data_5A0C # _entry.id 5A0C # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.280 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5A0C PDBE EBI-63631 WWPDB D_1290063631 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.content_type _pdbx_database_related.details PDB 5A09 unspecified 'CRYSTAL STRUCTURE OF HUMAN NEUTROPHIL ELASTASE IN COMPLEX WITH A DIHYDROPYRIMIDONE INHIBITOR' PDB 5A0A unspecified 'CRYSTAL STRUCTURE OF HUMAN NEUTROPHIL ELASTASE IN COMPLEX WITH A DIHYDROPYRIMIDONE INHIBITOR' PDB 5A0B unspecified 'CRYSTAL STRUCTURE OF HUMAN NEUTROPHIL ELASTASE IN COMPLEX WITH A DIHYDROPYRIMIDONE INHIBITOR' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 5A0C _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2015-04-17 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'vonNussbaum, F.' 1 'Li, V.M.-J.' 2 'Allerheiligen, S.' 3 'Anlauf, S.' 4 'Baerfacker, L.' 5 'Bechem, M.' 6 'Delbeck, M.' 7 'Fitzgerald, M.F.' 8 'Gerisch, M.' 9 'Gielen-Haertwig, H.' 10 'Haning, H.' 11 'Karthaus, D.' 12 'Lang, D.' 13 'Lustig, K.' 14 'Meibom, D.' 15 'Mittendorf, J.' 16 'Rosentreter, U.' 17 'Schaefer, M.' 18 'Schaefer, S.' 19 'Schamberger, J.' 20 'Telan, L.A.' 21 'Tersteegen, A.' 22 # _citation.id primary _citation.title ;Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ; _citation.journal_abbrev ChemMedChem _citation.journal_volume 10 _citation.page_first 1163 _citation.page_last 1173 _citation.year 2015 _citation.journal_id_ASTM ? _citation.country DE _citation.journal_id_ISSN 1860-7187 _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 26083237 _citation.pdbx_database_id_DOI 10.1002/cmdc.201500131 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'von Nussbaum, F.' 1 primary 'Li, V.M.' 2 primary 'Allerheiligen, S.' 3 primary 'Anlauf, S.' 4 primary 'Barfacker, L.' 5 primary 'Bechem, M.' 6 primary 'Delbeck, M.' 7 primary 'Fitzgerald, M.F.' 8 primary 'Gerisch, M.' 9 primary 'Gielen-Haertwig, H.' 10 primary 'Haning, H.' 11 primary 'Karthaus, D.' 12 primary 'Lang, D.' 13 primary 'Lustig, K.' 14 primary 'Meibom, D.' 15 primary 'Mittendorf, J.' 16 primary 'Rosentreter, U.' 17 primary 'Schafer, M.' 18 primary 'Schafer, S.' 19 primary 'Schamberger, J.' 20 primary 'Telan, L.A.' 21 primary 'Tersteegen, A.' 22 # _cell.entry_id 5A0C _cell.length_a 71.517 _cell.length_b 71.517 _cell.length_c 97.400 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 6 _cell.pdbx_unique_axis ? # _symmetry.entry_id 5A0C _symmetry.space_group_name_H-M 'P 32' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 145 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat 'NEUTROPHIL ELASTASE' 23318.982 2 3.4.21.37 ? 'UNP RESIDUES 30-247' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 6 ? ? ? ? 3 non-polymer man ALPHA-L-FUCOSE 164.156 4 ? ? ? ? 4 non-polymer syn ;(6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile ; 460.429 2 ? ? ? ? 5 non-polymer syn '2-(N-MORPHOLINO)-ETHANESULFONIC ACID' 195.237 2 ? ? ? ? 6 non-polymer syn 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL 458.541 1 ? ? ? ? 7 water nat water 18.015 334 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name ;BONE MARROW SERINE PROTEASE, ELASTASE-2, HUMAN LEUKOCYTE EL ASTASE, HLE, MEDULLASIN, PMN ELASTASE, ELASTASE, HLE, MEDULIASIN, PMN ELASTASE ; # _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 ;IVGGRRARPHAWPFMVSLQLRGGHFCGATLIAPNFVMSAAHCVANVNVRAVRVVLGAHNLSRREPTRQVFAVQRIFENGY DPVNLLNDIVILQLNGSATINANVQVAQLPAQGRRLGNGVQCLAMGWGLLGRNRGIASVLQELNVTVVTSLCRRSNVCTL VRGRQAGVCFGDSGSPLVCNGLIHGIASFVRGGCASGLYPDAFAPVAQFVNWIDSIIQ ; _entity_poly.pdbx_seq_one_letter_code_can ;IVGGRRARPHAWPFMVSLQLRGGHFCGATLIAPNFVMSAAHCVANVNVRAVRVVLGAHNLSRREPTRQVFAVQRIFENGY DPVNLLNDIVILQLNGSATINANVQVAQLPAQGRRLGNGVQCLAMGWGLLGRNRGIASVLQELNVTVVTSLCRRSNVCTL VRGRQAGVCFGDSGSPLVCNGLIHGIASFVRGGCASGLYPDAFAPVAQFVNWIDSIIQ ; _entity_poly.pdbx_strand_id A,B _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ILE n 1 2 VAL n 1 3 GLY n 1 4 GLY n 1 5 ARG n 1 6 ARG n 1 7 ALA n 1 8 ARG n 1 9 PRO n 1 10 HIS n 1 11 ALA n 1 12 TRP n 1 13 PRO n 1 14 PHE n 1 15 MET n 1 16 VAL n 1 17 SER n 1 18 LEU n 1 19 GLN n 1 20 LEU n 1 21 ARG n 1 22 GLY n 1 23 GLY n 1 24 HIS n 1 25 PHE n 1 26 CYS n 1 27 GLY n 1 28 ALA n 1 29 THR n 1 30 LEU n 1 31 ILE n 1 32 ALA n 1 33 PRO n 1 34 ASN n 1 35 PHE n 1 36 VAL n 1 37 MET n 1 38 SER n 1 39 ALA n 1 40 ALA n 1 41 HIS n 1 42 CYS n 1 43 VAL n 1 44 ALA n 1 45 ASN n 1 46 VAL n 1 47 ASN n 1 48 VAL n 1 49 ARG n 1 50 ALA n 1 51 VAL n 1 52 ARG n 1 53 VAL n 1 54 VAL n 1 55 LEU n 1 56 GLY n 1 57 ALA n 1 58 HIS n 1 59 ASN n 1 60 LEU n 1 61 SER n 1 62 ARG n 1 63 ARG n 1 64 GLU n 1 65 PRO n 1 66 THR n 1 67 ARG n 1 68 GLN n 1 69 VAL n 1 70 PHE n 1 71 ALA n 1 72 VAL n 1 73 GLN n 1 74 ARG n 1 75 ILE n 1 76 PHE n 1 77 GLU n 1 78 ASN n 1 79 GLY n 1 80 TYR n 1 81 ASP n 1 82 PRO n 1 83 VAL n 1 84 ASN n 1 85 LEU n 1 86 LEU n 1 87 ASN n 1 88 ASP n 1 89 ILE n 1 90 VAL n 1 91 ILE n 1 92 LEU n 1 93 GLN n 1 94 LEU n 1 95 ASN n 1 96 GLY n 1 97 SER n 1 98 ALA n 1 99 THR n 1 100 ILE n 1 101 ASN n 1 102 ALA n 1 103 ASN n 1 104 VAL n 1 105 GLN n 1 106 VAL n 1 107 ALA n 1 108 GLN n 1 109 LEU n 1 110 PRO n 1 111 ALA n 1 112 GLN n 1 113 GLY n 1 114 ARG n 1 115 ARG n 1 116 LEU n 1 117 GLY n 1 118 ASN n 1 119 GLY n 1 120 VAL n 1 121 GLN n 1 122 CYS n 1 123 LEU n 1 124 ALA n 1 125 MET n 1 126 GLY n 1 127 TRP n 1 128 GLY n 1 129 LEU n 1 130 LEU n 1 131 GLY n 1 132 ARG n 1 133 ASN n 1 134 ARG n 1 135 GLY n 1 136 ILE n 1 137 ALA n 1 138 SER n 1 139 VAL n 1 140 LEU n 1 141 GLN n 1 142 GLU n 1 143 LEU n 1 144 ASN n 1 145 VAL n 1 146 THR n 1 147 VAL n 1 148 VAL n 1 149 THR n 1 150 SER n 1 151 LEU n 1 152 CYS n 1 153 ARG n 1 154 ARG n 1 155 SER n 1 156 ASN n 1 157 VAL n 1 158 CYS n 1 159 THR n 1 160 LEU n 1 161 VAL n 1 162 ARG n 1 163 GLY n 1 164 ARG n 1 165 GLN n 1 166 ALA n 1 167 GLY n 1 168 VAL n 1 169 CYS n 1 170 PHE n 1 171 GLY n 1 172 ASP n 1 173 SER n 1 174 GLY n 1 175 SER n 1 176 PRO n 1 177 LEU n 1 178 VAL n 1 179 CYS n 1 180 ASN n 1 181 GLY n 1 182 LEU n 1 183 ILE n 1 184 HIS n 1 185 GLY n 1 186 ILE n 1 187 ALA n 1 188 SER n 1 189 PHE n 1 190 VAL n 1 191 ARG n 1 192 GLY n 1 193 GLY n 1 194 CYS n 1 195 ALA n 1 196 SER n 1 197 GLY n 1 198 LEU n 1 199 TYR n 1 200 PRO n 1 201 ASP n 1 202 ALA n 1 203 PHE n 1 204 ALA n 1 205 PRO n 1 206 VAL n 1 207 ALA n 1 208 GLN n 1 209 PHE n 1 210 VAL n 1 211 ASN n 1 212 TRP n 1 213 ILE n 1 214 ASP n 1 215 SER n 1 216 ILE n 1 217 ILE n 1 218 GLN n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name HUMAN _entity_src_nat.pdbx_organism_scientific 'HOMO SAPIENS' _entity_src_nat.pdbx_ncbi_taxonomy_id 9606 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code ELNE_HUMAN _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession P08246 _struct_ref.pdbx_db_isoform ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 5A0C A 1 ? 218 ? P08246 30 ? 247 ? 16 252 2 1 5A0C B 1 ? 218 ? P08246 30 ? 247 ? 16 252 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 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 JJV non-polymer . ;(6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile ; ? 'C21 H15 F3 N4 O3 S' 460.429 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 MES non-polymer . '2-(N-MORPHOLINO)-ETHANESULFONIC ACID' ? 'C6 H13 N O4 S' 195.237 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 XPE non-polymer . 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL 'DECAETHYLENE GLYCOL' 'C20 H42 O11' 458.541 # _exptl.entry_id 5A0C _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number ? # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.4 _exptl_crystal.density_percent_sol 48.71 _exptl_crystal.description NONE # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH ? _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '0.1M MES AT PH6.5,1.2M SODIUMMALONATE' # _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 BRUKER _diffrn_detector.pdbx_collection_date ? _diffrn_detector.details MIRRORS # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.5418 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'BRUKER AXS MICROSTAR' _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength 1.5418 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 5A0C _reflns.observed_criterion_sigma_I 2.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 38.25 _reflns.d_resolution_high 2.10 _reflns.number_obs 32441 _reflns.number_all ? _reflns.percent_possible_obs 99.6 _reflns.pdbx_Rmerge_I_obs 0.08 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 18.21 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 6.95 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 2.10 _reflns_shell.d_res_low 2.20 _reflns_shell.percent_possible_all 97.2 _reflns_shell.Rmerge_I_obs 0.43 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 2.60 _reflns_shell.pdbx_redundancy 3.8 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5A0C _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 30767 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F . _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 38.29 _refine.ls_d_res_high 2.10 _refine.ls_percent_reflns_obs 99.74 _refine.ls_R_factor_obs 0.16553 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.16302 _refine.ls_R_factor_R_free 0.21279 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 1641 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.959 _refine.correlation_coeff_Fo_to_Fc_free 0.931 _refine.B_iso_mean 27.223 _refine.aniso_B[1][1] -0.33 _refine.aniso_B[2][2] -0.33 _refine.aniso_B[3][3] 1.06 _refine.aniso_B[1][2] -0.16 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.' _refine.pdbx_starting_model NONE _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.174 _refine.pdbx_overall_ESU_R_Free 0.161 _refine.overall_SU_ML 0.115 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 9.735 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3272 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 242 _refine_hist.number_atoms_solvent 334 _refine_hist.number_atoms_total 3848 _refine_hist.d_res_high 2.10 _refine_hist.d_res_low 38.29 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.027 0.019 ? 3586 'X-RAY DIFFRACTION' ? r_bond_other_d 0.002 0.020 ? 3470 'X-RAY DIFFRACTION' ? r_angle_refined_deg 2.643 2.021 ? 4879 'X-RAY DIFFRACTION' ? r_angle_other_deg 1.217 3.004 ? 7751 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 7.128 5.000 ? 425 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 34.706 22.297 ? 148 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 15.831 15.000 ? 510 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 14.930 15.000 ? 38 'X-RAY DIFFRACTION' ? r_chiral_restr 0.154 0.200 ? 576 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.015 0.021 ? 3969 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.002 0.020 ? 857 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 1.339 1.573 ? 1733 'X-RAY DIFFRACTION' ? r_mcbond_other 1.339 1.572 ? 1732 'X-RAY DIFFRACTION' ? r_mcangle_it 2.144 2.348 ? 2147 'X-RAY DIFFRACTION' ? r_mcangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_scbond_it 2.093 1.948 ? 1853 'X-RAY DIFFRACTION' ? r_scbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_long_range_B_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_long_range_B_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.100 _refine_ls_shell.d_res_low 2.155 _refine_ls_shell.number_reflns_R_work 2193 _refine_ls_shell.R_factor_R_work 0.212 _refine_ls_shell.percent_reflns_obs 97.28 _refine_ls_shell.R_factor_R_free 0.265 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 132 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? # _struct.entry_id 5A0C _struct.title 'Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor' _struct.pdbx_descriptor 'NEUTROPHIL ELASTASE (E.C.3.4.21.37)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 5A0C _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'TRYPSIN FAMILY FOLD, PROTEASE, HYDROLASE, HYDROLASE- INHIBITOR COMPLEX' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 3 ? E N N 2 ? F N N 2 ? G N N 3 ? H N N 4 ? I N N 5 ? J N N 6 ? K N N 2 ? L N N 3 ? M N N 2 ? N N N 2 ? O N N 3 ? P N N 4 ? Q N N 5 ? R N N 7 ? S N N 7 ? # _struct_biol.id 1 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 ALA A 39 ? ALA A 44 ? ALA A 55 ALA A 60 1 ? 6 HELX_P HELX_P2 2 ASN A 47 ? ALA A 50 ? ASN A 63 ALA A 66 5 ? 4 HELX_P HELX_P3 3 PHE A 209 ? GLN A 218 ? PHE A 243 GLN A 252 1 ? 10 HELX_P HELX_P4 4 ALA B 39 ? ALA B 44 ? ALA B 55 ALA B 60 1 ? 6 HELX_P HELX_P5 5 ASN B 47 ? ALA B 50 ? ASN B 63 ALA B 66 5 ? 4 HELX_P HELX_P6 6 PHE B 209 ? GLN B 218 ? PHE B 243 GLN B 252 1 ? 10 # _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 26 SG ? ? ? 1_555 A CYS 42 SG ? ? A CYS 42 A CYS 58 1_555 ? ? ? ? ? ? ? 2.102 ? disulf2 disulf ? ? A CYS 122 SG ? ? ? 1_555 A CYS 179 SG ? ? A CYS 140 A CYS 208 1_555 ? ? ? ? ? ? ? 2.057 ? disulf3 disulf ? ? A CYS 152 SG ? ? ? 1_555 A CYS 158 SG ? ? A CYS 172 A CYS 186 1_555 ? ? ? ? ? ? ? 2.046 ? disulf4 disulf ? ? A CYS 169 SG ? ? ? 1_555 A CYS 194 SG ? ? A CYS 198 A CYS 227 1_555 ? ? ? ? ? ? ? 2.072 ? disulf5 disulf ? ? B CYS 26 SG ? ? ? 1_555 B CYS 42 SG ? ? B CYS 42 B CYS 58 1_555 ? ? ? ? ? ? ? 2.066 ? disulf6 disulf ? ? B CYS 122 SG ? ? ? 1_555 B CYS 179 SG ? ? B CYS 140 B CYS 208 1_555 ? ? ? ? ? ? ? 2.016 ? disulf7 disulf ? ? B CYS 152 SG ? ? ? 1_555 B CYS 158 SG ? ? B CYS 172 B CYS 186 1_555 ? ? ? ? ? ? ? 2.038 ? disulf8 disulf ? ? B CYS 169 SG ? ? ? 1_555 B CYS 194 SG ? ? B CYS 198 B CYS 227 1_555 ? ? ? ? ? ? ? 2.091 ? covale1 covale ? ? A ASN 95 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 113 A NAG 411 1_555 ? ? ? ? ? ? ? 1.460 ? covale2 covale ? ? A ASN 144 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 163 A NAG 401 1_555 ? ? ? ? ? ? ? 1.401 ? covale3 covale ? ? C NAG . O6 ? ? ? 1_555 D FUC . C1 ? ? A NAG 401 A FUC 402 1_555 ? ? ? ? ? ? ? 1.438 ? covale4 covale ? ? C NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 401 A NAG 403 1_555 ? ? ? ? ? ? ? 1.413 ? covale5 covale ? ? F NAG . O6 ? ? ? 1_555 G FUC . C1 ? ? A NAG 411 A FUC 412 1_555 ? ? ? ? ? ? ? 1.447 ? covale6 covale ? ? B ASN 95 ND2 ? ? ? 1_555 N NAG . C1 ? ? B ASN 113 B NAG 411 1_555 ? ? ? ? ? ? ? 1.469 ? covale7 covale ? ? B ASN 144 ND2 ? ? ? 1_555 K NAG . C1 ? ? B ASN 163 B NAG 401 1_555 ? ? ? ? ? ? ? 1.405 ? covale8 covale ? ? K NAG . O4 ? ? ? 1_555 M NAG . C1 ? ? B NAG 401 B NAG 403 1_555 ? ? ? ? ? ? ? 1.441 ? covale9 covale ? ? K NAG . O6 ? ? ? 1_555 L FUC . C1 ? ? B NAG 401 B FUC 402 1_555 ? ? ? ? ? ? ? 1.463 ? covale10 covale ? ? N NAG . O6 ? ? ? 1_555 O FUC . C1 ? ? B NAG 411 B FUC 412 1_555 ? ? ? ? ? ? ? 1.448 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA ? 8 ? AB ? 7 ? BA ? 8 ? BB ? 7 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA 1 2 ? anti-parallel AA 2 3 ? anti-parallel AA 3 4 ? anti-parallel AA 4 5 ? anti-parallel AA 5 6 ? anti-parallel AA 6 7 ? anti-parallel AB 1 2 ? anti-parallel AB 2 3 ? anti-parallel AB 3 4 ? anti-parallel AB 4 5 ? anti-parallel AB 5 6 ? anti-parallel AB 6 7 ? anti-parallel BA 1 2 ? anti-parallel BA 2 3 ? anti-parallel BA 3 4 ? anti-parallel BA 4 5 ? anti-parallel BA 5 6 ? anti-parallel BA 6 7 ? anti-parallel BB 1 2 ? anti-parallel BB 2 3 ? anti-parallel BB 3 4 ? anti-parallel BB 4 5 ? anti-parallel BB 5 6 ? anti-parallel BB 6 7 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA 1 ARG A 5 ? ARG A 6 ? ARG A 20 ARG A 21 AA 2 GLN A 141 ? VAL A 148 ? GLN A 160 VAL A 167 AA 3 VAL A 157 ? LEU A 160 ? VAL A 185 LEU A 188 AA 4 ASP A 201 ? PRO A 205 ? ASP A 235 PRO A 239 AA 5 LEU A 182 ? PHE A 189 ? LEU A 215 PHE A 222 AA 6 PRO A 176 ? CYS A 179 ? PRO A 205 CYS A 208 AA 7 GLN A 121 ? GLY A 126 ? GLN A 139 GLY A 144 AA 8 ARG A 5 ? ARG A 6 ? ARG A 20 ARG A 21 AB 1 MET A 15 ? LEU A 20 ? MET A 30 LEU A 35 AB 2 GLY A 23 ? ALA A 32 ? GLY A 39 ALA A 48 AB 3 PHE A 35 ? SER A 38 ? PHE A 51 SER A 54 AB 4 VAL A 90 ? LEU A 94 ? VAL A 108 LEU A 112 AB 5 GLN A 68 ? GLU A 77 ? GLN A 85 GLU A 94 AB 6 ARG A 52 ? LEU A 55 ? ARG A 69 LEU A 72 AB 7 MET A 15 ? LEU A 20 ? MET A 30 LEU A 35 BA 1 ARG B 5 ? ARG B 6 ? ARG B 20 ARG B 21 BA 2 GLN B 141 ? VAL B 148 ? GLN B 160 VAL B 167 BA 3 VAL B 157 ? LEU B 160 ? VAL B 185 LEU B 188 BA 4 ASP B 201 ? PRO B 205 ? ASP B 235 PRO B 239 BA 5 LEU B 182 ? PHE B 189 ? LEU B 215 PHE B 222 BA 6 PRO B 176 ? CYS B 179 ? PRO B 205 CYS B 208 BA 7 GLN B 121 ? GLY B 126 ? GLN B 139 GLY B 144 BA 8 ARG B 5 ? ARG B 6 ? ARG B 20 ARG B 21 BB 1 MET B 15 ? LEU B 20 ? MET B 30 LEU B 35 BB 2 GLY B 23 ? ALA B 32 ? GLY B 39 ALA B 48 BB 3 PHE B 35 ? SER B 38 ? PHE B 51 SER B 54 BB 4 VAL B 90 ? LEU B 94 ? VAL B 108 LEU B 112 BB 5 GLN B 68 ? GLU B 77 ? GLN B 85 GLU B 94 BB 6 ARG B 52 ? LEU B 55 ? ARG B 69 LEU B 72 BB 7 MET B 15 ? LEU B 20 ? MET B 30 LEU B 35 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA 1 2 N ARG A 5 ? N ARG A 20 O GLU A 142 ? O GLU A 161 AA 2 3 N VAL A 148 ? N VAL A 167 O CYS A 158 ? O CYS A 186 AA 3 4 N THR A 159 ? N THR A 187 O ASP A 201 ? O ASP A 235 AA 4 5 N ALA A 204 ? N ALA A 238 O ILE A 186 ? O ILE A 219 AA 5 6 N HIS A 184 ? N HIS A 217 O LEU A 177 ? O LEU A 206 AA 6 7 N VAL A 178 ? N VAL A 207 O LEU A 123 ? O LEU A 141 AB 1 2 N LEU A 20 ? N LEU A 35 O GLY A 23 ? O GLY A 39 AB 2 3 N ILE A 31 ? N ILE A 47 O PHE A 35 ? O PHE A 51 AB 3 4 N SER A 38 ? N SER A 54 O VAL A 90 ? O VAL A 108 AB 4 5 O GLN A 93 ? O GLN A 111 N GLN A 73 ? N GLN A 90 AB 5 6 N PHE A 70 ? N PHE A 87 O VAL A 53 ? O VAL A 70 AB 6 7 N VAL A 54 ? N VAL A 71 O SER A 17 ? O SER A 32 BA 1 2 N ARG B 5 ? N ARG B 20 O GLU B 142 ? O GLU B 161 BA 2 3 N VAL B 148 ? N VAL B 167 O CYS B 158 ? O CYS B 186 BA 3 4 N THR B 159 ? N THR B 187 O ASP B 201 ? O ASP B 235 BA 4 5 N ALA B 204 ? N ALA B 238 O ILE B 186 ? O ILE B 219 BA 5 6 N HIS B 184 ? N HIS B 217 O LEU B 177 ? O LEU B 206 BA 6 7 N VAL B 178 ? N VAL B 207 O LEU B 123 ? O LEU B 141 BB 1 2 N LEU B 20 ? N LEU B 35 O GLY B 23 ? O GLY B 39 BB 2 3 N ILE B 31 ? N ILE B 47 O PHE B 35 ? O PHE B 51 BB 3 4 N SER B 38 ? N SER B 54 O VAL B 90 ? O VAL B 108 BB 4 5 O GLN B 93 ? O GLN B 111 N GLN B 73 ? N GLN B 90 BB 5 6 N PHE B 70 ? N PHE B 87 O VAL B 53 ? O VAL B 70 BB 6 7 N VAL B 54 ? N VAL B 71 O SER B 17 ? O SER B 32 # 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 ? ? ? ? 21 'BINDING SITE FOR RESIDUE JJV A 1001' AC2 Software ? ? ? ? 20 'BINDING SITE FOR RESIDUE JJV B 1001' AC3 Software ? ? ? ? 11 'BINDING SITE FOR RESIDUE MES A 1002' AC4 Software ? ? ? ? 13 'BINDING SITE FOR RESIDUE MES B 1002' AC5 Software ? ? ? ? 16 'BINDING SITE FOR RESIDUE XPE A 1003' AC6 Software ? ? ? ? 4 'Binding site for Poly-Saccharide residues NAG A 411 through FUC A 412 bound to ASN A 113' AC7 Software ? ? ? ? 10 'Binding site for Poly-Saccharide residues NAG A 401 through NAG A 403 bound to ASN A 163' AC8 Software ? ? ? ? 4 'Binding site for Poly-Saccharide residues NAG B 411 through FUC B 412 bound to ASN B 113' AC9 Software ? ? ? ? 12 'Binding site for Poly-Saccharide residues NAG B 401 through NAG B 403 bound to ASN B 163' # 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 21 HIS A 41 ? HIS A 57 . ? 1_555 ? 2 AC1 21 TYR A 80 ? TYR A 98 . ? 1_555 ? 3 AC1 21 PRO A 82 ? PRO A 100 . ? 1_555 ? 4 AC1 21 LEU A 85 ? LEU A 103 . ? 1_555 ? 5 AC1 21 ASP A 88 ? ASP A 106 . ? 1_555 ? 6 AC1 21 VAL A 168 ? VAL A 197 . ? 1_555 ? 7 AC1 21 CYS A 169 ? CYS A 198 . ? 1_555 ? 8 AC1 21 PHE A 170 ? PHE A 199 . ? 1_555 ? 9 AC1 21 ASP A 172 ? ASP A 201 . ? 1_555 ? 10 AC1 21 SER A 173 ? SER A 202 . ? 1_555 ? 11 AC1 21 ALA A 187 ? ALA A 220 . ? 1_555 ? 12 AC1 21 SER A 188 ? SER A 221 . ? 1_555 ? 13 AC1 21 PHE A 189 ? PHE A 222 . ? 1_555 ? 14 AC1 21 VAL A 190 ? VAL A 223 . ? 1_555 ? 15 AC1 21 MES I . ? MES A 1002 . ? 1_555 ? 16 AC1 21 XPE J . ? XPE A 1003 . ? 1_555 ? 17 AC1 21 HOH R . ? HOH A 2035 . ? 1_555 ? 18 AC1 21 HOH R . ? HOH A 2069 . ? 1_555 ? 19 AC1 21 HOH R . ? HOH A 2169 . ? 1_555 ? 20 AC1 21 LEU B 129 ? LEU B 147 . ? 1_555 ? 21 AC1 21 PHE B 170 ? PHE B 199 . ? 1_555 ? 22 AC2 20 LEU A 129 ? LEU A 147 . ? 1_555 ? 23 AC2 20 PHE A 170 ? PHE A 199 . ? 1_555 ? 24 AC2 20 XPE J . ? XPE A 1003 . ? 1_555 ? 25 AC2 20 HIS B 41 ? HIS B 57 . ? 1_555 ? 26 AC2 20 TYR B 80 ? TYR B 98 . ? 1_555 ? 27 AC2 20 PRO B 82 ? PRO B 100 . ? 1_555 ? 28 AC2 20 LEU B 85 ? LEU B 103 . ? 1_555 ? 29 AC2 20 ASP B 88 ? ASP B 106 . ? 1_555 ? 30 AC2 20 VAL B 168 ? VAL B 197 . ? 1_555 ? 31 AC2 20 CYS B 169 ? CYS B 198 . ? 1_555 ? 32 AC2 20 PHE B 170 ? PHE B 199 . ? 1_555 ? 33 AC2 20 ASP B 172 ? ASP B 201 . ? 1_555 ? 34 AC2 20 SER B 173 ? SER B 202 . ? 1_555 ? 35 AC2 20 ALA B 187 ? ALA B 220 . ? 1_555 ? 36 AC2 20 SER B 188 ? SER B 221 . ? 1_555 ? 37 AC2 20 PHE B 189 ? PHE B 222 . ? 1_555 ? 38 AC2 20 VAL B 190 ? VAL B 223 . ? 1_555 ? 39 AC2 20 MES Q . ? MES B 1002 . ? 1_555 ? 40 AC2 20 HOH S . ? HOH B 2029 . ? 1_555 ? 41 AC2 20 HOH S . ? HOH B 2055 . ? 1_555 ? 42 AC3 11 LEU A 85 ? LEU A 103 . ? 1_555 ? 43 AC3 11 ARG A 153 ? ARG A 181 . ? 1_555 ? 44 AC3 11 PHE A 189 ? PHE A 222 . ? 1_555 ? 45 AC3 11 VAL A 190 ? VAL A 223 . ? 1_555 ? 46 AC3 11 ARG A 191 ? ARG A 224 . ? 1_555 ? 47 AC3 11 JJV H . ? JJV A 1001 . ? 1_555 ? 48 AC3 11 HOH R . ? HOH A 3001 . ? 1_555 ? 49 AC3 11 ARG B 132 ? ARG B 151 . ? 1_555 ? 50 AC3 11 PHE B 170 ? PHE B 199 . ? 1_555 ? 51 AC3 11 HOH S . ? HOH B 2104 . ? 1_555 ? 52 AC3 11 HOH S . ? HOH B 2133 . ? 1_555 ? 53 AC4 13 LEU A 129 ? LEU A 147 . ? 1_555 ? 54 AC4 13 ARG A 132 ? ARG A 150 . ? 1_555 ? 55 AC4 13 PHE A 170 ? PHE A 199 . ? 1_555 ? 56 AC4 13 HOH R . ? HOH A 2114 . ? 1_555 ? 57 AC4 13 HOH R . ? HOH A 2144 . ? 1_555 ? 58 AC4 13 HOH R . ? HOH A 3002 . ? 1_555 ? 59 AC4 13 LEU B 85 ? LEU B 103 . ? 1_555 ? 60 AC4 13 ARG B 153 ? ARG B 181 . ? 1_555 ? 61 AC4 13 PHE B 189 ? PHE B 222 . ? 1_555 ? 62 AC4 13 VAL B 190 ? VAL B 223 . ? 1_555 ? 63 AC4 13 ARG B 191 ? ARG B 224 . ? 1_555 ? 64 AC4 13 JJV P . ? JJV B 1001 . ? 1_555 ? 65 AC4 13 HOH S . ? HOH B 3003 . ? 1_555 ? 66 AC5 16 PHE A 25 ? PHE A 41 . ? 1_555 ? 67 AC5 16 HIS A 41 ? HIS A 57 . ? 1_555 ? 68 AC5 16 CYS A 42 ? CYS A 58 . ? 1_555 ? 69 AC5 16 ILE A 136 ? ILE A 155 . ? 1_555 ? 70 AC5 16 JJV H . ? JJV A 1001 . ? 1_555 ? 71 AC5 16 HOH R . ? HOH A 2036 . ? 1_555 ? 72 AC5 16 HOH R . ? HOH A 2039 . ? 1_555 ? 73 AC5 16 HOH R . ? HOH A 2145 . ? 1_555 ? 74 AC5 16 PHE B 25 ? PHE B 41 . ? 1_555 ? 75 AC5 16 HIS B 41 ? HIS B 57 . ? 1_555 ? 76 AC5 16 CYS B 42 ? CYS B 58 . ? 1_555 ? 77 AC5 16 ALA B 44 ? ALA B 60 . ? 1_555 ? 78 AC5 16 GLY B 171 ? GLY B 200 . ? 1_555 ? 79 AC5 16 JJV P . ? JJV B 1001 . ? 1_555 ? 80 AC5 16 HOH S . ? HOH B 2020 . ? 1_555 ? 81 AC5 16 HOH S . ? HOH B 2134 . ? 1_555 ? 82 AC6 4 ARG A 49 ? ARG A 65 . ? 1_555 ? 83 AC6 4 VAL A 51 ? VAL A 68 . ? 1_555 ? 84 AC6 4 ARG A 52 ? ARG A 69 . ? 1_555 ? 85 AC6 4 ASN A 95 ? ASN A 113 . ? 1_555 ? 86 AC7 10 TRP A 12 ? TRP A 27 . ? 1_555 ? 87 AC7 10 GLN A 121 ? GLN A 139 . ? 1_555 ? 88 AC7 10 CYS A 122 ? CYS A 140 . ? 1_555 ? 89 AC7 10 ASN A 144 ? ASN A 163 . ? 1_555 ? 90 AC7 10 VAL A 178 ? VAL A 207 . ? 1_555 ? 91 AC7 10 CYS A 179 ? CYS A 208 . ? 1_555 ? 92 AC7 10 ASN A 180 ? ASN A 209 . ? 1_555 ? 93 AC7 10 GLY A 181 ? GLY A 214 . ? 1_555 ? 94 AC7 10 HOH R . ? HOH A 2167 . ? 1_555 ? 95 AC7 10 HOH R . ? HOH A 2168 . ? 1_555 ? 96 AC8 4 ALA B 50 ? ALA B 66 . ? 1_555 ? 97 AC8 4 VAL B 51 ? VAL B 68 . ? 1_555 ? 98 AC8 4 ARG B 52 ? ARG B 69 . ? 1_555 ? 99 AC8 4 ASN B 95 ? ASN B 113 . ? 1_555 ? 100 AC9 12 TRP B 12 ? TRP B 27 . ? 1_555 ? 101 AC9 12 GLN B 121 ? GLN B 139 . ? 1_555 ? 102 AC9 12 CYS B 122 ? CYS B 140 . ? 1_555 ? 103 AC9 12 ASN B 144 ? ASN B 163 . ? 1_555 ? 104 AC9 12 VAL B 178 ? VAL B 207 . ? 1_555 ? 105 AC9 12 CYS B 179 ? CYS B 208 . ? 1_555 ? 106 AC9 12 ASN B 180 ? ASN B 209 . ? 1_555 ? 107 AC9 12 GLY B 181 ? GLY B 214 . ? 1_555 ? 108 AC9 12 HOH S . ? HOH B 2096 . ? 1_555 ? 109 AC9 12 HOH S . ? HOH B 2137 . ? 1_555 ? 110 AC9 12 HOH S . ? HOH B 2157 . ? 1_555 ? 111 AC9 12 HOH S . ? HOH B 2158 . ? 1_555 ? # _database_PDB_matrix.entry_id 5A0C _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 5A0C _atom_sites.fract_transf_matrix[1][1] 0.013983 _atom_sites.fract_transf_matrix[1][2] 0.008073 _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] 0.016146 _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] 0.010267 _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 F 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 . ILE A 1 1 ? 8.152 8.106 6.876 1.00 19.63 ? 16 ILE A N 1 ATOM 2 C CA . ILE A 1 1 ? 7.654 9.210 5.990 1.00 19.44 ? 16 ILE A CA 1 ATOM 3 C C . ILE A 1 1 ? 6.433 9.783 6.688 1.00 19.96 ? 16 ILE A C 1 ATOM 4 O O . ILE A 1 1 ? 5.487 9.050 6.910 1.00 21.72 ? 16 ILE A O 1 ATOM 5 C CB . ILE A 1 1 ? 7.269 8.694 4.587 1.00 19.33 ? 16 ILE A CB 1 ATOM 6 C CG1 . ILE A 1 1 ? 8.458 8.147 3.823 1.00 19.55 ? 16 ILE A CG1 1 ATOM 7 C CG2 . ILE A 1 1 ? 6.652 9.795 3.731 1.00 19.87 ? 16 ILE A CG2 1 ATOM 8 C CD1 . ILE A 1 1 ? 9.479 9.174 3.357 1.00 19.25 ? 16 ILE A CD1 1 ATOM 9 N N . VAL A 1 2 ? 6.422 11.087 6.972 1.00 19.64 ? 17 VAL A N 1 ATOM 10 C CA . VAL A 1 2 ? 5.323 11.795 7.555 1.00 19.89 ? 17 VAL A CA 1 ATOM 11 C C . VAL A 1 2 ? 4.587 12.536 6.413 1.00 20.93 ? 17 VAL A C 1 ATOM 12 O O . VAL A 1 2 ? 5.230 13.198 5.591 1.00 21.74 ? 17 VAL A O 1 ATOM 13 C CB . VAL A 1 2 ? 5.850 12.828 8.555 1.00 19.70 ? 17 VAL A CB 1 ATOM 14 C CG1 . VAL A 1 2 ? 4.697 13.698 9.124 1.00 20.16 ? 17 VAL A CG1 1 ATOM 15 C CG2 . VAL A 1 2 ? 6.709 12.117 9.646 1.00 18.82 ? 17 VAL A CG2 1 ATOM 16 N N . GLY A 1 3 ? 3.286 12.349 6.355 1.00 20.25 ? 18 GLY A N 1 ATOM 17 C CA . GLY A 1 3 ? 2.391 13.017 5.464 1.00 20.74 ? 18 GLY A CA 1 ATOM 18 C C . GLY A 1 3 ? 2.448 12.512 4.025 1.00 20.80 ? 18 GLY A C 1 ATOM 19 O O . GLY A 1 3 ? 2.069 13.246 3.131 1.00 20.03 ? 18 GLY A O 1 ATOM 20 N N . GLY A 1 4 ? 2.865 11.259 3.873 1.00 20.31 ? 19 GLY A N 1 ATOM 21 C CA . GLY A 1 4 ? 3.010 10.609 2.577 1.00 21.31 ? 19 GLY A CA 1 ATOM 22 C C . GLY A 1 4 ? 1.735 9.803 2.179 1.00 21.75 ? 19 GLY A C 1 ATOM 23 O O . GLY A 1 4 ? 0.627 10.129 2.615 1.00 22.51 ? 19 GLY A O 1 ATOM 24 N N . ARG A 1 5 ? 1.942 8.723 1.396 1.00 22.20 ? 20 ARG A N 1 ATOM 25 C CA . ARG A 1 5 ? 0.854 7.766 0.995 1.00 23.00 ? 20 ARG A CA 1 ATOM 26 C C . ARG A 1 5 ? 1.588 6.461 0.682 1.00 23.56 ? 20 ARG A C 1 ATOM 27 O O . ARG A 1 5 ? 2.829 6.469 0.515 1.00 24.11 ? 20 ARG A O 1 ATOM 28 C CB . ARG A 1 5 ? 0.167 8.255 -0.232 1.00 22.92 ? 20 ARG A CB 1 ATOM 29 C CG . ARG A 1 5 ? 1.128 8.486 -1.401 1.00 22.77 ? 20 ARG A CG 1 ATOM 30 C CD . ARG A 1 5 ? 0.453 8.796 -2.729 1.00 23.18 ? 20 ARG A CD 1 ATOM 31 N NE . ARG A 1 5 ? 1.516 9.069 -3.691 1.00 23.36 ? 20 ARG A NE 1 ATOM 32 C CZ . ARG A 1 5 ? 2.127 10.250 -3.793 1.00 24.24 ? 20 ARG A CZ 1 ATOM 33 N NH1 . ARG A 1 5 ? 1.700 11.282 -3.071 1.00 24.02 ? 20 ARG A NH1 1 ATOM 34 N NH2 . ARG A 1 5 ? 3.138 10.434 -4.631 1.00 24.12 ? 20 ARG A NH2 1 ATOM 35 N N . ARG A 1 6 ? 0.876 5.390 0.584 1.00 24.24 ? 21 ARG A N 1 ATOM 36 C CA . ARG A 1 6 ? 1.420 4.158 0.121 1.00 26.59 ? 21 ARG A CA 1 ATOM 37 C C . ARG A 1 6 ? 1.904 4.216 -1.269 1.00 25.98 ? 21 ARG A C 1 ATOM 38 O O . ARG A 1 6 ? 1.196 4.697 -2.125 1.00 26.16 ? 21 ARG A O 1 ATOM 39 C CB . ARG A 1 6 ? 0.360 3.086 0.161 1.00 31.00 ? 21 ARG A CB 1 ATOM 40 C CG . ARG A 1 6 ? 0.108 2.795 1.619 1.00 35.19 ? 21 ARG A CG 1 ATOM 41 C CD . ARG A 1 6 ? -1.284 2.483 1.948 1.00 42.16 ? 21 ARG A CD 1 ATOM 42 N NE . ARG A 1 6 ? -1.566 1.090 1.731 1.00 49.02 ? 21 ARG A NE 1 ATOM 43 C CZ . ARG A 1 6 ? -1.954 0.204 2.658 1.00 54.18 ? 21 ARG A CZ 1 ATOM 44 N NH1 . ARG A 1 6 ? -2.046 0.553 3.924 1.00 53.93 ? 21 ARG A NH1 1 ATOM 45 N NH2 . ARG A 1 6 ? -2.256 -1.069 2.288 1.00 56.25 ? 21 ARG A NH2 1 ATOM 46 N N . ALA A 1 7 ? 3.099 3.713 -1.497 1.00 24.86 ? 22 ALA A N 1 ATOM 47 C CA . ALA A 1 7 ? 3.522 3.386 -2.867 1.00 25.98 ? 22 ALA A CA 1 ATOM 48 C C . ALA A 1 7 ? 2.628 2.228 -3.379 1.00 27.88 ? 22 ALA A C 1 ATOM 49 O O . ALA A 1 7 ? 2.047 1.450 -2.597 1.00 27.53 ? 22 ALA A O 1 ATOM 50 C CB . ALA A 1 7 ? 4.979 2.975 -2.863 1.00 25.00 ? 22 ALA A CB 1 ATOM 51 N N . ARG A 1 8 ? 2.462 2.144 -4.691 1.00 30.27 ? 23 ARG A N 1 ATOM 52 C CA . ARG A 1 8 ? 1.765 1.029 -5.292 1.00 31.57 ? 23 ARG A CA 1 ATOM 53 C C . ARG A 1 8 ? 2.766 -0.108 -5.110 1.00 29.96 ? 23 ARG A C 1 ATOM 54 O O . ARG A 1 8 ? 3.965 0.137 -5.071 1.00 27.95 ? 23 ARG A O 1 ATOM 55 C CB . ARG A 1 8 ? 1.560 1.294 -6.769 1.00 36.00 ? 23 ARG A CB 1 ATOM 56 C CG . ARG A 1 8 ? 0.200 1.786 -7.260 1.00 41.36 ? 23 ARG A CG 1 ATOM 57 C CD . ARG A 1 8 ? 0.052 1.481 -8.762 1.00 46.50 ? 23 ARG A CD 1 ATOM 58 N NE . ARG A 1 8 ? 1.241 2.098 -9.425 1.00 55.52 ? 23 ARG A NE 1 ATOM 59 C CZ . ARG A 1 8 ? 2.476 1.541 -9.712 1.00 60.00 ? 23 ARG A CZ 1 ATOM 60 N NH1 . ARG A 1 8 ? 2.795 0.229 -9.516 1.00 64.42 ? 23 ARG A NH1 1 ATOM 61 N NH2 . ARG A 1 8 ? 3.445 2.318 -10.227 1.00 56.41 ? 23 ARG A NH2 1 ATOM 62 N N . PRO A 1 9 ? 2.312 -1.330 -4.971 1.00 29.17 ? 24 PRO A N 1 ATOM 63 C CA . PRO A 1 9 ? 3.336 -2.339 -4.727 1.00 28.94 ? 24 PRO A CA 1 ATOM 64 C C . PRO A 1 9 ? 4.384 -2.378 -5.788 1.00 28.48 ? 24 PRO A C 1 ATOM 65 O O . PRO A 1 9 ? 4.100 -2.315 -6.963 1.00 27.26 ? 24 PRO A O 1 ATOM 66 C CB . PRO A 1 9 ? 2.553 -3.676 -4.659 1.00 29.78 ? 24 PRO A CB 1 ATOM 67 C CG . PRO A 1 9 ? 1.121 -3.292 -4.400 1.00 30.68 ? 24 PRO A CG 1 ATOM 68 C CD . PRO A 1 9 ? 0.936 -1.863 -4.857 1.00 30.56 ? 24 PRO A CD 1 ATOM 69 N N . HIS A 1 10 ? 5.639 -2.473 -5.369 1.00 27.46 ? 25 HIS A N 1 ATOM 70 C CA . HIS A 1 10 ? 6.706 -2.644 -6.269 1.00 27.68 ? 25 HIS A CA 1 ATOM 71 C C . HIS A 1 10 ? 6.869 -1.513 -7.280 1.00 27.28 ? 25 HIS A C 1 ATOM 72 O O . HIS A 1 10 ? 7.624 -1.719 -8.241 1.00 26.94 ? 25 HIS A O 1 ATOM 73 C CB . HIS A 1 10 ? 6.625 -4.045 -6.982 1.00 29.94 ? 25 HIS A CB 1 ATOM 74 C CG . HIS A 1 10 ? 6.424 -5.155 -6.000 1.00 31.98 ? 25 HIS A CG 1 ATOM 75 N ND1 . HIS A 1 10 ? 7.330 -5.422 -4.996 1.00 32.10 ? 25 HIS A ND1 1 ATOM 76 C CD2 . HIS A 1 10 ? 5.372 -5.992 -5.794 1.00 33.64 ? 25 HIS A CD2 1 ATOM 77 C CE1 . HIS A 1 10 ? 6.846 -6.362 -4.208 1.00 33.49 ? 25 HIS A CE1 1 ATOM 78 N NE2 . HIS A 1 10 ? 5.664 -6.727 -4.672 1.00 34.84 ? 25 HIS A NE2 1 ATOM 79 N N . ALA A 1 11 ? 6.338 -0.318 -7.023 1.00 25.47 ? 26 ALA A N 1 ATOM 80 C CA . ALA A 1 11 ? 6.590 0.830 -7.903 1.00 25.07 ? 26 ALA A CA 1 ATOM 81 C C . ALA A 1 11 ? 8.030 1.263 -7.995 1.00 24.78 ? 26 ALA A C 1 ATOM 82 O O . ALA A 1 11 ? 8.446 1.773 -9.023 1.00 24.28 ? 26 ALA A O 1 ATOM 83 C CB . ALA A 1 11 ? 5.791 2.009 -7.494 1.00 25.36 ? 26 ALA A CB 1 ATOM 84 N N . TRP A 1 12 ? 8.810 1.034 -6.932 1.00 23.72 ? 27 TRP A N 1 ATOM 85 C CA . TRP A 1 12 ? 10.190 1.509 -6.876 1.00 23.45 ? 27 TRP A CA 1 ATOM 86 C C . TRP A 1 12 ? 11.103 0.325 -6.620 1.00 23.74 ? 27 TRP A C 1 ATOM 87 O O . TRP A 1 12 ? 11.575 0.147 -5.528 1.00 22.28 ? 27 TRP A O 1 ATOM 88 C CB . TRP A 1 12 ? 10.282 2.575 -5.761 1.00 22.65 ? 27 TRP A CB 1 ATOM 89 C CG . TRP A 1 12 ? 9.178 3.525 -5.939 1.00 22.19 ? 27 TRP A CG 1 ATOM 90 C CD1 . TRP A 1 12 ? 8.217 3.751 -5.076 1.00 22.60 ? 27 TRP A CD1 1 ATOM 91 C CD2 . TRP A 1 12 ? 8.951 4.379 -7.046 1.00 22.50 ? 27 TRP A CD2 1 ATOM 92 N NE1 . TRP A 1 12 ? 7.373 4.730 -5.531 1.00 22.88 ? 27 TRP A NE1 1 ATOM 93 C CE2 . TRP A 1 12 ? 7.801 5.125 -6.746 1.00 22.69 ? 27 TRP A CE2 1 ATOM 94 C CE3 . TRP A 1 12 ? 9.621 4.594 -8.286 1.00 22.68 ? 27 TRP A CE3 1 ATOM 95 C CZ2 . TRP A 1 12 ? 7.240 6.046 -7.617 1.00 23.96 ? 27 TRP A CZ2 1 ATOM 96 C CZ3 . TRP A 1 12 ? 9.083 5.545 -9.197 1.00 23.70 ? 27 TRP A CZ3 1 ATOM 97 C CH2 . TRP A 1 12 ? 7.864 6.226 -8.878 1.00 24.02 ? 27 TRP A CH2 1 ATOM 98 N N . PRO A 1 13 ? 11.359 -0.490 -7.687 1.00 24.68 ? 28 PRO A N 1 ATOM 99 C CA . PRO A 1 13 ? 11.943 -1.785 -7.516 1.00 24.76 ? 28 PRO A CA 1 ATOM 100 C C . PRO A 1 13 ? 13.406 -1.856 -7.104 1.00 23.70 ? 28 PRO A C 1 ATOM 101 O O . PRO A 1 13 ? 13.906 -2.937 -6.795 1.00 22.86 ? 28 PRO A O 1 ATOM 102 C CB . PRO A 1 13 ? 11.672 -2.507 -8.845 1.00 25.90 ? 28 PRO A CB 1 ATOM 103 C CG . PRO A 1 13 ? 11.397 -1.397 -9.806 1.00 26.46 ? 28 PRO A CG 1 ATOM 104 C CD . PRO A 1 13 ? 10.793 -0.284 -9.027 1.00 25.32 ? 28 PRO A CD 1 ATOM 105 N N . PHE A 1 14 ? 14.058 -0.718 -7.104 1.00 23.28 ? 29 PHE A N 1 ATOM 106 C CA . PHE A 1 14 ? 15.357 -0.524 -6.503 1.00 22.23 ? 29 PHE A CA 1 ATOM 107 C C . PHE A 1 14 ? 15.325 -0.217 -4.975 1.00 22.66 ? 29 PHE A C 1 ATOM 108 O O . PHE A 1 14 ? 16.393 -0.074 -4.383 1.00 22.31 ? 29 PHE A O 1 ATOM 109 C CB . PHE A 1 14 ? 16.070 0.661 -7.210 1.00 22.19 ? 29 PHE A CB 1 ATOM 110 C CG . PHE A 1 14 ? 15.189 1.891 -7.314 1.00 22.91 ? 29 PHE A CG 1 ATOM 111 C CD1 . PHE A 1 14 ? 14.966 2.690 -6.216 1.00 21.90 ? 29 PHE A CD1 1 ATOM 112 C CD2 . PHE A 1 14 ? 14.526 2.191 -8.529 1.00 22.84 ? 29 PHE A CD2 1 ATOM 113 C CE1 . PHE A 1 14 ? 14.125 3.795 -6.271 1.00 22.49 ? 29 PHE A CE1 1 ATOM 114 C CE2 . PHE A 1 14 ? 13.757 3.318 -8.595 1.00 23.23 ? 29 PHE A CE2 1 ATOM 115 C CZ . PHE A 1 14 ? 13.476 4.076 -7.436 1.00 22.81 ? 29 PHE A CZ 1 ATOM 116 N N . MET A 1 15 ? 14.151 -0.120 -4.344 1.00 22.95 ? 30 MET A N 1 ATOM 117 C CA . MET A 1 15 ? 14.064 0.212 -2.930 1.00 22.41 ? 30 MET A CA 1 ATOM 118 C C . MET A 1 15 ? 14.432 -0.970 -2.088 1.00 22.44 ? 30 MET A C 1 ATOM 119 O O . MET A 1 15 ? 13.915 -2.090 -2.343 1.00 25.32 ? 30 MET A O 1 ATOM 120 C CB . MET A 1 15 ? 12.617 0.643 -2.602 1.00 22.39 ? 30 MET A CB 1 ATOM 121 C CG . MET A 1 15 ? 12.389 1.074 -1.125 1.00 22.70 ? 30 MET A CG 1 ATOM 122 S SD . MET A 1 15 ? 13.434 2.503 -0.732 1.00 20.86 ? 30 MET A SD 1 ATOM 123 C CE . MET A 1 15 ? 13.440 2.390 1.055 1.00 20.38 ? 30 MET A CE 1 ATOM 124 N N . VAL A 1 16 ? 15.293 -0.756 -1.072 1.00 20.40 ? 31 VAL A N 1 ATOM 125 C CA . VAL A 1 16 ? 15.818 -1.825 -0.250 1.00 19.31 ? 31 VAL A CA 1 ATOM 126 C C . VAL A 1 16 ? 15.513 -1.562 1.194 1.00 18.80 ? 31 VAL A C 1 ATOM 127 O O . VAL A 1 16 ? 15.443 -0.388 1.614 1.00 17.43 ? 31 VAL A O 1 ATOM 128 C CB . VAL A 1 16 ? 17.367 -1.921 -0.480 1.00 19.19 ? 31 VAL A CB 1 ATOM 129 C CG1 . VAL A 1 16 ? 18.014 -2.923 0.401 1.00 18.89 ? 31 VAL A CG1 1 ATOM 130 C CG2 . VAL A 1 16 ? 17.647 -2.222 -1.967 1.00 19.66 ? 31 VAL A CG2 1 ATOM 131 N N . SER A 1 17 ? 15.253 -2.631 1.930 1.00 18.73 ? 32 SER A N 1 ATOM 132 C CA . SER A 1 17 ? 15.059 -2.537 3.392 1.00 19.74 ? 32 SER A CA 1 ATOM 133 C C . SER A 1 17 ? 16.282 -3.219 4.049 1.00 20.40 ? 32 SER A C 1 ATOM 134 O O . SER A 1 17 ? 16.601 -4.377 3.688 1.00 20.44 ? 32 SER A O 1 ATOM 135 C CB . SER A 1 17 ? 13.804 -3.277 3.843 1.00 20.26 ? 32 SER A CB 1 ATOM 136 O OG . SER A 1 17 ? 13.766 -3.319 5.237 1.00 20.33 ? 32 SER A OG 1 ATOM 137 N N . LEU A 1 18 ? 17.024 -2.495 4.910 1.00 20.43 ? 33 LEU A N 1 ATOM 138 C CA . LEU A 1 18 ? 18.104 -3.152 5.633 1.00 21.17 ? 33 LEU A CA 1 ATOM 139 C C . LEU A 1 18 ? 17.489 -3.606 6.947 1.00 22.04 ? 33 LEU A C 1 ATOM 140 O O . LEU A 1 18 ? 16.838 -2.786 7.611 1.00 22.27 ? 33 LEU A O 1 ATOM 141 C CB . LEU A 1 18 ? 19.230 -2.157 5.919 1.00 20.46 ? 33 LEU A CB 1 ATOM 142 C CG . LEU A 1 18 ? 19.871 -1.560 4.649 1.00 21.23 ? 33 LEU A CG 1 ATOM 143 C CD1 . LEU A 1 18 ? 20.998 -0.612 5.067 1.00 20.62 ? 33 LEU A CD1 1 ATOM 144 C CD2 . LEU A 1 18 ? 20.399 -2.718 3.754 1.00 21.31 ? 33 LEU A CD2 1 ATOM 145 N N . GLN A 1 19 ? 17.717 -4.860 7.340 1.00 22.72 ? 34 GLN A N 1 ATOM 146 C CA . GLN A 1 19 ? 17.101 -5.364 8.551 1.00 24.18 ? 34 GLN A CA 1 ATOM 147 C C . GLN A 1 19 ? 18.076 -6.062 9.452 1.00 25.37 ? 34 GLN A C 1 ATOM 148 O O . GLN A 1 19 ? 19.117 -6.515 8.991 1.00 25.43 ? 34 GLN A O 1 ATOM 149 C CB . GLN A 1 19 ? 16.010 -6.368 8.147 1.00 25.08 ? 34 GLN A CB 1 ATOM 150 C CG . GLN A 1 19 ? 15.098 -5.783 7.082 1.00 24.65 ? 34 GLN A CG 1 ATOM 151 C CD . GLN A 1 19 ? 13.808 -6.562 6.920 1.00 25.54 ? 34 GLN A CD 1 ATOM 152 O OE1 . GLN A 1 19 ? 13.690 -7.699 7.357 1.00 24.52 ? 34 GLN A OE1 1 ATOM 153 N NE2 . GLN A 1 19 ? 12.867 -5.934 6.298 1.00 24.20 ? 34 GLN A NE2 1 ATOM 154 N N . LEU A 1 20 ? 17.756 -6.093 10.723 1.00 26.79 ? 35 LEU A N 1 ATOM 155 C CA . LEU A 1 20 ? 18.517 -6.833 11.716 1.00 31.31 ? 35 LEU A CA 1 ATOM 156 C C . LEU A 1 20 ? 17.545 -7.544 12.611 1.00 34.72 ? 35 LEU A C 1 ATOM 157 O O . LEU A 1 20 ? 16.620 -6.870 13.104 1.00 35.22 ? 35 LEU A O 1 ATOM 158 C CB . LEU A 1 20 ? 19.318 -5.901 12.629 1.00 32.74 ? 35 LEU A CB 1 ATOM 159 C CG . LEU A 1 20 ? 20.710 -5.540 12.214 1.00 35.84 ? 35 LEU A CG 1 ATOM 160 C CD1 . LEU A 1 20 ? 21.362 -4.530 13.128 1.00 36.87 ? 35 LEU A CD1 1 ATOM 161 C CD2 . LEU A 1 20 ? 21.601 -6.767 12.222 1.00 37.90 ? 35 LEU A CD2 1 ATOM 162 N N . ARG A 1 21 ? 17.788 -8.818 12.891 1.00 39.38 ? 36 ARG A N 1 ATOM 163 C CA . ARG A 1 21 ? 16.945 -9.609 13.833 1.00 46.06 ? 36 ARG A CA 1 ATOM 164 C C . ARG A 1 21 ? 15.481 -9.485 13.423 1.00 45.88 ? 36 ARG A C 1 ATOM 165 O O . ARG A 1 21 ? 14.649 -9.185 14.296 1.00 41.80 ? 36 ARG A O 1 ATOM 166 C CB . ARG A 1 21 ? 17.046 -9.062 15.241 1.00 50.87 ? 36 ARG A CB 1 ATOM 167 C CG . ARG A 1 21 ? 18.423 -8.647 15.703 1.00 59.38 ? 36 ARG A CG 1 ATOM 168 C CD . ARG A 1 21 ? 18.356 -8.361 17.189 1.00 65.22 ? 36 ARG A CD 1 ATOM 169 N NE . ARG A 1 21 ? 19.641 -8.448 17.898 1.00 75.36 ? 36 ARG A NE 1 ATOM 170 C CZ . ARG A 1 21 ? 20.327 -9.579 18.172 1.00 82.10 ? 36 ARG A CZ 1 ATOM 171 N NH1 . ARG A 1 21 ? 19.914 -10.788 17.763 1.00 84.39 ? 36 ARG A NH1 1 ATOM 172 N NH2 . ARG A 1 21 ? 21.465 -9.503 18.867 1.00 83.72 ? 36 ARG A NH2 1 ATOM 173 N N . GLY A 1 22 ? 15.259 -9.585 12.083 1.00 45.40 ? 38 GLY A N 1 ATOM 174 C CA . GLY A 1 22 ? 14.021 -9.337 11.349 1.00 43.47 ? 38 GLY A CA 1 ATOM 175 C C . GLY A 1 22 ? 13.417 -7.917 11.354 1.00 42.68 ? 38 GLY A C 1 ATOM 176 O O . GLY A 1 22 ? 12.313 -7.737 10.836 1.00 47.45 ? 38 GLY A O 1 ATOM 177 N N . GLY A 1 23 ? 14.074 -6.920 11.957 1.00 36.83 ? 39 GLY A N 1 ATOM 178 C CA . GLY A 1 23 ? 13.549 -5.578 11.946 1.00 31.83 ? 39 GLY A CA 1 ATOM 179 C C . GLY A 1 23 ? 14.234 -4.615 10.988 1.00 27.97 ? 39 GLY A C 1 ATOM 180 O O . GLY A 1 23 ? 15.454 -4.507 11.011 1.00 24.48 ? 39 GLY A O 1 ATOM 181 N N . HIS A 1 24 ? 13.423 -3.903 10.197 1.00 24.91 ? 40 HIS A N 1 ATOM 182 C CA . HIS A 1 24 ? 13.822 -2.809 9.381 1.00 23.20 ? 40 HIS A CA 1 ATOM 183 C C . HIS A 1 24 ? 14.522 -1.747 10.209 1.00 23.03 ? 40 HIS A C 1 ATOM 184 O O . HIS A 1 24 ? 13.986 -1.335 11.181 1.00 22.11 ? 40 HIS A O 1 ATOM 185 C CB . HIS A 1 24 ? 12.617 -2.128 8.682 1.00 22.63 ? 40 HIS A CB 1 ATOM 186 C CG . HIS A 1 24 ? 12.968 -0.854 7.931 1.00 21.88 ? 40 HIS A CG 1 ATOM 187 N ND1 . HIS A 1 24 ? 13.393 -0.861 6.623 1.00 21.55 ? 40 HIS A ND1 1 ATOM 188 C CD2 . HIS A 1 24 ? 12.888 0.459 8.283 1.00 20.94 ? 40 HIS A CD2 1 ATOM 189 C CE1 . HIS A 1 24 ? 13.656 0.374 6.216 1.00 21.14 ? 40 HIS A CE1 1 ATOM 190 N NE2 . HIS A 1 24 ? 13.378 1.191 7.216 1.00 21.63 ? 40 HIS A NE2 1 ATOM 191 N N . PHE A 1 25 ? 15.723 -1.317 9.803 1.00 20.88 ? 41 PHE A N 1 ATOM 192 C CA . PHE A 1 25 ? 16.393 -0.195 10.469 1.00 19.26 ? 41 PHE A CA 1 ATOM 193 C C . PHE A 1 25 ? 16.804 0.922 9.554 1.00 18.10 ? 41 PHE A C 1 ATOM 194 O O . PHE A 1 25 ? 16.936 2.042 10.017 1.00 16.87 ? 41 PHE A O 1 ATOM 195 C CB . PHE A 1 25 ? 17.546 -0.657 11.381 1.00 18.95 ? 41 PHE A CB 1 ATOM 196 C CG . PHE A 1 25 ? 18.732 -1.120 10.666 1.00 17.46 ? 41 PHE A CG 1 ATOM 197 C CD1 . PHE A 1 25 ? 19.688 -0.207 10.252 1.00 17.86 ? 41 PHE A CD1 1 ATOM 198 C CD2 . PHE A 1 25 ? 18.882 -2.445 10.350 1.00 18.03 ? 41 PHE A CD2 1 ATOM 199 C CE1 . PHE A 1 25 ? 20.820 -0.588 9.484 1.00 17.52 ? 41 PHE A CE1 1 ATOM 200 C CE2 . PHE A 1 25 ? 19.968 -2.863 9.641 1.00 17.53 ? 41 PHE A CE2 1 ATOM 201 C CZ . PHE A 1 25 ? 20.925 -1.932 9.138 1.00 17.85 ? 41 PHE A CZ 1 ATOM 202 N N . CYS A 1 26 ? 16.777 0.704 8.222 1.00 18.32 ? 