.0613 92 ARG A CB 524 C CG . ARG A 71 ? 0.5700 0.5863 0.5940 -0.0081 -0.0496 -0.0619 92 ARG A CG 525 C CD . ARG A 71 ? 0.6196 0.6435 0.6496 -0.0106 -0.0464 -0.0596 92 ARG A CD 526 N NE . ARG A 71 ? 0.6443 0.6709 0.6798 -0.0145 -0.0493 -0.0607 92 ARG A NE 527 C CZ . ARG A 71 ? 0.6741 0.7071 0.7157 -0.0176 -0.0472 -0.0597 92 ARG A CZ 528 N NH1 . ARG A 71 ? 0.6648 0.7025 0.7078 -0.0172 -0.0423 -0.0574 92 ARG A NH1 529 N NH2 . ARG A 71 ? 0.6722 0.7071 0.7187 -0.0212 -0.0498 -0.0613 92 ARG A NH2 530 N N . HIS A 72 ? 0.4172 0.4244 0.4352 -0.0045 -0.0575 -0.0687 93 HIS A N 531 C CA . HIS A 72 ? 0.4020 0.4123 0.4244 -0.0044 -0.0615 -0.0714 93 HIS A CA 532 C C . HIS A 72 ? 0.4335 0.4381 0.4510 -0.0019 -0.0625 -0.0743 93 HIS A C 533 O O . HIS A 72 ? 0.4539 0.4621 0.4750 -0.0004 -0.0631 -0.0757 93 HIS A O 534 C CB . HIS A 72 ? 0.4181 0.4273 0.4422 -0.0077 -0.0662 -0.0728 93 HIS A CB 535 C CG . HIS A 72 ? 0.4551 0.4718 0.4864 -0.0107 -0.0654 -0.0709 93 HIS A CG 536 N ND1 . HIS A 72 ? 0.4720 0.4996 0.5123 -0.0110 -0.0658 -0.0711 93 HIS A ND1 537 C CD2 . HIS A 72 ? 0.4969 0.5120 0.5279 -0.0134 -0.0640 -0.0692 93 HIS A CD2 538 C CE1 . HIS A 72 ? 0.4907 0.5236 0.5362 -0.0140 -0.0648 -0.0699 93 HIS A CE1 539 N NE2 . HIS A 72 ? 0.4972 0.5223 0.5372 -0.0157 -0.0635 -0.0687 93 HIS A NE2 540 N N . PHE A 73 ? 0.4432 0.4390 0.4524 -0.0013 -0.0626 -0.0754 94 PHE A N 541 C CA . PHE A 73 ? 0.4801 0.4710 0.4848 0.0011 -0.0630 -0.0787 94 PHE A CA 542 C C . PHE A 73 ? 0.5122 0.5054 0.5178 0.0038 -0.0578 -0.0777 94 PHE A C 543 O O . PHE A 73 ? 0.5338 0.5266 0.5401 0.0055 -0.0575 -0.0801 94 PHE A O 544 C CB . PHE A 73 ? 0.4428 0.4248 0.4384 0.0014 -0.0644 -0.0806 94 PHE A CB 545 C CG . PHE A 73 ? 0.4792 0.4579 0.4732 -0.0004 -0.0699 -0.0826 94 PHE A CG 546 C CD1 . PHE A 73 ? 0.4799 0.4563 0.4728 0.0001 -0.0739 -0.0871 94 PHE A CD1 547 C CD2 . PHE A 73 ? 0.4622 0.4400 0.4560 -0.0026 -0.0710 -0.0802 94 PHE A CD2 548 C CE1 . PHE A 73 ? 0.4979 0.4715 0.4894 -0.0013 -0.0791 -0.0890 94 PHE A CE1 549 C CE2 . PHE A 73 ? 0.4760 0.4502 0.4682 -0.0040 -0.0759 -0.0820 94 PHE A CE2 550 C CZ . PHE A 73 ? 0.4625 0.4348 0.4535 -0.0033 -0.0801 -0.0864 94 PHE A CZ 551 N N . ILE A 74 ? 0.4685 0.4639 0.4741 0.0043 -0.0534 -0.0741 95 ILE A N 552 C CA . ILE A 74 ? 0.4448 0.4426 0.4514 0.0071 -0.0482 -0.0728 95 ILE A CA 553 C C . ILE A 74 ? 0.4278 0.4336 0.4422 0.0080 -0.0480 -0.0720 95 ILE A C 554 O O . ILE A 74 ? 0.4033 0.4089 0.4184 0.0105 -0.0460 -0.0732 95 ILE A O 555 C CB . ILE A 74 ? 0.4656 0.4647 0.4708 0.0073 -0.0437 -0.0690 95 ILE A CB 556 C CG1 . ILE A 74 ? 0.4452 0.4361 0.4417 0.0079 -0.0425 -0.0701 95 ILE A CG1 557 C CG2 . ILE A 74 ? 0.4406 0.4453 0.4496 0.0100 -0.0386 -0.0668 95 ILE A CG2 558 C CD1 . ILE A 74 ? 0.4157 0.4065 0.4098 0.0071 -0.0396 -0.0666 95 ILE A CD1 559 N N . GLN A 75 ? 0.4182 0.4309 0.4385 0.0060 -0.0500 -0.0704 96 GLN A N 560 C CA . GLN A 75 ? 0.4099 0.4315 0.4379 0.0069 -0.0505 -0.0698 96 GLN A CA 561 C C . GLN A 75 ? 0.4643 0.4837 0.4926 0.0078 -0.0534 -0.0731 96 GLN A C 562 O O . GLN A 75 ? 0.4613 0.4839 0.4924 0.0106 -0.0513 -0.0729 96 GLN A O 563 C CB . GLN A 75 ? 0.3790 0.4077 0.4129 0.0039 -0.0532 -0.0688 96 GLN A CB 564 C CG . GLN A 75 ? 0.3917 0.4320 0.4339 0.0051 -0.0528 -0.0675 96 GLN A CG 565 C CD . GLN A 75 ? 0.4190 0.4652 0.4629 0.0081 -0.0472 -0.0642 96 GLN A CD 566 O OE1 . GLN A 75 ? 0.3957 0.4380 0.4354 0.0084 -0.0437 -0.0626 96 GLN A OE1 567 N NE2 . GLN A 75 ? 0.3953 0.4512 0.4453 0.0106 -0.0463 -0.0632 96 GLN A NE2 568 N N . ASP A 76 ? 0.4411 0.4548 0.4665 0.0055 -0.0581 -0.0762 97 ASP A N 569 C CA . ASP A 76 ? 0.4403 0.4510 0.4653 0.0060 -0.0611 -0.0800 97 ASP A CA 570 C C . ASP A 76 ? 0.4438 0.4494 0.4651 0.0089 -0.0573 -0.0815 97 ASP A C 571 O O . ASP A 76 ? 0.4369 0.4438 0.4607 0.0106 -0.0566 -0.0827 97 ASP A O 572 C CB . ASP A 76 ? 0.4408 0.4455 0.4620 0.0034 -0.0664 -0.0831 97 ASP A CB 573 C CG . ASP A 76 ? 0.4302 0.4302 0.4493 0.0040 -0.0689 -0.0876 97 ASP A CG 574 O OD1 . ASP A 76 ? 0.3847 0.3887 0.4087 0.0037 -0.0715 -0.0888 97 ASP A OD1 575 O OD2 . ASP A 76 ? 0.4502 0.4431 0.4629 0.0047 -0.0682 -0.0902 97 ASP A OD2 576 N N . THR A 77 ? 0.4587 0.4585 0.4739 0.0094 -0.0546 -0.0816 98 THR A N 577 C CA . THR A 77 ? 0.5107 0.5057 0.5226 0.0119 -0.0503 -0.0833 98 THR A CA 578 C C . THR A 77 ? 0.4941 0.4941 0.5102 0.0149 -0.0450 -0.0802 98 THR A C 579 O O . THR A 77 ? 0.4891 0.4867 0.5052 0.0170 -0.0422 -0.0819 98 THR A O 580 C CB . THR A 77 ? 0.5777 0.5665 0.5825 0.0120 -0.0482 -0.0839 98 THR A CB 581 O OG1 . THR A 77 ? 0.6034 0.5877 0.6037 0.0099 -0.0532 -0.0866 98 THR A OG1 582 C CG2 . THR A 77 ? 0.6067 0.5907 0.6084 0.0143 -0.0440 -0.0866 98 THR A CG2 583 N N . CYS A 78 ? 0.4720 0.4789 0.4916 0.0153 -0.0433 -0.0759 99 CYS A N 584 C CA . CYS A 78 ? 0.4867 0.4996 0.5106 0.0186 -0.0386 -0.0727 99 CYS A CA 585 C C . CYS A 78 ? 0.5024 0.5184 0.5307 0.0199 -0.0401 -0.0738 99 CYS A C 586 O O . CYS A 78 ? 0.5152 0.5296 0.5435 0.0229 -0.0361 -0.0739 99 CYS A O 587 C CB . CYS A 78 ? 0.4561 0.4776 0.4840 0.0186 -0.0375 -0.0685 99 CYS A CB 588 S SG . CYS A 78 ? 0.4269 0.4458 0.4503 0.0186 -0.0332 -0.0661 99 CYS A SG 589 N N . LEU A 79 ? 0.4767 0.4971 0.5086 0.0175 -0.0455 -0.0745 100 LEU A N 590 C CA . LEU A 79 ? 0.4749 0.4990 0.5111 0.0184 -0.0476 -0.0756 100 LEU A CA 591 C C . LEU A 79 ? 0.4575 0.4733 0.4903 0.0189 -0.0475 -0.0796 100 LEU A C 592 O O . LEU A 79 ? 0.4219 0.4382 0.4564 0.0217 -0.0446 -0.0795 100 LEU A O 593 C CB . LEU A 79 ? 0.4490 0.4784 0.4892 0.0152 -0.0539 -0.0765 100 LEU A CB 594 C CG . LEU A 79 ? 0.4807 0.5149 0.5256 0.0160 -0.0566 -0.0776 100 LEU A CG 595 C CD1 . LEU A 79 ? 0.5226 0.5678 0.5742 0.0149 -0.0594 -0.0759 100 LEU A CD1 596 C CD2 . LEU A 79 ? 0.5004 0.5276 0.5428 0.0136 -0.0611 -0.0823 100 LEU A CD2 597 N N . TYR A 80 ? 0.4797 0.4880 0.5076 0.0163 -0.0502 -0.0833 101 TYR A N 598 C CA . TYR A 80 ? 0.5022 0.5031 0.5271 0.0164 -0.0502 -0.0879 101 TYR A CA 599 C C . TYR A 80 ? 0.4959 0.4932 0.5192 0.0196 -0.0431 -0.0875 101 TYR A C 600 O O . TYR A 80 ? 0.4934 0.4889 0.5179 0.0212 -0.0410 -0.0891 101 TYR A O 601 C CB . TYR A 80 ? 0.4786 0.4728 0.4979 0.0136 -0.0539 -0.0919 101 TYR A CB 602 C CG . TYR A 80 ? 0.4760 0.4631 0.4920 0.0137 -0.0535 -0.0974 101 TYR A CG 603 C CD1 . TYR A 80 ? 0.4562 0.4429 0.4740 0.0125 -0.0575 -0.1010 101 TYR A CD1 604 C CD2 . TYR A 80 ? 0.5059 0.4872 0.5174 0.0148 -0.0489 -0.0992 101 TYR A CD2 605 C CE1 . TYR A 80 ? 0.4286 0.4093 0.4438 0.0123 -0.0569 -0.1065 101 TYR A CE1 606 C CE2 . TYR A 80 ? 0.4820 0.4575 0.4911 0.0146 -0.0482 -0.1049 101 TYR A CE2 607 C CZ . TYR A 80 ? 0.4346 0.4098 0.4455 0.0133 -0.0522 -0.1086 101 TYR A CZ 608 O OH . TYR A 80 ? 0.4195 0.3893 0.4283 0.0129 -0.0513 -0.1146 101 TYR A OH 609 N N . GLU A 81 ? 0.4922 0.4881 0.5127 0.0207 -0.0390 -0.0853 102 GLU A N 610 C CA . GLU A 81 ? 0.4915 0.4831 0.5101 0.0236 -0.0320 -0.0853 102 GLU A CA 611 C C . GLU A 81 ? 0.5072 0.5040 0.5300 0.0275 -0.0271 -0.0808 102 GLU A C 612 O O . GLU A 81 ? 0.5164 0.5092 0.5386 0.0301 -0.0216 -0.0813 102 GLU A O 613 C CB . GLU A 81 ? 0.4616 0.4497 0.4755 0.0233 -0.0294 -0.0849 102 GLU A CB 614 C CG . GLU A 81 ? 0.4867 0.4694 0.4955 0.0203 -0.0336 -0.0893 102 GLU A CG 615 C CD . GLU A 81 ? 0.4937 0.4693 0.4996 0.0201 -0.0327 -0.0953 102 GLU A CD 616 O OE1 . GLU A 81 ? 0.4372 0.4110 0.4448 0.0221 -0.0279 -0.0960 102 GLU A OE1 617 O OE2 . GLU A 81 ? 0.5043 0.4763 0.5063 0.0180 -0.0366 -0.0996 102 GLU A OE2 618 N N . CYS A 82 ? 0.4907 0.4966 0.5177 0.0280 -0.0288 -0.0767 103 CYS A N 619 C CA . CYS A 82 ? 0.4689 0.4808 0.4992 0.0323 -0.0238 -0.0719 103 CYS A CA 620 C C . CYS A 82 ? 0.4797 0.4982 0.5150 0.0343 -0.0252 -0.0706 103 CYS A C 621 O O . CYS A 82 ? 0.5098 0.5306 0.5467 0.0387 -0.0204 -0.0678 103 CYS A O 622 C CB . CYS A 82 ? 0.4055 0.4242 0.4370 0.0324 -0.0234 -0.0680 103 CYS A CB 623 S SG . CYS A 82 ? 0.4145 0.4262 0.4399 0.0306 -0.0213 -0.0688 103 CYS A SG 624 N N . SER A 83 ? 0.5051 0.4154 0.4882 -0.0430 -0.0722 -0.0051 104 SER A N 625 C CA . SER A 83 ? 0.4923 0.3915 0.4676 -0.0382 -0.0701 -0.0007 104 SER A CA 626 C C . SER A 83 ? 0.4833 0.3758 0.4588 -0.0412 -0.0604 -0.0018 104 SER A C 627 O O . SER A 83 ? 0.4446 0.3456 0.4270 -0.0448 -0.0565 -0.0058 104 SER A O 628 C CB . SER A 83 ? 0.4427 0.3495 0.4180 -0.0337 -0.0750 0.0006 104 SER A CB 629 O OG . SER A 83 ? 0.4169 0.3134 0.3851 -0.0295 -0.0724 0.0046 104 SER A OG 630 N N . PRO A 84 ? 0.5044 0.3816 0.4722 -0.0396 -0.0567 0.0017 105 PRO A N 631 C CA . PRO A 84 ? 0.5245 0.3935 0.4912 -0.0419 -0.0475 0.0013 105 PRO A CA 632 C C . PRO A 84 ? 0.5470 0.4107 0.5080 -0.0366 -0.0470 0.0050 105 PRO A C 633 O O . PRO A 84 ? 0.5582 0.4123 0.5158 -0.0369 -0.0401 0.0061 105 PRO A O 634 C CB . PRO A 84 ? 0.5206 0.3753 0.4811 -0.0421 -0.0448 0.0037 105 PRO A CB 635 C CG . PRO A 84 ? 0.5126 0.3637 0.4664 -0.0362 -0.0532 0.0082 105 PRO A CG 636 C CD . PRO A 84 ? 0.4791 0.3454 0.4385 -0.0355 -0.0608 0.0063 105 PRO A CD 637 N N . ASN A 85 ? 0.5224 0.3918 0.4819 -0.0318 -0.0542 0.0070 106 ASN A N 638 C CA . ASN A 85 ? 0.5229 0.3863 0.4760 -0.0261 -0.0546 0.0112 106 ASN A CA 639 C C . ASN A 85 ? 0.5155 0.3910 0.4734 -0.0251 -0.0565 0.0094 106 ASN A C 640 O O . ASN A 85 ? 0.5187 0.3921 0.4717 -0.0196 -0.0598 0.0130 106 ASN A O 641 C CB . ASN A 85 ? 0.5505 0.4057 0.4946 -0.0197 -0.0613 0.0166 106 ASN A CB 642 C CG . ASN A 85 ? 0.5997 0.4416 0.5379 -0.0200 -0.0592 0.0189 106 ASN A CG 643 O OD1 . ASN A 85 ? 0.6312 0.4727 0.5680 -0.0192 -0.0644 0.0199 106 ASN A OD1 644 N ND2 . ASN A 85 ? 0.5749 0.4055 0.5095 -0.0210 -0.0515 0.0199 106 ASN A ND2 645 N N . LEU A 86 ? 0.5209 0.4090 0.4884 -0.0304 -0.0545 0.0040 107 LEU A N 646 C CA . LEU A 86 ? 0.5342 0.4346 0.5069 -0.0299 -0.0561 0.0019 107 LEU A CA 647 C C . LEU A 86 ? 0.6127 0.5130 0.5886 -0.0330 -0.0477 -0.0005 107 LEU A C 648 O O . LEU A 86 ? 0.5943 0.5055 0.5758 -0.0338 -0.0476 -0.0032 107 LEU A O 649 C CB . LEU A 86 ? 0.5023 0.4187 0.4837 -0.0328 -0.0612 -0.0023 107 LEU A CB 650 C CG . LEU A 86 ? 0.5008 0.4178 0.4790 -0.0293 -0.0700 0.0002 107 LEU A CG 651 C CD1 . LEU A 86 ? 0.4683 0.4010 0.4549 -0.0321 -0.0751 -0.0039 107 LEU A CD1 652 C CD2 . LEU A 86 ? 0.4742 0.3867 0.4449 -0.0219 -0.0754 0.0054 107 LEU A CD2 653 N N . GLY A 87 ? 0.6181 0.5059 0.5901 -0.0347 -0.0406 0.0005 108 GLY A N 654 C CA . GLY A 87 ? 0.6080 0.4937 0.5822 -0.0379 -0.0319 -0.0015 108 GLY A CA 655 C C . GLY A 87 ? 0.6304 0.5213 0.6054 -0.0353 -0.0317 -0.0013 108 GLY A C 656 O O . GLY A 87 ? 0.6656 0.5662 0.6482 -0.0393 -0.0281 -0.0057 108 GLY A O 657 N N . PRO A 88 ? 0.6069 0.4915 0.5743 -0.0286 -0.0356 0.0038 109 PRO A N 658 C CA . PRO A 88 ? 0.5975 0.4852 0.5645 -0.0257 -0.0351 0.0045 109 PRO A CA 659 C C . PRO A 88 ? 0.5895 0.4945 0.5647 -0.0266 -0.0394 0.0009 109 PRO A C 660 O O . PRO A 88 ? 0.5705 0.4799 0.5471 -0.0253 -0.0381 0.0005 109 PRO A O 661 C CB . PRO A 88 ? 0.6111 0.4893 0.5682 -0.0182 -0.0401 0.0108 109 PRO A CB 662 C CG . PRO A 88 ? 0.5544 0.4196 0.5053 -0.0179 -0.0394 0.0135 109 PRO A CG 663 C CD . PRO A 88 ? 0.5804 0.4531 0.5385 -0.0236 -0.0397 0.0092 109 PRO A CD 664 N N . TRP A 89 ? 0.5773 0.4921 0.5577 -0.0286 -0.0445 -0.0016 110 TRP A N 665 C CA . TRP A 89 ? 0.5289 0.4603 0.5169 -0.0292 -0.0490 -0.0050 110 TRP A CA 666 C C . TRP A 89 ? 0.5319 0.4746 0.5301 -0.0364 -0.0458 -0.0113 110 TRP A C 667 O O . TRP A 89 ? 0.5487 0.5059 0.5540 -0.0376 -0.0491 -0.0147 110 TRP A O 668 C CB . TRP A 89 ? 0.5007 0.4361 0.4862 -0.0244 -0.0589 -0.0024 110 TRP A CB 669 C CG . TRP A 89 ? 0.5082 0.4324 0.4836 -0.0173 -0.0619 0.0038 110 TRP A CG 670 C CD1 . TRP A 89 ? 0.4830 0.4084 0.4560 -0.0128 -0.0634 0.0059 110 TRP A CD1 671 C CD2 . TRP A 89 ? 0.5034 0.4136 0.4700 -0.0141 -0.0633 0.0085 110 TRP A CD2 672 N NE1 . TRP A 89 ? 0.4714 0.3844 0.4345 -0.0070 -0.0658 0.0116 110 TRP A NE1 673 C CE2 . TRP A 89 ? 0.4931 0.3967 0.4521 -0.0076 -0.0658 0.0133 110 TRP A CE2 674 C CE3 . TRP A 89 ? 0.4878 0.3905 0.4520 -0.0159 -0.0627 0.0091 110 TRP A CE3 675 C CZ2 . TRP A 89 ? 0.5003 0.3903 0.4497 -0.0030 -0.0677 0.0186 110 TRP A CZ2 676 C CZ3 . TRP A 89 ? 0.5164 0.4055 0.4710 -0.0114 -0.0647 0.0144 110 TRP A CZ3 677 C CH2 . TRP A 89 ? 0.5277 0.4106 0.4750 -0.0050 -0.0671 0.0191 110 TRP A CH2 678 N N . ILE A 90 ? 0.5353 0.4714 0.5342 -0.0410 -0.0392 -0.0130 111 ILE A N 679 C CA . ILE A 90 ? 0.5189 0.4645 0.5272 -0.0482 -0.0352 -0.0190 111 ILE A CA 680 C C . ILE A 90 ? 0.5268 0.4805 0.5411 -0.0507 -0.0302 -0.0226 111 ILE A C 681 O O . ILE A 90 ? 0.5289 0.4750 0.5394 -0.0492 -0.0253 -0.0208 111 ILE A O 682 C CB . ILE A 90 ? 0.4896 0.4249 0.4967 -0.0525 -0.0288 -0.0197 111 ILE A CB 683 C CG1 . ILE A 90 ? 0.4581 0.3901 0.4625 -0.0517 -0.0341 -0.0180 111 ILE A CG1 684 C CG2 . ILE A 90 ? 0.4691 0.4128 0.4856 -0.0599 -0.0225 -0.0259 111 ILE A CG2 685 C CD1 . ILE A 90 ? 0.4265 0.3467 0.4282 -0.0550 -0.0285 -0.0178 111 ILE A CD1 686 N N . GLN A 91 ? 0.5208 0.4901 0.5445 -0.0544 -0.0316 -0.0277 112 GLN A N 687 C CA . GLN A 91 ? 0.5485 0.5270 0.5790 -0.0574 -0.0269 -0.0318 112 GLN A CA 688 C C . GLN A 91 ? 