42 CYS A N 1 ATOM 203 C CA . CYS A 1 26 ? 17.124 1.764 7.302 1.00 17.90 ? 42 CYS A CA 1 ATOM 204 C C . CYS A 1 26 ? 16.792 1.287 5.851 1.00 17.93 ? 42 CYS A C 1 ATOM 205 O O . CYS A 1 26 ? 16.713 0.095 5.584 1.00 17.42 ? 42 CYS A O 1 ATOM 206 C CB . CYS A 1 26 ? 18.649 1.973 7.356 1.00 18.55 ? 42 CYS A CB 1 ATOM 207 S SG . CYS A 1 26 ? 19.271 3.268 8.430 1.00 18.66 ? 42 CYS A SG 1 ATOM 208 N N . GLY A 1 27 ? 16.598 2.256 4.980 1.00 17.07 ? 43 GLY A N 1 ATOM 209 C CA . GLY A 1 27 ? 16.459 2.020 3.621 1.00 17.03 ? 43 GLY A CA 1 ATOM 210 C C . GLY A 1 27 ? 17.810 2.015 2.945 1.00 17.22 ? 43 GLY A C 1 ATOM 211 O O . GLY A 1 27 ? 18.799 2.373 3.522 1.00 17.75 ? 43 GLY A O 1 ATOM 212 N N . ALA A 1 28 ? 17.820 1.525 1.713 1.00 17.72 ? 44 ALA A N 1 ATOM 213 C CA . ALA A 1 28 ? 18.967 1.530 0.820 1.00 17.71 ? 44 ALA A CA 1 ATOM 214 C C . ALA A 1 28 ? 18.398 1.460 -0.621 1.00 17.86 ? 44 ALA A C 1 ATOM 215 O O . ALA A 1 28 ? 17.159 1.377 -0.864 1.00 17.76 ? 44 ALA A O 1 ATOM 216 C CB . ALA A 1 28 ? 19.879 0.358 1.139 1.00 17.43 ? 44 ALA A CB 1 ATOM 217 N N . THR A 1 29 ? 19.296 1.468 -1.571 1.00 17.80 ? 45 THR A N 1 ATOM 218 C CA . THR A 1 29 ? 18.966 1.532 -2.974 1.00 18.30 ? 45 THR A CA 1 ATOM 219 C C . THR A 1 29 ? 19.893 0.554 -3.725 1.00 18.79 ? 45 THR A C 1 ATOM 220 O O . THR A 1 29 ? 21.116 0.442 -3.438 1.00 18.56 ? 45 THR A O 1 ATOM 221 C CB . THR A 1 29 ? 19.332 2.934 -3.570 1.00 18.82 ? 45 THR A CB 1 ATOM 222 O OG1 . THR A 1 29 ? 18.581 3.952 -2.986 1.00 17.40 ? 45 THR A OG1 1 ATOM 223 C CG2 . THR A 1 29 ? 19.000 2.955 -5.095 1.00 19.32 ? 45 THR A CG2 1 ATOM 224 N N . LEU A 1 30 ? 19.314 -0.191 -4.643 1.00 19.81 ? 46 LEU A N 1 ATOM 225 C CA . LEU A 1 30 ? 20.035 -1.236 -5.361 1.00 19.94 ? 46 LEU A CA 1 ATOM 226 C C . LEU A 1 30 ? 20.681 -0.595 -6.516 1.00 20.58 ? 46 LEU A C 1 ATOM 227 O O . LEU A 1 30 ? 19.995 0.061 -7.314 1.00 21.09 ? 46 LEU A O 1 ATOM 228 C CB . LEU A 1 30 ? 19.126 -2.339 -5.788 1.00 20.60 ? 46 LEU A CB 1 ATOM 229 C CG . LEU A 1 30 ? 19.869 -3.475 -6.502 1.00 21.34 ? 46 LEU A CG 1 ATOM 230 C CD1 . LEU A 1 30 ? 20.620 -4.369 -5.563 1.00 21.53 ? 46 LEU A CD1 1 ATOM 231 C CD2 . LEU A 1 30 ? 18.806 -4.321 -7.248 1.00 22.51 ? 46 LEU A CD2 1 ATOM 232 N N . ILE A 1 31 ? 22.012 -0.626 -6.530 1.00 21.17 ? 47 ILE A N 1 ATOM 233 C CA . ILE A 1 31 ? 22.788 0.117 -7.549 1.00 22.53 ? 47 ILE A CA 1 ATOM 234 C C . ILE A 1 31 ? 23.561 -0.740 -8.565 1.00 22.75 ? 47 ILE A C 1 ATOM 235 O O . ILE A 1 31 ? 23.991 -0.218 -9.539 1.00 24.45 ? 47 ILE A O 1 ATOM 236 C CB . ILE A 1 31 ? 23.651 1.252 -6.961 1.00 22.80 ? 47 ILE A CB 1 ATOM 237 C CG1 . ILE A 1 31 ? 24.715 0.633 -6.078 1.00 23.45 ? 47 ILE A CG1 1 ATOM 238 C CG2 . ILE A 1 31 ? 22.747 2.282 -6.237 1.00 22.35 ? 47 ILE A CG2 1 ATOM 239 C CD1 . ILE A 1 31 ? 25.738 1.558 -5.548 1.00 24.01 ? 47 ILE A CD1 1 ATOM 240 N N . ALA A 1 32 ? 23.600 -2.022 -8.347 1.00 22.90 ? 48 ALA A N 1 ATOM 241 C CA . ALA A 1 32 ? 24.091 -3.010 -9.234 1.00 24.29 ? 48 ALA A CA 1 ATOM 242 C C . ALA A 1 32 ? 23.494 -4.338 -8.704 1.00 26.45 ? 48 ALA A C 1 ATOM 243 O O . ALA A 1 32 ? 22.974 -4.344 -7.574 1.00 27.45 ? 48 ALA A O 1 ATOM 244 C CB . ALA A 1 32 ? 25.584 -3.070 -9.156 1.00 23.78 ? 48 ALA A CB 1 ATOM 245 N N . PRO A 1 33 ? 23.556 -5.476 -9.477 1.00 27.83 ? 49 PRO A N 1 ATOM 246 C CA . PRO A 1 33 ? 22.974 -6.695 -8.882 1.00 28.25 ? 49 PRO A CA 1 ATOM 247 C C . PRO A 1 33 ? 23.530 -7.038 -7.513 1.00 28.79 ? 49 PRO A C 1 ATOM 248 O O . PRO A 1 33 ? 22.803 -7.634 -6.707 1.00 33.24 ? 49 PRO A O 1 ATOM 249 C CB . PRO A 1 33 ? 23.378 -7.807 -9.896 1.00 29.14 ? 49 PRO A CB 1 ATOM 250 C CG . PRO A 1 33 ? 23.352 -7.089 -11.273 1.00 28.81 ? 49 PRO A CG 1 ATOM 251 C CD . PRO A 1 33 ? 23.956 -5.699 -10.904 1.00 28.90 ? 49 PRO A CD 1 ATOM 252 N N . ASN A 1 34 ? 24.806 -6.733 -7.266 1.00 28.28 ? 50 ASN A N 1 ATOM 253 C CA . ASN A 1 34 ? 25.506 -7.124 -6.041 1.00 28.14 ? 50 ASN A CA 1 ATOM 254 C C . ASN A 1 34 ? 25.983 -5.917 -5.179 1.00 25.95 ? 50 ASN A C 1 ATOM 255 O O . ASN A 1 34 ? 26.849 -6.096 -4.365 1.00 24.80 ? 50 ASN A O 1 ATOM 256 C CB . ASN A 1 34 ? 26.688 -8.006 -6.427 1.00 30.15 ? 50 ASN A CB 1 ATOM 257 C CG . ASN A 1 34 ? 27.753 -7.231 -7.227 1.00 30.49 ? 50 ASN A CG 1 ATOM 258 O OD1 . ASN A 1 34 ? 27.444 -6.272 -7.973 1.00 30.80 ? 50 ASN A OD1 1 ATOM 259 N ND2 . ASN A 1 34 ? 28.999 -7.600 -7.023 1.00 30.39 ? 50 ASN A ND2 1 ATOM 260 N N . PHE A 1 35 ? 25.436 -4.709 -5.394 1.00 24.63 ? 51 PHE A N 1 ATOM 261 C CA . PHE A 1 35 ? 25.759 -3.589 -4.546 1.00 24.01 ? 51 PHE A CA 1 ATOM 262 C C . PHE A 1 35 ? 24.515 -2.809 -4.206 1.00 22.72 ? 51 PHE A C 1 ATOM 263 O O . PHE A 1 35 ? 23.732 -2.458 -5.067 1.00 23.08 ? 51 PHE A O 1 ATOM 264 C CB . PHE A 1 35 ? 26.756 -2.604 -5.141 1.00 24.61 ? 51 PHE A CB 1 ATOM 265 C CG . PHE A 1 35 ? 28.132 -3.180 -5.317 1.00 26.30 ? 51 PHE A CG 1 ATOM 266 C CD1 . PHE A 1 35 ? 29.050 -3.181 -4.287 1.00 27.33 ? 51 PHE A CD1 1 ATOM 267 C CD2 . PHE A 1 35 ? 28.517 -3.725 -6.529 1.00 27.28 ? 51 PHE A CD2 1 ATOM 268 C CE1 . PHE A 1 35 ? 30.335 -3.725 -4.470 1.00 26.60 ? 51 PHE A CE1 1 ATOM 269 C CE2 . PHE A 1 35 ? 29.785 -4.257 -6.689 1.00 28.40 ? 51 PHE A CE2 1 ATOM 270 C CZ . PHE A 1 35 ? 30.674 -4.271 -5.659 1.00 27.25 ? 51 PHE A CZ 1 ATOM 271 N N . VAL A 1 36 ? 24.390 -2.512 -2.938 1.00 21.42 ? 52 VAL A N 1 ATOM 272 C CA . VAL A 1 36 ? 23.487 -1.404 -2.466 1.00 20.80 ? 52 VAL A CA 1 ATOM 273 C C . VAL A 1 36 ? 24.178 -0.146 -1.919 1.00 20.27 ? 52 VAL A C 1 ATOM 274 O O . VAL A 1 36 ? 25.223 -0.228 -1.358 1.00 21.32 ? 52 VAL A O 1 ATOM 275 C CB . VAL A 1 36 ? 22.367 -1.880 -1.464 1.00 19.73 ? 52 VAL A CB 1 ATOM 276 C CG1 . VAL A 1 36 ? 21.577 -3.069 -2.074 1.00 20.36 ? 52 VAL A CG1 1 ATOM 277 C CG2 . VAL A 1 36 ? 22.884 -2.193 -0.099 1.00 18.97 ? 52 VAL A CG2 1 ATOM 278 N N . MET A 1 37 ? 23.495 1.004 -1.992 1.00 20.13 ? 53 MET A N 1 ATOM 279 C CA . MET A 1 37 ? 23.979 2.148 -1.268 1.00 20.24 ? 53 MET A CA 1 ATOM 280 C C . MET A 1 37 ? 22.973 2.658 -0.260 1.00 18.48 ? 53 MET A C 1 ATOM 281 O O . MET A 1 37 ? 21.755 2.645 -0.529 1.00 17.58 ? 53 MET A O 1 ATOM 282 C CB . MET A 1 37 ? 24.417 3.257 -2.255 1.00 21.44 ? 53 MET A CB 1 ATOM 283 C CG . MET A 1 37 ? 23.406 4.015 -2.903 1.00 21.76 ? 53 MET A CG 1 ATOM 284 S SD . MET A 1 37 ? 24.067 5.396 -3.918 1.00 24.52 ? 53 MET A SD 1 ATOM 285 C CE . MET A 1 37 ? 22.394 5.888 -4.367 1.00 23.62 ? 53 MET A CE 1 ATOM 286 N N . SER A 1 38 ? 23.506 3.208 0.831 1.00 17.93 ? 54 SER A N 1 ATOM 287 C CA . SER A 1 38 ? 22.741 3.685 1.964 1.00 17.04 ? 54 SER A CA 1 ATOM 288 C C . SER A 1 38 ? 23.523 4.791 2.589 1.00 16.93 ? 54 SER A C 1 ATOM 289 O O . SER A 1 38 ? 24.494 5.286 1.990 1.00 16.49 ? 54 SER A O 1 ATOM 290 C CB . SER A 1 38 ? 22.516 2.527 3.004 1.00 17.89 ? 54 SER A CB 1 ATOM 291 O OG . SER A 1 38 ? 21.476 2.823 3.905 1.00 16.36 ? 54 SER A OG 1 ATOM 292 N N . ALA A 1 39 ? 23.066 5.204 3.766 1.00 15.58 ? 55 ALA A N 1 ATOM 293 C CA . ALA A 1 39 ? 23.701 6.283 4.477 1.00 15.83 ? 55 ALA A CA 1 ATOM 294 C C . ALA A 1 39 ? 24.690 5.665 5.434 1.00 15.80 ? 55 ALA A C 1 ATOM 295 O O . ALA A 1 39 ? 24.447 4.639 6.035 1.00 15.04 ? 55 ALA A O 1 ATOM 296 C CB . ALA A 1 39 ? 22.643 7.071 5.268 1.00 15.83 ? 55 ALA A CB 1 ATOM 297 N N . ALA A 1 40 ? 25.842 6.294 5.586 1.00 17.00 ? 56 ALA A N 1 ATOM 298 C CA . ALA A 1 40 ? 26.808 5.883 6.542 1.00 17.29 ? 56 ALA A CA 1 ATOM 299 C C . ALA A 1 40 ? 26.231 5.891 7.947 1.00 17.27 ? 56 ALA A C 1 ATOM 300 O O . ALA A 1 40 ? 26.608 5.075 8.780 1.00 17.27 ? 56 ALA A O 1 ATOM 301 C CB . ALA A 1 40 ? 28.037 6.791 6.457 1.00 18.14 ? 56 ALA A CB 1 ATOM 302 N N . HIS A 1 41 ? 25.334 6.809 8.269 1.00 16.86 ? 57 HIS A N 1 ATOM 303 C CA . HIS A 1 41 ? 24.830 6.789 9.678 1.00 17.33 ? 57 HIS A CA 1 ATOM 304 C C . HIS A 1 41 ? 24.027 5.514 9.950 1.00 17.21 ? 57 HIS A C 1 ATOM 305 O O . HIS A 1 41 ? 23.833 5.069 11.119 1.00 17.85 ? 57 HIS A O 1 ATOM 306 C CB . HIS A 1 41 ? 24.069 8.102 10.034 1.00 16.78 ? 57 HIS A CB 1 ATOM 307 C CG . HIS A 1 41 ? 22.669 8.181 9.524 1.00 16.98 ? 57 HIS A CG 1 ATOM 308 N ND1 . HIS A 1 41 ? 22.332 8.814 8.341 1.00 16.55 ? 57 HIS A ND1 1 ATOM 309 C CD2 . HIS A 1 41 ? 21.487 7.750 10.075 1.00 16.48 ? 57 HIS A CD2 1 ATOM 310 C CE1 . HIS A 1 41 ? 21.014 8.872 8.258 1.00 15.96 ? 57 HIS A CE1 1 ATOM 311 N NE2 . HIS A 1 41 ? 20.487 8.241 9.284 1.00 15.76 ? 57 HIS A NE2 1 ATOM 312 N N . CYS A 1 42 ? 23.649 4.873 8.895 1.00 16.77 ? 58 CYS A N 1 ATOM 313 C CA . CYS A 1 42 ? 22.836 3.631 9.011 1.00 17.72 ? 58 CYS A CA 1 ATOM 314 C C . CYS A 1 42 ? 23.681 2.496 9.473 1.00 17.97 ? 58 CYS A C 1 ATOM 315 O O . CYS A 1 42 ? 23.179 1.640 10.083 1.00 17.89 ? 58 CYS A O 1 ATOM 316 C CB . CYS A 1 42 ? 22.198 3.171 7.659 1.00 17.32 ? 58 CYS A CB 1 ATOM 317 S SG . CYS A 1 42 ? 20.801 4.145 7.287 1.00 17.79 ? 58 CYS A SG 1 ATOM 318 N N . VAL A 1 43 ? 24.949 2.468 9.113 1.00 19.69 ? 59 VAL A N 1 ATOM 319 C CA . VAL A 1 43 ? 25.812 1.355 9.452 1.00 21.09 ? 59 VAL A CA 1 ATOM 320 C C . VAL A 1 43 ? 26.943 1.625 10.430 1.00 22.07 ? 59 VAL A C 1 ATOM 321 O O . VAL A 1 43 ? 27.594 0.705 10.841 1.00 21.73 ? 59 VAL A O 1 ATOM 322 C CB . VAL A 1 43 ? 26.351 0.692 8.208 1.00 22.32 ? 59 VAL A CB 1 ATOM 323 C CG1 . VAL A 1 43 ? 25.195 0.238 7.362 1.00 23.25 ? 59 VAL A CG1 1 ATOM 324 C CG2 . VAL A 1 43 ? 27.289 1.574 7.435 1.00 23.14 ? 59 VAL A CG2 1 ATOM 325 N N . ALA A 1 44 ? 27.175 2.874 10.799 1.00 23.37 ? 60 ALA A N 1 ATOM 326 C CA . ALA A 1 44 ? 28.225 3.254 11.777 1.00 25.45 ? 60 ALA A CA 1 ATOM 327 C C . ALA A 1 44 ? 28.429 2.306 12.972 1.00 27.73 ? 60 ALA A C 1 ATOM 328 O O . ALA A 1 44 ? 29.533 1.852 13.246 1.00 33.20 ? 60 ALA A O 1 ATOM 329 C CB . ALA A 1 44 ? 27.959 4.646 12.334 1.00 23.83 ? 60 ALA A CB 1 ATOM 330 N N . ASN A 1 45 ? 27.421 1.942 13.668 1.00 28.25 ? 61 ASN A N 1 ATOM 331 C CA . ASN A 1 45 ? 27.712 1.128 14.859 1.00 27.82 ? 61 ASN A CA 1 ATOM 332 C C . ASN A 1 45 ? 26.954 -0.135 14.836 1.00 27.43 ? 61 ASN A C 1 ATOM 333 O O . ASN A 1 45 ? 26.542 -0.625 15.919 1.00 26.65 ? 61 ASN A O 1 ATOM 334 C CB . ASN A 1 45 ? 27.179 1.928 16.044 1.00 29.71 ? 61 ASN A CB 1 ATOM 335 C CG . ASN A 1 45 ? 27.990 3.177 16.260 1.00 30.22 ? 61 ASN A CG 1 ATOM 336 O OD1 . ASN A 1 45 ? 29.211 3.130 16.447 1.00 29.00 ? 61 ASN A OD1 1 ATOM 337 N ND2 . ASN A 1 45 ? 27.314 4.299 16.165 1.00 29.82 ? 61 ASN A ND2 1 ATOM 338 N N . VAL A 1 46 ? 26.659 -0.591 13.618 1.00 25.99 ? 62 VAL A N 1 ATOM 339 C CA . VAL A 1 46 ? 25.817 -1.727 13.426 1.00 25.84 ? 62 VAL A CA 1 ATOM 340 C C . VAL A 1 46 ? 26.681 -2.931 13.396 1.00 25.48 ? 62 VAL A C 1 ATOM 341 O O . VAL A 1 46 ? 27.864 -2.820 13.086 1.00 23.26 ? 62 VAL A O 1 ATOM 342 C CB . VAL A 1 46 ? 25.043 -1.467 12.130 1.00 27.20 ? 62 VAL A CB 1 ATOM 343 C CG1 . VAL A 1 46 ? 25.543 -2.282 10.965 1.00 26.79 ? 62 VAL A CG1 1 ATOM 344 C CG2 . VAL A 1 46 ? 23.583 -1.579 12.328 1.00 28.08 ? 62 VAL A CG2 1 ATOM 345 N N . ASN A 1 47 ? 26.135 -4.110 13.691 1.00 28.47 ? 63 ASN A N 1 ATOM 346 C CA . ASN A 1 47 ? 26.879 -5.339 13.324 1.00 33.42 ? 63 ASN A CA 1 ATOM 347 C C . ASN A 1 47 ? 26.566 -5.771 11.927 1.00 32.65 ? 63 ASN A C 1 ATOM 348 O O . ASN A 1 47 ? 25.435 -6.290 11.722 1.00 31.64 ? 63 ASN A O 1 ATOM 349 C CB . ASN A 1 47 ? 26.499 -6.605 14.182 1.00 38.66 ? 63 ASN A CB 1 ATOM 350 C CG . ASN A 1 47 ? 27.437 -7.806 13.911 1.00 40.56 ? 63 ASN A CG 1 ATOM 351 O OD1 . ASN A 1 47 ? 28.404 -7.814 13.066 1.00 43.49 ? 63 ASN A OD1 1 ATOM 352 N ND2 . ASN A 1 47 ? 27.155 -8.846 14.627 1.00 46.38 ? 63 ASN A ND2 1 ATOM 353 N N . VAL A 1 48 ? 27.546 -5.651 11.034 1.00 31.27 ? 64 VAL A N 1 ATOM 354 C CA . VAL A 1 48 ? 27.264 -5.728 9.681 1.00 35.41 ? 64 VAL A CA 1 ATOM 355 C C . VAL A 1 48 ? 27.107 -7.187 9.261 1.00 37.91 ? 64 VAL A C 1 ATOM 356 O O . VAL A 1 48 ? 26.335 -7.449 8.345 1.00 41.45 ? 64 VAL A O 1 ATOM 357 C CB . VAL A 1 48 ? 28.264 -4.953 8.786 1.00 37.69 ? 64 VAL A CB 1 ATOM 358 C CG1 . VAL A 1 48 ? 28.768 -3.683 9.465 1.00 36.31 ? 64 VAL A CG1 1 ATOM 359 C CG2 . VAL A 1 48 ? 29.414 -5.801 8.362 1.00 38.63 ? 64 VAL A CG2 1 ATOM 360 N N . ARG A 1 49 ? 27.845 -8.104 9.899 1.00 37.33 ? 65 ARG A N 1 ATOM 361 C CA . ARG A 1 49 ? 27.719 -9.566 9.665 1.00 38.22 ? 65 ARG A CA 1 ATOM 362 C C . ARG A 1 49 ? 26.266 -10.041 9.811 1.00 36.06 ? 65 ARG A C 1 ATOM 363 O O . ARG A 1 49 ? 25.920 -11.037 9.263 1.00 39.91 ? 65 ARG A O 1 ATOM 364 C CB . ARG A 1 49 ? 28.664 -10.401 10.627 1.00 37.31 ? 65 ARG A CB 1 ATOM 365 C CG . ARG A 1 49 ? 28.057 -10.976 11.903 0.010 37.62 ? 65 ARG A CG 1 ATOM 366 C CD . ARG A 1 49 ? 29.106 -11.736 12.706 0.010 38.03 ? 65 ARG A CD 1 ATOM 367 N NE . ARG A 1 49 ? 30.223 -10.891 13.119 0.010 37.84 ? 65 ARG A NE 1 ATOM 368 C CZ . ARG A 1 49 ? 31.430 -11.348 13.435 0.010 38.33 ? 65 ARG A CZ 1 ATOM 369 N NH1 . ARG A 1 49 ? 31.685 -12.648 13.382 0.010 38.98 ? 65 ARG A NH1 1 ATOM 370 N NH2 . ARG A 1 49 ? 32.386 -10.504 13.799 0.010 38.22 ? 65 ARG A NH2 1 ATOM 371 N N . ALA A 1 50 ? 25.486 -9.356 10.623 1.00 34.04 ? 66 ALA A N 1 ATOM 372 C CA . ALA A 1 50 ? 24.086 -9.642 10.897 1.00 34.50 ? 66 ALA A CA 1 ATOM 373 C C . ALA A 1 50 ? 23.047 -8.890 10.089 1.00 32.98 ? 66 ALA A C 1 ATOM 374 O O . ALA A 1 50 ? 21.886 -9.240 10.151 1.00 32.38 ? 66 ALA A O 1 ATOM 375 C CB . ALA A 1 50 ? 23.791 -9.344 12.339 1.00 34.66 ? 66 ALA A CB 1 ATOM 376 N N . VAL A 1 51 ? 23.458 -7.857 9.344 1.00 32.04 ? 68 VAL A N 1 ATOM 377 C CA . VAL A 1 51 ? 22.549 -7.102 8.534 1.00 28.31 ? 68 VAL A CA 1 ATOM 378 C C . VAL A 1 51 ? 21.990 -8.010 7.419 1.00 27.81 ? 68 VAL A C 1 ATOM 379 O O . VAL A 1 51 ? 22.749 -8.745 6.786 1.00 26.75 ? 68 VAL A O 1 ATOM 380 C CB . VAL A 1 51 ? 23.239 -5.873 7.984 1.00 28.54 ? 68 VAL A CB 1 ATOM 381 C CG1 . VAL A 1 51 ? 22.363 -5.217 6.893 1.00 27.86 ? 68 VAL A CG1 1 ATOM 382 C CG2 . VAL A 1 51 ? 23.456 -4.908 9.162 1.00 28.68 ? 68 VAL A CG2 1 ATOM 383 N N . ARG A 1 52 ? 20.667 -8.000 7.251 1.00 26.32 ? 69 ARG A N 1 ATOM 384 C CA . ARG A 1 52 ? 20.041 -8.626 6.049 1.00 28.39 ? 69 ARG A CA 1 ATOM 385 C C . ARG A 1 52 ? 19.563 -7.571 5.099 1.00 25.30 ? 69 ARG A C 1 ATOM 386 O O . ARG A 1 52 ? 18.906 -6.639 5.505 1.00 24.82 ? 69 ARG A O 1 ATOM 387 C CB . ARG A 1 52 ? 18.887 -9.522 6.435 1.00 31.42 ? 69 ARG A CB 1 ATOM 388 C CG . ARG A 1 52 ? 19.352 -10.726 7.230 1.00 37.97 ? 69 ARG A CG 1 ATOM 389 C CD . ARG A 1 52 ? 18.242 -11.749 7.462 1.00 46.31 ? 69 ARG A CD 1 ATOM 390 N NE . ARG A 1 52 ? 18.815 -13.088 7.772 1.00 54.86 ? 69 ARG A NE 1 ATOM 391 C CZ . ARG A 1 52 ? 18.874 -13.657 8.994 1.00 60.02 ? 69 ARG A CZ 1 ATOM 392 N NH1 . ARG A 1 52 ? 18.380 -13.041 10.089 1.00 58.24 ? 69 ARG A NH1 1 ATOM 393 N NH2 . ARG A 1 52 ? 19.449 -14.861 9.122 1.00 62.09 ? 69 ARG A NH2 1 ATOM 394 N N . VAL A 1 53 ? 19.865 -7.745 3.828 1.00 24.92 ? 70 VAL A N 1 ATOM 395 C CA . VAL A 1 53 ? 19.545 -6.760 2.791 1.00 23.94 ? 70 VAL A CA 1 ATOM 396 C C . VAL A 1 53 ? 18.388 -7.367 2.035 1.00 25.57 ? 70 VAL A C 1 ATOM 397 O O . VAL A 1 53 ? 18.539 -8.444 1.336 1.00 23.52 ? 70 VAL A O 1 ATOM 398 C CB . VAL A 1 53 ? 20.721 -6.581 1.836 1.00 24.22 ? 70 VAL A CB 1 ATOM 399 C CG1 . VAL A 1 53 ? 20.383 -5.586 0.720 1.00 25.15 ? 70 VAL A CG1 1 ATOM 400 C CG2 . VAL A 1 53 ? 21.983 -6.168 2.619 1.00 23.97 ? 70 VAL A CG2 1 ATOM 401 N N . VAL A 1 54 ? 17.238 -6.694 2.177 1.00 25.41 ? 71 VAL A N 1 ATOM 402 C CA . VAL A 1 54 ? 15.964 -7.239 1.657 1.00 27.14 ? 71 VAL A CA 1 ATOM 403 C C . VAL A 1 54 ? 15.477 -6.503 0.382 1.00 26.98 ? 71 VAL A C 1 ATOM 404 O O . VAL A 1 54 ? 15.030 -5.357 0.442 1.00 26.07 ? 71 VAL A O 1 ATOM 405 C CB . VAL A 1 54 ? 14.868 -7.229 2.775 1.00 26.68 ? 71 VAL A CB 1 ATOM 406 C CG1 . VAL A 1 54 ? 13.530 -7.687 2.224 1.00 27.50 ? 71 VAL A CG1 1 ATOM 407 C CG2 . VAL A 1 54 ? 15.279 -8.110 3.959 1.00 27.00 ? 71 VAL A CG2 1 ATOM 408 N N . LEU A 1 55 ? 15.599 -7.159 -0.769 1.00 27.99 ? 72 LEU A N 1 ATOM 409 C CA . LEU A 1 55 ? 15.168 -6.621 -2.046 1.00 27.87 ? 72 LEU A CA 1 ATOM 410 C C . LEU A 1 55 ? 13.691 -7.080 -2.350 1.00 27.99 ? 72 LEU A C 1 ATOM 411 O O . LEU A 1 55 ? 13.226 -8.054 -1.808 1.00 28.35 ? 72 LEU A O 1 ATOM 412 C CB . LEU A 1 55 ? 16.106 -7.126 -3.111 1.00 29.03 ? 72 LEU A CB 1 ATOM 413 C CG . LEU A 1 55 ? 17.619 -7.153 -2.882 1.00 29.09 ? 72 LEU A CG 1 ATOM 414 C CD1 . LEU A 1 55 ? 18.303 -7.544 -4.195 1.00 28.80 ? 72 LEU A CD1 1 ATOM 415 C CD2 . LEU A 1 55 ? 18.096 -5.802 -2.454 1.00 28.76 ? 72 LEU A CD2 1 ATOM 416 N N . GLY A 1 56 ? 12.976 -6.371 -3.196 1.00 27.47 ? 73 GLY A N 1 ATOM 417 C CA . GLY A 1 56 ? 11.703 -6.856 -3.690 1.00 28.94 ? 73 GLY A CA 1 ATOM 418 C C . GLY A 1 56 ? 10.579 -6.749 -2.644 1.00 29.10 ? 73 GLY A C 1 ATOM 419 O O . GLY A 1 56 ? 9.500 -7.380 -2.813 1.00 30.54 ? 73 GLY A O 1 ATOM 420 N N . ALA A 1 57 ? 10.785 -5.958 -1.593 1.00 26.07 ? 74 ALA A N 1 ATOM 421 C CA . ALA A 1 57 ? 9.765 -5.861 -0.510 1.00 26.44 ? 74 ALA A CA 1 ATOM 422 C C . ALA A 1 57 ? 8.741 -4.796 -0.779 1.00 25.36 ? 74 ALA A C 1 ATOM 423 O O . ALA A 1 57 ? 9.022 -3.848 -1.512 1.00 24.18 ? 74 ALA A O 1 ATOM 424 C CB . ALA A 1 57 ? 10.410 -5.599 0.838 1.00 25.59 ? 74 ALA A CB 1 ATOM 425 N N . HIS A 1 58 ? 7.559 -4.961 -0.197 1.00 27.00 ? 75 HIS A N 1 ATOM 426 C CA . HIS A 1 58 ? 6.540 -3.873 -0.205 1.00 27.97 ? 75 HIS A CA 1 ATOM 427 C C . HIS A 1 58 ? 5.936 -3.680 1.183 1.00 28.29 ? 75 HIS A C 1 ATOM 428 O O . HIS A 1 58 ? 5.991 -2.587 1.743 1.00 28.30 ? 75 HIS A O 1 ATOM 429 C CB . HIS A 1 58 ? 5.430 -4.131 -1.222 1.00 28.57 ? 75 HIS A CB 1 ATOM 430 C CG . HIS A 1 58 ? 4.492 -2.991 -1.353 1.00 29.82 ? 75 HIS A CG 1 ATOM 431 N ND1 . HIS A 1 58 ? 3.138 -3.092 -1.103 1.00 32.47 ? 75 HIS A ND1 1 ATOM 432 C CD2 . HIS A 1 58 ? 4.708 -1.705 -1.701 1.00 31.12 ? 75 HIS A CD2 1 ATOM 433 C CE1 . HIS A 1 58 ? 2.560 -1.918 -1.262 1.00 33.25 ? 75 HIS A CE1 1 ATOM 434 N NE2 . HIS A 1 58 ? 3.493 -1.060 -1.653 1.00 34.59 ? 75 HIS A NE2 1 ATOM 435 N N . ASN A 1 59 ? 5.308 -4.741 1.709 1.00 28.41 ? 76 ASN A N 1 ATOM 436 C CA . ASN A 1 59 ? 4.686 -4.716 2.989 1.00 27.52 ? 76 ASN A CA 1 ATOM 437 C C . ASN A 1 59 ? 5.533 -5.504 3.969 1.00 28.78 ? 76 ASN A C 1 ATOM 438 O O . ASN A 1 59 ? 5.501 -6.782 3.997 1.00 27.59 ? 76 ASN A O 1 ATOM 439 C CB . ASN A 1 59 ? 3.319 -5.320 2.904 1.00 29.38 ? 76 ASN A CB 1 ATOM 440 C CG . ASN A 1 59 ? 2.557 -5.212 4.192 1.00 29.58 ? 76 ASN A CG 1 ATOM 441 O OD1 . ASN A 1 59 ? 3.117 -5.270 5.327 1.00 29.34 ? 76 ASN A OD1 1 ATOM 442 N ND2 . ASN A 1 59 ? 1.248 -5.025 4.035 1.00 29.98 ? 76 ASN A ND2 1 ATOM 443 N N . LEU A 1 60 ? 6.208 -4.770 4.859 1.00 28.16 ? 77 LEU A N 1 ATOM 444 C CA . LEU A 1 60 ? 7.186 -5.448 5.742 1.00 30.87 ? 77 LEU A CA 1 ATOM 445 C C . LEU A 1 60 ? 6.549 -6.392 6.778 1.00 33.33 ? 77 LEU A C 1 ATOM 446 O O . LEU A 1 60 ? 7.183 -7.321 7.142 1.00 34.38 ? 77 LEU A O 1 ATOM 447 C CB . LEU A 1 60 ? 8.140 -4.505 6.446 1.00 28.62 ? 77 LEU A CB 1 ATOM 448 C CG . LEU A 1 60 ? 8.927 -3.565 5.576 1.00 28.21 ? 77 LEU A CG 1 ATOM 449 C CD1 . LEU A 1 60 ? 9.734 -2.663 6.511 1.00 29.07 ? 77 LEU A CD1 1 ATOM 450 C CD2 . LEU A 1 60 ? 9.870 -4.367 4.723 1.00 29.88 ? 77 LEU A CD2 1 ATOM 451 N N . SER A 1 61 ? 5.282 -6.192 7.151 1.00 37.29 ? 78 SER A N 1 ATOM 452 C CA . SER A 1 61 ? 4.613 -7.033 8.147 1.00 40.39 ? 78 SER A CA 1 ATOM 453 C C . SER A 1 61 ? 4.048 -8.318 7.548 1.00 42.77 ? 78 SER A C 1 ATOM 454 O O . SER A 1 61 ? 3.392 -9.040 8.260 1.00 47.47 ? 78 SER A O 1 ATOM 455 C CB . SER A 1 61 ? 3.459 -6.258 8.766 1.00 40.57 ? 78 SER A CB 1 ATOM 456 O OG . SER A 1 61 ? 2.487 -6.083 7.771 1.00 40.43 ? 78 SER A OG 1 ATOM 457 N N . ARG A 1 62 ? 4.342 -8.609 6.281 1.00 44.39 ? 79 ARG A N 1 ATOM 458 C CA . ARG A 1 62 ? 3.843 -9.770 5.532 1.00 49.19 ? 79 ARG A CA 1 ATOM 459 C C . ARG A 1 62 ? 4.978 -10.686 5.119 1.00 48.74 ? 79 ARG A C 1 ATOM 460 O O . ARG A 1 62 ? 6.088 -10.243 4.935 1.00 46.21 ? 79 ARG A O 1 ATOM 461 C CB . ARG A 1 62 ? 3.253 -9.224 4.240 1.00 53.68 ? 79 ARG A CB 1 ATOM 462 C CG . ARG A 1 62 ? 2.338 -10.118 3.445 1.00 62.31 ? 79 ARG A CG 1 ATOM 463 C CD . ARG A 1 62 ? 1.083 -9.328 3.064 1.00 68.36 ? 79 ARG A CD 1 ATOM 464 N NE . ARG A 1 62 ? 0.458 -8.816 4.300 1.00 75.40 ? 79 ARG A NE 1 ATOM 465 C CZ . ARG A 1 62 ? -0.739 -8.237 4.381 1.00 79.98 ? 79 ARG A CZ 1 ATOM 466 N NH1 . ARG A 1 62 ? -1.476 -8.060 3.289 1.00 82.24 ? 79 ARG A NH1 1 ATOM 467 N NH2 . ARG A 1 62 ? -1.203 -7.838 5.571 1.00 78.74 ? 79 ARG A NH2 1 ATOM 468 N N . ARG A 1 63 ? 4.661 -11.940 4.836 1.00 50.74 ? 80 ARG A N 1 ATOM 469 C CA . ARG A 1 63 ? 5.598 -12.853 4.201 1.00 52.34 ? 80 ARG A CA 1 ATOM 470 C C . ARG A 1 63 ? 5.449 -12.578 2.720 1.00 46.81 ? 80 ARG A C 1 ATOM 471 O O . ARG A 1 63 ? 4.334 -12.588 2.165 1.00 48.58 ? 80 ARG A O 1 ATOM 472 C CB . ARG A 1 63 ? 5.281 -14.316 4.552 1.00 60.26 ? 80 ARG A CB 1 ATOM 473 C CG . ARG A 1 63 ? 6.507 -15.239 4.593 1.00 68.29 ? 80 ARG A CG 1 ATOM 474 C CD . ARG A 1 63 ? 6.134 -16.726 4.703 1.00 75.03 ? 80 ARG A CD 1 ATOM 475 N NE . ARG A 1 63 ? 5.184 -17.087 3.635 1.00 81.59 ? 80 ARG A NE 1 ATOM 476 C CZ . ARG A 1 63 ? 3.843 -17.178 3.738 1.00 82.87 ? 80 ARG A CZ 1 ATOM 477 N NH1 . ARG A 1 63 ? 3.186 -16.971 4.898 1.00 77.94 ? 80 ARG A NH1 1 ATOM 478 N NH2 . ARG A 1 63 ? 3.145 -17.464 2.632 1.00 86.04 ? 80 ARG A NH2 1 ATOM 479 N N . GLU A 1 64 ? 6.537 -12.265 2.060 1.00 40.78 ? 81 GLU A N 1 ATOM 480 C CA . GLU A 1 64 ? 6.388 -11.794 0.711 1.00 40.63 ? 81 GLU A CA 1 ATOM 481 C C . GLU A 1 64 ? 7.289 -12.650 -0.172 1.00 43.08 ? 81 GLU A C 1 ATOM 482 O O . GLU A 1 64 ? 8.503 -12.553 -0.052 1.00 41.76 ? 81 GLU A O 1 ATOM 483 C CB . GLU A 1 64 ? 6.760 -10.319 0.630 1.00 38.16 ? 81 GLU A CB 1 ATOM 484 C CG . GLU A 1 64 ? 5.689 -9.288 1.032 1.00 35.18 ? 81 GLU A CG 1 ATOM 485 C CD . GLU A 1 64 ? 6.081 -7.881 0.673 1.00 32.55 ? 81 GLU A CD 1 ATOM 486 O OE1 . GLU A 1 64 ? 7.295 -7.550 0.867 1.00 31.39 ? 81 GLU A OE1 1 ATOM 487 O OE2 . GLU A 1 64 ? 5.241 -7.073 0.198 1.00 29.20 ? 81 GLU A OE2 1 ATOM 488 N N . PRO A 1 65 ? 6.710 -13.499 -1.059 1.00 48.14 ? 82 PRO A N 1 ATOM 489 C CA . PRO A 1 65 ? 7.545 -14.325 -1.947 1.00 46.37 ? 82 PRO A CA 1 ATOM 490 C C . PRO A 1 65 ? 8.363 -13.545 -2.980 1.00 44.02 ? 82 PRO A C 1 ATOM 491 O O . PRO A 1 65 ? 9.379 -14.030 -3.450 1.00 43.03 ? 82 PRO A O 1 ATOM 492 C CB . PRO A 1 65 ? 6.510 -15.209 -2.666 1.00 50.81 ? 82 PRO A CB 1 ATOM 493 C CG . PRO A 1 65 ? 5.291 -15.186 -1.803 1.00 50.95 ? 82 PRO A CG 1 ATOM 494 C CD . PRO A 1 65 ? 5.273 -13.817 -1.221 1.00 49.57 ? 82 PRO A CD 1 ATOM 495 N N . THR A 1 66 ? 7.947 -12.346 -3.337 1.00 41.47 ? 83 THR A N 1 ATOM 496 C CA . THR A 1 66 ? 8.763 -11.525 -4.213 1.00 41.50 ? 83 THR A CA 1 ATOM 497 C C . THR A 1 66 ? 10.171 -11.063 -3.633 1.00 41.43 ? 83 THR A C 1 ATOM 498 O O . THR A 1 66 ? 10.953 -10.426 -4.372 1.00 40.53 ? 83 THR A O 1 ATOM 499 C CB . THR A 1 66 ? 8.000 -10.227 -4.519 1.00 42.68 ? 83 THR A CB 1 ATOM 500 O OG1 . THR A 1 66 ? 7.779 -9.506 -3.284 1.00 38.80 ? 83 THR A OG1 1 ATOM 501 C CG2 . THR A 1 66 ? 6.633 -10.538 -5.242 1.00 42.31 ? 83 THR A CG2 1 ATOM 502 N N . ARG A 1 67 ? 10.476 -11.372 -2.363 1.00 37.62 ? 84 ARG A N 1 ATOM 503 C CA . ARG A 1 67 ? 11.714 -10.871 -1.733 1.00 38.07 ? 84 ARG A CA 1 ATOM 504 C C . ARG A 1 67 ? 12.927 -11.697 -2.077 1.00 37.28 ? 84 ARG A C 1 ATOM 505 O O . ARG A 1 67 ? 12.803 -12.873 -2.335 1.00 38.81 ? 84 ARG A O 1 ATOM 506 C CB . ARG A 1 67 ? 11.612 -10.857 -0.210 1.00 37.24 ? 84 ARG A CB 1 ATOM 507 C CG . ARG A 1 67 ? 10.615 -9.855 0.287 1.00 37.54 ? 84 ARG A CG 1 ATOM 508 C CD . ARG A 1 67 ? 10.550 -9.922 1.779 1.00 38.85 ? 84 ARG A CD 1 ATOM 509 N NE . ARG A 1 67 ? 9.518 -9.017 2.163 1.00 39.80 ? 84 ARG A NE 1 ATOM 510 C CZ . ARG A 1 67 ? 9.067 -8.871 3.390 1.00 43.17 ? 84 ARG A CZ 1 ATOM 511 N NH1 . ARG A 1 67 ? 9.578 -9.586 4.368 1.00 49.47 ? 84 ARG A NH1 1 ATOM 512 N NH2 . ARG A 1 67 ? 8.094 -8.012 3.654 1.00 42.71 ? 84 ARG A NH2 1 ATOM 513 N N . GLN A 1 68 ? 14.078 -11.040 -2.113 1.00 35.10 ? 85 GLN A N 1 ATOM 514 C CA . GLN A 1 68 ? 15.361 -11.663 -2.240 1.00 34.53 ? 85 GLN A CA 1 ATOM 515 C C . GLN A 1 68 ? 16.238 -11.099 -1.095 1.00 34.55 ? 85 GLN A C 1 ATOM 516 O O . GLN A 1 68 ? 16.288 -9.891 -0.904 1.00 31.86 ? 85 GLN A O 1 ATOM 517 C CB . GLN A 1 68 ? 15.951 -11.329 -3.569 1.00 34.56 ? 85 GLN A CB 1 ATOM 518 C CG . GLN A 1 68 ? 15.281 -11.969 -4.751 1.00 35.91 ? 85 GLN A CG 1 ATOM 519 C CD . GLN A 1 68 ? 15.867 -11.502 -6.042 1.00 35.23 ? 85 GLN A CD 1 ATOM 520 O OE1 . GLN A 1 68 ? 17.054 -11.605 -6.282 1.00 36.44 ? 85 GLN A OE1 1 ATOM 521 N NE2 . GLN A 1 68 ? 15.025 -11.021 -6.909 1.00 37.21 ? 85 GLN A NE2 1 ATOM 522 N N . VAL A 1 69 ? 16.901 -11.988 -0.356 1.00 34.27 ? 86 VAL A N 1 ATOM 523 C CA . VAL A 1 69 ? 17.578 -11.635 0.847 1.00 34.68 ? 86 VAL A CA 1 ATOM 524 C C . VAL A 1 69 ? 19.083 -11.920 0.679 1.00 33.85 ? 86 VAL A C 1 ATOM 525 O O . VAL A 1 69 ? 19.432 -12.972 0.203 1.00 34.80 ? 86 VAL A O 1 ATOM 526 C CB . VAL A 1 69 ? 16.905 -12.282 2.080 1.00 36.41 ? 86 VAL A CB 1 ATOM 527 C CG1 . VAL A 1 69 ? 17.604 -11.893 3.426 1.00 36.98 ? 86 VAL A CG1 1 ATOM 528 C CG2 . VAL A 1 69 ? 15.458 -11.783 2.192 1.00 37.14 ? 86 VAL A CG2 1 ATOM 529 N N . PHE A 1 70 ? 19.935 -10.894 0.947 1.00 32.85 ? 87 PHE A N 1 ATOM 530 C CA . PHE A 1 70 ? 21.437 -11.007 0.951 1.00 30.57 ? 87 PHE A CA 1 ATOM 531 C C . PHE A 1 70 ? 22.047 -10.566 2.268 1.00 29.29 ? 87 PHE A C 1 ATOM 532 O O . PHE A 1 70 ? 21.360 -9.920 3.113 1.00 27.18 ? 87 PHE A O 1 ATOM 533 C CB . PHE A 1 70 ? 22.064 -10.297 -0.255 1.00 30.72 ? 87 PHE A CB 1 ATOM 534 C CG . PHE A 1 70 ? 21.586 -10.878 -1.581 1.00 29.47 ? 87 PHE A CG 1 ATOM 535 C CD1 . PHE A 1 70 ? 20.445 -10.403 -2.178 1.00 29.54 ? 87 PHE A CD1 1 ATOM 536 C CD2 . PHE A 1 70 ? 22.250 -11.935 -2.154 1.00 31.03 ? 87 PHE A CD2 1 ATOM 537 C CE1 . PHE A 1 70 ? 19.949 -10.947 -3.345 1.00 29.92 ? 87 PHE A CE1 1 ATOM 538 C CE2 . PHE A 1 70 ? 21.807 -12.494 -3.336 1.00 31.67 ? 87 PHE A CE2 1 ATOM 539 C CZ . PHE A 1 70 ? 20.647 -11.978 -3.945 1.00 31.65 ? 87 PHE A CZ 1 ATOM 540 N N . ALA A 1 71 ? 23.257 -11.082 2.509 1.00 29.42 ? 88 ALA A N 1 ATOM 541 C CA . ALA A 1 71 ? 24.102 -10.610 3.589 1.00 29.64 ? 88 ALA A CA 1 ATOM 542 C C . ALA A 1 71 ? 25.036 -9.612 2.975 1.00 29.59 ? 88 ALA A C 1 ATOM 543 O O . ALA A 1 71 ? 25.126 -9.459 1.732 1.00 28.04 ? 88 ALA A O 1 ATOM 544 C CB . ALA A 1 71 ? 24.905 -11.765 4.246 1.00 30.13 ? 88 ALA A CB 1 ATOM 545 N N . VAL A 1 72 ? 25.743 -8.917 3.863 1.00 30.65 ? 89 VAL A N 1 ATOM 546 C CA . VAL A 1 72 ? 26.722 -7.926 3.424 1.00 30.88 ? 89 VAL A CA 1 ATOM 547 C C . VAL A 1 72 ? 28.076 -8.623 3.435 1.00 31.30 ? 89 VAL A C 1 ATOM 548 O O . VAL A 1 72 ? 28.493 -9.161 4.413 1.00 31.26 ? 89 VAL A O 1 ATOM 549 C CB . VAL A 1 72 ? 26.729 -6.700 4.340 1.00 31.02 ? 89 VAL A CB 1 ATOM 550 C CG1 . VAL A 1 72 ? 27.875 -5.750 3.950 1.00 31.63 ? 89 VAL A CG1 1 ATOM 551 C CG2 . VAL A 1 72 ? 25.355 -6.015 4.343 1.00 30.13 ? 89 VAL A CG2 1 ATOM 552 N N . GLN A 1 73 ? 28.747 -8.629 2.316 1.00 31.95 ? 90 GLN A N 1 ATOM 553 C CA . GLN A 1 73 ? 30.069 -9.159 2.239 1.00 33.02 ? 90 GLN A CA 1 ATOM 554 C C . GLN A 1 73 ? 31.111 -8.165 2.668 1.00 31.74 ? 90 GLN A C 1 ATOM 555 O O . GLN A 1 73 ? 32.024 -8.564 3.233 1.00 30.25 ? 90 GLN A O 1 ATOM 556 C CB . GLN A 1 73 ? 30.383 -9.512 0.796 1.00 35.79 ? 90 GLN A CB 1 ATOM 557 C CG . GLN A 1 73 ? 31.619 -10.372 0.672 1.00 38.46 ? 90 GLN A CG 1 ATOM 558 C CD . GLN A 1 73 ? 31.513 -11.149 -0.583 1.00 42.38 ? 90 GLN A CD 1 ATOM 559 O OE1 . GLN A 1 73 ? 32.085 -10.742 -1.566 1.00 45.40 ? 90 GLN A OE1 1 ATOM 560 N NE2 . GLN A 1 73 ? 30.671 -12.185 -0.606 1.00 42.96 ? 90 GLN A NE2 1 ATOM 561 N N . ARG A 1 74 ? 31.014 -6.908 2.241 1.00 31.04 ? 91 ARG A N 1 ATOM 562 C CA . ARG A 1 74 ? 31.831 -5.860 2.770 1.00 30.95 ? 91 ARG A CA 1 ATOM 563 C C . ARG A 1 74 ? 31.206 -4.501 2.589 1.00 28.55 ? 91 ARG A C 1 ATOM 564 O O . ARG A 1 74 ? 30.149 -4.363 1.912 1.00 27.05 ? 91 ARG A O 1 ATOM 565 C CB . ARG A 1 74 ? 33.279 -5.913 2.164 1.00 33.96 ? 91 ARG A CB 1 ATOM 566 C CG . ARG A 1 74 ? 33.443 -5.845 0.653 1.00 35.03 ? 91 ARG A CG 1 ATOM 567 C CD . ARG A 1 74 ? 34.880 -5.432 0.207 1.00 36.53 ? 91 ARG A CD 1 ATOM 568 N NE . ARG A 1 74 ? 35.082 -4.080 0.798 1.00 39.50 ? 91 ARG A NE 1 ATOM 569 C CZ . ARG A 1 74 ? 36.166 -3.296 0.751 1.00 41.18 ? 91 ARG A CZ 1 ATOM 570 N NH1 . ARG A 1 74 ? 37.229 -3.675 0.011 1.00 42.72 ? 91 ARG A NH1 1 ATOM 571 N NH2 . ARG A 1 74 ? 36.143 -2.085 1.414 1.00 38.43 ? 91 ARG A NH2 1 ATOM 572 N N . ILE A 1 75 ? 31.804 -3.522 3.245 1.00 27.41 ? 92 ILE A N 1 ATOM 573 C CA . ILE A 1 75 ? 31.360 -2.139 3.129 1.00 28.44 ? 92 ILE A CA 1 ATOM 574 C C . ILE A 1 75 ? 32.447 -1.283 2.596 1.00 26.19 ? 92 ILE A C 1 ATOM 575 O O . ILE A 1 75 ? 33.583 -1.565 2.790 1.00 26.30 ? 92 ILE A O 1 ATOM 576 C CB . ILE A 1 75 ? 30.732 -1.491 4.394 1.00 30.79 ? 92 ILE A CB 1 ATOM 577 C CG1 . ILE A 1 75 ? 31.741 -0.941 5.347 1.00 35.54 ? 92 ILE A CG1 1 ATOM 578 C CG2 . ILE A 1 75 ? 29.691 -2.409 5.056 1.00 32.39 ? 92 ILE A CG2 1 ATOM 579 C CD1 . ILE A 1 75 ? 32.802 -1.936 5.833 1.00 38.60 ? 92 ILE A CD1 1 ATOM 580 N N . PHE A 1 76 ? 32.034 -0.276 1.854 1.00 24.21 ? 93 PHE A N 1 ATOM 581 C CA . PHE A 1 76 ? 32.915 0.749 1.376 1.00 24.09 ? 93 PHE A CA 1 ATOM 582 C C . PHE A 1 76 ? 32.394 2.064 1.903 1.00 23.01 ? 93 PHE A C 1 ATOM 583 O O . PHE A 1 76 ? 31.221 2.384 1.785 1.00 19.75 ? 93 PHE A O 1 ATOM 584 C CB . PHE A 1 76 ? 32.855 0.809 -0.179 1.00 24.84 ? 93 PHE A CB 1 ATOM 585 C CG . PHE A 1 76 ? 33.397 -0.425 -0.885 1.00 24.47 ? 93 PHE A CG 1 ATOM 586 C CD1 . PHE A 1 76 ? 32.577 -1.508 -1.155 1.00 24.59 ? 93 PHE A CD1 1 ATOM 587 C CD2 . PHE A 1 76 ? 34.714 -0.466 -1.322 1.00 25.73 ? 93 PHE A CD2 1 ATOM 588 C CE1 . PHE A 1 76 ? 33.068 -2.644 -1.862 1.00 25.10 ? 93 PHE A CE1 1 ATOM 589 C CE2 . PHE A 1 76 ? 35.241 -1.584 -2.021 1.00 26.16 ? 93 PHE A CE2 1 ATOM 590 C CZ . PHE A 1 76 ? 34.410 -2.686 -2.312 1.00 25.56 ? 93 PHE A CZ 1 ATOM 591 N N . GLU A 1 77 ? 33.309 2.864 2.429 1.00 23.05 ? 94 GLU A N 1 ATOM 592 C CA . GLU A 1 77 ? 33.006 4.106 3.127 1.00 24.04 ? 94 GLU A CA 1 ATOM 593 C C . GLU A 1 77 ? 33.764 5.193 2.406 1.00 23.14 ? 94 GLU A C 1 ATOM 594 O O . GLU A 1 77 ? 34.715 4.914 1.702 1.00 22.16 ? 94 GLU A O 1 ATOM 595 C CB . GLU A 1 77 ? 33.519 3.970 4.563 1.00 27.81 ? 94 GLU A CB 1 ATOM 596 C CG . GLU A 1 77 ? 33.058 2.659 5.283 1.00 32.10 ? 94 GLU A CG 1 ATOM 597 C CD . GLU A 1 77 ? 33.731 2.419 6.692 1.00 36.82 ? 94 GLU A CD 1 ATOM 598 O OE1 . GLU A 1 77 ? 33.810 3.344 7.495 1.00 35.28 ? 94 GLU A OE1 1 ATOM 599 O OE2 . GLU A 1 77 ? 34.206 1.286 6.972 1.00 46.98 ? 94 GLU A OE2 1 ATOM 600 N N . ASN A 1 78 ? 33.353 6.432 2.591 1.00 21.95 ? 96 ASN A N 1 ATOM 601 C CA . ASN A 1 78 ? 33.973 7.543 1.955 1.00 22.27 ? 96 ASN A CA 1 ATOM 602 C C . ASN A 1 78 ? 34.071 8.811 2.801 1.00 21.18 ? 96 ASN A C 1 ATOM 603 O O . ASN A 1 78 ? 33.578 9.871 2.377 1.00 19.68 ? 96 ASN A O 1 ATOM 604 C CB . ASN A 1 78 ? 33.207 7.796 0.604 1.00 23.21 ? 96 ASN A CB 1 ATOM 605 C CG . ASN A 1 78 ? 33.899 8.751 -0.315 1.00 24.53 ? 96 ASN A CG 1 ATOM 606 O OD1 . ASN A 1 78 ? 33.227 9.426 -1.149 1.00 28.34 ? 96 ASN A OD1 1 ATOM 607 N ND2 . ASN A 1 78 ? 35.180 8.859 -0.209 1.00 23.85 ? 96 ASN A ND2 1 ATOM 608 N N . GLY A 1 79 ? 34.805 8.707 3.929 1.00 20.32 ? 97 GLY A N 1 ATOM 609 C CA . GLY A 1 79 ? 35.088 9.862 4.834 1.00 20.55 ? 97 GLY A CA 1 ATOM 610 C C . GLY A 1 79 ? 33.851 10.417 5.535 1.00 19.66 ? 97 GLY A C 1 ATOM 611 O O . GLY A 1 79 ? 33.642 11.631 5.620 1.00 19.58 ? 97 GLY A O 1 ATOM 612 N N . TYR A 1 80 ? 32.968 9.514 5.951 1.00 18.47 ? 98 TYR A N 1 ATOM 613 C CA . TYR A 1 80 ? 31.807 9.921 6.732 1.00 19.12 ? 98 TYR A CA 1 ATOM 614 C C . TYR A 1 80 ? 32.256 10.808 7.918 1.00 18.54 ? 98 TYR A C 1 ATOM 615 O O . TYR A 1 80 ? 33.155 10.448 8.594 1.00 19.71 ? 98 TYR A O 1 ATOM 616 C CB . TYR A 1 80 ? 30.999 8.695 7.157 1.00 18.31 ? 98 TYR A CB 1 ATOM 617 C CG . TYR A 1 80 ? 29.910 8.965 8.136 1.00 18.59 ? 98 TYR A CG 1 ATOM 618 C CD1 . TYR A 1 80 ? 28.990 9.951 7.919 1.00 18.70 ? 98 TYR A CD1 1 ATOM 619 C CD2 . TYR A 1 80 ? 29.797 8.184 9.324 1.00 18.44 ? 98 TYR A CD2 1 ATOM 620 C CE1 . TYR A 1 80 ? 27.921 10.155 8.778 1.00 18.21 ? 98 TYR A CE1 1 ATOM 621 C CE2 . TYR A 1 80 ? 28.730 8.377 10.192 1.00 18.46 ? 98 TYR A CE2 1 ATOM 622 C CZ . TYR A 1 80 ? 27.796 9.375 9.901 1.00 18.86 ? 98 TYR A CZ 1 ATOM 623 O OH . TYR A 1 80 ? 26.699 9.671 10.793 1.00 19.16 ? 98 TYR A OH 1 ATOM 624 N N . ASP A 1 81 ? 31.724 11.987 8.040 1.00 18.52 ? 99 ASP A N 1 ATOM 625 C CA . ASP A 1 81 ? 32.113 12.947 9.084 1.00 19.82 ? 99 ASP A CA 1 ATOM 626 C C . ASP A 1 81 ? 30.804 13.492 9.731 1.00 19.69 ? 99 ASP A C 1 ATOM 627 O O . ASP A 1 81 ? 30.264 14.514 9.346 1.00 19.42 ? 99 ASP A O 1 ATOM 628 C CB . ASP A 1 81 ? 33.032 14.007 8.554 1.00 20.93 ? 99 ASP A CB 1 ATOM 629 C CG . ASP A 1 81 ? 33.374 15.114 9.603 1.00 22.38 ? 99 ASP A CG 1 ATOM 630 O OD1 . ASP A 1 81 ? 32.901 15.076 10.769 1.00 22.73 ? 99 ASP A OD1 1 ATOM 631 O OD2 . ASP A 1 81 ? 34.086 16.035 9.225 1.00 23.52 ? 99 ASP A OD2 1 ATOM 632 N N . PRO A 1 82 ? 30.261 12.720 10.695 1.00 19.76 ? 100 PRO A N 1 ATOM 633 C CA . PRO A 1 82 ? 28.910 13.036 11.174 1.00 19.48 ? 100 PRO A CA 1 ATOM 634 C C . PRO A 1 82 ? 28.793 14.374 11.834 1.00 19.92 ? 100 PRO A C 1 ATOM 635 O O . PRO A 1 82 ? 27.780 15.040 11.667 1.00 19.75 ? 100 PRO A O 1 ATOM 636 C CB . PRO A 1 82 ? 28.604 11.924 12.174 1.00 18.42 ? 100 PRO A CB 1 ATOM 637 C CG . PRO A 1 82 ? 29.948 11.317 12.502 1.00 19.22 ? 100 PRO A CG 1 ATOM 638 C CD . PRO A 1 82 ? 30.759 11.430 11.235 1.00 19.73 ? 100 PRO A CD 1 ATOM 639 N N . VAL A 1 83 ? 29.806 14.772 12.581 1.00 21.61 ? 101 VAL A N 1 ATOM 640 C CA . VAL A 1 83 ? 29.690 16.097 13.275 1.00 21.84 ? 101 VAL A CA 1 ATOM 641 C C . VAL A 1 83 ? 29.583 17.230 12.257 1.00 21.82 ? 101 VAL A C 1 ATOM 642 O O . VAL A 1 83 ? 28.771 18.194 12.428 1.00 21.76 ? 101 VAL A O 1 ATOM 643 C CB . VAL A 1 83 ? 30.857 16.302 14.170 1.00 22.85 ? 101 VAL A CB 1 ATOM 644 C CG1 . VAL A 1 83 ? 30.766 17.654 14.797 1.00 23.61 ? 101 VAL A CG1 1 ATOM 645 C CG2 . VAL A 1 83 ? 30.927 15.186 15.236 1.00 24.15 ? 101 VAL A CG2 1 ATOM 646 N N . ASN A 1 84 ? 30.310 17.096 11.149 1.00 21.13 ? 102 ASN A N 1 ATOM 647 C CA . ASN A 1 84 ? 30.182 18.067 10.085 1.00 21.29 ? 102 ASN A CA 1 ATOM 648 C C . ASN A 1 84 ? 29.121 17.722 9.046 1.00 20.80 ? 102 ASN A C 1 ATOM 649 O O . ASN A 1 84 ? 28.926 18.513 8.079 1.00 20.81 ? 102 ASN A O 1 ATOM 650 C CB . ASN A 1 84 ? 31.564 18.353 9.449 1.00 22.36 ? 102 ASN A CB 1 ATOM 651 C CG . ASN A 1 84 ? 32.550 18.963 10.483 1.00 23.89 ? 102 ASN A CG 1 ATOM 652 O OD1 . ASN A 1 84 ? 32.279 20.024 11.014 1.00 23.78 ? 102 ASN A OD1 1 ATOM 653 N ND2 . ASN A 1 84 ? 33.551 18.213 10.884 1.00 23.89 ? 102 ASN A ND2 1 ATOM 654 N N . LEU A 1 85 ? 28.401 16.602 9.245 1.00 18.74 ? 103 LEU A N 1 ATOM 655 C CA . LEU A 1 85 ? 27.257 16.231 8.344 1.00 18.18 ? 103 LEU A CA 1 ATOM 656 C C . LEU A 1 85 ? 27.696 16.009 6.878 1.00 17.97 ? 103 LEU A C 1 ATOM 657 O O . LEU A 1 85 ? 26.905 16.186 5.977 1.00 17.14 ? 103 LEU A O 1 ATOM 658 C CB . LEU A 1 85 ? 26.107 17.212 8.475 1.00 18.60 ? 103 LEU A CB 1 ATOM 659 C CG . LEU A 1 85 ? 25.563 17.491 9.922 1.00 19.34 ? 103 LEU A CG 1 ATOM 660 C CD1 . LEU A 1 85 ? 24.670 18.715 10.140 1.00 20.17 ? 103 LEU A CD1 1 ATOM 661 C CD2 . LEU A 1 85 ? 24.830 16.325 10.512 1.00 18.79 ? 103 LEU A CD2 1 ATOM 662 N N . LEU A 1 86 ? 28.956 15.539 6.700 1.00 17.91 ? 104 LEU A N 1 ATOM 663 C CA . LEU A 1 86 ? 29.569 15.260 5.427 1.00 18.71 ? 104 LEU A CA 1 ATOM 664 C C . LEU A 1 86 ? 29.630 13.743 5.115 1.00 18.32 ? 104 LEU A C 1 ATOM 665 O O . LEU A 1 86 ? 29.847 12.923 5.994 1.00 17.21 ? 104 LEU A O 1 ATOM 666 C CB . LEU A 1 86 ? 30.996 15.884 5.363 1.00 19.27 ? 104 LEU A CB 1 ATOM 667 C CG . LEU A 1 86 ? 31.063 17.395 5.600 1.00 19.48 ? 104 LEU A CG 1 ATOM 668 C CD1 . LEU A 1 86 ? 32.530 17.825 5.624 1.00 20.95 ? 104 LEU A CD1 1 ATOM 669 C CD2 . LEU A 1 86 ? 30.312 18.178 4.541 1.00 20.39 ? 104 LEU A CD2 1 ATOM 670 N N . ASN A 1 87 ? 29.479 13.439 3.822 1.00 18.58 ? 105 ASN A N 1 ATOM 671 C CA . ASN A 1 87 ? 29.779 12.130 3.213 1.00 18.78 ? 105 ASN A CA 1 ATOM 672 C C . ASN A 1 87 ? 28.986 11.033 3.919 1.00 17.74 ? 105 ASN A C 1 ATOM 673 O O . ASN A 1 87 ? 29.538 9.990 4.342 1.00 17.19 ? 105 ASN A O 1 ATOM 674 C CB . ASN A 1 87 ? 31.242 11.772 3.200 1.00 20.93 ? 105 ASN A CB 1 ATOM 675 C CG . ASN A 1 87 ? 32.132 12.910 2.700 1.00 23.86 ? 105 ASN A CG 1 ATOM 676 O OD1 . ASN A 1 87 ? 31.740 13.641 1.852 1.00 23.48 ? 105 ASN A OD1 1 ATOM 677 N ND2 . ASN A 1 87 ? 33.234 13.156 3.423 1.00 26.59 ? 105 ASN A ND2 1 ATOM 678 N N . ASP A 1 88 ? 27.686 11.275 4.003 1.00 17.03 ? 106 ASP A N 1 ATOM 679 C CA . ASP A 1 88 ? 26.790 10.351 4.661 1.00 16.34 ? 106 ASP A CA 1 ATOM 680 C C . ASP A 1 88 ? 26.306 9.288 3.664 1.00 16.37 ? 106 ASP A C 1 ATOM 681 O O . ASP A 1 88 ? 25.104 9.164 3.329 1.00 16.85 ? 106 ASP A O 1 ATOM 682 C CB . ASP A 1 88 ? 25.668 11.095 5.370 1.00 15.48 ? 106 ASP A CB 1 ATOM 683 C CG . ASP A 1 88 ? 24.823 10.188 6.302 1.00 14.43 ? 106 ASP A CG 1 ATOM 684 O OD1 . ASP A 1 88 ? 25.224 9.066 6.552 1.00 13.68 ? 106 ASP A OD1 1 ATOM 685 O OD2 . ASP A 1 88 ? 23.712 10.595 6.726 1.00 14.21 ? 106 ASP A OD2 1 ATOM 686 N N . ILE A 1 89 ? 27.263 8.462 3.275 1.00 16.92 ? 107 ILE A N 1 ATOM 687 C CA . ILE A 1 89 ? 27.060 7.456 2.175 1.00 17.77 ? 107 ILE A CA 1 ATOM 688 C C . ILE A 1 89 ? 27.953 6.238 2.398 1.00 17.47 ? 107 ILE A C 1 ATOM 689 O O . ILE A 1 89 ? 29.067 6.378 2.910 1.00 18.27 ? 107 ILE A O 1 ATOM 690 C CB . ILE A 1 89 ? 27.323 8.061 0.793 1.00 18.37 ? 107 ILE A CB 1 ATOM 691 C CG1 . ILE A 1 89 ? 27.044 6.988 -0.244 1.00 19.10 ? 107 ILE A CG1 1 ATOM 692 C CG2 . ILE A 1 89 ? 28.788 8.559 0.654 1.00 19.17 ? 107 ILE A CG2 1 ATOM 693 C CD1 . ILE A 1 89 ? 26.913 7.590 -1.614 1.00 19.73 ? 107 ILE A CD1 1 ATOM 694 N N . VAL A 1 90 ? 27.416 5.064 2.199 1.00 17.10 ? 108 VAL A N 1 ATOM 695 C CA . VAL A 1 90 ? 28.137 3.835 2.244 1.00 18.05 ? 108 VAL A CA 1 ATOM 696 C C . VAL A 1 90 ? 27.638 2.975 1.095 1.00 18.98 ? 108 VAL A C 1 ATOM 697 O O . VAL A 1 90 ? 26.442 3.125 0.640 1.00 18.77 ? 108 VAL A O 1 ATOM 698 C CB . VAL A 1 90 ? 27.853 3.222 3.674 1.00 19.50 ? 108 VAL A CB 1 ATOM 699 C CG1 . VAL A 1 90 ? 26.439 2.718 3.851 1.00 18.66 ? 108 VAL A CG1 1 ATOM 700 C CG2 . VAL A 1 90 ? 28.744 2.084 4.005 1.00 21.84 ? 108 VAL A CG2 1 ATOM 701 N N . ILE A 1 91 ? 28.494 2.130 0.581 1.00 18.73 ? 109 ILE A N 1 ATOM 702 C CA . ILE A 1 91 ? 28.075 1.039 -0.251 1.00 19.63 ? 109 ILE A CA 1 ATOM 703 C C . ILE A 1 91 ? 28.288 -0.278 0.412 1.00 20.27 ? 109 ILE A C 1 ATOM 704 O O . ILE A 1 91 ? 29.338 -0.541 0.915 1.00 21.48 ? 109 ILE A O 1 ATOM 705 C CB . ILE A 1 91 ? 28.805 1.081 -1.657 1.00 19.75 ? 109 ILE A CB 1 ATOM 706 C CG1 . ILE A 1 91 ? 28.239 2.233 -2.444 1.00 19.88 ? 109 ILE A CG1 1 ATOM 707 C CG2 . ILE A 1 91 ? 28.622 -0.163 -2.419 1.00 19.62 ? 109 ILE A CG2 1 ATOM 708 C CD1 . ILE A 1 91 ? 28.967 2.659 -3.661 1.00 20.56 ? 109 ILE A CD1 1 ATOM 709 N N . LEU A 1 92 ? 27.277 -1.116 0.343 1.00 21.14 ? 110 LEU A N 1 ATOM 710 C CA . LEU A 1 92 ? 27.357 -2.472 0.820 1.00 22.96 ? 110 LEU A CA 1 ATOM 711 C C . LEU A 1 92 ? 27.435 -3.453 -0.313 1.00 23.65 ? 110 LEU A C 1 ATOM 712 O O . LEU A 1 92 ? 26.541 -3.514 -1.203 1.00 23.34 ? 110 LEU A O 1 ATOM 713 C CB . LEU A 1 92 ? 26.144 -2.820 1.693 1.00 25.19 ? 110 LEU A CB 1 ATOM 714 C CG . LEU A 1 92 ? 25.742 -1.772 2.743 1.00 26.16 ? 110 LEU A CG 1 ATOM 715 C CD1 . LEU A 1 92 ? 24.483 -2.276 3.407 1.00 27.68 ? 110 LEU A CD1 1 ATOM 716 C CD2 . LEU A 1 92 ? 26.820 -1.689 3.729 1.00 27.56 ? 110 LEU A CD2 1 ATOM 717 N N . GLN A 1 93 ? 28.487 -4.234 -0.295 1.00 24.22 ? 111 GLN A N 1 ATOM 718 C CA . GLN A 1 93 ? 28.623 -5.285 -1.260 1.00 25.73 ? 111 GLN A CA 1 ATOM 719 C C . GLN A 1 93 ? 