0.5613 0.5498 0.6014 -0.0648 -0.0235 -0.0381 112 GLN A C 689 O O . GLN A 91 ? 0.5663 0.5592 0.6092 -0.0666 -0.0273 -0.0396 112 GLN A O 690 C CB . GLN A 91 ? 0.5863 0.5760 0.6187 -0.0535 -0.0329 -0.0317 112 GLN A CB 691 C CG . GLN A 91 ? 0.6587 0.6399 0.6827 -0.0468 -0.0346 -0.0262 112 GLN A CG 692 C CD . GLN A 91 ? 0.7540 0.7472 0.7812 -0.0439 -0.0388 -0.0270 112 GLN A CD 693 O OE1 . GLN A 91 ? 0.7856 0.7921 0.8214 -0.0476 -0.0376 -0.0320 112 GLN A OE1 694 N NE2 . GLN A 91 ? 0.7480 0.7365 0.7682 -0.0372 -0.0438 -0.0221 112 GLN A NE2 695 N N . GLN A 92 ? 0.5602 0.5523 0.6056 -0.0690 -0.0163 -0.0419 113 GLN A N 696 C CA . GLN A 92 ? 0.6028 0.6053 0.6579 -0.0762 -0.0127 -0.0483 113 GLN A CA 697 C C . GLN A 92 ? 0.6078 0.6284 0.6708 -0.0766 -0.0176 -0.0520 113 GLN A C 698 O O . GLN A 92 ? 0.6487 0.6742 0.7121 -0.0738 -0.0185 -0.0516 113 GLN A O 699 C CB . GLN A 92 ? 0.6366 0.6347 0.6938 -0.0809 -0.0025 -0.0509 113 GLN A CB 700 C CG . GLN A 92 ? 0.6587 0.6620 0.7237 -0.0885 0.0024 -0.0565 113 GLN A CG 701 C CD . GLN A 92 ? 0.7228 0.7197 0.7889 -0.0928 0.0127 -0.0585 113 GLN A CD 702 O OE1 . GLN A 92 ? 0.7055 0.7075 0.7748 -0.0937 0.0163 -0.0605 113 GLN A OE1 703 N NE2 . GLN A 92 ? 0.7345 0.7200 0.7977 -0.0956 0.0176 -0.0579 113 GLN A NE2 704 N N . VAL A 93 ? 0.5836 0.6144 0.6530 -0.0799 -0.0209 -0.0556 114 VAL A N 705 C CA . VAL A 93 ? 0.5602 0.6083 0.6367 -0.0798 -0.0264 -0.0589 114 VAL A CA 706 C C . VAL A 93 ? 0.5695 0.6303 0.6568 -0.0870 -0.0230 -0.0659 114 VAL A C 707 O O . VAL A 93 ? 0.5833 0.6591 0.6776 -0.0879 -0.0257 -0.0695 114 VAL A O 708 C CB . VAL A 93 ? 0.4984 0.5494 0.5723 -0.0755 -0.0363 -0.0562 114 VAL A CB 709 C CG1 . VAL A 93 ? 0.4778 0.5174 0.5414 -0.0682 -0.0402 -0.0494 114 VAL A CG1 710 C CG2 . VAL A 93 ? 0.5140 0.5624 0.5887 -0.0787 -0.0371 -0.0571 114 VAL A CG2 711 N N . ASN A 94 ? 0.5849 0.6397 0.6735 -0.0922 -0.0170 -0.0678 115 ASN A N 712 C CA . ASN A 94 ? 0.6407 0.7064 0.7392 -0.0994 -0.0130 -0.0745 115 ASN A CA 713 C C . ASN A 94 ? 0.6492 0.7314 0.7548 -0.1001 -0.0201 -0.0778 115 ASN A C 714 O O . ASN A 94 ? 0.6410 0.7370 0.7537 -0.1016 -0.0204 -0.0818 115 ASN A O 715 C CB . ASN A 94 ? 0.6898 0.7595 0.7931 -0.1027 -0.0055 -0.0781 115 ASN A CB 716 C CG . ASN A 94 ? 0.7443 0.7980 0.8416 -0.1031 0.0024 -0.0756 115 ASN A CG 717 O OD1 . ASN A 94 ? 0.7520 0.7932 0.8441 -0.1035 0.0044 -0.0731 115 ASN A OD1 718 N ND2 . ASN A 94 ? 0.7754 0.8297 0.8734 -0.1030 0.0072 -0.0763 115 ASN A ND2 719 N N . GLN A 95 ? 0.6429 0.7233 0.7462 -0.0989 -0.0256 -0.0761 116 GLN A N 720 C CA . GLN A 95 ? 0.5849 0.6797 0.6942 -0.0995 -0.0325 -0.0789 116 GLN A CA 721 C C . GLN A 95 ? 0.5169 0.6136 0.6312 -0.1055 -0.0304 -0.0826 116 GLN A C 722 O O . GLN A 95 ? 0.5264 0.6113 0.6376 -0.1080 -0.0249 -0.0819 116 GLN A O 723 C CB . GLN A 95 ? 0.5837 0.6761 0.6865 -0.0928 -0.0418 -0.0737 116 GLN A CB 724 C CG . GLN A 95 ? 0.6177 0.7081 0.7153 -0.0865 -0.0446 -0.0697 116 GLN A CG 725 C CD . GLN A 95 ? 0.6479 0.7373 0.7398 -0.0801 -0.0541 -0.0651 116 GLN A CD 726 O OE1 . GLN A 95 ? 0.6689 0.7493 0.7529 -0.0744 -0.0560 -0.0599 116 GLN A OE1 727 N NE2 . GLN A 95 ? 0.6423 0.7411 0.7382 -0.0810 -0.0599 -0.0669 116 GLN A NE2 728 N N . SER A 96 ? 0.5030 0.6144 0.6248 -0.1078 -0.0347 -0.0867 117 SER A N 729 C CA . SER A 96 ? 0.5263 0.6414 0.6538 -0.1138 -0.0326 -0.0909 117 SER A CA 730 C C . SER A 96 ? 0.5278 0.6304 0.6488 -0.1127 -0.0344 -0.0872 117 SER A C 731 O O . SER A 96 ? 0.4916 0.5900 0.6144 -0.1176 -0.0297 -0.0893 117 SER A O 732 C CB . SER A 96 ? 0.5502 0.6837 0.6863 -0.1156 -0.0380 -0.0953 117 SER A CB 733 O OG . SER A 96 ? 0.5958 0.7311 0.7281 -0.1102 -0.0473 -0.0918 117 SER A OG 734 N N . TRP A 97 ? 0.5103 0.6070 0.6237 -0.1064 -0.0412 -0.0816 118 TRP A N 735 C CA . TRP A 97 ? 0.4799 0.5661 0.5874 -0.1051 -0.0439 -0.0782 118 TRP A CA 736 C C . TRP A 97 ? 0.4883 0.5562 0.5850 -0.1008 -0.0421 -0.0721 118 TRP A C 737 O O . TRP A 97 ? 0.5394 0.5977 0.6298 -0.0984 -0.0452 -0.0683 118 TRP A O 738 C CB . TRP A 97 ? 0.4626 0.5566 0.5700 -0.1017 -0.0537 -0.0770 118 TRP A CB 739 C CG . TRP A 97 ? 0.4974 0.5939 0.6010 -0.0951 -0.0599 -0.0734 118 TRP A CG 740 C CD1 . TRP A 97 ? 0.4938 0.6033 0.6025 -0.0943 -0.0617 -0.0758 118 TRP A CD1 741 C CD2 . TRP A 97 ? 0.5016 0.5876 0.5955 -0.0884 -0.0650 -0.0669 118 TRP A CD2 742 N NE1 . TRP A 97 ? 0.5035 0.6110 0.6062 -0.0875 -0.0676 -0.0711 118 TRP A NE1 743 C CE2 . TRP A 97 ? 0.4987 0.5919 0.5923 -0.0838 -0.0698 -0.0657 118 TRP A CE2 744 C CE3 . TRP A 97 ? 0.4872 0.5584 0.5726 -0.0858 -0.0660 -0.0621 118 TRP A CE3 745 C CZ2 . TRP A 97 ? 0.4811 0.5674 0.5664 -0.0768 -0.0754 -0.0599 118 TRP A CZ2 746 C CZ3 . TRP A 97 ? 0.4590 0.5234 0.5361 -0.0788 -0.0717 -0.0563 118 TRP A CZ3 747 C CH2 . TRP A 97 ? 0.4628 0.5347 0.5400 -0.0745 -0.0763 -0.0553 118 TRP A CH2 748 N N . ARG A 98 ? 0.4384 0.5016 0.5330 -0.0998 -0.0370 -0.0711 119 ARG A N 749 C CA . ARG A 98 ? 0.4639 0.5100 0.5486 -0.0958 -0.0347 -0.0655 119 ARG A CA 750 C C . ARG A 98 ? 0.4788 0.5229 0.5634 -0.0958 -0.0284 -0.0658 119 ARG A C 751 O O . ARG A 98 ? 0.4937 0.5484 0.5822 -0.0947 -0.0301 -0.0674 119 ARG A O 752 C CB . ARG A 98 ? 0.4912 0.5330 0.5681 -0.0884 -0.0430 -0.0597 119 ARG A CB 753 C CG . ARG A 98 ? 0.4810 0.5318 0.5585 -0.0838 -0.0481 -0.0588 119 ARG A CG 754 C CD . ARG A 98 ? 0.4906 0.5348 0.5595 -0.0766 -0.0557 -0.0527 119 ARG A CD 755 N NE . ARG A 98 ? 0.4974 0.5510 0.5669 -0.0721 -0.0617 -0.0518 119 ARG A NE 756 C CZ . ARG A 98 ? 0.5370 0.5885 0.6007 -0.0661 -0.0694 -0.0474 119 ARG A CZ 757 N NH1 . ARG A 98 ? 0.5293 0.5700 0.5863 -0.0639 -0.0721 -0.0435 119 ARG A NH1 758 N NH2 . ARG A 98 ? 0.5449 0.6052 0.6095 -0.0622 -0.0744 -0.0469 119 ARG A NH2 759 N N . LYS A 99 ? 0.4512 0.4817 0.5314 -0.0971 -0.0211 -0.0643 120 LYS A N 760 C CA . LYS A 99 ? 0.4260 0.4532 0.5057 -0.0973 -0.0146 -0.0644 120 LYS A CA 761 C C . LYS A 99 ? 0.4392 0.4565 0.5095 -0.0902 -0.0170 -0.0582 120 LYS A C 762 O O . LYS A 99 ? 0.4952 0.5125 0.5649 -0.0888 -0.0140 -0.0579 120 LYS A O 763 C CB . LYS A 99 ? 0.4712 0.4893 0.5513 -0.1026 -0.0048 -0.0663 120 LYS A CB 764 N N . GLU A 100 ? 0.4506 0.4595 0.5134 -0.0856 -0.0226 -0.0534 121 GLU A N 765 C CA . GLU A 100 ? 0.4516 0.4517 0.5055 -0.0785 -0.0259 -0.0474 121 GLU A CA 766 C C . GLU A 100 ? 0.4601 0.4638 0.5112 -0.0736 -0.0360 -0.0445 121 GLU A C 767 O O . GLU A 100 ? 0.4851 0.4948 0.5397 -0.0756 -0.0399 -0.0464 121 GLU A O 768 C CB . GLU A 100 ? 0.4561 0.4375 0.5013 -0.0772 -0.0210 -0.0432 121 GLU A CB 769 C CG . GLU A 100 ? 0.5008 0.4764 0.5467 -0.0807 -0.0112 -0.0448 121 GLU A CG 770 C CD . GLU A 100 ? 0.5203 0.4774 0.5575 -0.0796 -0.0066 -0.0407 121 GLU A CD 771 O OE1 . GLU A 100 ? 0.4692 0.4194 0.5019 -0.0781 -0.0100 -0.0380 121 GLU A OE1 772 O OE2 . GLU A 100 ? 0.5535 0.5029 0.5883 -0.0800 0.0003 -0.0400 121 GLU A OE2 773 N N . ARG A 101 ? 0.4217 0.4216 0.4665 -0.0671 -0.0401 -0.0399 122 ARG A N 774 C CA . ARG A 101 ? 0.3943 0.3948 0.4347 -0.0617 -0.0493 -0.0362 122 ARG A CA 775 C C . ARG A 101 ? 0.4214 0.4104 0.4522 -0.0552 -0.0505 -0.0303 122 ARG A C 776 O O . ARG A 101 ? 0.4481 0.4291 0.4760 -0.0551 -0.0442 -0.0292 122 ARG A O 777 C CB . ARG A 101 ? 0.3907 0.4083 0.4377 -0.0612 -0.0556 -0.0390 122 ARG A CB 778 C CG . ARG A 101 ? 0.3746 0.3972 0.4220 -0.0580 -0.0557 -0.0386 122 ARG A CG 779 C CD . ARG A 101 ? 0.3750 0.4134 0.4278 -0.0565 -0.0628 -0.0406 122 ARG A CD 780 N NE . ARG A 101 ? 0.4098 0.4466 0.4572 -0.0511 -0.0716 -0.0364 122 ARG A NE 781 C CZ . ARG A 101 ? 0.4085 0.4569 0.4586 -0.0485 -0.0788 -0.0369 122 ARG A CZ 782 N NH1 . ARG A 101 ? 0.3792 0.4418 0.4372 -0.0507 -0.0785 -0.0413 122 ARG A NH1 783 N NH2 . ARG A 101 ? 0.3148 0.3605 0.3595 -0.0436 -0.0864 -0.0329 122 ARG A NH2 784 N N . PHE A 102 ? 0.4573 0.4452 0.4830 -0.0496 -0.0585 -0.0263 123 PHE A N 785 C CA . PHE A 102 ? 0.4892 0.4678 0.5064 -0.0431 -0.0602 -0.0209 123 PHE A CA 786 C C . PHE A 102 ? 0.4413 0.4304 0.4597 -0.0388 -0.0670 -0.0203 123 PHE A C 787 O O . PHE A 102 ? 0.4269 0.4283 0.4507 -0.0396 -0.0725 -0.0227 123 PHE A O 788 C CB . PHE A 102 ? 0.5174 0.4815 0.5251 -0.0395 -0.0626 -0.0156 123 PHE A CB 789 C CG . PHE A 102 ? 0.5096 0.4779 0.5174 -0.0383 -0.0705 -0.0150 123 PHE A CG 790 C CD1 . PHE A 102 ? 0.5195 0.4931 0.5254 -0.0331 -0.0787 -0.0127 123 PHE A CD1 791 C CD2 . PHE A 102 ? 0.4728 0.4392 0.4824 -0.0423 -0.0695 -0.0168 123 PHE A CD2 792 C CE1 . PHE A 102 ? 0.5284 0.5056 0.5342 -0.0320 -0.0859 -0.0121 123 PHE A CE1 793 C CE2 . PHE A 102 ? 0.4637 0.4338 0.4733 -0.0413 -0.0767 -0.0162 123 PHE A CE2 794 C CZ . PHE A 102 ? 0.5024 0.4778 0.5100 -0.0362 -0.0848 -0.0139 123 PHE A CZ 795 N N . LEU A 103 ? 0.4427 0.4271 0.4563 -0.0344 -0.0664 -0.0172 124 LEU A N 796 C CA . LEU A 103 ? 0.4665 0.4604 0.4812 -0.0304 -0.0719 -0.0166 124 LEU A CA 797 C C . LEU A 103 ? 0.4793 0.4621 0.4843 -0.0236 -0.0741 -0.0106 124 LEU A C 798 O O . LEU A 103 ? 0.5391 0.5091 0.5384 -0.0228 -0.0688 -0.0081 124 LEU A O 799 C CB . LEU A 103 ? 0.4917 0.4962 0.5140 -0.0336 -0.0674 -0.0211 124 LEU A CB 800 C CG . LEU A 103 ? 0.5407 0.5595 0.5736 -0.0399 -0.0664 -0.0275 124 LEU A CG 801 C CD1 . LEU A 103 ? 0.5790 0.6023 0.6181 -0.0447 -0.0584 -0.0319 124 LEU A CD1 802 C CD2 . LEU A 103 ? 0.5147 0.5479 0.5519 -0.0379 -0.0745 -0.0288 124 LEU A CD2 803 N N . ASP A 104 ? 0.4643 0.4521 0.4674 -0.0185 -0.0820 -0.0084 125 ASP A N 804 C CA . ASP A 104 ? 0.4430 0.4214 0.4372 -0.0117 -0.0850 -0.0027 125 ASP A CA 805 C C . ASP A 104 ? 0.4288 0.3908 0.4140 -0.0096 -0.0843 0.0019 125 ASP A C 806 O O . ASP A 104 ? 0.4252 0.3760 0.4031 -0.0058 -0.0823 0.0059 125 ASP A O 807 C CB . ASP A 104 ? 0.4584 0.4361 0.4522 -0.0105 -0.0803 -0.0025 125 ASP A CB 808 C CG . ASP A 104 ? 0.4761 0.4692 0.4766 -0.0104 -0.0832 -0.0056 125 ASP A CG 809 O OD1 . ASP A 104 ? 0.4483 0.4478 0.4484 -0.0067 -0.0910 -0.0043 125 ASP A OD1 810 O OD2 . ASP A 104 ? 0.5161 0.5153 0.5225 -0.0140 -0.0776 -0.0093 125 ASP A OD2 811 N N . VAL A 105 ? 0.5763 0.2941 0.3562 -0.0043 0.0384 -0.0639 126 VAL A N 812 C CA . VAL A 105 ? 0.5594 0.2984 0.3403 -0.0007 0.0309 -0.0534 126 VAL A CA 813 C C . VAL A 105 ? 0.5761 0.3307 0.3704 -0.0124 0.0213 -0.0515 126 VAL A C 814 O O . VAL A 105 ? 0.5724 0.3341 0.3835 -0.0177 0.0204 -0.0522 126 VAL A O 815 C CB . VAL A 105 ? 0.5224 0.2790 0.3115 0.0124 0.0328 -0.0429 126 VAL A CB 816 C CG1 . VAL A 105 ? 0.4947 0.2766 0.2898 0.0139 0.0238 -0.0318 126 VAL A CG1 817 C CG2 . VAL A 105 ? 0.4884 0.2307 0.2614 0.0245 0.0411 -0.0437 126 VAL A CG2 818 N N . PRO A 106 ? 0.5501 0.3095 0.3368 -0.0166 0.0140 -0.0493 127 PRO A N 819 C CA . PRO A 106 ? 0.5445 0.3178 0.3421 -0.0281 0.0044 -0.0477 127 PRO A CA 820 C C . PRO A 106 ? 0.5696 0.3724 0.3852 -0.0244 -0.0014 -0.0358 127 PRO A C 821 O O . PRO A 106 ? 0.5616 0.3793 0.3748 -0.0204 -0.0070 -0.0274 127 PRO A O 822 C CB . PRO A 106 ? 0.5194 0.2872 0.3003 -0.0313 -0.0004 -0.0485 127 PRO A CB 823 C CG . PRO A 106 ? 0.5739 0.3387 0.3409 -0.0181 0.0040 -0.0442 127 PRO A CG 824 C CD . PRO A 106 ? 0.5881 0.3401 0.3550 -0.0105 0.0144 -0.0480 127 PRO A CD 825 N N . LEU A 107 ? 0.5406 0.3514 0.3740 -0.0257 0.0000 -0.0351 128 LEU A N 826 C CA . LEU A 107 ? 0.5360 0.3742 0.3878 -0.0226 -0.0050 -0.0244 128 LEU A CA 827 C C . LEU A 107 ? 0.5534 0.4061 0.4144 -0.0340 -0.0154 -0.0221 128 LEU A C 828 O O . LEU A 107 ? 0.5461 0.3891 0.4090 -0.0457 -0.0171 -0.0301 128 LEU A O 829 C CB . LEU A 107 ? 0.5491 0.3889 0.4161 -0.0208 0.0004 -0.0255 128 LEU A CB 830 C CG . LEU A 107 ? 0.5437 0.4107 0.4317 -0.0184 -0.0040 -0.0154 128 LEU A CG 831 C CD1 . LEU A 107 ? 0.5769 0.4594 0.4626 -0.0056 -0.0046 -0.0044 128 LEU A CD1 832 C CD2 . LEU A 107 ? 0.5404 0.4047 0.4415 -0.0177 0.0021 -0.0184 128 LEU A CD2 833 N N . CYS A 108 ? 0.5272 0.4029 0.3940 -0.0307 -0.0225 -0.0114 129 CYS A N 834 C CA . CYS A 108 ? 0.5338 0.4247 0.4097 -0.0412 -0.0329 -0.0085 129 CYS A CA 835 C C . CYS A 108 ? 0.4900 0.3888 0.3860 -0.0495 -0.0347 -0.0102 129 CYS A C 836 O O . CYS A 108 ? 0.4575 0.3657 0.3668 -0.0440 -0.0314 -0.0064 129 CYS A O 837 C CB . CYS A 108 ? 0.5436 0.4593 0.4236 -0.0352 -0.0398 0.0041 129 CYS A CB 838 S SG . CYS A 108 ? 0.5921 0.5021 0.4497 -0.0249 -0.0386 0.0078 129 CYS A SG 839 N N . LYS A 109 ? 0.5361 0.4312 0.4344 -0.0628 -0.0400 -0.0158 130 LYS A N 840 C CA . LYS A 109 ? 0.5381 0.4391 0.4548 -0.0718 -0.0419 -0.0183 130 LYS A CA 841 C C . LYS A 109 ? 0.5349 0.4634 0.4723 -0.0682 -0.0459 -0.0077 130 LYS A C 842 O O . LYS A 109 ? 0.5015 0.4327 0.4527 -0.0679 -0.0423 -0.0085 130 LYS A O 843 C CB . LYS A 109 ? 0.5740 0.4703 0.4901 -0.0866 -0.0486 -0.0244 130 LYS A CB 844 C CG . LYS A 109 ? 0.6352 0.5445 0.5468 -0.0893 -0.0579 -0.0183 130 LYS A CG 845 C CD . LYS A 109 ? 0.6551 0.5611 0.5683 -0.1043 -0.0647 -0.0241 130 LYS A CD 846 C CE . LYS A 109 ? 0.6607 0.5733 0.5640 -0.1065 -0.0726 -0.0200 130 LYS A CE 847 N NZ . LYS A 109 ? 0.6382 0.5465 0.5418 -0.1210 -0.0790 -0.0258 130 LYS A NZ 848 N N . GLU A 110 ? 0.5440 0.4929 0.4838 -0.0653 -0.0531 0.0023 131 GLU A N 849 C CA . GLU A 110 ? 0.5446 0.5204 0.5040 -0.0623 -0.0575 0.0127 131 GLU A CA 850 C C . GLU A 110 ? 0.4835 0.4628 0.4488 -0.0502 -0.0500 0.0166 131 GLU A C 851 O O . GLU A 110 ? 0.4989 0.4933 0.4824 -0.0496 -0.0506 0.0210 131 GLU A O 852 C CB . GLU A 110 ? 0.5841 0.5803 0.5431 -0.0598 -0.0660 0.0231 131 GLU A CB 853 C CG . GLU A 110 ? 0.6423 0.6416 0.6006 -0.0722 -0.0751 0.0215 131 GLU A CG 854 C CD . GLU A 110 ? 0.6975 0.6765 0.6338 -0.0747 -0.0743 0.0147 131 GLU A CD 855 O OE1 . GLU A 110 ? 0.6546 0.6201 0.5762 -0.0655 -0.0674 0.0130 131 GLU A OE1 856 O OE2 . GLU A 110 ? 0.7253 0.7015 0.6590 -0.0858 -0.0806 0.0109 131 GLU A OE2 857 N N . ASP A 111 ? 0.4420 0.4075 0.3918 -0.0404 -0.0428 0.0152 132 ASP A N 858 C CA . ASP A 111 ? 0.4954 0.4619 0.4490 -0.0287 -0.0351 0.0182 132 ASP A CA 859 C C . ASP A 111 ? 0.4836 0.4384 0.4457 -0.0327 -0.0289 0.0103 132 ASP A C 860 O O . ASP A 111 ? 0.4600 0.4263 0.4373 -0.0287 -0.0269 0.0144 132 ASP A O 861 C CB . ASP A 111 ? 0.5419 0.4947 0.4760 -0.0178 -0.0287 0.0177 132 ASP A CB 862 C CG . ASP A 111 ? 0.6056 0.5755 0.5359 -0.0098 -0.0334 0.0285 132 ASP A CG 863 O OD1 . ASP A 111 ? 0.6360 0.6300 0.5815 -0.0071 -0.0381 0.0382 132 ASP A OD1 864 O OD2 . ASP A 111 ? 0.6688 0.6279 0.5809 -0.0062 -0.0324 0.0272 132 ASP A OD2 865 N N . CYS A 112 ? 0.5079 0.4395 0.4600 -0.0406 -0.0260 -0.0011 133 CYS A N 866 C CA . CYS A 112 ? 0.5133 0.4327 0.4731 -0.0458 -0.0207 -0.0094 133 CYS A CA 867 C C . CYS A 112 ? 0.5059 0.4435 0.4878 -0.0541 -0.0267 -0.0065 133 CYS A C 868 O O . CYS A 112 ? 0.4791 0.4224 0.4750 -0.0518 -0.0233 -0.0053 133 CYS A O 869 C CB . CYS A 112 ? 0.5305 0.4234 0.4758 -0.0542 -0.0180 -0.0218 133 CYS A CB 870 S SG . CYS A 112 ? 0.5873 0.4626 0.5399 -0.0601 -0.0107 -0.0326 133 CYS A SG 871 N N . GLN A 113 ? 0.5352 0.4824 0.5202 -0.0635 -0.0358 -0.0050 134 GLN A N 872 C CA . GLN A 113 ? 0.5146 0.4796 0.5198 -0.0720 -0.0425 -0.0021 134 GLN A CA 873 C C . GLN A 113 ? 0.5117 0.5004 0.5337 -0.0639 -0.0432 0.0086 134 GLN A C 874 O O . GLN A 113 ? 0.5160 0.5116 0.5547 -0.0669 -0.0426 0.0085 134 GLN A O 875 C CB . GLN A 113 ? 0.5527 0.5271 0.5567 -0.0808 -0.0527 0.0002 134 GLN A CB 876 C CG . GLN A 113 ? 0.6080 0.5968 0.6309 -0.0919 -0.0597 0.0011 134 GLN A CG 877 C CD . GLN A 113 ? 0.6522 0.6223 0.6762 -0.1027 -0.0570 -0.0107 134 GLN A CD 878 O OE1 . GLN A 113 ? 0.7115 0.6595 0.7197 -0.1066 -0.0541 -0.0197 134 GLN A OE1 879 N NE2 . GLN A 113 ? 0.6116 0.5903 0.6542 -0.1076 -0.0577 -0.0108 134 GLN A NE2 880 N N . ARG A 114 ? 0.4908 0.4920 0.5085 -0.0537 -0.0445 0.0178 135 ARG A N 881 C CA . ARG A 114 ? 0.4510 0.4758 0.4837 -0.0454 -0.0457 0.0288 135 ARG A CA 882 C C . ARG A 114 ? 0.4400 0.4590 0.4780 -0.0376 -0.0364 0.0273 135 ARG A C 883 O O . ARG A 114 ? 0.4514 0.4856 0.5073 -0.0365 -0.0369 0.0320 135 ARG A O 884 C CB . ARG A 114 ? 0.4592 0.4961 0.4839 -0.0356 -0.0483 0.0383 135 ARG A CB 885 C CG . ARG A 114 ? 0.4580 0.5195 0.4973 -0.0264 -0.0495 0.0501 135 ARG A CG 886 C CD . ARG A 114 ? 0.4485 0.5320 0.5082 -0.0344 -0.0578 0.0551 135 ARG A CD 887 N NE . ARG A 114 ? 0.4847 0.5933 0.5571 -0.0257 -0.0601 0.0673 135 ARG A NE 888 C CZ . ARG A 114 ? 0.4903 0.6173 0.5631 -0.0228 -0.0671 0.0768 135 ARG A CZ 889 N NH1 . ARG A 114 ? 0.4498 0.5731 0.5109 -0.0281 -0.0726 0.0755 135 ARG A NH1 890 N NH2 . ARG A 114 ? 0.5456 0.6948 0.6306 -0.0147 -0.0685 0.0875 135 ARG A NH2 891 N N . TRP A 115 ? 0.4119 0.4086 0.4339 -0.0323 -0.0281 0.0208 136 TRP A N 892 C CA . TRP A 115 ? 0.4067 0.3940 0.4306 -0.0248 -0.0186 0.0182 136 TRP A CA 893 C C . TRP A 115 ? 0.3928 0.3757 0.4306 -0.0338 -0.0171 0.0117 136 TRP A C 894 O O . TRP A 115 ? 0.4144 0.4075 0.4671 -0.0304 -0.0148 0.0151 136 TRP A O 895 C CB . TRP A 115 ? 0.4226 0.3841 0.4249 -0.0198 -0.0107 0.0108 136 TRP A CB 896 C CG . TRP A 115 ? 0.4523 0.4026 0.4538 -0.0111 -0.0006 0.0082 136 TRP A CG 897 C CD1 . TRP A 115 ? 0.4457 0.4064 0.4631 -0.0068 0.0024 0.0118 136 TRP A CD1 898 C CD2 . TRP A 115 ? 0.4708 0.3972 0.4542 -0.0053 0.0080 0.0014 136 TRP A CD2 899 N NE1 . TRP A 115 ? 0.4471 0.3917 0.4573 0.0012 0.0123 0.0076 136 TRP A NE1 900 C CE2 . TRP A 115 ? 0.4578 0.3813 0.4473 0.0023 0.0159 0.0012 136 TRP A CE2 901 C CE3 . TRP A 115 ? 0.4955 0.4027 0.4581 -0.0058 0.0097 -0.0045 136 TRP A CE3 902 C CZ2 . TRP A 115 ? 0.4992 0.4014 0.4749 0.0092 0.0252 -0.0046 136 TRP A CZ2 903 C CZ3 . TRP A 115 ? 0.5146 0.4006 0.4635 0.0010 0.0190 -0.0103 136 TRP A CZ3 904 C CH2 . TRP A 115 ? 0.5330 0.4166 0.4886 0.0084 0.0267 -0.0103 136 TRP A CH2 905 N N . TRP A 116 ? 0.3920 0.3595 0.4247 -0.0454 -0.0185 0.0022 137 TRP A N 906 C CA . TRP A 116 ? 0.3732 0.3352 0.4181 -0.0551 -0.0176 -0.0048 137 TRP A CA 907 C C . TRP A 116 ? 0.4312 0.4187 0.4987 -0.0591 -0.0243 0.0026 137 TRP A C 908 O O . TRP A 116 ? 0.4563 0.4476 0.5380 -0.0589 -0.0212 0.0024 137 TRP A O 909 C CB . TRP A 116 ? 0.3877 0.3319 0.4229 -0.0673 -0.0198 -0.0149 137 TRP A CB 910 C CG . TRP A 116 ? 0.4311 0.3652 0.4757 -0.0771 -0.0176 -0.0235 137 TRP A CG 911 C CD1 . TRP A 116 ? 0.4165 0.3298 0.4570 -0.0763 -0.0088 -0.0322 137 TRP A CD1 912 C CD2 . TRP A 116 ? 0.4548 0.3988 0.5143 -0.0892 -0.0245 -0.0244 137 TRP A CD2 913 N NE1 . TRP A 116 ? 0.4251 0.3349 0.4772 -0.0873 -0.0098 -0.0384 137 TRP A NE1 914 C CE2 . TRP A 116 ? 0.4535 0.3819 0.5174 -0.0953 -0.0193 -0.0338 137 TRP A CE2 915 C CE3 . TRP A 116 ? 0.4780 0.4425 0.5476 -0.0956 -0.0346 -0.0182 137 TRP A CE3 916 C CZ2 . TRP A 116 ? 0.4704 0.4031 0.5484 -0.1074 -0.0239 -0.0371 137 TRP A CZ2 917 C CZ3 . TRP A 116 ? 0.4927 0.4615 0.5762 -0.1076 -0.0392 -0.0214 137 TRP A CZ3 918 C CH2 . TRP A 116 ? 0.5050 0.4580 0.5927 -0.1134 -0.0338 -0.0308 137 TRP A CH2 919 N N . GLU A 117 ? 0.4151 0.4203 0.4861 -0.0625 -0.0336 0.0094 138 GLU A N 920 C CA . GLU A 117 ? 0.4761 0.5060 0.5683 -0.0668 -0.0406 0.0165 138 GLU A CA 921 C C . GLU A 117 ? 0.4585 0.5060 0.5631 -0.0557 -0.0381 0.0258 138 GLU A C 922 O O . GLU A 117 ? 0.4464 0.5048 0.5689 -0.0582 -0.0386 0.0275 138 GLU A O 923 C CB . GLU A 117 ? 0.5129 0.5580 0.6049 -0.0717 -0.0509 0.0223 138 GLU A CB 924 C CG . GLU A 117 ? 0.5968 0.6269 0.6784 -0.0836 -0.0545 0.0137 138 GLU A CG 925 C CD . GLU A 117 ? 0.6970 0.7431 0.7795 -0.0889 -0.0650 0.0196 138 GLU A CD 926 O OE1 . GLU A 117 ? 0.7225 0.7609 0.8017 -0.1005 -0.0695 0.0135 138 GLU A OE1 927 O OE2 . GLU A 117 ? 0.7309 0.7970 0.8173 -0.0815 -0.0687 0.0304 138 GLU A OE2 928 N N . ASP A 118 ? 0.4414 0.4918 0.5366 -0.0435 -0.0353 0.0318 139 ASP A N 929 C CA . ASP A 118 ? 0.4248 0.4913 0.5304 -0.0324 -0.0326 0.0407 139 ASP A CA 930 C C . ASP A 118 ? 0.4168 0.4711 0.5263 -0.0285 -0.0231 0.0355 139 ASP A C 931 O O . ASP A 118 ? 0.4524 0.5202 0.5749 -0.0220 -0.0212 0.0416 139 ASP A O 932 C CB . ASP A 118 ? 0.4114 0.4835 0.5051 -0.0202 -0.0320 0.0483 139 ASP A CB 933 C CG . ASP A 118 ? 0.4595 0.5524 0.5561 -0.0221 -0.0420 0.0571 139 ASP A CG 934 O OD1 . ASP A 118 ? 0.4679 0.5742 0.5784 -0.0315 -0.0493 0.0588 139 ASP A OD1 935 O OD2 . ASP A 118 ? 0.4313 0.5275 0.5165 -0.0140 -0.0426 0.0626 139 ASP A OD2 936 N N . CYS A 119 ? 0.3720 0.4007 0.4702 -0.0325 -0.0173 0.0243 140 CYS A N 937 C CA . CYS A 119 ? 0.3999 0.4151 0.5004 -0.0290 -0.0081 0.0188 140 CYS A CA 938 C C . CYS A 119 ? 0.4459 0.4571 0.5597 -0.0404 -0.0086 0.0119 140 CYS A C 939 O O . CYS A 119 ? 0.4527 0.4528 0.5700 -0.0392 -0.0015 0.0067 140 CYS A O 940 C CB . CYS A 119 ? 0.4124 0.4013 0.4919 -0.0243 -0.0001 0.0110 140 CYS A CB 941 S SG . CYS A 119 ? 0.4579 0.4508 0.5243 -0.0078 0.0034 0.0192 140 CYS A SG 942 N N . HIS A 120 ? 0.7487 0.5937 0.5480 -0.1261 -0.1333 0.0014 141 HIS A N 943 C CA . HIS A 120 ? 0.8401 0.6578 0.6168 -0.1203 -0.1349 -0.0054 141 HIS A CA 944 C C . HIS A 120 ? 0.7970 0.6201 0.5877 -0.1146 -0.1389 -0.0072 141 HIS A C 945 O O . HIS A 120 ? 0.7893 0.6048 0.5814 -0.1022 -0.1347 -0.0150 141 HIS A O 946 C CB . HIS A 120 ? 0.9654 0.7561 0.7059 -0.1328 -0.1431 -0.0023 141 HIS A CB 947 C CG . HIS A 120 ? 1.0919 0.8515 0.8030 -0.1271 -0.1407 -0.0099 141 HIS A CG 948 N ND1 . HIS A 120 ? 1.1593 0.9111 0.8619 -0.1215 -0.1321 -0.0146 141 HIS A ND1 949 C CD2 . HIS A 120 ? 1.1602 0.8948 0.8490 -0.1257 -0.1456 -0.0139 141 HIS A CD2 950 C CE1 . HIS A 120 ? 1.2292 0.9522 0.9050 -0.1171 -0.1319 -0.0211 141 HIS A CE1 951 N NE2 . HIS A 120 ? 1.2289 0.9411 0.8960 -0.1196 -0.1400 -0.0208 141 HIS A NE2 952 N N . THR A 121 ? 0.7710 0.6071 0.5715 -0.1239 -0.1471 0.0001 142 THR A N 953 C CA . THR A 121 ? 0.7264 0.5672 0.5384 -0.1204 -0.1522 -0.0005 142 THR A CA 954 C C . THR A 121 ? 0.6792 0.5496 0.5297 -0.1099 -0.1465 -0.0021 142 THR A C 955 O O . THR A 121 ? 0.6841 0.5622 0.5482 -0.1064 -0.1502 -0.0024 142 THR A O 956 C CB . THR A 121 ? 0.7332 0.5753 0.5394 -0.1349 -0.1639 0.0082 142 THR A CB 957 O OG1 . THR A 121 ? 0.7207 0.5890 0.5476 -0.1426 -0.1643 0.0160 142 THR A OG1 958 C CG2 . THR A 121 ? 0.7447 0.5564 0.5121 -0.1455 -0.1702 0.0098 142 THR A CG2 959 N N . SER A 122 ? 0.6182 0.5057 0.4866 -0.1048 -0.1377 -0.0030 143 SER A N 960 C CA . SER A 122 ? 0.5997 0.5148 0.5045 -0.0941 -0.1317 -0.0050 143 SER A CA 961 C C . SER A 122 ? 0.5600 0.4679 0.4681 -0.0776 -0.1231 -0.0152 143 SER A C 962 O O . SER A 122 ? 0.5723 0.4531 0.4538 -0.0745 -0.1220 -0.0208 143 SER A O 963 C CB . SER A 122 ? 0.5921 0.5341 0.5199 -0.0975 -0.1273 0.0002 143 SER A CB 964 O OG . SER A 122 ? 0.5972 0.5515 0.5299 -0.1109 -0.1357 0.0096 143 SER A OG 965 N N . HIS A 123 ? 0.5033 0.4352 0.4438 -0.0672 -0.1172 -0.0176 144 HIS A N 966 C CA . HIS A 123 ? 0.4852 0.4125 0.4320 -0.0512 -0.1097 -0.0271 144 HIS A CA 967 C C . HIS A 123 ? 0.4814 0.4305 0.4554 -0.0410 -0.0989 -0.0301 144 HIS A C 968 O O . HIS A 123 ? 0.4424 0.4173 0.4400 -0.0446 -0.0979 -0.0246 144 HIS A O 969 C CB . HIS A 123 ? 0.5130 0.4427 0.4700 -0.0461 -0.1144 -0.0290 144 HIS A CB 970 C CG . HIS A 123 ? 0.5844 0.4892 0.5130 -0.0534 -0.1239 -0.0280 144 HIS A CG 971 N ND1 . HIS A 123 ? 0.5971 0.5043 0.5209 -0.0670 -0.1340 -0.0198 144 HIS A ND1 972 C CD2 . HIS A 123 ? 0.6124 0.4884 0.5147 -0.0495 -0.1250 -0.0340 144 HIS A CD2 973 C CE1 . HIS A 123 ? 0.5976 0.4794 0.4944 -0.0709 -0.1408 -0.0208 144 HIS A CE1 974 N NE2 . HIS A 123 ? 0.6159 0.4780 0.4989 -0.0604 -0.1355 -0.0295 144 HIS A NE2 975 N N . THR A 124 ? 0.4845 0.4230 0.4549 -0.0282 -0.0909 -0.0388 145 THR A N 976 C CA . THR A 124 ? 0.4633 0.4211 0.4593 -0.0169 -0.0803 -0.0426 145 THR A CA 977 C C . THR A 124 ? 0.4818 0.4286 0.4773 -0.0011 -0.0734 -0.0528 145 THR A C 978 O O . THR A 124 ? 0.5272 0.4498 0.5005 0.0009 -0.0767 -0.0570 145 THR A O 979 C CB . THR A 124 ? 0.4871 0.4477 0.4785 -0.0215 -0.0749 -0.0401 145 THR A CB 980 O OG1 . THR A 124 ? 0.4670 0.4518 0.4884 -0.0120 -0.0655 -0.0422 145 THR A OG1 981 C CG2 . THR A 124 ? 0.4269 0.3569 0.3845 -0.0206 -0.0722 -0.0451 145 THR A CG2 982 N N . CYS A 125 ? 0.3839 0.3486 0.4041 0.0099 -0.0640 -0.0566 146 CYS A N 983 C CA . CYS A 125 ? 0.4412 0.3982 0.4641 0.0255 -0.0568 -0.0661 146 CYS A CA 984 C C . CYS A 125 ? 0.4972 0.4530 0.5196 0.0328 -0.0461 -0.0706 146 CYS A C 985 O O . CYS A 125 ? 0.5517 0.4995 0.5739 0.0455 -0.0394 -0.0787 146 CYS A O 986 C CB . CYS A 125 ? 0.3669 0.3469 0.4231 0.0349 -0.0555 -0.0679 146 CYS A CB 987 S SG . CYS A 125 ? 0.4422 0.4629 0.5400 0.0351 -0.0509 -0.0625 146 CYS A SG 988 N N . LYS A 126 ? 0.5149 0.4783 0.5366 0.0246 -0.0445 -0.0653 147 LYS A N 989 C CA . LYS A 126 ? 0.4848 0.4490 0.5072 0.0305 -0.0345 -0.0688 147 LYS A CA 990 C C . LYS A 126 ? 0.4826 0.4351 0.4815 0.0187 -0.0359 -0.0641 147 LYS A C 991 O O . LYS A 126 ? 0.4770 0.4316 0.4697 0.0053 -0.0437 -0.0565 147 LYS A O 992 C CB . LYS A 126 ? 0.4750 0.4721 0.5356 0.0369 -0.0276 -0.0678 147 LYS A CB 993 C CG . LYS A 126 ? 0.4336 0.4407 0.5170 0.0522 -0.0224 -0.0746 147 LYS A CG 994 C CD . LYS A 126 ? 0.3693 0.4113 0.4918 0.0558 -0.0179 -0.0718 147 LYS A CD 995 C CE . LYS A 126 ? 0.3648 0.4167 0.4918 0.0531 -0.0114 -0.0692 147 LYS A CE 996 N NZ . LYS A 126 ? 0.4316 0.4672 0.5444 0.0622 -0.0026 -0.0765 147 LYS A NZ 997 N N . SER A 127 ? 0.4964 0.4371 0.4826 0.0239 -0.0281 -0.0687 148 SER A N 998 C CA . SER A 127 ? 0.5347 0.4635 0.4981 0.0138 -0.0285 -0.0651 148 SER A CA 999 C C . SER A 127 ? 0.5398 0.4916 0.5237 0.0137 -0.0213 -0.0620 148 SER A C 1000 O O . SER A 127 ? 0.5334 0.4819 0.5045 0.0042 -0.0219 -0.0574 148 SER A O 1001 C CB . SER A 127 ? 0.6053 0.5028 0.5368 0.0183 -0.0254 -0.0719 148 SER A CB 1002 O OG . SER A 127 ? 0.6481 0.5492 0.5907 0.0325 -0.0145 -0.0792 148 SER A OG 1003 N N . ASN A 128 ? 0.5122 0.4870 0.5281 0.0246 -0.0145 -0.0647 149 ASN A N 1004 C CA . ASN A 128 ? 0.4737 0.4739 0.5139 0.0250 -0.0079 -0.0615 149 ASN A CA 1005 C C . ASN A 128 ? 0.4340 0.4641 0.5084 0.0249 -0.0104 -0.0573 149 ASN A C 1006 O O . ASN A 128 ? 0.3932 0.4328 0.4874 0.0358 -0.0078 -0.0618 149 ASN A O 1007 C CB . ASN A 128 ? 0.5211 0.5220 0.5689 0.0392 0.0038 -0.0692 149 ASN A CB 1008 C CG . ASN A 128 ? 0.4945 0.5203 0.5658 0.0398 0.0110 -0.0661 149 ASN A CG 1009 O OD1 . ASN A 128 ? 0.4485 0.4993 0.5438 0.0348 0.0087 -0.0599 149 ASN A OD1 1010 N ND2 . ASN A 128 ? 