27.868 -6.494 -0.753 1.00 25.81 ? 111 GLN A C 1 ATOM 720 O O . GLN A 1 93 ? 28.197 -7.001 0.328 1.00 25.99 ? 111 GLN A O 1 ATOM 721 C CB . GLN A 1 93 ? 30.074 -5.660 -1.449 1.00 26.60 ? 111 GLN A CB 1 ATOM 722 C CG . GLN A 1 93 ? 30.195 -6.784 -2.495 1.00 29.53 ? 111 GLN A CG 1 ATOM 723 C CD . GLN A 1 93 ? 31.609 -6.988 -3.001 1.00 30.32 ? 111 GLN A CD 1 ATOM 724 O OE1 . GLN A 1 93 ? 32.535 -6.222 -2.709 1.00 32.94 ? 111 GLN A OE1 1 ATOM 725 N NE2 . GLN A 1 93 ? 31.780 -8.020 -3.705 1.00 30.90 ? 111 GLN A NE2 1 ATOM 726 N N . LEU A 1 94 ? 26.941 -6.995 -1.570 1.00 26.05 ? 112 LEU A N 1 ATOM 727 C CA . LEU A 1 94 ? 26.192 -8.220 -1.239 1.00 27.09 ? 112 LEU A CA 1 ATOM 728 C C . LEU A 1 94 ? 26.990 -9.543 -1.462 1.00 28.83 ? 112 LEU A C 1 ATOM 729 O O . LEU A 1 94 ? 27.923 -9.595 -2.242 1.00 27.42 ? 112 LEU A O 1 ATOM 730 C CB . LEU A 1 94 ? 24.931 -8.247 -2.063 1.00 26.69 ? 112 LEU A CB 1 ATOM 731 C CG . LEU A 1 94 ? 24.074 -6.988 -2.038 1.00 26.66 ? 112 LEU A CG 1 ATOM 732 C CD1 . LEU A 1 94 ? 22.795 -7.240 -2.834 1.00 26.41 ? 112 LEU A CD1 1 ATOM 733 C CD2 . LEU A 1 94 ? 23.701 -6.600 -0.609 1.00 26.14 ? 112 LEU A CD2 1 ATOM 734 N N . ASN A 1 95 ? 26.566 -10.592 -0.778 1.00 31.50 ? 113 ASN A N 1 ATOM 735 C CA . ASN A 1 95 ? 27.170 -11.911 -0.831 1.00 34.40 ? 113 ASN A CA 1 ATOM 736 C C . ASN A 1 95 ? 26.676 -12.712 -2.045 1.00 36.28 ? 113 ASN A C 1 ATOM 737 O O . ASN A 1 95 ? 26.888 -13.881 -2.098 1.00 40.19 ? 113 ASN A O 1 ATOM 738 C CB . ASN A 1 95 ? 26.916 -12.670 0.505 1.00 36.66 ? 113 ASN A CB 1 ATOM 739 C CG . ASN A 1 95 ? 25.486 -13.165 0.621 1.00 40.40 ? 113 ASN A CG 1 ATOM 740 O OD1 . ASN A 1 95 ? 24.574 -12.456 0.239 1.00 37.63 ? 113 ASN A OD1 1 ATOM 741 N ND2 . ASN A 1 95 ? 25.274 -14.384 1.144 1.00 46.41 ? 113 ASN A ND2 1 ATOM 742 N N . GLY A 1 96 ? 26.065 -12.067 -3.018 1.00 34.49 ? 114 GLY A N 1 ATOM 743 C CA . GLY A 1 96 ? 25.698 -12.654 -4.253 1.00 34.53 ? 114 GLY A CA 1 ATOM 744 C C . GLY A 1 96 ? 25.078 -11.542 -5.079 1.00 34.93 ? 114 GLY A C 1 ATOM 745 O O . GLY A 1 96 ? 25.149 -10.363 -4.723 1.00 35.81 ? 114 GLY A O 1 ATOM 746 N N . SER A 1 97 ? 24.460 -11.924 -6.168 1.00 35.06 ? 115 SER A N 1 ATOM 747 C CA . SER A 1 97 ? 23.755 -11.034 -7.043 1.00 37.25 ? 115 SER A CA 1 ATOM 748 C C . SER A 1 97 ? 22.254 -11.270 -7.034 1.00 36.76 ? 115 SER A C 1 ATOM 749 O O . SER A 1 97 ? 21.776 -12.431 -7.043 1.00 37.74 ? 115 SER A O 1 ATOM 750 C CB . SER A 1 97 ? 24.230 -11.256 -8.493 1.00 36.97 ? 115 SER A CB 1 ATOM 751 O OG . SER A 1 97 ? 25.554 -10.780 -8.519 1.00 38.31 ? 115 SER A OG 1 ATOM 752 N N . ALA A 1 98 ? 21.537 -10.162 -7.113 1.00 34.41 ? 116 ALA A N 1 ATOM 753 C CA . ALA A 1 98 ? 20.109 -10.185 -7.250 1.00 33.04 ? 116 ALA A CA 1 ATOM 754 C C . ALA A 1 98 ? 19.717 -10.735 -8.641 1.00 34.30 ? 116 ALA A C 1 ATOM 755 O O . ALA A 1 98 ? 20.417 -10.486 -9.648 1.00 32.74 ? 116 ALA A O 1 ATOM 756 C CB . ALA A 1 98 ? 19.593 -8.771 -7.122 1.00 31.67 ? 116 ALA A CB 1 ATOM 757 N N . THR A 1 99 ? 18.585 -11.439 -8.678 1.00 34.70 ? 117 THR A N 1 ATOM 758 C CA . THR A 1 99 ? 17.982 -11.771 -9.946 1.00 36.60 ? 117 THR A CA 1 ATOM 759 C C . THR A 1 99 ? 17.100 -10.586 -10.228 1.00 36.04 ? 117 THR A C 1 ATOM 760 O O . THR A 1 99 ? 16.203 -10.238 -9.415 1.00 37.28 ? 117 THR A O 1 ATOM 761 C CB . THR A 1 99 ? 17.172 -13.063 -9.900 1.00 38.32 ? 117 THR A CB 1 ATOM 762 O OG1 . THR A 1 99 ? 17.845 -14.060 -9.126 1.00 40.45 ? 117 THR A OG1 1 ATOM 763 C CG2 . THR A 1 99 ? 16.960 -13.642 -11.306 1.00 41.08 ? 117 THR A CG2 1 ATOM 764 N N . ILE A 1 100 ? 17.329 -9.994 -11.388 1.00 35.55 ? 118 ILE A N 1 ATOM 765 C CA . ILE A 1 100 ? 16.612 -8.854 -11.816 1.00 35.06 ? 118 ILE A CA 1 ATOM 766 C C . ILE A 1 100 ? 15.282 -9.277 -12.371 1.00 36.28 ? 118 ILE A C 1 ATOM 767 O O . ILE A 1 100 ? 15.230 -10.136 -13.225 1.00 40.01 ? 118 ILE A O 1 ATOM 768 C CB . ILE A 1 100 ? 17.397 -8.129 -12.897 1.00 35.62 ? 118 ILE A CB 1 ATOM 769 C CG1 . ILE A 1 100 ? 18.749 -7.703 -12.341 1.00 35.66 ? 118 ILE A CG1 1 ATOM 770 C CG2 . ILE A 1 100 ? 16.600 -6.978 -13.543 1.00 34.61 ? 118 ILE A CG2 1 ATOM 771 C CD1 . ILE A 1 100 ? 18.733 -6.932 -11.035 1.00 36.39 ? 118 ILE A CD1 1 ATOM 772 N N . ASN A 1 101 ? 14.215 -8.664 -11.927 1.00 34.81 ? 119 ASN A N 1 ATOM 773 C CA . ASN A 1 101 ? 12.901 -8.961 -12.421 1.00 35.86 ? 119 ASN A CA 1 ATOM 774 C C . ASN A 1 101 ? 12.030 -7.730 -12.266 1.00 35.52 ? 119 ASN A C 1 ATOM 775 O O . ASN A 1 101 ? 12.555 -6.598 -12.265 1.00 35.27 ? 119 ASN A O 1 ATOM 776 C CB . ASN A 1 101 ? 12.308 -10.228 -11.758 1.00 36.75 ? 119 ASN A CB 1 ATOM 777 C CG . ASN A 1 101 ? 12.294 -10.164 -10.240 1.00 35.59 ? 119 ASN A CG 1 ATOM 778 O OD1 . ASN A 1 101 ? 12.641 -11.125 -9.592 1.00 36.95 ? 119 ASN A OD1 1 ATOM 779 N ND2 . ASN A 1 101 ? 11.936 -9.082 -9.680 1.00 34.11 ? 119 ASN A ND2 1 ATOM 780 N N . ALA A 1 102 ? 10.732 -7.955 -12.148 1.00 35.47 ? 120 ALA A N 1 ATOM 781 C CA . ALA A 1 102 ? 9.799 -6.910 -12.167 1.00 36.20 ? 120 ALA A CA 1 ATOM 782 C C . ALA A 1 102 ? 9.923 -6.119 -10.818 1.00 35.85 ? 120 ALA A C 1 ATOM 783 O O . ALA A 1 102 ? 9.857 -4.872 -10.808 1.00 35.17 ? 120 ALA A O 1 ATOM 784 C CB . ALA A 1 102 ? 8.399 -7.492 -12.370 1.00 38.15 ? 120 ALA A CB 1 ATOM 785 N N . ASN A 1 103 ? 10.082 -6.866 -9.729 1.00 33.99 ? 121 ASN A N 1 ATOM 786 C CA . ASN A 1 103 ? 10.195 -6.362 -8.410 1.00 33.42 ? 121 ASN A CA 1 ATOM 787 C C . ASN A 1 103 ? 11.563 -5.978 -7.871 1.00 31.89 ? 121 ASN A C 1 ATOM 788 O O . ASN A 1 103 ? 11.633 -5.479 -6.746 1.00 32.47 ? 121 ASN A O 1 ATOM 789 C CB . ASN A 1 103 ? 9.631 -7.406 -7.462 1.00 34.25 ? 121 ASN A CB 1 ATOM 790 C CG . ASN A 1 103 ? 8.275 -7.888 -7.883 1.00 35.50 ? 121 ASN A CG 1 ATOM 791 O OD1 . ASN A 1 103 ? 8.023 -9.109 -7.945 1.00 39.94 ? 121 ASN A OD1 1 ATOM 792 N ND2 . ASN A 1 103 ? 7.429 -6.973 -8.247 1.00 34.72 ? 121 ASN A ND2 1 ATOM 793 N N . VAL A 1 104 ? 12.624 -6.210 -8.636 1.00 30.19 ? 122 VAL A N 1 ATOM 794 C CA . VAL A 1 104 ? 14.028 -6.036 -8.179 1.00 29.15 ? 122 VAL A CA 1 ATOM 795 C C . VAL A 1 104 ? 14.738 -5.531 -9.396 1.00 29.79 ? 122 VAL A C 1 ATOM 796 O O . VAL A 1 104 ? 14.896 -6.269 -10.398 1.00 30.10 ? 122 VAL A O 1 ATOM 797 C CB . VAL A 1 104 ? 14.636 -7.326 -7.549 1.00 28.47 ? 122 VAL A CB 1 ATOM 798 C CG1 . VAL A 1 104 ? 16.104 -7.168 -7.235 1.00 28.21 ? 122 VAL A CG1 1 ATOM 799 C CG2 . VAL A 1 104 ? 13.834 -7.760 -6.321 1.00 28.32 ? 122 VAL A CG2 1 ATOM 800 N N . GLN A 1 105 ? 15.076 -4.244 -9.364 1.00 29.81 ? 123 GLN A N 1 ATOM 801 C CA . GLN A 1 105 ? 15.798 -3.561 -10.480 1.00 30.71 ? 123 GLN A CA 1 ATOM 802 C C . GLN A 1 105 ? 16.820 -2.613 -9.947 1.00 28.65 ? 123 GLN A C 1 ATOM 803 O O . GLN A 1 105 ? 16.643 -2.072 -8.820 1.00 27.29 ? 123 GLN A O 1 ATOM 804 C CB . GLN A 1 105 ? 14.834 -2.775 -11.371 1.00 34.19 ? 123 GLN A CB 1 ATOM 805 C CG . GLN A 1 105 ? 13.815 -3.727 -11.950 1.00 39.39 ? 123 GLN A CG 1 ATOM 806 C CD . GLN A 1 105 ? 12.941 -3.167 -13.007 1.00 45.30 ? 123 GLN A CD 1 ATOM 807 O OE1 . GLN A 1 105 ? 11.845 -3.699 -13.239 1.00 50.11 ? 123 GLN A OE1 1 ATOM 808 N NE2 . GLN A 1 105 ? 13.378 -2.093 -13.658 1.00 47.95 ? 123 GLN A NE2 1 ATOM 809 N N . VAL A 1 106 ? 17.870 -2.409 -10.731 1.00 26.71 ? 124 VAL A N 1 ATOM 810 C CA . VAL A 1 106 ? 19.020 -1.567 -10.343 1.00 26.41 ? 124 VAL A CA 1 ATOM 811 C C . VAL A 1 106 ? 18.608 -0.144 -10.659 1.00 26.56 ? 124 VAL A C 1 ATOM 812 O O . VAL A 1 106 ? 18.063 0.090 -11.673 1.00 25.10 ? 124 VAL A O 1 ATOM 813 C CB . VAL A 1 106 ? 20.272 -1.971 -11.202 1.00 27.00 ? 124 VAL A CB 1 ATOM 814 C CG1 . VAL A 1 106 ? 21.400 -0.959 -11.239 1.00 26.43 ? 124 VAL A CG1 1 ATOM 815 C CG2 . VAL A 1 106 ? 20.774 -3.343 -10.781 1.00 26.45 ? 124 VAL A CG2 1 ATOM 816 N N . ALA A 1 107 ? 18.848 0.790 -9.757 1.00 25.35 ? 125 ALA A N 1 ATOM 817 C CA . ALA A 1 107 ? 18.561 2.160 -9.979 1.00 25.92 ? 125 ALA A CA 1 ATOM 818 C C . ALA A 1 107 ? 19.570 2.827 -10.963 1.00 26.97 ? 125 ALA A C 1 ATOM 819 O O . ALA A 1 107 ? 20.698 2.345 -11.142 1.00 26.56 ? 125 ALA A O 1 ATOM 820 C CB . ALA A 1 107 ? 18.593 2.904 -8.645 1.00 25.38 ? 125 ALA A CB 1 ATOM 821 N N . GLN A 1 108 ? 19.182 4.013 -11.411 1.00 27.28 ? 126 GLN A N 1 ATOM 822 C CA . GLN A 1 108 ? 19.972 4.859 -12.254 1.00 30.28 ? 126 GLN A CA 1 ATOM 823 C C . GLN A 1 108 ? 20.420 6.072 -11.511 1.00 28.38 ? 126 GLN A C 1 ATOM 824 O O . GLN A 1 108 ? 19.591 6.679 -10.816 1.00 27.61 ? 126 GLN A O 1 ATOM 825 C CB . GLN A 1 108 ? 19.084 5.380 -13.418 1.00 34.47 ? 126 GLN A CB 1 ATOM 826 C CG . GLN A 1 108 ? 18.529 4.247 -14.255 1.00 39.47 ? 126 GLN A CG 1 ATOM 827 C CD . GLN A 1 108 ? 19.496 3.934 -15.324 1.00 47.90 ? 126 GLN A CD 1 ATOM 828 O OE1 . GLN A 1 108 ? 19.580 4.681 -16.281 1.00 58.39 ? 126 GLN A OE1 1 ATOM 829 N NE2 . GLN A 1 108 ? 20.334 2.925 -15.130 1.00 52.51 ? 126 GLN A NE2 1 ATOM 830 N N . LEU A 1 109 ? 21.656 6.509 -11.773 1.00 26.59 ? 127 LEU A N 1 ATOM 831 C CA . LEU A 1 109 ? 22.279 7.605 -11.047 1.00 26.40 ? 127 LEU A CA 1 ATOM 832 C C . LEU A 1 109 ? 22.549 8.835 -11.920 1.00 25.74 ? 127 LEU A C 1 ATOM 833 O O . LEU A 1 109 ? 22.795 8.689 -13.100 1.00 25.98 ? 127 LEU A O 1 ATOM 834 C CB . LEU A 1 109 ? 23.604 7.064 -10.524 1.00 27.01 ? 127 LEU A CB 1 ATOM 835 C CG . LEU A 1 109 ? 23.467 5.834 -9.632 1.00 27.48 ? 127 LEU A CG 1 ATOM 836 C CD1 . LEU A 1 109 ? 24.784 5.522 -8.935 1.00 28.32 ? 127 LEU A CD1 1 ATOM 837 C CD2 . LEU A 1 109 ? 22.419 6.127 -8.562 1.00 26.75 ? 127 LEU A CD2 1 ATOM 838 N N . PRO A 1 110 ? 22.570 10.034 -11.356 1.00 24.57 ? 128 PRO A N 1 ATOM 839 C CA . PRO A 1 110 ? 23.001 11.160 -12.136 1.00 24.46 ? 128 PRO A CA 1 ATOM 840 C C . PRO A 1 110 ? 24.506 11.154 -12.477 1.00 24.84 ? 128 PRO A C 1 ATOM 841 O O . PRO A 1 110 ? 25.327 10.263 -11.999 1.00 23.40 ? 128 PRO A O 1 ATOM 842 C CB . PRO A 1 110 ? 22.717 12.341 -11.221 1.00 24.29 ? 128 PRO A CB 1 ATOM 843 C CG . PRO A 1 110 ? 22.856 11.767 -9.821 1.00 24.24 ? 128 PRO A CG 1 ATOM 844 C CD . PRO A 1 110 ? 22.680 10.299 -9.897 1.00 24.90 ? 128 PRO A CD 1 ATOM 845 N N . ALA A 1 111 ? 24.845 12.152 -13.302 1.00 24.43 ? 129 ALA A N 1 ATOM 846 C CA . ALA A 1 111 ? 26.217 12.328 -13.661 1.00 25.08 ? 129 ALA A CA 1 ATOM 847 C C . ALA A 1 111 ? 26.912 12.935 -12.494 1.00 23.68 ? 129 ALA A C 1 ATOM 848 O O . ALA A 1 111 ? 26.346 13.667 -11.724 1.00 22.90 ? 129 ALA A O 1 ATOM 849 C CB . ALA A 1 111 ? 26.364 13.195 -14.939 1.00 25.74 ? 129 ALA A CB 1 ATOM 850 N N . GLN A 1 112 ? 28.194 12.668 -12.389 1.00 23.66 ? 130 GLN A N 1 ATOM 851 C CA . GLN A 1 112 ? 28.986 13.341 -11.371 1.00 23.49 ? 130 GLN A CA 1 ATOM 852 C C . GLN A 1 112 ? 28.829 14.842 -11.384 1.00 23.86 ? 130 GLN A C 1 ATOM 853 O O . GLN A 1 112 ? 28.837 15.419 -12.362 1.00 23.65 ? 130 GLN A O 1 ATOM 854 C CB . GLN A 1 112 ? 30.483 12.944 -11.495 1.00 24.33 ? 130 GLN A CB 1 ATOM 855 C CG . GLN A 1 112 ? 31.419 13.764 -10.576 1.00 24.04 ? 130 GLN A CG 1 ATOM 856 C CD . GLN A 1 112 ? 31.403 13.339 -9.160 1.00 23.15 ? 130 GLN A CD 1 ATOM 857 O OE1 . GLN A 1 112 ? 31.186 12.166 -8.828 1.00 23.17 ? 130 GLN A OE1 1 ATOM 858 N NE2 . GLN A 1 112 ? 31.612 14.281 -8.282 1.00 23.21 ? 130 GLN A NE2 1 ATOM 859 N N . GLY A 1 113 ? 28.703 15.494 -10.263 1.00 24.44 ? 131 GLY A N 1 ATOM 860 C CA . GLY A 1 113 ? 28.551 16.926 -10.227 1.00 24.83 ? 131 GLY A CA 1 ATOM 861 C C . GLY A 1 113 ? 27.177 17.463 -10.597 1.00 26.14 ? 131 GLY A C 1 ATOM 862 O O . GLY A 1 113 ? 27.058 18.664 -10.495 1.00 26.39 ? 131 GLY A O 1 ATOM 863 N N . ARG A 1 114 ? 26.160 16.688 -11.055 1.00 28.60 ? 132 ARG A N 1 ATOM 864 C CA . ARG A 1 114 ? 24.871 17.364 -11.467 1.00 31.03 ? 132 ARG A CA 1 ATOM 865 C C . ARG A 1 114 ? 24.271 18.017 -10.249 1.00 31.54 ? 132 ARG A C 1 ATOM 866 O O . ARG A 1 114 ? 24.225 17.370 -9.181 1.00 30.50 ? 132 ARG A O 1 ATOM 867 C CB . ARG A 1 114 ? 23.755 16.525 -12.178 1.00 34.84 ? 132 ARG A CB 1 ATOM 868 C CG . ARG A 1 114 ? 22.511 17.486 -12.529 1.00 38.87 ? 132 ARG A CG 1 ATOM 869 C CD . ARG A 1 114 ? 21.532 17.364 -13.745 1.00 42.24 ? 132 ARG A CD 1 ATOM 870 N NE . ARG A 1 114 ? 20.054 16.965 -13.508 1.00 43.63 ? 132 ARG A NE 1 ATOM 871 C CZ . ARG A 1 114 ? 19.550 15.691 -13.576 1.00 39.98 ? 132 ARG A CZ 1 ATOM 872 N NH1 . ARG A 1 114 ? 20.319 14.673 -13.797 1.00 43.15 ? 132 ARG A NH1 1 ATOM 873 N NH2 . ARG A 1 114 ? 18.334 15.403 -13.294 1.00 37.38 ? 132 ARG A NH2 1 ATOM 874 N N . ARG A 1 115 ? 23.950 19.302 -10.324 1.00 33.55 ? 133 ARG A N 1 ATOM 875 C CA . ARG A 1 115 ? 23.219 19.949 -9.202 1.00 36.50 ? 133 ARG A CA 1 ATOM 876 C C . ARG A 1 115 ? 21.802 20.175 -9.654 1.00 35.40 ? 133 ARG A C 1 ATOM 877 O O . ARG A 1 115 ? 21.511 20.304 -10.867 1.00 35.10 ? 133 ARG A O 1 ATOM 878 C CB . ARG A 1 115 ? 23.756 21.291 -8.736 1.00 41.27 ? 133 ARG A CB 1 ATOM 879 C CG . ARG A 1 115 ? 25.213 21.280 -8.386 1.00 46.16 ? 133 ARG A CG 1 ATOM 880 C CD . ARG A 1 115 ? 25.593 22.508 -7.564 1.00 50.12 ? 133 ARG A CD 1 ATOM 881 N NE . ARG A 1 115 ? 25.238 22.325 -6.177 1.00 50.63 ? 133 ARG A NE 1 ATOM 882 C CZ . ARG A 1 115 ? 26.022 21.903 -5.145 1.00 49.68 ? 133 ARG A CZ 1 ATOM 883 N NH1 . ARG A 1 115 ? 27.331 21.625 -5.231 1.00 47.76 ? 133 ARG A NH1 1 ATOM 884 N NH2 . ARG A 1 115 ? 25.447 21.754 -3.965 1.00 43.40 ? 133 ARG A NH2 1 ATOM 885 N N . LEU A 1 116 ? 20.909 20.132 -8.688 1.00 31.12 ? 134 LEU A N 1 ATOM 886 C CA . LEU A 1 116 ? 19.552 20.370 -8.967 1.00 28.08 ? 134 LEU A CA 1 ATOM 887 C C . LEU A 1 116 ? 19.230 21.712 -8.432 1.00 28.16 ? 134 LEU A C 1 ATOM 888 O O . LEU A 1 116 ? 19.580 22.086 -7.289 1.00 26.80 ? 134 LEU A O 1 ATOM 889 C CB . LEU A 1 116 ? 18.736 19.314 -8.281 1.00 28.08 ? 134 LEU A CB 1 ATOM 890 C CG . LEU A 1 116 ? 18.852 17.880 -8.802 1.00 27.65 ? 134 LEU A CG 1 ATOM 891 C CD1 . LEU A 1 116 ? 18.019 16.985 -7.860 1.00 28.06 ? 134 LEU A CD1 1 ATOM 892 C CD2 . LEU A 1 116 ? 18.471 17.787 -10.284 1.00 27.38 ? 134 LEU A CD2 1 ATOM 893 N N . GLY A 1 117 ? 18.501 22.466 -9.209 1.00 28.50 ? 135 GLY A N 1 ATOM 894 C CA . GLY A 1 117 ? 18.113 23.793 -8.723 1.00 28.47 ? 135 GLY A CA 1 ATOM 895 C C . GLY A 1 117 ? 16.856 23.742 -7.869 1.00 28.24 ? 135 GLY A C 1 ATOM 896 O O . GLY A 1 117 ? 16.123 22.791 -7.864 1.00 26.87 ? 135 GLY A O 1 ATOM 897 N N . ASN A 1 118 ? 16.622 24.860 -7.264 1.00 28.36 ? 136 ASN A N 1 ATOM 898 C CA . ASN A 1 118 ? 15.457 25.166 -6.499 1.00 30.27 ? 136 ASN A CA 1 ATOM 899 C C . ASN A 1 118 ? 14.167 24.869 -7.302 1.00 28.96 ? 136 ASN A C 1 ATOM 900 O O . ASN A 1 118 ? 14.068 25.206 -8.510 1.00 29.84 ? 136 ASN A O 1 ATOM 901 C CB . ASN A 1 118 ? 15.561 26.631 -6.137 1.00 32.98 ? 136 ASN A CB 1 ATOM 902 C CG . ASN A 1 118 ? 14.775 26.953 -4.987 1.00 37.31 ? 136 ASN A CG 1 ATOM 903 O OD1 . ASN A 1 118 ? 13.724 27.551 -5.146 1.00 43.97 ? 136 ASN A OD1 1 ATOM 904 N ND2 . ASN A 1 118 ? 15.209 26.510 -3.791 1.00 36.58 ? 136 ASN A ND2 1 ATOM 905 N N . GLY A 1 119 ? 13.230 24.157 -6.713 1.00 25.54 ? 137 GLY A N 1 ATOM 906 C CA . GLY A 1 119 ? 11.977 23.872 -7.375 1.00 25.95 ? 137 GLY A CA 1 ATOM 907 C C . GLY A 1 119 ? 11.900 22.567 -8.132 1.00 25.96 ? 137 GLY A C 1 ATOM 908 O O . GLY A 1 119 ? 10.800 22.175 -8.496 1.00 27.28 ? 137 GLY A O 1 ATOM 909 N N . VAL A 1 120 ? 12.993 21.825 -8.304 1.00 25.06 ? 138 VAL A N 1 ATOM 910 C CA . VAL A 1 120 ? 12.921 20.540 -8.886 1.00 24.71 ? 138 VAL A CA 1 ATOM 911 C C . VAL A 1 120 ? 12.000 19.595 -8.056 1.00 24.95 ? 138 VAL A C 1 ATOM 912 O O . VAL A 1 120 ? 12.101 19.503 -6.819 1.00 23.06 ? 138 VAL A O 1 ATOM 913 C CB . VAL A 1 120 ? 14.312 19.954 -9.118 1.00 24.76 ? 138 VAL A CB 1 ATOM 914 C CG1 . VAL A 1 120 ? 14.219 18.523 -9.634 1.00 24.78 ? 138 VAL A CG1 1 ATOM 915 C CG2 . VAL A 1 120 ? 15.091 20.763 -10.222 1.00 25.93 ? 138 VAL A CG2 1 ATOM 916 N N . GLN A 1 121 ? 11.167 18.811 -8.749 1.00 24.99 ? 139 GLN A N 1 ATOM 917 C CA . GLN A 1 121 ? 10.191 17.926 -8.108 1.00 26.21 ? 139 GLN A CA 1 ATOM 918 C C . GLN A 1 121 ? 10.780 16.566 -8.030 1.00 23.84 ? 139 GLN A C 1 ATOM 919 O O . GLN A 1 121 ? 11.256 16.027 -9.018 1.00 23.79 ? 139 GLN A O 1 ATOM 920 C CB . GLN A 1 121 ? 8.915 17.808 -8.932 1.00 29.79 ? 139 GLN A CB 1 ATOM 921 C CG . GLN A 1 121 ? 8.428 19.116 -9.441 1.00 34.15 ? 139 GLN A CG 1 ATOM 922 C CD . GLN A 1 121 ? 7.480 19.659 -8.485 1.00 39.63 ? 139 GLN A CD 1 ATOM 923 O OE1 . GLN A 1 121 ? 7.875 20.075 -7.413 1.00 42.95 ? 139 GLN A OE1 1 ATOM 924 N NE2 . GLN A 1 121 ? 6.164 19.604 -8.837 1.00 44.73 ? 139 GLN A NE2 1 ATOM 925 N N . CYS A 1 122 ? 10.739 15.988 -6.849 1.00 21.98 ? 140 CYS A N 1 ATOM 926 C CA . CYS A 1 122 ? 11.268 14.711 -6.586 1.00 21.77 ? 140 CYS A CA 1 ATOM 927 C C . CYS A 1 122 ? 10.264 13.887 -5.746 1.00 21.64 ? 140 CYS A C 1 ATOM 928 O O . CYS A 1 122 ? 9.230 14.399 -5.288 1.00 19.96 ? 140 CYS A O 1 ATOM 929 C CB . CYS A 1 122 ? 12.594 14.848 -5.746 1.00 21.97 ? 140 CYS A CB 1 ATOM 930 S SG . CYS A 1 122 ? 13.874 15.945 -6.387 1.00 23.31 ? 140 CYS A SG 1 ATOM 931 N N . LEU A 1 123 ? 10.625 12.609 -5.548 1.00 21.78 ? 141 LEU A N 1 ATOM 932 C CA . LEU A 1 123 ? 9.889 11.734 -4.711 1.00 22.12 ? 141 LEU A CA 1 ATOM 933 C C . LEU A 1 123 ? 10.829 11.167 -3.643 1.00 20.34 ? 141 LEU A C 1 ATOM 934 O O . LEU A 1 123 ? 11.864 10.556 -3.962 1.00 18.91 ? 141 LEU A O 1 ATOM 935 C CB . LEU A 1 123 ? 9.334 10.646 -5.631 1.00 24.03 ? 141 LEU A CB 1 ATOM 936 C CG . LEU A 1 123 ? 8.070 9.922 -5.123 1.00 25.72 ? 141 LEU A CG 1 ATOM 937 C CD1 . LEU A 1 123 ? 6.824 10.769 -5.096 1.00 26.33 ? 141 LEU A CD1 1 ATOM 938 C CD2 . LEU A 1 123 ? 7.808 8.695 -5.943 1.00 26.67 ? 141 LEU A CD2 1 ATOM 939 N N . ALA A 1 124 ? 10.487 11.409 -2.388 1.00 19.36 ? 142 ALA A N 1 ATOM 940 C CA . ALA A 1 124 ? 11.071 10.650 -1.269 1.00 18.32 ? 142 ALA A CA 1 ATOM 941 C C . ALA A 1 124 ? 10.313 9.397 -0.918 1.00 19.09 ? 142 ALA A C 1 ATOM 942 O O . ALA A 1 124 ? 9.141 9.250 -1.315 1.00 20.38 ? 142 ALA A O 1 ATOM 943 C CB . ALA A 1 124 ? 11.145 11.551 -0.027 1.00 17.97 ? 142 ALA A CB 1 ATOM 944 N N . MET A 1 125 ? 10.922 8.465 -0.145 1.00 18.75 ? 143 MET A N 1 ATOM 945 C CA . MET A 1 125 ? 10.213 7.218 0.203 1.00 18.77 ? 143 MET A CA 1 ATOM 946 C C . MET A 1 125 ? 10.934 6.472 1.309 1.00 18.28 ? 143 MET A C 1 ATOM 947 O O . MET A 1 125 ? 12.074 6.767 1.680 1.00 17.55 ? 143 MET A O 1 ATOM 948 C CB . MET A 1 125 ? 10.068 6.269 -1.017 1.00 20.07 ? 143 MET A CB 1 ATOM 949 C CG . MET A 1 125 ? 11.391 5.709 -1.605 1.00 20.47 ? 143 MET A CG 1 ATOM 950 S SD . MET A 1 125 ? 11.426 4.871 -3.242 1.00 21.40 ? 143 MET A SD 1 ATOM 951 C CE . MET A 1 125 ? 10.798 6.346 -4.136 1.00 21.97 ? 143 MET A CE 1 ATOM 952 N N . GLY A 1 126 ? 10.226 5.526 1.883 1.00 18.67 ? 144 GLY A N 1 ATOM 953 C CA . GLY A 1 126 ? 10.719 4.726 2.988 1.00 18.53 ? 144 GLY A CA 1 ATOM 954 C C . GLY A 1 126 ? 9.645 4.097 3.843 1.00 18.59 ? 144 GLY A C 1 ATOM 955 O O . GLY A 1 126 ? 8.422 4.424 3.759 1.00 19.79 ? 144 GLY A O 1 ATOM 956 N N . TRP A 1 127 ? 10.131 3.202 4.691 1.00 17.83 ? 145 TRP A N 1 ATOM 957 C CA . TRP A 1 127 ? 9.367 2.511 5.667 1.00 18.12 ? 145 TRP A CA 1 ATOM 958 C C . TRP A 1 127 ? 9.558 3.117 7.117 1.00 17.58 ? 145 TRP A C 1 ATOM 959 O O . TRP A 1 127 ? 9.244 2.466 8.089 1.00 16.82 ? 145 TRP A O 1 ATOM 960 C CB . TRP A 1 127 ? 9.794 1.036 5.661 1.00 18.63 ? 145 TRP A CB 1 ATOM 961 C CG . TRP A 1 127 ? 9.328 0.184 4.494 1.00 19.57 ? 145 TRP A CG 1 ATOM 962 C CD1 . TRP A 1 127 ? 8.084 -0.355 4.301 1.00 20.52 ? 145 TRP A CD1 1 ATOM 963 C CD2 . TRP A 1 127 ? 10.112 -0.272 3.426 1.00 19.83 ? 145 TRP A CD2 1 ATOM 964 N NE1 . TRP A 1 127 ? 8.058 -1.135 3.193 1.00 20.28 ? 145 TRP A NE1 1 ATOM 965 C CE2 . TRP A 1 127 ? 9.300 -1.124 2.644 1.00 20.40 ? 145 TRP A CE2 1 ATOM 966 C CE3 . TRP A 1 127 ? 11.484 -0.046 3.017 1.00 19.59 ? 145 TRP A CE3 1 ATOM 967 C CZ2 . TRP A 1 127 ? 9.752 -1.694 1.460 1.00 20.18 ? 145 TRP A CZ2 1 ATOM 968 C CZ3 . TRP A 1 127 ? 11.943 -0.717 1.918 1.00 19.17 ? 145 TRP A CZ3 1 ATOM 969 C CH2 . TRP A 1 127 ? 11.045 -1.505 1.135 1.00 19.66 ? 145 TRP A CH2 1 ATOM 970 N N . GLY A 1 128 ? 10.023 4.346 7.245 1.00 17.14 ? 146 GLY A N 1 ATOM 971 C CA . GLY A 1 128 ? 10.016 5.031 8.503 1.00 17.15 ? 146 GLY A CA 1 ATOM 972 C C . GLY A 1 128 ? 8.716 5.410 9.240 1.00 17.63 ? 146 GLY A C 1 ATOM 973 O O . GLY A 1 128 ? 7.583 5.126 8.816 1.00 18.25 ? 146 GLY A O 1 ATOM 974 N N . LEU A 1 129 ? 8.919 6.066 10.372 1.00 17.15 ? 147 LEU A N 1 ATOM 975 C CA . LEU A 1 129 ? 7.869 6.442 11.235 1.00 17.44 ? 147 LEU A CA 1 ATOM 976 C C . LEU A 1 129 ? 6.968 7.412 10.441 1.00 18.18 ? 147 LEU A C 1 ATOM 977 O O . LEU A 1 129 ? 7.432 8.121 9.527 1.00 18.41 ? 147 LEU A O 1 ATOM 978 C CB . LEU A 1 129 ? 8.427 7.120 12.482 1.00 17.23 ? 147 LEU A CB 1 ATOM 979 C CG . LEU A 1 129 ? 9.237 6.315 13.452 1.00 16.71 ? 147 LEU A CG 1 ATOM 980 C CD1 . LEU A 1 129 ? 9.688 7.230 14.556 1.00 16.43 ? 147 LEU A CD1 1 ATOM 981 C CD2 . LEU A 1 129 ? 8.366 5.165 14.021 1.00 17.34 ? 147 LEU A CD2 1 ATOM 982 N N . LEU A 1 130 ? 5.690 7.440 10.821 1.00 18.43 ? 148 LEU A N 1 ATOM 983 C CA . LEU A 1 130 ? 4.721 8.277 10.216 1.00 18.85 ? 148 LEU A CA 1 ATOM 984 C C . LEU A 1 130 ? 4.516 9.569 10.968 1.00 19.39 ? 148 LEU A C 1 ATOM 985 O O . LEU A 1 130 ? 3.644 10.322 10.589 1.00 20.70 ? 148 LEU A O 1 ATOM 986 C CB . LEU A 1 130 ? 3.379 7.504 10.044 1.00 19.59 ? 148 LEU A CB 1 ATOM 987 C CG . LEU A 1 130 ? 3.398 6.093 9.397 1.00 19.74 ? 148 LEU A CG 1 ATOM 988 C CD1 . LEU A 1 130 ? 1.992 5.455 9.288 1.00 20.38 ? 148 LEU A CD1 1 ATOM 989 C CD2 . LEU A 1 130 ? 4.045 6.216 7.976 1.00 20.07 ? 148 LEU A CD2 1 ATOM 990 N N . GLY A 1 131 ? 5.299 9.871 12.025 1.00 18.93 ? 149 GLY A N 1 ATOM 991 C CA . GLY A 1 131 ? 5.107 11.047 12.783 1.00 19.02 ? 149 GLY A CA 1 ATOM 992 C C . GLY A 1 131 ? 4.378 10.798 14.134 1.00 20.13 ? 149 GLY A C 1 ATOM 993 O O . GLY A 1 131 ? 3.847 9.724 14.427 1.00 19.19 ? 149 GLY A O 1 ATOM 994 N N . ARG A 1 132 ? 4.377 11.849 14.924 1.00 20.52 ? 150 ARG A N 1 ATOM 995 C CA . ARG A 1 132 ? 3.945 11.816 16.322 1.00 22.78 ? 150 ARG A CA 1 ATOM 996 C C . ARG A 1 132 ? 2.639 11.085 16.458 1.00 24.04 ? 150 ARG A C 1 ATOM 997 O O . ARG A 1 132 ? 1.668 11.463 15.864 1.00 24.47 ? 150 ARG A O 1 ATOM 998 C CB . ARG A 1 132 ? 3.662 13.238 16.800 1.00 24.02 ? 150 ARG A CB 1 ATOM 999 C CG . ARG A 1 132 ? 3.044 13.343 18.238 1.00 25.86 ? 150 ARG A CG 1 ATOM 1000 C CD . ARG A 1 132 ? 2.872 14.822 18.584 1.00 27.17 ? 150 ARG A CD 1 ATOM 1001 N NE . ARG A 1 132 ? 1.979 15.028 19.684 1.00 28.26 ? 150 ARG A NE 1 ATOM 1002 C CZ . ARG A 1 132 ? 2.336 14.797 20.956 1.00 28.64 ? 150 ARG A CZ 1 ATOM 1003 N NH1 . ARG A 1 132 ? 3.600 14.379 21.260 1.00 25.50 ? 150 ARG A NH1 1 ATOM 1004 N NH2 . ARG A 1 132 ? 1.426 14.991 21.935 1.00 30.41 ? 150 ARG A NH2 1 ATOM 1005 N N . ASN A 1 133 ? 2.621 10.045 17.280 1.00 23.53 ? 151 ASN A N 1 ATOM 1006 C CA . ASN A 1 133 ? 1.433 9.275 17.518 1.00 25.77 ? 151 ASN A CA 1 ATOM 1007 C C . ASN A 1 133 ? 0.738 8.759 16.276 1.00 26.17 ? 151 ASN A C 1 ATOM 1008 O O . ASN A 1 133 ? -0.438 8.463 16.373 1.00 28.07 ? 151 ASN A O 1 ATOM 1009 C CB . ASN A 1 133 ? 0.369 10.012 18.387 1.00 25.16 ? 151 ASN A CB 1 ATOM 1010 C CG . ASN A 1 133 ? 0.863 10.330 19.795 1.00 25.15 ? 151 ASN A CG 1 ATOM 1011 O OD1 . ASN A 1 133 ? 0.569 11.372 20.335 1.00 27.91 ? 151 ASN A OD1 1 ATOM 1012 N ND2 . ASN A 1 133 ? 1.505 9.474 20.367 1.00 22.38 ? 151 ASN A ND2 1 ATOM 1013 N N . ARG A 1 134 ? 1.420 8.581 15.174 1.00 25.94 ? 152 ARG A N 1 ATOM 1014 C CA . ARG A 1 134 ? 0.742 7.896 14.061 1.00 27.44 ? 152 ARG A CA 1 ATOM 1015 C C . ARG A 1 134 ? 1.386 6.670 13.501 1.00 24.44 ? 152 ARG A C 1 ATOM 1016 O O . ARG A 1 134 ? 1.020 6.176 12.461 1.00 22.06 ? 152 ARG A O 1 ATOM 1017 C CB . ARG A 1 134 ? 0.334 8.870 13.046 1.00 30.24 ? 152 ARG A CB 1 ATOM 1018 C CG . ARG A 1 134 ? 1.404 9.493 12.361 1.00 31.92 ? 152 ARG A CG 1 ATOM 1019 C CD . ARG A 1 134 ? 1.082 11.012 12.393 1.00 36.29 ? 152 ARG A CD 1 ATOM 1020 N NE . ARG A 1 134 ? -0.295 11.232 12.253 1.00 37.45 ? 152 ARG A NE 1 ATOM 1021 C CZ . ARG A 1 134 ? -0.861 12.412 12.094 1.00 39.95 ? 152 ARG A CZ 1 ATOM 1022 N NH1 . ARG A 1 134 ? -0.098 13.450 12.064 1.00 43.75 ? 152 ARG A NH1 1 ATOM 1023 N NH2 . ARG A 1 134 ? -2.212 12.524 11.921 1.00 35.93 ? 152 ARG A NH2 1 ATOM 1024 N N . GLY A 1 135 ? 2.237 6.121 14.334 1.00 21.91 ? 154 GLY A N 1 ATOM 1025 C CA . GLY A 1 135 ? 2.788 4.760 14.159 1.00 22.37 ? 154 GLY A CA 1 ATOM 1026 C C . GLY A 1 135 ? 3.811 4.756 13.082 1.00 21.52 ? 154 GLY A C 1 ATOM 1027 O O . GLY A 1 135 ? 4.473 5.741 12.828 1.00 20.28 ? 154 GLY A O 1 ATOM 1028 N N . ILE A 1 136 ? 3.913 3.606 12.454 1.00 22.93 ? 155 ILE A N 1 ATOM 1029 C CA . ILE A 1 136 ? 4.964 3.252 11.542 1.00 22.83 ? 155 ILE A CA 1 ATOM 1030 C C . ILE A 1 136 ? 4.334 2.558 10.322 1.00 24.20 ? 155 ILE A C 1 ATOM 1031 O O . ILE A 1 136 ? 3.339 1.786 10.437 1.00 23.99 ? 155 ILE A O 1 ATOM 1032 C CB . ILE A 1 136 ? 6.029 2.340 12.252 1.00 21.96 ? 155 ILE A CB 1 ATOM 1033 C CG1 . ILE A 1 136 ? 7.263 2.137 11.358 1.00 22.12 ? 155 ILE A CG1 1 ATOM 1034 C CG2 . ILE A 1 136 ? 5.377 0.961 12.570 1.00 23.85 ? 155 ILE A CG2 1 ATOM 1035 C CD1 . ILE A 1 136 ? 8.500 1.515 11.989 1.00 21.17 ? 155 ILE A CD1 1 ATOM 1036 N N . ALA A 1 137 ? 5.013 2.740 9.165 1.00 24.24 ? 156 ALA A N 1 ATOM 1037 C CA . ALA A 1 137 ? 4.567 2.188 7.894 1.00 24.23 ? 156 ALA A CA 1 ATOM 1038 C C . ALA A 1 137 ? 4.666 0.657 8.019 1.00 25.01 ? 156 ALA A C 1 ATOM 1039 O O . ALA A 1 137 ? 5.601 0.135 8.671 1.00 25.53 ? 156 ALA A O 1 ATOM 1040 C CB . ALA A 1 137 ? 5.519 2.677 6.784 1.00 24.61 ? 156 ALA A CB 1 ATOM 1041 N N . SER A 1 138 ? 3.698 -0.039 7.445 1.00 26.15 ? 157 SER A N 1 ATOM 1042 C CA . SER A 1 138 ? 3.804 -1.442 6.989 1.00 26.81 ? 157 SER A CA 1 ATOM 1043 C C . SER A 1 138 ? 4.271 -1.526 5.549 1.00 25.59 ? 157 SER A C 1 ATOM 1044 O O . SER A 1 138 ? 5.186 -2.237 5.173 1.00 26.02 ? 157 SER A O 1 ATOM 1045 C CB . SER A 1 138 ? 2.390 -2.070 7.087 1.00 29.05 ? 157 SER A CB 1 ATOM 1046 O OG . SER A 1 138 ? 2.501 -2.769 8.284 1.00 33.18 ? 157 SER A OG 1 ATOM 1047 N N . VAL A 1 139 ? 3.585 -0.739 4.753 1.00 24.57 ? 158 VAL A N 1 ATOM 1048 C CA . VAL A 1 139 ? 3.719 -0.658 3.338 1.00 24.36 ? 158 VAL A CA 1 ATOM 1049 C C . VAL A 1 139 ? 4.632 0.546 3.034 1.00 22.05 ? 158 VAL A C 1 ATOM 1050 O O . VAL A 1 139 ? 4.550 1.592 3.727 1.00 21.23 ? 158 VAL A O 1 ATOM 1051 C CB . VAL A 1 139 ? 2.309 -0.422 2.775 1.00 25.37 ? 158 VAL A CB 1 ATOM 1052 C CG1 . VAL A 1 139 ? 2.370 0.022 1.369 1.00 25.26 ? 158 VAL A CG1 1 ATOM 1053 C CG2 . VAL A 1 139 ? 1.467 -1.708 2.941 1.00 27.10 ? 158 VAL A CG2 1 ATOM 1054 N N . LEU A 1 140 ? 5.527 0.367 2.082 1.00 20.97 ? 159 LEU A N 1 ATOM 1055 C CA . LEU A 1 140 ? 6.412 1.470 1.666 1.00 20.59 ? 159 LEU A CA 1 ATOM 1056 C C . LEU A 1 140 ? 5.634 2.755 1.447 1.00 20.04 ? 159 LEU A C 1 ATOM 1057 O O . LEU A 1 140 ? 4.641 2.732 0.718 1.00 19.96 ? 159 LEU A O 1 ATOM 1058 C CB . LEU A 1 140 ? 7.119 1.166 0.349 1.00 20.97 ? 159 LEU A CB 1 ATOM 1059 C CG . LEU A 1 140 ? 8.085 2.149 -0.310 1.00 20.40 ? 159 LEU A CG 1 ATOM 1060 C CD1 . LEU A 1 140 ? 9.246 2.317 0.614 1.00 19.85 ? 159 LEU A CD1 1 ATOM 1061 C CD2 . LEU A 1 140 ? 8.510 1.475 -1.629 1.00 20.99 ? 159 LEU A CD2 1 ATOM 1062 N N . GLN A 1 141 ? 6.126 3.844 2.003 1.00 18.48 ? 160 GLN A N 1 ATOM 1063 C CA . GLN A 1 141 ? 5.496 5.143 1.788 1.00 18.67 ? 160 GLN A CA 1 ATOM 1064 C C . GLN A 1 141 ? 6.319 5.947 0.774 1.00 18.73 ? 160 GLN A C 1 ATOM 1065 O O . GLN A 1 141 ? 7.564 5.782 0.671 1.00 18.03 ? 160 GLN A O 1 ATOM 1066 C CB . GLN A 1 141 ? 5.375 5.904 3.058 1.00 18.38 ? 160 GLN A CB 1 ATOM 1067 C CG . GLN A 1 141 ? 4.626 5.184 4.155 1.00 18.79 ? 160 GLN A CG 1 ATOM 1068 C CD . GLN A 1 141 ? 3.118 5.193 3.962 1.00 19.99 ? 160 GLN A CD 1 ATOM 1069 O OE1 . GLN A 1 141 ? 2.559 4.120 4.022 1.00 22.80 ? 160 GLN A OE1 1 ATOM 1070 N NE2 . GLN A 1 141 ? 2.474 6.339 3.853 1.00 18.74 ? 160 GLN A NE2 1 ATOM 1071 N N . GLU A 1 142 ? 5.644 6.834 0.056 1.00 19.18 ? 161 GLU A N 1 ATOM 1072 C CA . GLU A 1 142 ? 6.322 7.790 -0.787 1.00 19.30 ? 161 GLU A CA 1 ATOM 1073 C C . GLU A 1 142 ? 5.741 9.175 -0.515 1.00 19.62 ? 161 GLU A C 1 ATOM 1074 O O . GLU A 1 142 ? 4.698 9.289 0.133 1.00 19.68 ? 161 GLU A O 1 ATOM 1075 C CB . GLU A 1 142 ? 6.244 7.365 -2.270 1.00 19.72 ? 161 GLU A CB 1 ATOM 1076 C CG . GLU A 1 142 ? 4.873 7.529 -2.802 1.00 21.00 ? 161 GLU A CG 1 ATOM 1077 C CD . GLU A 1 142 ? 4.680 7.052 -4.242 1.00 21.67 ? 161 GLU A CD 1 ATOM 1078 O OE1 . GLU A 1 142 ? 4.941 5.921 -4.595 1.00 22.17 ? 161 GLU A OE1 1 ATOM 1079 O OE2 . GLU A 1 142 ? 4.225 7.867 -5.014 1.00 21.60 ? 161 GLU A OE2 1 ATOM 1080 N N . LEU A 1 143 ? 6.380 10.212 -1.052 1.00 19.95 ? 162 LEU A N 1 ATOM 1081 C CA . LEU A 1 143 ? 6.111 11.619 -0.728 1.00 20.78 ? 162 LEU A CA 1 ATOM 1082 C C . LEU A 1 143 ? 6.745 12.576 -1.770 1.00 21.40 ? 162 LEU A C 1 ATOM 1083 O O . LEU A 1 143 ? 7.960 12.552 -2.011 1.00 21.19 ? 162 LEU A O 1 ATOM 1084 C CB . LEU A 1 143 ? 6.669 11.958 0.628 1.00 21.26 ? 162 LEU A CB 1 ATOM 1085 C CG . LEU A 1 143 ? 6.634 13.436 1.041 1.00 21.80 ? 162 LEU A CG 1 ATOM 1086 C CD1 . LEU A 1 143 ? 5.245 13.818 1.320 1.00 23.07 ? 162 LEU A CD1 1 ATOM 1087 C CD2 . LEU A 1 143 ? 7.541 13.687 2.226 1.00 21.35 ? 162 LEU A CD2 1 ATOM 1088 N N . ASN A 1 144 ? 5.896 13.409 -2.394 1.00 21.96 ? 163 ASN A N 1 ATOM 1089 C CA . ASN A 1 144 ? 6.306 14.461 -3.318 1.00 22.09 ? 163 ASN A CA 1 ATOM 1090 C C . ASN A 1 144 ? 7.030 15.569 -2.509 1.00 21.73 ? 163 ASN A C 1 ATOM 1091 O O . ASN A 1 144 ? 6.487 16.079 -1.533 1.00 20.07 ? 163 ASN A O 1 ATOM 1092 C CB . ASN A 1 144 ? 5.078 15.065 -4.033 1.00 24.06 ? 163 ASN A CB 1 ATOM 1093 C CG . ASN A 1 144 ? 4.536 14.168 -5.120 1.00 25.42 ? 163 ASN A CG 1 ATOM 1094 O OD1 . ASN A 1 144 ? 3.880 13.156 -4.841 1.00 24.39 ? 163 ASN A OD1 1 ATOM 1095 N ND2 . ASN A 1 144 ? 4.872 14.522 -6.406 1.00 26.82 ? 163 ASN A ND2 1 ATOM 1096 N N . VAL A 1 145 ? 8.307 15.878 -2.851 1.00 21.38 ? 164 VAL A N 1 ATOM 1097 C CA . VAL A 1 145 ? 9.011 17.002 -2.191 1.00 20.62 ? 164 VAL A CA 1 ATOM 1098 C C . VAL A 1 145 ? 9.581 17.810 -3.302 1.00 21.74 ? 164 VAL A C 1 ATOM 1099 O O . VAL A 1 145 ? 9.630 17.352 -4.427 1.00 22.38 ? 164 VAL A O 1 ATOM 1100 C CB . VAL A 1 145 ? 10.078 16.459 -1.251 1.00 20.08 ? 164 VAL A CB 1 ATOM 1101 C CG1 . VAL A 1 145 ? 9.486 15.438 -0.265 1.00 20.24 ? 164 VAL A CG1 1 ATOM 1102 C CG2 . VAL A 1 145 ? 11.227 15.755 -2.000 1.00 20.50 ? 164 VAL A CG2 1 ATOM 1103 N N . THR A 1 146 ? 10.118 18.943 -2.971 1.00 21.77 ? 165 THR A N 1 ATOM 1104 C CA . THR A 1 146 ? 10.588 19.902 -3.918 1.00 22.87 ? 165 THR A CA 1 ATOM 1105 C C . THR A 1 146 ? 12.016 20.252 -3.438 1.00 22.02 ? 165 THR A C 1 ATOM 1106 O O . THR A 1 146 ? 12.208 20.476 -2.204 1.00 20.70 ? 165 THR A O 1 ATOM 1107 C CB . THR A 1 146 ? 9.736 21.167 -3.724 1.00 24.04 ? 165 THR A CB 1 ATOM 1108 O OG1 . THR A 1 146 ? 8.469 20.887 -4.230 1.00 26.44 ? 165 THR A OG1 1 ATOM 1109 C CG2 . THR A 1 146 ? 10.187 22.357 -4.485 1.00 26.18 ? 165 THR A CG2 1 ATOM 1110 N N . VAL A 1 147 ? 12.973 20.330 -4.372 1.00 21.45 ? 166 VAL A N 1 ATOM 1111 C CA . VAL A 1 147 ? 14.321 20.728 -4.053 1.00 21.77 ? 166 VAL A CA 1 ATOM 1112 C C . VAL A 1 147 ? 14.367 22.208 -3.592 1.00 22.58 ? 166 VAL A C 1 ATOM 1113 O O . VAL A 1 147 ? 13.770 23.113 -4.242 1.00 22.02 ? 166 VAL A O 1 ATOM 1114 C CB . VAL A 1 147 ? 15.276 20.451 -5.236 1.00 21.12 ? 166 VAL A CB 1 ATOM 1115 C CG1 . VAL A 1 147 ? 16.617 21.051 -4.944 1.00 20.83 ? 166 VAL A CG1 1 ATOM 1116 C CG2 . VAL A 1 147 ? 15.502 18.949 -5.306 1.00 20.73 ? 166 VAL A CG2 1 ATOM 1117 N N . VAL A 1 148 ? 15.101 22.458 -2.509 1.00 22.27 ? 167 VAL A N 1 ATOM 1118 C CA . VAL A 1 148 ? 15.364 23.835 -2.084 1.00 23.26 ? 167 VAL A CA 1 ATOM 1119 C C . VAL A 1 148 ? 16.867 24.020 -1.729 1.00 24.44 ? 167 VAL A C 1 ATOM 1120 O O . VAL A 1 148 ? 17.475 23.096 -1.182 1.00 22.94 ? 167 VAL A O 1 ATOM 1121 C CB . VAL A 1 148 ? 14.551 24.258 -0.821 1.00 23.37 ? 167 VAL A CB 1 ATOM 1122 C CG1 . VAL A 1 148 ? 13.032 24.258 -1.078 1.00 23.78 ? 167 VAL A CG1 1 ATOM 1123 C CG2 . VAL A 1 148 ? 14.865 23.411 0.383 1.00 22.04 ? 167 VAL A CG2 1 ATOM 1124 N N . THR A 1 149 ? 17.398 25.232 -1.948 1.00 26.03 ? 168 THR A N 1 ATOM 1125 C CA . THR A 1 149 ? 18.774 25.603 -1.629 1.00 28.37 ? 168 THR A CA 1 ATOM 1126 C C . THR A 1 149 ? 18.884 26.494 -0.443 1.00 29.63 ? 168 THR A C 1 ATOM 1127 O O . THR A 1 149 ? 19.901 26.531 0.208 1.00 30.83 ? 168 THR A O 1 ATOM 1128 C CB . THR A 1 149 ? 19.401 26.349 -2.815 1.00 29.60 ? 168 THR A CB 1 ATOM 1129 O OG1 . THR A 1 149 ? 18.519 27.364 -3.227 1.00 31.19 ? 168 THR A OG1 1 ATOM 1130 C CG2 . THR A 1 149 ? 19.557 25.434 -3.945 1.00 29.52 ? 168 THR A CG2 1 ATOM 1131 N N . SER A 1 150 ? 17.797 27.169 -0.092 1.00 31.08 ? 169 SER A N 1 ATOM 1132 C CA . SER A 1 150 ? 17.777 27.994 1.098 1.00 30.42 ? 169 SER A CA 1 ATOM 1133 C C . SER A 1 150 ? 17.770 27.102 2.343 1.00 29.75 ? 169 SER A C 1 ATOM 1134 O O . SER A 1 150 ? 17.079 26.062 2.383 1.00 25.76 ? 169 SER A O 1 ATOM 1135 C CB . SER A 1 150 ? 16.553 28.972 0.992 1.00 33.17 ? 169 SER A CB 1 ATOM 1136 O OG . SER A 1 150 ? 16.257 29.561 2.260 1.00 36.10 ? 169 SER A OG 1 ATOM 1137 N N . LEU A 1 151 ? 18.583 27.463 3.345 1.00 28.86 ? 170 LEU A N 1 ATOM 1138 C CA . LEU A 1 151 ? 18.722 26.702 4.612 1.00 28.64 ? 170 LEU A CA 1 ATOM 1139 C C . LEU A 1 151 ? 19.379 25.275 4.392 1.00 26.67 ? 170 LEU A C 1 ATOM 1140 O O . LEU A 1 151 ? 19.129 24.357 5.162 1.00 23.74 ? 170 LEU A O 1 ATOM 1141 C CB . LEU A 1 151 ? 17.372 26.544 5.341 1.00 29.18 ? 170 LEU A CB 1 ATOM 1142 C CG . LEU A 1 151 ? 16.471 27.747 5.606 1.00 32.94 ? 170 LEU A CG 1 ATOM 1143 C CD1 . LEU A 1 151 ? 15.336 27.421 6.585 1.00 32.68 ? 170 LEU A CD1 1 ATOM 1144 C CD2 . LEU A 1 151 ? 17.255 28.943 6.170 1.00 34.51 ? 170 LEU A CD2 1 ATOM 1145 N N . CYS A 1 152 ? 20.206 25.160 3.347 1.00 24.90 ? 172 CYS A N 1 ATOM 1146 C CA . CYS A 1 152 ? 20.807 23.906 2.938 1.00 24.14 ? 172 CYS A CA 1 ATOM 1147 C C . CYS A 1 152 ? 22.229 24.157 2.622 1.00 24.67 ? 172 CYS A C 1 ATOM 1148 O O . CYS A 1 152 ? 22.530 25.165 2.017 1.00 24.38 ? 172 CYS A O 1 ATOM 1149 C CB . CYS A 1 152 ? 20.186 23.364 1.682 1.00 24.39 ? 172 CYS A CB 1 ATOM 1150 S SG . CYS A 1 152 ? 20.601 21.643 1.323 1.00 22.20 ? 172 CYS A SG 1 ATOM 1151 N N . ARG A 1 153 ? 23.118 23.305 3.124 1.00 23.79 ? 181 ARG A N 1 ATOM 1152 C CA . ARG A 1 153 ? 24.510 23.416 2.707 1.00 22.94 ? 181 ARG A CA 1 ATOM 1153 C C . ARG A 1 153 ? 24.678 22.912 1.291 1.00 22.70 ? 181 ARG A C 1 ATOM 1154 O O . ARG A 1 153 ? 23.912 22.049 0.788 1.00 20.73 ? 181 ARG A O 1 ATOM 1155 C CB . ARG A 1 153 ? 25.378 22.586 3.648 1.00 22.95 ? 181 ARG A CB 1 ATOM 1156 C CG . ARG A 1 153 ? 25.304 23.006 5.110 1.00 22.87 ? 181 ARG A CG 1 ATOM 1157 C CD . ARG A 1 153 ? 26.030 22.024 6.008 1.00 22.48 ? 181 ARG A CD 1 ATOM 1158 N NE . ARG A 1 153 ? 25.875 22.405 7.420 1.00 23.20 ? 181 ARG A NE 1 ATOM 1159 C CZ . ARG A 1 153 ? 24.767 22.200 8.169 1.00 22.94 ? 181 ARG A CZ 1 ATOM 1160 N NH1 . ARG A 1 153 ? 23.661 21.615 7.626 1.00 22.46 ? 181 ARG A NH1 1 ATOM 1161 N NH2 . ARG A 1 153 ? 24.724 22.603 9.445 1.00 21.84 ? 181 ARG A NH2 1 ATOM 1162 N N . ARG A 1 154 ? 25.760 23.363 0.642 1.00 23.91 ? 182 ARG A N 1 ATOM 1163 C CA . ARG A 1 154 ? 26.144 22.780 -0.715 1.00 25.87 ? 182 ARG A CA 1 ATOM 1164 C C . ARG A 1 154 ? 26.563 21.336 -0.673 1.00 22.99 ? 182 ARG A C 1 ATOM 1165 O O . ARG A 1 154 ? 26.520 20.641 -1.672 1.00 22.34 ? 182 ARG A O 1 ATOM 1166 C CB . ARG A 1 154 ? 27.259 23.623 -1.354 1.00 30.94 ? 182 ARG A CB 1 ATOM 1167 C CG . ARG A 1 154 ? 26.685 25.063 -1.506 1.00 37.36 ? 182 ARG A CG 1 ATOM 1168 C CD . ARG A 1 154 ? 27.219 25.882 -2.652 1.00 46.17 ? 182 ARG A CD 1 ATOM 1169 N NE . ARG A 1 154 ? 27.219 25.128 -3.905 1.00 53.48 ? 182 ARG A NE 1 ATOM 1170 C CZ . ARG A 1 154 ? 27.418 25.672 -5.100 1.00 61.66 ? 182 ARG A CZ 1 ATOM 1171 N NH1 . ARG A 1 154 ? 27.574 26.995 -5.232 1.00 70.25 ? 182 ARG A NH1 1 ATOM 1172 N NH2 . ARG A 1 154 ? 27.450 24.898 -6.175 1.00 60.87 ? 182 ARG A NH2 1 ATOM 1173 N N . SER A 1 155 ? 26.857 20.830 0.508 1.00 20.50 ? 183 SER A N 1 ATOM 1174 C CA . SER A 1 155 ? 27.210 19.441 0.714 1.00 19.69 ? 183 SER A CA 1 ATOM 1175 C C . SER A 1 155 ? 25.988 18.553 0.947 1.00 18.77 ? 183 SER A C 1 ATOM 1176 O O . SER A 1 155 ? 26.165 17.400 1.341 1.00 19.52 ? 183 SER A O 1 ATOM 1177 C CB . SER A 1 155 ? 28.155 19.345 1.872 1.00 19.46 ? 183 SER A CB 1 ATOM 1178 O OG . SER A 1 155 ? 27.597 19.966 3.049 1.00 20.31 ? 183 SER A OG 1 ATOM 1179 N N . ASN A 1 156 ? 24.782 19.070 0.695 1.00 18.56 ? 184 ASN A N 1 ATOM 1180 C CA . ASN A 1 156 ? 23.531 18.289 0.725 1.00 18.29 ? 184 ASN A CA 1 ATOM 1181 C C . ASN A 1 156 ? 22.711 18.651 -0.450 1.00 18.86 ? 184 ASN A C 1 ATOM 1182 O O . ASN A 1 156 ? 22.922 19.713 -1.047 1.00 20.17 ? 184 ASN A O 1 ATOM 1183 C CB . ASN A 1 156 ? 22.703 18.594 2.001 1.00 17.81 ? 184 ASN A CB 1 ATOM 1184 C CG . ASN A 1 156 ? 23.300 17.949 3.258 1.00 17.19 ? 184 ASN A CG 1 ATOM 1185 O OD1 . ASN A 1 156 ? 23.737 18.632 4.202 1.00 16.58 ? 184 ASN A OD1 1 ATOM 1186 N ND2 . ASN A 1 156 ? 23.401 16.624 3.225 1.00 16.80 ? 184 ASN A ND2 1 ATOM 1187 N N . VAL A 1 157 ? 21.771 17.790 -0.781 1.00 18.99 ? 185 VAL A N 1 ATOM 1188 C CA . VAL A 1 157 ? 20.547 18.148 -1.553 1.00 19.04 ? 185 VAL A CA 1 ATOM 1189 C C . VAL A 1 157 ? 19.497 18.197 -0.478 1.00 18.12 ? 185 VAL A C 1 ATOM 1190 O O . VAL A 1 157 ? 19.385 17.233 0.262 1.00 17.14 ? 185 VAL A O 1 ATOM 1191 C CB . VAL A 1 157 ? 20.065 17.024 -2.506 1.00 19.53 ? 185 VAL A CB 1 ATOM 1192 C CG1 . VAL A 1 157 ? 18.896 17.495 -3.342 1.00 20.83 ? 185 VAL A CG1 1 ATOM 1193 C CG2 . VAL A 1 157 ? 21.165 16.637 -3.494 1.00 21.89 ? 185 VAL A CG2 1 ATOM 1194 N N . CYS A 1 158 ? 18.759 19.301 -0.385 1.00 17.91 ? 186 CYS A N 1 ATOM 1195 C CA . CYS A 1 158 ? 17.703 19.439 0.549 1.00 18.26 ? 186 CYS A CA 1 ATOM 1196 C C . CYS A 1 158 ? 16.330 19.512 -0.173 1.00 17.89 ? 186 CYS A C 1 ATOM 1197 O O . CYS A 1 158 ? 16.243 20.004 -1.300 1.00 17.07 ? 186 CYS A O 1 ATOM 1198 C CB . CYS A 1 158 ? 17.837 20.675 1.465 1.00 19.26 ? 186 CYS A CB 1 ATOM 1199 S SG . CYS A 1 158 ? 19.315 20.566 2.494 1.00 19.50 ? 186 CYS A SG 1 ATOM 1200 N N . THR A 1 159 ? 15.291 19.086 0.547 1.00 17.09 ? 187 THR A N 1 ATOM 1201 C CA . THR A 1 159 ? 13.971 19.169 0.028 1.00 17.90 ? 187 THR A CA 1 ATOM 1202 C C . THR A 1 159 ? 12.998 19.699 1.041 1.00 19.04 ? 187 THR A C 1 ATOM 1203 O O . THR A 1 159 ? 13.206 19.588 2.263 1.00 18.75 ? 187 THR A O 1 ATOM 1204 C CB . THR A 1 159 ? 13.463 17.806 -0.474 1.00 17.95 ? 187 THR A CB 1 ATOM 1205 O OG1 . THR A 1 159 ? 13.347 16.903 0.643 1.00 18.56 ? 187 THR A OG1 1 ATOM 1206 C CG2 . THR A 1 159 ? 14.370 17.174 -1.496 1.00 17.94 ? 187 THR A CG2 1 ATOM 1207 N N . LEU A 1 160 ? 11.851 20.167 0.548 1.00 19.81 ? 188 LEU A N 1 ATOM 1208 C CA . LEU A 1 160 ? 10.849 20.713 1.459 1.00 21.93 ? 188 LEU A CA 1 ATOM 1209 C C . LEU A 1 160 ? 9.445 20.524 0.858 1.00 22.51 ? 188 LEU A C 1 ATOM 1210 O O . LEU A 1 160 ? 9.315 20.446 -0.344 1.00 25.42 ? 188 LEU A O 1 ATOM 1211 C CB . LEU A 1 160 ? 11.164 22.200 1.756 1.00 22.33 ? 188 LEU A CB 1 ATOM 1212 C CG . LEU A 1 160 ? 10.245 22.918 2.689 1.00 22.89 ? 188 LEU A CG 1 ATOM 1213 C CD1 . LEU A 1 160 ? 10.658 22.574 4.109 1.00 22.27 ? 188 LEU A CD1 1 ATOM 1214 C CD2 . LEU A 1 160 ? 10.301 24.435 2.446 1.00 24.85 ? 188 LEU A CD2 1 ATOM 1215 N N . VAL A 1 161 ? 8.449 20.335 1.693 1.00 22.79 ? 189 VAL A N 1 ATOM 1216 C CA . VAL A 1 161 ? 7.060 20.247 1.303 1.00 24.24 ? 189 VAL A CA 1 ATOM 1217 C C . VAL A 1 161 ? 6.461 21.538 1.859 1.00 27.12 ? 189 VAL A C 1 ATOM 1218 O O . VAL A 1 161 ? 6.402 21.708 3.133 1.00 30.21 ? 189 VAL A O 1 ATOM 1219 C CB . VAL A 1 161 ? 6.405 18.953 1.890 1.00 23.36 ? 189 VAL A CB 1 ATOM 1220 C CG1 . VAL A 1 161 ? 4.949 18.896 1.520 1.00 24.62 ? 189 VAL A CG1 1 ATOM 1221 C CG2 . VAL A 1 161 ? 7.040 17.711 1.384 1.00 23.39 ? 189 VAL A CG2 1 ATOM 1222 N N . ARG A 1 162 ? 6.090 22.483 1.005 1.00 27.74 ? 190 ARG A N 1 ATOM 1223 C CA . ARG A 1 162 ? 5.582 23.760 1.465 1.00 29.08 ? 190 ARG A CA 1 ATOM 1224 C C . ARG A 1 162 ? 4.106 23.651 1.854 1.00 29.34 ? 190 ARG A C 1 ATOM 1225 O O . ARG A 1 162 ? 3.304 22.877 1.269 1.00 28.42 ? 190 ARG A O 1 ATOM 1226 C CB . ARG A 1 162 ? 5.793 24.876 0.386 1.00 30.94 ? 190 ARG A CB 1 ATOM 1227 C CG . ARG A 1 162 ? 7.186 25.488 0.380 0.010 30.28 ? 190 ARG A CG 1 ATOM 1228 C CD . ARG A 1 162 ? 7.363 26.486 1.515 0.010 30.38 ? 190 ARG A CD 1 ATOM 1229 N NE . ARG A 1 162 ? 8.665 27.142 1.474 0.010 30.28 ? 190 ARG A NE 1 ATOM 1230 C CZ . ARG A 1 162 ? 9.047 28.096 2.316 0.010 30.40 ? 190 ARG A CZ 1 ATOM 1231 N NH1 . ARG A 1 162 ? 8.225 28.508 3.269 0.010 30.62 ? 190 ARG A NH1 1 ATOM 1232 N NH2 . ARG A 1 162 ? 10.252 28.637 2.204 0.010 30.38 ? 190 ARG A NH2 1 ATOM 1233 N N . GLY A 1 163 ? 3.746 24.393 2.893 1.00 30.22 ? 191 GLY A N 1 ATOM 1234 C CA . GLY A 1 163 ? 2.368 24.525 3.306 1.00 32.22 ? 191 GLY A CA 1 ATOM 1235 C C . GLY A 1 163 ? 1.818 23.395 4.180 1.00 32.22 ? 191 GLY A C 1 ATOM 1236 O O . GLY A 1 163 ? 0.655 23.388 4.429 1.00 33.42 ? 191 GLY A O 1 ATOM 1237 N N . ARG A 1 164 ? 2.619 22.420 4.553 1.00 31.96 ? 192 ARG A N 1 ATOM 1238 C CA . ARG A 1 164 ? 2.164 21.346 5.395 1.00 31.97 ? 192 ARG A CA 1 ATOM 1239 C C . ARG A 1 164 ? 3.360 20.648 6.043 1.00 31.30 ? 192 ARG A C 1 ATOM 1240 O O . ARG A 1 164 ? 4.471 20.876 5.623 1.00 30.34 ? 192 ARG A O 1 ATOM 1241 C CB . ARG A 1 164 ? 1.385 20.320 4.612 1.00 32.32 ? 192 ARG A CB 1 ATOM 1242 C CG . ARG A 1 164 ? 2.042 19.626 3.466 1.00 28.35 ? 192 ARG A CG 1 ATOM 1243 C CD . ARG A 1 164 ? 1.006 18.872 2.603 1.00 26.97 ? 192 ARG A CD 1 ATOM 1244 N NE . ARG A 1 164 ? 1.674 17.808 1.792 1.00 25.77 ? 192 ARG A NE 1 ATOM 1245 C CZ . ARG A 1 164 ? 1.891 16.535 2.123 1.00 24.43 ? 192 ARG A CZ 1 ATOM 1246 N NH1 . ARG A 1 164 ? 1.476 16.038 3.264 1.00 23.89 ? 192 ARG A NH1 1 ATOM 1247 N NH2 . ARG A 1 164 ? 2.569 15.725 1.285 1.00 24.80 ? 192 ARG A NH2 1 ATOM 1248 N N . GLN A 1 165 ? 3.085 19.835 7.074 1.00 30.29 ? 194 GLN A N 1 ATOM 1249 C CA . GLN A 1 165 ? 4.070 19.201 7.920 1.00 30.35 ? 194 GLN A CA 1 ATOM 1250 C C . GLN A 1 165 ? 4.281 17.837 7.356 1.00 25.57 ? 194 GLN A C 1 ATOM 1251 O O . GLN A 1 165 ? 3.546 16.914 7.673 1.00 23.98 ? 194 GLN A O 1 ATOM 1252 C CB . GLN A 1 165 ? 3.668 19.080 9.415 1.00 34.46 ? 194 GLN A CB 1 ATOM 1253 C CG . GLN A 1 165 ? 3.551 20.403 10.214 1.00 44.15 ? 194 GLN A CG 1 ATOM 1254 C CD . GLN A 1 165 ? 2.560 21.420 9.567 1.00 55.37 ? 194 GLN A CD 1 ATOM 1255 O OE1 . GLN A 1 165 ? 1.286 21.400 9.746 1.00 58.63 ? 194 GLN A OE1 1 ATOM 1256 N NE2 . GLN A 1 165 ? 3.155 22.322 8.735 1.00 62.42 ? 194 GLN A NE2 1 ATOM 1257 N N . ALA A 1 166 ? 5.373 17.683 6.618 1.00 22.66 ? 195 ALA A N 1 ATOM 1258 C CA . ALA A 1 166 ? 5.673 16.430 5.964 1.00 20.85 ? 195 ALA A CA 1 ATOM 1259 C C . ALA A 1 166 ? 7.126 16.324 5.633 1.00 19.03 ? 195 ALA A C 1 ATOM 1260 O O . ALA A 1 166 ? 7.735 17.304 5.443 1.00 18.59 ? 195 ALA A O 1 ATOM 1261 C CB . ALA A 1 166 ? 4.816 16.285 4.697 1.00 20.44 ? 195 ALA A CB 1 ATOM 1262 N N . GLY A 1 167 ? 7.667 15.090 5.604 1.00 18.31 ? 196 GLY A N 1 ATOM 1263 C CA . GLY A 1 167 ? 9.069 14.870 5.372 1.00 17.48 ? 196 GLY A CA 1 ATOM 1264 C C . GLY A 1 167 ? 9.434 13.464 5.790 1.00 17.12 ? 196 GLY A C 1 ATOM 1265 O O . GLY A 1 167 ? 8.591 12.700 6.228 1.00 18.09 ? 196 GLY A O 1 ATOM 1266 N N . VAL A 1 168 ? 10.696 13.159 5.701 1.00 16.56 ? 197 VAL A N 1 ATOM 1267 C CA . VAL A 1 168 ? 11.263 11.929 6.147 1.00 16.53 ? 197 VAL A CA 1 ATOM 1268 C C . VAL A 1 168 ? 11.400 11.929 7.684 1.00 16.34 ? 197 VAL A C 1 ATOM 1269 O O . VAL A 1 168 ? 11.390 12.986 8.343 1.00 16.57 ? 197 VAL A O 1 ATOM 1270 C CB . VAL A 1 168 ? 12.621 11.584 5.478 1.00 17.30 ? 197 VAL A CB 1 ATOM 1271 C CG1 . VAL A 1 168 ? 12.512 11.610 3.965 1.00 18.40 ? 197 VAL A CG1 1 ATOM 1272 C CG2 . VAL A 1 168 ? 13.695 12.594 5.895 1.00 17.63 ? 197 VAL A CG2 1 ATOM 1273 N N . CYS A 1 169 ? 11.438 10.700 8.223 1.00 15.81 ? 198 CYS A N 1 ATOM 1274 C CA . CYS A 1 169 ? 11.544 10.437 9.620 1.00 15.53 ? 198 CYS A CA 1 ATOM 1275 C C . CYS A 1 169 ? 12.439 9.237 9.880 1.00 15.01 ? 198 CYS A C 1 ATOM 1276 O O . CYS A 1 169 ? 13.031 8.633 8.961 1.00 13.87 ? 198 CYS A O 1 ATOM 1277 C CB . CYS A 1 169 ? 10.149 10.325 10.250 1.00 16.42 ? 198 CYS A CB 1 ATOM 1278 S SG . CYS A 1 169 ? 10.108 10.796 11.998 1.00 17.62 ? 198 CYS A SG 1 ATOM 1279 N N . PHE A 1 170 ? 12.516 8.862 11.164 1.00 15.81 ? 199 PHE A N 1 ATOM 1280 C CA . PHE A 1 170 ? 13.380 7.807 11.619 1.00 15.72 ? 199 PHE A CA 1 ATOM 1281 C C . PHE A 1 170 ? 13.033 6.555 10.888 1.00 16.15 ? 199 PHE A C 1 ATOM 1282 O O . PHE A 1 170 ? 11.837 6.278 10.712 1.00 16.09 ? 199 PHE A O 1 ATOM 1283 C CB . PHE A 1 170 ? 13.289 7.646 13.167 1.00 15.90 ? 199 PHE A CB 1 ATOM 1284 C CG . PHE A 1 170 ? 14.076 8.636 13.900 1.00 15.41 ? 199 PHE A CG 1 ATOM 1285 C CD1 . PHE A 1 170 ? 15.432 8.361 14.244 1.00 15.73 ? 199 PHE A CD1 1 ATOM 1286 C CD2 . PHE A 1 170 ? 13.561 9.782 14.306 1.00 15.12 ? 199 PHE A CD2 1 ATOM 1287 C CE1 . PHE A 1 170 ? 16.192 9.226 14.997 1.00 14.66 ? 199 PHE A CE1 1 ATOM 1288 C CE2 . PHE A 1 170 ? 14.367 10.669 15.054 1.00 14.69 ? 199 PHE A CE2 1 ATOM 1289 C CZ . PHE A 1 170 ? 15.659 10.386 15.351 1.00 14.44 ? 199 PHE A CZ 1 ATOM 1290 N N . GLY A 1 171 ? 14.041 5.820 10.370 1.00 16.25 ? 200 GLY A N 1 ATOM 1291 C CA . GLY A 1 171 ? 13.728 4.555 9.574 1.00 16.54 ? 200 GLY A CA 1 ATOM 1292 C C . GLY A 1 171 ? 13.725 4.822 8.060 1.00 16.50 ? 200 GLY A C 1 ATOM 1293 O O . GLY A 1 171 ? 13.823 3.891 7.269 1.00 16.70 ? 200 GLY A O 1 ATOM 1294 N N . ASP A 1 172 ? 13.584 6.095 7.670 1.00 15.56 ? 201 ASP A N 1 ATOM 1295 C CA . ASP A 1 172 ? 13.715 6.493 6.319 1.00 15.70 ? 201 ASP A CA 1 ATOM 1296 C C . ASP A 1 172 ? 15.187 6.799 5.981 1.00 16.25 ? 201 ASP A C 1 ATOM 1297 O O . ASP A 1 172 ? 15.551 6.909 4.744 1.00 16.31 ? 201 ASP A O 1 ATOM 1298 C CB . ASP A 1 172 ? 12.943 7.744 5.985 1.00 15.84 ? 201 ASP A CB 1 ATOM 1299 C CG . ASP A 1 172 ? 11.406 7.565 6.139 1.00 16.40 ? 201 ASP A CG 1 ATOM 1300 O OD1 . ASP A 1 172 ? 10.888 6.501 5.834 1.00 16.84 ? 201 ASP A OD1 1 ATOM 1301 O OD2 . ASP A 1 172 ? 10.791 8.506 6.596 1.00 16.06 ? 201 ASP A OD2 1 ATOM 1302 N N . SER A 1 173 ? 16.036 6.862 7.017 1.00 15.72 ? 202 SER A N 1 ATOM 1303 C CA . SER A 1 173 ? 17.516 6.970 6.803 1.00 15.84 ? 202 SER A CA 1 ATOM 1304 C C . SER A 1 173 ? 17.974 5.977 5.739 1.00 15.32 ? 202 SER A C 1 ATOM 1305 O O . SER A 1 173 ? 17.582 4.811 5.742 1.00 15.12 ? 202 SER A O 1 ATOM 1306 C CB . SER A 1 173 ? 18.275 6.648 8.077 1.00 15.48 ? 202 SER A CB 1 ATOM 1307 O OG . SER A 1 173 ? 17.968 7.551 9.061 1.00 15.63 ? 202 SER A OG 1 ATOM 1308 N N . GLY A 1 174 ? 18.851 6.441 4.871 1.00 15.13 ? 203 GLY A N 1 ATOM 1309 C CA . GLY A 1 174 ? 19.438 5.603 3.852 1.00 15.65 ? 203 GLY A CA 1 ATOM 1310 C C . GLY A 1 174 ? 18.606 5.401 2.539 1.00 16.04 ? 203 GLY A C 1 ATOM 1311 O O . GLY A 1 174 ? 19.142 4.903 1.581 1.00 14.82 ? 203 GLY A O 1 ATOM 1312 N N . SER A 1 175 ? 17.351 5.882 2.514 1.00 16.12 ? 204 SER A N 1 ATOM 1313 C CA . SER A 1 175 ? 16.435 5.677 1.402 1.00 16.23 ? 204 SER A CA 1 ATOM 1314 C C . SER A 1 175 ? 16.716 6.695 0.332 1.00 16.76 ? 204 SER A C 1 ATOM 1315 O O . SER A 1 175 ? 17.177 7.786 0.610 1.00 16.68 ? 204 SER A O 1 ATOM 1316 C CB . SER A 1 175 ? 14.947 5.759 1.879 1.00 15.88 ? 204 SER A CB 1 ATOM 1317 O OG . SER A 1 175 ? 14.709 5.035 3.099 1.00 15.99 ? 204 SER A OG 1 ATOM 1318 N N . PRO A 1 176 ? 16.412 6.361 -0.938 1.00 17.75 ? 205 PRO A N 1 ATOM 1319 C CA . PRO A 1 176 ? 16.666 7.223 -2.072 1.00 17.76 ? 205 PRO A CA 1 ATOM 1320 C C . PRO A 1 176 ? 15.682 8.361 -2.171 1.00 18.20 ? 205 PRO A C 1 ATOM 1321 O O . PRO A 1 176 ? 14.600 8.304 -1.627 1.00 18.76 ? 205 PRO A O 1 ATOM 1322 C CB . PRO A 1 176 ? 16.431 6.328 -3.213 1.00 18.50 ? 205 PRO A CB 1 ATOM 1323 C CG . PRO A 1 176 ? 15.439 5.296 -2.727 1.00 18.62 ? 205 PRO A CG 1 ATOM 1324 C CD . PRO A 1 176 ? 15.847 5.052 -1.341 1.00 18.31 ? 205 PRO A CD 1 ATOM 1325 N N . LEU A 1 177 ? 16.157 9.451 -2.708 1.00 17.98 ? 206 LEU A N 1 ATOM 1326 C CA . LEU A 1 177 ? 15.423 10.587 -3.222 1.00 18.21 ? 206 LEU A CA 1 ATOM 1327 C C . LEU A 1 177 ? 15.579 10.462 -4.750 1.00 19.40 ? 206 LEU A C 1 ATOM 1328 O O . LEU A 1 177 ? 16.713 10.503 -5.275 1.00 18.69 ? 206 LEU A O 1 ATOM 1329 C CB . LEU A 1 177 ? 16.112 11.896 -2.786 1.00 18.11 ? 206 LEU A CB 1 ATOM 1330 C CG . LEU A 1 177 ? 15.423 13.151 -3.309 1.00 18.07 ? 206 LEU A CG 1 ATOM 1331 C CD1 . LEU A 1 177 ? 14.058 13.300 -2.610 1.00 17.80 ? 206 LEU A CD1 1 ATOM 1332 C CD2 . LEU A 1 177 ? 16.196 14.433 -3.142 1.00 17.96 ? 206 LEU A CD2 1 ATOM 1333 N N . VAL A 1 178 ? 14.438 10.292 -5.426 1.00 20.51 ? 207 VAL A N 1 ATOM 1334 C CA . VAL A 1 178 ? 14.380 10.134 -6.874 1.00 21.89 ? 207 VAL A CA 1 ATOM 1335 C C . VAL A 1 178 ? 13.879 11.421 -7.570 1.00 21.86 ? 207 VAL A C 1 ATOM 1336 O O . VAL A 1 178 ? 12.839 11.935 -7.267 1.00 21.68 ? 207 VAL A O 1 ATOM 1337 C CB . VAL A 1 178 ? 13.385 9.039 -7.233 1.00 22.68 ? 207 VAL A CB 1 ATOM 1338 C CG1 . VAL A 1 178 ? 13.489 8.762 -8.683 1.00 24.02 ? 207 VAL A CG1 1 ATOM 1339 C CG2 . VAL A 1 178 ? 13.580 7.809 -6.370 1.00 22.27 ? 207 VAL A CG2 1 ATOM 1340 N N . CYS A 1 179 ? 14.676 11.932 -8.473 1.00 22.15 ? 208 CYS A N 1 ATOM 1341 C CA . CYS A 1 179 ? 14.445 13.153 -9.146 1.00 22.21 ? 208 CYS A CA 1 ATOM 1342 C C . CYS A 1 179 ? 14.732 12.867 -10.619 1.00 23.07 ? 208 CYS A C 1 ATOM 1343 O O . CYS A 1 179 ? 15.803 12.346 -10.964 1.00 21.30 ? 208 CYS A O 1 ATOM 1344 C CB . CYS A 1 179 ? 15.317 14.253 -8.659 1.00 22.30 ? 208 CYS A CB 1 ATOM 1345 S SG . CYS A 1 179 ? 15.355 14.594 -6.848 1.00 22.80 ? 208 CYS A SG 1 ATOM 1346 N N . ASN A 1 180 ? 13.712 13.125 -11.462 1.00 24.60 ? 209 ASN A N 1 ATOM 1347 C CA . ASN A 1 180 ? 13.804 12.866 -12.908 1.00 25.61 ? 209 ASN A CA 1 ATOM 1348 C C . ASN A 1 180 ? 14.265 11.427 -13.139 1.00 25.85 ? 209 ASN A C 1 ATOM 1349 O O . ASN A 1 180 ? 15.124 11.197 -14.005 1.00 25.34 ? 209 ASN A O 1 ATOM 1350 C CB . ASN A 1 180 ? 14.798 13.845 -13.556 1.00 25.75 ? 209 ASN A CB 1 ATOM 1351 C CG . ASN A 1 180 ? 14.483 15.256 -13.215 1.00 27.01 ? 209 ASN A CG 1 ATOM 1352 O OD1 . ASN A 1 180 ? 13.359 15.666 -13.298 1.00 28.63 ? 209 ASN A OD1 1 ATOM 1353 N ND2 . ASN A 1 180 ? 15.465 16.006 -12.780 1.00 27.75 ? 209 ASN A ND2 1 ATOM 1354 N N . GLY A 1 181 ? 13.765 10.497 -12.293 1.00 24.63 ? 214 GLY A N 1 ATOM 1355 C CA . GLY A 1 181 ? 14.082 9.097 -12.437 1.00 24.74 ? 214 GLY A CA 1 ATOM 1356 C C . GLY A 1 181 ? 15.514 8.655 -12.034 1.00 24.39 ? 214 GLY A C 1 ATOM 1357 O O . GLY A 1 181 ? 15.956 7.503 -12.234 1.00 24.14 ? 214 GLY A O 1 ATOM 1358 N N . LEU A 1 182 ? 16.208 9.528 -11.362 1.00 23.41 ? 215 LEU A N 1 ATOM 1359 C CA . LEU A 1 182 ? 17.573 9.220 -10.971 1.00 23.34 ? 215 LEU A CA 1 ATOM 1360 C C . LEU A 1 182 ? 17.712 9.425 -9.451 1.00 21.31 ? 215 LEU A C 1 ATOM 1361 O O . LEU A 1 182 ? 17.005 10.262 -8.861 1.00 20.40 ? 215 LEU A O 1 ATOM 1362 C CB . LEU A 1 182 ? 18.499 10.209 -11.633 1.00 24.93 ? 215 LEU A CB 1 ATOM 1363 C CG . LEU A 1 182 ? 19.076 10.057 -13.047 1.00 26.72 ? 215 LEU A CG 1 ATOM 1364 C CD1 . LEU A 1 182 ? 18.790 8.911 -13.963 1.00 27.89 ? 215 LEU A CD1 1 ATOM 1365 C CD2 . LEU A 1 182 ? 19.084 11.388 -13.682 1.00 27.24 ? 215 LEU A CD2 1 ATOM 1366 N N . ILE A 1 183 ? 18.633 8.692 -8.853 1.00 19.99 ? 216 ILE A N 1 ATOM 1367 C CA . ILE A 1 183 ? 18.829 8.744 -7.406 1.00 19.42 ? 216 ILE A CA 1 ATOM 1368 C C . ILE A 1 183 ? 19.770 9.908 -7.064 1.00 19.67 ? 216 ILE A C 1 ATOM 1369 O O . ILE A 1 183 ? 21.029 9.811 -7.195 1.00 19.78 ? 216 ILE A O 1 ATOM 1370 C CB . ILE A 1 183 ? 19.324 7.442 -6.803 1.00 18.63 ? 216 ILE A CB 1 ATOM 1371 C CG1 . ILE A 1 183 ? 18.538 6.282 -7.375 1.00 19.15 ? 216 ILE A CG1 1 ATOM 1372 C CG2 . ILE A 1 183 ? 19.192 7.469 -5.295 1.00 17.78 ? 216 ILE A CG2 1 ATOM 1373 C CD1 . ILE A 1 183 ? 17.041 6.259 -7.207 1.00 19.44 ? 216 ILE A CD1 1 ATOM 1374 N N . HIS A 1 184 ? 19.156 11.028 -6.685 1.00 18.58 ? 217 HIS A N 1 ATOM 1375 C CA . HIS A 1 184 ? 19.971 12.137 -6.382 1.00 19.13 ? 217 HIS A CA 1 ATOM 1376 C C . HIS A 1 184 ? 20.228 12.270 -4.892 1.00 18.22 ? 217 HIS A C 1 ATOM 1377 O O . HIS A 1 184 ? 21.072 13.063 -4.488 1.00 17.96 ? 217 HIS A O 1 ATOM 1378 C CB . HIS A 1 184 ? 19.320 13.436 -6.847 1.00 19.98 ? 217 HIS A CB 1 ATOM 1379 C CG . HIS A 1 184 ? 19.499 13.719 -8.299 1.00 22.36 ? 217 HIS A CG 1 ATOM 1380 N ND1 . HIS A 1 184 ? 20.460 14.613 -8.768 1.00 22.93 ? 217 HIS A ND1 1 ATOM 1381 C CD2 . HIS A 1 184 ? 18.715 13.409 -9.357 1.00 22.19 ? 217 HIS A CD2 1 ATOM 1382 C CE1 . HIS A 1 184 ? 20.294 14.777 -10.050 1.00 23.47 ? 217 HIS A CE1 1 ATOM 1383 N NE2 . HIS A 1 184 ? 19.271 14.024 -10.429 1.00 23.68 ? 217 HIS A NE2 1 ATOM 1384 N N . GLY A 1 185 ? 19.551 11.493 -4.066 1.00 17.45 ? 218 GLY A N 1 ATOM 1385 C CA . GLY A 1 185 ? 19.765 11.677 -2.635 1.00 17.07 ? 218 GLY A CA 1 ATOM 1386 C C . GLY A 1 185 ? 19.686 10.348 -1.920 1.00 15.93 ? 218 GLY A C 1 ATOM 1387 O O . GLY A 1 185 ? 19.000 9.419 -2.366 1.00 15.62 ? 218 GLY A O 1 ATOM 1388 N N . ILE A 1 186 ? 20.241 10.411 -0.738 1.00 15.09 ? 219 ILE A N 1 ATOM 1389 C CA . ILE A 1 186 ? 20.201 9.350 0.272 1.00 14.83 ? 219 ILE A CA 1 ATOM 1390 C C . ILE A 1 186 ? 19.820 10.081 1.601 1.00 14.67 ? 219 ILE A C 1 ATOM 1391 O O . ILE A 1 186 ? 20.544 10.940 2.061 1.00 14.50 ? 219 ILE A O 1 ATOM 1392 C CB . ILE A 1 186 ? 21.554 8.715 0.421 1.00 14.99 ? 219 ILE A CB 1 ATOM 1393 C CG1 . ILE A 1 186 ? 21.920 8.032 -0.865 1.00 15.47 ? 219 ILE A CG1 1 ATOM 1394 C CG2 . ILE A 1 186 ? 21.536 7.603 1.520 1.00 14.80 ? 219 ILE A CG2 1 ATOM 1395 C CD1 . ILE A 1 186 ? 23.328 7.530 -0.753 1.00 16.21 ? 219 ILE A CD1 1 ATOM 1396 N N . ALA A 1 187 ? 18.701 9.741 2.193 1.00 15.11 ? 220 ALA A N 1 ATOM 1397 C CA . ALA A 1 187 ? 18.185 10.436 3.346 1.00 15.16 ? 220 ALA A CA 1 ATOM 1398 C C . ALA A 1 187 ? 19.212 10.432 4.478 1.00 14.99 ? 220 ALA A C 1 ATOM 1399 O O . ALA A 1 187 ? 19.730 9.342 4.931 1.00 14.90 ? 220 ALA A O 1 ATOM 1400 C CB . ALA A 1 187 ? 16.863 9.810 3.741 1.00 15.80 ? 220 ALA A CB 1 ATOM 1401 N N . SER A 1 188 ? 19.542 11.660 4.911 1.00 14.48 ? 221 SER A N 1 ATOM 1402 C CA . SER A 1 188 ? 20.613 11.829 5.853 1.00 14.77 ? 221 SER A CA 1 ATOM 1403 C C . SER A 1 188 ? 20.170 12.378 7.217 1.00 14.45 ? 221 SER A C 1 ATOM 1404 O O . SER A 1 188 ? 20.441 11.758 8.229 1.00 13.53 ? 221 SER A O 1 ATOM 1405 C CB . SER A 1 188 ? 21.750 12.758 5.279 1.00 14.91 ? 221 SER A CB 1 ATOM 1406 O OG . SER A 1 188 ? 22.867 12.696 6.174 1.00 14.71 ? 221 SER A OG 1 ATOM 1407 N N . PHE A 1 189 ? 19.609 13.570 7.239 1.00 14.35 ? 222 PHE A N 1 ATOM 1408 C CA . PHE A 1 189 ? 19.188 14.131 8.539 1.00 14.72 ? 222 PHE A CA 1 ATOM 1409 C C . PHE A 1 189 ? 18.034 15.063 8.413 1.00 15.44 ? 222 PHE A C 1 ATOM 1410 O O . PHE A 1 189 ? 17.804 15.666 7.278 1.00 16.13 ? 222 PHE A O 1 ATOM 1411 C CB . PHE A 1 189 ? 20.342 14.836 9.279 1.00 14.50 ? 222 PHE A CB 1 ATOM 1412 C CG . PHE A 1 189 ? 20.929 15.992 8.595 1.00 14.42 ? 222 PHE A CG 1 ATOM 1413 C CD1 . PHE A 1 189 ? 22.045 15.817 7.783 1.00 14.81 ? 222 PHE A CD1 1 ATOM 1414 C CD2 . PHE A 1 189 ? 20.481 17.279 8.876 1.00 14.76 ? 222 PHE A CD2 1 ATOM 1415 C CE1 . PHE A 1 189 ? 22.611 16.932 7.106 1.00 15.40 ? 222 PHE A CE1 1 ATOM 1416 C CE2 . PHE A 1 189 ? 20.995 18.382 8.236 1.00 14.96 ? 222 PHE A CE2 1 ATOM 1417 C CZ . PHE A 1 189 ? 22.087 18.224 7.377 1.00 15.52 ? 222 PHE A CZ 1 ATOM 1418 N N . VAL A 1 190 ? 17.398 15.276 9.551 1.00 14.91 ? 223 VAL A N 1 ATOM 1419 C CA . VAL A 1 190 ? 16.346 16.279 9.641 1.00 15.82 ? 223 VAL A CA 1 ATOM 1420 C C . VAL A 1 190 ? 16.694 17.385 10.666 1.00 16.07 ? 223 VAL A C 1 ATOM 1421 O O . VAL A 1 190 ? 17.493 17.216 11.534 1.00 15.11 ? 223 VAL A O 1 ATOM 1422 C CB . VAL A 1 190 ? 14.965 15.757 10.007 1.00 15.61 ? 223 VAL A CB 1 ATOM 1423 C CG1 . VAL A 1 190 ? 14.478 14.802 8.969 1.00 16.17 ? 223 VAL A CG1 1 ATOM 1424 C CG2 . VAL A 1 190 ? 14.974 15.055 11.362 1.00 15.38 ? 223 VAL A CG2 1 ATOM 1425 N N . ARG A 1 191 ? 16.061 18.510 10.486 1.00 17.76 ? 224 ARG A N 1 ATOM 1426 C CA . ARG A 1 191 ? 16.305 19.699 11.340 1.00 19.96 ? 224 ARG A CA 1 ATOM 1427 C C . ARG A 1 191 ? 14.919 20.140 11.892 1.00 19.55 ? 224 ARG A C 1 ATOM 1428 O O . ARG A 1 191 ? 13.977 20.085 11.142 1.00 18.48 ? 224 ARG A O 1 ATOM 1429 C CB . ARG A 1 191 ? 16.932 20.785 10.474 1.00 22.13 ? 224 ARG A CB 1 ATOM 1430 C CG . ARG A 1 191 ? 17.285 22.052 11.275 1.00 25.15 ? 224 ARG A CG 1 ATOM 1431 C CD . ARG A 1 191 ? 17.743 23.202 10.358 1.00 26.76 ? 224 ARG A CD 1 ATOM 1432 N NE . ARG A 1 191 ? 17.825 24.428 11.185 1.00 30.85 ? 224 ARG A NE 1 ATOM 1433 C CZ . ARG A 1 191 ? 18.168 25.647 10.728 1.00 32.35 ? 224 ARG A CZ 1 ATOM 1434 N NH1 . ARG A 1 191 ? 18.477 25.864 9.458 1.00 29.80 ? 224 ARG A NH1 1 ATOM 1435 N NH2 . ARG A 1 191 ? 18.307 26.631 11.609 1.00 34.78 ? 224 ARG A NH2 1 ATOM 1436 N N . GLY A 1 192 ? 14.808 20.487 13.172 1.00 18.39 ? 225 GLY A N 1 ATOM 1437 C CA . GLY A 1 192 ? 13.539 20.699 13.880 1.00 19.24 ? 225 GLY A CA 1 ATOM 1438 C C . GLY A 1 192 ? 12.693 19.427 14.030 1.00 19.58 ? 225 GLY A C 1 ATOM 1439 O O . GLY A 1 192 ? 11.472 19.497 14.171 1.00 20.70 ? 225 GLY A O 1 ATOM 1440 N N . GLY A 1 193 ? 13.359 18.268 13.944 1.00 18.89 ? 226 GLY A N 1 ATOM 1441 C CA . GLY A 1 193 ? 12.788 16.956 14.038 1.00 18.71 ? 226 GLY A CA 1 ATOM 1442 C C . GLY A 1 193 ? 12.058 16.679 12.724 1.00 18.72 ? 226 GLY A C 1 ATOM 1443 O O . GLY A 1 193 ? 12.191 17.426 11.765 1.00 17.94 ? 226 GLY A O 1 ATOM 1444 N N . CYS A 1 194 ? 11.273 15.605 12.703 1.00 18.21 ? 227 CYS A N 1 ATOM 1445 C CA . CYS A 1 194 ? 10.609 15.157 11.469 1.00 18.24 ? 227 CYS A CA 1 ATOM 1446 C C . CYS A 1 194 ? 9.430 16.098 11.121 1.00 19.38 ? 227 CYS A C 1 ATOM 1447 O O . CYS A 1 194 ? 8.685 16.523 12.006 1.00 18.69 ? 227 CYS A O 1 ATOM 1448 C CB . CYS A 1 194 ? 10.077 13.766 11.646 1.00 18.32 ? 227 CYS A CB 1 ATOM 1449 S SG . CYS A 1 194 ? 11.268 12.506 12.152 1.00 17.57 ? 227 CYS A SG 1 ATOM 1450 N N . ALA A 1 195 ? 9.367 16.527 9.887 1.00 19.88 ? 228 ALA A N 1 ATOM 1451 C CA . ALA A 1 195 ? 8.230 17.250 9.348 1.00 21.01 ? 228 ALA A CA 1 ATOM 1452 C C . ALA A 1 195 ? 7.972 18.528 10.067 1.00 22.29 ? 228 ALA A C 1 ATOM 1453 O O . ALA A 1 195 ? 6.822 18.844 10.408 1.00 22.77 ? 228 ALA A O 1 ATOM 1454 C CB . ALA A 1 195 ? 7.021 16.323 9.378 1.00 22.54 ? 228 ALA A CB 1 ATOM 1455 N N . SER A 1 196 ? 9.036 19.308 10.295 1.00 23.50 ? 230 SER A N 1 ATOM 1456 C CA . SER A 1 196 ? 8.887 20.564 11.057 1.00 24.85 ? 230 SER A CA 1 ATOM 1457 C C . SER A 1 196 ? 7.990 21.512 10.360 1.00 27.95 ? 230 SER A C 1 ATOM 1458 O O . SER A 1 196 ? 7.309 22.275 10.973 1.00 28.76 ? 230 SER A O 1 ATOM 1459 C CB . SER A 1 196 ? 10.197 21.248 11.287 1.00 23.77 ? 230 SER A CB 1 ATOM 1460 O OG . SER A 1 196 ? 10.817 21.560 10.069 1.00 23.47 ? 230 SER A OG 1 ATOM 1461 N N . GLY A 1 197 ? 8.050 21.543 9.053 1.00 30.72 ? 231 GLY A N 1 ATOM 1462 C CA . GLY A 1 197 ? 7.263 22.511 8.364 1.00 33.72 ? 231 GLY A CA 1 ATOM 1463 C C . GLY A 1 197 ? 8.013 23.814 8.338 1.00 35.99 ? 231 GLY A C 1 ATOM 1464 O O . GLY A 1 197 ? 7.445 24.780 7.957 1.00 43.96 ? 231 GLY A O 1 ATOM 1465 N N . LEU A 1 198 ? 9.291 23.804 8.674 1.00 35.86 ? 232 LEU A N 1 ATOM 1466 C CA . LEU A 1 198 ? 10.121 24.985 8.856 1.00 35.73 ? 232 LEU A CA 1 ATOM 1467 C C . LEU A 1 198 ? 11.481 24.777 8.175 1.00 33.65 ? 232 LEU A C 1 ATOM 1468 O O . LEU A 1 198 ? 11.953 25.666 7.484 1.00 35.46 ? 232 LEU A O 1 ATOM 1469 C CB . LEU A 1 198 ? 10.357 25.205 10.333 1.00 40.04 ? 232 LEU A CB 1 ATOM 1470 C CG . LEU A 1 198 ? 9.144 25.682 11.157 1.00 43.97 ? 232 LEU A CG 1 ATOM 1471 C CD1 . LEU A 1 198 ? 9.524 25.735 12.642 1.00 43.38 ? 232 LEU A CD1 1 ATOM 1472 C CD2 . LEU A 1 198 ? 8.720 27.047 10.628 1.00 44.85 ? 232 LEU A CD2 1 ATOM 1473 N N . TYR A 1 199 ? 12.073 23.576 8.290 1.00 28.88 ? 233 TYR A N 1 ATOM 1474 C CA . TYR A 1 199 ? 13.411 23.313 7.781 1.00 26.54 ? 233 TYR A CA 1 ATOM 1475 C C . TYR A 1 199 ? 13.367 22.191 6.751 1.00 25.17 ? 233 TYR A C 1 ATOM 1476 O O . TYR A 1 199 ? 12.649 21.144 6.967 1.00 23.71 ? 233 TYR A O 1 ATOM 1477 C CB . TYR A 1 199 ? 14.338 22.925 8.924 1.00 27.16 ? 233 TYR A CB 1 ATOM 1478 C CG . TYR A 1 199 ? 14.335 23.940 9.975 1.00 27.79 ? 233 TYR A CG 1 ATOM 1479 C CD1 . TYR A 1 199 ? 14.776 25.227 9.709 1.00 30.07 ? 233 TYR A CD1 1 ATOM 1480 C CD2 . TYR A 1 199 ? 13.789 23.664 11.242 1.00 29.52 ? 233 TYR A CD2 1 ATOM 1481 C CE1 . TYR A 1 199 ? 14.727 26.218 10.679 1.00 33.74 ? 233 TYR A CE1 1 ATOM 1482 C CE2 . TYR A 1 199 ? 13.787 24.627 12.257 1.00 29.36 ? 233 TYR A CE2 1 ATOM 1483 C CZ . TYR A 1 199 ? 14.236 25.878 11.961 1.00 31.72 ? 233 TYR A CZ 1 ATOM 1484 O OH . TYR A 1 199 ? 14.162 26.814 12.839 1.00 36.68 ? 233 TYR A OH 1 ATOM 1485 N N . PRO A 1 200 ? 14.163 22.343 5.679 1.00 22.27 ? 234 PRO A N 1 ATOM 1486 C CA . PRO A 1 200 ? 14.161 21.266 4.741 1.00 22.38 ? 234 PRO A CA 1 ATOM 1487 C C . PRO A 1 200 ? 14.810 20.054 5.286 1.00 20.19 ? 234 PRO A C 1 ATOM 1488 O O . PRO A 1 200 ? 15.567 20.126 6.244 1.00 19.68 ? 234 PRO A O 1 ATOM 1489 C CB . PRO A 1 200 ? 14.982 21.806 3.563 1.00 23.17 ? 234 PRO A CB 1 ATOM 1490 C CG . PRO A 1 200 ? 15.914 22.815 4.165 1.00 23.08 ? 234 PRO A CG 1 ATOM 1491 C CD . PRO A 1 200 ? 15.068 23.424 5.247 1.00 23.28 ? 234 PRO A CD 1 ATOM 1492 N N . ASP A 1 201 ? 14.477 18.924 4.682 1.00 19.22 ? 235 ASP A N 1 ATOM 1493 C CA . ASP A 1 201 ? 15.156 17.652 4.953 1.00 17.78 ? 235 ASP A CA 1 ATOM 1494 C C . ASP A 1 201 ? 16.477 17.594 4.085 1.00 16.75 ? 235 ASP A C 1 ATOM 1495 O O . ASP A 1 201 ? 16.487 18.076 2.949 1.00 16.11 ? 235 ASP A O 1 ATOM 1496 C CB . ASP A 1 201 ? 14.288 16.502 4.489 1.00 17.59 ? 235 ASP A CB 1 ATOM 1497 C CG . ASP A 1 201 ? 12.940 16.310 5.317 1.00 17.98 ? 235 ASP A CG 1 ATOM 1498 O OD1 . ASP A 1 201 ? 12.819 16.855 6.395 1.00 16.35 ? 235 ASP A OD1 1 ATOM 1499 O OD2 . ASP A 1 201 ? 12.040 15.568 4.780 1.00 18.64 ? 235 ASP A OD2 1 ATOM 1500 N N . ALA A 1 202 ? 17.464 16.859 4.570 1.00 15.75 ? 236 ALA A N 1 ATOM 1501 C CA . ALA A 1 202 ? 18.764 16.832 3.949 1.00 15.87 ? 236 ALA A CA 1 ATOM 1502 C C . ALA A 1 202 ? 19.136 15.450 3.606 1.00 15.51 ? 236 ALA A C 1 ATOM 1503 O O . ALA A 1 202 ? 18.952 14.489 4.362 1.00 15.16 ? 236 ALA A O 1 ATOM 1504 C CB . ALA A 1 202 ? 19.783 17.415 4.904 1.00 16.26 ? 236 ALA A CB 1 ATOM 1505 N N . PHE A 1 203 ? 19.638 15.339 2.406 1.00 15.95 ? 237 PHE A N 1 ATOM 1506 C CA . PHE A 1 203 ? 20.004 14.075 1.774 1.00 15.88 ? 237 PHE A CA 1 ATOM 1507 C C . PHE A 1 203 ? 21.454 14.148 1.395 1.00 16.31 ? 237 PHE A C 1 ATOM 1508 O O . PHE A 1 203 ? 21.945 15.168 0.925 1.00 15.98 ? 237 PHE A O 1 ATOM 1509 C CB . PHE A 1 203 ? 19.199 13.920 0.504 1.00 15.92 ? 237 PHE A CB 1 ATOM 1510 C CG . PHE A 1 203 ? 17.733 13.671 0.727 1.00 15.97 ? 237 PHE A CG 1 ATOM 1511 C CD1 . PHE A 1 203 ? 16.903 14.709 0.956 1.00 16.33 ? 237 PHE A CD1 1 ATOM 1512 C CD2 . PHE A 1 203 ? 17.223 12.406 0.664 1.00 15.60 ? 237 PHE A CD2 1 ATOM 1513 C CE1 . PHE A 1 203 ? 15.573 14.477 1.197 1.00 16.79 ? 237 PHE A CE1 1 ATOM 1514 C CE2 . PHE A 1 203 ? 15.889 12.151 0.956 1.00 15.32 ? 237 PHE A CE2 1 ATOM 1515 C CZ . PHE A 1 203 ? 15.075 13.174 1.212 1.00 15.80 ? 237 PHE A CZ 1 ATOM 1516 N N . ALA A 1 204 ? 22.149 13.045 1.563 1.00 16.83 ? 238 ALA A N 1 ATOM 1517 C CA . ALA A 1 204 ? 23.506 12.940 1.001 1.00 17.21 ? 238 ALA A CA 1 ATOM 1518 C C . ALA A 1 204 ? 23.451 13.118 -0.561 1.00 18.06 ? 238 ALA A C 1 ATOM 1519 O O . ALA A 1 204 ? 22.590 12.485 -1.272 1.00 18.31 ? 238 ALA A O 1 ATOM 1520 C CB . ALA A 1 204 ? 24.160 11.590 1.354 1.00 16.72 ? 238 ALA A CB 1 ATOM 1521 N N . PRO A 1 205 ? 24.339 13.939 -1.091 1.00 18.47 ? 239 PRO A N 1 ATOM 1522 C CA . PRO A 1 205 ? 24.232 14.338 -2.510 1.00 19.07 ? 239 PRO A CA 1 ATOM 1523 C C . PRO A 1 205 ? 24.928 13.343 -3.393 1.00 19.37 ? 239 PRO A C 1 ATOM 1524 O O . PRO A 1 205 ? 26.180 13.420 -3.660 1.00 19.61 ? 239 PRO A O 1 ATOM 1525 C CB . PRO A 1 205 ? 24.944 15.698 -2.553 1.00 19.84 ? 239 PRO A CB 1 ATOM 1526 C CG . PRO A 1 205 ? 26.009 15.582 -1.535 1.00 20.28 ? 239 PRO A CG 1 ATOM 1527 C CD . PRO A 1 205 ? 25.318 14.771 -0.376 1.00 19.40 ? 239 PRO A CD 1 ATOM 1528 N N . VAL A 1 206 ? 24.140 12.415 -3.874 1.00 18.81 ? 240 VAL A N 1 ATOM 1529 C CA . VAL A 1 206 ? 24.666 11.274 -4.627 1.00 18.97 ? 240 VAL A CA 1 ATOM 1530 C C . VAL A 1 206 ? 25.549 11.724 -5.806 1.00 19.47 ? 240 VAL A C 1 ATOM 1531 O O . VAL A 1 206 ? 26.534 11.071 -6.076 1.00 19.36 ? 240 VAL A O 1 ATOM 1532 C CB . VAL A 1 206 ? 23.574 10.377 -5.147 1.00 19.12 ? 240 VAL A CB 1 ATOM 1533 C CG1 . VAL A 1 206 ? 24.090 9.299 -6.153 1.00 19.60 ? 240 VAL A CG1 1 ATOM 1534 C CG2 . VAL A 1 206 ? 22.822 9.707 -4.010 1.00 18.70 ? 240 VAL A CG2 1 ATOM 1535 N N . ALA A 1 207 ? 25.189 12.800 -6.500 1.00 20.13 ? 241 ALA A N 1 ATOM 1536 C CA . ALA A 1 207 ? 25.945 13.253 -7.683 1.00 21.35 ? 241 ALA A CA 1 ATOM 1537 C C . ALA A 1 207 ? 27.367 13.742 -7.343 1.00 22.19 ? 241 ALA A C 1 ATOM 1538 O O . ALA A 1 207 ? 28.287 13.610 -8.155 1.00 22.80 ? 241 ALA A O 1 ATOM 1539 C CB . ALA A 1 207 ? 25.175 14.326 -8.443 1.00 21.08 ? 241 ALA A CB 1 ATOM 1540 N N . GLN A 1 208 ? 27.584 14.203 -6.115 1.00 23.03 ? 242 GLN A N 1 ATOM 1541 C CA . GLN A 1 208 ? 28.945 14.476 -5.669 1.00 23.03 ? 242 GLN A CA 1 ATOM 1542 C C . GLN A 1 208 ? 29.760 13.217 -5.527 1.00 23.57 ? 242 GLN A C 1 ATOM 1543 O O . GLN A 1 208 ? 30.980 13.330 -5.453 1.00 24.14 ? 242 GLN A O 1 ATOM 1544 C CB . GLN A 1 208 ? 28.929 15.295 -4.389 1.00 24.28 ? 242 GLN A CB 1 ATOM 1545 C CG . GLN A 1 208 ? 28.305 16.695 -4.696 1.00 26.00 ? 242 GLN A CG 1 ATOM 1546 C CD . GLN A 1 208 ? 28.177 17.555 -3.491 1.00 27.28 ? 242 GLN A CD 1 ATOM 1547 O OE1 . GLN A 1 208 ? 27.185 18.297 -3.314 1.00 31.56 ? 242 GLN A OE1 1 ATOM 1548 N NE2 . GLN A 1 208 ? 29.101 17.414 -2.602 1.00 27.18 ? 242 GLN A NE2 1 ATOM 1549 N N . PHE A 1 209 ? 29.148 12.017 -5.515 1.00 21.17 ? 243 PHE A N 1 ATOM 1550 C CA . PHE A 1 209 ? 29.893 10.793 -5.204 1.00 21.17 ? 243 PHE A CA 1 ATOM 1551 C C . PHE A 1 209 ? 29.956 9.740 -6.312 1.00 20.22 ? 243 PHE A C 1 ATOM 1552 O O . PHE A 1 209 ? 30.372 8.609 -6.058 1.00 19.56 ? 243 PHE A O 1 ATOM 1553 C CB . PHE A 1 209 ? 29.276 10.154 -3.936 1.00 20.81 ? 243 PHE A CB 1 ATOM 1554 C CG . PHE A 1 209 ? 29.246 11.104 -2.770 1.00 21.41 ? 243 PHE A CG 1 ATOM 1555 C CD1 . PHE A 1 209 ? 30.457 11.623 -2.261 1.00 22.45 ? 243 PHE A CD1 1 ATOM 1556 C CD2 . PHE A 1 209 ? 28.056 11.412 -2.113 1.00 21.35 ? 243 PHE A CD2 1 ATOM 1557 C CE1 . PHE A 1 209 ? 30.457 12.455 -1.163 1.00 23.35 ? 243 PHE A CE1 1 ATOM 1558 C CE2 . PHE A 1 209 ? 28.017 12.300 -1.072 1.00 21.29 ? 243 PHE A CE2 1 ATOM 1559 C CZ . PHE A 1 209 ? 29.231 12.829 -0.582 1.00 22.67 ? 243 PHE A CZ 1 ATOM 1560 N N . VAL A 1 210 ? 29.507 10.114 -7.496 1.00 19.95 ? 244 VAL A N 1 ATOM 1561 C CA . VAL A 1 210 ? 29.355 9.160 -8.573 1.00 20.41 ? 244 VAL A CA 1 ATOM 1562 C C . VAL A 1 210 ? 30.688 8.614 -8.991 1.00 20.98 ? 244 VAL A C 1 ATOM 1563 O O . VAL A 1 210 ? 30.830 7.437 -9.202 1.00 20.77 ? 244 VAL A O 1 ATOM 1564 C CB . VAL A 1 210 ? 28.556 9.830 -9.763 1.00 20.93 ? 244 VAL A CB 1 ATOM 1565 C CG1 . VAL A 1 210 ? 28.626 9.052 -11.103 1.00 20.87 ? 244 VAL A CG1 1 ATOM 1566 C CG2 . VAL A 1 210 ? 27.068 9.963 -9.339 1.00 20.76 ? 244 VAL A CG2 1 ATOM 1567 N N . ASN A 1 211 ? 31.699 9.460 -9.114 1.00 22.68 ? 245 ASN A N 1 ATOM 1568 C CA . ASN A 1 211 ? 33.037 8.930 -9.352 1.00 24.09 ? 245 ASN A CA 1 ATOM 1569 C C . ASN A 1 211 ? 33.420 7.804 -8.385 1.00 23.76 ? 245 ASN A C 1 ATOM 1570 O O . ASN A 1 211 ? 33.870 6.718 -8.811 1.00 24.76 ? 245 ASN A O 1 ATOM 1571 C CB . ASN A 1 211 ? 34.074 10.041 -9.388 1.00 25.80 ? 245 ASN A CB 1 ATOM 1572 C CG . ASN A 1 211 ? 33.929 10.962 -10.607 1.00 27.39 ? 245 ASN A CG 1 ATOM 1573 O OD1 . ASN A 1 211 ? 33.482 10.538 -11.685 1.00 27.07 ? 245 ASN A OD1 1 ATOM 1574 N ND2 . ASN A 1 211 ? 34.370 12.222 -10.444 1.00 28.60 ? 245 ASN A ND2 1 ATOM 1575 N N . TRP A 1 212 ? 33.161 8.010 -7.103 1.00 22.37 ? 246 TRP A N 1 ATOM 1576 C CA . TRP A 1 212 ? 33.473 6.982 -6.071 1.00 21.70 ? 246 TRP A CA 1 ATOM 1577 C C . TRP A 1 212 ? 32.602 5.760 -6.243 1.00 21.48 ? 246 TRP A C 1 ATOM 1578 O O . TRP A 1 212 ? 33.061 4.581 -6.257 1.00 21.49 ? 246 TRP A O 1 ATOM 1579 C CB . TRP A 1 212 ? 33.413 7.649 -4.656 1.00 21.59 ? 246 TRP A CB 1 ATOM 1580 C CG . TRP A 1 212 ? 33.503 6.620 -3.506 1.00 22.20 ? 246 TRP A CG 1 ATOM 1581 C CD1 . TRP A 1 212 ? 34.618 6.097 -2.988 1.00 22.36 ? 246 TRP A CD1 1 ATOM 1582 C CD2 . TRP A 1 212 ? 32.409 6.110 -2.755 1.00 21.73 ? 246 TRP A CD2 1 ATOM 1583 N NE1 . TRP A 1 212 ? 34.303 5.186 -1.990 1.00 23.47 ? 246 TRP A NE1 1 ATOM 1584 C CE2 . TRP A 1 212 ? 32.934 5.223 -1.808 1.00 22.21 ? 246 TRP A CE2 1 ATOM 1585 C CE3 . TRP A 1 212 ? 31.026 6.296 -2.825 1.00 21.90 ? 246 TRP A CE3 1 ATOM 1586 C CZ2 . TRP A 1 212 ? 32.147 4.508 -0.958 1.00 21.28 ? 246 TRP A CZ2 1 ATOM 1587 C CZ3 . TRP A 1 212 ? 30.219 5.577 -1.982 1.00 21.04 ? 246 TRP A CZ3 1 ATOM 1588 C CH2 . TRP A 1 212 ? 30.803 4.650 -1.084 1.00 21.21 ? 246 TRP A CH2 1 ATOM 1589 N N . ILE A 1 213 ? 31.330 5.998 -6.549 1.00 21.33 ? 247 ILE A N 1 ATOM 1590 C CA . ILE A 1 213 ? 30.400 4.855 -6.714 1.00 21.61 ? 247 ILE A CA 1 ATOM 1591 C C . ILE A 1 213 ? 30.882 4.045 -7.897 1.00 23.22 ? 247 ILE A C 1 ATOM 1592 O O . ILE A 1 213 ? 31.023 2.778 -7.853 1.00 23.01 ? 247 ILE A O 1 ATOM 1593 C CB . ILE A 1 213 ? 28.952 5.336 -6.880 1.00 20.59 ? 247 ILE A CB 1 ATOM 1594 C CG1 . ILE A 1 213 ? 28.421 5.957 -5.615 1.00 20.38 ? 247 ILE A CG1 1 ATOM 1595 C CG2 . ILE A 1 213 ? 28.023 4.206 -7.228 1.00 21.12 ? 247 ILE A CG2 1 ATOM 1596 C CD1 . ILE A 1 213 ? 27.196 6.801 -5.868 1.00 20.08 ? 247 ILE A CD1 1 ATOM 1597 N N . ASP A 1 214 ? 31.124 4.763 -9.021 1.00 24.93 ? 248 ASP A N 1 ATOM 1598 C CA . ASP A 1 214 ? 31.643 4.057 -10.266 1.00 24.82 ? 248 ASP A CA 1 ATOM 1599 C C . ASP A 1 214 ? 32.950 3.340 -9.992 1.00 24.99 ? 248 ASP A C 1 ATOM 1600 O O . ASP A 1 214 ? 33.225 2.217 -10.583 1.00 24.18 ? 248 ASP A O 1 ATOM 1601 C CB . ASP A 1 214 ? 31.924 5.021 -11.466 1.00 25.90 ? 248 ASP A CB 1 ATOM 1602 C CG . ASP A 1 214 ? 30.666 5.622 -12.069 1.00 25.95 ? 248 ASP A CG 1 ATOM 1603 O OD1 . ASP A 1 214 ? 29.577 5.124 -11.816 1.00 24.99 ? 248 ASP A OD1 1 ATOM 1604 O OD2 . ASP A 1 214 ? 30.831 6.671 -12.735 1.00 27.71 ? 248 ASP A OD2 1 ATOM 1605 N N . SER A 1 215 ? 33.796 3.950 -9.150 1.00 24.47 ? 249 SER A N 1 ATOM 1606 C CA . SER A 1 215 ? 35.051 3.262 -8.888 1.00 25.74 ? 249 SER A CA 1 ATOM 1607 C C . SER A 1 215 ? 34.853 1.881 -8.271 1.00 27.55 ? 249 SER A C 1 ATOM 1608 O O . SER A 1 215 ? 35.825 1.091 -8.232 1.00 28.26 ? 249 SER A O 1 ATOM 1609 C CB . SER A 1 215 ? 35.941 4.039 -7.897 1.00 26.20 ? 249 SER A CB 1 ATOM 1610 O OG . SER A 1 215 ? 35.591 3.872 -6.488 1.00 25.23 ? 249 SER A OG 1 ATOM 1611 N N . ILE A 1 216 ? 33.688 1.648 -7.648 1.00 26.97 ? 250 ILE A N 1 ATOM 1612 C CA . ILE A 1 216 ? 33.318 0.377 -7.019 1.00 27.77 ? 250 ILE A CA 1 ATOM 1613 C C . ILE A 1 216 ? 32.443 -0.426 -7.970 1.00 29.52 ? 250 ILE A C 1 ATOM 1614 O O . ILE A 1 216 ? 32.636 -1.559 -8.110 1.00 30.58 ? 250 ILE A O 1 ATOM 1615 C CB . ILE A 1 216 ? 32.498 0.650 -5.720 1.00 25.95 ? 250 ILE A CB 1 ATOM 1616 C CG1 . ILE A 1 216 ? 33.404 1.322 -4.676 1.00 26.31 ? 250 ILE A CG1 1 ATOM 1617 C CG2 . ILE A 1 216 ? 31.884 -0.636 -5.168 1.00 26.84 ? 250 ILE A CG2 1 ATOM 1618 C CD1 . ILE A 1 216 ? 32.638 1.950 -3.537 1.00 24.99 ? 250 ILE A CD1 1 ATOM 1619 N N . ILE A 1 217 ? 31.354 0.134 -8.495 1.00 31.95 ? 251 ILE A N 1 ATOM 1620 C CA . ILE A 1 217 ? 30.420 -0.700 -9.273 1.00 35.62 ? 251 ILE A CA 1 ATOM 1621 C C . ILE A 1 217 ? 30.854 -0.884 -10.725 1.00 42.45 ? 251 ILE A C 1 ATOM 1622 O O . ILE A 1 217 ? 30.243 -1.728 -11.398 1.00 43.08 ? 251 ILE A O 1 ATOM 1623 C CB . ILE A 1 217 ? 28.937 -0.215 -9.240 1.00 34.45 ? 251 ILE A CB 1 ATOM 1624 C CG1 . ILE A 1 217 ? 28.757 1.152 -9.880 1.00 33.95 ? 251 ILE A CG1 1 ATOM 1625 C CG2 . ILE A 1 217 ? 28.444 -0.130 -7.789 1.00 36.89 ? 251 ILE A CG2 1 ATOM 1626 C CD1 . ILE A 1 217 ? 27.297 1.619 -10.064 1.00 33.46 ? 251 ILE A CD1 1 ATOM 1627 N N . GLN A 1 218 ? 31.829 -0.046 -11.178 1.00 46.74 ? 252 GLN A N 1 ATOM 1628 C CA . GLN A 1 218 ? 32.354 0.116 -12.549 1.00 51.17 ? 252 GLN A CA 1 ATOM 1629 C C . GLN A 1 218 ? 31.475 1.110 -13.283 1.00 53.86 ? 252 GLN A C 1 ATOM 1630 O O . GLN A 1 218 ? 32.031 1.938 -14.002 1.00 58.63 ? 252 GLN A O 1 ATOM 1631 C CB . GLN A 1 218 ? 32.437 -1.142 -13.337 1.00 53.47 ? 252 GLN A CB 1 ATOM 1632 C CG . GLN A 1 218 ? 33.046 -2.329 -12.627 1.00 58.65 ? 252 GLN A CG 1 ATOM 1633 C CD . GLN A 1 218 ? 32.271 -3.619 -12.998 1.00 67.50 ? 252 GLN A CD 1 ATOM 1634 O OE1 . GLN A 1 218 ? 31.704 -3.760 -14.124 1.00 73.67 ? 252 GLN A OE1 1 ATOM 1635 N NE2 . GLN A 1 218 ? 32.207 -4.550 -12.052 1.00 71.32 ? 252 GLN A NE2 1 ATOM 1636 O OXT . GLN A 1 218 ? 30.247 1.117 -13.196 0.010 53.51 ? 252 GLN A OXT 1 ATOM 1637 N N . ILE B 1 1 ? 24.636 17.664 24.472 1.00 18.25 ? 16 ILE B N 1 ATOM 1638 C CA . ILE B 1 1 ? 23.887 18.638 25.276 1.00 18.03 ? 16 ILE B CA 1 ATOM 1639 C C . ILE B 1 1 ? 23.985 19.974 24.564 1.00 18.70 ? 16 ILE B C 1 ATOM 1640 O O . ILE B 1 1 ? 25.103 20.404 24.354 1.00 20.25 ? 16 ILE B O 1 ATOM 1641 C CB . ILE B 1 1 ? 24.538 18.749 26.657 1.00 18.42 ? 16 ILE B CB 1 ATOM 1642 C CG1 . ILE B 1 1 ? 24.503 17.409 27.381 1.00 18.26 ? 16 ILE B CG1 1 ATOM 1643 C CG2 . ILE B 1 1 ? 23.899 19.866 27.466 1.00 19.08 ? 16 ILE B CG2 1 ATOM 1644 C CD1 . ILE B 1 1 ? 23.137 16.962 27.822 1.00 17.84 ? 16 ILE B CD1 1 ATOM 1645 N N . VAL B 1 2 ? 22.870 20.648 24.282 1.00 17.90 ? 17 VAL B N 1 ATOM 1646 C CA . VAL B 1 2 ? 22.846 21.948 23.695 1.00 18.78 ? 17 VAL B CA 1 ATOM 1647 C C . VAL B 1 2 ? 22.600 22.962 24.832 1.00 19.67 ? 17 VAL B C 1 ATOM 1648 O O . VAL B 1 2 ? 21.722 22.771 25.669 1.00 20.04 ? 17 VAL B O 1 ATOM 1649 C CB . VAL B 1 2 ? 21.729 22.047 22.675 1.00 18.17 ? 17 VAL B CB 1 ATOM 1650 C CG1 . VAL B 1 2 ? 21.583 23.463 22.060 1.00 18.57 ? 17 VAL B CG1 1 ATOM 1651 C CG2 . VAL B 1 2 ? 21.823 20.895 21.628 1.00 17.75 ? 17 VAL B CG2 1 ATOM 1652 N N . GLY B 1 3 ? 23.461 23.969 24.894 1.00 20.01 ? 18 GLY B N 1 ATOM 1653 C CA . GLY B 1 3 ? 23.264 25.120 25.780 1.00 20.01 ? 18 GLY B CA 1 ATOM 1654 C C . GLY B 1 3 ? 23.601 24.818 27.216 1.00 20.26 ? 18 GLY B C 1 ATOM 1655 O O . GLY B 1 3 ? 23.119 25.536 28.127 1.00 20.40 ? 18 GLY B O 1 ATOM 1656 N N . GLY B 1 4 ? 24.446 23.808 27.396 1.00 20.16 ? 19 GLY B N 1 ATOM 1657 C CA . GLY B 1 4 ? 24.936 23.345 28.702 1.00 20.76 ? 19 GLY B CA 1 ATOM 1658 C C . GLY B 1 4 ? 26.306 23.968 29.032 1.00 21.55 ? 19 GLY B C 1 ATOM 1659 O O . GLY B 1 4 ? 26.598 25.038 28.543 1.00 22.34 ? 19 GLY B O 1 ATOM 1660 N N . ARG B 1 5 ? 27.132 23.276 29.840 1.00 21.62 ? 20 ARG B N 1 ATOM 1661 C CA . ARG B 1 5 ? 28.493 23.746 30.191 1.00 22.56 ? 20 ARG B CA 1 ATOM 1662 C C . ARG B 1 5 ? 29.256 22.482 30.501 1.00 22.75 ? 20 ARG B C 1 ATOM 1663 O O . ARG B 1 5 ? 28.652 21.435 30.663 1.00 22.25 ? 20 ARG B O 1 ATOM 1664 C CB . ARG B 1 5 ? 28.446 24.579 31.437 1.00 22.61 ? 20 ARG B CB 1 ATOM 1665 C CG . ARG B 1 5 ? 27.891 23.806 32.623 1.00 22.61 ? 20 ARG B CG 1 ATOM 1666 C CD . ARG B 1 5 ? 27.919 24.592 33.925 1.00 23.37 ? 20 ARG B CD 1 ATOM 1667 N NE . ARG B 1 5 ? 27.099 23.868 34.890 1.00 23.55 ? 20 ARG B NE 1 ATOM 1668 C CZ . ARG B 1 5 ? 25.780 24.024 35.019 1.00 24.02 ? 20 ARG B CZ 1 ATOM 1669 N NH1 . ARG B 1 5 ? 25.116 24.923 34.275 1.00 23.19 ? 20 ARG B NH1 1 ATOM 1670 N NH2 . ARG B 1 5 ? 25.118 23.246 35.888 1.00 24.11 ? 20 ARG B NH2 1 ATOM 1671 N N . ARG B 1 6 ? 30.534 22.581 30.622 1.00 23.61 ? 21 ARG B N 1 ATOM 1672 C CA . ARG B 1 6 ? 31.347 21.467 31.051 1.00 24.62 ? 21 ARG B CA 1 ATOM 1673 C C . ARG B 1 6 ? 31.104 21.088 32.471 1.00 24.71 ? 21 ARG B C 1 ATOM 1674 O O . ARG B 1 6 ? 31.110 21.954 33.330 1.00 24.77 ? 21 ARG B O 1 ATOM 1675 C CB . ARG B 1 6 ? 32.797 21.861 31.027 1.00 27.18 ? 21 ARG B CB 1 ATOM 1676 C CG . ARG B 1 6 ? 33.252 22.246 29.657 1.00 29.96 ? 21 ARG B CG 1 ATOM 1677 C CD . ARG B 1 6 ? 34.736 22.529 29.780 1.00 34.64 ? 21 ARG B CD 1 ATOM 1678 N NE . ARG B 1 6 ? 35.377 22.520 28.466 1.00 38.74 ? 21 ARG B NE 1 ATOM 1679 C CZ . ARG B 1 6 ? 36.276 23.380 28.085 1.00 44.72 ? 21 ARG B CZ 1 ATOM 1680 N NH1 . ARG B 1 6 ? 36.668 24.408 28.872 1.00 46.95 ? 21 ARG B NH1 1 ATOM 1681 N NH2 . ARG B 1 6 ? 36.779 23.226 26.881 1.00 51.29 ? 21 ARG B NH2 1 ATOM 1682 N N . ALA B 1 7 ? 30.971 19.797 32.732 1.00 24.19 ? 22 ALA B N 1 ATOM 1683 C CA . ALA B 1 7 ? 31.028 19.291 34.085 1.00 25.35 ? 22 ALA B CA 1 ATOM 1684 C C . ALA B 1 7 ? 32.483 19.490 34.618 1.00 27.37 ? 22 ALA B C 1 ATOM 1685 O O . ALA B 1 7 ? 33.480 19.514 33.863 1.00 26.79 ? 22 ALA B O 1 ATOM 1686 C CB . ALA B 1 7 ? 30.648 17.845 34.057 1.00 24.62 ? 22 ALA B CB 1 ATOM 1687 N N . ARG B 1 8 ? 32.643 19.583 35.929 1.00 29.05 ? 23 ARG B N 1 ATOM 1688 C CA . ARG B 1 8 ? 33.975 19.519 36.476 1.00 29.65 ? 23 ARG B CA 1 ATOM 1689 C C . ARG B 1 8 ? 34.489 18.126 36.274 1.00 28.88 ? 23 ARG B C 1 ATOM 1690 O O . ARG B 1 8 ? 33.727 17.188 36.295 1.00 27.77 ? 23 ARG B O 1 ATOM 1691 C CB . ARG B 1 8 ? 33.882 19.797 37.956 1.00 32.01 ? 23 ARG B CB 1 ATOM 1692 C CG . ARG B 1 8 ? 33.601 21.278 38.228 1.00 34.08 ? 23 ARG B CG 1 ATOM 1693 C CD . ARG B 1 8 ? 33.845 21.526 39.692 1.00 35.50 ? 23 ARG B CD 1 ATOM 1694 N NE . ARG B 1 8 ? 35.273 21.365 40.008 1.00 39.03 ? 23 ARG B NE 1 ATOM 1695 C CZ . ARG B 1 8 ? 35.774 20.775 41.123 1.00 39.61 ? 23 ARG B CZ 1 ATOM 1696 N NH1 . ARG B 1 8 ? 34.994 20.214 42.024 1.00 40.20 ? 23 ARG B NH1 1 ATOM 1697 N NH2 . ARG B 1 8 ? 37.080 20.713 41.328 1.00 40.97 ? 23 ARG B NH2 1 ATOM 1698 N N . PRO B 1 9 ? 35.784 17.955 36.169 1.00 29.41 ? 24 PRO B N 1 ATOM 1699 C CA . PRO B 1 9 ? 36.216 16.559 35.929 1.00 28.68 ? 24 PRO B CA 1 ATOM 1700 C C . PRO B 1 9 ? 35.702 15.627 36.969 1.00 28.20 ? 24 PRO B C 1 ATOM 1701 O O . PRO B 1 9 ? 35.835 15.870 38.142 1.00 28.88 ? 24 PRO B O 1 ATOM 1702 C CB . PRO B 1 9 ? 37.769 16.651 35.983 1.00 29.78 ? 24 PRO B CB 1 ATOM 1703 C CG . PRO B 1 9 ? 38.094 18.095 35.633 1.00 30.03 ? 24 PRO B CG 1 ATOM 1704 C CD . PRO B 1 9 ? 36.922 18.916 36.157 1.00 30.05 ? 24 PRO B CD 1 ATOM 1705 N N . HIS B 1 10 ? 35.128 14.505 36.573 1.00 27.09 ? 25 HIS B N 1 ATOM 1706 C CA . HIS B 1 10 ? 34.712 13.495 37.515 1.00 26.71 ? 25 HIS B CA 1 ATOM 1707 C C . HIS B 1 10 ? 33.665 13.930 38.505 1.00 25.89 ? 25 HIS B C 1 ATOM 1708 O O . HIS B 1 10 ? 33.482 13.268 39.478 1.00 24.85 ? 25 HIS B O 1 ATOM 1709 C CB . HIS B 1 10 ? 35.941 12.856 38.241 1.00 28.98 ? 25 HIS B CB 1 ATOM 1710 C CG . HIS B 1 10 ? 37.005 12.478 37.263 1.00 30.34 ? 25 HIS B CG 1 ATOM 1711 N ND1 . HIS B 1 10 ? 36.784 11.541 36.282 1.00 29.72 ? 25 HIS B ND1 1 ATOM 1712 C CD2 . HIS B 1 10 ? 38.246 12.980 37.038 1.00 31.50 ? 25 HIS B CD2 1 ATOM 1713 C CE1 . HIS B 1 10 ? 37.840 11.477 35.492 1.00 31.06 ? 25 HIS B CE1 1 ATOM 1714 N NE2 . HIS B 1 10 ? 38.748 12.323 35.943 1.00 31.95 ? 25 HIS B NE2 1 ATOM 1715 N N . ALA B 1 11 ? 32.902 14.962 38.207 1.00 24.93 ? 26 ALA B N 1 ATOM 1716 C CA . ALA B 1 11 ? 31.795 15.367 39.101 1.00 24.82 ? 26 ALA B CA 1 ATOM 1717 C C . ALA B 1 11 ? 30.691 14.330 39.161 1.00 24.76 ? 26 ALA B C 1 ATOM 1718 O O . ALA B 1 11 ? 30.017 14.242 40.163 1.00 25.22 ? 26 ALA B O 1 ATOM 1719 C CB . ALA B 1 11 ? 31.206 16.673 38.619 1.00 24.50 ? 26 ALA B CB 1 ATOM 1720 N N . TRP B 1 12 ? 30.529 13.505 38.112 1.00 23.48 ? 27 TRP B N 1 ATOM 1721 C CA . TRP B 1 12 ? 