0.4950 0.5136 0.5590 0.0460 0.0197 -0.0704 149 ASN A ND2 1011 N N . TRP A 129 ? 0.4273 0.4724 0.5090 0.0125 -0.0154 -0.0485 150 TRP A N 1012 C CA . TRP A 129 ? 0.4155 0.4883 0.5281 0.0110 -0.0188 -0.0438 150 TRP A CA 1013 C C . TRP A 129 ? 0.3805 0.4833 0.5270 0.0167 -0.0108 -0.0429 150 TRP A C 1014 O O . TRP A 129 ? 0.3691 0.4967 0.5435 0.0163 -0.0127 -0.0392 150 TRP A O 1015 C CB . TRP A 129 ? 0.4527 0.5275 0.5576 -0.0052 -0.0293 -0.0346 150 TRP A CB 1016 C CG . TRP A 129 ? 0.4520 0.5036 0.5316 -0.0106 -0.0385 -0.0347 150 TRP A CG 1017 C CD1 . TRP A 129 ? 0.4632 0.4888 0.5209 -0.0041 -0.0384 -0.0418 150 TRP A CD1 1018 C CD2 . TRP A 129 ? 0.4028 0.4552 0.4768 -0.0238 -0.0494 -0.0273 150 TRP A CD2 1019 N NE1 . TRP A 129 ? 0.4714 0.4816 0.5101 -0.0124 -0.0485 -0.0392 150 TRP A NE1 1020 C CE2 . TRP A 129 ? 0.4349 0.4609 0.4829 -0.0245 -0.0554 -0.0304 150 TRP A CE2 1021 C CE3 . TRP A 129 ? 0.3876 0.4603 0.4757 -0.0349 -0.0546 -0.0183 150 TRP A CE3 1022 C CZ2 . TRP A 129 ? 0.3906 0.4102 0.4266 -0.0361 -0.0664 -0.0247 150 TRP A CZ2 1023 C CZ3 . TRP A 129 ? 0.3881 0.4544 0.4641 -0.0465 -0.0655 -0.0127 150 TRP A CZ3 1024 C CH2 . TRP A 129 ? 0.4072 0.4472 0.4576 -0.0469 -0.0713 -0.0159 150 TRP A CH2 1025 N N . HIS A 130 ? 0.3150 0.3921 0.4409 0.0274 -0.0890 -0.0545 151 HIS A N 1026 C CA . HIS A 130 ? 0.3634 0.4541 0.4981 0.0246 -0.0945 -0.0566 151 HIS A CA 1027 C C . HIS A 130 ? 0.4508 0.5437 0.5796 0.0282 -0.1052 -0.0544 151 HIS A C 1028 O O . HIS A 130 ? 0.5164 0.6126 0.6432 0.0253 -0.1096 -0.0556 151 HIS A O 1029 C CB . HIS A 130 ? 0.3564 0.4659 0.5139 0.0238 -0.0942 -0.0587 151 HIS A CB 1030 C CG . HIS A 130 ? 0.3287 0.4404 0.4939 0.0179 -0.0856 -0.0620 151 HIS A CG 1031 N ND1 . HIS A 130 ? 0.3141 0.4338 0.4943 0.0178 -0.0805 -0.0633 151 HIS A ND1 1032 C CD2 . HIS A 130 ? 0.3311 0.4385 0.4916 0.0119 -0.0813 -0.0644 151 HIS A CD2 1033 C CE1 . HIS A 130 ? 0.2886 0.4088 0.4730 0.0119 -0.0735 -0.0663 151 HIS A CE1 1034 N NE2 . HIS A 130 ? 0.3023 0.4152 0.4750 0.0082 -0.0738 -0.0669 151 HIS A NE2 1035 N N . ARG A 131 ? 0.4796 0.5704 0.6053 0.0344 -0.1094 -0.0512 152 ARG A N 1036 C CA . ARG A 131 ? 0.4955 0.5904 0.6181 0.0384 -0.1199 -0.0488 152 ARG A CA 1037 C C . ARG A 131 ? 0.5258 0.6058 0.6308 0.0433 -0.1221 -0.0452 152 ARG A C 1038 O O . ARG A 131 ? 0.5122 0.5858 0.6153 0.0467 -0.1181 -0.0435 152 ARG A O 1039 C CB . ARG A 131 ? 0.4914 0.6047 0.6332 0.0419 -0.1251 -0.0482 152 ARG A CB 1040 C CG . ARG A 131 ? 0.5545 0.6848 0.7136 0.0378 -0.1262 -0.0511 152 ARG A CG 1041 C CD . ARG A 131 ? 0.6153 0.7573 0.7838 0.0401 -0.1269 -0.0473 152 ARG A CD 1042 N NE . ARG A 131 ? 0.6700 0.8188 0.8446 0.0340 -0.1179 -0.0462 152 ARG A NE 1043 C CZ . ARG A 131 ? 0.6947 0.8466 0.8671 0.0293 -0.1176 -0.0451 152 ARG A CZ 1044 N NH1 . ARG A 131 ? 0.7096 0.8587 0.8744 0.0296 -0.1256 -0.0454 152 ARG A NH1 1045 N NH2 . ARG A 131 ? 0.6761 0.8328 0.8525 0.0245 -0.1094 -0.0433 152 ARG A NH2 1046 N N . GLY A 132 ? 0.5109 0.5853 0.6030 0.0438 -0.1286 -0.0440 153 GLY A N 1047 C CA . GLY A 132 ? 0.5027 0.5650 0.5791 0.0489 -0.1322 -0.0403 153 GLY A CA 1048 C C . GLY A 132 ? 0.5105 0.5543 0.5648 0.0475 -0.1303 -0.0397 153 GLY A C 1049 O O . GLY A 132 ? 0.5503 0.5843 0.5910 0.0518 -0.1341 -0.0366 153 GLY A O 1050 N N . TRP A 133 ? 0.4722 0.5110 0.5225 0.0418 -0.1245 -0.0425 154 TRP A N 1051 C CA . TRP A 133 ? 0.4720 0.4927 0.5009 0.0405 -0.1216 -0.0419 154 TRP A CA 1052 C C . TRP A 133 ? 0.5172 0.5352 0.5344 0.0415 -0.1308 -0.0410 154 TRP A C 1053 O O . TRP A 133 ? 0.5150 0.5463 0.5420 0.0415 -0.1388 -0.0417 154 TRP A O 1054 C CB . TRP A 133 ? 0.4303 0.4472 0.4587 0.0340 -0.1130 -0.0451 154 TRP A CB 1055 C CG . TRP A 133 ? 0.4277 0.4454 0.4659 0.0326 -0.1036 -0.0459 154 TRP A CG 1056 C CD1 . TRP A 133 ? 0.4151 0.4469 0.4726 0.0297 -0.1007 -0.0486 154 TRP A CD1 1057 C CD2 . TRP A 133 ? 0.4281 0.4317 0.4574 0.0340 -0.0959 -0.0440 154 TRP A CD2 1058 N NE1 . TRP A 133 ? 0.4289 0.4562 0.4899 0.0293 -0.0919 -0.0486 154 TRP A NE1 1059 C CE2 . TRP A 133 ? 0.4197 0.4298 0.4638 0.0318 -0.0888 -0.0457 154 TRP A CE2 1060 C CE3 . TRP A 133 ? 0.4651 0.4515 0.4755 0.0370 -0.0945 -0.0408 154 TRP A CE3 1061 C CZ2 . TRP A 133 ? 0.4360 0.4356 0.4768 0.0323 -0.0805 -0.0445 154 TRP A CZ2 1062 C CZ3 . TRP A 133 ? 0.4418 0.4180 0.4492 0.0375 -0.0860 -0.0394 154 TRP A CZ3 1063 C CH2 . TRP A 133 ? 0.4326 0.4153 0.4551 0.0351 -0.0793 -0.0413 154 TRP A CH2 1064 N N . ASP A 134 ? 0.5540 0.5548 0.5503 0.0426 -0.1297 -0.0393 155 ASP A N 1065 C CA . ASP A 134 ? 0.5875 0.5832 0.5701 0.0428 -0.1372 -0.0390 155 ASP A CA 1066 C C . ASP A 134 ? 0.6054 0.5967 0.5823 0.0368 -0.1331 -0.0422 155 ASP A C 1067 O O . ASP A 134 ? 0.5945 0.5712 0.5577 0.0353 -0.1256 -0.0421 155 ASP A O 1068 C CB . ASP A 134 ? 0.6584 0.6381 0.6210 0.0475 -0.1388 -0.0353 155 ASP A CB 1069 C CG . ASP A 134 ? 0.7228 0.6945 0.6687 0.0473 -0.1452 -0.0352 155 ASP A CG 1070 O OD1 . ASP A 134 ? 0.7453 0.7267 0.6973 0.0448 -0.1515 -0.0374 155 ASP A OD1 1071 O OD2 . ASP A 134 ? 0.7448 0.7004 0.6714 0.0498 -0.1440 -0.0329 155 ASP A OD2 1072 N N . TRP A 135 ? 0.5997 0.6038 0.5872 0.0335 -0.1381 -0.0450 156 TRP A N 1073 C CA . TRP A 135 ? 0.5709 0.5733 0.5560 0.0276 -0.1346 -0.0484 156 TRP A CA 1074 C C . TRP A 135 ? 0.6078 0.6017 0.5760 0.0272 -0.1410 -0.0487 156 TRP A C 1075 O O . TRP A 135 ? 0.6574 0.6496 0.6223 0.0226 -0.1392 -0.0516 156 TRP A O 1076 C CB . TRP A 135 ? 0.4843 0.5056 0.4914 0.0238 -0.1358 -0.0515 156 TRP A CB 1077 C CG . TRP A 135 ? 0.4815 0.5095 0.5040 0.0221 -0.1271 -0.0526 156 TRP A CG 1078 C CD1 . TRP A 135 ? 0.4590 0.5001 0.4989 0.0246 -0.1281 -0.0518 156 TRP A CD1 1079 C CD2 . TRP A 135 ? 0.4927 0.5148 0.5144 0.0178 -0.1161 -0.0546 156 TRP A CD2 1080 N NE1 . TRP A 135 ? 0.4389 0.4823 0.4888 0.0220 -0.1186 -0.0534 156 TRP A NE1 1081 C CE2 . TRP A 135 ? 0.4668 0.4988 0.5061 0.0177 -0.1111 -0.0550 156 TRP A CE2 1082 C CE3 . TRP A 135 ? 0.4889 0.4983 0.4969 0.0140 -0.1099 -0.0560 156 TRP A CE3 1083 C CZ2 . TRP A 135 ? 0.4537 0.4832 0.4972 0.0138 -0.1005 -0.0568 156 TRP A CZ2 1084 C CZ3 . TRP A 135 ? 0.4260 0.4331 0.4384 0.0102 -0.0991 -0.0575 156 TRP A CZ3 1085 C CH2 . TRP A 135 ? 0.4248 0.4420 0.4550 0.0101 -0.0946 -0.0579 156 TRP A CH2 1086 N N . THR A 136 ? 0.6255 0.6140 0.5829 0.0321 -0.1485 -0.0457 157 THR A N 1087 C CA . THR A 136 ? 0.6160 0.5985 0.5590 0.0322 -0.1564 -0.0459 157 THR A CA 1088 C C . THR A 136 ? 0.6145 0.5791 0.5367 0.0303 -0.1506 -0.0467 157 THR A C 1089 O O . THR A 136 ? 0.6301 0.5896 0.5406 0.0294 -0.1561 -0.0477 157 THR A O 1090 C CB . THR A 136 ? 0.6197 0.6001 0.5556 0.0382 -0.1657 -0.0423 157 THR A CB 1091 O OG1 . THR A 136 ? 0.6018 0.5710 0.5285 0.0423 -0.1604 -0.0391 157 THR A OG1 1092 C CG2 . THR A 136 ? 0.6239 0.6236 0.5803 0.0397 -0.1735 -0.0417 157 THR A CG2 1093 N N . SER A 137 ? 0.5929 0.5479 0.5103 0.0297 -0.1398 -0.0460 158 SER A N 1094 C CA . SER A 137 ? 0.6692 0.6084 0.5687 0.0275 -0.1331 -0.0468 158 SER A CA 1095 C C . SER A 137 ? 0.6735 0.6182 0.5824 0.0212 -0.1265 -0.0507 158 SER A C 1096 O O . SER A 137 ? 0.6871 0.6209 0.5833 0.0185 -0.1212 -0.0519 158 SER A O 1097 C CB . SER A 137 ? 0.6957 0.6201 0.5832 0.0303 -0.1248 -0.0436 158 SER A CB 1098 O OG . SER A 137 ? 0.7209 0.6501 0.6222 0.0284 -0.1159 -0.0440 158 SER A OG 1099 N N . GLY A 138 ? 0.6283 0.5900 0.5594 0.0189 -0.1267 -0.0526 159 GLY A N 1100 C CA . GLY A 138 ? 0.6055 0.5738 0.5473 0.0130 -0.1207 -0.0562 159 GLY A CA 1101 C C . GLY A 138 ? 0.6180 0.5881 0.5705 0.0115 -0.1100 -0.0562 159 GLY A C 1102 O O . GLY A 138 ? 0.6106 0.5915 0.5786 0.0072 -0.1060 -0.0590 159 GLY A O 1103 N N . VAL A 139 ? 0.6136 0.5729 0.5577 0.0150 -0.1053 -0.0530 160 VAL A N 1104 C CA . VAL A 139 ? 0.5787 0.5398 0.5335 0.0144 -0.0962 -0.0525 160 VAL A CA 1105 C C . VAL A 139 ? 0.5697 0.5341 0.5299 0.0198 -0.0996 -0.0495 160 VAL A C 1106 O O . VAL A 139 ? 0.5946 0.5542 0.5446 0.0243 -0.1067 -0.0470 160 VAL A O 1107 C CB . VAL A 139 ? 0.5435 0.4881 0.4845 0.0128 -0.0853 -0.0515 160 VAL A CB 1108 C CG1 . VAL A 139 ? 0.5408 0.4791 0.4710 0.0088 -0.0835 -0.0538 160 VAL A CG1 1109 C CG2 . VAL A 139 ? 0.5868 0.5163 0.5109 0.0180 -0.0851 -0.0473 160 VAL A CG2 1110 N N . ASN A 140 ? 0.5143 0.4870 0.4908 0.0194 -0.0949 -0.0497 161 ASN A N 1111 C CA . ASN A 140 ? 0.4953 0.4726 0.4788 0.0245 -0.0982 -0.0472 161 ASN A CA 1112 C C . ASN A 140 ? 0.5115 0.4722 0.4781 0.0289 -0.0959 -0.0433 161 ASN A C 1113 O O . ASN A 140 ? 0.5282 0.4766 0.4862 0.0275 -0.0871 -0.0426 161 ASN A O 1114 C CB . ASN A 140 ? 0.4712 0.4600 0.4749 0.0231 -0.0929 -0.0485 161 ASN A CB 1115 C CG . ASN A 140 ? 0.4741 0.4537 0.4756 0.0199 -0.0811 -0.0489 161 ASN A CG 1116 O OD1 . ASN A 140 ? 0.4720 0.4492 0.4713 0.0149 -0.0761 -0.0512 161 ASN A OD1 1117 N ND2 . ASN A 140 ? 0.4157 0.3898 0.4175 0.0229 -0.0768 -0.0465 161 ASN A ND2 1118 N N . LYS A 141 ? 0.5118 0.4721 0.4736 0.0342 -0.1039 -0.0406 162 LYS A N 1119 C CA . LYS A 141 ? 0.5736 0.5198 0.5212 0.0390 -0.1026 -0.0367 162 LYS A CA 1120 C C . LYS A 141 ? 0.5663 0.5204 0.5243 0.0440 -0.1070 -0.0345 162 LYS A C 1121 O O . LYS A 141 ? 0.5592 0.5282 0.5304 0.0449 -0.1142 -0.0355 162 LYS A O 1122 C CB . LYS A 141 ? 0.6334 0.5680 0.5604 0.0411 -0.1082 -0.0350 162 LYS A CB 1123 C CG . LYS A 141 ? 0.6814 0.6052 0.5946 0.0371 -0.1035 -0.0365 162 LYS A CG 1124 C CD . LYS A 141 ? 0.7508 0.6659 0.6455 0.0395 -0.1110 -0.0353 162 LYS A CD 1125 C CE . LYS A 141 ? 0.8111 0.7063 0.6842 0.0416 -0.1058 -0.0323 162 LYS A CE 1126 N NZ . LYS A 141 ? 0.8471 0.7339 0.7136 0.0370 -0.0963 -0.0339 162 LYS A NZ 1127 N N . CYS A 142 ? 0.5517 0.4959 0.5039 0.0474 -0.1027 -0.0316 163 CYS A N 1128 C CA . CYS A 142 ? 0.5635 0.5142 0.5250 0.0524 -0.1062 -0.0295 163 CYS A CA 1129 C C . CYS A 142 ? 0.5233 0.4808 0.4839 0.0564 -0.1178 -0.0282 163 CYS A C 1130 O O . CYS A 142 ? 0.5528 0.5012 0.4972 0.0579 -0.1223 -0.0267 163 CYS A O 1131 C CB . CYS A 142 ? 0.5830 0.5192 0.5343 0.0559 -0.1008 -0.0261 163 CYS A CB 1132 S SG . CYS A 142 ? 0.5990 0.5288 0.5542 0.0513 -0.0875 -0.0274 163 CYS A SG 1133 N N . PRO A 143 ? 0.4735 0.4472 0.4517 0.0581 -0.1228 -0.0287 164 PRO A N 1134 C CA . PRO A 143 ? 0.4655 0.4471 0.4448 0.0619 -0.1340 -0.0271 164 PRO A CA 1135 C C . PRO A 143 ? 0.4989 0.4719 0.4684 0.0684 -0.1368 -0.0229 164 PRO A C 1136 O O . PRO A 143 ? 0.4937 0.4556 0.4568 0.0699 -0.1301 -0.0212 164 PRO A O 1137 C CB . PRO A 143 ? 0.4366 0.4380 0.4390 0.0617 -0.1366 -0.0288 164 PRO A CB 1138 C CG . PRO A 143 ? 0.4546 0.4555 0.4659 0.0604 -0.1268 -0.0298 164 PRO A CG 1139 C CD . PRO A 143 ? 0.4204 0.4062 0.4185 0.0563 -0.1182 -0.0308 164 PRO A CD 1140 N N . ALA A 144 ? 0.5221 0.5004 0.4906 0.0721 -0.1468 -0.0210 165 ALA A N 1141 C CA . ALA A 144 ? 0.5092 0.4816 0.4701 0.0786 -0.1505 -0.0169 165 ALA A CA 1142 C C . ALA A 144 ? 0.4789 0.4569 0.4530 0.0816 -0.1469 -0.0160 165 ALA A C 1143 O O . ALA A 144 ? 0.4563 0.4493 0.4490 0.0804 -0.1469 -0.0180 165 ALA A O 1144 C CB . ALA A 144 ? 0.4899 0.4699 0.4508 0.0817 -0.1623 -0.0153 165 ALA A CB 1145 N N . GLY A 145 ? 0.4836 0.4494 0.4480 0.0856 -0.1438 -0.0129 166 GLY A N 1146 C CA . GLY A 145 ? 0.4758 0.4452 0.4509 0.0889 -0.1406 -0.0119 166 GLY A CA 1147 C C . GLY A 145 ? 0.5088 0.4741 0.4888 0.0853 -0.1298 -0.0140 166 GLY A C 1148 O O . GLY A 145 ? 0.5416 0.5051 0.5264 0.0881 -0.1259 -0.0128 166 GLY A O 1149 N N . ALA A 146 ? 0.4787 0.4422 0.4573 0.0792 -0.1251 -0.0169 167 ALA A N 1150 C CA . ALA A 146 ? 0.5155 0.4753 0.4988 0.0752 -0.1148 -0.0190 167 ALA A CA 1151 C C . ALA A 146 ? 0.5321 0.4721 0.4975 0.0747 -0.1079 -0.0171 167 ALA A C 1152 O O . ALA A 146 ? 0.5442 0.4754 0.4959 0.0723 -0.1075 -0.0172 167 ALA A O 1153 C CB . ALA A 146 ? 0.4727 0.4420 0.4655 0.0688 -0.1128 -0.0231 167 ALA A CB 1154 N N . LEU A 147 ? 0.5590 0.4917 0.5243 0.0770 -0.1025 -0.0153 168 LEU A N 1155 C CA . LEU A 147 ? 0.5531 0.4672 0.5024 0.0767 -0.0958 -0.0132 168 LEU A CA 1156 C C . LEU A 147 ? 0.5314 0.4428 0.4859 0.0713 -0.0858 -0.0154 168 LEU A C 1157 O O . LEU A 147 ? 0.5622 0.4845 0.5335 0.0695 -0.0835 -0.0179 168 LEU A O 1158 C CB . LEU A 147 ? 0.5732 0.4795 0.5182 0.0826 -0.0959 -0.0094 168 LEU A CB 1159 C CG . LEU A 147 ? 0.5791 0.4816 0.5129 0.0884 -0.1040 -0.0060 168 LEU A CG 1160 C CD1 . LEU A 147 ? 0.5511 0.4435 0.4799 0.0934 -0.1019 -0.0024 168 LEU A CD1 1161 C CD2 . LEU A 147 ? 0.5934 0.4855 0.5089 0.0871 -0.1055 -0.0051 168 LEU A CD2 1162 N N . CYS A 148 ? 0.4827 0.3796 0.4230 0.0687 -0.0798 -0.0145 169 CYS A N 1163 C CA . CYS A 148 ? 0.4691 0.3618 0.4135 0.0640 -0.0698 -0.0159 169 CYS A CA 1164 C C . CYS A 148 ? 0.5127 0.3992 0.4600 0.0668 -0.0654 -0.0137 169 CYS A C 1165 O O . CYS A 148 ? 0.5015 0.3785 0.4387 0.0717 -0.0673 -0.0101 169 CYS A O 1166 C CB . CYS A 148 ? 0.4568 0.3360 0.3853 0.0606 -0.0645 -0.0153 169 CYS A CB 1167 S SG . CYS A 148 ? 0.6163 0.5033 0.5442 0.0556 -0.0675 -0.0190 169 CYS A SG 1168 N N . ARG A 149 ? 0.5328 0.4253 0.4947 0.0638 -0.0598 -0.0160 170 ARG A N 1169 C CA . ARG A 149 ? 0.5517 0.4393 0.5186 0.0657 -0.0551 -0.0146 170 ARG A CA 1170 C C . ARG A 149 ? 0.5344 0.4227 0.5103 0.0598 -0.0464 -0.0171 170 ARG A C 1171 O O . ARG A 149 ? 0.4913 0.3853 0.4705 0.0549 -0.0447 -0.0200 170 ARG A O 1172 C CB . ARG A 149 ? 0.5050 0.4049 0.4855 0.0702 -0.0610 -0.0151 170 ARG A CB 1173 C CG . ARG A 149 ? 0.5491 0.4519 0.5238 0.0759 -0.0705 -0.0130 170 ARG A CG 1174 C CD . ARG A 149 ? 0.5096 0.4276 0.5003 0.0794 -0.0760 -0.0141 170 ARG A CD 1175 N NE . ARG A 149 ? 0.5050 0.4303 0.4936 0.0833 -0.0857 -0.0130 170 ARG A NE 1176 C CZ . ARG A 149 ? 0.5153 0.4363 0.4969 0.0895 -0.0908 -0.0096 170 ARG A CZ 1177 N NH1 . ARG A 149 ? 0.4776 0.3868 0.4534 0.0926 -0.0872 -0.0069 170 ARG A NH1 1178 N NH2 . ARG A 149 ? 0.4059 0.3343 0.3863 0.0925 -0.0997 -0.0087 170 ARG A NH2 1179 N N . THR A 150 ? 0.5308 0.4135 0.5111 0.0603 -0.0409 -0.0161 171 THR A N 1180 C CA . THR A 150 ? 0.5671 0.4519 0.5582 0.0551 -0.0331 -0.0186 171 THR A CA 1181 C C . THR A 150 ? 0.5583 0.4619 0.5681 0.0531 -0.0356 -0.0229 171 THR A C 1182 O O . THR A 150 ? 0.5333 0.4479 0.5496 0.0569 -0.0430 -0.0235 171 THR A O 1183 C CB . THR A 150 ? 0.6017 0.4779 0.5951 0.0568 -0.0281 -0.0166 171 THR A CB 1184 O OG1 . THR A 150 ? 0.5836 0.4671 0.5855 0.0621 -0.0337 -0.0166 171 THR A OG1 1185 C CG2 . THR A 150 ? 0.6211 0.4788 0.5968 0.0585 -0.0252 -0.0122 171 THR A CG2 1186 N N . PHE A 151 ? 0.5328 0.4403 0.5512 0.0473 -0.0294 -0.0258 172 PHE A N 1187 C CA . PHE A 151 ? 0.5292 0.4540 0.5660 0.0451 -0.0308 -0.0298 172 PHE A CA 1188 C C . PHE A 151 ? 0.5609 0.4921 0.6094 0.0496 -0.0331 -0.0299 172 PHE A C 1189 O O . PHE A 151 ? 0.5392 0.4851 0.5993 0.0516 -0.0387 -0.0318 172 PHE A O 1190 C CB . PHE A 151 ? 0.4969 0.4225 0.5406 0.0383 -0.0225 -0.0324 172 PHE A CB 1191 C CG . PHE A 151 ? 0.4405 0.3736 0.4850 0.0336 -0.0230 -0.0351 172 PHE A CG 1192 C CD1 . PHE A 151 ? 0.4047 0.3523 0.4654 0.0298 -0.0220 -0.0391 172 PHE A CD1 1193 C CD2 . PHE A 151 ? 0.4461 0.3716 0.4750 0.0331 -0.0247 -0.0337 172 PHE A CD2 1194 C CE1 . PHE A 151 ? 0.4065 0.3608 0.4681 0.0254 -0.0225 -0.0416 172 PHE A CE1 1195 C CE2 . PHE A 151 ? 0.4594 0.3912 0.4886 0.0288 -0.0253 -0.0362 172 PHE A CE2 1196 C CZ . PHE A 151 ? 0.4113 0.3575 0.4569 0.0249 -0.0242 -0.0402 172 PHE A CZ 1197 N N . GLU A 152 ? 0.5913 0.5111 0.6369 0.0510 -0.0286 -0.0278 173 GLU A N 1198 C CA . GLU A 152 ? 0.6518 0.5753 0.7071 0.0554 -0.0302 -0.0277 173 GLU A CA 1199 C C . GLU A 152 ? 0.6015 0.5312 0.6561 0.0620 -0.0393 -0.0264 173 GLU A C 1200 O O . GLU A 152 ? 0.5854 0.5253 0.6521 0.0654 -0.0425 -0.0275 173 GLU A O 1201 C CB . GLU A 152 ? 0.7357 0.6431 0.7842 0.0564 -0.0246 -0.0249 173 GLU A CB 1202 C CG . GLU A 152 ? 0.7924 0.7019 0.8496 0.0611 -0.0262 -0.0247 173 GLU A CG 1203 C CD . GLU A 152 ? 0.8648 0.7601 0.9190 0.0604 -0.0195 -0.0228 173 GLU A CD 1204 O OE1 . GLU A 152 ? 0.8986 0.7808 0.9413 0.0574 -0.0144 -0.0207 173 GLU A OE1 1205 O OE2 . GLU A 152 ? 0.8724 0.7695 0.9358 0.0629 -0.0193 -0.0235 173 GLU A OE2 1206 N N . SER A 153 ? 0.5611 0.4847 0.6014 0.0641 -0.0434 -0.0238 174 SER A N 1207 C CA . SER A 153 ? 0.5920 0.5214 0.6310 0.0702 -0.0523 -0.0223 174 SER A CA 1208 C C . SER A 153 ? 0.5768 0.5255 0.6294 0.0699 -0.0580 -0.0253 174 SER A C 1209 O O . SER A 153 ? 0.5928 0.5514 0.6546 0.0745 -0.0631 -0.0253 174 SER A O 1210 C CB . SER A 153 ? 0.6418 0.5599 0.6621 0.0721 -0.0554 -0.0189 174 SER A CB 1211 O OG . SER A 153 ? 0.6964 0.6224 0.7164 0.0770 -0.0644 -0.0179 174 SER A OG 1212 N N . TYR A 154 ? 0.5569 0.5111 0.6109 0.0645 -0.0571 -0.0277 175 TYR A N 1213 C CA . TYR A 154 ? 0.4996 0.4719 0.5663 0.0638 -0.0624 -0.0305 175 TYR A CA 1214 C C . TYR A 154 ? 0.4833 0.4676 0.5685 0.0610 -0.0587 -0.0340 175 TYR A C 1215 O O . TYR A 154 ? 0.4763 0.4766 0.5746 0.0619 -0.0632 -0.0358 175 TYR A O 1216 C CB . TYR A 154 ? 0.4350 0.4082 0.4948 0.0596 -0.0641 -0.0314 175 TYR A CB 1217 C CG . TYR A 154 ? 0.4476 0.4147 0.4927 0.0633 -0.0707 -0.0284 175 TYR A CG 1218 C CD1 . TYR A 154 ? 0.4341 0.4119 0.4836 0.0679 -0.0797 -0.0276 175 TYR A CD1 1219 C CD2 . TYR A 154 ? 0.4256 0.3762 0.4524 0.0625 -0.0680 -0.0261 175 TYR A CD2 1220 C CE1 . TYR A 154 ? 0.4468 0.4189 0.4828 0.0713 -0.0861 -0.0248 175 TYR A CE1 1221 C CE2 . TYR A 154 ? 0.4415 0.3862 0.4544 0.0661 -0.0743 -0.0234 175 TYR A CE2 1222 C CZ . TYR A 154 ? 0.4744 0.4300 0.4921 0.0704 -0.0834 -0.0227 175 TYR A CZ 1223 O OH . TYR A 154 ? 0.4996 0.4496 0.5038 0.0740 -0.0898 -0.0199 175 TYR A OH 1224 N N . PHE A 155 ? 0.4350 0.4112 0.5210 0.0579 -0.0504 -0.0346 176 PHE A N 1225 C CA . PHE A 155 ? 0.3939 0.3793 0.4964 0.0551 -0.0460 -0.0379 176 PHE A CA 1226 C C . PHE A 155 ? 0.4270 0.4030 0.5303 0.0568 -0.0408 -0.0369 176 PHE A C 1227 O O . PHE A 155 ? 0.4479 0.4141 0.5480 0.0526 -0.0334 -0.0371 176 PHE A O 1228 C CB . PHE A 155 ? 0.3922 0.3787 0.4966 0.0476 -0.0403 -0.0406 176 PHE A CB 1229 C CG . PHE A 155 ? 0.4154 0.4087 0.5169 0.0453 -0.0447 -0.0415 176 PHE A CG 1230 C CD1 . PHE A 155 ? 0.4142 0.4249 0.5278 0.0465 -0.0512 -0.0433 176 PHE A CD1 1231 C CD2 . PHE A 155 ? 0.4110 0.3935 0.4981 0.0419 -0.0424 -0.0406 176 PHE A CD2 1232 C CE1 . PHE A 155 ? 0.4260 0.4428 0.5372 0.0443 -0.0555 -0.0442 176 PHE A CE1 1233 C CE2 . PHE A 155 ? 0.4515 0.4397 0.5356 0.0397 -0.0466 -0.0417 176 PHE A CE2 1234 C CZ . PHE A 155 ? 0.4666 0.4720 0.5630 0.0408 -0.0534 -0.0436 176 PHE A CZ 1235 N N . PRO A 156 ? 0.4149 0.3936 0.5225 0.0630 -0.0448 -0.0357 177 PRO A N 1236 C CA . PRO A 156 ? 0.4596 0.4280 0.5663 0.0657 -0.0411 -0.0343 177 PRO A CA 1237 C C . PRO A 156 ? 0.5062 0.4774 0.6253 0.0618 -0.0345 -0.0373 177 PRO A C 1238 O O . PRO A 156 ? 0.5309 0.4903 0.6470 0.0615 -0.0294 -0.0363 177 PRO A O 1239 C CB . PRO A 156 ? 0.4548 0.4298 0.5658 0.0733 -0.0481 -0.0331 177 PRO A CB 1240 C CG . PRO A 156 ? 0.4877 0.4721 0.5967 0.0748 -0.0556 -0.0325 177 PRO A CG 1241 C CD . PRO A 156 ? 0.4157 0.4076 0.5292 0.0681 -0.0534 -0.0355 177 PRO A CD 1242 N N . THR A 157 ? 0.4625 0.4491 0.5954 0.0588 -0.0347 -0.0408 178 THR A N 1243 C CA . THR A 157 ? 0.4085 0.3994 0.5538 0.0546 -0.0286 -0.0440 178 THR A CA 1244 C C . THR A 157 ? 0.4135 0.4112 0.5629 0.0476 -0.0255 -0.0467 178 THR A C 1245 O O . THR A 157 ? 0.4548 0.4586 0.6014 0.0468 -0.0296 -0.0468 178 THR A O 1246 C CB . THR A 157 ? 0.4074 0.4123 0.5687 0.0585 -0.0315 -0.0460 178 THR A CB 1247 O OG1 . THR A 157 ? 0.4258 0.4463 0.5935 0.0604 -0.0382 -0.0469 178 THR A OG1 1248 C CG2 . THR A 157 ? 0.4307 0.4284 0.5889 0.0652 -0.0336 -0.0437 178 THR A CG2 1249 N N . PRO A 158 ? 0.4949 0.4855 0.4576 -0.0005 0.0325 -0.0142 179 PRO A N 1250 C CA . PRO A 158 ? 0.4764 0.4686 0.4425 0.0007 0.0287 -0.0129 179 PRO A CA 1251 C C . PRO A 158 ? 0.4429 0.4337 0.4034 -0.0003 0.0232 -0.0134 179 PRO A C 1252 O O . PRO A 158 ? 0.4519 0.4400 0.4098 0.0033 0.0217 -0.0130 179 PRO A O 1253 C CB . PRO A 158 ? 0.4514 0.4497 0.4265 -0.0034 0.0273 -0.0118 179 PRO A CB 1254 C CG . PRO A 158 ? 0.4662 0.4651 0.4438 -0.0041 0.0327 -0.0120 179 PRO A CG 1255 C CD . PRO A 158 ? 0.4631 0.4576 0.4324 -0.0038 0.0348 -0.0138 179 PRO A CD 1256 N N . ALA A 159 ? 0.4641 0.4568 0.4227 -0.0050 0.0201 -0.0142 180 ALA A N 1257 C CA . ALA A 159 ? 0.4475 0.4393 0.4008 -0.0062 0.0147 -0.0146 180 ALA A CA 1258 C C . ALA A 159 ? 0.4730 0.4593 0.4176 -0.0022 0.0155 -0.0154 180 ALA A C 1259 O O . ALA A 159 ? 0.5113 0.4960 0.4522 -0.0014 0.0114 -0.0152 180 ALA A O 1260 C CB . ALA A 159 ? 0.3850 0.3795 0.3370 -0.0118 0.0119 -0.0155 180 ALA A CB 1261 N N . ALA A 160 ? 0.4469 0.4301 0.3880 0.0003 0.0206 -0.0161 181 ALA A N 1262 C CA . ALA A 160 ? 0.5048 0.4828 0.4373 0.0041 0.0216 -0.0168 181 ALA A CA 1263 C C . ALA A 160 ? 0.5399 0.5149 0.4724 0.0088 0.0215 -0.0158 181 ALA A C 1264 O O . ALA A 160 ? 0.5658 0.5375 0.4920 0.0106 0.0191 -0.0160 181 ALA A O 1265 C CB . ALA A 160 ? 0.4539 0.4293 0.3831 0.0058 0.0273 -0.0178 181 ALA A CB 1266 N N . LEU A 161 ? 0.4652 0.4414 0.4045 0.0107 0.0242 -0.0148 182 LEU A N 1267 C CA . LEU A 161 ? 0.4506 0.4243 0.3906 0.0154 0.0244 -0.0138 182 LEU A CA 1268 C C . LEU A 161 ? 0.4994 0.4746 0.4407 0.0140 0.0184 -0.0129 182 LEU A C 1269 O O . LEU A 161 ? 0.4659 0.4374 0.4021 0.0164 0.0161 -0.0127 182 LEU A O 1270 C CB . LEU A 161 ? 0.4796 0.4551 0.4273 0.0174 0.0289 -0.0128 182 LEU A CB 1271 C CG . LEU A 161 ? 0.4911 0.4658 0.4422 0.0215 0.0290 -0.0113 182 LEU A CG 1272 C CD1 . LEU A 161 ? 0.5452 0.5135 0.4892 0.0268 0.0307 -0.0115 182 LEU A CD1 1273 C CD2 . LEU A 161 ? 0.5128 0.4908 0.4723 0.0225 0.0331 -0.0102 182 LEU A CD2 1274 N N . CYS A 162 ? 0.5282 0.5088 0.4763 0.0099 0.0160 -0.0123 183 CYS A N 1275 C CA . CYS A 162 ? 0.5539 0.5368 0.5049 0.0084 0.0106 -0.0113 183 CYS A CA 1276 C C . CYS A 162 ? 0.6041 0.5851 0.5480 0.0064 0.0053 -0.0120 183 CYS A C 1277 O O . CYS A 162 ? 0.6451 0.6243 0.5870 0.0079 0.0018 -0.0114 183 CYS A O 1278 C CB . CYS A 162 ? 0.5102 0.4996 0.4699 0.0039 0.0094 -0.0107 183 CYS A CB 1279 S SG . CYS A 162 ? 0.7224 0.7146 0.6913 0.0062 0.0145 -0.0093 183 CYS A SG 1280 N N . GLU A 163 ? 0.5600 0.5415 0.4999 0.0032 0.0048 -0.0133 184 GLU A N 1281 C CA . GLU A 163 ? 0.5934 0.5739 0.5267 0.0009 -0.0001 -0.0139 184 GLU A CA 1282 C C . GLU A 163 ? 0.5511 0.5258 0.4751 0.0045 0.0010 -0.0146 184 GLU A C 1283 O O . GLU A 163 ? 0.5307 0.5028 0.4493 0.0050 -0.0029 -0.0144 184 GLU A O 1284 C CB . GLU A 163 ? 0.6225 0.6067 0.5559 -0.0044 -0.0016 -0.0149 184 GLU A CB 1285 C CG . GLU A 163 ? 0.6524 0.6423 0.5944 -0.0086 -0.0034 -0.0143 184 GLU A CG 1286 C CD . GLU A 163 ? 0.6638 0.6570 0.6054 -0.0138 -0.0047 -0.0152 184 GLU A CD 1287 O OE1 . GLU A 163 ? 0.6534 0.6444 0.5883 -0.0139 -0.0035 -0.0163 184 GLU A OE1 1288 O OE2 . GLU A 163 ? 0.6466 0.6444 0.5944 -0.0178 -0.0070 -0.0148 184 GLU A OE2 1289 N N . GLY A 164 ? 0.5433 0.5158 0.4653 0.0069 0.0064 -0.0152 185 GLY A N 1290 C CA . GLY A 164 ? 0.5180 0.4854 0.4311 0.0100 0.0079 -0.0159 185 GLY A CA 1291 C C . GLY A 164 ? 0.5296 0.4920 0.4403 0.0154 0.0094 -0.0152 185 GLY A C 1292 O O . GLY A 164 ? 0.5238 0.4820 0.4266 0.0172 0.0080 -0.0154 185 GLY A O 1293 N N . LEU A 165 ? 0.5030 0.4656 0.4200 0.0181 0.0121 -0.0143 186 LEU A N 1294 C CA . LEU A 165 ? 0.4799 0.4375 0.3944 0.0238 0.0144 -0.0137 186 LEU A CA 1295 C C . LEU A 165 ? 0.5047 0.4592 0.4143 0.0246 0.0094 -0.0131 186 LEU A C 1296 O O . LEU A 165 ? 0.5262 0.4753 0.4283 0.0276 0.0098 -0.0133 186 LEU A O 1297 C CB . LEU A 165 ? 0.4931 0.4520 0.4155 0.0265 0.0182 -0.0127 186 LEU A CB 1298 C CG . LEU A 165 ? 0.4873 0.4408 0.4072 0.0327 0.0215 -0.0121 186 LEU A CG 1299 C CD1 . LEU A 165 ? 0.4702 0.4249 0.3964 0.0353 0.0275 -0.0117 186 LEU A CD1 1300 C CD2 . LEU A 165 ? 0.4627 0.4141 0.3820 0.0347 0.0178 -0.0109 186 LEU A CD2 1301 N N . TRP A 166 ? 0.4873 0.4449 0.4008 0.0217 0.0047 -0.0125 187 TRP A N 1302 C CA . TRP A 166 ? 0.4860 0.4407 0.3946 0.0220 -0.0005 -0.0120 187 TRP A CA 1303 C C . TRP A 166 ? 0.5174 0.4738 0.4217 0.0171 -0.0057 -0.0127 187 TRP A C 1304 O O . TRP A 166 ? 0.5457 0.5036 0.4510 0.0147 -0.0108 -0.0122 187 TRP A O 1305 C CB . TRP A 166 ? 0.4530 0.4092 0.3680 0.0228 -0.0025 -0.0106 187 TRP A CB 1306 C CG . TRP A 166 ? 0.4741 0.4279 0.3922 0.0283 0.0020 -0.0096 187 TRP A CG 1307 C CD1 . TRP A 166 ? 0.4875 0.4451 0.4146 0.0291 0.0040 -0.0085 187 TRP A CD1 1308 C CD2 . TRP A 166 ? 0.4812 0.4284 0.3933 0.0336 0.0049 -0.0096 187 TRP A CD2 1309 N NE1 . TRP A 166 ? 0.4739 0.4278 0.4011 0.0347 0.0081 -0.0078 187 TRP A NE1 1310 C CE2 . TRP A 166 ? 0.4530 0.4004 0.3710 0.0376 0.0087 -0.0085 187 TRP A CE2 1311 C CE3 . TRP A 166 ? 0.4847 0.4261 0.3870 0.0353 0.0046 -0.0103 187 TRP A CE3 1312 C CZ2 . TRP A 166 ? 0.4284 0.3701 0.3428 0.0433 0.0123 -0.0081 187 TRP A CZ2 1313 C CZ3 . TRP A 166 ? 0.4726 0.4083 0.3713 0.0408 0.0081 -0.0099 187 TRP A CZ3 1314 C CH2 . TRP A 166 ? 0.4439 0.3797 0.3486 0.0448 0.0119 -0.0089 187 TRP A CH2 1315 N N . SER A 167 ? 0.5109 0.4672 0.4106 0.0157 -0.0043 -0.0138 188 SER A N 1316 C CA . SER A 167 ? 0.4536 0.4115 0.3484 0.0114 -0.0087 -0.0145 188 SER A CA 1317 C C . SER A 167 ? 0.4748 0.4375 0.3743 0.0067 -0.0139 -0.0141 188 SER A C 1318 O O . SER A 167 ? 0.4746 0.4367 0.3701 0.0048 -0.0192 -0.0140 188 SER A O 1319 C CB . SER A 167 ? 0.3849 0.3376 0.2699 0.0130 -0.0112 -0.0145 188 SER A CB 1320 O OG . SER A 167 ? 0.4180 0.3673 0.3025 0.0155 -0.0133 -0.0135 188 SER A OG 1321 N N . HIS A 168 ? 0.4946 0.4622 0.4027 0.0048 -0.0123 -0.0140 189 HIS A N 1322 C CA . HIS A 168 ? 0.4946 0.4675 0.4080 -0.0001 -0.0166 -0.0138 189 HIS A CA 1323 C C . HIS A 168 ? 0.4998 0.4731 0.4164 -0.0002 -0.0208 -0.0126 189 HIS A C 1324 O O . HIS A 168 ? 0.5159 0.4925 0.4342 -0.0043 -0.0256 -0.0125 189 HIS A O 1325 C CB . HIS A 168 ? 0.4842 0.4587 0.3925 -0.0045 -0.0200 -0.0147 189 HIS A CB 1326 C CG . HIS A 168 ? 0.5422 0.5175 0.4487 -0.0051 -0.0159 -0.0158 189 HIS A CG 1327 N ND1 . HIS A 168 ? 0.5051 0.4848 0.4171 -0.0082 -0.0143 -0.0161 189 HIS A ND1 1328 C CD2 . HIS A 168 ? 0.5775 0.5493 0.4769 -0.0027 -0.0130 -0.0164 189 HIS A CD2 1329 C CE1 . HIS A 168 ? 0.5522 0.5311 0.4605 -0.0078 -0.0106 -0.0171 189 HIS A CE1 1330 N NE2 . HIS A 168 ? 