29.434 12.550 38.096 1.00 23.44 ? 27 TRP B CA 1 ATOM 1722 C C . TRP B 1 12 ? 30.032 11.187 37.821 1.00 23.59 ? 27 TRP B C 1 ATOM 1723 O O . TRP B 1 12 ? 29.978 10.684 36.662 1.00 22.03 ? 27 TRP B O 1 ATOM 1724 C CB . TRP B 1 12 ? 28.388 12.966 37.037 1.00 23.16 ? 27 TRP B CB 1 ATOM 1725 C CG . TRP B 1 12 ? 28.097 14.445 37.169 1.00 22.82 ? 27 TRP B CG 1 ATOM 1726 C CD1 . TRP B 1 12 ? 28.384 15.383 36.258 1.00 23.35 ? 27 TRP B CD1 1 ATOM 1727 C CD2 . TRP B 1 12 ? 27.488 15.110 38.268 1.00 23.28 ? 27 TRP B CD2 1 ATOM 1728 N NE1 . TRP B 1 12 ? 27.978 16.619 36.690 1.00 23.50 ? 27 TRP B NE1 1 ATOM 1729 C CE2 . TRP B 1 12 ? 27.450 16.488 37.935 1.00 23.34 ? 27 TRP B CE2 1 ATOM 1730 C CE3 . TRP B 1 12 ? 26.974 14.672 39.519 1.00 23.64 ? 27 TRP B CE3 1 ATOM 1731 C CZ2 . TRP B 1 12 ? 26.878 17.468 38.764 1.00 24.68 ? 27 TRP B CZ2 1 ATOM 1732 C CZ3 . TRP B 1 12 ? 26.446 15.642 40.426 1.00 24.84 ? 27 TRP B CZ3 1 ATOM 1733 C CH2 . TRP B 1 12 ? 26.424 17.052 40.050 1.00 25.02 ? 27 TRP B CH2 1 ATOM 1734 N N . PRO B 1 13 ? 30.572 10.558 38.908 1.00 24.37 ? 28 PRO B N 1 ATOM 1735 C CA . PRO B 1 13 ? 31.417 9.399 38.801 1.00 24.32 ? 28 PRO B CA 1 ATOM 1736 C C . PRO B 1 13 ? 30.703 8.109 38.395 1.00 23.27 ? 28 PRO B C 1 ATOM 1737 O O . PRO B 1 13 ? 31.353 7.111 38.187 1.00 22.49 ? 28 PRO B O 1 ATOM 1738 C CB . PRO B 1 13 ? 32.098 9.338 40.192 1.00 25.61 ? 28 PRO B CB 1 ATOM 1739 C CG . PRO B 1 13 ? 31.216 10.106 41.122 1.00 25.71 ? 28 PRO B CG 1 ATOM 1740 C CD . PRO B 1 13 ? 30.539 11.124 40.302 1.00 25.29 ? 28 PRO B CD 1 ATOM 1741 N N . PHE B 1 14 ? 29.383 8.149 38.287 1.00 22.96 ? 29 PHE B N 1 ATOM 1742 C CA . PHE B 1 14 ? 28.555 7.074 37.718 1.00 22.33 ? 29 PHE B CA 1 ATOM 1743 C C . PHE B 1 14 ? 28.330 7.271 36.197 1.00 22.69 ? 29 PHE B C 1 ATOM 1744 O O . PHE B 1 14 ? 27.660 6.499 35.569 1.00 22.54 ? 29 PHE B O 1 ATOM 1745 C CB . PHE B 1 14 ? 27.190 7.030 38.391 1.00 22.06 ? 29 PHE B CB 1 ATOM 1746 C CG . PHE B 1 14 ? 26.563 8.377 38.524 1.00 22.92 ? 29 PHE B CG 1 ATOM 1747 C CD1 . PHE B 1 14 ? 26.000 8.989 37.458 1.00 22.89 ? 29 PHE B CD1 1 ATOM 1748 C CD2 . PHE B 1 14 ? 26.598 9.065 39.744 1.00 23.53 ? 29 PHE B CD2 1 ATOM 1749 C CE1 . PHE B 1 14 ? 25.496 10.288 37.574 1.00 23.64 ? 29 PHE B CE1 1 ATOM 1750 C CE2 . PHE B 1 14 ? 26.043 10.292 39.874 1.00 23.58 ? 29 PHE B CE2 1 ATOM 1751 C CZ . PHE B 1 14 ? 25.540 10.940 38.768 1.00 23.18 ? 29 PHE B CZ 1 ATOM 1752 N N . MET B 1 15 ? 28.808 8.356 35.621 1.00 22.27 ? 30 MET B N 1 ATOM 1753 C CA . MET B 1 15 ? 28.557 8.567 34.199 1.00 21.44 ? 30 MET B CA 1 ATOM 1754 C C . MET B 1 15 ? 29.392 7.656 33.359 1.00 21.55 ? 30 MET B C 1 ATOM 1755 O O . MET B 1 15 ? 30.618 7.590 33.564 1.00 23.61 ? 30 MET B O 1 ATOM 1756 C CB . MET B 1 15 ? 28.889 10.028 33.829 1.00 21.13 ? 30 MET B CB 1 ATOM 1757 C CG . MET B 1 15 ? 28.599 10.387 32.366 1.00 20.88 ? 30 MET B CG 1 ATOM 1758 S SD . MET B 1 15 ? 26.826 10.247 32.057 1.00 19.35 ? 30 MET B SD 1 ATOM 1759 C CE . MET B 1 15 ? 26.808 10.176 30.268 1.00 19.43 ? 30 MET B CE 1 ATOM 1760 N N . VAL B 1 16 ? 28.791 7.056 32.326 1.00 20.15 ? 31 VAL B N 1 ATOM 1761 C CA . VAL B 1 16 ? 29.433 6.046 31.536 1.00 20.05 ? 31 VAL B CA 1 ATOM 1762 C C . VAL B 1 16 ? 29.368 6.426 30.062 1.00 20.01 ? 31 VAL B C 1 ATOM 1763 O O . VAL B 1 16 ? 28.387 7.040 29.615 1.00 18.53 ? 31 VAL B O 1 ATOM 1764 C CB . VAL B 1 16 ? 28.717 4.674 31.804 1.00 20.13 ? 31 VAL B CB 1 ATOM 1765 C CG1 . VAL B 1 16 ? 29.264 3.621 30.905 1.00 20.51 ? 31 VAL B CG1 1 ATOM 1766 C CG2 . VAL B 1 16 ? 28.927 4.251 33.243 1.00 20.53 ? 31 VAL B CG2 1 ATOM 1767 N N . SER B 1 17 ? 30.426 6.109 29.324 1.00 20.40 ? 32 SER B N 1 ATOM 1768 C CA . SER B 1 17 ? 30.424 6.332 27.867 1.00 21.14 ? 32 SER B CA 1 ATOM 1769 C C . SER B 1 17 ? 30.383 4.930 27.224 1.00 21.64 ? 32 SER B C 1 ATOM 1770 O O . SER B 1 17 ? 31.229 4.057 27.606 1.00 23.50 ? 32 SER B O 1 ATOM 1771 C CB . SER B 1 17 ? 31.693 7.097 27.443 1.00 21.30 ? 32 SER B CB 1 ATOM 1772 O OG . SER B 1 17 ? 31.827 7.144 26.037 1.00 21.60 ? 32 SER B OG 1 ATOM 1773 N N . LEU B 1 18 ? 29.412 4.678 26.332 1.00 20.84 ? 33 LEU B N 1 ATOM 1774 C CA . LEU B 1 18 ? 29.427 3.415 25.587 1.00 21.22 ? 33 LEU B CA 1 ATOM 1775 C C . LEU B 1 18 ? 30.105 3.678 24.245 1.00 21.77 ? 33 LEU B C 1 ATOM 1776 O O . LEU B 1 18 ? 29.754 4.655 23.574 1.00 21.06 ? 33 LEU B O 1 ATOM 1777 C CB . LEU B 1 18 ? 28.012 2.900 25.352 1.00 20.84 ? 33 LEU B CB 1 ATOM 1778 C CG . LEU B 1 18 ? 27.203 2.582 26.624 1.00 21.23 ? 33 LEU B CG 1 ATOM 1779 C CD1 . LEU B 1 18 ? 25.774 2.123 26.259 1.00 20.89 ? 33 LEU B CD1 1 ATOM 1780 C CD2 . LEU B 1 18 ? 27.921 1.540 27.515 1.00 20.68 ? 33 LEU B CD2 1 ATOM 1781 N N . GLN B 1 19 ? 31.101 2.866 23.908 1.00 22.35 ? 34 GLN B N 1 ATOM 1782 C CA . GLN B 1 19 ? 31.876 3.103 22.713 1.00 24.53 ? 34 GLN B CA 1 ATOM 1783 C C . GLN B 1 19 ? 31.927 1.905 21.803 1.00 25.57 ? 34 GLN B C 1 ATOM 1784 O O . GLN B 1 19 ? 31.838 0.776 22.252 1.00 25.79 ? 34 GLN B O 1 ATOM 1785 C CB . GLN B 1 19 ? 33.302 3.494 23.121 1.00 24.77 ? 34 GLN B CB 1 ATOM 1786 C CG . GLN B 1 19 ? 33.239 4.626 24.170 1.00 24.87 ? 34 GLN B CG 1 ATOM 1787 C CD . GLN B 1 19 ? 34.549 5.395 24.344 1.00 25.79 ? 34 GLN B CD 1 ATOM 1788 O OE1 . GLN B 1 19 ? 35.611 4.971 23.886 1.00 25.07 ? 34 GLN B OE1 1 ATOM 1789 N NE2 . GLN B 1 19 ? 34.455 6.507 25.026 1.00 24.15 ? 34 GLN B NE2 1 ATOM 1790 N N . LEU B 1 20 ? 32.117 2.186 20.541 1.00 29.01 ? 35 LEU B N 1 ATOM 1791 C CA . LEU B 1 20 ? 32.446 1.197 19.541 1.00 34.64 ? 35 LEU B CA 1 ATOM 1792 C C . LEU B 1 20 ? 33.550 1.743 18.702 1.00 38.40 ? 35 LEU B C 1 ATOM 1793 O O . LEU B 1 20 ? 33.471 2.929 18.342 1.00 42.82 ? 35 LEU B O 1 ATOM 1794 C CB . LEU B 1 20 ? 31.249 0.998 18.617 1.00 34.87 ? 35 LEU B CB 1 ATOM 1795 C CG . LEU B 1 20 ? 30.270 -0.094 18.907 1.00 37.57 ? 35 LEU B CG 1 ATOM 1796 C CD1 . LEU B 1 20 ? 29.146 -0.072 17.893 1.00 38.43 ? 35 LEU B CD1 1 ATOM 1797 C CD2 . LEU B 1 20 ? 30.900 -1.457 18.870 1.00 38.60 ? 35 LEU B CD2 1 ATOM 1798 N N . ARG B 1 21 ? 34.503 0.903 18.362 1.00 42.13 ? 36 ARG B N 1 ATOM 1799 C CA . ARG B 1 21 ? 35.476 1.124 17.282 1.00 49.47 ? 36 ARG B CA 1 ATOM 1800 C C . ARG B 1 21 ? 36.431 2.251 17.534 1.00 47.73 ? 36 ARG B C 1 ATOM 1801 O O . ARG B 1 21 ? 36.236 3.343 17.018 1.00 46.86 ? 36 ARG B O 1 ATOM 1802 C CB . ARG B 1 21 ? 34.764 1.386 15.958 1.00 54.66 ? 36 ARG B CB 1 ATOM 1803 C CG . ARG B 1 21 ? 34.044 0.187 15.393 1.00 63.34 ? 36 ARG B CG 1 ATOM 1804 C CD . ARG B 1 21 ? 35.044 -0.752 14.719 1.00 71.11 ? 36 ARG B CD 1 ATOM 1805 N NE . ARG B 1 21 ? 35.233 -0.429 13.302 1.00 79.50 ? 36 ARG B NE 1 ATOM 1806 C CZ . ARG B 1 21 ? 35.938 -1.153 12.411 1.00 81.63 ? 36 ARG B CZ 1 ATOM 1807 N NH1 . ARG B 1 21 ? 36.564 -2.280 12.755 1.00 76.52 ? 36 ARG B NH1 1 ATOM 1808 N NH2 . ARG B 1 21 ? 36.010 -0.737 11.143 1.00 80.46 ? 36 ARG B NH2 1 ATOM 1809 N N . GLY B 1 22 ? 36.360 2.842 19.663 1.00 43.64 ? 38 GLY B N 1 ATOM 1810 C CA . GLY B 1 22 ? 36.876 4.068 20.200 1.00 41.65 ? 38 GLY B CA 1 ATOM 1811 C C . GLY B 1 22 ? 35.936 5.263 20.038 1.00 39.12 ? 38 GLY B C 1 ATOM 1812 O O . GLY B 1 22 ? 36.287 6.359 20.423 1.00 41.99 ? 38 GLY B O 1 ATOM 1813 N N . GLY B 1 23 ? 34.796 5.101 19.389 1.00 35.06 ? 39 GLY B N 1 ATOM 1814 C CA . GLY B 1 23 ? 33.855 6.180 19.323 1.00 30.84 ? 39 GLY B CA 1 ATOM 1815 C C . GLY B 1 23 ? 32.701 6.047 20.280 1.00 26.65 ? 39 GLY B C 1 ATOM 1816 O O . GLY B 1 23 ? 31.975 5.060 20.216 1.00 23.71 ? 39 GLY B O 1 ATOM 1817 N N . HIS B 1 24 ? 32.488 7.095 21.075 1.00 23.95 ? 40 HIS B N 1 ATOM 1818 C CA . HIS B 1 24 ? 31.306 7.254 21.880 1.00 22.31 ? 40 HIS B CA 1 ATOM 1819 C C . HIS B 1 24 ? 30.032 7.159 21.045 1.00 22.18 ? 40 HIS B C 1 ATOM 1820 O O . HIS B 1 24 ? 29.948 7.850 20.063 1.00 24.12 ? 40 HIS B O 1 ATOM 1821 C CB . HIS B 1 24 ? 31.306 8.613 22.567 1.00 20.83 ? 40 HIS B CB 1 ATOM 1822 C CG . HIS B 1 24 ? 30.063 8.911 23.340 1.00 19.51 ? 40 HIS B CG 1 ATOM 1823 N ND1 . HIS B 1 24 ? 29.868 8.464 24.619 1.00 20.16 ? 40 HIS B ND1 1 ATOM 1824 C CD2 . HIS B 1 24 ? 28.959 9.627 23.027 1.00 19.06 ? 40 HIS B CD2 1 ATOM 1825 C CE1 . HIS B 1 24 ? 28.694 8.888 25.069 1.00 19.89 ? 40 HIS B CE1 1 ATOM 1826 N NE2 . HIS B 1 24 ? 28.099 9.544 24.086 1.00 19.17 ? 40 HIS B NE2 1 ATOM 1827 N N . PHE B 1 25 ? 29.054 6.351 21.432 1.00 20.33 ? 41 PHE B N 1 ATOM 1828 C CA . PHE B 1 25 ? 27.715 6.386 20.725 1.00 19.92 ? 41 PHE B CA 1 ATOM 1829 C C . PHE B 1 25 ? 26.526 6.587 21.671 1.00 18.54 ? 41 PHE B C 1 ATOM 1830 O O . PHE B 1 25 ? 25.477 6.979 21.234 1.00 17.68 ? 41 PHE B O 1 ATOM 1831 C CB . PHE B 1 25 ? 27.490 5.209 19.808 1.00 19.36 ? 41 PHE B CB 1 ATOM 1832 C CG . PHE B 1 25 ? 27.337 3.906 20.523 1.00 18.94 ? 41 PHE B CG 1 ATOM 1833 C CD1 . PHE B 1 25 ? 28.438 3.172 20.869 1.00 20.17 ? 41 PHE B CD1 1 ATOM 1834 C CD2 . PHE B 1 25 ? 26.092 3.480 20.954 1.00 19.22 ? 41 PHE B CD2 1 ATOM 1835 C CE1 . PHE B 1 25 ? 28.313 2.015 21.614 1.00 19.67 ? 41 PHE B CE1 1 ATOM 1836 C CE2 . PHE B 1 25 ? 25.925 2.324 21.697 1.00 18.90 ? 41 PHE B CE2 1 ATOM 1837 C CZ . PHE B 1 25 ? 27.039 1.599 22.035 1.00 20.07 ? 41 PHE B CZ 1 ATOM 1838 N N . CYS B 1 26 ? 26.751 6.516 23.003 1.00 18.16 ? 42 CYS B N 1 ATOM 1839 C CA . CYS B 1 26 ? 25.669 6.665 23.944 1.00 17.83 ? 42 CYS B CA 1 ATOM 1840 C C . CYS B 1 26 ? 26.240 6.768 25.363 1.00 17.85 ? 42 CYS B C 1 ATOM 1841 O O . CYS B 1 26 ? 27.348 6.255 25.683 1.00 17.03 ? 42 CYS B O 1 ATOM 1842 C CB . CYS B 1 26 ? 24.762 5.435 23.915 1.00 18.09 ? 42 CYS B CB 1 ATOM 1843 S SG . CYS B 1 26 ? 23.300 5.584 22.864 1.00 18.23 ? 42 CYS B SG 1 ATOM 1844 N N . GLY B 1 27 ? 25.469 7.414 26.196 1.00 17.13 ? 43 GLY B N 1 ATOM 1845 C CA . GLY B 1 27 ? 25.761 7.335 27.617 1.00 17.69 ? 43 GLY B CA 1 ATOM 1846 C C . GLY B 1 27 ? 25.073 6.169 28.316 1.00 17.26 ? 43 GLY B C 1 ATOM 1847 O O . GLY B 1 27 ? 24.312 5.429 27.745 1.00 18.25 ? 43 GLY B O 1 ATOM 1848 N N . ALA B 1 28 ? 25.417 6.001 29.573 1.00 17.66 ? 44 ALA B N 1 ATOM 1849 C CA . ALA B 1 28 ? 24.913 4.954 30.469 1.00 17.39 ? 44 ALA B CA 1 ATOM 1850 C C . ALA B 1 28 ? 25.268 5.397 31.924 1.00 17.45 ? 44 ALA B C 1 ATOM 1851 O O . ALA B 1 28 ? 25.960 6.420 32.182 1.00 17.10 ? 44 ALA B O 1 ATOM 1852 C CB . ALA B 1 28 ? 25.507 3.611 30.079 1.00 16.98 ? 44 ALA B CB 1 ATOM 1853 N N . THR B 1 29 ? 24.756 4.660 32.858 1.00 17.53 ? 45 THR B N 1 ATOM 1854 C CA . THR B 1 29 ? 24.887 4.952 34.256 1.00 18.09 ? 45 THR B CA 1 ATOM 1855 C C . THR B 1 29 ? 25.315 3.689 35.042 1.00 18.82 ? 45 THR B C 1 ATOM 1856 O O . THR B 1 29 ? 24.755 2.588 34.848 1.00 18.79 ? 45 THR B O 1 ATOM 1857 C CB . THR B 1 29 ? 23.542 5.321 34.861 1.00 18.40 ? 45 THR B CB 1 ATOM 1858 O OG1 . THR B 1 29 ? 23.060 6.470 34.266 1.00 17.47 ? 45 THR B OG1 1 ATOM 1859 C CG2 . THR B 1 29 ? 23.804 5.666 36.358 1.00 18.99 ? 45 THR B CG2 1 ATOM 1860 N N . LEU B 1 30 ? 26.350 3.801 35.869 1.00 20.00 ? 46 LEU B N 1 ATOM 1861 C CA . LEU B 1 30 ? 26.822 2.635 36.634 1.00 20.54 ? 46 LEU B CA 1 ATOM 1862 C C . LEU B 1 30 ? 25.905 2.443 37.855 1.00 21.15 ? 46 LEU B C 1 ATOM 1863 O O . LEU B 1 30 ? 25.696 3.350 38.610 1.00 20.88 ? 46 LEU B O 1 ATOM 1864 C CB . LEU B 1 30 ? 28.256 2.819 37.059 1.00 21.54 ? 46 LEU B CB 1 ATOM 1865 C CG . LEU B 1 30 ? 28.846 1.640 37.874 1.00 22.12 ? 46 LEU B CG 1 ATOM 1866 C CD1 . LEU B 1 30 ? 29.221 0.547 36.924 1.00 22.28 ? 46 LEU B CD1 1 ATOM 1867 C CD2 . LEU B 1 30 ? 30.081 2.134 38.583 1.00 23.23 ? 46 LEU B CD2 1 ATOM 1868 N N . ILE B 1 31 ? 25.265 1.286 37.910 1.00 21.75 ? 47 ILE B N 1 ATOM 1869 C CA . ILE B 1 31 ? 24.248 1.013 38.845 1.00 22.73 ? 47 ILE B CA 1 ATOM 1870 C C . ILE B 1 31 ? 24.596 -0.094 39.836 1.00 23.46 ? 47 ILE B C 1 ATOM 1871 O O . ILE B 1 31 ? 23.886 -0.247 40.731 1.00 24.19 ? 47 ILE B O 1 ATOM 1872 C CB . ILE B 1 31 ? 22.884 0.806 38.196 1.00 23.11 ? 47 ILE B CB 1 ATOM 1873 C CG1 . ILE B 1 31 ? 22.913 -0.456 37.322 1.00 22.93 ? 47 ILE B CG1 1 ATOM 1874 C CG2 . ILE B 1 31 ? 22.421 2.099 37.433 1.00 23.09 ? 47 ILE B CG2 1 ATOM 1875 C CD1 . ILE B 1 31 ? 21.548 -0.832 36.899 1.00 22.61 ? 47 ILE B CD1 1 ATOM 1876 N N . ALA B 1 32 ? 25.667 -0.814 39.600 1.00 24.14 ? 48 ALA B N 1 ATOM 1877 C CA . ALA B 1 32 ? 26.316 -1.711 40.482 1.00 25.48 ? 48 ALA B CA 1 ATOM 1878 C C . ALA B 1 32 ? 27.740 -1.865 39.901 1.00 26.90 ? 48 ALA B C 1 ATOM 1879 O O . ALA B 1 32 ? 28.019 -1.356 38.776 1.00 26.17 ? 48 ALA B O 1 ATOM 1880 C CB . ALA B 1 32 ? 25.639 -3.017 40.506 1.00 25.83 ? 48 ALA B CB 1 ATOM 1881 N N . PRO B 1 33 ? 28.674 -2.480 40.675 1.00 27.80 ? 49 PRO B N 1 ATOM 1882 C CA . PRO B 1 33 ? 30.025 -2.597 40.150 1.00 28.25 ? 49 PRO B CA 1 ATOM 1883 C C . PRO B 1 33 ? 30.126 -3.283 38.784 1.00 29.22 ? 49 PRO B C 1 ATOM 1884 O O . PRO B 1 33 ? 31.079 -2.982 38.044 1.00 31.96 ? 49 PRO B O 1 ATOM 1885 C CB . PRO B 1 33 ? 30.718 -3.466 41.205 1.00 29.07 ? 49 PRO B CB 1 ATOM 1886 C CG . PRO B 1 33 ? 30.081 -3.034 42.539 1.00 28.77 ? 49 PRO B CG 1 ATOM 1887 C CD . PRO B 1 33 ? 28.599 -2.948 42.090 1.00 28.22 ? 49 PRO B CD 1 ATOM 1888 N N . ASN B 1 34 ? 29.189 -4.198 38.488 1.00 28.77 ? 50 ASN B N 1 ATOM 1889 C CA . ASN B 1 34 ? 29.158 -4.965 37.253 1.00 29.17 ? 50 ASN B CA 1 ATOM 1890 C C . ASN B 1 34 ? 27.895 -4.804 36.371 1.00 26.97 ? 50 ASN B C 1 ATOM 1891 O O . ASN B 1 34 ? 27.688 -5.604 35.469 1.00 26.55 ? 50 ASN B O 1 ATOM 1892 C CB . ASN B 1 34 ? 29.414 -6.455 37.590 1.00 30.99 ? 50 ASN B CB 1 ATOM 1893 C CG . ASN B 1 34 ? 28.282 -7.079 38.385 1.00 32.11 ? 50 ASN B CG 1 ATOM 1894 O OD1 . ASN B 1 34 ? 27.593 -6.424 39.183 1.00 33.01 ? 50 ASN B OD1 1 ATOM 1895 N ND2 . ASN B 1 34 ? 28.027 -8.327 38.092 1.00 32.15 ? 50 ASN B ND2 1 ATOM 1896 N N . PHE B 1 35 ? 27.072 -3.775 36.604 1.00 25.08 ? 51 PHE B N 1 ATOM 1897 C CA . PHE B 1 35 ? 25.971 -3.484 35.734 1.00 23.63 ? 51 PHE B CA 1 ATOM 1898 C C . PHE B 1 35 ? 25.913 -1.984 35.401 1.00 22.48 ? 51 PHE B C 1 ATOM 1899 O O . PHE B 1 35 ? 26.009 -1.120 36.280 1.00 22.46 ? 51 PHE B O 1 ATOM 1900 C CB . PHE B 1 35 ? 24.659 -3.838 36.353 1.00 23.58 ? 51 PHE B CB 1 ATOM 1901 C CG . PHE B 1 35 ? 24.475 -5.309 36.592 1.00 24.70 ? 51 PHE B CG 1 ATOM 1902 C CD1 . PHE B 1 35 ? 23.991 -6.141 35.588 1.00 25.60 ? 51 PHE B CD1 1 ATOM 1903 C CD2 . PHE B 1 35 ? 24.741 -5.862 37.815 1.00 25.72 ? 51 PHE B CD2 1 ATOM 1904 C CE1 . PHE B 1 35 ? 23.806 -7.500 35.811 1.00 25.82 ? 51 PHE B CE1 1 ATOM 1905 C CE2 . PHE B 1 35 ? 24.559 -7.226 38.058 1.00 26.11 ? 51 PHE B CE2 1 ATOM 1906 C CZ . PHE B 1 35 ? 24.094 -8.044 37.047 1.00 26.07 ? 51 PHE B CZ 1 ATOM 1907 N N . VAL B 1 36 ? 25.702 -1.687 34.161 1.00 21.01 ? 52 VAL B N 1 ATOM 1908 C CA . VAL B 1 36 ? 25.266 -0.359 33.739 1.00 20.79 ? 52 VAL B CA 1 ATOM 1909 C C . VAL B 1 36 ? 23.866 -0.364 33.144 1.00 20.88 ? 52 VAL B C 1 ATOM 1910 O O . VAL B 1 36 ? 23.419 -1.315 32.556 1.00 22.36 ? 52 VAL B O 1 ATOM 1911 C CB . VAL B 1 36 ? 26.251 0.333 32.768 1.00 20.47 ? 52 VAL B CB 1 ATOM 1912 C CG1 . VAL B 1 36 ? 27.660 0.339 33.377 1.00 20.96 ? 52 VAL B CG1 1 ATOM 1913 C CG2 . VAL B 1 36 ? 26.230 -0.215 31.382 1.00 19.58 ? 52 VAL B CG2 1 ATOM 1914 N N . MET B 1 37 ? 23.219 0.777 33.221 1.00 20.86 ? 53 MET B N 1 ATOM 1915 C CA . MET B 1 37 ? 21.962 0.939 32.530 1.00 20.66 ? 53 MET B CA 1 ATOM 1916 C C . MET B 1 37 ? 22.012 2.085 31.523 1.00 18.76 ? 53 MET B C 1 ATOM 1917 O O . MET B 1 37 ? 22.614 3.165 31.771 1.00 18.32 ? 53 MET B O 1 ATOM 1918 C CB . MET B 1 37 ? 20.827 1.090 33.578 1.00 21.88 ? 53 MET B CB 1 ATOM 1919 C CG . MET B 1 37 ? 20.418 2.372 34.020 1.00 22.33 ? 53 MET B CG 1 ATOM 1920 S SD . MET B 1 37 ? 19.039 2.549 35.220 1.00 23.98 ? 53 MET B SD 1 ATOM 1921 C CE . MET B 1 37 ? 19.527 4.245 35.617 1.00 22.90 ? 53 MET B CE 1 ATOM 1922 N N . SER B 1 38 ? 21.223 1.909 30.472 1.00 18.01 ? 54 SER B N 1 ATOM 1923 C CA . SER B 1 38 ? 21.209 2.818 29.347 1.00 17.31 ? 54 SER B CA 1 ATOM 1924 C C . SER B 1 38 ? 19.835 2.711 28.675 1.00 17.07 ? 54 SER B C 1 ATOM 1925 O O . SER B 1 38 ? 18.924 2.144 29.235 1.00 16.94 ? 54 SER B O 1 ATOM 1926 C CB . SER B 1 38 ? 22.436 2.490 28.388 1.00 17.56 ? 54 SER B CB 1 ATOM 1927 O OG . SER B 1 38 ? 22.578 3.439 27.319 1.00 16.20 ? 54 SER B OG 1 ATOM 1928 N N . ALA B 1 39 ? 19.720 3.262 27.467 1.00 16.28 ? 55 ALA B N 1 ATOM 1929 C CA . ALA B 1 39 ? 18.441 3.259 26.712 1.00 15.67 ? 55 ALA B CA 1 ATOM 1930 C C . ALA B 1 39 ? 18.437 2.139 25.797 1.00 15.32 ? 55 ALA B C 1 ATOM 1931 O O . ALA B 1 39 ? 19.457 1.757 25.235 1.00 15.57 ? 55 ALA B O 1 ATOM 1932 C CB . ALA B 1 39 ? 18.322 4.566 25.952 1.00 15.58 ? 55 ALA B CB 1 ATOM 1933 N N . ALA B 1 40 ? 17.298 1.490 25.638 1.00 15.97 ? 56 ALA B N 1 ATOM 1934 C CA . ALA B 1 40 ? 17.222 0.380 24.730 1.00 16.11 ? 56 ALA B CA 1 ATOM 1935 C C . ALA B 1 40 ? 17.518 0.836 23.287 1.00 15.72 ? 56 ALA B C 1 ATOM 1936 O O . ALA B 1 40 ? 18.073 0.055 22.483 1.00 15.08 ? 56 ALA B O 1 ATOM 1937 C CB . ALA B 1 40 ? 15.845 -0.257 24.810 1.00 16.97 ? 56 ALA B CB 1 ATOM 1938 N N . HIS B 1 41 ? 17.218 2.097 22.962 1.00 15.04 ? 57 HIS B N 1 ATOM 1939 C CA . HIS B 1 41 ? 17.483 2.540 21.566 1.00 15.68 ? 57 HIS B CA 1 ATOM 1940 C C . HIS B 1 41 ? 18.988 2.616 21.296 1.00 16.40 ? 57 HIS B C 1 ATOM 1941 O O . HIS B 1 41 ? 19.400 2.625 20.139 1.00 16.41 ? 57 HIS B O 1 ATOM 1942 C CB . HIS B 1 41 ? 16.724 3.804 21.198 1.00 15.14 ? 57 HIS B CB 1 ATOM 1943 C CG . HIS B 1 41 ? 17.304 5.064 21.710 1.00 15.19 ? 57 HIS B CG 1 ATOM 1944 N ND1 . HIS B 1 41 ? 16.903 5.668 22.889 1.00 15.31 ? 57 HIS B ND1 1 ATOM 1945 C CD2 . HIS B 1 41 ? 18.280 5.857 21.188 1.00 14.85 ? 57 HIS B CD2 1 ATOM 1946 C CE1 . HIS B 1 41 ? 17.528 6.822 22.998 1.00 14.89 ? 57 HIS B CE1 1 ATOM 1947 N NE2 . HIS B 1 41 ? 18.368 6.950 21.988 1.00 14.65 ? 57 HIS B NE2 1 ATOM 1948 N N . CYS B 1 42 ? 19.766 2.644 22.355 1.00 16.67 ? 58 CYS B N 1 ATOM 1949 C CA . CYS B 1 42 ? 21.253 2.702 22.270 1.00 18.03 ? 58 CYS B CA 1 ATOM 1950 C C . CYS B 1 42 ? 21.776 1.381 21.766 1.00 17.96 ? 58 CYS B C 1 ATOM 1951 O O . CYS B 1 42 ? 22.729 1.387 21.040 1.00 17.26 ? 58 CYS B O 1 ATOM 1952 C CB . CYS B 1 42 ? 21.908 3.030 23.638 1.00 17.67 ? 58 CYS B CB 1 ATOM 1953 S SG . CYS B 1 42 ? 21.765 4.740 23.960 1.00 18.42 ? 58 CYS B SG 1 ATOM 1954 N N . VAL B 1 43 ? 21.144 0.281 22.144 1.00 19.59 ? 59 VAL B N 1 ATOM 1955 C CA . VAL B 1 43 ? 21.693 -1.056 21.846 1.00 21.36 ? 59 VAL B CA 1 ATOM 1956 C C . VAL B 1 43 ? 20.894 -1.889 20.818 1.00 21.82 ? 59 VAL B C 1 ATOM 1957 O O . VAL B 1 43 ? 21.390 -2.859 20.322 1.00 22.68 ? 59 VAL B O 1 ATOM 1958 C CB . VAL B 1 43 ? 21.999 -1.882 23.093 1.00 23.70 ? 59 VAL B CB 1 ATOM 1959 C CG1 . VAL B 1 43 ? 22.902 -1.071 23.976 1.00 25.90 ? 59 VAL B CG1 1 ATOM 1960 C CG2 . VAL B 1 43 ? 20.739 -2.242 23.851 1.00 24.44 ? 59 VAL B CG2 1 ATOM 1961 N N . ALA B 1 44 ? 19.687 -1.515 20.492 1.00 23.69 ? 60 ALA B N 1 ATOM 1962 C CA . ALA B 1 44 ? 18.951 -2.074 19.323 1.00 25.82 ? 60 ALA B CA 1 ATOM 1963 C C . ALA B 1 44 ? 19.876 -1.859 18.145 1.00 27.56 ? 60 ALA B C 1 ATOM 1964 O O . ALA B 1 44 ? 20.504 -0.707 17.954 1.00 33.76 ? 60 ALA B O 1 ATOM 1965 C CB . ALA B 1 44 ? 17.702 -1.312 19.071 1.00 24.52 ? 60 ALA B CB 1 ATOM 1966 N N . ASN B 1 45 ? 20.144 -2.966 17.520 1.00 27.47 ? 61 ASN B N 1 ATOM 1967 C CA . ASN B 1 45 ? 20.991 -2.939 16.319 1.00 28.29 ? 61 ASN B CA 1 ATOM 1968 C C . ASN B 1 45 ? 22.462 -2.757 16.434 1.00 27.86 ? 61 ASN B C 1 ATOM 1969 O O . ASN B 1 45 ? 23.147 -2.726 15.392 1.00 26.20 ? 61 ASN B O 1 ATOM 1970 C CB . ASN B 1 45 ? 20.481 -1.855 15.381 1.00 29.67 ? 61 ASN B CB 1 ATOM 1971 C CG . ASN B 1 45 ? 19.018 -2.043 15.099 1.00 29.90 ? 61 ASN B CG 1 ATOM 1972 O OD1 . ASN B 1 45 ? 18.541 -3.179 14.962 1.00 27.99 ? 61 ASN B OD1 1 ATOM 1973 N ND2 . ASN B 1 45 ? 18.302 -0.956 15.076 1.00 30.81 ? 61 ASN B ND2 1 ATOM 1974 N N . VAL B 1 46 ? 22.961 -2.617 17.659 1.00 26.58 ? 62 VAL B N 1 ATOM 1975 C CA . VAL B 1 46 ? 24.419 -2.534 17.866 1.00 26.46 ? 62 VAL B CA 1 ATOM 1976 C C . VAL B 1 46 ? 24.998 -3.948 17.912 1.00 26.16 ? 62 VAL B C 1 ATOM 1977 O O . VAL B 1 46 ? 24.281 -4.918 18.273 1.00 23.52 ? 62 VAL B O 1 ATOM 1978 C CB . VAL B 1 46 ? 24.611 -1.708 19.160 1.00 27.52 ? 62 VAL B CB 1 ATOM 1979 C CG1 . VAL B 1 46 ? 24.912 -2.570 20.382 1.00 26.81 ? 62 VAL B CG1 1 ATOM 1980 C CG2 . VAL B 1 46 ? 25.591 -0.654 19.018 1.00 28.09 ? 62 VAL B CG2 1 ATOM 1981 N N . ASN B 1 47 ? 26.301 -4.107 17.604 1.00 28.40 ? 63 ASN B N 1 ATOM 1982 C CA . ASN B 1 47 ? 26.959 -5.370 18.021 1.00 31.66 ? 63 ASN B CA 1 ATOM 1983 C C . ASN B 1 47 ? 27.474 -5.282 19.371 1.00 31.87 ? 63 ASN B C 1 ATOM 1984 O O . ASN B 1 47 ? 28.521 -4.576 19.584 1.00 31.88 ? 63 ASN B O 1 ATOM 1985 C CB . ASN B 1 47 ? 28.188 -5.879 17.159 1.00 35.66 ? 63 ASN B CB 1 ATOM 1986 C CG . ASN B 1 47 ? 28.659 -7.287 17.605 1.00 39.35 ? 63 ASN B CG 1 ATOM 1987 O OD1 . ASN B 1 47 ? 27.958 -8.092 18.359 1.00 42.18 ? 63 ASN B OD1 1 ATOM 1988 N ND2 . ASN B 1 47 ? 29.862 -7.565 17.249 1.00 41.99 ? 63 ASN B ND2 1 ATOM 1989 N N . VAL B 1 48 ? 26.830 -6.021 20.260 1.00 31.70 ? 64 VAL B N 1 ATOM 1990 C CA . VAL B 1 48 ? 27.065 -5.861 21.621 1.00 36.68 ? 64 VAL B CA 1 ATOM 1991 C C . VAL B 1 48 ? 28.430 -6.463 21.987 1.00 38.29 ? 64 VAL B C 1 ATOM 1992 O O . VAL B 1 48 ? 29.092 -5.972 22.912 1.00 45.13 ? 64 VAL B O 1 ATOM 1993 C CB . VAL B 1 48 ? 25.872 -6.269 22.550 1.00 40.20 ? 64 VAL B CB 1 ATOM 1994 C CG1 . VAL B 1 48 ? 24.504 -6.205 21.815 1.00 40.34 ? 64 VAL B CG1 1 ATOM 1995 C CG2 . VAL B 1 48 ? 26.089 -7.604 23.198 1.00 41.14 ? 64 VAL B CG2 1 ATOM 1996 N N . ARG B 1 49 ? 28.889 -7.456 21.254 1.00 36.64 ? 65 ARG B N 1 ATOM 1997 C CA . ARG B 1 49 ? 30.201 -8.095 21.526 1.00 35.76 ? 65 ARG B CA 1 ATOM 1998 C C . ARG B 1 49 ? 31.306 -7.089 21.354 1.00 34.17 ? 65 ARG B C 1 ATOM 1999 O O . ARG B 1 49 ? 32.324 -7.243 21.926 1.00 41.77 ? 65 ARG B O 1 ATOM 2000 C CB . ARG B 1 49 ? 30.481 -9.378 20.642 1.00 34.29 ? 65 ARG B CB 1 ATOM 2001 C CG . ARG B 1 49 ? 31.463 -9.262 19.477 0.010 34.84 ? 65 ARG B CG 1 ATOM 2002 C CD . ARG B 1 49 ? 32.052 -10.610 19.090 0.010 35.42 ? 65 ARG B CD 1 ATOM 2003 N NE . ARG B 1 49 ? 31.034 -11.591 18.730 0.010 35.46 ? 65 ARG B NE 1 ATOM 2004 C CZ . ARG B 1 49 ? 31.308 -12.839 18.365 0.010 36.07 ? 65 ARG B CZ 1 ATOM 2005 N NH1 . ARG B 1 49 ? 32.566 -13.251 18.308 0.010 36.63 ? 65 ARG B NH1 1 ATOM 2006 N NH2 . ARG B 1 49 ? 30.325 -13.673 18.055 0.010 36.16 ? 65 ARG B NH2 1 ATOM 2007 N N . ALA B 1 50 ? 31.127 -6.088 20.547 1.00 32.08 ? 66 ALA B N 1 ATOM 2008 C CA . ALA B 1 50 ? 32.199 -5.123 20.253 1.00 32.44 ? 66 ALA B CA 1 ATOM 2009 C C . ALA B 1 50 ? 32.366 -4.037 21.325 1.00 32.33 ? 66 ALA B C 1 ATOM 2010 O O . ALA B 1 50 ? 32.709 -2.887 21.047 1.00 30.20 ? 66 ALA B O 1 ATOM 2011 C CB . ALA B 1 50 ? 31.940 -4.457 18.933 1.00 31.68 ? 66 ALA B CB 1 ATOM 2012 N N . VAL B 1 51 ? 30.827 -3.439 21.934 1.00 26.95 ? 68 VAL B N 1 ATOM 2013 C CA . VAL B 1 51 ? 30.659 -2.352 22.827 1.00 25.48 ? 68 VAL B CA 1 ATOM 2014 C C . VAL B 1 51 ? 31.740 -2.395 23.912 1.00 26.38 ? 68 VAL B C 1 ATOM 2015 O O . VAL B 1 51 ? 32.049 -3.449 24.497 1.00 25.93 ? 68 VAL B O 1 ATOM 2016 C CB . VAL B 1 51 ? 29.242 -2.344 23.362 1.00 25.62 ? 68 VAL B CB 1 ATOM 2017 C CG1 . VAL B 1 51 ? 29.080 -1.239 24.419 1.00 25.02 ? 68 VAL B CG1 1 ATOM 2018 C CG2 . VAL B 1 51 ? 28.282 -2.106 22.163 1.00 24.76 ? 68 VAL B CG2 1 ATOM 2019 N N . ARG B 1 52 ? 32.406 -1.261 24.060 1.00 26.51 ? 69 ARG B N 1 ATOM 2020 C CA . ARG B 1 52 ? 33.234 -1.027 25.266 1.00 28.83 ? 69 ARG B CA 1 ATOM 2021 C C . ARG B 1 52 ? 32.522 -0.074 26.221 1.00 25.48 ? 69 ARG B C 1 ATOM 2022 O O . ARG B 1 52 ? 31.939 0.951 25.829 1.00 24.47 ? 69 ARG B O 1 ATOM 2023 C CB . ARG B 1 52 ? 34.593 -0.522 24.869 1.00 32.59 ? 69 ARG B CB 1 ATOM 2024 C CG . ARG B 1 52 ? 35.389 -1.643 24.208 1.00 40.66 ? 69 ARG B CG 1 ATOM 2025 C CD . ARG B 1 52 ? 36.552 -1.159 23.363 1.00 48.02 ? 69 ARG B CD 1 ATOM 2026 N NE . ARG B 1 52 ? 37.794 -1.942 23.652 1.00 57.42 ? 69 ARG B NE 1 ATOM 2027 C CZ . ARG B 1 52 ? 38.319 -2.967 22.940 1.00 61.96 ? 69 ARG B CZ 1 ATOM 2028 N NH1 . ARG B 1 52 ? 37.726 -3.458 21.870 1.00 60.01 ? 69 ARG B NH1 1 ATOM 2029 N NH2 . ARG B 1 52 ? 39.466 -3.550 23.346 1.00 69.29 ? 69 ARG B NH2 1 ATOM 2030 N N . VAL B 1 53 ? 32.586 -0.418 27.480 1.00 24.53 ? 70 VAL B N 1 ATOM 2031 C CA . VAL B 1 53 ? 31.887 0.316 28.511 1.00 23.70 ? 70 VAL B CA 1 ATOM 2032 C C . VAL B 1 53 ? 33.010 1.007 29.244 1.00 25.07 ? 70 VAL B C 1 ATOM 2033 O O . VAL B 1 53 ? 33.869 0.325 29.966 1.00 23.18 ? 70 VAL B O 1 ATOM 2034 C CB . VAL B 1 53 ? 31.180 -0.651 29.457 1.00 23.94 ? 70 VAL B CB 1 ATOM 2035 C CG1 . VAL B 1 53 ? 30.437 0.121 30.578 1.00 23.93 ? 70 VAL B CG1 1 ATOM 2036 C CG2 . VAL B 1 53 ? 30.190 -1.511 28.660 1.00 24.00 ? 70 VAL B CG2 1 ATOM 2037 N N . VAL B 1 54 ? 33.005 2.334 29.090 1.00 24.27 ? 71 VAL B N 1 ATOM 2038 C CA . VAL B 1 54 ? 34.099 3.180 29.641 1.00 25.17 ? 71 VAL B CA 1 ATOM 2039 C C . VAL B 1 54 ? 33.664 3.928 30.903 1.00 25.13 ? 71 VAL B C 1 ATOM 2040 O O . VAL B 1 54 ? 32.863 4.856 30.837 1.00 24.06 ? 71 VAL B O 1 ATOM 2041 C CB . VAL B 1 54 ? 34.636 4.193 28.529 1.00 24.68 ? 71 VAL B CB 1 ATOM 2042 C CG1 . VAL B 1 54 ? 35.752 5.057 29.024 1.00 25.04 ? 71 VAL B CG1 1 ATOM 2043 C CG2 . VAL B 1 54 ? 35.141 3.418 27.316 1.00 25.35 ? 71 VAL B CG2 1 ATOM 2044 N N . LEU B 1 55 ? 34.191 3.509 32.067 1.00 26.41 ? 72 LEU B N 1 ATOM 2045 C CA . LEU B 1 55 ? 33.924 4.164 33.327 1.00 26.36 ? 72 LEU B CA 1 ATOM 2046 C C . LEU B 1 55 ? 35.055 5.212 33.599 1.00 27.83 ? 72 LEU B C 1 ATOM 2047 O O . LEU B 1 55 ? 36.148 5.107 33.047 1.00 27.86 ? 72 LEU B O 1 ATOM 2048 C CB . LEU B 1 55 ? 33.883 3.136 34.420 1.00 27.45 ? 72 LEU B CB 1 ATOM 2049 C CG . LEU B 1 55 ? 33.154 1.823 34.148 1.00 27.21 ? 72 LEU B CG 1 ATOM 2050 C CD1 . LEU B 1 55 ? 33.132 0.978 35.420 1.00 26.81 ? 72 LEU B CD1 1 ATOM 2051 C CD2 . LEU B 1 55 ? 31.747 2.154 33.662 1.00 26.30 ? 72 LEU B CD2 1 ATOM 2052 N N . GLY B 1 56 ? 34.771 6.219 34.418 1.00 27.72 ? 73 GLY B N 1 ATOM 2053 C CA . GLY B 1 56 ? 35.792 7.125 34.893 1.00 29.60 ? 73 GLY B CA 1 ATOM 2054 C C . GLY B 1 56 ? 36.289 8.040 33.815 1.00 29.85 ? 73 GLY B C 1 ATOM 2055 O O . GLY B 1 56 ? 37.427 8.542 33.887 1.00 31.71 ? 73 GLY B O 1 ATOM 2056 N N . ALA B 1 57 ? 35.459 8.318 32.822 1.00 28.28 ? 74 ALA B N 1 ATOM 2057 C CA . ALA B 1 57 ? 35.900 9.240 31.736 1.00 28.46 ? 74 ALA B CA 1 ATOM 2058 C C . ALA B 1 57 ? 35.522 10.655 31.999 1.00 27.33 ? 74 ALA B C 1 ATOM 2059 O O . ALA B 1 57 ? 34.631 10.897 32.782 1.00 27.76 ? 74 ALA B O 1 ATOM 2060 C CB . ALA B 1 57 ? 35.420 8.768 30.379 1.00 27.44 ? 74 ALA B CB 1 ATOM 2061 N N . HIS B 1 58 ? 36.252 11.596 31.381 1.00 28.82 ? 75 HIS B N 1 ATOM 2062 C CA . HIS B 1 58 ? 35.862 13.012 31.386 1.00 28.72 ? 75 HIS B CA 1 ATOM 2063 C C . HIS B 1 58 ? 36.009 13.660 30.049 1.00 28.73 ? 75 HIS B C 1 ATOM 2064 O O . HIS B 1 58 ? 35.037 14.244 29.497 1.00 28.44 ? 75 HIS B O 1 ATOM 2065 C CB . HIS B 1 58 ? 36.600 13.839 32.448 1.00 29.78 ? 75 HIS B CB 1 ATOM 2066 C CG . HIS B 1 58 ? 36.080 15.235 32.549 1.00 29.86 ? 75 HIS B CG 1 ATOM 2067 N ND1 . HIS B 1 58 ? 36.850 16.350 32.277 1.00 32.23 ? 75 HIS B ND1 1 ATOM 2068 C CD2 . HIS B 1 58 ? 34.853 15.707 32.834 1.00 30.51 ? 75 HIS B CD2 1 ATOM 2069 C CE1 . HIS B 1 58 ? 36.140 17.457 32.419 1.00 32.40 ? 75 HIS B CE1 1 ATOM 2070 N NE2 . HIS B 1 58 ? 34.910 17.087 32.744 1.00 33.61 ? 75 HIS B NE2 1 ATOM 2071 N N . ASN B 1 59 ? 37.245 13.656 29.548 1.00 29.59 ? 76 ASN B N 1 ATOM 2072 C CA . ASN B 1 59 ? 37.551 14.244 28.260 1.00 28.94 ? 76 ASN B CA 1 ATOM 2073 C C . ASN B 1 59 ? 37.808 13.131 27.279 1.00 29.00 ? 76 ASN B C 1 ATOM 2074 O O . ASN B 1 59 ? 38.872 12.494 27.323 1.00 28.09 ? 76 ASN B O 1 ATOM 2075 C CB . ASN B 1 59 ? 38.773 15.163 28.364 1.00 30.81 ? 76 ASN B CB 1 ATOM 2076 C CG . ASN B 1 59 ? 39.077 15.860 27.046 1.00 30.98 ? 76 ASN B CG 1 ATOM 2077 O OD1 . ASN B 1 59 ? 38.804 15.366 25.949 1.00 31.03 ? 76 ASN B OD1 1 ATOM 2078 N ND2 . ASN B 1 59 ? 39.682 17.018 27.161 1.00 32.11 ? 76 ASN B ND2 1 ATOM 2079 N N . LEU B 1 60 ? 36.855 12.894 26.382 1.00 28.51 ? 77 LEU B N 1 ATOM 2080 C CA . LEU B 1 60 ? 36.945 11.720 25.497 1.00 30.62 ? 77 LEU B CA 1 ATOM 2081 C C . LEU B 1 60 ? 38.046 11.807 24.440 1.00 32.68 ? 77 LEU B C 1 ATOM 2082 O O . LEU B 1 60 ? 38.464 10.788 24.016 1.00 32.10 ? 77 LEU B O 1 ATOM 2083 C CB . LEU B 1 60 ? 35.656 11.396 24.711 1.00 28.04 ? 77 LEU B CB 1 ATOM 2084 C CG . LEU B 1 60 ? 34.422 11.222 25.555 1.00 27.79 ? 77 LEU B CG 1 ATOM 2085 C CD1 . LEU B 1 60 ? 33.273 10.838 24.584 1.00 26.85 ? 77 LEU B CD1 1 ATOM 2086 C CD2 . LEU B 1 60 ? 34.666 10.166 26.595 1.00 27.85 ? 77 LEU B CD2 1 ATOM 2087 N N . SER B 1 61 ? 38.496 13.008 24.048 1.00 35.68 ? 78 SER B N 1 ATOM 2088 C CA . SER B 1 61 ? 39.563 13.167 23.048 1.00 38.37 ? 78 SER B CA 1 ATOM 2089 C C . SER B 1 61 ? 40.959 13.053 23.650 1.00 43.46 ? 78 SER B C 1 ATOM 2090 O O . SER B 1 61 ? 41.897 13.625 23.097 1.00 51.06 ? 78 SER B O 1 ATOM 2091 C CB . SER B 1 61 ? 39.472 14.567 22.453 1.00 38.03 ? 78 SER B CB 1 ATOM 2092 O OG . SER B 1 61 ? 39.812 15.511 23.455 1.00 36.24 ? 78 SER B OG 1 ATOM 2093 N N . ARG B 1 62 ? 41.100 12.343 24.752 1.00 44.33 ? 79 ARG B N 1 ATOM 2094 C CA . ARG B 1 62 ? 42.308 12.315 25.536 1.00 48.53 ? 79 ARG B CA 1 ATOM 2095 C C . ARG B 1 62 ? 42.420 10.965 26.247 1.00 47.89 ? 79 ARG B C 1 ATOM 2096 O O . ARG B 1 62 ? 41.437 10.385 26.671 1.00 44.63 ? 79 ARG B O 1 ATOM 2097 C CB . ARG B 1 62 ? 42.247 13.445 26.525 1.00 53.17 ? 79 ARG B CB 1 ATOM 2098 C CG . ARG B 1 62 ? 43.276 13.403 27.608 1.00 60.09 ? 79 ARG B CG 1 ATOM 2099 C CD . ARG B 1 62 ? 43.017 14.507 28.610 1.00 64.96 ? 79 ARG B CD 1 ATOM 2100 N NE . ARG B 1 62 ? 43.181 15.846 28.057 1.00 65.41 ? 79 ARG B NE 1 ATOM 2101 C CZ . ARG B 1 62 ? 44.258 16.628 28.227 1.00 72.23 ? 79 ARG B CZ 1 ATOM 2102 N NH1 . ARG B 1 62 ? 45.346 16.246 28.939 1.00 72.30 ? 79 ARG B NH1 1 ATOM 2103 N NH2 . ARG B 1 62 ? 44.244 17.837 27.667 1.00 75.29 ? 79 ARG B NH2 1 ATOM 2104 N N . ARG B 1 63 ? 43.655 10.509 26.381 1.00 49.25 ? 80 ARG B N 1 ATOM 2105 C CA . ARG B 1 63 ? 44.027 9.275 27.024 1.00 49.93 ? 80 ARG B CA 1 ATOM 2106 C C . ARG B 1 63 ? 43.929 9.620 28.526 1.00 46.32 ? 80 ARG B C 1 ATOM 2107 O O . ARG B 1 63 ? 44.515 10.595 29.038 1.00 47.07 ? 80 ARG B O 1 ATOM 2108 C CB . ARG B 1 63 ? 45.429 8.885 26.488 1.00 57.25 ? 80 ARG B CB 1 ATOM 2109 C CG . ARG B 1 63 ? 46.255 7.784 27.169 1.00 64.86 ? 80 ARG B CG 1 ATOM 2110 C CD . ARG B 1 63 ? 47.791 8.059 27.096 1.00 71.54 ? 80 ARG B CD 1 ATOM 2111 N NE . ARG B 1 63 ? 48.383 8.342 28.433 1.00 76.26 ? 80 ARG B NE 1 ATOM 2112 C CZ . ARG B 1 63 ? 48.251 9.478 29.160 1.00 81.16 ? 80 ARG B CZ 1 ATOM 2113 N NH1 . ARG B 1 63 ? 47.552 10.531 28.712 1.00 81.80 ? 80 ARG B NH1 1 ATOM 2114 N NH2 . ARG B 1 63 ? 48.839 9.581 30.369 1.00 81.81 ? 80 ARG B NH2 1 ATOM 2115 N N . GLU B 1 64 ? 43.101 8.878 29.230 1.00 41.17 ? 81 GLU B N 1 ATOM 2116 C CA . GLU B 1 64 ? 42.804 9.221 30.609 1.00 38.65 ? 81 GLU B CA 1 ATOM 2117 C C . GLU B 1 64 ? 43.087 7.967 31.448 1.00 41.00 ? 81 GLU B C 1 ATOM 2118 O O . GLU B 1 64 ? 42.344 7.005 31.344 1.00 39.66 ? 81 GLU B O 1 ATOM 2119 C CB . GLU B 1 64 ? 41.334 9.643 30.756 1.00 35.51 ? 81 GLU B CB 1 ATOM 2120 C CG . GLU B 1 64 ? 40.956 11.012 30.189 1.00 32.22 ? 81 GLU B CG 1 ATOM 2121 C CD . GLU B 1 64 ? 39.524 11.387 30.511 1.00 30.10 ? 81 GLU B CD 1 ATOM 2122 O OE1 . GLU B 1 64 ? 38.566 10.526 30.297 1.00 28.52 ? 81 GLU B OE1 1 ATOM 2123 O OE2 . GLU B 1 64 ? 39.290 12.519 30.966 1.00 27.35 ? 81 GLU B OE2 1 ATOM 2124 N N . PRO B 1 65 ? 44.180 7.961 32.259 1.00 44.89 ? 82 PRO B N 1 ATOM 2125 C CA . PRO B 1 65 ? 44.406 6.862 33.202 1.00 43.52 ? 82 PRO B CA 1 ATOM 2126 C C . PRO B 1 65 ? 43.318 6.604 34.232 1.00 42.57 ? 82 PRO B C 1 ATOM 2127 O O . PRO B 1 65 ? 43.278 5.510 34.743 1.00 41.62 ? 82 PRO B O 1 ATOM 2128 C CB . PRO B 1 65 ? 45.708 7.291 33.922 1.00 47.68 ? 82 PRO B CB 1 ATOM 2129 C CG . PRO B 1 65 ? 45.947 8.738 33.537 1.00 47.02 ? 82 PRO B CG 1 ATOM 2130 C CD . PRO B 1 65 ? 45.389 8.811 32.159 1.00 46.19 ? 82 PRO B CD 1 ATOM 2131 N N . THR B 1 66 ? 42.422 7.554 34.540 1.00 40.46 ? 83 THR B N 1 ATOM 2132 C CA . THR B 1 66 ? 41.303 7.249 35.464 1.00 39.33 ? 83 THR B CA 1 ATOM 2133 C C . THR B 1 66 ? 40.210 6.272 34.910 1.00 38.05 ? 83 THR B C 1 ATOM 2134 O O . THR B 1 66 ? 39.322 5.875 35.659 1.00 35.18 ? 83 THR B O 1 ATOM 2135 C CB . THR B 1 66 ? 40.551 8.524 35.830 1.00 40.69 ? 83 THR B CB 1 ATOM 2136 O OG1 . THR B 1 66 ? 40.004 9.126 34.637 1.00 38.21 ? 83 THR B OG1 1 ATOM 2137 C CG2 . THR B 1 66 ? 41.527 9.547 36.516 1.00 41.39 ? 83 THR B CG2 1 ATOM 2138 N N . ARG B 1 67 ? 40.269 5.942 33.608 1.00 35.89 ? 84 ARG B N 1 ATOM 2139 C CA . ARG B 1 67 ? 39.262 5.074 32.953 1.00 35.33 ? 84 ARG B CA 1 ATOM 2140 C C . ARG B 1 67 ? 39.410 3.611 33.253 1.00 36.19 ? 84 ARG B C 1 ATOM 2141 O O . ARG B 1 67 ? 40.523 3.144 33.420 1.00 39.12 ? 84 ARG B O 1 ATOM 2142 C CB . ARG B 1 67 ? 39.358 5.184 31.462 1.00 34.89 ? 84 ARG B CB 1 ATOM 2143 C CG . ARG B 1 67 ? 38.880 6.512 30.986 1.00 35.30 ? 84 ARG B CG 1 ATOM 2144 C CD . ARG B 1 67 ? 38.938 6.535 29.497 1.00 37.04 ? 84 ARG B CD 1 ATOM 2145 N NE . ARG B 1 67 ? 38.802 7.907 29.148 1.00 37.59 ? 84 ARG B NE 1 ATOM 2146 C CZ . ARG B 1 67 ? 38.816 8.343 27.934 1.00 39.27 ? 84 ARG B CZ 1 ATOM 2147 N NH1 . ARG B 1 67 ? 38.899 7.476 26.959 1.00 45.23 ? 84 ARG B NH1 1 ATOM 2148 N NH2 . ARG B 1 67 ? 38.704 9.628 27.678 1.00 38.71 ? 84 ARG B NH2 1 ATOM 2149 N N . GLN B 1 68 ? 38.287 2.922 33.374 1.00 34.27 ? 85 GLN B N 1 ATOM 2150 C CA . GLN B 1 68 ? 38.217 1.500 33.468 1.00 33.57 ? 85 GLN B CA 1 ATOM 2151 C C . GLN B 1 68 ? 37.295 1.101 32.305 1.00 33.37 ? 85 GLN B C 1 ATOM 2152 O O . GLN B 1 68 ? 36.206 1.679 32.167 1.00 29.68 ? 85 GLN B O 1 ATOM 2153 C CB . GLN B 1 68 ? 37.617 1.074 34.803 1.00 33.56 ? 85 GLN B CB 1 ATOM 2154 C CG . GLN B 1 68 ? 38.512 1.131 36.045 1.00 34.41 ? 85 GLN B CG 1 ATOM 2155 C CD . GLN B 1 68 ? 37.754 0.990 37.380 1.00 33.98 ? 85 GLN B CD 1 ATOM 2156 O OE1 . GLN B 1 68 ? 37.168 -0.066 37.683 1.00 35.38 ? 85 GLN B OE1 1 ATOM 2157 N NE2 . GLN B 1 68 ? 37.775 2.029 38.186 1.00 34.22 ? 85 GLN B NE2 1 ATOM 2158 N N . VAL B 1 69 ? 37.742 0.121 31.497 1.00 33.49 ? 86 VAL B N 1 ATOM 2159 C CA . VAL B 1 69 ? 37.042 -0.338 30.346 1.00 34.21 ? 86 VAL B CA 1 ATOM 2160 C C . VAL B 1 69 ? 36.537 -1.790 30.572 1.00 34.44 ? 86 VAL B C 1 ATOM 2161 O O . VAL B 1 69 ? 37.266 -2.605 31.089 1.00 35.27 ? 86 VAL B O 1 ATOM 2162 C CB . VAL B 1 69 ? 37.898 -0.176 29.081 1.00 35.88 ? 86 VAL B CB 1 ATOM 2163 C CG1 . VAL B 1 69 ? 37.104 -0.580 27.839 1.00 36.90 ? 86 VAL B CG1 1 ATOM 2164 C CG2 . VAL B 1 69 ? 38.328 1.297 28.899 1.00 36.83 ? 86 VAL B CG2 1 ATOM 2165 N N . PHE B 1 70 ? 35.254 -2.047 30.266 1.00 33.16 ? 87 PHE B N 1 ATOM 2166 C CA . PHE B 1 70 ? 34.591 -3.405 30.320 1.00 31.95 ? 87 PHE B CA 1 ATOM 2167 C C . PHE B 1 70 ? 33.878 -3.731 29.001 1.00 30.20 ? 87 PHE B C 1 ATOM 2168 O O . PHE B 1 70 ? 33.669 -2.837 28.159 1.00 28.28 ? 87 PHE B O 1 ATOM 2169 C CB . PHE B 1 70 ? 33.650 -3.538 31.545 1.00 32.23 ? 87 PHE B CB 1 ATOM 2170 C CG . PHE B 1 70 ? 34.390 -3.424 32.857 1.00 32.55 ? 87 PHE B CG 1 ATOM 2171 C CD1 . PHE B 1 70 ? 34.610 -2.183 33.437 1.00 32.34 ? 87 PHE B CD1 1 ATOM 2172 C CD2 . PHE B 1 70 ? 34.901 -4.545 33.478 1.00 33.93 ? 87 PHE B CD2 1 ATOM 2173 C CE1 . PHE B 1 70 ? 35.334 -2.053 34.602 1.00 33.52 ? 87 PHE B CE1 1 ATOM 2174 C CE2 . PHE B 1 70 ? 35.617 -4.446 34.675 1.00 34.22 ? 87 PHE B CE2 1 ATOM 2175 C CZ . PHE B 1 70 ? 35.822 -3.185 35.258 1.00 34.32 ? 87 PHE B CZ 1 ATOM 2176 N N . ALA B 1 71 ? 33.725 -5.041 28.736 1.00 31.08 ? 88 ALA B N 1 ATOM 2177 C CA . ALA B 1 71 ? 32.947 -5.549 27.652 1.00 30.20 ? 88 ALA B CA 1 ATOM 2178 C C . ALA B 1 71 ? 31.582 -5.850 28.253 1.00 28.96 ? 88 ALA B C 1 ATOM 2179 O O . ALA B 1 71 ? 31.400 -5.811 29.452 1.00 28.26 ? 88 ALA B O 1 ATOM 2180 C CB . ALA B 1 71 ? 33.581 -6.822 27.037 1.00 30.66 ? 88 ALA B CB 1 ATOM 2181 N N . VAL B 1 72 ? 30.624 -6.131 27.388 1.00 29.36 ? 89 VAL B N 1 ATOM 2182 C CA . VAL B 1 72 ? 29.249 -6.435 27.827 1.00 30.05 ? 89 VAL B CA 1 ATOM 2183 C C . VAL B 1 72 ? 29.152 -7.963 27.881 1.00 30.67 ? 89 VAL B C 1 ATOM 2184 O O . VAL B 1 72 ? 29.361 -8.649 26.900 1.00 29.15 ? 89 VAL B O 1 ATOM 2185 C CB . VAL B 1 72 ? 28.213 -5.871 26.825 1.00 29.89 ? 89 VAL B CB 1 ATOM 2186 C CG1 . VAL B 1 72 ? 26.809 -6.271 27.236 1.00 29.77 ? 89 VAL B CG1 1 ATOM 2187 C CG2 . VAL B 1 72 ? 28.324 -4.340 26.700 1.00 30.10 ? 89 VAL B CG2 1 ATOM 2188 N N . GLN B 1 73 ? 28.820 -8.516 29.017 1.00 32.41 ? 90 GLN B N 1 ATOM 2189 C CA . GLN B 1 73 ? 28.598 -9.970 29.101 1.00 33.52 ? 90 GLN B CA 1 ATOM 2190 C C . GLN B 1 73 ? 27.195 -10.407 28.696 1.00 32.38 ? 90 GLN B C 1 ATOM 2191 O O . GLN B 1 73 ? 27.057 -11.440 28.162 1.00 31.79 ? 90 GLN B O 1 ATOM 2192 C CB . GLN B 1 73 ? 28.815 -10.425 30.520 1.00 36.05 ? 90 GLN B CB 1 ATOM 2193 C CG . GLN B 1 73 ? 29.063 -11.911 30.630 1.00 38.57 ? 90 GLN B CG 1 ATOM 2194 C CD . GLN B 1 73 ? 29.637 -12.129 31.959 1.00 42.07 ? 90 GLN B CD 1 ATOM 2195 O OE1 . GLN B 1 73 ? 28.881 -12.257 32.914 1.00 46.47 ? 90 GLN B OE1 1 ATOM 2196 N NE2 . GLN B 1 73 ? 30.951 -11.977 32.084 1.00 41.87 ? 90 GLN B NE2 1 ATOM 2197 N N . ARG B 1 74 ? 26.161 -9.647 29.029 1.00 31.32 ? 91 ARG B N 1 ATOM 2198 C CA . ARG B 1 74 ? 24.855 -9.866 28.464 1.00 31.24 ? 91 ARG B CA 1 ATOM 2199 C C . ARG B 1 74 ? 24.055 -8.643 28.639 1.00 28.66 ? 91 ARG B C 1 ATOM 2200 O O . ARG B 1 74 ? 24.531 -7.694 29.287 1.00 26.11 ? 91 ARG B O 1 ATOM 2201 C CB . ARG B 1 74 ? 24.156 -11.057 29.118 1.00 34.71 ? 91 ARG B CB 1 ATOM 2202 C CG . ARG B 1 74 ? 24.053 -10.892 30.584 1.00 36.73 ? 91 ARG B CG 1 ATOM 2203 C CD . ARG B 1 74 ? 23.585 -12.143 31.224 1.00 39.83 ? 91 ARG B CD 1 ATOM 2204 N NE . ARG B 1 74 ? 22.186 -12.460 30.987 1.00 43.66 ? 91 ARG B NE 1 ATOM 2205 C CZ . ARG B 1 74 ? 21.578 -13.461 31.678 1.00 48.27 ? 91 ARG B CZ 1 ATOM 2206 N NH1 . ARG B 1 74 ? 22.246 -14.215 32.646 1.00 43.34 ? 91 ARG B NH1 1 ATOM 2207 N NH2 . ARG B 1 74 ? 20.281 -13.695 31.438 1.00 46.70 ? 91 ARG B NH2 1 ATOM 2208 N N . ILE B 1 75 ? 22.920 -8.582 27.960 1.00 27.71 ? 92 ILE B N 1 ATOM 2209 C CA . ILE B 1 75 ? 22.035 -7.443 28.149 1.00 29.00 ? 92 ILE B CA 1 ATOM 2210 C C . ILE B 1 75 ? 20.732 -7.978 28.704 1.00 27.25 ? 92 ILE B C 1 ATOM 2211 O O . ILE B 1 75 ? 20.412 -9.102 28.422 1.00 26.75 ? 92 ILE B O 1 ATOM 2212 C CB . ILE B 1 75 ? 21.778 -6.622 26.863 1.00 32.89 ? 92 ILE B CB 1 ATOM 2213 C CG1 . ILE B 1 75 ? 20.810 -7.354 25.984 1.00 38.27 ? 92 ILE B CG1 1 ATOM 2214 C CG2 . ILE B 1 75 ? 23.096 -6.207 26.133 1.00 33.35 ? 92 ILE B CG2 1 ATOM 2215 C CD1 . ILE B 1 75 ? 20.518 -6.577 24.735 1.00 42.18 ? 92 ILE B CD1 1 ATOM 2216 N N . PHE B 1 76 ? 20.027 -7.153 29.471 1.00 24.70 ? 93 PHE B N 1 ATOM 2217 C CA . PHE B 1 76 ? 18.706 -7.413 29.946 1.00 24.04 ? 93 PHE B CA 1 ATOM 2218 C C . PHE B 1 76 ? 17.803 -6.360 29.357 1.00 23.29 ? 93 PHE B C 1 ATOM 2219 O O . PHE B 1 76 ? 18.062 -5.155 29.451 1.00 19.90 ? 93 PHE B O 1 ATOM 2220 C CB . PHE B 1 76 ? 18.652 -7.328 31.508 1.00 24.81 ? 93 PHE B CB 1 ATOM 2221 C CG . PHE B 1 76 ? 19.413 -8.465 32.212 1.00 25.09 ? 93 PHE B CG 1 ATOM 2222 C CD1 . PHE B 1 76 ? 20.765 -8.334 32.512 1.00 24.94 ? 93 PHE B CD1 1 ATOM 2223 C CD2 . PHE B 1 76 ? 18.782 -9.646 32.525 1.00 24.91 ? 93 PHE B CD2 1 ATOM 2224 C CE1 . PHE B 1 76 ? 21.454 -9.353 33.136 1.00 25.07 ? 93 PHE B CE1 1 ATOM 2225 C CE2 . PHE B 1 76 ? 19.448 -10.672 33.098 1.00 25.62 ? 93 PHE B CE2 1 ATOM 2226 C CZ . PHE B 1 76 ? 20.771 -10.537 33.467 1.00 25.71 ? 93 PHE B CZ 1 ATOM 2227 N N . GLU B 1 77 ? 16.699 -6.819 28.772 1.00 23.73 ? 94 GLU B N 1 ATOM 2228 C CA . GLU B 1 77 ? 15.757 -5.910 28.140 1.00 26.64 ? 94 GLU B CA 1 ATOM 2229 C C . GLU B 1 77 ? 14.422 -6.094 28.818 1.00 25.32 ? 94 GLU B C 1 ATOM 2230 O O . GLU B 1 77 ? 14.218 -7.006 29.594 1.00 24.18 ? 94 GLU B O 1 ATOM 2231 C CB . GLU B 1 77 ? 15.599 -6.255 26.646 1.00 29.09 ? 94 GLU B CB 1 ATOM 2232 C CG . GLU B 1 77 ? 16.917 -6.589 25.901 1.00 33.56 ? 94 GLU B CG 1 ATOM 2233 C CD . GLU B 1 77 ? 16.686 -7.147 24.463 1.00 38.31 ? 94 GLU B CD 1 ATOM 2234 O OE1 . GLU B 1 77 ? 15.752 -6.682 23.785 1.00 38.02 ? 94 GLU B OE1 1 ATOM 2235 O OE2 . GLU B 1 77 ? 17.399 -8.113 24.059 1.00 46.95 ? 94 GLU B OE2 1 ATOM 2236 N N . ASN B 1 78 ? 13.431 -5.140 28.635 1.00 20.40 ? 96 ASN B N 1 ATOM 2237 C CA . ASN B 1 78 ? 12.182 -5.001 29.250 1.00 21.78 ? 96 ASN B CA 1 ATOM 2238 C C . ASN B 1 78 ? 11.095 -4.452 28.398 1.00 20.67 ? 96 ASN B C 1 ATOM 2239 O O . ASN B 1 78 ? 10.431 -3.550 28.863 1.00 19.90 ? 96 ASN B O 1 ATOM 2240 C CB . ASN B 1 78 ? 12.354 -4.117 30.526 1.00 23.31 ? 96 ASN B CB 1 ATOM 2241 C CG . ASN B 1 78 ? 11.261 -4.278 31.541 1.00 23.92 ? 96 ASN B CG 1 ATOM 2242 O OD1 . ASN B 1 78 ? 11.024 -3.365 32.375 1.00 27.11 ? 96 ASN B OD1 1 ATOM 2243 N ND2 . ASN B 1 78 ? 10.592 -5.332 31.501 1.00 24.29 ? 96 ASN B ND2 1 ATOM 2244 N N . GLY B 1 79 ? 10.847 -5.100 27.247 1.00 20.24 ? 97 GLY B N 1 ATOM 2245 C CA . GLY B 1 79 ? 9.648 -4.831 26.374 1.00 20.52 ? 97 GLY B CA 1 ATOM 2246 C C . GLY B 1 79 ? 9.763 -3.450 25.752 1.00 19.95 ? 97 GLY B C 1 ATOM 2247 O O . GLY B 1 79 ? 8.804 -2.707 25.667 1.00 20.69 ? 97 GLY B O 1 ATOM 2248 N N . TYR B 1 80 ? 10.980 -3.073 25.398 1.00 18.51 ? 98 TYR B N 1 ATOM 2249 C CA . TYR B 1 80 ? 11.252 -1.871 24.584 1.00 18.70 ? 98 TYR B CA 1 ATOM 2250 C C . TYR B 1 80 ? 10.262 -1.823 23.426 1.00 18.71 ? 98 TYR B C 1 ATOM 2251 O O . TYR B 1 80 ? 10.149 -2.752 22.746 1.00 18.79 ? 98 TYR B O 1 ATOM 2252 C CB . TYR B 1 80 ? 12.656 -1.952 24.053 1.00 17.98 ? 98 TYR B CB 1 ATOM 2253 C CG . TYR B 1 80 ? 13.019 -0.850 23.079 1.00 17.78 ? 98 TYR B CG 1 ATOM 2254 C CD1 . TYR B 1 80 ? 12.713 0.465 23.348 1.00 18.09 ? 98 TYR B CD1 1 ATOM 2255 C CD2 . TYR B 1 80 ? 13.712 -1.135 21.900 1.00 17.67 ? 98 TYR B CD2 1 ATOM 2256 C CE1 . TYR B 1 80 ? 13.087 1.498 22.472 1.00 17.95 ? 98 TYR B CE1 1 ATOM 2257 C CE2 . TYR B 1 80 ? 14.180 -0.082 21.059 1.00 17.85 ? 98 TYR B CE2 1 ATOM 2258 C CZ . TYR B 1 80 ? 13.789 1.230 21.334 1.00 17.43 ? 98 TYR B CZ 1 ATOM 2259 O OH . TYR B 1 80 ? 14.123 2.337 20.521 1.00 17.81 ? 98 TYR B OH 1 ATOM 2260 N N . ASP B 1 81 ? 9.501 -0.766 23.285 1.00 19.24 ? 99 ASP B N 1 ATOM 2261 C CA . ASP B 1 81 ? 8.501 -0.666 22.223 1.00 20.12 ? 99 ASP B CA 1 ATOM 2262 C C . ASP B 1 81 ? 8.661 0.690 21.505 1.00 19.38 ? 99 ASP B C 1 ATOM 2263 O O . ASP B 1 81 ? 8.043 1.681 21.860 1.00 19.21 ? 99 ASP B O 1 ATOM 2264 C CB . ASP B 1 81 ? 7.079 -0.895 22.727 1.00 21.56 ? 99 ASP B CB 1 ATOM 2265 C CG . ASP B 1 81 ? 6.001 -0.717 21.595 1.00 23.37 ? 99 ASP B CG 1 ATOM 2266 O OD1 . ASP B 1 81 ? 6.310 -0.264 20.433 1.00 22.50 ? 99 ASP B OD1 1 ATOM 2267 O OD2 . ASP B 1 81 ? 4.846 -0.860 21.950 1.00 25.14 ? 99 ASP B OD2 1 ATOM 2268 N N . PRO B 1 82 ? 9.593 0.754 20.545 1.00 19.42 ? 100 PRO B N 1 ATOM 2269 C CA . PRO B 1 82 ? 10.010 2.091 20.065 1.00 18.85 ? 100 PRO B CA 1 ATOM 2270 C C . PRO B 1 82 ? 8.889 2.904 19.416 1.00 18.97 ? 100 PRO B C 1 ATOM 2271 O O . PRO B 1 82 ? 8.827 4.160 19.582 1.00 17.81 ? 100 PRO B O 1 ATOM 2272 C CB . PRO B 1 82 ? 11.094 1.803 19.053 1.00 18.12 ? 100 PRO B CB 1 ATOM 2273 C CG . PRO B 1 82 ? 11.024 0.316 18.762 1.00 18.45 ? 100 PRO B CG 1 ATOM 2274 C CD . PRO B 1 82 ? 10.461 -0.323 20.016 1.00 19.51 ? 100 PRO B CD 1 ATOM 2275 N N . VAL B 1 83 ? 8.031 2.207 18.704 1.00 20.21 ? 101 VAL B N 1 ATOM 2276 C CA . VAL B 1 83 ? 6.966 2.979 17.959 1.00 21.30 ? 101 VAL B CA 1 ATOM 2277 C C . VAL B 1 83 ? 6.090 3.618 19.006 1.00 20.54 ? 101 VAL B C 1 ATOM 2278 O O . VAL B 1 83 ? 5.609 4.768 18.824 1.00 20.19 ? 101 VAL B O 1 ATOM 2279 C CB . VAL B 1 83 ? 6.182 2.046 17.045 1.00 22.07 ? 101 VAL B CB 1 ATOM 2280 C CG1 . VAL B 1 83 ? 5.021 2.730 16.403 1.00 22.30 ? 101 VAL B CG1 1 ATOM 2281 C CG2 . VAL B 1 83 ? 7.075 1.436 15.989 1.00 22.61 ? 101 VAL B CG2 1 ATOM 2282 N N . ASN B 1 84 ? 5.862 2.896 20.113 1.00 20.44 ? 102 ASN B N 1 ATOM 2283 C CA . ASN B 1 84 ? 5.056 3.519 21.145 1.00 20.52 ? 102 ASN B CA 1 ATOM 2284 C C . ASN B 1 84 ? 5.864 4.280 22.196 1.00 19.70 ? 102 ASN B C 1 ATOM 2285 O O . ASN B 1 84 ? 5.237 4.851 23.132 1.00 18.91 ? 102 ASN B O 1 ATOM 2286 C CB . ASN B 1 84 ? 4.076 2.542 21.774 1.00 22.28 ? 102 ASN B CB 1 ATOM 2287 C CG . ASN B 1 84 ? 3.098 1.966 20.754 1.00 24.57 ? 102 ASN B CG 1 ATOM 2288 O OD1 . ASN B 1 84 ? 2.363 2.680 20.098 1.00 25.61 ? 102 ASN B OD1 1 ATOM 2289 N ND2 . ASN B 1 84 ? 3.198 0.701 20.525 1.00 26.10 ? 102 ASN B ND2 1 ATOM 2290 N N . LEU B 1 85 ? 7.194 4.357 22.006 1.00 17.79 ? 103 LEU B N 1 ATOM 2291 C CA . LEU B 1 85 ? 8.100 5.139 22.871 1.00 17.59 ? 103 LEU B CA 1 ATOM 2292 C C . LEU B 1 85 ? 8.059 4.687 24.350 1.00 17.44 ? 103 LEU B C 1 ATOM 2293 O O . LEU B 1 85 ? 8.204 5.486 25.231 1.00 17.71 ? 103 LEU B O 1 ATOM 2294 C CB . LEU B 1 85 ? 7.799 6.601 22.750 1.00 18.08 ? 103 LEU B CB 1 ATOM 2295 C CG . LEU B 1 85 ? 7.851 7.242 21.328 1.00 18.35 ? 103 LEU B CG 1 ATOM 2296 C CD1 . LEU B 1 85 ? 7.205 8.608 21.233 1.00 18.97 ? 103 LEU B CD1 1 ATOM 2297 C CD2 . LEU B 1 85 ? 9.260 7.345 20.846 1.00 18.23 ? 103 LEU B CD2 1 ATOM 2298 N N . LEU B 1 86 ? 7.892 3.377 24.564 1.00 17.44 ? 104 LEU B N 1 ATOM 2299 C CA . LEU B 1 86 ? 7.782 2.754 25.863 1.00 18.07 ? 104 LEU B CA 1 ATOM 2300 C C . LEU B 1 86 ? 9.015 1.917 26.170 1.00 17.33 ? 104 LEU B C 1 ATOM 2301 O O . LEU B 1 86 ? 9.578 1.273 25.291 1.00 15.75 ? 104 LEU B O 1 ATOM 2302 C CB . LEU B 1 86 ? 6.527 1.815 25.887 1.00 18.79 ? 104 LEU B CB 1 ATOM 2303 C CG . LEU B 1 86 ? 5.174 2.483 25.689 1.00 19.19 ? 104 LEU B CG 1 ATOM 2304 C CD1 . LEU B 1 86 ? 4.100 1.393 25.717 1.00 20.54 ? 104 LEU B CD1 1 ATOM 2305 C CD2 . LEU B 1 86 ? 4.980 3.465 26.807 1.00 20.00 ? 104 LEU B CD2 1 ATOM 2306 N N . ASN B 1 87 ? 9.333 1.880 27.465 1.00 17.68 ? 105 ASN B N 1 ATOM 2307 C CA . ASN B 1 87 ? 10.364 0.963 28.017 1.00 17.76 ? 105 ASN B CA 1 ATOM 2308 C C . ASN B 1 87 ? 11.726 1.071 27.338 1.00 16.90 ? 105 ASN B C 1 ATOM 2309 O O . ASN B 1 87 ? 12.365 0.078 26.988 1.00 16.95 ? 105 ASN B O 1 ATOM 2310 C CB . ASN B 1 87 ? 9.932 -0.470 27.996 1.00 19.43 ? 105 ASN B CB 1 ATOM 2311 C CG . ASN B 1 87 ? 8.518 -0.695 28.589 1.00 22.17 ? 105 ASN B CG 1 ATOM 2312 O OD1 . ASN B 1 87 ? 8.091 0.000 29.443 1.00 22.57 ? 105 ASN B OD1 1 ATOM 2313 N ND2 . ASN B 1 87 ? 7.755 -1.587 27.948 1.00 24.96 ? 105 ASN B ND2 1 ATOM 2314 N N . ASP B 1 88 ? 12.172 2.287 27.158 1.00 16.15 ? 106 ASP B N 1 ATOM 2315 C CA . ASP B 1 88 ? 13.490 2.556 26.555 1.00 15.57 ? 106 ASP B CA 1 ATOM 2316 C C . ASP B 1 88 ? 14.627 2.503 27.621 1.00 15.19 ? 106 ASP B C 1 ATOM 2317 O O . ASP B 1 88 ? 15.303 3.489 27.939 1.00 14.76 ? 106 ASP B O 1 ATOM 2318 C CB . ASP B 1 88 ? 13.421 3.907 25.832 1.00 14.73 ? 106 ASP B CB 1 ATOM 2319 C CG . ASP B 1 88 ? 14.607 4.181 24.931 1.00 14.17 ? 106 ASP B CG 1 ATOM 2320 O OD1 . ASP B 1 88 ? 15.363 3.272 24.730 1.00 13.36 ? 106 ASP B OD1 1 ATOM 2321 O OD2 . ASP B 1 88 ? 14.780 5.379 24.532 1.00 13.77 ? 106 ASP B OD2 1 ATOM 2322 N N . ILE B 1 89 ? 14.862 1.281 28.048 1.00 15.87 ? 107 ILE B N 1 ATOM 2323 C CA . ILE B 1 89 ? 15.829 0.968 29.162 1.00 16.42 ? 107 ILE B CA 1 ATOM 2324 C C . ILE B 1 89 ? 16.438 -0.407 28.860 1.00 16.54 ? 107 ILE B C 1 ATOM 2325 O O . ILE B 1 89 ? 15.779 -1.311 28.389 1.00 16.63 ? 107 ILE B O 1 ATOM 2326 C CB . ILE B 1 89 ? 15.126 0.994 30.555 1.00 16.57 ? 107 ILE B CB 1 ATOM 2327 C CG1 . ILE B 1 89 ? 16.190 0.876 31.638 1.00 17.43 ? 107 ILE B CG1 1 ATOM 2328 C CG2 . ILE B 1 89 ? 14.012 -0.089 30.657 1.00 16.87 ? 107 ILE B CG2 1 ATOM 2329 C CD1 . ILE B 1 89 ? 15.658 1.083 33.024 1.00 17.87 ? 107 ILE B CD1 1 ATOM 2330 N N . VAL B 1 90 ? 17.697 -0.556 29.074 1.00 16.91 ? 108 VAL B N 1 ATOM 2331 C CA . VAL B 1 90 ? 18.367 -1.830 29.044 1.00 18.00 ? 108 VAL B CA 1 ATOM 2332 C C . VAL B 1 90 ? 19.357 -1.833 30.176 1.00 18.67 ? 108 VAL B C 1 ATOM 2333 O O . VAL B 1 90 ? 19.811 -0.725 30.614 1.00 19.99 ? 108 VAL B O 1 ATOM 2334 C CB . VAL B 1 90 ? 19.074 -1.943 27.659 1.00 19.57 ? 108 VAL B CB 1 ATOM 2335 C CG1 . VAL B 1 90 ? 20.088 -0.829 27.400 1.00 18.65 ? 108 VAL B CG1 1 ATOM 2336 C CG2 . VAL B 1 90 ? 19.837 -3.214 27.515 1.00 21.79 ? 108 VAL B CG2 1 ATOM 2337 N N . ILE B 1 91 ? 19.741 -2.988 30.679 1.00 18.62 ? 109 ILE B N 1 ATOM 2338 C CA . ILE B 1 91 ? 20.911 -3.128 31.539 1.00 19.30 ? 109 ILE B CA 1 ATOM 2339 C C . ILE B 1 91 ? 21.916 -3.969 30.857 1.00 19.85 ? 109 ILE B C 1 ATOM 2340 O O . ILE B 1 91 ? 21.580 -4.968 30.292 1.00 20.48 ? 109 ILE B O 1 ATOM 2341 C CB . ILE B 1 91 ? 20.470 -3.746 32.902 1.00 19.91 ? 109 ILE B CB 1 ATOM 2342 C CG1 . ILE B 1 91 ? 19.721 -2.688 33.693 1.00 19.96 ? 109 ILE B CG1 1 ATOM 2343 C CG2 . ILE B 1 91 ? 21.561 -4.275 33.764 1.00 20.29 ? 109 ILE B CG2 1 ATOM 2344 C CD1 . ILE B 1 91 ? 19.025 -3.171 34.943 1.00 20.39 ? 109 ILE B CD1 1 ATOM 2345 N N . LEU B 1 92 ? 23.155 -3.521 30.912 1.00 20.32 ? 110 LEU B N 1 ATOM 2346 C CA . LEU B 1 92 ? 24.279 -4.229 30.406 1.00 21.70 ? 110 LEU B CA 1 ATOM 2347 C C . LEU B 1 92 ? 25.066 -4.749 31.595 1.00 22.18 ? 110 LEU B C 1 ATOM 2348 O O . LEU B 1 92 ? 25.437 -3.944 32.475 1.00 22.01 ? 110 LEU B O 1 ATOM 2349 C CB . LEU B 1 92 ? 25.182 -3.321 29.527 1.00 22.27 ? 110 LEU B CB 1 ATOM 2350 C CG . LEU B 1 92 ? 24.481 -2.466 28.505 1.00 23.76 ? 110 LEU B CG 1 ATOM 2351 C CD1 . LEU B 1 92 ? 25.512 -1.703 27.663 1.00 25.20 ? 110 LEU B CD1 1 ATOM 2352 C CD2 . LEU B 1 92 ? 23.715 -3.378 27.617 1.00 24.68 ? 110 LEU B CD2 1 ATOM 2353 N N . GLN B 1 93 ? 25.288 -6.053 31.607 1.00 22.66 ? 111 GLN B N 1 ATOM 2354 C CA . GLN B 1 93 ? 26.078 -6.701 32.592 1.00 25.24 ? 111 GLN B CA 1 ATOM 2355 C C . GLN B 1 93 ? 27.523 -6.696 32.054 1.00 26.39 ? 111 GLN B C 1 ATOM 2356 O O . GLN B 1 93 ? 27.755 -7.139 30.911 1.00 27.07 ? 111 GLN B O 1 ATOM 2357 C CB . GLN B 1 93 ? 25.613 -8.112 32.827 1.00 26.67 ? 111 GLN B CB 1 ATOM 2358 C CG . GLN B 1 93 ? 26.430 -8.781 33.945 1.00 29.02 ? 111 GLN B CG 1 ATOM 2359 C CD . GLN B 1 93 ? 26.012 -10.204 34.221 1.00 30.76 ? 111 GLN B CD 1 ATOM 2360 O OE1 . GLN B 1 93 ? 24.917 -10.639 33.950 1.00 28.89 ? 111 GLN B OE1 1 ATOM 2361 N NE2 . GLN B 1 93 ? 26.897 -10.909 34.828 1.00 33.37 ? 111 GLN B NE2 1 ATOM 2362 N N . LEU B 1 94 ? 28.442 -6.145 32.853 1.00 26.67 ? 112 LEU B N 1 ATOM 2363 C CA . LEU B 1 94 ? 29.853 -6.092 32.528 1.00 27.93 ? 112 LEU B CA 1 ATOM 2364 C C . LEU B 1 94 ? 30.544 -7.447 32.716 1.00 29.85 ? 112 LEU B C 1 ATOM 2365 O O . LEU B 1 94 ? 30.085 -8.283 33.487 1.00 30.20 ? 112 LEU B O 1 ATOM 2366 C CB . LEU B 1 94 ? 30.490 -5.078 33.428 1.00 28.06 ? 112 LEU B CB 1 ATOM 2367 C CG . LEU B 1 94 ? 29.843 -3.678 33.411 1.00 28.03 ? 112 LEU B CG 1 ATOM 2368 C CD1 . LEU B 1 94 ? 30.774 -2.698 34.112 1.00 27.42 ? 112 LEU B CD1 1 ATOM 2369 C CD2 . LEU B 1 94 ? 29.578 -3.204 32.008 1.00 26.98 ? 112 LEU B CD2 1 ATOM 2370 N N . ASN B 1 95 ? 31.672 -7.615 32.029 1.00 33.14 ? 113 ASN B N 1 ATOM 2371 C CA . ASN B 1 95 ? 32.537 -8.798 32.110 1.00 35.55 ? 113 ASN B CA 1 ATOM 2372 C C . ASN B 1 95 ? 33.471 -8.775 33.290 1.00 37.59 ? 113 ASN B C 1 ATOM 2373 O O . ASN B 1 95 ? 34.320 -9.594 33.376 1.00 43.52 ? 113 ASN B O 1 ATOM 2374 C CB . ASN B 1 95 ? 33.368 -9.000 30.815 1.00 37.42 ? 113 ASN B CB 1 ATOM 2375 C CG . ASN B 1 95 ? 34.478 -7.982 30.675 1.00 40.07 ? 113 ASN B CG 1 ATOM 2376 O OD1 . ASN B 1 95 ? 34.290 -6.821 31.070 1.00 36.94 ? 113 ASN B OD1 1 ATOM 2377 N ND2 . ASN B 1 95 ? 35.639 -8.391 30.101 1.00 43.46 ? 113 ASN B ND2 1 ATOM 2378 N N . GLY B 1 96 ? 33.291 -7.878 34.220 1.00 36.53 ? 114 GLY B N 1 ATOM 2379 C CA . GLY B 1 96 ? 33.984 -7.911 35.465 1.00 36.98 ? 114 GLY B CA 1 ATOM 2380 C C . GLY B 1 96 ? 33.301 -6.854 36.287 1.00 37.03 ? 114 GLY B C 1 ATOM 2381 O O . GLY B 1 96 ? 32.228 -6.328 35.889 1.00 38.24 ? 114 GLY B O 1 ATOM 2382 N N . SER B 1 97 ? 33.930 -6.507 37.390 1.00 37.18 ? 115 SER B N 1 ATOM 2383 C CA . SER B 1 97 ? 33.443 -5.474 38.292 1.00 38.32 ? 115 SER B CA 1 ATOM 2384 C C . SER B 1 97 ? 34.385 -4.281 38.320 1.00 36.93 ? 115 SER B C 1 ATOM 2385 O O . SER B 1 97 ? 35.626 -4.439 38.345 1.00 36.32 ? 115 SER B O 1 ATOM 2386 C CB . SER B 1 97 ? 33.313 -6.051 39.699 1.00 39.34 ? 115 SER B CB 1 ATOM 2387 O OG . SER B 1 97 ? 32.431 -7.159 39.583 1.00 39.90 ? 115 SER B OG 1 ATOM 2388 N N . ALA B 1 98 ? 33.779 -3.098 38.336 1.00 34.42 ? 116 ALA B N 1 ATOM 2389 C CA . ALA B 1 98 ? 34.518 -1.856 38.481 1.00 32.75 ? 116 ALA B CA 1 ATOM 2390 C C . ALA B 1 98 ? 35.221 -1.762 39.876 1.00 34.64 ? 116 ALA B C 1 ATOM 2391 O O . ALA B 1 98 ? 34.609 -2.079 40.899 1.00 32.58 ? 116 ALA B O 1 ATOM 2392 C CB . ALA B 1 98 ? 33.556 -0.703 38.338 1.00 30.92 ? 116 ALA B CB 1 ATOM 2393 N N . THR B 1 99 ? 36.412 -1.176 39.905 1.00 35.21 ? 117 THR B N 1 ATOM 2394 C CA . THR B 1 99 ? 36.932 -0.729 41.163 1.00 39.03 ? 117 THR B CA 1 ATOM 2395 C C . THR B 1 99 ? 36.385 0.657 41.472 1.00 39.55 ? 117 THR B C 1 ATOM 2396 O O . THR B 1 99 ? 36.593 1.653 40.733 1.00 40.37 ? 117 THR B O 1 ATOM 2397 C CB . THR B 1 99 ? 38.445 -0.714 41.171 1.00 40.92 ? 117 THR B CB 1 ATOM 2398 O OG1 . THR B 1 99 ? 38.931 -1.928 40.577 1.00 42.07 ? 117 THR B OG1 1 ATOM 2399 C CG2 . THR B 1 99 ? 38.994 -0.587 42.616 1.00 42.77 ? 117 THR B CG2 1 ATOM 2400 N N . ILE B 1 100 ? 35.727 0.699 42.617 1.00 38.34 ? 118 ILE B N 1 ATOM 2401 C CA . ILE B 1 100 ? 35.070 1.853 43.078 1.00 37.15 ? 118 ILE B CA 1 ATOM 2402 C C . ILE B 1 100 ? 36.087 2.796 43.666 1.00 37.79 ? 118 ILE B C 1 ATOM 2403 O O . ILE B 1 100 ? 36.814 2.409 44.555 1.00 39.90 ? 118 ILE B O 1 ATOM 2404 C CB . ILE B 1 100 ? 34.078 1.458 44.177 1.00 37.00 ? 118 ILE B CB 1 ATOM 2405 C CG1 . ILE B 1 100 ? 33.042 0.510 43.595 1.00 36.91 ? 118 ILE B CG1 1 ATOM 2406 C CG2 . ILE B 1 100 ? 33.462 2.672 44.891 1.00 35.94 ? 118 ILE B CG2 1 ATOM 2407 C CD1 . ILE B 1 100 ? 32.461 0.847 42.201 1.00 37.07 ? 118 ILE B CD1 1 ATOM 2408 N N . ASN B 1 101 ? 36.111 4.021 43.191 1.00 36.14 ? 119 ASN B N 1 ATOM 2409 C CA . ASN B 1 101 ? 36.983 5.027 43.689 1.00 36.95 ? 119 ASN B CA 1 ATOM 2410 C C . ASN B 1 101 ? 36.426 6.433 43.518 1.00 36.78 ? 119 ASN B C 1 ATOM 2411 O O . ASN B 1 101 ? 35.209 6.585 43.393 1.00 35.55 ? 119 ASN B O 1 ATOM 2412 C CB . ASN B 1 101 ? 38.356 4.835 43.064 1.00 37.62 ? 119 ASN B CB 1 ATOM 2413 C CG . ASN B 1 101 ? 38.374 4.931 41.558 1.00 35.55 ? 119 ASN B CG 1 ATOM 2414 O OD1 . ASN B 1 101 ? 39.118 4.214 40.931 1.00 38.05 ? 119 ASN B OD1 1 ATOM 2415 N ND2 . ASN B 1 101 ? 37.640 5.798 40.983 1.00 34.13 ? 119 ASN B ND2 1 ATOM 2416 N N . ALA B 1 102 ? 37.300 7.441 43.557 1.00 36.80 ? 120 ALA B N 1 ATOM 2417 C CA . ALA B 1 102 ? 36.865 8.805 43.434 1.00 37.70 ? 120 ALA B CA 1 ATOM 2418 C C . ALA B 1 102 ? 36.091 9.034 42.074 1.00 36.70 ? 120 ALA B C 1 ATOM 2419 O O . ALA B 1 102 ? 35.034 9.692 42.043 1.00 36.36 ? 120 ALA B O 1 ATOM 2420 C CB . ALA B 1 102 ? 38.056 9.744 43.543 1.00 38.41 ? 120 ALA B CB 1 ATOM 2421 N N . ASN B 1 103 ? 36.654 8.487 40.999 1.00 35.91 ? 121 ASN B N 1 ATOM 2422 C CA . ASN B 1 103 ? 36.194 8.606 39.671 1.00 35.11 ? 121 ASN B CA 1 ATOM 2423 C C . ASN B 1 103 ? 35.065 7.660 39.161 1.00 33.39 ? 121 ASN B C 1 ATOM 2424 O O . ASN B 1 103 ? 34.528 7.877 38.066 1.00 32.87 ? 121 ASN B O 1 ATOM 2425 C CB . ASN B 1 103 ? 37.412 8.440 38.733 1.00 36.14 ? 121 ASN B CB 1 ATOM 2426 C CG . ASN B 1 103 ? 38.537 9.398 39.054 1.00 38.55 ? 121 ASN B CG 1 ATOM 2427 O OD1 . ASN B 1 103 ? 39.739 9.011 39.154 1.00 42.01 ? 121 ASN B OD1 1 ATOM 2428 N ND2 . ASN B 1 103 ? 38.184 10.627 39.253 1.00 38.60 ? 121 ASN B ND2 1 ATOM 2429 N N . VAL B 1 104 ? 34.783 6.608 39.910 1.00 31.67 ? 122 VAL B N 1 ATOM 2430 C CA . VAL B 1 104 ? 33.978 5.462 39.465 1.00 31.07 ? 122 VAL B CA 1 ATOM 2431 C C . VAL B 1 104 ? 33.165 5.084 40.688 1.00 31.93 ? 122 VAL B C 1 ATOM 2432 O O . VAL B 1 104 ? 33.722 4.565 41.681 1.00 31.08 ? 122 VAL B O 1 ATOM 2433 C CB . VAL B 1 104 ? 34.813 4.300 38.869 1.00 30.17 ? 122 VAL B CB 1 ATOM 2434 C CG1 . VAL B 1 104 ? 33.929 3.166 38.486 1.00 29.92 ? 122 VAL B CG1 1 ATOM 2435 C CG2 . VAL B 1 104 ? 35.650 4.751 37.659 1.00 29.78 ? 122 VAL B CG2 1 ATOM 2436 N N . GLN B 1 105 ? 31.876 5.469 40.665 1.00 31.95 ? 123 GLN B N 1 ATOM 2437 C CA . GLN B 1 105 ? 30.911 5.210 41.795 1.00 32.54 ? 123 GLN B CA 1 ATOM 2438 C C . GLN B 1 105 ? 29.570 4.781 41.236 1.00 30.44 ? 123 GLN B C 1 ATOM 2439 O O . GLN B 1 105 ? 29.221 5.139 40.074 1.00 28.31 ? 123 GLN B O 1 ATOM 2440 C CB . GLN B 1 105 ? 30.706 6.429 42.688 1.00 35.57 ? 123 GLN B CB 1 ATOM 2441 C CG . GLN B 1 105 ? 31.992 6.682 43.398 1.00 40.91 ? 123 GLN B CG 1 ATOM 2442 C CD . GLN B 1 105 ? 31.946 7.824 44.306 1.00 44.60 ? 123 GLN B CD 1 ATOM 2443 O OE1 . GLN B 1 105 ? 32.801 8.686 44.224 1.00 50.73 ? 123 GLN B OE1 1 ATOM 2444 N NE2 . GLN B 1 105 ? 30.943 7.872 45.173 1.00 47.09 ? 123 GLN B NE2 1 ATOM 2445 N N . VAL B 1 106 ? 28.868 3.993 42.033 1.00 27.61 ? 124 VAL B N 1 ATOM 2446 C CA . VAL B 1 106 ? 27.597 3.442 41.653 1.00 27.35 ? 124 VAL B CA 1 ATOM 2447 C C . VAL B 1 106 ? 26.568 4.504 41.945 1.00 27.17 ? 124 VAL B C 1 ATOM 2448 O O . VAL B 1 106 ? 26.553 5.026 43.010 1.00 25.96 ? 124 VAL B O 1 ATOM 2449 C CB . VAL B 1 106 ? 27.312 2.189 42.507 1.00 28.51 ? 124 VAL B CB 1 ATOM 2450 C CG1 . VAL B 1 106 ? 25.866 1.791 42.498 1.00 28.80 ? 124 VAL B CG1 1 ATOM 2451 C CG2 . VAL B 1 106 ? 28.188 1.024 42.028 1.00 28.26 ? 124 VAL B CG2 1 ATOM 2452 N N . ALA B 1 107 ? 25.675 4.770 41.007 1.00 25.71 ? 125 ALA B N 1 ATOM 2453 C CA . ALA B 1 107 ? 24.620 5.688 41.221 1.00 25.37 ? 125 ALA B CA 1 ATOM 2454 C C . ALA B 1 107 ? 23.556 5.144 42.209 1.00 26.17 ? 125 ALA B C 1 ATOM 2455 O O . ALA B 1 107 ? 23.455 3.947 42.396 1.00 25.97 ? 125 ALA B O 1 ATOM 2456 C CB . ALA B 1 107 ? 23.960 6.040 39.939 1.00 24.59 ? 125 ALA B CB 1 ATOM 2457 N N . GLN B 1 108 ? 22.694 6.063 42.624 1.00 26.64 ? 126 GLN B N 1 ATOM 2458 C CA . GLN B 1 108 ? 21.613 5.862 43.493 1.00 30.77 ? 126 GLN B CA 1 ATOM 2459 C C . GLN B 1 108 ? 20.281 6.005 42.781 1.00 28.18 ? 126 GLN B C 1 ATOM 2460 O O . GLN B 1 108 ? 20.082 6.982 42.013 1.00 26.55 ? 126 GLN B O 1 ATOM 2461 C CB . GLN B 1 108 ? 21.712 7.015 44.486 1.00 36.11 ? 126 GLN B CB 1 ATOM 2462 C CG . GLN B 1 108 ? 21.489 6.640 45.846 1.00 42.90 ? 126 GLN B CG 1 ATOM 2463 C CD . GLN B 1 108 ? 22.629 5.894 46.446 1.00 49.62 ? 126 GLN B CD 1 ATOM 2464 O OE1 . GLN B 1 108 ? 22.790 4.677 46.264 1.00 58.69 ? 126 GLN B OE1 1 ATOM 2465 N NE2 . GLN B 1 108 ? 23.379 6.594 47.254 1.00 53.52 ? 126 GLN B NE2 1 ATOM 2466 N N . LEU B 1 109 ? 19.327 5.156 43.119 1.00 25.43 ? 127 LEU B N 1 ATOM 2467 C CA . LEU B 1 109 ? 18.063 5.168 42.430 1.00 25.49 ? 127 LEU B CA 1 ATOM 2468 C C . LEU B 1 109 ? 16.849 5.498 43.341 1.00 24.49 ? 127 LEU B C 1 ATOM 2469 O O . LEU B 1 109 ? 16.879 5.235 44.559 1.00 25.98 ? 127 LEU B O 1 ATOM 2470 C CB . LEU B 1 109 ? 17.910 3.791 41.782 1.00 26.44 ? 127 LEU B CB 1 ATOM 2471 C CG . LEU B 1 109 ? 19.031 3.278 40.844 1.00 27.20 ? 127 LEU B CG 1 ATOM 2472 C CD1 . LEU B 1 109 ? 18.697 1.966 40.165 1.00 28.12 ? 127 LEU B CD1 1 ATOM 2473 C CD2 . LEU B 1 109 ? 19.294 4.331 39.771 1.00 26.96 ? 127 LEU B CD2 1 ATOM 2474 N N . PRO B 1 110 ? 15.789 6.051 42.773 1.00 23.72 ? 128 PRO B N 1 ATOM 2475 C CA . PRO B 1 110 ? 14.563 6.293 43.470 1.00 24.13 ? 128 PRO B CA 1 ATOM 2476 C C . PRO B 1 110 ? 13.814 4.995 43.764 1.00 24.65 ? 128 PRO B C 1 ATOM 2477 O O . PRO B 1 110 ? 14.183 3.882 43.265 1.00 23.46 ? 128 PRO B O 1 ATOM 2478 C CB . PRO B 1 110 ? 13.724 7.110 42.441 1.00 23.86 ? 128 PRO B CB 1 ATOM 2479 C CG . PRO B 1 110 ? 14.261 6.748 41.095 1.00 23.35 ? 128 PRO B CG 1 ATOM 2480 C CD . PRO B 1 110 ? 15.631 6.220 41.294 1.00 23.91 ? 128 PRO B CD 1 ATOM 2481 N N . ALA B 1 111 ? 12.767 5.162 44.561 1.00 24.79 ? 129 ALA B N 1 ATOM 2482 C CA . ALA B 1 111 ? 11.939 4.019 44.915 1.00 25.75 ? 129 ALA B CA 1 ATOM 2483 C C . ALA B 1 111 ? 11.119 3.811 43.711 1.00 24.20 ? 129 ALA B C 1 ATOM 2484 O O . ALA B 1 111 ? 10.851 4.741 42.965 1.00 22.52 ? 129 ALA B O 1 ATOM 2485 C CB . ALA B 1 111 ? 11.036 4.293 46.152 1.00 26.13 ? 129 ALA B CB 1 ATOM 2486 N N . GLN B 1 112 ? 10.660 2.570 43.602 1.00 24.32 ? 130 GLN B N 1 ATOM 2487 C CA . GLN B 1 112 ? 9.668 2.195 42.615 1.00 23.89 ? 130 GLN B CA 1 ATOM 2488 C C . GLN B 1 112 ? 8.497 3.129 42.650 1.00 24.30 ? 130 GLN B C 1 ATOM 2489 O O . GLN B 1 112 ? 8.048 3.439 43.664 1.00 23.43 ? 130 GLN B O 1 ATOM 2490 C CB . GLN B 1 112 ? 9.164 0.767 42.883 1.00 24.23 ? 130 GLN B CB 1 ATOM 2491 C CG . GLN B 1 112 ? 8.032 0.299 41.966 1.00 23.68 ? 130 GLN B CG 1 ATOM 2492 C CD . GLN B 1 112 ? 8.422 0.135 40.506 1.00 22.66 ? 130 GLN B CD 1 ATOM 2493 O OE1 . GLN B 1 112 ? 9.567 -0.260 40.117 1.00 21.49 ? 130 GLN B OE1 1 ATOM 2494 N NE2 . GLN B 1 112 ? 7.431 0.395 39.665 1.00 22.18 ? 130 GLN B NE2 1 ATOM 2495 N N . GLY B 1 113 ? 8.012 3.571 41.496 1.00 24.52 ? 131 GLY B N 1 ATOM 2496 C CA . GLY B 1 113 ? 6.787 4.356 41.409 1.00 25.32 ? 131 GLY B CA 1 ATOM 2497 C C . GLY B 1 113 ? 6.955 5.829 41.825 1.00 26.68 ? 131 GLY B C 1 ATOM 2498 O O . GLY B 1 113 ? 5.947 6.516 41.727 1.00 27.63 ? 131 GLY B O 1 ATOM 2499 N N . ARG B 1 114 ? 8.115 6.328 42.327 1.00 28.31 ? 132 ARG B N 1 ATOM 2500 C CA . ARG B 1 114 ? 8.199 7.762 42.693 1.00 30.90 ? 132 ARG B CA 1 ATOM 2501 C C . ARG B 1 114 ? 7.961 8.593 41.460 1.00 31.08 ? 132 ARG B C 1 ATOM 2502 O O . ARG B 1 114 ? 8.488 8.297 40.366 1.00 31.26 ? 132 ARG B O 1 ATOM 2503 C CB . ARG B 1 114 ? 9.500 8.306 43.398 1.00 35.07 ? 132 ARG B CB 1 ATOM 2504 C CG . ARG B 1 114 ? 9.316 9.876 43.742 1.00 37.93 ? 132 ARG B CG 1 ATOM 2505 C CD . ARG B 1 114 ? 9.909 10.655 44.955 1.00 40.31 ? 132 ARG B CD 1 ATOM 2506 N NE . ARG B 1 114 ? 11.051 11.704 44.751 1.00 42.41 ? 132 ARG B NE 1 ATOM 2507 C CZ . ARG B 1 114 ? 12.401 11.439 44.803 1.00 38.94 ? 132 ARG B CZ 1 ATOM 2508 N NH1 . ARG B 1 114 ? 12.824 10.221 44.950 1.00 42.55 ? 132 ARG B NH1 1 ATOM 2509 N NH2 . ARG B 1 114 ? 13.332 12.311 44.566 1.00 35.48 ? 132 ARG B NH2 1 ATOM 2510 N N . ARG B 1 115 ? 7.113 9.581 41.586 1.00 31.47 ? 133 ARG B N 1 ATOM 2511 C CA . ARG B 1 115 ? 6.775 10.432 40.489 1.00 33.87 ? 133 ARG B CA 1 ATOM 2512 C C . ARG B 1 115 ? 7.235 11.846 40.839 1.00 32.94 ? 133 ARG B C 1 ATOM 2513 O O . ARG B 1 115 ? 7.172 12.243 41.963 1.00 33.46 ? 133 ARG B O 1 ATOM 2514 C CB . ARG B 1 115 ? 5.282 10.343 40.150 1.00 38.40 ? 133 ARG B CB 1 ATOM 2515 C CG . ARG B 1 115 ? 5.048 10.131 38.667 1.00 41.44 ? 133 ARG B CG 1 ATOM 2516 C CD . ARG B 1 115 ? 3.598 10.299 38.213 1.00 44.46 ? 133 ARG B CD 1 ATOM 2517 N NE . ARG B 1 115 ? 3.220 9.019 37.574 1.00 47.94 ? 133 ARG B NE 1 ATOM 2518 C CZ . ARG B 1 115 ? 3.550 8.582 36.335 1.00 43.59 ? 133 ARG B CZ 1 ATOM 2519 N NH1 . ARG B 1 115 ? 4.245 9.331 35.457 1.00 39.62 ? 133 ARG B NH1 1 ATOM 2520 N NH2 . ARG B 1 115 ? 3.182 7.371 36.006 1.00 40.99 ? 133 ARG B NH2 1 ATOM 2521 N N . LEU B 1 116 ? 7.823 12.562 39.881 1.00 30.68 ? 134 LEU B N 1 ATOM 2522 C CA . LEU B 1 116 ? 8.321 13.882 40.141 1.00 28.10 ? 134 LEU B CA 1 ATOM 2523 C C . LEU B 1 116 ? 7.313 14.838 39.626 1.00 27.86 ? 134 LEU B C 1 ATOM 2524 O O . LEU B 1 116 ? 6.789 14.667 38.516 1.00 26.92 ? 134 LEU B O 1 ATOM 2525 C CB . LEU B 1 116 ? 9.615 14.075 39.377 1.00 28.43 ? 134 LEU B CB 1 ATOM 2526 C CG . LEU B 1 116 ? 10.805 13.246 39.866 1.00 28.50 ? 134 LEU B CG 1 ATOM 2527 C CD1 . LEU B 1 116 ? 11.959 13.488 38.890 1.00 29.37 ? 134 LEU B CD1 1 ATOM 2528 C CD2 . LEU B 1 116 ? 11.114 13.580 41.310 1.00 29.42 ? 134 LEU B CD2 1 ATOM 2529 N N . GLY B 1 117 ? 7.031 15.875 40.380 1.00 27.87 ? 135 GLY B N 1 ATOM 2530 C CA . GLY B 1 117 ? 6.084 16.851 39.908 1.00 27.04 ? 135 GLY B CA 1 ATOM 2531 C C . GLY B 1 117 ? 6.792 17.923 39.100 1.00 27.04 ? 135 GLY B C 1 ATOM 2532 O O . GLY B 1 117 ? 8.007 18.092 39.200 1.00 24.74 ? 135 GLY B O 1 ATOM 2533 N N . ASN B 1 118 ? 5.943 18.694 38.474 1.00 27.41 ? 136 ASN B N 1 ATOM 2534 C CA . ASN B 1 118 ? 6.218 19.871 37.682 1.00 29.96 ? 136 ASN B CA 1 ATOM 2535 C C . ASN B 1 118 ? 7.095 20.828 38.472 1.00 28.70 ? 136 ASN B C 1 ATOM 2536 O O . ASN B 1 118 ? 6.795 21.077 39.640 1.00 29.13 ? 136 ASN B O 1 ATOM 2537 C CB . ASN B 1 118 ? 4.849 20.495 37.386 1.00 33.18 ? 136 ASN B CB 1 ATOM 2538 C CG . ASN B 1 118 ? 4.848 21.326 36.173 1.00 38.43 ? 136 ASN B CG 1 ATOM 2539 O OD1 . ASN B 1 118 ? 4.565 22.538 36.237 1.00 45.86 ? 136 ASN B OD1 1 ATOM 2540 N ND2 . ASN B 1 118 ? 5.207 20.741 35.051 1.00 37.64 ? 136 ASN B ND2 1 ATOM 2541 N N . GLY B 1 119 ? 8.220 21.287 37.935 1.00 26.52 ? 137 GLY B N 1 ATOM 2542 C CA . GLY B 1 119 ? 9.062 22.206 38.687 1.00 26.38 ? 137 GLY B CA 1 ATOM 2543 C C . GLY B 1 119 ? 10.282 21.639 39.369 1.00 26.99 ? 137 GLY B C 1 ATOM 2544 O O . GLY B 1 119 ? 11.180 22.412 39.639 1.00 28.81 ? 137 GLY B O 1 ATOM 2545 N N . VAL B 1 120 ? 10.388 20.321 39.612 1.00 25.98 ? 138 VAL B N 1 ATOM 2546 C CA . VAL B 1 120 ? 11.566 19.717 40.176 1.00 25.19 ? 138 VAL B CA 1 ATOM 2547 C C . VAL B 1 120 ? 12.788 20.020 39.294 1.00 25.87 ? 138 VAL B C 1 ATOM 2548 O O . VAL B 1 120 ? 12.730 19.911 38.071 1.00 23.55 ? 138 VAL B O 1 ATOM 2549 C CB . VAL B 1 120 ? 11.380 18.211 40.404 1.00 25.20 ? 138 VAL B CB 1 ATOM 2550 C CG1 . VAL B 1 120 ? 12.668 17.542 40.875 1.00 25.32 ? 138 VAL B CG1 1 ATOM 2551 C CG2 . VAL B 1 120 ? 10.288 17.949 41.497 1.00 25.93 ? 138 VAL B CG2 1 ATOM 2552 N N . GLN B 1 121 ? 13.910 20.365 39.951 1.00 26.61 ? 139 GLN B N 1 ATOM 2553 C CA . GLN B 1 121 ? 15.148 20.778 39.320 1.00 27.10 ? 139 GLN B CA 1 ATOM 2554 C C . GLN B 1 121 ? 16.041 19.596 39.279 1.00 24.09 ? 139 GLN B C 1 ATOM 2555 O O . GLN B 1 121 ? 16.294 18.962 40.309 1.00 23.81 ? 139 GLN B O 1 ATOM 2556 C CB . GLN B 1 121 ? 15.850 21.832 40.185 1.00 30.39 ? 139 GLN B CB 1 ATOM 2557 C CG . GLN B 1 121 ? 15.007 23.036 40.451 1.00 35.93 ? 139 GLN B CG 1 ATOM 2558 C CD . GLN B 1 121 ? 14.687 23.740 39.177 1.00 42.34 ? 139 GLN B CD 1 ATOM 2559 O OE1 . GLN B 1 121 ? 13.509 23.881 38.809 1.00 50.71 ? 139 GLN B OE1 1 ATOM 2560 N NE2 . GLN B 1 121 ? 15.749 24.139 38.422 1.00 46.73 ? 139 GLN B NE2 1 ATOM 2561 N N . CYS B 1 122 ? 16.526 19.298 38.102 1.00 21.87 ? 140 CYS B N 1 ATOM 2562 C CA . CYS B 1 122 ? 17.390 18.183 37.806 1.00 21.34 ? 140 CYS B CA 1 ATOM 2563 C C . CYS B 1 122 ? 18.601 18.652 37.006 1.00 20.96 ? 140 CYS B C 1 ATOM 2564 O O . CYS B 1 122 ? 18.631 19.783 36.553 1.00 20.06 ? 140 CYS B O 1 ATOM 2565 C CB . CYS B 1 122 ? 16.638 17.113 36.980 1.00 21.37 ? 140 CYS B CB 1 ATOM 2566 S SG . CYS B 1 122 ? 15.045 16.558 37.648 1.00 23.23 ? 140 CYS B SG 1 ATOM 2567 N N . LEU B 1 123 ? 19.528 17.734 36.771 1.00 20.85 ? 141 LEU B N 1 ATOM 2568 C CA . LEU B 1 123 ? 20.646 17.953 35.930 1.00 21.63 ? 141 LEU B CA 1 ATOM 2569 C C . LEU B 1 123 ? 20.717 16.818 34.874 1.00 19.97 ? 141 LEU B C 1 ATOM 2570 O O . LEU B 1 123 ? 20.749 15.624 35.204 1.00 18.47 ? 141 LEU B O 1 ATOM 2571 C CB . LEU B 1 123 ? 21.840 17.925 36.866 1.00 23.95 ? 141 LEU B CB 1 ATOM 2572 C CG . LEU B 1 123 ? 23.128 18.599 36.402 1.00 26.31 ? 141 LEU B CG 1 ATOM 2573 C CD1 . LEU B 1 123 ? 23.097 20.136 36.234 1.00 27.22 ? 141 LEU B CD1 1 ATOM 2574 C CD2 . LEU B 1 123 ? 24.291 18.225 37.293 1.00 27.58 ? 141 LEU B CD2 1 ATOM 2575 N N . ALA B 1 124 ? 20.665 17.205 33.613 1.00 19.54 ? 142 ALA B N 1 ATOM 2576 C CA . ALA B 1 124 ? 21.025 16.327 32.448 1.00 18.56 ? 142 ALA B CA 1 ATOM 2577 C C . ALA B 1 124 ? 22.527 16.440 32.184 1.00 18.98 ? 142 ALA B C 1 ATOM 2578 O O . ALA B 1 124 ? 23.139 17.407 32.588 1.00 19.41 ? 142 ALA B O 1 ATOM 2579 C CB . ALA B 1 124 ? 20.251 16.789 31.173 1.00 17.83 ? 142 ALA B CB 1 ATOM 2580 N N . MET B 1 125 ? 23.085 15.460 31.449 1.00 18.57 ? 143 MET B N 1 ATOM 2581 C CA . MET B 1 125 ? 24.479 15.439 31.125 1.00 18.70 ? 143 MET B CA 1 ATOM 2582 C C . MET B 1 125 ? 24.753 14.438 29.951 1.00 17.95 ? 143 MET B C 1 ATOM 2583 O O . MET B 1 125 ? 23.932 13.611 29.608 1.00 17.73 ? 143 MET B O 1 ATOM 2584 C CB . MET B 1 125 ? 25.332 15.063 32.323 1.00 19.56 ? 143 MET B CB 1 ATOM 2585 C CG . MET B 1 125 ? 25.031 13.657 32.850 1.00 20.06 ? 143 MET B CG 1 ATOM 2586 S SD . MET B 1 125 ? 25.842 13.211 34.413 1.00 20.49 ? 143 MET B SD 1 ATOM 2587 C CE . MET B 1 125 ? 24.935 14.385 35.442 1.00 20.78 ? 143 MET B CE 1 ATOM 2588 N N . GLY B 1 126 ? 25.870 14.632 29.288 1.00 17.61 ? 144 GLY B N 1 ATOM 2589 C CA . GLY B 1 126 ? 26.372 13.723 28.345 1.00 17.40 ? 144 GLY B CA 1 ATOM 2590 C C . GLY B 1 126 ? 27.435 14.321 27.452 1.00 17.38 ? 144 GLY B C 1 ATOM 2591 O O . GLY B 1 126 ? 27.710 15.522 27.515 1.00 18.36 ? 144 GLY B O 1 ATOM 2592 N N . TRP B 1 127 ? 27.943 13.450 26.578 1.00 17.01 ? 145 TRP B N 1 ATOM 2593 C CA . TRP B 1 127 ? 28.890 13.756 25.535 1.00 17.70 ? 145 TRP B CA 1 ATOM 2594 C C . TRP B 1 127 ? 28.280 13.881 24.109 1.00 17.11 ? 145 TRP B C 1 ATOM 2595 O O . TRP B 1 127 ? 28.996 13.797 23.129 1.00 16.87 ? 145 TRP B O 1 ATOM 2596 C CB . TRP B 1 127 ? 29.954 12.674 25.516 1.00 18.05 ? 145 TRP B CB 1 ATOM 2597 C CG . TRP B 1 127 ? 30.877 12.678 26.666 1.00 19.24 ? 145 TRP B CG 1 ATOM 2598 C CD1 . TRP B 1 127 ? 31.925 13.528 26.830 1.00 19.84 ? 145 TRP B CD1 1 ATOM 2599 C CD2 . TRP B 1 127 ? 30.927 11.758 27.757 1.00 19.71 ? 145 TRP B CD2 1 ATOM 2600 N NE1 . TRP B 1 127 ? 32.629 13.164 27.933 1.00 20.35 ? 145 TRP B NE1 1 ATOM 2601 C CE2 . TRP B 1 127 ? 32.052 12.096 28.520 1.00 20.12 ? 145 TRP B CE2 1 ATOM 2602 C CE3 . TRP B 1 127 ? 30.077 10.675 28.219 1.00 19.55 ? 145 TRP B CE3 1 ATOM 2603 C CZ2 . TRP B 1 127 ? 32.353 11.468 29.735 1.00 20.47 ? 145 TRP B CZ2 1 ATOM 2604 C CZ3 . TRP B 1 127 ? 30.434 10.010 29.326 1.00 19.20 ? 145 TRP B CZ3 1 ATOM 2605 C CH2 . TRP B 1 127 ? 31.583 10.405 30.091 1.00 19.98 ? 145 TRP B CH2 1 ATOM 2606 N N . GLY B 1 128 ? 27.011 14.180 24.005 1.00 16.06 ? 146 GLY B N 1 ATOM 2607 C CA . GLY B 1 128 ? 26.455 14.473 22.753 1.00 15.97 ? 146 GLY B CA 1 ATOM 2608 C C . GLY B 1 128 ? 26.769 15.772 22.031 1.00 16.24 ? 146 GLY B C 1 ATOM 2609 O O . GLY B 1 128 ? 27.624 16.537 22.443 1.00 16.05 ? 146 GLY B O 1 ATOM 2610 N N . LEU B 1 129 ? 26.093 15.932 20.898 1.00 15.85 ? 147 LEU B N 1 ATOM 2611 C CA . LEU B 1 129 ? 26.237 17.054 20.100 1.00 16.33 ? 147 LEU B CA 1 ATOM 2612 C C . LEU B 1 129 ? 25.809 18.321 20.831 1.00 17.15 ? 147 LEU B C 1 ATOM 2613 O O . LEU B 1 129 ? 24.916 18.323 21.753 1.00 18.06 ? 147 LEU B O 1 ATOM 2614 C CB . LEU B 1 129 ? 25.457 16.929 18.808 1.00 16.22 ? 147 LEU B CB 1 ATOM 2615 C CG . LEU B 1 129 ? 25.748 15.818 17.799 1.00 16.29 ? 147 LEU B CG 1 ATOM 2616 C CD1 . LEU B 1 129 ? 24.631 15.852 16.766 1.00 15.75 ? 147 LEU B CD1 1 ATOM 2617 C CD2 . LEU B 1 129 ? 27.136 15.942 17.148 1.00 17.10 ? 147 LEU B CD2 1 ATOM 2618 N N . LEU B 1 130 ? 26.466 19.402 20.451 1.00 17.84 ? 148 LEU B N 1 ATOM 2619 C CA . LEU B 1 130 ? 26.238 20.680 21.064 1.00 18.64 ? 148 LEU B CA 1 ATOM 2620 C C . LEU B 1 130 ? 25.244 21.511 20.280 1.00 18.98 ? 148 LEU B C 1 ATOM 2621 O O . LEU B 1 130 ? 25.018 22.623 20.621 1.00 20.39 ? 148 LEU B O 1 ATOM 2622 C CB . LEU B 1 130 ? 27.573 21.426 21.220 1.00 19.13 ? 148 LEU B CB 1 ATOM 2623 C CG . LEU B 1 130 ? 28.759 20.675 21.862 1.00 19.36 ? 148 LEU B CG 1 ATOM 2624 C CD1 . LEU B 1 130 ? 30.033 21.569 21.955 1.00 20.08 ? 148 LEU B CD1 1 ATOM 2625 C CD2 . LEU B 1 130 ? 28.344 20.275 23.279 1.00 19.35 ? 148 LEU B CD2 1 ATOM 2626 N N . GLY B 1 131 ? 24.640 20.991 19.209 1.00 18.61 ? 149 GLY B N 1 ATOM 2627 C CA . GLY B 1 131 ? 23.667 21.708 18.567 1.00 18.25 ? 149 GLY B CA 1 ATOM 2628 C C . GLY B 1 131 ? 24.227 22.171 17.191 1.00 18.57 ? 149 GLY B C 1 ATOM 2629 O O . GLY B 1 131 ? 25.409 22.127 16.880 1.00 18.63 ? 149 GLY B O 1 ATOM 2630 N N . ARG B 1 132 ? 23.259 22.743 16.221 1.00 22.08 ? 151 ARG B N 1 ATOM 2631 C CA . ARG B 1 132 ? 23.562 23.213 14.873 1.00 24.09 ? 151 ARG B CA 1 ATOM 2632 C C . ARG B 1 132 ? 24.880 23.946 14.789 1.00 23.87 ? 151 ARG B C 1 ATOM 2633 O O . ARG B 1 132 ? 25.029 24.966 15.389 1.00 24.85 ? 151 ARG B O 1 ATOM 2634 C CB . ARG B 1 132 ? 22.479 24.204 14.455 1.00 26.96 ? 151 ARG B CB 1 ATOM 2635 C CG . ARG B 1 132 ? 22.680 24.827 13.045 1.00 29.36 ? 151 ARG B CG 1 ATOM 2636 C CD . ARG B 1 132 ? 22.023 26.251 12.797 1.00 32.46 ? 151 ARG B CD 1 ATOM 2637 N NE . ARG B 1 132 ? 21.426 25.904 11.639 1.00 33.38 ? 151 ARG B NE 1 ATOM 2638 C CZ . ARG B 1 132 ? 21.794 25.784 10.371 1.00 32.13 ? 151 ARG B CZ 1 ATOM 2639 N NH1 . ARG B 1 132 ? 21.302 24.678 9.828 1.00 27.49 ? 151 ARG B NH1 1 ATOM 2640 N NH2 . ARG B 1 132 ? 22.204 26.769 9.608 1.00 33.69 ? 151 ARG B NH2 1 ATOM 2641 N N . ASN B 1 133 ? 25.809 23.446 13.999 1.00 22.65 ? 152 ASN B N 1 ATOM 2642 C CA . ASN B 1 133 ? 27.093 24.091 13.767 1.00 24.24 ? 152 ASN B CA 1 ATOM 2643 C C . ASN B 1 133 ? 27.916 24.455 14.990 1.00 24.86 ? 152 ASN B C 1 ATOM 2644 O O . ASN B 1 133 ? 28.824 25.275 14.883 1.00 26.05 ? 152 ASN B O 1 ATOM 2645 C CB . ASN B 1 133 ? 27.017 25.324 12.817 1.00 24.27 ? 152 ASN B CB 1 ATOM 2646 C CG . ASN B 1 133 ? 26.441 24.973 11.453 1.00 24.12 ? 152 ASN B CG 1 ATOM 2647 O OD1 . ASN B 1 133 ? 26.745 24.010 10.892 1.00 21.14 ? 152 ASN B OD1 1 ATOM 2648 N ND2 . ASN B 1 133 ? 25.534 25.779 10.986 1.00 25.49 ? 152 ASN B ND2 1 ATOM 2649 N N . ARG B 1 134 ? 27.696 23.751 16.089 1.00 24.47 ? 153 ARG B N 1 ATOM 2650 C CA . ARG B 1 134 ? 28.441 23.988 17.363 1.00 25.24 ? 153 ARG B CA 1 ATOM 2651 C C . ARG B 1 134 ? 29.306 22.808 17.759 1.00 23.36 ? 153 ARG B C 1 ATOM 2652 O O . ARG B 1 134 ? 29.958 22.845 18.778 1.00 23.27 ? 153 ARG B O 1 ATOM 2653 C CB . ARG B 1 134 ? 27.485 24.290 18.477 1.00 25.87 ? 153 ARG B CB 1 ATOM 2654 C CG . ARG B 1 134 ? 27.213 25.751 18.581 1.00 29.40 ? 153 ARG B CG 1 ATOM 2655 C CD . ARG B 1 134 ? 25.848 26.094 18.175 1.00 32.45 ? 153 ARG B CD 1 ATOM 2656 N NE . ARG B 1 134 ? 24.973 26.696 19.131 1.00 35.10 ? 153 ARG B NE 1 ATOM 2657 C CZ . ARG B 1 134 ? 24.997 27.975 19.505 1.00 42.89 ? 153 ARG B CZ 1 ATOM 2658 N NH1 . ARG B 1 134 ? 26.003 28.830 19.271 1.00 42.19 ? 153 ARG B NH1 1 ATOM 2659 N NH2 . ARG B 1 134 ? 24.039 28.372 20.343 1.00 51.54 ? 153 ARG B NH2 1 ATOM 2660 N N . GLY B 1 135 ? 29.373 21.825 16.901 1.00 21.70 ? 154 GLY B N 1 ATOM 2661 C CA . GLY B 1 135 ? 30.255 20.660 17.058 1.00 21.79 ? 154 GLY B CA 1 ATOM 2662 C C . GLY B 1 135 ? 29.790 19.686 18.125 1.00 21.05 ? 154 GLY B C 1 ATOM 2663 O O . GLY B 1 135 ? 28.607 19.575 18.432 1.00 19.64 ? 154 GLY B O 1 ATOM 2664 N N . ILE B 1 136 ? 30.765 19.011 18.718 1.00 21.86 ? 155 ILE B N 1 ATOM 2665 C CA . ILE B 1 136 ? 30.529 17.937 19.669 1.00 22.19 ? 155 ILE B CA 1 ATOM 2666 C C . ILE B 1 136 ? 31.367 18.145 20.931 1.00 22.73 ? 155 ILE B C 1 ATOM 2667 O O . ILE B 1 136 ? 32.476 18.667 20.846 1.00 22.71 ? 155 ILE B O 1 ATOM 2668 C CB . ILE B 1 136 ? 30.787 16.570 19.026 1.00 21.56 ? 155 ILE B CB 1 ATOM 2669 C CG1 . ILE B 1 136 ? 30.314 15.439 19.951 1.00 22.46 ? 155 ILE B CG1 1 ATOM 2670 C CG2 . ILE B 1 136 ? 32.306 16.415 18.740 1.00 22.95 ? 155 ILE B CG2 1 ATOM 2671 C CD1 . ILE B 1 136 ? 30.170 14.118 19.242 1.00 21.59 ? 155 ILE B CD1 1 ATOM 2672 N N . ALA B 1 137 ? 30.867 17.670 22.081 1.00 22.29 ? 156 ALA B N 1 ATOM 2673 C CA . ALA B 1 137 ? 31.635 17.737 23.339 1.00 23.22 ? 156 ALA B CA 1 ATOM 2674 C C . ALA B 1 137 ? 32.876 16.876 23.231 1.00 23.71 ? 156 ALA B C 1 ATOM 2675 O O . ALA B 1 137 ? 32.822 15.795 22.610 1.00 23.85 ? 156 ALA B O 1 ATOM 2676 C CB . ALA B 1 137 ? 30.785 17.194 24.521 1.00 24.03 ? 156 ALA B CB 1 ATOM 2677 N N . SER B 1 138 ? 33.962 17.340 23.830 1.00 25.00 ? 157 SER B N 1 ATOM 2678 C CA . SER B 1 138 ? 35.131 16.548 24.275 1.00 26.36 ? 157 SER B CA 1 ATOM 2679 C C . SER B 1 138 ? 34.944 16.162 25.699 1.00 25.82 ? 157 SER B C 1 ATOM 2680 O O . SER B 1 138 ? 35.058 15.004 26.094 1.00 26.57 ? 157 SER B O 1 ATOM 2681 C CB . SER B 1 138 ? 36.390 17.432 24.234 1.00 29.65 ? 157 SER B CB 1 ATOM 2682 O OG . SER B 1 138 ? 36.997 17.064 23.031 1.00 34.68 ? 157 SER B OG 1 ATOM 2683 N N . VAL B 1 139 ? 34.605 17.176 26.476 1.00 24.87 ? 158 VAL B N 1 ATOM 2684 C CA . VAL B 1 139 ? 34.447 17.130 27.924 1.00 25.30 ? 158 VAL B CA 1 ATOM 2685 C C . VAL B 1 139 ? 32.974 16.928 28.227 1.00 22.94 ? 158 VAL B C 1 ATOM 2686 O O . VAL B 1 139 ? 32.118 17.486 27.562 1.00 22.29 ? 158 VAL B O 1 ATOM 2687 C CB . VAL B 1 139 ? 34.956 18.460 28.487 1.00 26.46 ? 158 VAL B CB 1 ATOM 2688 C CG1 . VAL B 1 139 ? 34.534 18.628 29.869 1.00 27.38 ? 158 VAL B CG1 1 ATOM 2689 C CG2 . VAL B 1 139 ? 36.501 18.466 28.366 1.00 28.11 ? 158 VAL B CG2 1 ATOM 2690 N N . LEU B 1 140 ? 32.686 16.029 29.120 1.00 21.93 ? 159 LEU B N 1 ATOM 2691 C CA . LEU B 1 140 ? 31.299 15.826 29.546 1.00 21.27 ? 159 LEU B CA 1 ATOM 2692 C C . LEU B 1 140 ? 30.604 17.174 29.833 1.00 20.93 ? 159 LEU B C 1 ATOM 2693 O O . LEU B 1 140 ? 31.188 18.019 30.520 1.00 20.86 ? 159 LEU B O 1 ATOM 2694 C CB . LEU B 1 140 ? 31.240 15.004 30.852 1.00 21.18 ? 159 LEU B CB 1 ATOM 2695 C CG . LEU B 1 140 ? 29.907 14.676 31.494 1.00 20.60 ? 159 LEU B CG 1 ATOM 2696 C CD1 . LEU B 1 140 ? 29.238 13.672 30.619 1.00 20.03 ? 159 LEU B CD1 1 ATOM 2697 C CD2 . LEU B 1 140 ? 30.211 14.108 32.875 1.00 20.99 ? 159 LEU B CD2 1 ATOM 2698 N N . GLN B 1 141 ? 29.389 17.319 29.303 1.00 19.83 ? 160 GLN B N 1 ATOM 2699 C CA . GLN B 1 141 ? 28.566 18.500 29.503 1.00 19.21 ? 160 GLN B CA 1 ATOM 2700 C C . GLN B 1 141 ? 27.458 18.175 30.486 1.00 18.87 ? 160 GLN B C 1 ATOM 2701 O O . GLN B 1 141 ? 27.069 17.002 30.619 1.00 18.51 ? 160 GLN B O 1 ATOM 2702 C CB . GLN B 1 141 ? 27.979 18.980 28.239 1.00 18.73 ? 160 GLN B CB 1 ATOM 2703 C CG . GLN B 1 141 ? 28.959 19.234 27.074 1.00 18.91 ? 160 GLN B CG 1 ATOM 2704 C CD . GLN B 1 141 ? 29.722 20.498 27.229 1.00 19.31 ? 160 GLN B CD 1 ATOM 2705 O OE1 . GLN B 1 141 ? 30.973 20.459 27.319 1.00 21.48 ? 160 GLN B OE1 1 ATOM 2706 N NE2 . GLN B 1 141 ? 29.035 21.579 27.328 1.00 18.07 ? 160 GLN B NE2 1 ATOM 2707 N N . GLU B 1 142 ? 27.034 19.183 31.270 1.00 19.15 ? 161 GLU B N 1 ATOM 2708 C CA . GLU B 1 142 ? 25.880 19.069 32.130 1.00 18.98 ? 161 GLU B CA 1 ATOM 2709 C C . GLU B 1 142 ? 24.978 20.254 31.827 1.00 19.72 ? 161 GLU B C 1 ATOM 2710 O O . GLU B 1 142 ? 25.428 21.202 31.178 1.00 19.59 ? 161 GLU B O 1 ATOM 2711 C CB . GLU B 1 142 ? 26.293 18.959 33.610 1.00 19.56 ? 161 GLU B CB 1 ATOM 2712 C CG . GLU B 1 142 ? 27.012 20.184 34.130 1.00 20.62 ? 161 GLU B CG 1 ATOM 2713 C CD . GLU B 1 142 ? 27.398 20.105 35.542 1.00 20.96 ? 161 GLU B CD 1 ATOM 2714 O OE1 . GLU B 1 142 ? 28.262 19.309 35.860 1.00 21.55 ? 161 GLU B OE1 1 ATOM 2715 O OE2 . GLU B 1 142 ? 26.832 20.865 36.296 1.00 20.89 ? 161 GLU B OE2 1 ATOM 2716 N N . LEU B 1 143 ? 23.718 20.215 32.311 1.00 20.12 ? 162 LEU B N 1 ATOM 2717 C CA . LEU B 1 143 ? 22.672 21.180 31.968 1.00 20.60 ? 162 LEU B CA 1 ATOM 2718 C C . LEU B 1 143 ? 21.537 21.163 33.002 1.00 21.43 ? 162 LEU B C 1 ATOM 2719 O O . LEU B 1 143 ? 20.903 20.096 33.246 1.00 21.79 ? 162 LEU B O 1 ATOM 2720 C CB . LEU B 1 143 ? 22.096 20.853 30.584 1.00 20.78 ? 162 LEU B CB 1 ATOM 2721 C CG . LEU B 1 143 ? 20.862 21.655 30.166 1.00 20.82 ? 162 LEU B CG 1 ATOM 2722 C CD1 . LEU B 1 143 ? 21.322 23.026 29.820 1.00 21.98 ? 162 LEU B CD1 1 ATOM 2723 C CD2 . LEU B 1 143 ? 20.137 21.004 29.019 1.00 20.63 ? 162 LEU B CD2 1 ATOM 2724 N N . ASN B 1 144 ? 21.277 22.302 33.651 1.00 22.31 ? 163 ASN B N 1 ATOM 2725 C CA . ASN B 1 144 ? 20.128 22.426 34.554 1.00 22.54 ? 163 ASN B CA 1 ATOM 2726 C C . ASN B 1 144 ? 18.835 22.384 33.730 1.00 22.28 ? 163 ASN B C 1 ATOM 2727 O O . ASN B 1 144 ? 18.700 23.113 32.723 1.00 21.49 ? 163 ASN B O 1 ATOM 2728 C CB . ASN B 1 144 ? 20.186 23.757 35.301 1.00 24.45 ? 