0.5879 0.5622 0.4888 -0.0045 -0.0097 -0.0172 189 HIS A NE2 1331 N N . SER A 169 ? 0.4845 0.4545 0.4021 0.0045 -0.0189 -0.0117 190 SER A N 1332 C CA . SER A 169 ? 0.4665 0.4377 0.3891 0.0047 -0.0219 -0.0105 190 SER A CA 1333 C C . SER A 169 ? 0.4592 0.4374 0.3913 0.0009 -0.0223 -0.0102 190 SER A C 1334 O O . SER A 169 ? 0.4425 0.4236 0.3779 -0.0018 -0.0268 -0.0096 190 SER A O 1335 C CB . SER A 169 ? 0.4524 0.4199 0.3762 0.0105 -0.0185 -0.0095 190 SER A CB 1336 O OG . SER A 169 ? 0.4436 0.4044 0.3585 0.0139 -0.0190 -0.0096 190 SER A OG 1337 N N . TYR A 170 ? 0.4365 0.4171 0.3726 0.0005 -0.0176 -0.0106 191 TYR A N 1338 C CA . TYR A 170 ? 0.4441 0.4311 0.3890 -0.0031 -0.0173 -0.0103 191 TYR A CA 1339 C C . TYR A 170 ? 0.4784 0.4679 0.4220 -0.0076 -0.0172 -0.0115 191 TYR A C 1340 O O . TYR A 170 ? 0.4917 0.4783 0.4293 -0.0065 -0.0148 -0.0126 191 TYR A O 1341 C CB . TYR A 170 ? 0.4315 0.4196 0.3829 -0.0002 -0.0115 -0.0095 191 TYR A CB 1342 C CG . TYR A 170 ? 0.4447 0.4308 0.3986 0.0047 -0.0104 -0.0081 191 TYR A CG 1343 C CD1 . TYR A 170 ? 0.4336 0.4222 0.3922 0.0041 -0.0141 -0.0068 191 TYR A CD1 1344 C CD2 . TYR A 170 ? 0.4273 0.4093 0.3791 0.0099 -0.0055 -0.0080 191 TYR A CD2 1345 C CE1 . TYR A 170 ? 0.4811 0.4679 0.4418 0.0089 -0.0129 -0.0054 191 TYR A CE1 1346 C CE2 . TYR A 170 ? 0.4297 0.4099 0.3837 0.0146 -0.0042 -0.0067 191 TYR A CE2 1347 C CZ . TYR A 170 ? 0.4913 0.4738 0.4495 0.0141 -0.0079 -0.0054 191 TYR A CZ 1348 O OH . TYR A 170 ? 0.4808 0.4614 0.4409 0.0190 -0.0066 -0.0039 191 TYR A OH 1349 N N . LYS A 171 ? 0.4963 0.4912 0.4455 -0.0124 -0.0197 -0.0114 192 LYS A N 1350 C CA . LYS A 171 ? 0.5019 0.5001 0.4529 -0.0161 -0.0178 -0.0123 192 LYS A CA 1351 C C . LYS A 171 ? 0.5467 0.5490 0.5072 -0.0167 -0.0150 -0.0114 192 LYS A C 1352 O O . LYS A 171 ? 0.5764 0.5806 0.5425 -0.0159 -0.0164 -0.0101 192 LYS A O 1353 C CB . LYS A 171 ? 0.4837 0.4849 0.4335 -0.0216 -0.0230 -0.0129 192 LYS A CB 1354 C CG . LYS A 171 ? 0.4610 0.4658 0.4163 -0.0240 -0.0278 -0.0118 192 LYS A CG 1355 C CD . LYS A 171 ? 0.4738 0.4827 0.4300 -0.0300 -0.0319 -0.0124 192 LYS A CD 1356 C CE . LYS A 171 ? 0.5240 0.5363 0.4855 -0.0322 -0.0368 -0.0113 192 LYS A CE 1357 N NZ . LYS A 171 ? 0.5578 0.5747 0.5217 -0.0382 -0.0404 -0.0117 192 LYS A NZ 1358 N N . VAL A 172 ? 0.5526 0.5562 0.5148 -0.0181 -0.0109 -0.0120 193 VAL A N 1359 C CA . VAL A 172 ? 0.5016 0.5094 0.4726 -0.0191 -0.0082 -0.0111 193 VAL A CA 1360 C C . VAL A 172 ? 0.5076 0.5209 0.4838 -0.0249 -0.0120 -0.0109 193 VAL A C 1361 O O . VAL A 172 ? 0.5808 0.5951 0.5546 -0.0288 -0.0131 -0.0119 193 VAL A O 1362 C CB . VAL A 172 ? 0.5248 0.5314 0.4956 -0.0181 -0.0021 -0.0117 193 VAL A CB 1363 C CG1 . VAL A 172 ? 0.5323 0.5438 0.5119 -0.0206 0.0000 -0.0109 193 VAL A CG1 1364 C CG2 . VAL A 172 ? 0.5468 0.5486 0.5144 -0.0119 0.0020 -0.0116 193 VAL A CG2 1365 N N . SER A 173 ? 0.4777 0.4947 0.4611 -0.0255 -0.0141 -0.0094 194 SER A N 1366 C CA . SER A 173 ? 0.4924 0.5149 0.4813 -0.0309 -0.0178 -0.0090 194 SER A CA 1367 C C . SER A 173 ? 0.5083 0.5345 0.5036 -0.0333 -0.0140 -0.0087 194 SER A C 1368 O O . SER A 173 ? 0.5198 0.5457 0.5182 -0.0302 -0.0094 -0.0080 194 SER A O 1369 C CB . SER A 173 ? 0.4913 0.5163 0.4850 -0.0304 -0.0216 -0.0075 194 SER A CB 1370 O OG . SER A 173 ? 0.5177 0.5475 0.5155 -0.0358 -0.0260 -0.0072 194 SER A OG 1371 N N . ASN A 174 ? 0.5141 0.5437 0.5112 -0.0389 -0.0160 -0.0091 195 ASN A N 1372 C CA . ASN A 174 ? 0.5253 0.5586 0.5285 -0.0419 -0.0130 -0.0087 195 ASN A CA 1373 C C . ASN A 174 ? 0.5059 0.5449 0.5184 -0.0436 -0.0149 -0.0069 195 ASN A C 1374 O O . ASN A 174 ? 0.5193 0.5622 0.5375 -0.0469 -0.0135 -0.0063 195 ASN A O 1375 C CB . ASN A 174 ? 0.5433 0.5773 0.5438 -0.0471 -0.0140 -0.0100 195 ASN A CB 1376 C CG . ASN A 174 ? 0.5650 0.6007 0.5691 -0.0493 -0.0097 -0.0100 195 ASN A CG 1377 O OD1 . ASN A 174 ? 0.5426 0.5755 0.5454 -0.0462 -0.0045 -0.0102 195 ASN A OD1 1378 N ND2 . ASN A 174 ? 0.6438 0.6837 0.6522 -0.0549 -0.0118 -0.0097 195 ASN A ND2 1379 N N . TYR A 175 ? 0.5297 0.5690 0.5434 -0.0413 -0.0181 -0.0059 196 TYR A N 1380 C CA . TYR A 175 ? 0.5466 0.5912 0.5689 -0.0421 -0.0197 -0.0040 196 TYR A CA 1381 C C . TYR A 175 ? 0.5591 0.6038 0.5855 -0.0374 -0.0152 -0.0026 196 TYR A C 1382 O O . TYR A 175 ? 0.5785 0.6184 0.6002 -0.0326 -0.0119 -0.0031 196 TYR A O 1383 C CB . TYR A 175 ? 0.5973 0.6423 0.6189 -0.0419 -0.0255 -0.0035 196 TYR A CB 1384 C CG . TYR A 175 ? 0.6297 0.6768 0.6503 -0.0476 -0.0305 -0.0043 196 TYR A CG 1385 C CD1 . TYR A 175 ? 0.6731 0.7260 0.7004 -0.0528 -0.0318 -0.0037 196 TYR A CD1 1386 C CD2 . TYR A 175 ? 0.6624 0.7060 0.6753 -0.0479 -0.0340 -0.0057 196 TYR A CD2 1387 C CE1 . TYR A 175 ? 0.7188 0.7736 0.7452 -0.0580 -0.0364 -0.0044 196 TYR A CE1 1388 C CE2 . TYR A 175 ? 0.7115 0.7572 0.7235 -0.0531 -0.0386 -0.0064 196 TYR A CE2 1389 C CZ . TYR A 175 ? 0.7555 0.8067 0.7743 -0.0581 -0.0397 -0.0058 196 TYR A CZ 1390 O OH . TYR A 175 ? 0.7844 0.8377 0.8023 -0.0633 -0.0443 -0.0065 196 TYR A OH 1391 N N . SER A 176 ? 0.5754 0.6259 0.6106 -0.0388 -0.0149 -0.0008 197 SER A N 1392 C CA . SER A 176 ? 0.6127 0.6644 0.6528 -0.0348 -0.0105 0.0008 197 SER A CA 1393 C C . SER A 176 ? 0.5690 0.6207 0.6108 -0.0302 -0.0122 0.0023 197 SER A C 1394 O O . SER A 176 ? 0.5848 0.6372 0.6262 -0.0313 -0.0172 0.0025 197 SER A O 1395 C CB . SER A 176 ? 0.6640 0.7223 0.7128 -0.0387 -0.0091 0.0021 197 SER A CB 1396 O OG . SER A 176 ? 0.7448 0.8019 0.7920 -0.0409 -0.0053 0.0010 197 SER A OG 1397 N N . ARG A 177 ? 0.5389 0.5893 0.5821 -0.0250 -0.0079 0.0033 198 ARG A N 1398 C CA . ARG A 177 ? 0.5165 0.5674 0.5623 -0.0204 -0.0088 0.0050 198 ARG A CA 1399 C C . ARG A 177 ? 0.5138 0.5719 0.5680 -0.0236 -0.0120 0.0069 198 ARG A C 1400 O O . ARG A 177 ? 0.5016 0.5652 0.5624 -0.0270 -0.0104 0.0077 198 ARG A O 1401 C CB . ARG A 177 ? 0.4964 0.5463 0.5441 -0.0151 -0.0030 0.0060 198 ARG A CB 1402 C CG . ARG A 177 ? 0.5171 0.5596 0.5566 -0.0114 0.0005 0.0043 198 ARG A CG 1403 C CD . ARG A 177 ? 0.4718 0.5142 0.5142 -0.0073 0.0066 0.0053 198 ARG A CD 1404 N NE . ARG A 177 ? 0.4724 0.5186 0.5213 -0.0041 0.0068 0.0077 198 ARG A NE 1405 C CZ . ARG A 177 ? 0.5137 0.5567 0.5602 0.0011 0.0058 0.0084 198 ARG A CZ 1406 N NH1 . ARG A 177 ? 0.4865 0.5225 0.5242 0.0034 0.0044 0.0069 198 ARG A NH1 1407 N NH2 . ARG A 177 ? 0.5386 0.5855 0.5914 0.0039 0.0062 0.0108 198 ARG A NH2 1408 N N . GLY A 178 ? 0.5779 0.6360 0.6316 -0.0227 -0.0166 0.0075 199 GLY A N 1409 C CA . GLY A 178 ? 0.5878 0.6528 0.6493 -0.0253 -0.0198 0.0093 199 GLY A CA 1410 C C . GLY A 178 ? 0.5831 0.6509 0.6450 -0.0320 -0.0245 0.0084 199 GLY A C 1411 O O . GLY A 178 ? 0.5699 0.6437 0.6384 -0.0350 -0.0273 0.0099 199 GLY A O 1412 N N . SER A 179 ? 0.5498 0.6134 0.6048 -0.0343 -0.0253 0.0061 200 SER A N 1413 C CA . SER A 179 ? 0.4896 0.5551 0.5439 -0.0405 -0.0298 0.0051 200 SER A CA 1414 C C . SER A 179 ? 0.4260 0.4907 0.4781 -0.0403 -0.0356 0.0052 200 SER A C 1415 O O . SER A 179 ? 0.4207 0.4886 0.4744 -0.0452 -0.0400 0.0051 200 SER A O 1416 C CB . SER A 179 ? 0.5071 0.5683 0.5542 -0.0425 -0.0286 0.0027 200 SER A CB 1417 O OG . SER A 179 ? 0.5096 0.5640 0.5482 -0.0384 -0.0286 0.0015 200 SER A OG 1418 N N . GLY A 180 ? 0.4225 0.4826 0.4704 -0.0347 -0.0355 0.0055 201 GLY A N 1419 C CA . GLY A 180 ? 0.4313 0.4887 0.4747 -0.0341 -0.0408 0.0052 201 GLY A CA 1420 C C . GLY A 180 ? 0.4429 0.4957 0.4778 -0.0365 -0.0431 0.0028 201 GLY A C 1421 O O . GLY A 180 ? 0.4357 0.4868 0.4665 -0.0375 -0.0480 0.0024 201 GLY A O 1422 N N . ARG A 181 ? 0.4506 0.5015 0.4825 -0.0373 -0.0395 0.0015 202 ARG A N 1423 C CA . ARG A 181 ? 0.4384 0.4856 0.4624 -0.0397 -0.0413 -0.0006 202 ARG A CA 1424 C C . ARG A 181 ? 0.4454 0.4860 0.4617 -0.0353 -0.0376 -0.0018 202 ARG A C 1425 O O . ARG A 181 ? 0.4823 0.5196 0.4917 -0.0366 -0.0383 -0.0035 202 ARG A O 1426 C CB . ARG A 181 ? 0.4209 0.4719 0.4474 -0.0457 -0.0412 -0.0014 202 ARG A CB 1427 C CG . ARG A 181 ? 0.4266 0.4839 0.4598 -0.0506 -0.0454 -0.0005 202 ARG A CG 1428 C CD . ARG A 181 ? 0.5011 0.5574 0.5304 -0.0523 -0.0516 -0.0010 202 ARG A CD 1429 N NE . ARG A 181 ? 0.5486 0.6108 0.5844 -0.0567 -0.0556 0.0000 202 ARG A NE 1430 C CZ . ARG A 181 ? 0.5374 0.6020 0.5776 -0.0553 -0.0582 0.0016 202 ARG A CZ 1431 N NH1 . ARG A 181 ? 0.5092 0.5704 0.5476 -0.0496 -0.0571 0.0024 202 ARG A NH1 1432 N NH2 . ARG A 181 ? 0.5158 0.5861 0.5621 -0.0597 -0.0618 0.0025 202 ARG A NH2 1433 N N . CYS A 182 ? 0.4084 0.4472 0.4259 -0.0299 -0.0336 -0.0008 203 CYS A N 1434 C CA . CYS A 182 ? 0.4114 0.4436 0.4217 -0.0253 -0.0302 -0.0017 203 CYS A CA 1435 C C . CYS A 182 ? 0.4564 0.4860 0.4670 -0.0190 -0.0284 -0.0004 203 CYS A C 1436 O O . CYS A 182 ? 0.4642 0.4977 0.4821 -0.0178 -0.0276 0.0014 203 CYS A O 1437 C CB . CYS A 182 ? 0.3863 0.4186 0.3969 -0.0258 -0.0248 -0.0026 203 CYS A CB 1438 S SG . CYS A 182 ? 0.5165 0.5542 0.5375 -0.0253 -0.0203 -0.0007 203 CYS A SG 1439 N N . ILE A 183 ? 0.4630 0.4860 0.4655 -0.0151 -0.0277 -0.0012 204 ILE A N 1440 C CA . ILE A 183 ? 0.4696 0.4889 0.4709 -0.0088 -0.0260 -0.0001 204 ILE A CA 1441 C C . ILE A 183 ? 0.4422 0.4619 0.4472 -0.0055 -0.0195 0.0005 204 ILE A C 1442 O O . ILE A 183 ? 0.4419 0.4602 0.4445 -0.0059 -0.0159 -0.0007 204 ILE A O 1443 C CB . ILE A 183 ? 0.3948 0.4064 0.3855 -0.0059 -0.0273 -0.0013 204 ILE A CB 1444 C CG1 . ILE A 183 ? 0.3240 0.3350 0.3113 -0.0086 -0.0339 -0.0015 204 ILE A CG1 1445 C CG2 . ILE A 183 ? 0.3842 0.3911 0.3729 0.0009 -0.0242 -0.0003 204 ILE A CG2 1446 C CD1 . ILE A 183 ? 0.3253 0.3385 0.3173 -0.0074 -0.0369 0.0003 204 ILE A CD1 1447 N N . GLN A 184 ? 0.4020 0.4238 0.4128 -0.0022 -0.0180 0.0024 205 GLN A N 1448 C CA . GLN A 184 ? 0.3659 0.3878 0.3800 0.0017 -0.0120 0.0032 205 GLN A CA 1449 C C . GLN A 184 ? 0.3879 0.4030 0.3959 0.0083 -0.0101 0.0033 205 GLN A C 1450 O O . GLN A 184 ? 0.4108 0.4235 0.4167 0.0109 -0.0131 0.0041 205 GLN A O 1451 C CB . GLN A 184 ? 0.3666 0.3954 0.3909 0.0017 -0.0112 0.0054 205 GLN A CB 1452 C CG . GLN A 184 ? 0.4047 0.4408 0.4359 -0.0048 -0.0133 0.0057 205 GLN A CG 1453 C CD . GLN A 184 ? 0.4772 0.5202 0.5184 -0.0046 -0.0124 0.0081 205 GLN A CD 1454 O OE1 . GLN A 184 ? 0.5120 0.5564 0.5571 -0.0016 -0.0076 0.0092 205 GLN A OE1 1455 N NE2 . GLN A 184 ? 0.4734 0.5211 0.5189 -0.0078 -0.0170 0.0091 205 GLN A NE2 1456 N N . MET A 185 ? 0.4082 0.4198 0.4131 0.0110 -0.0052 0.0025 206 MET A N 1457 C CA . MET A 185 ? 0.4078 0.4133 0.4080 0.0176 -0.0025 0.0028 206 MET A CA 1458 C C . MET A 185 ? 0.4582 0.4668 0.4657 0.0215 0.0004 0.0051 206 MET A C 1459 O O . MET A 185 ? 0.4932 0.4982 0.4985 0.0265 0.0002 0.0061 206 MET A O 1460 C CB . MET A 185 ? 0.3859 0.3874 0.3813 0.0190 0.0022 0.0013 206 MET A CB 1461 C CG . MET A 185 ? 0.4080 0.4014 0.3934 0.0227 0.0020 0.0003 206 MET A CG 1462 S SD . MET A 185 ? 0.6790 0.6689 0.6592 0.0231 0.0071 -0.0016 206 MET A SD 1463 C CE . MET A 185 ? 0.3911 0.3819 0.3771 0.0282 0.0137 -0.0002 206 MET A CE 1464 N N . TRP A 186 ? 0.4370 0.4520 0.4528 0.0192 0.0030 0.0059 207 TRP A N 1465 C CA . TRP A 186 ? 0.4630 0.4821 0.4865 0.0224 0.0060 0.0081 207 TRP A CA 1466 C C . TRP A 186 ? 0.4801 0.5068 0.5119 0.0190 0.0027 0.0098 207 TRP A C 1467 O O . TRP A 186 ? 0.4721 0.5042 0.5086 0.0134 0.0020 0.0096 207 TRP A O 1468 C CB . TRP A 186 ? 0.4296 0.4508 0.4568 0.0225 0.0119 0.0081 207 TRP A CB 1469 C CG . TRP A 186 ? 0.4299 0.4442 0.4505 0.0273 0.0161 0.0071 207 TRP A CG 1470 C CD1 . TRP A 186 ? 0.3859 0.3953 0.3992 0.0264 0.0172 0.0049 207 TRP A CD1 1471 C CD2 . TRP A 186 ? 0.4073 0.4191 0.4281 0.0339 0.0200 0.0083 207 TRP A CD2 1472 N NE1 . TRP A 186 ? 0.3998 0.4037 0.4088 0.0319 0.0214 0.0046 207 TRP A NE1 1473 C CE2 . TRP A 186 ? 0.4042 0.4093 0.4176 0.0365 0.0232 0.0067 207 TRP A CE2 1474 C CE3 . TRP A 186 ? 0.4077 0.4222 0.4341 0.0378 0.0211 0.0107 207 TRP A CE3 1475 C CZ2 . TRP A 186 ? 0.3812 0.3822 0.3927 0.0429 0.0274 0.0073 207 TRP A CZ2 1476 C CZ3 . TRP A 186 ? 0.4120 0.4224 0.4364 0.0442 0.0253 0.0114 207 TRP A CZ3 1477 C CH2 . TRP A 186 ? 0.4108 0.4144 0.4278 0.0466 0.0284 0.0096 207 TRP A CH2 1478 N N . PHE A 187 ? 0.4843 0.5114 0.5178 0.0223 0.0007 0.0116 208 PHE A N 1479 C CA . PHE A 187 ? 0.5152 0.5498 0.5569 0.0195 -0.0022 0.0134 208 PHE A CA 1480 C C . PHE A 187 ? 0.5613 0.5978 0.6074 0.0248 -0.0012 0.0160 208 PHE A C 1481 O O . PHE A 187 ? 0.5528 0.5833 0.5937 0.0305 -0.0005 0.0162 208 PHE A O 1482 C CB . PHE A 187 ? 0.5261 0.5603 0.5648 0.0154 -0.0086 0.0125 208 PHE A CB 1483 C CG . PHE A 187 ? 0.5324 0.5593 0.5628 0.0191 -0.0115 0.0120 208 PHE A CG 1484 C CD1 . PHE A 187 ? 0.4987 0.5185 0.5195 0.0191 -0.0123 0.0098 208 PHE A CD1 1485 C CD2 . PHE A 187 ? 0.5054 0.5325 0.5373 0.0226 -0.0136 0.0139 208 PHE A CD2 1486 C CE1 . PHE A 187 ? 0.4759 0.4889 0.4888 0.0223 -0.0150 0.0095 208 PHE A CE1 1487 C CE2 . PHE A 187 ? 0.4909 0.5108 0.5146 0.0260 -0.0163 0.0135 208 PHE A CE2 1488 C CZ . PHE A 187 ? 0.4768 0.4896 0.4910 0.0257 -0.0170 0.0113 208 PHE A CZ 1489 N N . ASP A 188 ? 0.6133 0.6581 0.6690 0.0229 -0.0010 0.0180 209 ASP A N 1490 C CA . ASP A 188 ? 0.6725 0.7206 0.7333 0.0267 -0.0014 0.0207 209 ASP A CA 1491 C C . ASP A 188 ? 0.6210 0.6687 0.6799 0.0250 -0.0077 0.0207 209 ASP A C 1492 O O . ASP A 188 ? 0.6123 0.6633 0.6728 0.0190 -0.0114 0.0199 209 ASP A O 1493 C CB . ASP A 188 ? 0.7487 0.8068 0.8207 0.0243 0.0007 0.0228 209 ASP A CB 1494 C CG . ASP A 188 ? 0.8647 0.9268 0.9424 0.0288 0.0010 0.0258 209 ASP A CG 1495 O OD1 . ASP A 188 ? 0.9187 0.9756 0.9922 0.0353 0.0025 0.0264 209 ASP A OD1 1496 O OD2 . ASP A 188 ? 0.9025 0.9731 0.9887 0.0259 -0.0001 0.0277 209 ASP A OD2 1497 N N . SER A 189 ? 0.5892 0.6324 0.6442 0.0303 -0.0090 0.0216 210 SER A N 1498 C CA . SER A 189 ? 0.5656 0.6080 0.6184 0.0288 -0.0150 0.0217 210 SER A CA 1499 C C . SER A 189 ? 0.5512 0.5988 0.6106 0.0315 -0.0161 0.0246 210 SER A C 1500 O O . SER A 189 ? 0.5480 0.5933 0.6044 0.0326 -0.0203 0.0250 210 SER A O 1501 C CB . SER A 189 ? 0.5547 0.5871 0.5961 0.0316 -0.0171 0.0200 210 SER A CB 1502 O OG . SER A 189 ? 0.5698 0.5971 0.6080 0.0390 -0.0143 0.0211 210 SER A OG 1503 N N . ALA A 190 ? 0.5652 0.6198 0.6333 0.0324 -0.0123 0.0266 211 ALA A N 1504 C CA . ALA A 190 ? 0.6025 0.6630 0.6775 0.0349 -0.0128 0.0296 211 ALA A CA 1505 C C . ALA A 190 ? 0.5760 0.6405 0.6536 0.0305 -0.0188 0.0300 211 ALA A C 1506 O O . ALA A 190 ? 0.5227 0.5870 0.6002 0.0335 -0.0213 0.0315 211 ALA A O 1507 C CB . ALA A 190 ? 0.5790 0.6480 0.6639 0.0349 -0.0083 0.0317 211 ALA A CB 1508 N N . GLN A 191 ? 0.5790 0.6468 0.6584 0.0234 -0.0210 0.0285 212 GLN A N 1509 C CA . GLN A 191 ? 0.6071 0.6790 0.6891 0.0185 -0.0266 0.0287 212 GLN A CA 1510 C C . GLN A 191 ? 0.6255 0.6910 0.6989 0.0152 -0.0310 0.0260 212 GLN A C 1511 O O . GLN A 191 ? 0.6622 0.7313 0.7376 0.0091 -0.0347 0.0252 212 GLN A O 1512 C CB . GLN A 191 ? 0.6257 0.7072 0.7171 0.0124 -0.0262 0.0295 212 GLN A CB 1513 C CG . GLN A 191 ? 0.6640 0.7527 0.7642 0.0149 -0.0218 0.0322 212 GLN A CG 1514 C CD . GLN A 191 ? 0.6731 0.7707 0.7818 0.0084 -0.0213 0.0328 212 GLN A CD 1515 O OE1 . GLN A 191 ? 0.6482 0.7458 0.7570 0.0058 -0.0182 0.0316 212 GLN A OE1 1516 N NE2 . GLN A 191 ? 0.6788 0.7838 0.7944 0.0056 -0.0245 0.0347 212 GLN A NE2 1517 N N . GLY A 192 ? 0.5549 0.6111 0.6187 0.0192 -0.0306 0.0245 213 GLY A N 1518 C CA . GLY A 192 ? 0.4940 0.5439 0.5492 0.0165 -0.0347 0.0221 213 GLY A CA 1519 C C . GLY A 192 ? 0.4889 0.5344 0.5387 0.0151 -0.0321 0.0196 213 GLY A C 1520 O O . GLY A 192 ? 0.4998 0.5492 0.5541 0.0130 -0.0284 0.0195 213 GLY A O 1521 N N . ASN A 193 ? 0.4793 0.5165 0.5191 0.0162 -0.0341 0.0178 214 ASN A N 1522 C CA . ASN A 193 ? 0.4553 0.4879 0.4887 0.0145 -0.0327 0.0154 214 ASN A CA 1523 C C . ASN A 193 ? 0.4357 0.4726 0.4712 0.0069 -0.0354 0.0140 214 ASN A C 1524 O O . ASN A 193 ? 0.4474 0.4846 0.4812 0.0034 -0.0407 0.0135 214 ASN A O 1525 C CB . ASN A 193 ? 0.4422 0.4653 0.4645 0.0173 -0.0348 0.0141 214 ASN A CB 1526 C CG . ASN A 193 ? 0.4390 0.4569 0.4545 0.0169 -0.0324 0.0119 214 ASN A CG 1527 O OD1 . ASN A 193 ? 0.3938 0.4149 0.4111 0.0123 -0.0316 0.0106 214 ASN A OD1 1528 N ND2 . ASN A 193 ? 0.4073 0.4171 0.4147 0.0220 -0.0310 0.0114 214 ASN A ND2 1529 N N . PRO A 194 ? 0.4172 0.4574 0.4563 0.0044 -0.0317 0.0134 215 PRO A N 1530 C CA . PRO A 194 ? 0.4099 0.4545 0.4514 -0.0027 -0.0333 0.0121 215 PRO A CA 1531 C C . PRO A 194 ? 0.4354 0.4746 0.4680 -0.0055 -0.0364 0.0097 215 PRO A C 1532 O O . PRO A 194 ? 0.4854 0.5278 0.5191 -0.0113 -0.0393 0.0087 215 PRO A O 1533 C CB . PRO A 194 ? 0.3795 0.4267 0.4251 -0.0029 -0.0275 0.0121 215 PRO A CB 1534 C CG . PRO A 194 ? 0.3838 0.4254 0.4255 0.0039 -0.0232 0.0124 215 PRO A CG 1535 C CD . PRO A 194 ? 0.3789 0.4189 0.4201 0.0084 -0.0254 0.0140 215 PRO A CD 1536 N N . ASN A 195 ? 0.4333 0.4680 0.4430 -0.0207 -0.0866 0.0027 216 ASN A N 1537 C CA . ASN A 195 ? 0.4498 0.4806 0.4575 -0.0289 -0.0781 0.0018 216 ASN A CA 1538 C C . ASN A 195 ? 0.4616 0.4727 0.4509 -0.0305 -0.0738 0.0061 216 ASN A C 1539 O O . ASN A 195 ? 0.4087 0.4149 0.3935 -0.0371 -0.0669 0.0059 216 ASN A O 1540 C CB . ASN A 195 ? 0.4017 0.4408 0.4257 -0.0334 -0.0742 -0.0016 216 ASN A CB 1541 C CG . ASN A 195 ? 0.4088 0.4678 0.4511 -0.0330 -0.0774 -0.0060 216 ASN A CG 1542 O OD1 . ASN A 195 ? 0.4705 0.5377 0.5136 -0.0314 -0.0807 -0.0071 216 ASN A OD1 1543 N ND2 . ASN A 195 ? 0.3663 0.4330 0.4237 -0.0344 -0.0763 -0.0086 216 ASN A ND2 1544 N N . GLU A 196 ? 0.4470 0.4469 0.4257 -0.0246 -0.0779 0.0098 217 GLU A N 1545 C CA . GLU A 196 ? 0.5127 0.4937 0.4725 -0.0254 -0.0746 0.0141 217 GLU A CA 1546 C C . GLU A 196 ? 0.5008 0.4792 0.4492 -0.0271 -0.0732 0.0150 217 GLU A C 1547 O O . GLU A 196 ? 0.4629 0.4318 0.4017 -0.0324 -0.0668 0.0162 217 GLU A O 1548 C CB . GLU A 196 ? 0.5524 0.5231 0.5029 -0.0178 -0.0803 0.0180 217 GLU A CB 1549 C CG . GLU A 196 ? 0.6040 0.5754 0.5640 -0.0155 -0.0818 0.0177 217 GLU A CG 1550 C CD . GLU A 196 ? 0.6477 0.6078 0.5971 -0.0081 -0.0871 0.0217 217 GLU A CD 1551 O OE1 . GLU A 196 ? 0.6474 0.5974 0.5810 -0.0054 -0.0888 0.0250 217 GLU A OE1 1552 O OE2 . GLU A 196 ? 0.6721 0.6336 0.6291 -0.0050 -0.0897 0.0215 217 GLU A OE2 1553 N N . GLU A 197 ? 0.4921 0.4791 0.4416 -0.0226 -0.0793 0.0143 218 GLU A N 1554 C CA . GLU A 197 ? 0.5135 0.4986 0.4522 -0.0234 -0.0790 0.0151 218 GLU A CA 1555 C C . GLU A 197 ? 0.4846 0.4763 0.4289 -0.0314 -0.0723 0.0121 218 GLU A C 1556 O O . GLU A 197 ? 0.5179 0.5022 0.4504 -0.0348 -0.0682 0.0134 218 GLU A O 1557 C CB . GLU A 197 ? 0.5559 0.5510 0.4972 -0.0171 -0.0871 0.0144 218 GLU A CB 1558 C CG . GLU A 197 ? 0.6489 0.6468 0.5838 -0.0186 -0.0868 0.0139 218 GLU A CG 1559 C CD . GLU A 197 ? 0.6762 0.6880 0.6185 -0.0134 -0.0944 0.0120 218 GLU A CD 1560 O OE1 . GLU A 197 ? 0.6499 0.6741 0.6079 -0.0112 -0.0980 0.0094 218 GLU A OE1 1561 O OE2 . GLU A 197 ? 0.6806 0.6908 0.6131 -0.0116 -0.0966 0.0131 218 GLU A OE2 1562 N N . VAL A 198 ? 0.4581 0.4639 0.4205 -0.0343 -0.0712 0.0079 219 VAL A N 1563 C CA . VAL A 198 ? 0.4865 0.5002 0.4563 -0.0418 -0.0651 0.0046 219 VAL A CA 1564 C C . VAL A 198 ? 0.4889 0.4898 0.4505 -0.0482 -0.0568 0.0062 219 VAL A C 1565 O O . VAL A 198 ? 0.4216 0.4196 0.3763 -0.0531 -0.0519 0.0062 219 VAL A O 1566 C CB . VAL A 198 ? 0.4822 0.5131 0.4736 -0.0433 -0.0657 -0.0001 219 VAL A CB 1567 C CG1 . VAL A 198 ? 0.4711 0.5107 0.4700 -0.0510 -0.0596 -0.0036 219 VAL A CG1 1568 C CG2 . VAL A 198 ? 0.4486 0.4922 0.4485 -0.0368 -0.0741 -0.0015 219 VAL A CG2 1569 N N . ALA A 199 ? 0.5377 0.5308 0.5000 -0.0481 -0.0552 0.0075 220 ALA A N 1570 C CA . ALA A 199 ? 0.5424 0.5226 0.4969 -0.0539 -0.0475 0.0092 220 ALA A CA 1571 C C . ALA A 199 ? 0.5464 0.5105 0.4800 -0.0533 -0.0461 0.0135 220 ALA A C 1572 O O . ALA A 199 ? 0.5329 0.4894 0.4589 -0.0591 -0.0394 0.0144 220 ALA A O 1573 C CB . ALA A 199 ? 0.5368 0.5115 0.4955 -0.0529 -0.0472 0.0101 220 ALA A CB 1574 N N . ARG A 200 ? 0.5734 0.5324 0.4977 -0.0462 -0.0525 0.0164 221 ARG A N 1575 C CA . ARG A 200 ? 0.5957 0.5397 0.4999 -0.0450 -0.0518 0.0205 221 ARG A CA 1576 C C . ARG A 200 ? 0.5793 0.5275 0.4797 -0.0488 -0.0491 0.0193 221 ARG A C 1577 O O . ARG A 200 ? 0.6080 0.5459 0.4970 -0.0533 -0.0432 0.0211 221 ARG A O 1578 C CB . ARG A 200 ? 0.5875 0.5269 0.4834 -0.0363 -0.0598 0.0235 221 ARG A CB 1579 C CG . ARG A 200 ? 0.6838 0.6061 0.5583 -0.0348 -0.0589 0.0281 221 ARG A CG 1580 C CD . ARG A 200 ? 0.7668 0.6822 0.6325 -0.0263 -0.0663 0.0314 221 ARG A CD 1581 N NE . ARG A 200 ? 0.7905 0.7056 0.6637 -0.0230 -0.0690 0.0316 221 ARG A NE 1582 C CZ . ARG A 200 ? 0.8148 0.7420 0.7005 -0.0180 -0.0754 0.0296 221 ARG A CZ 1583 N NH1 . ARG A 200 ? 0.7954 0.7357 0.6874 -0.0158 -0.0799 0.0273 221 ARG A NH1 1584 N NH2 . ARG A 200 ? 0.8343 0.7602 0.7260 -0.0152 -0.0775 0.0300 221 ARG A NH2 1585 N N . PHE A 201 ? 0.5178 0.4813 0.4282 -0.0471 -0.0533 0.0162 222 PHE A N 1586 C CA . PHE A 201 ? 0.4980 0.4666 0.4056 -0.0503 -0.0514 0.0148 222 PHE A CA 1587 C C . PHE A 201 ? 0.5024 0.4715 0.4130 -0.0591 -0.0426 0.0130 222 PHE A C 1588 O O . PHE A 201 ? 0.5191 0.4813 0.4182 -0.0625 -0.0384 0.0143 222 PHE A O 1589 C CB . PHE A 201 ? 0.5163 0.5027 0.4366 -0.0474 -0.0571 0.0113 222 PHE A CB 1590 C CG . PHE A 201 ? 0.5553 0.5478 0.4737 -0.0509 -0.0551 0.0096 222 PHE A CG 1591 C CD1 . PHE A 201 ? 0.5909 0.5782 0.4956 -0.0475 -0.0581 0.0119 222 PHE A CD1 1592 C CD2 . PHE A 201 ? 0.5691 0.5724 0.4994 -0.0575 -0.0501 0.0057 222 PHE A CD2 1593 C CE1 . PHE A 201 ? 0.6057 0.5986 0.5086 -0.0506 -0.0563 0.0102 222 PHE A CE1 1594 C CE2 . PHE A 201 ? 0.5750 0.5839 0.5036 -0.0607 -0.0481 0.0041 222 PHE A CE2 1595 C CZ . PHE A 201 ? 0.6003 0.6040 0.5152 -0.0572 -0.0513 0.0063 222 PHE A CZ 1596 N N . TYR A 202 ? 0.5071 0.4845 0.4330 -0.0628 -0.0399 0.0099 223 TYR A N 1597 C CA . TYR A 202 ? 0.5791 0.5588 0.5093 -0.0712 -0.0318 0.0077 223 TYR A CA 1598 C C . TYR A 202 ? 0.6395 0.6026 0.5583 -0.0754 -0.0250 0.0107 223 TYR A C 1599 O O . TYR A 202 ? 0.6534 0.6149 0.5708 -0.0822 -0.0181 0.0099 223 TYR A O 1600 C CB . TYR A 202 ? 0.5809 0.5765 0.5320 -0.0740 -0.0311 0.0030 223 TYR A CB 1601 C CG . TYR A 202 ? 0.5514 0.5641 0.5132 -0.0723 -0.0356 -0.0006 223 TYR A CG 1602 C CD1 . TYR A 202 ? 0.5354 0.5541 0.4969 -0.0766 -0.0325 -0.0025 223 TYR A CD1 1603 C CD2 . TYR A 202 ? 0.5264 0.5492 0.4986 -0.0663 -0.0430 -0.0019 223 TYR A CD2 1604 C CE1 . TYR A 202 ? 0.5025 0.5366 0.4737 -0.0750 -0.0366 -0.0056 223 TYR A CE1 1605 C CE2 . TYR A 202 ? 0.4962 0.5345 0.4781 -0.0647 -0.0471 -0.0050 223 TYR A CE2 1606 C CZ . TYR A 202 ? 0.4901 0.5339 0.4714 -0.0691 -0.0439 -0.0069 223 TYR A CZ 1607 O OH . TYR A 202 ? 0.4584 0.5177 0.4496 -0.0676 -0.0480 -0.0101 223 TYR A OH 1608 N N . ALA A 203 ? 0.6646 0.6153 0.5752 -0.0713 -0.0271 0.0143 224 ALA A N 1609 C CA . ALA A 203 ? 0.6707 0.6045 0.5690 -0.0747 -0.0212 0.0176 224 ALA A CA 1610 C C . ALA A 203 ? 0.6985 0.6208 0.5780 -0.0748 -0.0196 0.0209 224 ALA A C 1611 O O . ALA A 203 ? 0.7277 0.6400 0.5985 -0.0801 -0.0128 0.0225 224 ALA A O 1612 C CB . ALA A 203 ? 0.6542 0.5786 0.5499 -0.0701 -0.0240 0.0202 224 ALA A CB 1613 N N . ALA A 204 ? 0.6907 0.6146 0.5641 -0.0688 -0.0259 0.0220 225 ALA A N 1614 C CA . ALA A 204 ? 0.7421 0.6560 0.5979 -0.0683 -0.0252 0.0251 225 ALA A CA 1615 C C . ALA A 204 ? 0.7674 0.6888 0.6249 -0.0739 -0.0208 0.0226 225 ALA A C 1616 O O . ALA A 204 ? 0.7427 0.6549 0.5860 -0.0759 -0.0175 0.0249 225 ALA A O 1617 C CB . ALA A 204 ? 0.7507 0.6641 0.5997 -0.0600 -0.0335 0.0269 225 ALA A CB 1618 N N . ALA A 205 ? 0.7970 0.7351 0.6717 -0.0765 -0.0208 0.0179 226 ALA A N 1619 C CA . ALA A 205 ? 0.8646 0.8109 0.7424 -0.0821 -0.0166 0.0152 226 ALA A CA 1620 C C . ALA A 205 ? 0.9155 0.8534 0.7887 -0.0900 -0.0073 0.0158 226 ALA A C 1621 O O . ALA A 205 ? 0.9290 0.8661 0.7960 -0.0940 -0.0032 0.0157 226 ALA A O 1622 C CB . ALA A 205 ? 0.8436 0.8097 0.7415 -0.0829 -0.0188 0.0101 226 ALA A CB 1623 N N . MET A 206 ? 0.9547 0.8864 0.8309 -0.0921 -0.0040 0.0165 227 MET A N 1624 C CA . MET A 206 ? 1.0088 0.9306 0.8796 -0.0991 0.0046 0.0176 227 MET A CA 1625 C C . MET A 206 ? 1.0387 0.9706 0.9184 -0.1066 0.0105 0.0139 227 MET A C 1626 O O . MET A 206 ? 1.0722 0.9964 0.9453 -0.1125 0.0178 0.0150 227 MET A O 1627 C CB . MET A 206 ? 1.0350 0.9391 0.8844 -0.0984 0.0065 0.0225 227 MET A CB 1628 C CG . MET A 206 ? 1.0534 0.9422 0.8932 -0.0948 0.0053 0.0266 227 MET A CG 1629 S SD . MET A 206 ? 1.9428 1.8187 1.7620 -0.0875 0.0000 0.0315 227 MET A SD 1630 C CE . MET A 206 ? 