163 ASN B CB 1 ATOM 2729 C CG . ASN B 1 144 ? 21.252 23.753 36.385 1.00 25.32 ? 163 ASN B CG 1 ATOM 2730 O OD1 . ASN B 1 144 ? 22.444 23.827 36.085 1.00 24.64 ? 163 ASN B OD1 1 ATOM 2731 N ND2 . ASN B 1 144 ? 20.815 23.657 37.666 1.00 26.44 ? 163 ASN B ND2 1 ATOM 2732 N N . VAL B 1 145 ? 17.921 21.450 34.084 1.00 21.95 ? 164 VAL B N 1 ATOM 2733 C CA . VAL B 1 145 ? 16.576 21.388 33.455 1.00 21.21 ? 164 VAL B CA 1 ATOM 2734 C C . VAL B 1 145 ? 15.546 21.240 34.560 1.00 22.69 ? 164 VAL B C 1 ATOM 2735 O O . VAL B 1 145 ? 15.907 20.970 35.741 1.00 21.85 ? 164 VAL B O 1 ATOM 2736 C CB . VAL B 1 145 ? 16.496 20.189 32.498 1.00 20.35 ? 164 VAL B CB 1 ATOM 2737 C CG1 . VAL B 1 145 ? 17.669 20.108 31.563 1.00 20.01 ? 164 VAL B CG1 1 ATOM 2738 C CG2 . VAL B 1 145 ? 16.464 18.868 33.267 1.00 21.06 ? 164 VAL B CG2 1 ATOM 2739 N N . THR B 1 146 ? 14.284 21.412 34.194 1.00 22.95 ? 165 THR B N 1 ATOM 2740 C CA . THR B 1 146 ? 13.180 21.403 35.112 1.00 24.28 ? 165 THR B CA 1 ATOM 2741 C C . THR B 1 146 ? 12.165 20.342 34.657 1.00 23.37 ? 165 THR B C 1 ATOM 2742 O O . THR B 1 146 ? 11.797 20.289 33.457 1.00 22.93 ? 165 THR B O 1 ATOM 2743 C CB . THR B 1 146 ? 12.498 22.781 35.049 1.00 26.04 ? 165 THR B CB 1 ATOM 2744 O OG1 . THR B 1 146 ? 13.387 23.743 35.559 1.00 28.48 ? 165 THR B OG1 1 ATOM 2745 C CG2 . THR B 1 146 ? 11.323 22.921 35.935 1.00 27.76 ? 165 THR B CG2 1 ATOM 2746 N N . VAL B 1 147 ? 11.680 19.524 35.587 1.00 22.48 ? 166 VAL B N 1 ATOM 2747 C CA . VAL B 1 147 ? 10.631 18.557 35.291 1.00 22.20 ? 166 VAL B CA 1 ATOM 2748 C C . VAL B 1 147 ? 9.349 19.280 34.812 1.00 22.10 ? 166 VAL B C 1 ATOM 2749 O O . VAL B 1 147 ? 8.947 20.289 35.364 1.00 21.59 ? 166 VAL B O 1 ATOM 2750 C CB . VAL B 1 147 ? 10.335 17.619 36.495 1.00 22.49 ? 166 VAL B CB 1 ATOM 2751 C CG1 . VAL B 1 147 ? 9.147 16.726 36.101 1.00 22.82 ? 166 VAL B CG1 1 ATOM 2752 C CG2 . VAL B 1 147 ? 11.540 16.716 36.701 1.00 22.50 ? 166 VAL B CG2 1 ATOM 2753 N N . VAL B 1 148 ? 8.717 18.775 33.772 1.00 21.14 ? 167 VAL B N 1 ATOM 2754 C CA . VAL B 1 148 ? 7.418 19.280 33.344 1.00 21.21 ? 167 VAL B CA 1 ATOM 2755 C C . VAL B 1 148 ? 6.502 18.043 33.038 1.00 22.06 ? 167 VAL B C 1 ATOM 2756 O O . VAL B 1 148 ? 6.977 16.995 32.541 1.00 20.58 ? 167 VAL B O 1 ATOM 2757 C CB . VAL B 1 148 ? 7.492 20.134 32.017 1.00 21.02 ? 167 VAL B CB 1 ATOM 2758 C CG1 . VAL B 1 148 ? 8.229 21.445 32.209 1.00 21.45 ? 167 VAL B CG1 1 ATOM 2759 C CG2 . VAL B 1 148 ? 8.145 19.397 30.898 1.00 20.08 ? 167 VAL B CG2 1 ATOM 2760 N N . THR B 1 149 ? 5.192 18.209 33.212 1.00 23.81 ? 168 THR B N 1 ATOM 2761 C CA . THR B 1 149 ? 4.172 17.207 32.868 1.00 25.53 ? 168 THR B CA 1 ATOM 2762 C C . THR B 1 149 ? 3.363 17.620 31.669 1.00 27.19 ? 168 THR B C 1 ATOM 2763 O O . THR B 1 149 ? 2.799 16.793 30.983 1.00 29.53 ? 168 THR B O 1 ATOM 2764 C CB . THR B 1 149 ? 3.220 17.035 34.048 1.00 26.82 ? 168 THR B CB 1 ATOM 2765 O OG1 . THR B 1 149 ? 2.809 18.320 34.515 1.00 29.04 ? 168 THR B OG1 1 ATOM 2766 C CG2 . THR B 1 149 ? 3.894 16.368 35.155 1.00 26.50 ? 168 THR B CG2 1 ATOM 2767 N N . SER B 1 150 ? 3.369 18.891 31.328 1.00 28.80 ? 169 SER B N 1 ATOM 2768 C CA . SER B 1 150 ? 2.651 19.311 30.156 1.00 30.90 ? 169 SER B CA 1 ATOM 2769 C C . SER B 1 150 ? 3.416 18.844 28.888 1.00 29.55 ? 169 SER B C 1 ATOM 2770 O O . SER B 1 150 ? 4.638 18.835 28.849 1.00 27.26 ? 169 SER B O 1 ATOM 2771 C CB . SER B 1 150 ? 2.332 20.827 30.260 1.00 33.55 ? 169 SER B CB 1 ATOM 2772 O OG . SER B 1 150 ? 2.090 21.318 28.925 1.00 39.13 ? 169 SER B OG 1 ATOM 2773 N N . LEU B 1 151 ? 2.686 18.317 27.895 1.00 28.94 ? 170 LEU B N 1 ATOM 2774 C CA . LEU B 1 151 ? 3.252 17.852 26.670 1.00 27.70 ? 170 LEU B CA 1 ATOM 2775 C C . LEU B 1 151 ? 4.104 16.543 26.808 1.00 26.51 ? 170 LEU B C 1 ATOM 2776 O O . LEU B 1 151 ? 5.128 16.305 26.146 1.00 22.66 ? 170 LEU B O 1 ATOM 2777 C CB . LEU B 1 151 ? 4.055 18.971 25.971 1.00 28.35 ? 170 LEU B CB 1 ATOM 2778 C CG . LEU B 1 151 ? 3.393 20.302 25.645 1.00 30.27 ? 170 LEU B CG 1 ATOM 2779 C CD1 . LEU B 1 151 ? 4.264 21.074 24.629 1.00 30.43 ? 170 LEU B CD1 1 ATOM 2780 C CD2 . LEU B 1 151 ? 1.975 20.146 25.084 1.00 31.48 ? 170 LEU B CD2 1 ATOM 2781 N N . CYS B 1 152 ? 3.869 15.613 27.952 1.00 23.43 ? 172 CYS B N 1 ATOM 2782 C CA . CYS B 1 152 ? 4.695 14.539 28.395 1.00 23.45 ? 172 CYS B CA 1 ATOM 2783 C C . CYS B 1 152 ? 3.750 13.450 28.584 1.00 23.56 ? 172 CYS B C 1 ATOM 2784 O O . CYS B 1 152 ? 2.836 13.594 29.309 1.00 24.68 ? 172 CYS B O 1 ATOM 2785 C CB . CYS B 1 152 ? 5.403 14.816 29.679 1.00 23.41 ? 172 CYS B CB 1 ATOM 2786 S SG . CYS B 1 152 ? 6.698 13.589 29.986 1.00 23.56 ? 172 CYS B SG 1 ATOM 2787 N N . ARG B 1 153 ? 4.114 12.167 28.062 1.00 21.54 ? 181 ARG B N 1 ATOM 2788 C CA . ARG B 1 153 ? 3.243 11.102 28.548 1.00 22.40 ? 181 ARG B CA 1 ATOM 2789 C C . ARG B 1 153 ? 3.591 10.703 29.988 1.00 22.70 ? 181 ARG B C 1 ATOM 2790 O O . ARG B 1 153 ? 4.698 10.930 30.449 1.00 21.35 ? 181 ARG B O 1 ATOM 2791 C CB . ARG B 1 153 ? 3.455 9.959 27.586 1.00 22.36 ? 181 ARG B CB 1 ATOM 2792 C CG . ARG B 1 153 ? 3.183 10.324 26.110 1.00 22.53 ? 181 ARG B CG 1 ATOM 2793 C CD . ARG B 1 153 ? 3.543 9.143 25.234 1.00 22.38 ? 181 ARG B CD 1 ATOM 2794 N NE . ARG B 1 153 ? 3.407 9.488 23.840 1.00 23.33 ? 181 ARG B NE 1 ATOM 2795 C CZ . ARG B 1 153 ? 4.177 10.338 23.130 1.00 23.52 ? 181 ARG B CZ 1 ATOM 2796 N NH1 . ARG B 1 153 ? 5.236 11.004 23.624 1.00 21.98 ? 181 ARG B NH1 1 ATOM 2797 N NH2 . ARG B 1 153 ? 3.885 10.508 21.853 1.00 23.82 ? 181 ARG B NH2 1 ATOM 2798 N N . ARG B 1 154 ? 2.674 10.010 30.657 1.00 23.62 ? 182 ARG B N 1 ATOM 2799 C CA . ARG B 1 154 ? 2.956 9.390 31.970 1.00 24.92 ? 182 ARG B CA 1 ATOM 2800 C C . ARG B 1 154 ? 4.006 8.310 31.917 1.00 22.56 ? 182 ARG B C 1 ATOM 2801 O O . ARG B 1 154 ? 4.610 8.033 32.914 1.00 21.59 ? 182 ARG B O 1 ATOM 2802 C CB . ARG B 1 154 ? 1.643 8.882 32.607 1.00 29.58 ? 182 ARG B CB 1 ATOM 2803 C CG . ARG B 1 154 ? 0.977 10.206 33.068 1.00 34.64 ? 182 ARG B CG 1 ATOM 2804 C CD . ARG B 1 154 ? -0.371 10.116 33.697 1.00 41.40 ? 182 ARG B CD 1 ATOM 2805 N NE . ARG B 1 154 ? -0.355 9.371 34.956 1.00 47.63 ? 182 ARG B NE 1 ATOM 2806 C CZ . ARG B 1 154 ? 0.151 9.775 36.136 1.00 52.95 ? 182 ARG B CZ 1 ATOM 2807 N NH1 . ARG B 1 154 ? 0.775 10.951 36.304 1.00 55.99 ? 182 ARG B NH1 1 ATOM 2808 N NH2 . ARG B 1 154 ? 0.044 8.948 37.176 1.00 53.55 ? 182 ARG B NH2 1 ATOM 2809 N N . SER B 1 155 ? 4.294 7.787 30.720 1.00 20.12 ? 183 SER B N 1 ATOM 2810 C CA . SER B 1 155 ? 5.292 6.801 30.517 1.00 19.50 ? 183 SER B CA 1 ATOM 2811 C C . SER B 1 155 ? 6.692 7.426 30.317 1.00 17.98 ? 183 SER B C 1 ATOM 2812 O O . SER B 1 155 ? 7.615 6.738 29.934 1.00 17.23 ? 183 SER B O 1 ATOM 2813 C CB . SER B 1 155 ? 4.949 5.943 29.325 1.00 19.79 ? 183 SER B CB 1 ATOM 2814 O OG . SER B 1 155 ? 4.629 6.748 28.174 1.00 20.56 ? 183 SER B OG 1 ATOM 2815 N N . ASN B 1 156 ? 6.827 8.715 30.544 1.00 17.60 ? 184 ASN B N 1 ATOM 2816 C CA . ASN B 1 156 ? 8.131 9.376 30.540 1.00 17.56 ? 184 ASN B CA 1 ATOM 2817 C C . ASN B 1 156 ? 8.281 10.275 31.736 1.00 17.89 ? 184 ASN B C 1 ATOM 2818 O O . ASN B 1 156 ? 7.294 10.716 32.312 1.00 18.47 ? 184 ASN B O 1 ATOM 2819 C CB . ASN B 1 156 ? 8.351 10.241 29.288 1.00 17.01 ? 184 ASN B CB 1 ATOM 2820 C CG . ASN B 1 156 ? 8.582 9.430 28.016 1.00 16.19 ? 184 ASN B CG 1 ATOM 2821 O OD1 . ASN B 1 156 ? 7.776 9.449 27.050 1.00 16.40 ? 184 ASN B OD1 1 ATOM 2822 N ND2 . ASN B 1 156 ? 9.642 8.705 28.003 1.00 15.77 ? 184 ASN B ND2 1 ATOM 2823 N N . VAL B 1 157 ? 9.522 10.587 32.050 1.00 18.06 ? 185 VAL B N 1 ATOM 2824 C CA . VAL B 1 157 ? 9.826 11.830 32.738 1.00 18.64 ? 185 VAL B CA 1 ATOM 2825 C C . VAL B 1 157 ? 10.288 12.808 31.697 1.00 17.82 ? 185 VAL B C 1 ATOM 2826 O O . VAL B 1 157 ? 11.204 12.508 30.954 1.00 16.80 ? 185 VAL B O 1 ATOM 2827 C CB . VAL B 1 157 ? 11.018 11.765 33.787 1.00 19.28 ? 185 VAL B CB 1 ATOM 2828 C CG1 . VAL B 1 157 ? 11.102 13.114 34.520 1.00 19.73 ? 185 VAL B CG1 1 ATOM 2829 C CG2 . VAL B 1 157 ? 10.800 10.707 34.841 1.00 20.82 ? 185 VAL B CG2 1 ATOM 2830 N N . CYS B 1 158 ? 9.666 13.984 31.674 1.00 18.24 ? 186 CYS B N 1 ATOM 2831 C CA . CYS B 1 158 ? 10.010 15.021 30.762 1.00 18.72 ? 186 CYS B CA 1 ATOM 2832 C C . CYS B 1 158 ? 10.671 16.244 31.432 1.00 18.59 ? 186 CYS B C 1 ATOM 2833 O O . CYS B 1 158 ? 10.297 16.625 32.544 1.00 18.31 ? 186 CYS B O 1 ATOM 2834 C CB . CYS B 1 158 ? 8.845 15.504 29.924 1.00 19.41 ? 186 CYS B CB 1 ATOM 2835 S SG . CYS B 1 158 ? 8.253 14.213 28.825 1.00 20.64 ? 186 CYS B SG 1 ATOM 2836 N N . THR B 1 159 ? 11.569 16.913 30.666 1.00 17.67 ? 187 THR B N 1 ATOM 2837 C CA . THR B 1 159 ? 12.221 18.092 31.167 1.00 18.28 ? 187 THR B CA 1 ATOM 2838 C C . THR B 1 159 ? 12.237 19.230 30.204 1.00 19.64 ? 187 THR B C 1 ATOM 2839 O O . THR B 1 159 ? 12.149 19.029 28.979 1.00 19.79 ? 187 THR B O 1 ATOM 2840 C CB . THR B 1 159 ? 13.632 17.840 31.649 1.00 18.02 ? 187 THR B CB 1 ATOM 2841 O OG1 . THR B 1 159 ? 14.503 17.497 30.556 1.00 18.75 ? 187 THR B OG1 1 ATOM 2842 C CG2 . THR B 1 159 ? 13.661 16.787 32.683 1.00 18.45 ? 187 THR B CG2 1 ATOM 2843 N N . LEU B 1 160 ? 12.443 20.438 30.734 1.00 20.54 ? 188 LEU B N 1 ATOM 2844 C CA . LEU B 1 160 ? 12.453 21.582 29.811 1.00 23.17 ? 188 LEU B CA 1 ATOM 2845 C C . LEU B 1 160 ? 13.244 22.745 30.379 1.00 23.62 ? 188 LEU B C 1 ATOM 2846 O O . LEU B 1 160 ? 13.240 22.893 31.558 1.00 26.26 ? 188 LEU B O 1 ATOM 2847 C CB . LEU B 1 160 ? 11.009 22.044 29.517 1.00 23.79 ? 188 LEU B CB 1 ATOM 2848 C CG . LEU B 1 160 ? 10.778 23.218 28.581 1.00 23.83 ? 188 LEU B CG 1 ATOM 2849 C CD1 . LEU B 1 160 ? 10.910 22.706 27.146 1.00 22.64 ? 188 LEU B CD1 1 ATOM 2850 C CD2 . LEU B 1 160 ? 9.430 23.820 28.852 1.00 25.24 ? 188 LEU B CD2 1 ATOM 2851 N N . VAL B 1 161 ? 13.953 23.508 29.554 1.00 24.50 ? 189 VAL B N 1 ATOM 2852 C CA . VAL B 1 161 ? 14.717 24.680 29.991 1.00 24.60 ? 189 VAL B CA 1 ATOM 2853 C C . VAL B 1 161 ? 13.923 25.876 29.459 1.00 27.86 ? 189 VAL B C 1 ATOM 2854 O O . VAL B 1 161 ? 13.854 26.064 28.201 1.00 31.66 ? 189 VAL B O 1 ATOM 2855 C CB . VAL B 1 161 ? 16.148 24.631 29.385 1.00 24.12 ? 189 VAL B CB 1 ATOM 2856 C CG1 . VAL B 1 161 ? 16.919 25.919 29.747 1.00 24.13 ? 189 VAL B CG1 1 ATOM 2857 C CG2 . VAL B 1 161 ? 16.931 23.398 29.767 1.00 22.87 ? 189 VAL B CG2 1 ATOM 2858 N N . ARG B 1 162 ? 13.288 26.681 30.306 1.00 28.15 ? 190 ARG B N 1 ATOM 2859 C CA . ARG B 1 162 ? 12.440 27.744 29.818 1.00 29.44 ? 190 ARG B CA 1 ATOM 2860 C C . ARG B 1 162 ? 13.275 28.959 29.411 1.00 29.92 ? 190 ARG B C 1 ATOM 2861 O O . ARG B 1 162 ? 14.347 29.261 29.974 1.00 28.98 ? 190 ARG B O 1 ATOM 2862 C CB . ARG B 1 162 ? 11.357 28.141 30.885 1.00 31.81 ? 190 ARG B CB 1 ATOM 2863 C CG . ARG B 1 162 ? 10.140 27.227 30.913 0.010 31.04 ? 190 ARG B CG 1 ATOM 2864 C CD . ARG B 1 162 ? 9.166 27.558 29.792 0.010 31.14 ? 190 ARG B CD 1 ATOM 2865 N NE . ARG B 1 162 ? 7.975 26.717 29.833 0.010 31.02 ? 190 ARG B NE 1 ATOM 2866 C CZ . ARG B 1 162 ? 6.930 26.862 29.027 0.010 31.14 ? 190 ARG B CZ 1 ATOM 2867 N NH1 . ARG B 1 162 ? 6.926 27.821 28.112 0.010 31.36 ? 190 ARG B NH1 1 ATOM 2868 N NH2 . ARG B 1 162 ? 5.888 26.050 29.135 0.010 31.12 ? 190 ARG B NH2 1 ATOM 2869 N N . GLY B 1 163 ? 12.814 29.607 28.347 1.00 31.10 ? 191 GLY B N 1 ATOM 2870 C CA . GLY B 1 163 ? 13.335 30.872 27.912 1.00 32.39 ? 191 GLY B CA 1 ATOM 2871 C C . GLY B 1 163 ? 14.560 30.799 27.037 1.00 33.37 ? 191 GLY B C 1 ATOM 2872 O O . GLY B 1 163 ? 15.099 31.810 26.681 1.00 35.26 ? 191 GLY B O 1 ATOM 2873 N N . ARG B 1 164 ? 15.014 29.618 26.710 1.00 33.60 ? 192 ARG B N 1 ATOM 2874 C CA . ARG B 1 164 ? 16.147 29.478 25.852 1.00 33.57 ? 192 ARG B CA 1 ATOM 2875 C C . ARG B 1 164 ? 16.174 28.055 25.359 1.00 32.56 ? 192 ARG B C 1 ATOM 2876 O O . ARG B 1 164 ? 15.281 27.261 25.576 1.00 32.93 ? 192 ARG B O 1 ATOM 2877 C CB . ARG B 1 164 ? 17.446 29.716 26.603 1.00 33.57 ? 192 ARG B CB 1 ATOM 2878 C CG . ARG B 1 164 ? 17.742 28.755 27.747 1.00 29.15 ? 192 ARG B CG 1 ATOM 2879 C CD . ARG B 1 164 ? 18.856 29.271 28.680 1.00 27.46 ? 192 ARG B CD 1 ATOM 2880 N NE . ARG B 1 164 ? 19.448 28.133 29.462 1.00 25.17 ? 192 ARG B NE 1 ATOM 2881 C CZ . ARG B 1 164 ? 20.467 27.341 29.120 1.00 23.96 ? 192 ARG B CZ 1 ATOM 2882 N NH1 . ARG B 1 164 ? 21.155 27.426 27.970 1.00 23.44 ? 192 ARG B NH1 1 ATOM 2883 N NH2 . ARG B 1 164 ? 20.805 26.377 29.938 1.00 24.19 ? 192 ARG B NH2 1 ATOM 2884 N N . GLN B 1 165 ? 17.158 27.799 24.129 1.00 28.97 ? 194 GLN B N 1 ATOM 2885 C CA . GLN B 1 165 ? 17.156 26.611 23.309 1.00 27.91 ? 194 GLN B CA 1 ATOM 2886 C C . GLN B 1 165 ? 18.223 25.753 23.835 1.00 24.81 ? 194 GLN B C 1 ATOM 2887 O O . GLN B 1 165 ? 19.369 25.974 23.550 1.00 23.93 ? 194 GLN B O 1 ATOM 2888 C CB . GLN B 1 165 ? 17.306 26.989 21.815 1.00 30.95 ? 194 GLN B CB 1 ATOM 2889 C CG . GLN B 1 165 ? 15.918 27.535 21.410 1.00 35.77 ? 194 GLN B CG 1 ATOM 2890 C CD . GLN B 1 165 ? 15.739 27.814 19.942 1.00 41.71 ? 194 GLN B CD 1 ATOM 2891 O OE1 . GLN B 1 165 ? 15.047 27.055 19.203 1.00 49.89 ? 194 GLN B OE1 1 ATOM 2892 N NE2 . GLN B 1 165 ? 16.369 28.842 19.498 1.00 40.24 ? 194 GLN B NE2 1 ATOM 2893 N N . ALA B 1 166 ? 17.825 24.782 24.658 1.00 23.35 ? 195 ALA B N 1 ATOM 2894 C CA . ALA B 1 166 ? 18.762 23.917 25.333 1.00 21.20 ? 195 ALA B CA 1 ATOM 2895 C C . ALA B 1 166 ? 18.075 22.628 25.641 1.00 19.57 ? 195 ALA B C 1 ATOM 2896 O O . ALA B 1 166 ? 16.856 22.581 25.857 1.00 18.86 ? 195 ALA B O 1 ATOM 2897 C CB . ALA B 1 166 ? 19.273 24.613 26.604 1.00 21.32 ? 195 ALA B CB 1 ATOM 2898 N N . GLY B 1 167 ? 18.866 21.554 25.610 1.00 18.58 ? 196 GLY B N 1 ATOM 2899 C CA . GLY B 1 167 ? 18.375 20.207 25.869 1.00 17.44 ? 196 GLY B CA 1 ATOM 2900 C C . GLY B 1 167 ? 19.400 19.163 25.461 1.00 17.08 ? 196 GLY B C 1 ATOM 2901 O O . GLY B 1 167 ? 20.530 19.475 25.094 1.00 16.89 ? 196 GLY B O 1 ATOM 2902 N N . VAL B 1 168 ? 18.986 17.912 25.502 1.00 16.61 ? 197 VAL B N 1 ATOM 2903 C CA . VAL B 1 168 ? 19.808 16.818 25.117 1.00 16.44 ? 197 VAL B CA 1 ATOM 2904 C C . VAL B 1 168 ? 19.715 16.690 23.554 1.00 16.25 ? 197 VAL B C 1 ATOM 2905 O O . VAL B 1 168 ? 18.813 17.268 22.892 1.00 15.47 ? 197 VAL B O 1 ATOM 2906 C CB . VAL B 1 168 ? 19.355 15.517 25.813 1.00 17.66 ? 197 VAL B CB 1 ATOM 2907 C CG1 . VAL B 1 168 ? 19.303 15.675 27.329 1.00 18.72 ? 197 VAL B CG1 1 ATOM 2908 C CG2 . VAL B 1 168 ? 17.946 15.074 25.293 1.00 17.98 ? 197 VAL B CG2 1 ATOM 2909 N N . CYS B 1 169 ? 20.741 16.015 22.997 1.00 16.14 ? 198 CYS B N 1 ATOM 2910 C CA . CYS B 1 169 ? 20.888 15.820 21.580 1.00 15.98 ? 198 CYS B CA 1 ATOM 2911 C C . CYS B 1 169 ? 21.523 14.471 21.318 1.00 15.01 ? 198 CYS B C 1 ATOM 2912 O O . CYS B 1 169 ? 21.739 13.710 22.220 1.00 13.92 ? 198 CYS B O 1 ATOM 2913 C CB . CYS B 1 169 ? 21.733 16.969 20.983 1.00 16.88 ? 198 CYS B CB 1 ATOM 2914 S SG . CYS B 1 169 ? 21.373 17.260 19.228 1.00 18.56 ? 198 CYS B SG 1 ATOM 2915 N N . PHE B 1 170 ? 21.901 14.217 20.060 1.00 15.19 ? 199 PHE B N 1 ATOM 2916 C CA . PHE B 1 170 ? 22.322 12.927 19.641 1.00 15.08 ? 199 PHE B CA 1 ATOM 2917 C C . PHE B 1 170 ? 23.578 12.634 20.375 1.00 15.87 ? 199 PHE B C 1 ATOM 2918 O O . PHE B 1 170 ? 24.416 13.556 20.579 1.00 16.96 ? 199 PHE B O 1 ATOM 2919 C CB . PHE B 1 170 ? 22.488 12.892 18.087 1.00 15.01 ? 199 PHE B CB 1 ATOM 2920 C CG . PHE B 1 170 ? 21.242 12.728 17.362 1.00 14.96 ? 199 PHE B CG 1 ATOM 2921 C CD1 . PHE B 1 170 ? 20.778 11.420 17.050 1.00 15.29 ? 199 PHE B CD1 1 ATOM 2922 C CD2 . PHE B 1 170 ? 20.507 13.777 16.899 1.00 14.57 ? 199 PHE B CD2 1 ATOM 2923 C CE1 . PHE B 1 170 ? 19.643 11.245 16.278 1.00 14.73 ? 199 PHE B CE1 1 ATOM 2924 C CE2 . PHE B 1 170 ? 19.315 13.549 16.202 1.00 14.26 ? 199 PHE B CE2 1 ATOM 2925 C CZ . PHE B 1 170 ? 18.905 12.313 15.901 1.00 14.13 ? 199 PHE B CZ 1 ATOM 2926 N N . GLY B 1 171 ? 23.763 11.396 20.783 1.00 15.69 ? 200 GLY B N 1 ATOM 2927 C CA . GLY B 1 171 ? 24.980 11.064 21.619 1.00 16.24 ? 200 GLY B CA 1 ATOM 2928 C C . GLY B 1 171 ? 24.717 11.204 23.151 1.00 15.73 ? 200 GLY B C 1 ATOM 2929 O O . GLY B 1 171 ? 25.441 10.671 23.964 1.00 15.89 ? 200 GLY B O 1 ATOM 2930 N N . ASP B 1 172 ? 23.699 11.974 23.544 1.00 15.04 ? 201 ASP B N 1 ATOM 2931 C CA . ASP B 1 172 ? 23.304 12.067 24.935 1.00 14.57 ? 201 ASP B CA 1 ATOM 2932 C C . ASP B 1 172 ? 22.352 10.917 25.264 1.00 15.31 ? 201 ASP B C 1 ATOM 2933 O O . ASP B 1 172 ? 22.068 10.643 26.493 1.00 14.95 ? 201 ASP B O 1 ATOM 2934 C CB . ASP B 1 172 ? 22.595 13.347 25.198 1.00 14.62 ? 201 ASP B CB 1 ATOM 2935 C CG . ASP B 1 172 ? 23.531 14.582 25.073 1.00 14.74 ? 201 ASP B CG 1 ATOM 2936 O OD1 . ASP B 1 172 ? 24.720 14.399 25.411 1.00 14.71 ? 201 ASP B OD1 1 ATOM 2937 O OD2 . ASP B 1 172 ? 23.007 15.623 24.594 1.00 14.15 ? 201 ASP B OD2 1 ATOM 2938 N N . SER B 1 173 ? 21.829 10.245 24.199 1.00 14.59 ? 202 SER B N 1 ATOM 2939 C CA . SER B 1 173 ? 20.996 9.033 24.400 1.00 14.90 ? 202 SER B CA 1 ATOM 2940 C C . SER B 1 173 ? 21.606 8.108 25.471 1.00 14.53 ? 202 SER B C 1 ATOM 2941 O O . SER B 1 173 ? 22.810 7.816 25.478 1.00 14.06 ? 202 SER B O 1 ATOM 2942 C CB . SER B 1 173 ? 20.909 8.259 23.125 1.00 14.52 ? 202 SER B CB 1 ATOM 2943 O OG . SER B 1 173 ? 20.203 8.900 22.131 1.00 14.11 ? 202 SER B OG 1 ATOM 2944 N N . GLY B 1 174 ? 20.733 7.598 26.320 1.00 14.59 ? 203 GLY B N 1 ATOM 2945 C CA . GLY B 1 174 ? 21.143 6.699 27.378 1.00 15.15 ? 203 GLY B CA 1 ATOM 2946 C C . GLY B 1 174 ? 21.728 7.270 28.683 1.00 15.78 ? 203 GLY B C 1 ATOM 2947 O O . GLY B 1 174 ? 21.939 6.508 29.628 1.00 15.04 ? 203 GLY B O 1 ATOM 2948 N N . SER B 1 175 ? 21.914 8.598 28.743 1.00 16.44 ? 204 SER B N 1 ATOM 2949 C CA . SER B 1 175 ? 22.653 9.259 29.844 1.00 16.49 ? 204 SER B CA 1 ATOM 2950 C C . SER B 1 175 ? 21.651 9.517 30.937 1.00 17.06 ? 204 SER B C 1 ATOM 2951 O O . SER B 1 175 ? 20.454 9.621 30.667 1.00 16.53 ? 204 SER B O 1 ATOM 2952 C CB . SER B 1 175 ? 23.240 10.584 29.345 1.00 16.33 ? 204 SER B CB 1 ATOM 2953 O OG . SER B 1 175 ? 24.028 10.415 28.147 1.00 16.73 ? 204 SER B OG 1 ATOM 2954 N N . PRO B 1 176 ? 22.093 9.638 32.200 1.00 18.00 ? 205 PRO B N 1 ATOM 2955 C CA . PRO B 1 176 ? 21.174 9.814 33.335 1.00 18.17 ? 205 PRO B CA 1 ATOM 2956 C C . PRO B 1 176 ? 20.687 11.245 33.407 1.00 18.76 ? 205 PRO B C 1 ATOM 2957 O O . PRO B 1 176 ? 21.304 12.178 32.861 1.00 18.99 ? 205 PRO B O 1 ATOM 2958 C CB . PRO B 1 176 ? 22.031 9.556 34.518 1.00 18.74 ? 205 PRO B CB 1 ATOM 2959 C CG . PRO B 1 176 ? 23.434 10.037 34.057 1.00 18.96 ? 205 PRO B CG 1 ATOM 2960 C CD . PRO B 1 176 ? 23.474 9.419 32.674 1.00 18.90 ? 205 PRO B CD 1 ATOM 2961 N N . LEU B 1 177 ? 19.499 11.364 33.973 1.00 18.59 ? 206 LEU B N 1 ATOM 2962 C CA . LEU B 1 177 ? 18.908 12.560 34.439 1.00 18.89 ? 206 LEU B CA 1 ATOM 2963 C C . LEU B 1 177 ? 18.980 12.364 35.937 1.00 19.96 ? 206 LEU B C 1 ATOM 2964 O O . LEU B 1 177 ? 18.374 11.410 36.471 1.00 20.25 ? 206 LEU B O 1 ATOM 2965 C CB . LEU B 1 177 ? 17.441 12.574 34.016 1.00 18.43 ? 206 LEU B CB 1 ATOM 2966 C CG . LEU B 1 177 ? 16.693 13.759 34.543 1.00 18.93 ? 206 LEU B CG 1 ATOM 2967 C CD1 . LEU B 1 177 ? 17.205 15.085 33.900 1.00 18.79 ? 206 LEU B CD1 1 ATOM 2968 C CD2 . LEU B 1 177 ? 15.187 13.643 34.308 1.00 19.50 ? 206 LEU B CD2 1 ATOM 2969 N N . VAL B 1 178 ? 19.660 13.273 36.623 1.00 21.37 ? 207 VAL B N 1 ATOM 2970 C CA . VAL B 1 178 ? 19.804 13.233 38.103 1.00 21.85 ? 207 VAL B CA 1 ATOM 2971 C C . VAL B 1 178 ? 18.916 14.289 38.772 1.00 21.67 ? 207 VAL B C 1 ATOM 2972 O O . VAL B 1 178 ? 19.020 15.464 38.530 1.00 20.65 ? 207 VAL B O 1 ATOM 2973 C CB . VAL B 1 178 ? 21.256 13.533 38.480 1.00 23.69 ? 207 VAL B CB 1 ATOM 2974 C CG1 . VAL B 1 178 ? 21.463 13.200 39.933 1.00 26.26 ? 207 VAL B CG1 1 ATOM 2975 C CG2 . VAL B 1 178 ? 22.223 12.711 37.629 1.00 23.86 ? 207 VAL B CG2 1 ATOM 2976 N N . CYS B 1 179 ? 18.050 13.866 39.658 1.00 22.21 ? 208 CYS B N 1 ATOM 2977 C CA . CYS B 1 179 ? 17.162 14.759 40.384 1.00 22.21 ? 208 CYS B CA 1 ATOM 2978 C C . CYS B 1 179 ? 17.263 14.379 41.835 1.00 22.93 ? 208 CYS B C 1 ATOM 2979 O O . CYS B 1 179 ? 17.144 13.172 42.193 1.00 21.61 ? 208 CYS B O 1 ATOM 2980 C CB . CYS B 1 179 ? 15.721 14.632 39.944 1.00 22.00 ? 208 CYS B CB 1 ATOM 2981 S SG . CYS B 1 179 ? 15.388 14.640 38.164 1.00 22.03 ? 208 CYS B SG 1 ATOM 2982 N N . ASN B 1 180 ? 17.493 15.387 42.678 1.00 23.70 ? 209 ASN B N 1 ATOM 2983 C CA . ASN B 1 180 ? 17.634 15.187 44.108 1.00 24.67 ? 209 ASN B CA 1 ATOM 2984 C C . ASN B 1 180 ? 18.704 14.150 44.427 1.00 24.12 ? 209 ASN B C 1 ATOM 2985 O O . ASN B 1 180 ? 18.490 13.209 45.202 1.00 23.64 ? 209 ASN B O 1 ATOM 2986 C CB . ASN B 1 180 ? 16.347 14.722 44.764 1.00 24.89 ? 209 ASN B CB 1 ATOM 2987 C CG . ASN B 1 180 ? 15.231 15.632 44.508 1.00 26.01 ? 209 ASN B CG 1 ATOM 2988 O OD1 . ASN B 1 180 ? 15.371 16.809 44.597 1.00 26.77 ? 209 ASN B OD1 1 ATOM 2989 N ND2 . ASN B 1 180 ? 14.089 15.084 44.125 1.00 26.32 ? 209 ASN B ND2 1 ATOM 2990 N N . GLY B 1 181 ? 19.914 13.973 43.464 1.00 22.68 ? 214 GLY B N 1 ATOM 2991 C CA . GLY B 1 181 ? 20.827 12.901 43.824 1.00 23.82 ? 214 GLY B CA 1 ATOM 2992 C C . GLY B 1 181 ? 20.490 11.537 43.269 1.00 23.35 ? 214 GLY B C 1 ATOM 2993 O O . GLY B 1 181 ? 21.241 10.572 43.387 1.00 23.60 ? 214 GLY B O 1 ATOM 2994 N N . LEU B 1 182 ? 19.363 11.421 42.611 1.00 23.27 ? 215 LEU B N 1 ATOM 2995 C CA . LEU B 1 182 ? 18.963 10.038 42.241 1.00 22.88 ? 215 LEU B CA 1 ATOM 2996 C C . LEU B 1 182 ? 18.724 9.995 40.729 1.00 20.84 ? 215 LEU B C 1 ATOM 2997 O O . LEU B 1 182 ? 18.377 10.998 40.163 1.00 20.25 ? 215 LEU B O 1 ATOM 2998 C CB . LEU B 1 182 ? 17.703 9.689 42.953 1.00 24.07 ? 215 LEU B CB 1 ATOM 2999 C CG . LEU B 1 182 ? 17.589 9.048 44.333 1.00 25.36 ? 215 LEU B CG 1 ATOM 3000 C CD1 . LEU B 1 182 ? 18.740 8.763 45.231 1.00 25.99 ? 215 LEU B CD1 1 ATOM 3001 C CD2 . LEU B 1 182 ? 16.372 9.524 45.015 1.00 25.64 ? 215 LEU B CD2 1 ATOM 3002 N N . ILE B 1 183 ? 18.911 8.850 40.111 1.00 19.66 ? 216 ILE B N 1 ATOM 3003 C CA . ILE B 1 183 ? 18.798 8.719 38.673 1.00 19.56 ? 216 ILE B CA 1 ATOM 3004 C C . ILE B 1 183 ? 17.342 8.483 38.342 1.00 20.29 ? 216 ILE B C 1 ATOM 3005 O O . ILE B 1 183 ? 16.822 7.346 38.486 1.00 20.52 ? 216 ILE B O 1 ATOM 3006 C CB . ILE B 1 183 ? 19.689 7.609 38.087 1.00 18.62 ? 216 ILE B CB 1 ATOM 3007 C CG1 . ILE B 1 183 ? 21.096 7.742 38.651 1.00 19.10 ? 216 ILE B CG1 1 ATOM 3008 C CG2 . ILE B 1 183 ? 19.768 7.726 36.551 1.00 17.78 ? 216 ILE B CG2 1 ATOM 3009 C CD1 . ILE B 1 183 ? 21.779 9.092 38.478 1.00 18.83 ? 216 ILE B CD1 1 ATOM 3010 N N . HIS B 1 184 ? 16.663 9.549 37.942 1.00 19.48 ? 217 HIS B N 1 ATOM 3011 C CA . HIS B 1 184 ? 15.286 9.377 37.622 1.00 20.11 ? 217 HIS B CA 1 ATOM 3012 C C . HIS B 1 184 ? 14.977 9.196 36.130 1.00 18.79 ? 217 HIS B C 1 ATOM 3013 O O . HIS B 1 184 ? 13.859 8.909 35.750 1.00 17.92 ? 217 HIS B O 1 ATOM 3014 C CB . HIS B 1 184 ? 14.528 10.585 38.107 1.00 21.42 ? 217 HIS B CB 1 ATOM 3015 C CG . HIS B 1 184 ? 14.196 10.571 39.566 1.00 23.37 ? 217 HIS B CG 1 ATOM 3016 N ND1 . HIS B 1 184 ? 12.954 10.176 40.021 1.00 24.75 ? 217 HIS B ND1 1 ATOM 3017 C CD2 . HIS B 1 184 ? 14.819 11.144 40.627 1.00 24.05 ? 217 HIS B CD2 1 ATOM 3018 C CE1 . HIS B 1 184 ? 12.862 10.438 41.309 1.00 24.70 ? 217 HIS B CE1 1 ATOM 3019 N NE2 . HIS B 1 184 ? 14.000 10.983 41.698 1.00 24.89 ? 217 HIS B NE2 1 ATOM 3020 N N . GLY B 1 185 ? 15.975 9.374 35.279 1.00 18.73 ? 218 GLY B N 1 ATOM 3021 C CA . GLY B 1 185 ? 15.735 9.304 33.829 1.00 17.52 ? 218 GLY B CA 1 ATOM 3022 C C . GLY B 1 185 ? 16.908 8.755 33.144 1.00 17.06 ? 218 GLY B C 1 ATOM 3023 O O . GLY B 1 185 ? 18.052 8.808 33.629 1.00 16.99 ? 218 GLY B O 1 ATOM 3024 N N . ILE B 1 186 ? 16.611 8.282 31.965 1.00 16.91 ? 219 ILE B N 1 ATOM 3025 C CA . ILE B 1 186 ? 17.589 7.870 30.993 1.00 16.14 ? 219 ILE B CA 1 ATOM 3026 C C . ILE B 1 186 ? 17.135 8.572 29.711 1.00 15.79 ? 219 ILE B C 1 ATOM 3027 O O . ILE B 1 186 ? 16.008 8.315 29.218 1.00 16.16 ? 219 ILE B O 1 ATOM 3028 C CB . ILE B 1 186 ? 17.523 6.357 30.851 1.00 16.39 ? 219 ILE B CB 1 ATOM 3029 C CG1 . ILE B 1 186 ? 17.877 5.647 32.166 1.00 17.24 ? 219 ILE B CG1 1 ATOM 3030 C CG2 . ILE B 1 186 ? 18.469 5.840 29.708 1.00 16.20 ? 219 ILE B CG2 1 ATOM 3031 C CD1 . ILE B 1 186 ? 17.504 4.162 32.112 1.00 17.65 ? 219 ILE B CD1 1 ATOM 3032 N N . ALA B 1 187 ? 17.999 9.343 29.097 1.00 15.61 ? 220 ALA B N 1 ATOM 3033 C CA . ALA B 1 187 ? 17.687 10.117 27.894 1.00 15.41 ? 220 ALA B CA 1 ATOM 3034 C C . ALA B 1 187 ? 17.163 9.232 26.750 1.00 15.29 ? 220 ALA B C 1 ATOM 3035 O O . ALA B 1 187 ? 17.823 8.219 26.354 1.00 15.81 ? 220 ALA B O 1 ATOM 3036 C CB . ALA B 1 187 ? 18.862 11.014 27.484 1.00 15.63 ? 220 ALA B CB 1 ATOM 3037 N N . SER B 1 188 ? 15.918 9.525 26.327 1.00 15.17 ? 221 SER B N 1 ATOM 3038 C CA . SER B 1 188 ? 15.201 8.723 25.331 1.00 14.66 ? 221 SER B CA 1 ATOM 3039 C C . SER B 1 188 ? 14.931 9.400 24.003 1.00 14.61 ? 221 SER B C 1 ATOM 3040 O O . SER B 1 188 ? 15.298 8.853 22.973 1.00 14.55 ? 221 SER B O 1 ATOM 3041 C CB . SER B 1 188 ? 13.835 8.224 25.890 1.00 14.83 ? 221 SER B CB 1 ATOM 3042 O OG . SER B 1 188 ? 13.302 7.187 25.024 1.00 14.39 ? 221 SER B OG 1 ATOM 3043 N N . PHE B 1 189 ? 14.181 10.490 23.988 1.00 14.69 ? 222 PHE B N 1 ATOM 3044 C CA . PHE B 1 189 ? 13.923 11.178 22.666 1.00 14.85 ? 222 PHE B CA 1 ATOM 3045 C C . PHE B 1 189 ? 13.659 12.618 22.832 1.00 15.75 ? 222 PHE B C 1 ATOM 3046 O O . PHE B 1 189 ? 13.245 13.050 23.942 1.00 16.09 ? 222 PHE B O 1 ATOM 3047 C CB . PHE B 1 189 ? 12.763 10.524 21.881 1.00 14.55 ? 222 PHE B CB 1 ATOM 3048 C CG . PHE B 1 189 ? 11.450 10.525 22.589 1.00 14.53 ? 222 PHE B CG 1 ATOM 3049 C CD1 . PHE B 1 189 ? 11.103 9.496 23.421 1.00 15.12 ? 222 PHE B CD1 1 ATOM 3050 C CD2 . PHE B 1 189 ? 10.564 11.525 22.372 1.00 14.95 ? 222 PHE B CD2 1 ATOM 3051 C CE1 . PHE B 1 189 ? 9.826 9.465 24.054 1.00 15.55 ? 222 PHE B CE1 1 ATOM 3052 C CE2 . PHE B 1 189 ? 9.360 11.593 23.023 1.00 15.11 ? 222 PHE B CE2 1 ATOM 3053 C CZ . PHE B 1 189 ? 8.949 10.549 23.824 1.00 15.56 ? 222 PHE B CZ 1 ATOM 3054 N N . VAL B 1 190 ? 13.767 13.319 21.699 1.00 15.93 ? 223 VAL B N 1 ATOM 3055 C CA . VAL B 1 190 ? 13.460 14.765 21.625 1.00 16.95 ? 223 VAL B CA 1 ATOM 3056 C C . VAL B 1 190 ? 12.332 14.953 20.611 1.00 17.42 ? 223 VAL B C 1 ATOM 3057 O O . VAL B 1 190 ? 12.060 14.108 19.823 1.00 17.22 ? 223 VAL B O 1 ATOM 3058 C CB . VAL B 1 190 ? 14.654 15.635 21.282 1.00 16.27 ? 223 VAL B CB 1 ATOM 3059 C CG1 . VAL B 1 190 ? 15.705 15.487 22.352 1.00 16.21 ? 223 VAL B CG1 1 ATOM 3060 C CG2 . VAL B 1 190 ? 15.238 15.239 19.882 1.00 16.06 ? 223 VAL B CG2 1 ATOM 3061 N N . ARG B 1 191 ? 11.665 16.059 20.725 1.00 19.44 ? 224 ARG B N 1 ATOM 3062 C CA . ARG B 1 191 ? 10.544 16.456 19.894 1.00 22.08 ? 224 ARG B CA 1 ATOM 3063 C C . ARG B 1 191 ? 10.839 17.851 19.316 1.00 20.83 ? 224 ARG B C 1 ATOM 3064 O O . ARG B 1 191 ? 11.337 18.646 20.027 1.00 20.94 ? 224 ARG B O 1 ATOM 3065 C CB . ARG B 1 191 ? 9.366 16.549 20.817 1.00 25.64 ? 224 ARG B CB 1 ATOM 3066 C CG . ARG B 1 191 ? 8.098 16.176 20.141 1.00 30.50 ? 224 ARG B CG 1 ATOM 3067 C CD . ARG B 1 191 ? 7.067 17.221 19.811 1.00 33.68 ? 224 ARG B CD 1 ATOM 3068 N NE . ARG B 1 191 ? 6.043 17.231 20.790 1.00 33.76 ? 224 ARG B NE 1 ATOM 3069 C CZ . ARG B 1 191 ? 4.768 17.653 20.664 1.00 35.31 ? 224 ARG B CZ 1 ATOM 3070 N NH1 . ARG B 1 191 ? 4.218 18.072 19.550 1.00 38.64 ? 224 ARG B NH1 1 ATOM 3071 N NH2 . ARG B 1 191 ? 3.993 17.566 21.728 1.00 31.26 ? 224 ARG B NH2 1 ATOM 3072 N N . GLY B 1 192 ? 10.613 18.078 18.042 1.00 20.08 ? 225 GLY B N 1 ATOM 3073 C CA . GLY B 1 192 ? 10.991 19.323 17.330 1.00 19.82 ? 225 GLY B CA 1 ATOM 3074 C C . GLY B 1 192 ? 12.508 19.405 17.184 1.00 19.53 ? 225 GLY B C 1 ATOM 3075 O O . GLY B 1 192 ? 13.070 20.504 17.075 1.00 21.33 ? 225 GLY B O 1 ATOM 3076 N N . GLY B 1 193 ? 13.181 18.259 17.264 1.00 18.53 ? 226 GLY B N 1 ATOM 3077 C CA . GLY B 1 193 ? 14.619 18.156 17.205 1.00 18.44 ? 226 GLY B CA 1 ATOM 3078 C C . GLY B 1 193 ? 15.280 18.550 18.539 1.00 18.35 ? 226 GLY B C 1 ATOM 3079 O O . GLY B 1 193 ? 14.580 18.869 19.497 1.00 18.35 ? 226 GLY B O 1 ATOM 3080 N N . CYS B 1 194 ? 16.609 18.588 18.577 1.00 17.62 ? 227 CYS B N 1 ATOM 3081 C CA . CYS B 1 194 ? 17.349 19.035 19.775 1.00 18.05 ? 227 CYS B CA 1 ATOM 3082 C C . CYS B 1 194 ? 17.104 20.514 20.094 1.00 18.65 ? 227 CYS B C 1 ATOM 3083 O O . CYS B 1 194 ? 17.046 21.354 19.175 1.00 18.95 ? 227 CYS B O 1 ATOM 3084 C CB . CYS B 1 194 ? 18.834 18.837 19.568 1.00 18.33 ? 227 CYS B CB 1 ATOM 3085 S SG . CYS B 1 194 ? 19.289 17.166 19.089 1.00 17.85 ? 227 CYS B SG 1 ATOM 3086 N N . ALA B 1 195 ? 16.829 20.819 21.347 1.00 19.22 ? 228 ALA B N 1 ATOM 3087 C CA . ALA B 1 195 ? 16.799 22.192 21.872 1.00 19.75 ? 228 ALA B CA 1 ATOM 3088 C C . ALA B 1 195 ? 15.797 23.073 21.159 1.00 20.44 ? 228 ALA B C 1 ATOM 3089 O O . ALA B 1 195 ? 16.095 24.213 20.771 1.00 22.49 ? 228 ALA B O 1 ATOM 3090 C CB . ALA B 1 195 ? 18.199 22.806 21.768 1.00 20.42 ? 228 ALA B CB 1 ATOM 3091 N N . SER B 1 196 ? 14.453 22.411 21.025 1.00 24.01 ? 230 SER B N 1 ATOM 3092 C CA . SER B 1 196 ? 13.499 23.208 20.248 1.00 25.64 ? 230 SER B CA 1 ATOM 3093 C C . SER B 1 196 ? 13.104 24.465 20.927 1.00 29.14 ? 230 SER B C 1 ATOM 3094 O O . SER B 1 196 ? 12.733 25.350 20.260 1.00 28.98 ? 230 SER B O 1 ATOM 3095 C CB . SER B 1 196 ? 12.219 22.429 19.975 1.00 24.78 ? 230 SER B CB 1 ATOM 3096 O OG . SER B 1 196 ? 11.609 21.988 21.160 1.00 23.93 ? 230 SER B OG 1 ATOM 3097 N N . GLY B 1 197 ? 13.093 24.524 22.257 1.00 31.97 ? 231 GLY B N 1 ATOM 3098 C CA . GLY B 1 197 ? 12.639 25.758 22.928 1.00 34.34 ? 231 GLY B CA 1 ATOM 3099 C C . GLY B 1 197 ? 11.126 25.730 22.981 1.00 37.56 ? 231 GLY B C 1 ATOM 3100 O O . GLY B 1 197 ? 10.498 26.689 23.356 1.00 45.65 ? 231 GLY B O 1 ATOM 3101 N N . LEU B 1 198 ? 10.552 24.580 22.713 1.00 37.56 ? 232 LEU B N 1 ATOM 3102 C CA . LEU B 1 198 ? 9.164 24.434 22.389 1.00 37.42 ? 232 LEU B CA 1 ATOM 3103 C C . LEU B 1 198 ? 8.561 23.122 22.999 1.00 35.70 ? 232 LEU B C 1 ATOM 3104 O O . LEU B 1 198 ? 7.420 23.120 23.454 1.00 36.94 ? 232 LEU B O 1 ATOM 3105 C CB . LEU B 1 198 ? 9.130 24.375 20.902 1.00 41.65 ? 232 LEU B CB 1 ATOM 3106 C CG . LEU B 1 198 ? 8.059 25.209 20.255 1.00 48.52 ? 232 LEU B CG 1 ATOM 3107 C CD1 . LEU B 1 198 ? 8.261 25.173 18.723 1.00 47.40 ? 232 LEU B CD1 1 ATOM 3108 C CD2 . LEU B 1 198 ? 6.717 24.583 20.752 1.00 50.66 ? 232 LEU B CD2 1 ATOM 3109 N N . TYR B 1 199 ? 9.320 22.018 22.972 1.00 28.20 ? 233 TYR B N 1 ATOM 3110 C CA . TYR B 1 199 ? 8.867 20.758 23.451 1.00 26.56 ? 233 TYR B CA 1 ATOM 3111 C C . TYR B 1 199 ? 9.849 20.240 24.493 1.00 24.06 ? 233 TYR B C 1 ATOM 3112 O O . TYR B 1 199 ? 11.106 20.321 24.288 1.00 22.55 ? 233 TYR B O 1 ATOM 3113 C CB . TYR B 1 199 ? 8.771 19.761 22.291 1.00 26.14 ? 233 TYR B CB 1 ATOM 3114 C CG . TYR B 1 199 ? 7.822 20.249 21.264 1.00 28.54 ? 233 TYR B CG 1 ATOM 3115 C CD1 . TYR B 1 199 ? 6.488 20.463 21.550 1.00 29.85 ? 233 TYR B CD1 1 ATOM 3116 C CD2 . TYR B 1 199 ? 8.287 20.594 19.970 1.00 31.38 ? 233 TYR B CD2 1 ATOM 3117 C CE1 . TYR B 1 199 ? 5.636 20.972 20.583 1.00 33.52 ? 233 TYR B CE1 1 ATOM 3118 C CE2 . TYR B 1 199 ? 7.426 21.072 18.996 1.00 32.29 ? 233 TYR B CE2 1 ATOM 3119 C CZ . TYR B 1 199 ? 6.120 21.227 19.304 1.00 33.36 ? 233 TYR B CZ 1 ATOM 3120 O OH . TYR B 1 199 ? 5.361 21.738 18.335 1.00 39.71 ? 233 TYR B OH 1 ATOM 3121 N N . PRO B 1 200 ? 9.318 19.620 25.524 1.00 22.06 ? 234 PRO B N 1 ATOM 3122 C CA . PRO B 1 200 ? 10.256 19.036 26.491 1.00 21.77 ? 234 PRO B CA 1 ATOM 3123 C C . PRO B 1 200 ? 11.016 17.849 25.989 1.00 19.44 ? 234 PRO B C 1 ATOM 3124 O O . PRO B 1 200 ? 10.635 17.252 25.006 1.00 19.55 ? 234 PRO B O 1 ATOM 3125 C CB . PRO B 1 200 ? 9.354 18.681 27.680 1.00 22.82 ? 234 PRO B CB 1 ATOM 3126 C CG . PRO B 1 200 ? 7.982 18.388 27.044 1.00 22.59 ? 234 PRO B CG 1 ATOM 3127 C CD . PRO B 1 200 ? 7.904 19.393 25.923 1.00 22.98 ? 234 PRO B CD 1 ATOM 3128 N N . ASP B 1 201 ? 12.145 17.564 26.611 1.00 18.09 ? 235 ASP B N 1 ATOM 3129 C CA . ASP B 1 201 ? 12.907 16.345 26.351 1.00 17.25 ? 235 ASP B CA 1 ATOM 3130 C C . ASP B 1 201 ? 12.288 15.195 27.206 1.00 16.62 ? 235 ASP B C 1 ATOM 3131 O O . ASP B 1 201 ? 11.816 15.426 28.342 1.00 16.42 ? 235 ASP B O 1 ATOM 3132 C CB . ASP B 1 201 ? 14.357 16.488 26.814 1.00 17.42 ? 235 ASP B CB 1 ATOM 3133 C CG . ASP B 1 201 ? 15.187 17.551 25.991 1.00 18.24 ? 235 ASP B CG 1 ATOM 3134 O OD1 . ASP B 1 201 ? 14.754 17.906 24.859 1.00 17.60 ? 235 ASP B OD1 1 ATOM 3135 O OD2 . ASP B 1 201 ? 16.277 17.930 26.530 1.00 18.90 ? 235 ASP B OD2 1 ATOM 3136 N N . ALA B 1 202 ? 12.428 13.996 26.703 1.00 15.33 ? 236 ALA B N 1 ATOM 3137 C CA . ALA B 1 202 ? 11.781 12.832 27.284 1.00 15.54 ? 236 ALA B CA 1 ATOM 3138 C C . ALA B 1 202 ? 12.789 11.813 27.669 1.00 15.08 ? 236 ALA B C 1 ATOM 3139 O O . ALA B 1 202 ? 13.674 11.440 26.898 1.00 15.30 ? 236 ALA B O 1 ATOM 3140 C CB . ALA B 1 202 ? 10.824 12.236 26.252 1.00 15.58 ? 236 ALA B CB 1 ATOM 3141 N N . PHE B 1 203 ? 12.653 11.349 28.873 1.00 15.51 ? 237 PHE B N 1 ATOM 3142 C CA . PHE B 1 203 ? 13.523 10.351 29.461 1.00 15.96 ? 237 PHE B CA 1 ATOM 3143 C C . PHE B 1 203 ? 12.721 9.137 29.843 1.00 16.24 ? 237 PHE B C 1 ATOM 3144 O O . PHE B 1 203 ? 11.585 9.231 30.303 1.00 16.04 ? 237 PHE B O 1 ATOM 3145 C CB . PHE B 1 203 ? 14.101 10.941 30.788 1.00 16.39 ? 237 PHE B CB 1 ATOM 3146 C CG . PHE B 1 203 ? 15.078 12.079 30.557 1.00 16.60 ? 237 PHE B CG 1 ATOM 3147 C CD1 . PHE B 1 203 ? 14.621 13.322 30.304 1.00 16.38 ? 237 PHE B CD1 1 ATOM 3148 C CD2 . PHE B 1 203 ? 16.449 11.869 30.599 1.00 16.76 ? 237 PHE B CD2 1 ATOM 3149 C CE1 . PHE B 1 203 ? 15.510 14.329 30.145 1.00 16.83 ? 237 PHE B CE1 1 ATOM 3150 C CE2 . PHE B 1 203 ? 17.355 12.881 30.318 1.00 16.30 ? 237 PHE B CE2 1 ATOM 3151 C CZ . PHE B 1 203 ? 16.894 14.095 30.057 1.00 16.36 ? 237 PHE B CZ 1 ATOM 3152 N N . ALA B 1 204 ? 13.361 8.004 29.740 1.00 16.65 ? 238 ALA B N 1 ATOM 3153 C CA . ALA B 1 204 ? 12.790 6.793 30.249 1.00 16.96 ? 238 ALA B CA 1 ATOM 3154 C C . ALA B 1 204 ? 12.639 6.919 31.850 1.00 17.40 ? 238 ALA B C 1 ATOM 3155 O O . ALA B 1 204 ? 13.610 7.324 32.596 1.00 17.26 ? 238 ALA B O 1 ATOM 3156 C CB . ALA B 1 204 ? 13.638 5.589 29.839 1.00 16.48 ? 238 ALA B CB 1 ATOM 3157 N N . PRO B 1 205 ? 11.482 6.563 32.365 1.00 17.48 ? 239 PRO B N 1 ATOM 3158 C CA . PRO B 1 205 ? 11.229 6.821 33.802 1.00 18.55 ? 239 PRO B CA 1 ATOM 3159 C C . PRO B 1 205 ? 11.766 5.721 34.645 1.00 18.56 ? 239 PRO B C 1 ATOM 3160 O O . PRO B 1 205 ? 11.086 4.653 34.891 1.00 19.22 ? 239 PRO B O 1 ATOM 3161 C CB . PRO B 1 205 ? 9.706 6.881 33.877 1.00 19.27 ? 239 PRO B CB 1 ATOM 3162 C CG . PRO B 1 205 ? 9.213 5.970 32.771 1.00 19.13 ? 239 PRO B CG 1 ATOM 3163 C CD . PRO B 1 205 ? 10.271 6.156 31.673 1.00 18.48 ? 239 PRO B CD 1 ATOM 3164 N N . VAL B 1 206 ? 12.945 5.930 35.126 1.00 18.53 ? 240 VAL B N 1 ATOM 3165 C CA . VAL B 1 206 ? 13.668 4.871 35.884 1.00 19.33 ? 240 VAL B CA 1 ATOM 3166 C C . VAL B 1 206 ? 12.827 4.386 37.063 1.00 19.72 ? 240 VAL B C 1 ATOM 3167 O O . VAL B 1 206 ? 12.784 3.176 37.290 1.00 20.89 ? 240 VAL B O 1 ATOM 3168 C CB . VAL B 1 206 ? 15.021 5.354 36.387 1.00 19.47 ? 240 VAL B CB 1 ATOM 3169 C CG1 . VAL B 1 206 ? 15.672 4.362 37.364 1.00 20.59 ? 240 VAL B CG1 1 ATOM 3170 C CG2 . VAL B 1 206 ? 15.988 5.743 35.245 1.00 18.77 ? 240 VAL B CG2 1 ATOM 3171 N N . ALA B 1 207 ? 12.137 5.264 37.751 1.00 19.31 ? 241 ALA B N 1 ATOM 3172 C CA . ALA B 1 207 ? 11.313 4.826 38.904 1.00 20.63 ? 241 ALA B CA 1 ATOM 3173 C C . ALA B 1 207 ? 10.198 3.824 38.518 1.00 20.56 ? 241 ALA B C 1 ATOM 3174 O O . ALA B 1 207 ? 9.789 3.070 39.341 1.00 21.33 ? 241 ALA B O 1 ATOM 3175 C CB . ALA B 1 207 ? 10.714 6.005 39.700 1.00 20.31 ? 241 ALA B CB 1 ATOM 3176 N N . GLN B 1 208 ? 9.794 3.733 37.241 1.00 21.08 ? 242 GLN B N 1 ATOM 3177 C CA . GLN B 1 208 ? 8.784 2.730 36.825 1.00 20.96 ? 242 GLN B CA 1 ATOM 3178 C C . GLN B 1 208 ? 9.402 1.366 36.712 1.00 21.58 ? 242 GLN B C 1 ATOM 3179 O O . GLN B 1 208 ? 8.678 0.408 36.714 1.00 21.26 ? 242 GLN B O 1 ATOM 3180 C CB . GLN B 1 208 ? 7.980 3.201 35.594 1.00 21.13 ? 242 GLN B CB 1 ATOM 3181 C CG . GLN B 1 208 ? 7.172 4.501 35.877 1.00 21.73 ? 242 GLN B CG 1 ATOM 3182 C CD . GLN B 1 208 ? 6.450 5.050 34.630 1.00 22.47 ? 242 GLN B CD 1 ATOM 3183 O OE1 . GLN B 1 208 ? 6.264 6.282 34.441 1.00 25.19 ? 242 GLN B OE1 1 ATOM 3184 N NE2 . GLN B 1 208 ? 6.094 4.183 33.764 1.00 21.80 ? 242 GLN B NE2 1 ATOM 3185 N N . PHE B 1 209 ? 10.740 1.253 36.760 1.00 21.06 ? 243 PHE B N 1 ATOM 3186 C CA . PHE B 1 209 ? 11.475 0.012 36.421 1.00 20.33 ? 243 PHE B CA 1 ATOM 3187 C C . PHE B 1 209 ? 12.380 -0.497 37.538 1.00 19.96 ? 243 PHE B C 1 ATOM 3188 O O . PHE B 1 209 ? 13.207 -1.387 37.346 1.00 20.01 ? 243 PHE B O 1 ATOM 3189 C CB . PHE B 1 209 ? 12.365 0.288 35.156 1.00 20.27 ? 243 PHE B CB 1 ATOM 3190 C CG . PHE B 1 209 ? 11.582 0.799 33.984 1.00 20.57 ? 243 PHE B CG 1 ATOM 3191 C CD1 . PHE B 1 209 ? 10.560 0.036 33.434 1.00 21.56 ? 243 PHE B CD1 1 ATOM 3192 C CD2 . PHE B 1 209 ? 11.873 2.020 33.392 1.00 20.80 ? 243 PHE B CD2 1 ATOM 3193 C CE1 . PHE B 1 209 ? 9.793 0.518 32.347 1.00 22.36 ? 243 PHE B CE1 1 ATOM 3194 C CE2 . PHE B 1 209 ? 11.087 2.548 32.375 1.00 20.67 ? 243 PHE B CE2 1 ATOM 3195 C CZ . PHE B 1 209 ? 10.050 1.793 31.828 1.00 21.67 ? 243 PHE B CZ 1 ATOM 3196 N N . VAL B 1 210 ? 12.243 0.065 38.704 1.00 19.91 ? 244 VAL B N 1 ATOM 3197 C CA . VAL B 1 210 ? 13.192 -0.210 39.780 1.00 20.72 ? 244 VAL B CA 1 ATOM 3198 C C . VAL B 1 210 ? 13.047 -1.625 40.226 1.00 21.46 ? 244 VAL B C 1 ATOM 3199 O O . VAL B 1 210 ? 14.038 -2.292 40.432 1.00 21.12 ? 244 VAL B O 1 ATOM 3200 C CB . VAL B 1 210 ? 12.948 0.789 40.945 1.00 21.16 ? 244 VAL B CB 1 ATOM 3201 C CG1 . VAL B 1 210 ? 13.463 0.317 42.336 1.00 21.79 ? 244 VAL B CG1 1 ATOM 3202 C CG2 . VAL B 1 210 ? 13.566 2.145 40.588 1.00 20.72 ? 244 VAL B CG2 1 ATOM 3203 N N . ASN B 1 211 ? 11.779 -2.081 40.407 1.00 22.73 ? 245 ASN B N 1 ATOM 3204 C CA . ASN B 1 211 ? 11.524 -3.505 40.676 1.00 23.08 ? 245 ASN B CA 1 ATOM 3205 C C . ASN B 1 211 ? 12.281 -4.362 39.681 1.00 22.32 ? 245 ASN B C 1 ATOM 3206 O O . ASN B 1 211 ? 13.007 -5.290 40.049 1.00 21.98 ? 245 ASN B O 1 ATOM 3207 C CB . ASN B 1 211 ? 10.061 -3.791 40.525 1.00 24.39 ? 245 ASN B CB 1 ATOM 3208 C CG . ASN B 1 211 ? 9.246 -3.268 41.696 1.00 25.76 ? 245 ASN B CG 1 ATOM 3209 O OD1 . ASN B 1 211 ? 9.791 -2.968 42.744 1.00 24.43 ? 245 ASN B OD1 1 ATOM 3210 N ND2 . ASN B 1 211 ? 7.932 -3.182 41.511 1.00 26.24 ? 245 ASN B ND2 1 ATOM 3211 N N . TRP B 1 212 ? 12.186 -4.017 38.410 1.00 21.74 ? 246 TRP B N 1 ATOM 3212 C CA . TRP B 1 212 ? 12.966 -4.773 37.369 1.00 21.11 ? 246 TRP B CA 1 ATOM 3213 C C . TRP B 1 212 ? 14.462 -4.703 37.493 1.00 20.38 ? 246 TRP B C 1 ATOM 3214 O O . TRP B 1 212 ? 15.192 -5.692 37.460 1.00 20.67 ? 246 TRP B O 1 ATOM 3215 C CB . TRP B 1 212 ? 12.475 -4.365 35.993 1.00 21.45 ? 246 TRP B CB 1 ATOM 3216 C CG . TRP B 1 212 ? 13.297 -5.005 34.845 1.00 21.78 ? 246 TRP B CG 1 ATOM 3217 C CD1 . TRP B 1 212 ? 13.182 -6.257 34.384 1.00 22.35 ? 246 TRP B CD1 1 ATOM 3218 C CD2 . TRP B 1 212 ? 14.281 -4.352 34.042 1.00 21.06 ? 246 TRP B CD2 1 ATOM 3219 N NE1 . TRP B 1 212 ? 14.074 -6.466 33.316 1.00 22.65 ? 246 TRP B NE1 1 ATOM 3220 C CE2 . TRP B 1 212 ? 14.786 -5.313 33.126 1.00 21.59 ? 246 TRP B CE2 1 ATOM 3221 C CE3 . TRP B 1 212 ? 14.865 -3.096 34.090 1.00 21.20 ? 246 TRP B CE3 1 ATOM 3222 C CZ2 . TRP B 1 212 ? 15.783 -5.009 32.152 1.00 21.28 ? 246 TRP B CZ2 1 ATOM 3223 C CZ3 . TRP B 1 212 ? 15.886 -2.777 33.142 1.00 20.27 ? 246 TRP B CZ3 1 ATOM 3224 C CH2 . TRP B 1 212 ? 16.324 -3.758 32.203 1.00 20.49 ? 246 TRP B CH2 1 ATOM 3225 N N . ILE B 1 213 ? 