0.8637 0.7421 0.6751 -0.0911 0.0031 0.0310 227 MET A CE # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 GLY 1 22 ? ? ? A . n A 1 2 SER 2 23 ? ? ? A . n A 1 3 ARG 3 24 ? ? ? A . n A 1 4 THR 4 25 25 THR THR A . n A 1 5 ASP 5 26 26 ASP ASP A . n A 1 6 LEU 6 27 27 LEU LEU A . n A 1 7 LEU 7 28 28 LEU LEU A . n A 1 8 ASN 8 29 29 ASN ASN A . n A 1 9 VAL 9 30 30 VAL VAL A . n A 1 10 CYS 10 31 31 CYS CYS A . n A 1 11 MET 11 32 32 MET MET A . n A 1 12 ASP 12 33 33 ASP ASP A . n A 1 13 ALA 13 34 34 ALA ALA A . n A 1 14 LYS 14 35 35 LYS LYS A . n A 1 15 HIS 15 36 36 HIS HIS A . n A 1 16 HIS 16 37 37 HIS HIS A . n A 1 17 LYS 17 38 38 LYS LYS A . n A 1 18 THR 18 39 39 THR THR A . n A 1 19 LYS 19 40 40 LYS ALA A . n A 1 20 PRO 20 41 41 PRO PRO A . n A 1 21 GLY 21 42 42 GLY GLY A . n A 1 22 PRO 22 43 43 PRO PRO A . n A 1 23 GLU 23 44 44 GLU GLU A . n A 1 24 ASP 24 45 45 ASP ASP A . n A 1 25 LYS 25 46 46 LYS LYS A . n A 1 26 LEU 26 47 47 LEU LEU A . n A 1 27 HIS 27 48 48 HIS HIS A . n A 1 28 ASP 28 49 49 ASP ASP A . n A 1 29 GLN 29 50 50 GLN GLN A . n A 1 30 CYS 30 51 51 CYS CYS A . n A 1 31 SER 31 52 52 SER SER A . n A 1 32 PRO 32 53 53 PRO PRO A . n A 1 33 TRP 33 54 54 TRP TRP A . n A 1 34 LYS 34 55 55 LYS LYS A . n A 1 35 LYS 35 56 56 LYS ALA A . n A 1 36 ASN 36 57 57 ASN ASN A . n A 1 37 ALA 37 58 58 ALA ALA A . n A 1 38 CYS 38 59 59 CYS CYS A . n A 1 39 CYS 39 60 60 CYS CYS A . n A 1 40 THR 40 61 61 THR THR A . n A 1 41 ALA 41 62 62 ALA ALA A . n A 1 42 SER 42 63 63 SER SER A . n A 1 43 THR 43 64 64 THR THR A . n A 1 44 SER 44 65 65 SER SER A . n A 1 45 GLN 45 66 66 GLN GLN A . n A 1 46 GLU 46 67 67 GLU GLU A . n A 1 47 LEU 47 68 68 LEU LEU A . n A 1 48 HIS 48 69 69 HIS HIS A . n A 1 49 LYS 49 70 70 LYS LYS A . n A 1 50 ASP 50 71 71 ASP ASP A . n A 1 51 THR 51 72 72 THR THR A . n A 1 52 SER 52 73 73 SER SER A . n A 1 53 ARG 53 74 74 ARG ALA A . n A 1 54 LEU 54 75 75 LEU LEU A . n A 1 55 TYR 55 76 76 TYR TYR A . n A 1 56 ASN 56 77 77 ASN ASN A . n A 1 57 PHE 57 78 78 PHE PHE A . n A 1 58 ASN 58 79 79 ASN ASN A . n A 1 59 TRP 59 80 80 TRP TRP A . n A 1 60 ASP 60 81 81 ASP ASP A . n A 1 61 HIS 61 82 82 HIS HIS A . n A 1 62 CYS 62 83 83 CYS CYS A . n A 1 63 GLY 63 84 84 GLY GLY A . n A 1 64 LYS 64 85 85 LYS LYS A . n A 1 65 MET 65 86 86 MET MET A . n A 1 66 GLU 66 87 87 GLU GLU A . n A 1 67 PRO 67 88 88 PRO PRO A . n A 1 68 ALA 68 89 89 ALA ALA A . n A 1 69 CYS 69 90 90 CYS CYS A . n A 1 70 LYS 70 91 91 LYS LYS A . n A 1 71 ARG 71 92 92 ARG ARG A . n A 1 72 HIS 72 93 93 HIS HIS A . n A 1 73 PHE 73 94 94 PHE PHE A . n A 1 74 ILE 74 95 95 ILE ILE A . n A 1 75 GLN 75 96 96 GLN GLN A . n A 1 76 ASP 76 97 97 ASP ASP A . n A 1 77 THR 77 98 98 THR THR A . n A 1 78 CYS 78 99 99 CYS CYS A . n A 1 79 LEU 79 100 100 LEU LEU A . n A 1 80 TYR 80 101 101 TYR TYR A . n A 1 81 GLU 81 102 102 GLU GLU A . n A 1 82 CYS 82 103 103 CYS CYS A . n A 1 83 SER 83 104 104 SER SER A . n A 1 84 PRO 84 105 105 PRO PRO A . n A 1 85 ASN 85 106 106 ASN ASN A . n A 1 86 LEU 86 107 107 LEU LEU A . n A 1 87 GLY 87 108 108 GLY GLY A . n A 1 88 PRO 88 109 109 PRO PRO A . n A 1 89 TRP 89 110 110 TRP TRP A . n A 1 90 ILE 90 111 111 ILE ILE A . n A 1 91 GLN 91 112 112 GLN GLN A . n A 1 92 GLN 92 113 113 GLN GLN A . n A 1 93 VAL 93 114 114 VAL VAL A . n A 1 94 ASN 94 115 115 ASN ASN A . n A 1 95 GLN 95 116 116 GLN GLN A . n A 1 96 SER 96 117 117 SER SER A . n A 1 97 TRP 97 118 118 TRP TRP A . n A 1 98 ARG 98 119 119 ARG ARG A . n A 1 99 LYS 99 120 120 LYS ALA A . n A 1 100 GLU 100 121 121 GLU GLU A . n A 1 101 ARG 101 122 122 ARG ARG A . n A 1 102 PHE 102 123 123 PHE PHE A . n A 1 103 LEU 103 124 124 LEU LEU A . n A 1 104 ASP 104 125 125 ASP ASP A . n A 1 105 VAL 105 126 126 VAL VAL A . n A 1 106 PRO 106 127 127 PRO PRO A . n A 1 107 LEU 107 128 128 LEU LEU A . n A 1 108 CYS 108 129 129 CYS CYS A . n A 1 109 LYS 109 130 130 LYS LYS A . n A 1 110 GLU 110 131 131 GLU GLU A . n A 1 111 ASP 111 132 132 ASP ASP A . n A 1 112 CYS 112 133 133 CYS CYS A . n A 1 113 GLN 113 134 134 GLN GLN A . n A 1 114 ARG 114 135 135 ARG ARG A . n A 1 115 TRP 115 136 136 TRP TRP A . n A 1 116 TRP 116 137 137 TRP TRP A . n A 1 117 GLU 117 138 138 GLU GLU A . n A 1 118 ASP 118 139 139 ASP ASP A . n A 1 119 CYS 119 140 140 CYS CYS A . n A 1 120 HIS 120 141 141 HIS HIS A . n A 1 121 THR 121 142 142 THR THR A . n A 1 122 SER 122 143 143 SER SER A . n A 1 123 HIS 123 144 144 HIS HIS A . n A 1 124 THR 124 145 145 THR THR A . n A 1 125 CYS 125 146 146 CYS CYS A . n A 1 126 LYS 126 147 147 LYS LYS A . n A 1 127 SER 127 148 148 SER SER A . n A 1 128 ASN 128 149 149 ASN ASN A . n A 1 129 TRP 129 150 150 TRP TRP A . n A 1 130 HIS 130 151 151 HIS HIS A . n A 1 131 ARG 131 152 152 ARG ARG A . n A 1 132 GLY 132 153 153 GLY GLY A . n A 1 133 TRP 133 154 154 TRP TRP A . n A 1 134 ASP 134 155 155 ASP ASP A . n A 1 135 TRP 135 156 156 TRP TRP A . n A 1 136 THR 136 157 157 THR THR A . n A 1 137 SER 137 158 158 SER SER A . n A 1 138 GLY 138 159 159 GLY GLY A . n A 1 139 VAL 139 160 160 VAL VAL A . n A 1 140 ASN 140 161 161 ASN ASN A . n A 1 141 LYS 141 162 162 LYS LYS A . n A 1 142 CYS 142 163 163 CYS CYS A . n A 1 143 PRO 143 164 164 PRO PRO A . n A 1 144 ALA 144 165 165 ALA ALA A . n A 1 145 GLY 145 166 166 GLY GLY A . n A 1 146 ALA 146 167 167 ALA ALA A . n A 1 147 LEU 147 168 168 LEU LEU A . n A 1 148 CYS 148 169 169 CYS CYS A . n A 1 149 ARG 149 170 170 ARG ARG A . n A 1 150 THR 150 171 171 THR THR A . n A 1 151 PHE 151 172 172 PHE PHE A . n A 1 152 GLU 152 173 173 GLU GLU A . n A 1 153 SER 153 174 174 SER SER A . n A 1 154 TYR 154 175 175 TYR TYR A . n A 1 155 PHE 155 176 176 PHE PHE A . n A 1 156 PRO 156 177 177 PRO PRO A . n A 1 157 THR 157 178 178 THR THR A . n A 1 158 PRO 158 179 179 PRO PRO A . n A 1 159 ALA 159 180 180 ALA ALA A . n A 1 160 ALA 160 181 181 ALA ALA A . n A 1 161 LEU 161 182 182 LEU LEU A . n A 1 162 CYS 162 183 183 CYS CYS A . n A 1 163 GLU 163 184 184 GLU GLU A . n A 1 164 GLY 164 185 185 GLY GLY A . n A 1 165 LEU 165 186 186 LEU LEU A . n A 1 166 TRP 166 187 187 TRP TRP A . n A 1 167 SER 167 188 188 SER SER A . n A 1 168 HIS 168 189 189 HIS HIS A . n A 1 169 SER 169 190 190 SER SER A . n A 1 170 TYR 170 191 191 TYR TYR A . n A 1 171 LYS 171 192 192 LYS LYS A . n A 1 172 VAL 172 193 193 VAL VAL A . n A 1 173 SER 173 194 194 SER SER A . n A 1 174 ASN 174 195 195 ASN ASN A . n A 1 175 TYR 175 196 196 TYR TYR A . n A 1 176 SER 176 197 197 SER SER A . n A 1 177 ARG 177 198 198 ARG ARG A . n A 1 178 GLY 178 199 199 GLY GLY A . n A 1 179 SER 179 200 200 SER SER A . n A 1 180 GLY 180 201 201 GLY GLY A . n A 1 181 ARG 181 202 202 ARG ARG A . n A 1 182 CYS 182 203 203 CYS CYS A . n A 1 183 ILE 183 204 204 ILE ILE A . n A 1 184 GLN 184 205 205 GLN GLN A . n A 1 185 MET 185 206 206 MET MET A . n A 1 186 TRP 186 207 207 TRP TRP A . n A 1 187 PHE 187 208 208 PHE PHE A . n A 1 188 ASP 188 209 209 ASP ASP A . n A 1 189 SER 189 210 210 SER SER A . n A 1 190 ALA 190 211 211 ALA ALA A . n A 1 191 GLN 191 212 212 GLN GLN A . n A 1 192 GLY 192 213 213 GLY GLY A . n A 1 193 ASN 193 214 214 ASN ASN A . n A 1 194 PRO 194 215 215 PRO PRO A . n A 1 195 ASN 195 216 216 ASN ASN A . n A 1 196 GLU 196 217 217 GLU GLU A . n A 1 197 GLU 197 218 218 GLU GLU A . n A 1 198 VAL 198 219 219 VAL VAL A . n A 1 199 ALA 199 220 220 ALA ALA A . n A 1 200 ARG 200 221 221 ARG ARG A . n A 1 201 PHE 201 222 222 PHE PHE A . n A 1 202 TYR 202 223 223 TYR TYR A . n A 1 203 ALA 203 224 224 ALA ALA A . n A 1 204 ALA 204 225 225 ALA ALA A . n A 1 205 ALA 205 226 226 ALA ALA A . n A 1 206 MET 206 227 227 MET MET A . n A 1 207 HIS 207 228 ? ? ? A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 FOL 1 301 241 FOL FOL A . C 3 K 1 302 251 K K A . D 4 CL 1 303 261 CL CL A . E 5 NAG 1 304 301 NAG NAG A . F 5 NAG 2 305 302 NAG NAG A . G 6 HOH 1 401 1 HOH HOH A . G 6 HOH 2 402 2 HOH HOH A . G 6 HOH 3 403 3 HOH HOH A . G 6 HOH 4 404 4 HOH HOH A . G 6 HOH 5 405 5 HOH HOH A . G 6 HOH 6 406 6 HOH HOH A . G 6 HOH 7 407 7 HOH HOH A . G 6 HOH 8 408 8 HOH HOH A . G 6 HOH 9 409 9 HOH HOH A . G 6 HOH 10 410 10 HOH HOH A . G 6 HOH 11 411 11 HOH HOH A . G 6 HOH 12 412 12 HOH HOH A . G 6 HOH 13 413 13 HOH HOH A . G 6 HOH 14 414 14 HOH HOH A . G 6 HOH 15 415 15 HOH HOH A . G 6 HOH 16 416 16 HOH HOH A . G 6 HOH 17 417 17 HOH HOH A . G 6 HOH 18 418 18 HOH HOH A . G 6 HOH 19 419 19 HOH HOH A . G 6 HOH 20 420 20 HOH HOH A . G 6 HOH 21 421 21 HOH HOH A . G 6 HOH 22 422 22 HOH HOH A . G 6 HOH 23 423 23 HOH HOH A . G 6 HOH 24 424 24 HOH HOH A . G 6 HOH 25 425 25 HOH HOH A . G 6 HOH 26 426 26 HOH HOH A . G 6 HOH 27 427 27 HOH HOH A . G 6 HOH 28 428 28 HOH HOH A . G 6 HOH 29 429 29 HOH HOH A . G 6 HOH 30 430 30 HOH HOH A . G 6 HOH 31 431 31 HOH HOH A . G 6 HOH 32 432 32 HOH HOH A . G 6 HOH 33 433 33 HOH HOH A . G 6 HOH 34 434 34 HOH HOH A . G 6 HOH 35 435 35 HOH HOH A . G 6 HOH 36 436 36 HOH HOH A . G 6 HOH 37 437 37 HOH HOH A . G 6 HOH 38 438 38 HOH HOH A . G 6 HOH 39 439 39 HOH HOH A . G 6 HOH 40 440 40 HOH HOH A . G 6 HOH 41 441 41 HOH HOH A . G 6 HOH 42 442 42 HOH HOH A . G 6 HOH 43 443 43 HOH HOH A . G 6 HOH 44 444 44 HOH HOH A . G 6 HOH 45 445 45 HOH HOH A . G 6 HOH 46 446 46 HOH HOH A . G 6 HOH 47 447 47 HOH HOH A . G 6 HOH 48 448 48 HOH HOH A . G 6 HOH 49 449 49 HOH HOH A . G 6 HOH 50 450 50 HOH HOH A . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 174 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 195 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G # _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 2013-08-07 2 'Structure model' 1 1 2013-10-02 3 'Structure model' 1 2 2017-11-15 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 3 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # _pdbx_audit_revision_item.ordinal 1 _pdbx_audit_revision_item.revision_ordinal 3 _pdbx_audit_revision_item.data_content_type 'Structure model' _pdbx_audit_revision_item.item '_software.name' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] 'X-RAY DIFFRACTION' 1 ? refined 41.9308 36.3545 56.9304 0.3547 0.3642 0.4636 0.0217 -0.0041 -0.0224 0.0366 0.1151 0.1336 -0.0393 0.0453 0.0479 0.2286 -0.0368 0.0010 -0.0836 -0.4880 0.1177 0.0541 0.4469 0.2654 'X-RAY DIFFRACTION' 2 ? refined 43.7326 47.5164 46.3371 0.3295 0.3184 0.3285 0.0124 -0.0414 -0.0769 0.3790 0.1209 0.3618 -0.1623 -0.2771 0.2080 -0.0613 -0.0653 -0.0000 0.0273 -0.0146 -0.0644 -0.1390 0.0157 0.1119 'X-RAY DIFFRACTION' 3 ? refined 31.7050 43.4400 58.6468 0.3567 0.3423 0.3882 -0.0579 -0.0461 -0.0314 0.0494 0.0169 0.0798 -0.0205 -0.0360 0.0419 -0.1515 -0.0122 -0.0001 0.0941 -0.1568 0.1508 0.1431 0.1223 -0.2220 'X-RAY DIFFRACTION' 4 ? refined 43.4105 60.3520 56.4207 0.3810 0.3299 0.3601 -0.0442 -0.0272 0.0019 0.0229 0.0522 0.0184 0.0135 0.0063 -0.0316 -0.0010 -0.2308 -0.0001 -0.1095 0.1542 -0.1569 0.3095 0.1200 0.5134 'X-RAY DIFFRACTION' 5 ? refined 34.7547 61.1609 44.3523 0.4155 0.3594 0.3804 -0.0299 -0.0745 -0.0381 0.0507 0.0248 0.0326 -0.0354 0.0257 -0.0263 -0.0067 -0.1738 0.0010 -0.1479 -0.0123 0.1553 0.3811 -0.6217 0.0335 'X-RAY DIFFRACTION' 6 ? refined 29.9940 58.1997 41.8110 0.3277 0.3060 0.3471 0.0474 -0.0863 -0.0350 0.1307 0.1973 0.1093 -0.1263 0.0549 -0.1519 0.0341 0.0047 -0.0001 0.1264 0.0821 0.0725 -0.4021 -0.1772 -0.1899 'X-RAY DIFFRACTION' 7 ? refined 42.8918 54.0297 60.8045 0.3234 0.3356 0.3188 -0.0028 -0.0107 -0.0023 -0.0134 0.0270 0.2392 0.0056 -0.0021 -0.0866 0.1300 -0.1020 0.0000 -0.0300 0.0013 -0.1783 -0.0698 0.0438 0.0917 'X-RAY DIFFRACTION' 8 ? refined 42.1055 45.9663 71.6501 0.4511 0.4227 0.3763 -0.0522 -0.0491 0.0129 0.0344 0.0426 0.0496 -0.0412 0.0095 -0.0048 -0.0311 -0.0085 0.0001 -0.1532 -0.1122 0.0146 0.3376 0.3285 0.0379 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 A 25 A 48 ;chain 'A' and (resseq 25:48) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 2 2 A 49 A 103 ;chain 'A' and (resseq 49:103) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 3 3 A 104 A 125 ;chain 'A' and (resseq 104:125) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 4 4 A 126 A 140 ;chain 'A' and (resseq 126:140) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 5 5 A 141 A 150 ;chain 'A' and (resseq 141:150) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 6 6 A 151 A 178 ;chain 'A' and (resseq 151:178) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 7 7 A 179 A 215 ;chain 'A' and (resseq 179:215) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 8 8 A 216 A 227 ;chain 'A' and (resseq 216:227) ; ? ? ? ? ? # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 SCALEPACK . ? program 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data scaling' http://www.hkl-xray.com/ ? ? 2 PHENIX 1.7.1_743 ? package 'Paul D. Adams' PDAdams@lbl.gov refinement http://www.phenix-online.org/ C++ ? 3 PDB_EXTRACT 3.11 'April 22, 2011' package PDB deposit@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 4 HKL-2000 . ? ? ? ? 'data collection' ? ? ? 5 DENZO . ? ? ? ? 'data reduction' ? ? ? 6 PHASER . ? ? ? ? phasing ? ? ? # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 O _pdbx_validate_close_contact.auth_asym_id_1 A _pdbx_validate_close_contact.auth_comp_id_1 HOH _pdbx_validate_close_contact.auth_seq_id_1 427 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 O _pdbx_validate_close_contact.auth_asym_id_2 A _pdbx_validate_close_contact.auth_comp_id_2 HOH _pdbx_validate_close_contact.auth_seq_id_2 448 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.19 # 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 49 ? ? 38.78 -108.26 2 1 ASN A 57 ? ? -162.12 104.04 3 1 ASP A 81 ? ? -90.13 47.26 4 1 ARG A 119 ? ? -176.68 132.43 5 1 TRP A 187 ? ? -102.64 46.35 6 1 SER A 188 ? ? 36.92 53.96 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A LYS 40 ? CG ? A LYS 19 CG 2 1 Y 1 A LYS 40 ? CD ? A LYS 19 CD 3 1 Y 1 A LYS 40 ? CE ? A LYS 19 CE 4 1 Y 1 A LYS 40 ? NZ ? A LYS 19 NZ 5 1 Y 1 A LYS 56 ? CG ? A LYS 35 CG 6 1 Y 1 A LYS 56 ? CD ? A LYS 35 CD 7 1 Y 1 A LYS 56 ? CE ? A LYS 35 CE 8 1 Y 1 A LYS 56 ? NZ ? A LYS 35 NZ 9 1 Y 1 A ARG 74 ? CG ? A ARG 53 CG 10 1 Y 1 A ARG 74 ? CD ? A ARG 53 CD 11 1 Y 1 A ARG 74 ? NE ? A ARG 53 NE 12 1 Y 1 A ARG 74 ? CZ ? A ARG 53 CZ 13 1 Y 1 A ARG 74 ? NH1 ? A ARG 53 NH1 14 1 Y 1 A ARG 74 ? NH2 ? A ARG 53 NH2 15 1 Y 1 A LYS 120 ? CG ? A LYS 99 CG 16 1 Y 1 A LYS 120 ? CD ? A LYS 99 CD 17 1 Y 1 A LYS 120 ? CE ? A LYS 99 CE 18 1 Y 1 A LYS 120 ? NZ ? A LYS 99 NZ # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A GLY 22 ? A GLY 1 2 1 Y 1 A SER 23 ? A SER 2 3 1 Y 1 A ARG 24 ? A ARG 3 4 1 Y 1 A HIS 228 ? A HIS 207 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'FOLIC ACID' FOL 3 'POTASSIUM ION' K 4 'CHLORIDE ION' CL 5 N-ACETYL-D-GLUCOSAMINE NAG 6 water HOH #