14.954 -3.526 37.787 1.00 20.26 ? 247 ILE B N 1 ATOM 3226 C CA . ILE B 1 213 ? 16.404 -3.306 37.940 1.00 20.62 ? 247 ILE B CA 1 ATOM 3227 C C . ILE B 1 213 ? 16.891 -4.076 39.125 1.00 22.34 ? 247 ILE B C 1 ATOM 3228 O O . ILE B 1 213 ? 17.982 -4.717 39.115 1.00 22.14 ? 247 ILE B O 1 ATOM 3229 C CB . ILE B 1 213 ? 16.675 -1.795 38.147 1.00 20.37 ? 247 ILE B CB 1 ATOM 3230 C CG1 . ILE B 1 213 ? 16.464 -0.985 36.868 1.00 19.67 ? 247 ILE B CG1 1 ATOM 3231 C CG2 . ILE B 1 213 ? 18.104 -1.523 38.619 1.00 21.18 ? 247 ILE B CG2 1 ATOM 3232 C CD1 . ILE B 1 213 ? 16.253 0.476 37.148 1.00 19.45 ? 247 ILE B CD1 1 ATOM 3233 N N . ASP B 1 214 ? 16.111 -3.960 40.207 1.00 23.82 ? 248 ASP B N 1 ATOM 3234 C CA . ASP B 1 214 ? 16.416 -4.755 41.461 1.00 25.17 ? 248 ASP B CA 1 ATOM 3235 C C . ASP B 1 214 ? 16.400 -6.243 41.235 1.00 24.69 ? 248 ASP B C 1 ATOM 3236 O O . ASP B 1 214 ? 17.250 -6.985 41.787 1.00 23.32 ? 248 ASP B O 1 ATOM 3237 C CB . ASP B 1 214 ? 15.462 -4.452 42.679 1.00 26.34 ? 248 ASP B CB 1 ATOM 3238 C CG . ASP B 1 214 ? 15.693 -3.085 43.258 1.00 27.34 ? 248 ASP B CG 1 ATOM 3239 O OD1 . ASP B 1 214 ? 16.775 -2.506 43.035 1.00 28.26 ? 248 ASP B OD1 1 ATOM 3240 O OD2 . ASP B 1 214 ? 14.730 -2.533 43.855 1.00 30.49 ? 248 ASP B OD2 1 ATOM 3241 N N . SER B 1 215 ? 15.482 -6.696 40.415 1.00 24.73 ? 249 SER B N 1 ATOM 3242 C CA . SER B 1 215 ? 15.476 -8.100 40.170 1.00 25.88 ? 249 SER B CA 1 ATOM 3243 C C . SER B 1 215 ? 16.796 -8.599 39.604 1.00 27.17 ? 249 SER B C 1 ATOM 3244 O O . SER B 1 215 ? 16.968 -9.840 39.543 1.00 29.07 ? 249 SER B O 1 ATOM 3245 C CB . SER B 1 215 ? 14.333 -8.484 39.199 1.00 26.56 ? 249 SER B CB 1 ATOM 3246 O OG . SER B 1 215 ? 14.588 -8.194 37.780 1.00 25.61 ? 249 SER B OG 1 ATOM 3247 N N . ILE B 1 216 ? 17.616 -7.700 39.008 1.00 26.86 ? 250 ILE B N 1 ATOM 3248 C CA . ILE B 1 216 ? 18.855 -8.034 38.299 1.00 27.18 ? 250 ILE B CA 1 ATOM 3249 C C . ILE B 1 216 ? 19.974 -7.650 39.205 1.00 30.02 ? 250 ILE B C 1 ATOM 3250 O O . ILE B 1 216 ? 20.935 -8.369 39.282 1.00 30.29 ? 250 ILE B O 1 ATOM 3251 C CB . ILE B 1 216 ? 19.025 -7.231 36.995 1.00 25.70 ? 250 ILE B CB 1 ATOM 3252 C CG1 . ILE B 1 216 ? 18.025 -7.710 35.932 1.00 25.11 ? 250 ILE B CG1 1 ATOM 3253 C CG2 . ILE B 1 216 ? 20.441 -7.322 36.413 1.00 26.16 ? 250 ILE B CG2 1 ATOM 3254 C CD1 . ILE B 1 216 ? 17.723 -6.657 34.855 1.00 23.63 ? 250 ILE B CD1 1 ATOM 3255 N N . ILE B 1 217 ? 19.953 -6.447 39.800 1.00 31.55 ? 251 ILE B N 1 ATOM 3256 C CA . ILE B 1 217 ? 21.158 -6.034 40.491 1.00 34.60 ? 251 ILE B CA 1 ATOM 3257 C C . ILE B 1 217 ? 21.113 -6.487 41.916 1.00 41.25 ? 251 ILE B C 1 ATOM 3258 O O . ILE B 1 217 ? 22.142 -6.379 42.558 1.00 43.84 ? 251 ILE B O 1 ATOM 3259 C CB . ILE B 1 217 ? 21.435 -4.487 40.452 1.00 33.60 ? 251 ILE B CB 1 ATOM 3260 C CG1 . ILE B 1 217 ? 20.387 -3.715 41.252 1.00 32.41 ? 251 ILE B CG1 1 ATOM 3261 C CG2 . ILE B 1 217 ? 21.570 -3.999 38.974 1.00 34.11 ? 251 ILE B CG2 1 ATOM 3262 C CD1 . ILE B 1 217 ? 20.689 -2.236 41.454 1.00 33.31 ? 251 ILE B CD1 1 ATOM 3263 N N . GLN B 1 218 ? 19.919 -6.895 42.413 1.00 47.57 ? 252 GLN B N 1 ATOM 3264 C CA . GLN B 1 218 ? 19.621 -7.270 43.828 1.00 52.43 ? 252 GLN B CA 1 ATOM 3265 C C . GLN B 1 218 ? 19.071 -6.074 44.593 1.00 53.69 ? 252 GLN B C 1 ATOM 3266 O O . GLN B 1 218 ? 18.008 -6.195 45.227 1.00 56.02 ? 252 GLN B O 1 ATOM 3267 C CB . GLN B 1 218 ? 20.804 -7.858 44.577 1.00 56.73 ? 252 GLN B CB 1 ATOM 3268 C CG . GLN B 1 218 ? 21.530 -8.998 43.871 1.00 61.56 ? 252 GLN B CG 1 ATOM 3269 C CD . GLN B 1 218 ? 22.686 -9.528 44.687 1.00 73.76 ? 252 GLN B CD 1 ATOM 3270 O OE1 . GLN B 1 218 ? 23.405 -8.769 45.389 1.00 77.13 ? 252 GLN B OE1 1 ATOM 3271 N NE2 . GLN B 1 218 ? 22.842 -10.864 44.663 1.00 78.40 ? 252 GLN B NE2 1 ATOM 3272 O OXT . GLN B 1 218 ? 19.649 -4.988 44.604 0.010 53.31 ? 252 GLN B OXT 1 HETATM 3273 C C1 . NAG C 2 . ? 4.477 13.841 -7.565 1.00 29.95 ? 401 NAG A C1 1 HETATM 3274 C C2 . NAG C 2 . ? 4.080 14.814 -8.645 1.00 33.19 ? 401 NAG A C2 1 HETATM 3275 C C3 . NAG C 2 . ? 3.573 14.012 -9.846 1.00 34.37 ? 401 NAG A C3 1 HETATM 3276 C C4 . NAG C 2 . ? 4.642 13.058 -10.294 1.00 36.26 ? 401 NAG A C4 1 HETATM 3277 C C5 . NAG C 2 . ? 5.046 12.120 -9.136 1.00 33.74 ? 401 NAG A C5 1 HETATM 3278 C C6 . NAG C 2 . ? 6.319 11.319 -9.453 1.00 33.98 ? 401 NAG A C6 1 HETATM 3279 C C7 . NAG C 2 . ? 3.068 16.886 -7.776 1.00 33.35 ? 401 NAG A C7 1 HETATM 3280 C C8 . NAG C 2 . ? 1.799 17.582 -7.449 1.00 34.67 ? 401 NAG A C8 1 HETATM 3281 N N2 . NAG C 2 . ? 2.963 15.661 -8.219 1.00 32.88 ? 401 NAG A N2 1 HETATM 3282 O O3 . NAG C 2 . ? 3.219 14.925 -10.858 1.00 36.64 ? 401 NAG A O3 1 HETATM 3283 O O4 . NAG C 2 . ? 4.175 12.317 -11.416 1.00 41.86 ? 401 NAG A O4 1 HETATM 3284 O O5 . NAG C 2 . ? 5.389 12.882 -7.994 1.00 30.87 ? 401 NAG A O5 1 HETATM 3285 O O6 . NAG C 2 . ? 7.435 12.212 -9.743 1.00 31.98 ? 401 NAG A O6 1 HETATM 3286 O O7 . NAG C 2 . ? 4.159 17.380 -7.576 1.00 35.10 ? 401 NAG A O7 1 HETATM 3287 C C1 . FUC D 3 . ? 8.131 11.828 -10.941 1.00 30.44 ? 402 FUC A C1 1 HETATM 3288 C C2 . FUC D 3 . ? 9.194 12.885 -11.102 1.00 29.94 ? 402 FUC A C2 1 HETATM 3289 C C3 . FUC D 3 . ? 10.155 12.765 -9.923 1.00 28.28 ? 402 FUC A C3 1 HETATM 3290 C C4 . FUC D 3 . ? 10.683 11.349 -9.866 1.00 27.58 ? 402 FUC A C4 1 HETATM 3291 C C5 . FUC D 3 . ? 9.516 10.406 -9.630 1.00 28.19 ? 402 FUC A C5 1 HETATM 3292 C C6 . FUC D 3 . ? 9.851 8.924 -9.457 1.00 28.11 ? 402 FUC A C6 1 HETATM 3293 O O2 . FUC D 3 . ? 8.573 14.153 -10.960 1.00 29.14 ? 402 FUC A O2 1 HETATM 3294 O O3 . FUC D 3 . ? 11.170 13.700 -10.120 1.00 27.23 ? 402 FUC A O3 1 HETATM 3295 O O4 . FUC D 3 . ? 11.320 11.088 -11.077 1.00 26.45 ? 402 FUC A O4 1 HETATM 3296 O O5 . FUC D 3 . ? 8.664 10.542 -10.762 1.00 28.83 ? 402 FUC A O5 1 HETATM 3297 C C1 . NAG E 2 . ? 4.540 12.784 -12.699 1.00 43.99 ? 403 NAG A C1 1 HETATM 3298 C C2 . NAG E 2 . ? 4.470 11.511 -13.536 1.00 44.98 ? 403 NAG A C2 1 HETATM 3299 C C3 . NAG E 2 . ? 4.664 11.800 -15.031 1.00 48.34 ? 403 NAG A C3 1 HETATM 3300 C C4 . NAG E 2 . ? 3.728 12.870 -15.571 1.00 50.66 ? 403 NAG A C4 1 HETATM 3301 C C5 . NAG E 2 . ? 3.768 14.077 -14.598 1.00 50.79 ? 403 NAG A C5 1 HETATM 3302 C C6 . NAG E 2 . ? 2.600 14.969 -14.989 1.00 52.04 ? 403 NAG A C6 1 HETATM 3303 C C7 . NAG E 2 . ? 5.118 9.351 -12.517 1.00 39.51 ? 403 NAG A C7 1 HETATM 3304 C C8 . NAG E 2 . ? 6.148 8.301 -12.219 1.00 38.14 ? 403 NAG A C8 1 HETATM 3305 N N2 . NAG E 2 . ? 5.455 10.477 -13.167 1.00 41.91 ? 403 NAG A N2 1 HETATM 3306 O O3 . NAG E 2 . ? 4.409 10.577 -15.766 1.00 48.22 ? 403 NAG A O3 1 HETATM 3307 O O4 . NAG E 2 . ? 3.950 13.123 -17.037 1.00 56.95 ? 403 NAG A O4 1 HETATM 3308 O O5 . NAG E 2 . ? 3.612 13.745 -13.163 1.00 47.64 ? 403 NAG A O5 1 HETATM 3309 O O6 . NAG E 2 . ? 2.437 15.927 -13.956 1.00 54.20 ? 403 NAG A O6 1 HETATM 3310 O O7 . NAG E 2 . ? 3.981 9.189 -12.155 1.00 40.02 ? 403 NAG A O7 1 HETATM 3311 C C1 . NAG F 2 . ? 23.946 -14.975 1.285 1.00 51.00 ? 411 NAG A C1 1 HETATM 3312 C C2 . NAG F 2 . ? 23.975 -16.478 1.001 1.00 56.85 ? 411 NAG A C2 1 HETATM 3313 C C3 . NAG F 2 . ? 22.574 -17.136 1.046 1.00 58.93 ? 411 NAG A C3 1 HETATM 3314 C C4 . NAG F 2 . ? 21.960 -16.924 2.464 1.00 58.43 ? 411 NAG A C4 1 HETATM 3315 C C5 . NAG F 2 . ? 22.004 -15.363 2.620 1.00 57.77 ? 411 NAG A C5 1 HETATM 3316 C C6 . NAG F 2 . ? 21.400 -14.871 3.905 1.00 55.89 ? 411 NAG A C6 1 HETATM 3317 C C7 . NAG F 2 . ? 25.645 -16.918 -0.723 1.00 59.26 ? 411 NAG A C7 1 HETATM 3318 C C8 . NAG F 2 . ? 26.720 -17.407 0.227 1.00 58.70 ? 411 NAG A C8 1 HETATM 3319 N N2 . NAG F 2 . ? 24.442 -16.529 -0.340 1.00 57.12 ? 411 NAG A N2 1 HETATM 3320 O O3 . NAG F 2 . ? 22.715 -18.474 0.554 1.00 60.74 ? 411 NAG A O3 1 HETATM 3321 O O4 . NAG F 2 . ? 20.630 -17.490 2.717 1.00 58.68 ? 411 NAG A O4 1 HETATM 3322 O O5 . NAG F 2 . ? 23.344 -14.790 2.554 1.00 53.58 ? 411 NAG A O5 1 HETATM 3323 O O6 . NAG F 2 . ? 22.275 -15.317 4.947 1.00 55.44 ? 411 NAG A O6 1 HETATM 3324 O O7 . NAG F 2 . ? 25.794 -16.867 -1.928 1.00 62.90 ? 411 NAG A O7 1 HETATM 3325 C C1 . FUC G 3 . ? 21.510 -15.147 6.164 1.00 60.03 ? 412 FUC A C1 1 HETATM 3326 C C2 . FUC G 3 . ? 21.935 -16.216 7.180 1.00 62.94 ? 412 FUC A C2 1 HETATM 3327 C C3 . FUC G 3 . ? 23.116 -15.806 8.037 1.00 64.82 ? 412 FUC A C3 1 HETATM 3328 C C4 . FUC G 3 . ? 23.130 -14.287 8.379 1.00 62.87 ? 412 FUC A C4 1 HETATM 3329 C C5 . FUC G 3 . ? 22.869 -13.407 7.167 1.00 60.17 ? 412 FUC A C5 1 HETATM 3330 C C6 . FUC G 3 . ? 22.876 -11.932 7.576 1.00 57.25 ? 412 FUC A C6 1 HETATM 3331 O O2 . FUC G 3 . ? 22.332 -17.445 6.584 1.00 62.17 ? 412 FUC A O2 1 HETATM 3332 O O3 . FUC G 3 . ? 22.979 -16.700 9.158 1.00 68.35 ? 412 FUC A O3 1 HETATM 3333 O O4 . FUC G 3 . ? 22.106 -13.882 9.293 1.00 62.16 ? 412 FUC A O4 1 HETATM 3334 O O5 . FUC G 3 . ? 21.592 -13.789 6.646 1.00 59.82 ? 412 FUC A O5 1 HETATM 3335 C C28 . JJV H 4 . ? 23.147 12.982 14.997 1.00 14.70 ? 1001 JJV A C28 1 HETATM 3336 S S26 . JJV H 4 . ? 24.375 12.569 14.112 1.00 15.23 ? 1001 JJV A S26 1 HETATM 3337 O O27 . JJV H 4 . ? 25.764 13.156 14.045 1.00 15.37 ? 1001 JJV A O27 1 HETATM 3338 O O29 . JJV H 4 . ? 24.808 11.135 14.566 1.00 18.58 ? 1001 JJV A O29 1 HETATM 3339 C C4 . JJV H 4 . ? 23.827 12.339 12.429 1.00 15.13 ? 1001 JJV A C4 1 HETATM 3340 C C2 . JJV H 4 . ? 24.764 12.686 11.434 1.00 14.79 ? 1001 JJV A C2 1 HETATM 3341 C C1 . JJV H 4 . ? 24.391 12.520 10.100 1.00 14.99 ? 1001 JJV A C1 1 HETATM 3342 C C31 . JJV H 4 . ? 25.241 12.832 9.021 1.00 15.64 ? 1001 JJV A C31 1 HETATM 3343 N N30 . JJV H 4 . ? 25.916 13.052 8.152 1.00 16.80 ? 1001 JJV A N30 1 HETATM 3344 C C3 . JJV H 4 . ? 23.156 12.031 9.798 1.00 14.82 ? 1001 JJV A C3 1 HETATM 3345 C C5 . JJV H 4 . ? 22.210 11.749 10.759 1.00 14.87 ? 1001 JJV A C5 1 HETATM 3346 C C6 . JJV H 4 . ? 22.525 11.907 12.117 1.00 14.76 ? 1001 JJV A C6 1 HETATM 3347 C C22 . JJV H 4 . ? 21.356 11.620 13.148 1.00 15.07 ? 1001 JJV A C22 1 HETATM 3348 C C9 . JJV H 4 . ? 20.647 10.291 12.998 1.00 14.84 ? 1001 JJV A C9 1 HETATM 3349 C C11 . JJV H 4 . ? 19.426 10.203 12.439 1.00 14.48 ? 1001 JJV A C11 1 HETATM 3350 C C25 . JJV H 4 . ? 18.777 8.805 12.252 1.00 14.78 ? 1001 JJV A C25 1 HETATM 3351 C C24 . JJV H 4 . ? 21.435 9.213 13.359 1.00 15.23 ? 1001 JJV A C24 1 HETATM 3352 N N32 . JJV H 4 . ? 22.068 8.322 13.637 1.00 16.13 ? 1001 JJV A N32 1 HETATM 3353 N N7 . JJV H 4 . ? 20.434 12.770 12.889 1.00 14.96 ? 1001 JJV A N7 1 HETATM 3354 C C8 . JJV H 4 . ? 19.240 12.595 12.277 1.00 14.71 ? 1001 JJV A C8 1 HETATM 3355 O O23 . JJV H 4 . ? 18.496 13.537 12.037 1.00 14.17 ? 1001 JJV A O23 1 HETATM 3356 N N10 . JJV H 4 . ? 18.718 11.316 12.152 1.00 14.77 ? 1001 JJV A N10 1 HETATM 3357 C C12 . JJV H 4 . ? 17.540 11.266 11.430 1.00 14.96 ? 1001 JJV A C12 1 HETATM 3358 C C13 . JJV H 4 . ? 17.667 11.100 10.056 1.00 15.64 ? 1001 JJV A C13 1 HETATM 3359 C C14 . JJV H 4 . ? 16.281 11.363 11.982 1.00 15.54 ? 1001 JJV A C14 1 HETATM 3360 C C16 . JJV H 4 . ? 15.188 11.389 11.160 1.00 16.61 ? 1001 JJV A C16 1 HETATM 3361 C C17 . JJV H 4 . ? 15.279 11.152 9.755 1.00 16.05 ? 1001 JJV A C17 1 HETATM 3362 C C15 . JJV H 4 . ? 16.553 11.013 9.195 1.00 15.93 ? 1001 JJV A C15 1 HETATM 3363 C C18 . JJV H 4 . ? 16.710 10.852 7.680 1.00 16.20 ? 1001 JJV A C18 1 HETATM 3364 F F20 . JJV H 4 . ? 15.623 10.257 7.173 1.00 16.16 ? 1001 JJV A F20 1 HETATM 3365 F F21 . JJV H 4 . ? 16.707 12.002 7.053 1.00 17.05 ? 1001 JJV A F21 1 HETATM 3366 F F19 . JJV H 4 . ? 17.787 10.210 7.276 1.00 16.41 ? 1001 JJV A F19 1 HETATM 3367 O O1 . MES I 5 . ? 21.165 15.385 13.483 1.00 20.70 ? 1002 MES A O1 1 HETATM 3368 C C2 . MES I 5 . ? 20.001 16.104 13.691 1.00 21.39 ? 1002 MES A C2 1 HETATM 3369 C C3 . MES I 5 . ? 20.051 17.505 13.089 1.00 21.60 ? 1002 MES A C3 1 HETATM 3370 N N4 . MES I 5 . ? 21.196 18.170 13.665 1.00 22.80 ? 1002 MES A N4 1 HETATM 3371 C C5 . MES I 5 . ? 22.384 17.394 13.211 1.00 22.96 ? 1002 MES A C5 1 HETATM 3372 C C6 . MES I 5 . ? 22.310 15.987 13.870 1.00 22.07 ? 1002 MES A C6 1 HETATM 3373 C C7 . MES I 5 . ? 21.380 19.564 13.193 1.00 23.42 ? 1002 MES A C7 1 HETATM 3374 C C8 . MES I 5 . ? 21.164 19.734 11.646 1.00 25.16 ? 1002 MES A C8 1 HETATM 3375 S S . MES I 5 . ? 21.527 21.454 11.099 1.00 24.89 ? 1002 MES A S 1 HETATM 3376 O O1S . MES I 5 . ? 22.921 21.662 11.505 1.00 27.30 ? 1002 MES A O1S 1 HETATM 3377 O O2S . MES I 5 . ? 20.576 22.386 11.707 1.00 25.32 ? 1002 MES A O2S 1 HETATM 3378 O O3S . MES I 5 . ? 21.501 21.469 9.601 1.00 25.11 ? 1002 MES A O3S 1 HETATM 3379 O O1 . XPE J 6 . ? 25.215 9.165 18.329 1.00 22.39 ? 1003 XPE A O1 1 HETATM 3380 C C2 . XPE J 6 . ? 26.285 10.389 18.460 1.00 20.90 ? 1003 XPE A C2 1 HETATM 3381 C C3 . XPE J 6 . ? 26.745 10.734 17.171 1.00 21.81 ? 1003 XPE A C3 1 HETATM 3382 O O4 . XPE J 6 . ? 27.505 11.926 17.183 1.00 25.82 ? 1003 XPE A O4 1 HETATM 3383 C C5 . XPE J 6 . ? 28.751 11.828 16.214 1.00 23.86 ? 1003 XPE A C5 1 HETATM 3384 C C6 . XPE J 6 . ? 29.986 10.994 16.553 1.00 24.00 ? 1003 XPE A C6 1 HETATM 3385 C C8 . XPE J 6 . ? 20.784 4.248 12.904 1.00 20.71 ? 1003 XPE A C8 1 HETATM 3386 C C9 . XPE J 6 . ? 21.097 2.799 12.782 1.00 21.68 ? 1003 XPE A C9 1 HETATM 3387 O O10 . XPE J 6 . ? 21.640 1.598 13.691 1.00 25.92 ? 1003 XPE A O10 1 HETATM 3388 C C11 . XPE J 6 . ? 22.691 1.529 14.639 1.00 25.33 ? 1003 XPE A C11 1 HETATM 3389 C C12 . XPE J 6 . ? 22.782 1.109 16.176 1.00 28.29 ? 1003 XPE A C12 1 HETATM 3390 O O13 . XPE J 6 . ? 23.499 2.326 16.727 1.00 26.25 ? 1003 XPE A O13 1 HETATM 3391 C C14 . XPE J 6 . ? 23.183 2.455 18.017 1.00 27.80 ? 1003 XPE A C14 1 HETATM 3392 C C15 . XPE J 6 . ? 23.065 3.825 18.581 1.00 25.53 ? 1003 XPE A C15 1 HETATM 3393 O O16 . XPE J 6 . ? 21.866 4.366 18.235 1.00 24.09 ? 1003 XPE A O16 1 HETATM 3394 C C17 . XPE J 6 . ? 21.365 5.504 18.955 1.00 25.20 ? 1003 XPE A C17 1 HETATM 3395 C C18 . XPE J 6 . ? 22.331 6.692 19.327 1.00 24.76 ? 1003 XPE A C18 1 HETATM 3396 O O19 . XPE J 6 . ? 22.298 7.465 18.236 1.00 22.99 ? 1003 XPE A O19 1 HETATM 3397 C C20 . XPE J 6 . ? 23.602 7.428 17.440 1.00 23.22 ? 1003 XPE A C20 1 HETATM 3398 C C21 . XPE J 6 . ? 24.143 9.046 17.333 1.00 20.31 ? 1003 XPE A C21 1 HETATM 3399 O O22 . XPE J 6 . ? 19.466 4.815 11.968 1.00 27.15 ? 1003 XPE A O22 1 HETATM 3400 C C23 . XPE J 6 . ? 18.203 5.185 12.691 1.00 21.43 ? 1003 XPE A C23 1 HETATM 3401 C C24 . XPE J 6 . ? 18.042 4.100 13.631 1.00 24.09 ? 1003 XPE A C24 1 HETATM 3402 O O25 . XPE J 6 . ? 16.587 3.986 14.276 1.00 29.27 ? 1003 XPE A O25 1 HETATM 3403 C C26 . XPE J 6 . ? 15.410 4.251 13.500 1.00 22.39 ? 1003 XPE A C26 1 HETATM 3404 C C27 . XPE J 6 . ? 14.871 3.092 12.831 1.00 24.05 ? 1003 XPE A C27 1 HETATM 3405 O O28 . XPE J 6 . ? 13.293 3.079 12.971 1.00 24.67 ? 1003 XPE A O28 1 HETATM 3406 C C29 . XPE J 6 . ? 12.660 2.582 14.116 1.00 24.62 ? 1003 XPE A C29 1 HETATM 3407 C C30 . XPE J 6 . ? 11.206 1.997 14.318 1.00 25.21 ? 1003 XPE A C30 1 HETATM 3408 O O31 . XPE J 6 . ? 11.057 0.535 14.832 1.00 26.52 ? 1003 XPE A O31 1 HETATM 3409 C C1 . NAG K 2 . ? 21.607 23.645 38.827 1.00 28.59 ? 401 NAG B C1 1 HETATM 3410 C C2 . NAG K 2 . ? 20.987 24.510 39.896 1.00 31.27 ? 401 NAG B C2 1 HETATM 3411 C C3 . NAG K 2 . ? 21.930 24.528 41.075 1.00 32.58 ? 401 NAG B C3 1 HETATM 3412 C C4 . NAG K 2 . ? 22.230 23.147 41.552 1.00 33.75 ? 401 NAG B C4 1 HETATM 3413 C C5 . NAG K 2 . ? 22.849 22.330 40.419 1.00 31.01 ? 401 NAG B C5 1 HETATM 3414 C C6 . NAG K 2 . ? 22.955 20.841 40.765 1.00 31.10 ? 401 NAG B C6 1 HETATM 3415 C C7 . NAG K 2 . ? 19.749 26.450 39.022 1.00 30.91 ? 401 NAG B C7 1 HETATM 3416 C C8 . NAG K 2 . ? 19.750 27.878 38.689 1.00 32.17 ? 401 NAG B C8 1 HETATM 3417 N N2 . NAG K 2 . ? 20.848 25.923 39.476 1.00 30.84 ? 401 NAG B N2 1 HETATM 3418 O O3 . NAG K 2 . ? 21.309 25.273 42.101 1.00 36.21 ? 401 NAG B O3 1 HETATM 3419 O O4 . NAG K 2 . ? 23.080 23.225 42.710 1.00 39.45 ? 401 NAG B O4 1 HETATM 3420 O O5 . NAG K 2 . ? 22.072 22.402 39.266 1.00 27.94 ? 401 NAG B O5 1 HETATM 3421 O O6 . NAG K 2 . ? 21.625 20.245 40.883 1.00 30.38 ? 401 NAG B O6 1 HETATM 3422 O O7 . NAG K 2 . ? 18.789 25.750 38.762 1.00 33.71 ? 401 NAG B O7 1 HETATM 3423 C C1 . FUC L 3 . ? 21.488 19.543 42.159 1.00 29.33 ? 402 FUC B C1 1 HETATM 3424 C C2 . FUC L 3 . ? 20.016 19.099 42.281 1.00 28.46 ? 402 FUC B C2 1 HETATM 3425 C C3 . FUC L 3 . ? 19.648 18.149 41.117 1.00 26.60 ? 402 FUC B C3 1 HETATM 3426 C C4 . FUC L 3 . ? 20.634 16.990 41.120 1.00 26.14 ? 402 FUC B C4 1 HETATM 3427 C C5 . FUC L 3 . ? 22.059 17.557 40.928 1.00 26.65 ? 402 FUC B C5 1 HETATM 3428 C C6 . FUC L 3 . ? 23.157 16.501 40.738 1.00 26.29 ? 402 FUC B C6 1 HETATM 3429 O O2 . FUC L 3 . ? 19.083 20.185 42.187 1.00 26.81 ? 402 FUC B O2 1 HETATM 3430 O O3 . FUC L 3 . ? 18.294 17.863 41.363 1.00 26.16 ? 402 FUC B O3 1 HETATM 3431 O O4 . FUC L 3 . ? 20.563 16.312 42.373 1.00 24.94 ? 402 FUC B O4 1 HETATM 3432 O O5 . FUC L 3 . ? 22.360 18.398 42.081 1.00 28.72 ? 402 FUC B O5 1 HETATM 3433 C C1 . NAG M 2 . ? 22.483 23.016 44.005 1.00 43.82 ? 403 NAG B C1 1 HETATM 3434 C C2 . NAG M 2 . ? 23.600 22.504 44.921 1.00 44.60 ? 403 NAG B C2 1 HETATM 3435 C C3 . NAG M 2 . ? 23.228 22.480 46.425 1.00 47.27 ? 403 NAG B C3 1 HETATM 3436 C C4 . NAG M 2 . ? 22.855 23.838 46.977 1.00 49.71 ? 403 NAG B C4 1 HETATM 3437 C C5 . NAG M 2 . ? 21.802 24.452 45.994 1.00 49.70 ? 403 NAG B C5 1 HETATM 3438 C C6 . NAG M 2 . ? 21.964 25.963 46.108 1.00 49.44 ? 403 NAG B C6 1 HETATM 3439 C C7 . NAG M 2 . ? 25.129 20.929 43.754 1.00 39.71 ? 403 NAG B C7 1 HETATM 3440 C C8 . NAG M 2 . ? 25.504 19.526 43.413 1.00 37.63 ? 403 NAG B C8 1 HETATM 3441 N N2 . NAG M 2 . ? 24.020 21.156 44.488 1.00 42.57 ? 403 NAG B N2 1 HETATM 3442 O O3 . NAG M 2 . ? 24.348 22.089 47.218 1.00 48.16 ? 403 NAG B O3 1 HETATM 3443 O O4 . NAG M 2 . ? 22.515 23.816 48.442 1.00 53.47 ? 403 NAG B O4 1 HETATM 3444 O O5 . NAG M 2 . ? 21.851 24.204 44.520 1.00 47.04 ? 403 NAG B O5 1 HETATM 3445 O O6 . NAG M 2 . ? 20.861 26.414 45.358 1.00 49.65 ? 403 NAG B O6 1 HETATM 3446 O O7 . NAG M 2 . ? 25.807 21.871 43.393 1.00 41.30 ? 403 NAG B O7 1 HETATM 3447 C C1 . NAG N 2 . ? 36.841 -7.579 29.872 1.00 49.33 ? 411 NAG B C1 1 HETATM 3448 C C2 . NAG N 2 . ? 38.128 -8.392 30.139 1.00 54.47 ? 411 NAG B C2 1 HETATM 3449 C C3 . NAG N 2 . ? 39.464 -7.601 29.980 1.00 55.84 ? 411 NAG B C3 1 HETATM 3450 C C4 . NAG N 2 . ? 39.525 -6.916 28.576 1.00 55.00 ? 411 NAG B C4 1 HETATM 3451 C C5 . NAG N 2 . ? 38.167 -6.144 28.476 1.00 55.17 ? 411 NAG B C5 1 HETATM 3452 C C6 . NAG N 2 . ? 38.052 -5.416 27.183 1.00 53.88 ? 411 NAG B C6 1 HETATM 3453 C C7 . NAG N 2 . ? 37.719 -10.045 31.937 1.00 57.92 ? 411 NAG B C7 1 HETATM 3454 C C8 . NAG N 2 . ? 37.530 -11.264 31.045 1.00 57.13 ? 411 NAG B C8 1 HETATM 3455 N N2 . NAG N 2 . ? 37.990 -8.805 31.502 1.00 56.34 ? 411 NAG B N2 1 HETATM 3456 O O3 . NAG N 2 . ? 40.576 -8.485 30.293 1.00 57.01 ? 411 NAG B O3 1 HETATM 3457 O O4 . NAG N 2 . ? 40.652 -6.010 28.283 1.00 52.59 ? 411 NAG B O4 1 HETATM 3458 O O5 . NAG N 2 . ? 36.963 -6.965 28.584 1.00 51.18 ? 411 NAG B O5 1 HETATM 3459 O O6 . NAG N 2 . ? 37.872 -6.473 26.259 1.00 57.33 ? 411 NAG B O6 1 HETATM 3460 O O7 . NAG N 2 . ? 37.657 -10.130 33.134 1.00 59.13 ? 411 NAG B O7 1 HETATM 3461 C C1 . FUC O 3 . ? 38.190 -5.932 24.954 1.00 64.27 ? 412 FUC B C1 1 HETATM 3462 C C2 . FUC O 3 . ? 38.563 -7.061 23.971 1.00 67.37 ? 412 FUC B C2 1 HETATM 3463 C C3 . FUC O 3 . ? 37.328 -7.954 23.819 1.00 69.06 ? 412 FUC B C3 1 HETATM 3464 C C4 . FUC O 3 . ? 36.237 -7.035 23.218 1.00 67.80 ? 412 FUC B C4 1 HETATM 3465 C C5 . FUC O 3 . ? 35.865 -5.871 24.146 1.00 64.38 ? 412 FUC B C5 1 HETATM 3466 C C6 . FUC O 3 . ? 34.827 -4.942 23.506 1.00 58.36 ? 412 FUC B C6 1 HETATM 3467 O O2 . FUC O 3 . ? 39.654 -7.836 24.435 1.00 72.05 ? 412 FUC B O2 1 HETATM 3468 O O3 . FUC O 3 . ? 37.664 -9.167 23.109 1.00 69.61 ? 412 FUC B O3 1 HETATM 3469 O O4 . FUC O 3 . ? 36.687 -6.368 22.026 1.00 70.26 ? 412 FUC B O4 1 HETATM 3470 O O5 . FUC O 3 . ? 37.070 -5.145 24.492 1.00 64.25 ? 412 FUC B O5 1 HETATM 3471 C C28 . JJV P 4 . ? 12.831 7.095 16.248 1.00 15.06 ? 1001 JJV B C28 1 HETATM 3472 S S26 . JJV P 4 . ? 12.688 5.873 17.159 1.00 15.77 ? 1001 JJV B S26 1 HETATM 3473 O O27 . JJV P 4 . ? 11.560 4.963 17.262 1.00 16.01 ? 1001 JJV B O27 1 HETATM 3474 O O29 . JJV P 4 . ? 13.776 4.790 16.677 1.00 18.88 ? 1001 JJV B O29 1 HETATM 3475 C C4 . JJV P 4 . ? 13.150 6.193 18.887 1.00 15.27 ? 1001 JJV B C4 1 HETATM 3476 C C2 . JJV P 4 . ? 12.403 5.561 19.945 1.00 14.86 ? 1001 JJV B C2 1 HETATM 3477 C C1 . JJV P 4 . ? 12.757 5.803 21.252 1.00 15.07 ? 1001 JJV B C1 1 HETATM 3478 C C31 . JJV P 4 . ? 12.013 5.175 22.339 1.00 15.81 ? 1001 JJV B C31 1 HETATM 3479 N N30 . JJV P 4 . ? 11.448 4.699 23.179 1.00 15.30 ? 1001 JJV B N30 1 HETATM 3480 C C3 . JJV P 4 . ? 13.798 6.641 21.518 1.00 14.69 ? 1001 JJV B C3 1 HETATM 3481 C C5 . JJV P 4 . ? 14.491 7.304 20.523 1.00 15.06 ? 1001 JJV B C5 1 HETATM 3482 C C6 . JJV P 4 . ? 14.171 7.116 19.171 1.00 14.85 ? 1001 JJV B C6 1 HETATM 3483 C C22 . JJV P 4 . ? 14.992 7.937 18.090 1.00 14.79 ? 1001 JJV B C22 1 HETATM 3484 C C9 . JJV P 4 . ? 16.485 7.888 18.196 1.00 14.64 ? 1001 JJV B C9 1 HETATM 3485 C C11 . JJV P 4 . ? 17.202 8.929 18.727 1.00 14.16 ? 1001 JJV B C11 1 HETATM 3486 C C25 . JJV P 4 . ? 18.686 8.775 18.984 1.00 14.24 ? 1001 JJV B C25 1 HETATM 3487 C C24 . JJV P 4 . ? 17.061 6.638 17.840 1.00 15.13 ? 1001 JJV B C24 1 HETATM 3488 N N32 . JJV P 4 . ? 17.527 5.653 17.558 1.00 15.58 ? 1001 JJV B N32 1 HETATM 3489 N N7 . JJV P 4 . ? 14.468 9.308 18.358 1.00 14.35 ? 1001 JJV B N7 1 HETATM 3490 C C8 . JJV P 4 . ? 15.241 10.283 18.936 1.00 14.07 ? 1001 JJV B C8 1 HETATM 3491 O O23 . JJV P 4 . ? 14.755 11.371 19.249 1.00 13.56 ? 1001 JJV B O23 1 HETATM 3492 N N10 . JJV P 4 . ? 16.574 10.069 19.177 1.00 14.29 ? 1001 JJV B N10 1 HETATM 3493 C C12 . JJV P 4 . ? 17.251 11.083 19.866 1.00 14.11 ? 1001 JJV B C12 1 HETATM 3494 C C13 . JJV P 4 . ? 17.388 10.910 21.230 1.00 14.74 ? 1001 JJV B C13 1 HETATM 3495 C C14 . JJV P 4 . ? 17.738 12.227 19.311 1.00 14.62 ? 1001 JJV B C14 1 HETATM 3496 C C16 . JJV P 4 . ? 18.343 13.206 20.132 1.00 15.36 ? 1001 JJV B C16 1 HETATM 3497 C C17 . JJV P 4 . ? 18.523 12.997 21.490 1.00 15.36 ? 1001 JJV B C17 1 HETATM 3498 C C15 . JJV P 4 . ? 17.960 11.840 22.089 1.00 15.17 ? 1001 JJV B C15 1 HETATM 3499 C C18 . JJV P 4 . ? 18.078 11.600 23.601 1.00 15.60 ? 1001 JJV B C18 1 HETATM 3500 F F20 . JJV P 4 . ? 19.207 12.162 24.144 1.00 15.53 ? 1001 JJV B F20 1 HETATM 3501 F F21 . JJV P 4 . ? 17.096 12.221 24.177 1.00 16.24 ? 1001 JJV B F21 1 HETATM 3502 F F19 . JJV P 4 . ? 18.017 10.311 23.986 1.00 15.93 ? 1001 JJV B F19 1 HETATM 3503 O O1 . MES Q 5 . ? 11.803 10.033 17.624 1.00 23.57 ? 1002 MES B O1 1 HETATM 3504 C C2 . MES Q 5 . ? 11.752 11.450 17.427 1.00 24.00 ? 1002 MES B C2 1 HETATM 3505 C C3 . MES Q 5 . ? 10.534 12.059 18.118 1.00 23.24 ? 1002 MES B C3 1 HETATM 3506 N N4 . MES Q 5 . ? 9.341 11.398 17.621 1.00 23.53 ? 1002 MES B N4 1 HETATM 3507 C C5 . MES Q 5 . ? 9.423 9.995 18.025 1.00 23.27 ? 1002 MES B C5 1 HETATM 3508 C C6 . MES Q 5 . ? 10.654 9.376 17.227 1.00 23.21 ? 1002 MES B C6 1 HETATM 3509 C C7 . MES Q 5 . ? 8.058 12.005 18.052 1.00 24.00 ? 1002 MES B C7 1 HETATM 3510 C C8 . MES Q 5 . ? 8.022 12.235 19.574 1.00 24.86 ? 1002 MES B C8 1 HETATM 3511 S S . MES Q 5 . ? 6.357 12.739 20.166 1.00 25.45 ? 1002 MES B S 1 HETATM 3512 O O1S . MES Q 5 . ? 5.617 11.557 19.696 1.00 25.28 ? 1002 MES B O1S 1 HETATM 3513 O O2S . MES Q 5 . ? 6.070 14.137 19.611 1.00 25.56 ? 1002 MES B O2S 1 HETATM 3514 O O3S . MES Q 5 . ? 6.440 12.779 21.603 1.00 25.20 ? 1002 MES B O3S 1 HETATM 3515 O O . HOH R 7 . ? 7.204 5.518 6.067 1.00 20.44 ? 2001 HOH A O 1 HETATM 3516 O O . HOH R 7 . ? 3.304 8.549 4.987 1.00 17.87 ? 2002 HOH A O 1 HETATM 3517 O O . HOH R 7 . ? 1.851 11.032 8.467 1.00 18.11 ? 2003 HOH A O 1 HETATM 3518 O O . HOH R 7 . ? 1.583 12.502 0.478 1.00 22.75 ? 2004 HOH A O 1 HETATM 3519 O O . HOH R 7 . ? -0.060 10.875 5.232 1.00 27.36 ? 2005 HOH A O 1 HETATM 3520 O O . HOH R 7 . ? -1.814 9.548 2.325 1.00 21.06 ? 2006 HOH A O 1 HETATM 3521 O O . HOH R 7 . ? 1.553 6.151 -4.547 1.00 24.47 ? 2007 HOH A O 1 HETATM 3522 O O . HOH R 7 . ? 3.109 13.538 -1.658 1.00 20.28 ? 2008 HOH A O 1 HETATM 3523 O O . HOH R 7 . ? -1.427 3.953 -3.668 1.00 39.20 ? 2009 HOH A O 1 HETATM 3524 O O . HOH R 7 . ? -0.001 -0.332 -1.866 1.00 35.28 ? 2010 HOH A O 1 HETATM 3525 O O . HOH R 7 . ? 3.379 4.565 -6.031 1.00 19.60 ? 2011 HOH A O 1 HETATM 3526 O O . HOH R 7 . ? 6.388 3.118 -10.719 1.00 41.86 ? 2012 HOH A O 1 HETATM 3527 O O . HOH R 7 . ? 2.080 -3.258 -8.141 1.00 48.43 ? 2013 HOH A O 1 HETATM 3528 O O . HOH R 7 . ? 9.914 -3.971 -5.293 1.00 22.47 ? 2014 HOH A O 1 HETATM 3529 O O . HOH R 7 . ? 3.124 -8.179 -5.475 1.00 57.00 ? 2015 HOH A O 1 HETATM 3530 O O . HOH R 7 . ? 8.834 -0.584 -4.406 1.00 23.39 ? 2016 HOH A O 1 HETATM 3531 O O . HOH R 7 . ? 10.108 2.832 -10.806 1.00 35.56 ? 2017 HOH A O 1 HETATM 3532 O O . HOH R 7 . ? 10.826 -2.625 -3.265 1.00 23.39 ? 2018 HOH A O 1 HETATM 3533 O O . HOH R 7 . ? 14.206 -4.025 -4.230 1.00 26.20 ? 2019 HOH A O 1 HETATM 3534 O O . HOH R 7 . ? 12.959 -4.212 -0.726 1.00 18.50 ? 2020 HOH A O 1 HETATM 3535 O O . HOH R 7 . ? 11.000 -6.046 8.899 1.00 46.34 ? 2021 HOH A O 1 HETATM 3536 O O . HOH R 7 . ? 12.889 -6.852 14.849 1.00 47.72 ? 2022 HOH A O 1 HETATM 3537 O O . HOH R 7 . ? 21.854 -5.726 18.047 1.00 29.91 ? 2023 HOH A O 1 HETATM 3538 O O . HOH R 7 . ? 24.684 -8.224 19.177 1.00 34.78 ? 2024 HOH A O 1 HETATM 3539 O O . HOH R 7 . ? 31.052 -2.608 15.242 1.00 52.93 ? 2025 HOH A O 1 HETATM 3540 O O . HOH R 7 . ? 13.174 3.169 4.637 1.00 16.84 ? 2026 HOH A O 1 HETATM 3541 O O . HOH R 7 . ? 20.024 4.803 -0.894 1.00 20.40 ? 2027 HOH A O 1 HETATM 3542 O O . HOH R 7 . ? 23.184 2.321 -10.357 1.00 26.07 ? 2028 HOH A O 1 HETATM 3543 O O . HOH R 7 . ? 25.019 -1.004 -11.989 1.00 38.04 ? 2029 HOH A O 1 HETATM 3544 O O . HOH R 7 . ? 28.507 -4.962 -10.394 1.00 42.71 ? 2030 HOH A O 1 HETATM 3545 O O . HOH R 7 . ? 31.714 -6.285 -8.711 1.00 46.18 ? 2031 HOH A O 1 HETATM 3546 O O . HOH R 7 . ? 28.365 8.433 14.833 1.00 46.46 ? 2032 HOH A O 1 HETATM 3547 O O . HOH R 7 . ? 25.443 18.732 14.420 1.00 17.85 ? 2033 HOH A O 1 HETATM 3548 O O . HOH R 7 . ? 29.283 4.377 8.717 1.00 24.65 ? 2034 HOH A O 1 HETATM 3549 O O . HOH R 7 . ? 24.345 6.459 13.258 1.00 19.74 ? 2035 HOH A O 1 HETATM 3550 O O . HOH R 7 . ? 24.955 2.890 13.074 1.00 38.90 ? 2036 HOH A O 1 HETATM 3551 O O . HOH R 7 . ? 29.874 -1.055 13.110 1.00 30.17 ? 2037 HOH A O 1 HETATM 3552 O O . HOH R 7 . ? 31.241 4.374 17.334 1.00 34.24 ? 2038 HOH A O 1 HETATM 3553 O O . HOH R 7 . ? 24.820 4.767 15.479 1.00 29.45 ? 2039 HOH A O 1 HETATM 3554 O O . HOH R 7 . ? 30.349 -4.767 12.125 1.00 33.89 ? 2040 HOH A O 1 HETATM 3555 O O . HOH R 7 . ? 19.891 -4.570 -14.496 1.00 39.15 ? 2041 HOH A O 1 HETATM 3556 O O . HOH R 7 . ? 24.791 -8.120 15.598 1.00 38.18 ? 2042 HOH A O 1 HETATM 3557 O O . HOH R 7 . ? 25.346 -9.288 6.762 1.00 26.62 ? 2043 HOH A O 1 HETATM 3558 O O . HOH R 7 . ? 24.362 12.955 -17.804 1.00 54.65 ? 2044 HOH A O 1 HETATM 3559 O O . HOH R 7 . ? 27.941 -11.192 6.450 1.00 41.77 ? 2045 HOH A O 1 HETATM 3560 O O . HOH R 7 . ? 6.795 8.005 16.896 1.00 19.54 ? 2046 HOH A O 1 HETATM 3561 O O . HOH R 7 . ? -0.469 2.183 12.521 1.00 39.88 ? 2047 HOH A O 1 HETATM 3562 O O . HOH R 7 . ? 7.953 -10.178 6.793 1.00 48.84 ? 2048 HOH A O 1 HETATM 3563 O O . HOH R 7 . ? 2.678 17.638 -3.771 1.00 31.61 ? 2049 HOH A O 1 HETATM 3564 O O . HOH R 7 . ? 0.199 -5.547 1.532 1.00 51.14 ? 2050 HOH A O 1 HETATM 3565 O O . HOH R 7 . ? 28.604 24.283 4.599 1.00 40.11 ? 2051 HOH A O 1 HETATM 3566 O O . HOH R 7 . ? 30.486 28.172 7.025 1.00 55.58 ? 2052 HOH A O 1 HETATM 3567 O O . HOH R 7 . ? 29.752 26.259 1.000 1.00 52.71 ? 2053 HOH A O 1 HETATM 3568 O O . HOH R 7 . ? 12.106 -11.238 -6.388 1.00 40.02 ? 2054 HOH A O 1 HETATM 3569 O O . HOH R 7 . ? 12.924 -14.584 -4.787 1.00 63.38 ? 2055 HOH A O 1 HETATM 3570 O O . HOH R 7 . ? 18.241 -14.340 -5.683 1.00 42.83 ? 2056 HOH A O 1 HETATM 3571 O O . HOH R 7 . ? 16.316 -14.871 -1.000 1.00 42.57 ? 2057 HOH A O 1 HETATM 3572 O O . HOH R 7 . ? 34.308 -13.333 -2.393 1.00 58.33 ? 2058 HOH A O 1 HETATM 3573 O O . HOH R 7 . ? 38.848 -1.509 3.703 1.00 49.51 ? 2059 HOH A O 1 HETATM 3574 O O . HOH R 7 . ? 33.925 -4.393 5.059 1.00 36.12 ? 2060 HOH A O 1 HETATM 3575 O O . HOH R 7 . ? 35.498 3.147 -0.475 1.00 22.68 ? 2061 HOH A O 1 HETATM 3576 O O . HOH R 7 . ? 31.187 7.514 4.057 1.00 24.32 ? 2062 HOH A O 1 HETATM 3577 O O . HOH R 7 . ? 33.881 11.116 -3.505 1.00 25.82 ? 2063 HOH A O 1 HETATM 3578 O O . HOH R 7 . ? 34.912 14.903 4.631 1.00 34.62 ? 2064 HOH A O 1 HETATM 3579 O O . HOH R 7 . ? 35.586 11.655 8.898 1.00 41.37 ? 2065 HOH A O 1 HETATM 3580 O O . HOH R 7 . ? 26.643 8.139 12.797 1.00 16.01 ? 2066 HOH A O 1 HETATM 3581 O O . HOH R 7 . ? 32.491 13.581 12.793 1.00 20.84 ? 2067 HOH A O 1 HETATM 3582 O O . HOH R 7 . ? 35.744 15.220 7.023 1.00 26.63 ? 2068 HOH A O 1 HETATM 3583 O O . HOH R 7 . ? 26.036 16.082 13.612 1.00 18.37 ? 2069 HOH A O 1 HETATM 3584 O O . HOH R 7 . ? 28.887 21.390 14.023 1.00 39.99 ? 2070 HOH A O 1 HETATM 3585 O O . HOH R 7 . ? 27.734 20.561 11.581 1.00 23.73 ? 2071 HOH A O 1 HETATM 3586 O O . HOH R 7 . ? 29.576 20.839 7.069 1.00 24.49 ? 2072 HOH A O 1 HETATM 3587 O O . HOH R 7 . ? 31.402 21.986 9.686 1.00 42.02 ? 2073 HOH A O 1 HETATM 3588 O O . HOH R 7 . ? 31.914 21.031 13.700 1.00 35.53 ? 2074 HOH A O 1 HETATM 3589 O O . HOH R 7 . ? 24.663 14.721 5.099 1.00 14.33 ? 2075 HOH A O 1 HETATM 3590 O O . HOH R 7 . ? 26.358 18.743 4.803 1.00 18.55 ? 2076 HOH A O 1 HETATM 3591 O O . HOH R 7 . ? 26.190 13.654 3.044 1.00 15.89 ? 2077 HOH A O 1 HETATM 3592 O O . HOH R 7 . ? 28.084 15.639 1.964 1.00 17.73 ? 2078 HOH A O 1 HETATM 3593 O O . HOH R 7 . ? 34.563 -5.435 -4.429 1.00 35.76 ? 2079 HOH A O 1 HETATM 3594 O O . HOH R 7 . ? 27.444 -12.165 -7.405 1.00 54.73 ? 2080 HOH A O 1 HETATM 3595 O O . HOH R 7 . ? 26.813 -13.399 -10.377 1.00 56.05 ? 2081 HOH A O 1 HETATM 3596 O O . HOH R 7 . ? 22.160 -10.538 -11.618 1.00 47.35 ? 2082 HOH A O 1 HETATM 3597 O O . HOH R 7 . ? 16.157 -13.066 -14.470 1.00 54.59 ? 2083 HOH A O 1 HETATM 3598 O O . HOH R 7 . ? 4.942 -11.850 -7.608 1.00 46.25 ? 2084 HOH A O 1 HETATM 3599 O O . HOH R 7 . ? 17.615 -3.667 -13.393 1.00 31.32 ? 2085 HOH A O 1 HETATM 3600 O O . HOH R 7 . ? 16.557 5.116 -10.826 1.00 27.70 ? 2086 HOH A O 1 HETATM 3601 O O . HOH R 7 . ? 19.546 7.250 -16.875 1.00 34.53 ? 2087 HOH A O 1 HETATM 3602 O O . HOH R 7 . ? 23.238 5.275 -13.699 1.00 22.90 ? 2088 HOH A O 1 HETATM 3603 O O . HOH R 7 . ? 26.108 7.954 -12.932 1.00 27.29 ? 2089 HOH A O 1 HETATM 3604 O O . HOH R 7 . ? 22.670 13.567 -14.556 1.00 29.55 ? 2090 HOH A O 1 HETATM 3605 O O . HOH R 7 . ? 29.550 10.822 -14.226 1.00 22.74 ? 2091 HOH A O 1 HETATM 3606 O O . HOH R 7 . ? 32.967 10.885 -6.333 1.00 23.97 ? 2092 HOH A O 1 HETATM 3607 O O . HOH R 7 . ? 34.929 13.191 -7.956 1.00 33.37 ? 2093 HOH A O 1 HETATM 3608 O O . HOH R 7 . ? 31.944 16.617 -9.238 1.00 42.78 ? 2094 HOH A O 1 HETATM 3609 O O . HOH R 7 . ? 34.153 15.625 -10.261 1.00 31.44 ? 2095 HOH A O 1 HETATM 3610 O O . HOH R 7 . ? 28.478 21.453 -8.919 1.00 59.21 ? 2096 HOH A O 1 HETATM 3611 O O . HOH R 7 . ? 24.552 21.054 -12.745 1.00 40.46 ? 2097 HOH A O 1 HETATM 3612 O O . HOH R 7 . ? 23.081 22.606 -4.167 1.00 33.82 ? 2098 HOH A O 1 HETATM 3613 O O . HOH R 7 . ? 23.332 19.939 -3.889 1.00 33.41 ? 2099 HOH A O 1 HETATM 3614 O O . HOH R 7 . ? 21.791 19.129 -6.296 1.00 31.57 ? 2100 HOH A O 1 HETATM 3615 O O . HOH R 7 . ? 21.352 24.186 -6.910 1.00 45.61 ? 2101 HOH A O 1 HETATM 3616 O O . HOH R 7 . ? 20.320 20.902 -4.778 1.00 25.22 ? 2102 HOH A O 1 HETATM 3617 O O . HOH R 7 . ? 13.438 24.252 -11.105 1.00 44.50 ? 2103 HOH A O 1 HETATM 3618 O O . HOH R 7 . ? 15.406 27.753 -1.619 1.00 32.41 ? 2104 HOH A O 1 HETATM 3619 O O . HOH R 7 . ? 8.713 23.952 -8.144 1.00 48.56 ? 2105 HOH A O 1 HETATM 3620 O O . HOH R 7 . ? 10.752 19.353 -11.531 1.00 34.48 ? 2106 HOH A O 1 HETATM 3621 O O . HOH R 7 . ? 4.068 18.028 -10.668 1.00 50.68 ? 2107 HOH A O 1 HETATM 3622 O O . HOH R 7 . ? 7.349 16.461 -6.261 1.00 30.12 ? 2108 HOH A O 1 HETATM 3623 O O . HOH R 7 . ? 13.660 9.067 0.898 1.00 18.91 ? 2109 HOH A O 1 HETATM 3624 O O . HOH R 7 . ? 5.326 7.574 14.581 1.00 31.13 ? 2110 HOH A O 1 HETATM 3625 O O . HOH R 7 . ? 7.279 9.887 14.402 1.00 28.33 ? 2111 HOH A O 1 HETATM 3626 O O . HOH R 7 . ? 6.755 13.455 14.919 1.00 29.15 ? 2112 HOH A O 1 HETATM 3627 O O . HOH R 7 . ? 1.467 11.959 23.292 1.00 43.08 ? 2113 HOH A O 1 HETATM 3628 O O . HOH R 7 . ? 4.866 9.190 18.407 1.00 17.68 ? 2114 HOH A O 1 HETATM 3629 O O . HOH R 7 . ? -0.270 7.756 21.245 1.00 44.99 ? 2115 HOH A O 1 HETATM 3630 O O . HOH R 7 . ? 2.726 6.151 17.307 1.00 32.92 ? 2116 HOH A O 1 HETATM 3631 O O . HOH R 7 . ? 0.747 13.246 9.230 1.00 29.12 ? 2117 HOH A O 1 HETATM 3632 O O . HOH R 7 . ? 2.079 1.554 13.569 1.00 36.94 ? 2118 HOH A O 1 HETATM 3633 O O . HOH R 7 . ? 2.808 -0.728 10.880 1.00 41.61 ? 2119 HOH A O 1 HETATM 3634 O O . HOH R 7 . ? -0.273 6.111 4.066 1.00 24.73 ? 2120 HOH A O 1 HETATM 3635 O O . HOH R 7 . ? 3.827 16.424 -1.222 1.00 35.61 ? 2121 HOH A O 1 HETATM 3636 O O . HOH R 7 . ? 19.714 21.521 -2.220 1.00 16.92 ? 2122 HOH A O 1 HETATM 3637 O O . HOH R 7 . ? 21.760 29.240 -1.272 1.00 50.52 ? 2123 HOH A O 1 HETATM 3638 O O . HOH R 7 . ? 16.444 30.079 -2.868 1.00 48.67 ? 2124 HOH A O 1 HETATM 3639 O O . HOH R 7 . ? 18.857 29.561 -1.870 1.00 44.92 ? 2125 HOH A O 1 HETATM 3640 O O . HOH R 7 . ? 14.472 25.871 2.572 1.00 34.02 ? 2126 HOH A O 1 HETATM 3641 O O . HOH R 7 . ? 18.037 24.043 7.438 1.00 27.52 ? 2127 HOH A O 1 HETATM 3642 O O . HOH R 7 . ? 22.102 22.509 -1.530 1.00 20.43 ? 2128 HOH A O 1 HETATM 3643 O O . HOH R 7 . ? 22.788 20.982 4.854 1.00 15.75 ? 2129 HOH A O 1 HETATM 3644 O O . HOH R 7 . ? 27.849 24.726 7.754 1.00 34.76 ? 2130 HOH A O 1 HETATM 3645 O O . HOH R 7 . ? 27.383 25.513 1.994 1.00 37.86 ? 2131 HOH A O 1 HETATM 3646 O O . HOH R 7 . ? 29.363 21.571 4.320 1.00 25.31 ? 2132 HOH A O 1 HETATM 3647 O O . HOH R 7 . ? 11.126 16.836 2.342 1.00 17.59 ? 2133 HOH A O 1 HETATM 3648 O O . HOH R 7 . ? 9.686 18.621 3.946 1.00 22.29 ? 2134 HOH A O 1 HETATM 3649 O O . HOH R 7 . ? 6.822 23.874 4.989 1.00 33.51 ? 2135 HOH A O 1 HETATM 3650 O O . HOH R 7 . ? 7.055 20.631 5.542 1.00 26.81 ? 2136 HOH A O 1 HETATM 3651 O O . HOH R 7 . ? 10.268 26.586 -0.529 1.00 42.70 ? 2137 HOH A O 1 HETATM 3652 O O . HOH R 7 . ? 4.780 24.190 6.569 1.00 50.77 ? 2138 HOH A O 1 HETATM 3653 O O . HOH R 7 . ? 1.784 19.065 -0.804 1.00 22.55 ? 2139 HOH A O 1 HETATM 3654 O O . HOH R 7 . ? 2.082 15.780 9.687 1.00 23.32 ? 2140 HOH A O 1 HETATM 3655 O O . HOH R 7 . ? 5.260 24.228 10.529 1.00 41.71 ? 2141 HOH A O 1 HETATM 3656 O O . HOH R 7 . ? 8.820 19.786 7.098 1.00 19.22 ? 2142 HOH A O 1 HETATM 3657 O O . HOH R 7 . ? 11.032 15.603 7.924 1.00 15.78 ? 2143 HOH A O 1 HETATM 3658 O O . HOH R 7 . ? 9.066 11.999 15.036 1.00 17.64 ? 2144 HOH A O 1 HETATM 3659 O O . HOH R 7 . ? 16.451 6.470 11.146 1.00 14.40 ? 2145 HOH A O 1 HETATM 3660 O O . HOH R 7 . ? 12.278 10.908 -15.683 1.00 52.66 ? 2146 HOH A O 1 HETATM 3661 O O . HOH R 7 . ? 16.739 11.440 -16.226 1.00 47.80 ? 2147 HOH A O 1 HETATM 3662 O O . HOH R 7 . ? 23.010 14.592 -6.058 1.00 26.63 ? 2148 HOH A O 1 HETATM 3663 O O . HOH R 7 . ? 17.902 18.860 7.649 1.00 20.21 ? 2149 HOH A O 1 HETATM 3664 O O . HOH R 7 . ? 16.235 17.250 14.055 1.00 15.49 ? 2150 HOH A O 1 HETATM 3665 O O . HOH R 7 . ? 14.061 18.539 8.177 1.00 14.53 ? 2151 HOH A O 1 HETATM 3666 O O . HOH R 7 . ? 11.853 19.040 9.498 1.00 15.86 ? 2152 HOH A O 1 HETATM 3667 O O . HOH R 7 . ? 17.876 24.673 14.222 1.00 33.77 ? 2153 HOH A O 1 HETATM 3668 O O . HOH R 7 . ? 18.807 28.767 9.521 1.00 37.21 ? 2154 HOH A O 1 HETATM 3669 O O . HOH R 7 . ? 9.384 18.011 14.208 1.00 16.17 ? 2155 HOH A O 1 HETATM 3670 O O . HOH R 7 . ? 10.660 14.441 15.332 1.00 14.29 ? 2156 HOH A O 1 HETATM 3671 O O . HOH R 7 . ? 6.272 14.660 12.622 1.00 24.74 ? 2157 HOH A O 1 HETATM 3672 O O . HOH R 7 . ? 11.342 19.002 6.028 1.00 14.53 ? 2158 HOH A O 1 HETATM 3673 O O . HOH R 7 . ? 24.929 18.008 -5.317 1.00 38.57 ? 2159 HOH A O 1 HETATM 3674 O O . HOH R 7 . ? 29.955 16.774 0.230 1.00 26.08 ? 2160 HOH A O 1 HETATM 3675 O O . HOH R 7 . ? 32.393 11.442 -14.046 1.00 27.57 ? 2161 HOH A O 1 HETATM 3676 O O . HOH R 7 . ? 34.625 14.384 -12.292 1.00 23.96 ? 2162 HOH A O 1 HETATM 3677 O O . HOH R 7 . ? 36.918 11.891 -7.927 1.00 23.46 ? 2163 HOH A O 1 HETATM 3678 O O . HOH R 7 . ? 27.068 5.605 -11.942 1.00 34.91 ? 2164 HOH A O 1 HETATM 3679 O O . HOH R 7 . ? 27.528 -0.871 -12.803 1.00 52.15 ? 2165 HOH A O 1 HETATM 3680 O O . HOH R 7 . ? 30.164 0.028 -16.021 1.00 57.60 ? 2166 HOH A O 1 HETATM 3681 O O . HOH R 7 . ? 4.462 18.580 -5.627 1.00 34.92 ? 2167 HOH A O 1 HETATM 3682 O O . HOH R 7 . ? 7.934 11.121 -14.330 1.00 34.79 ? 2168 HOH A O 1 HETATM 3683 O O . HOH R 7 . ? 16.410 14.274 14.196 1.00 28.32 ? 2169 HOH A O 1 HETATM 3684 O O . HOH R 7 . ? 19.337 22.649 14.171 1.00 24.00 ? 3001 HOH A O 1 HETATM 3685 O O . HOH R 7 . ? 6.787 15.196 17.010 1.00 22.94 ? 3002 HOH A O 1 HETATM 3686 O O . HOH R 7 . ? 4.679 -18.808 -2.220 1.00 53.33 ? 3004 HOH A O 1 HETATM 3687 O O . HOH R 7 . ? 3.811 33.272 8.107 1.00 65.58 ? 3005 HOH A O 1 HETATM 3688 O O . HOH S 7 . ? 27.374 17.092 25.156 1.00 17.83 ? 2001 HOH B O 1 HETATM 3689 O O . HOH S 7 . ? 26.583 22.093 26.242 1.00 25.35 ? 2002 HOH B O 1 HETATM 3690 O O . HOH S 7 . ? 25.377 24.555 22.807 1.00 21.60 ? 2003 HOH B O 1 HETATM 3691 O O . HOH S 7 . ? 24.086 25.540 30.819 1.00 23.23 ? 2004 HOH B O 1 HETATM 3692 O O . HOH S 7 . ? 26.524 25.975 26.031 1.00 30.04 ? 2005 HOH B O 1 HETATM 3693 O O . HOH S 7 . ? 22.529 24.739 32.858 1.00 22.78 ? 2006 HOH B O 1 HETATM 3694 O O . HOH S 7 . ? 38.205 20.188 25.286 1.00 51.05 ? 2007 HOH B O 1 HETATM 3695 O O . HOH S 7 . ? 30.101 20.056 37.330 1.00 20.88 ? 2008 HOH B O 1 HETATM 3696 O O . HOH S 7 . ? 33.809 13.466 34.156 1.00 20.69 ? 2009 HOH B O 1 HETATM 3697 O O . HOH S 7 . ? 34.226 10.166 36.577 1.00 26.71 ? 2010 HOH B O 1 HETATM 3698 O O . HOH S 7 . ? 31.859 12.708 35.638 1.00 22.61 ? 2011 HOH B O 1 HETATM 3699 O O . HOH S 7 . ? 28.422 13.335 41.898 1.00 38.15 ? 2012 HOH B O 1 HETATM 3700 O O . HOH S 7 . ? 32.511 9.906 34.623 1.00 26.78 ? 2013 HOH B O 1 HETATM 3701 O O . HOH S 7 . ? 32.151 6.369 35.483 1.00 30.46 ? 2014 HOH B O 1 HETATM 3702 O O . HOH S 7 . ? 32.622 11.688 20.690 1.00 33.41 ? 2015 HOH B O 1 HETATM 3703 O O . HOH S 7 . ? 34.427 12.816 19.620 1.00 41.68 ? 2016 HOH B O 1 HETATM 3704 O O . HOH S 7 . ? 32.888 7.334 31.976 1.00 16.63 ? 2017 HOH B O 1 HETATM 3705 O O . HOH S 7 . ? 39.791 2.705 19.224 1.00 51.85 ? 2018 HOH B O 1 HETATM 3706 O O . HOH S 7 . ? 34.140 9.247 21.167 1.00 36.74 ? 2019 HOH B O 1 HETATM 3707 O O . HOH S 7 . ? 29.859 10.542 19.534 1.00 23.95 ? 2020 HOH B O 1 HETATM 3708 O O . HOH S 7 . ? 26.401 10.835 26.650 1.00 14.12 ? 2021 HOH B O 1 HETATM 3709 O O . HOH S 7 . ? 21.545 5.645 32.163 1.00 19.83 ? 2022 HOH B O 1 HETATM 3710 O O . HOH S 7 . ? 22.102 1.655 41.628 1.00 27.63 ? 2023 HOH B O 1 HETATM 3711 O O . HOH S 7 . ? 41.684 -3.627 36.842 1.00 52.27 ? 2024 HOH B O 1 HETATM 3712 O O . HOH S 7 . ? 25.861 -6.610 41.392 1.00 44.99 ? 2025 HOH B O 1 HETATM 3713 O O . HOH S 7 . ? 29.281 -9.679 35.993 1.00 33.65 ? 2026 HOH B O 1 HETATM 3714 O O . HOH S 7 . ? 0.952 2.963 24.159 1.00 44.50 ? 2027 HOH B O 1 HETATM 3715 O O . HOH S 7 . ? 17.313 -2.492 22.612 1.00 23.52 ? 2028 HOH B O 1 HETATM 3716 O O . HOH S 7 . ? 17.922 2.860 17.971 1.00 19.73 ? 2029 HOH B O 1 HETATM 3717 O O . HOH S 7 . ? 29.641 1.163 45.795 1.00 46.11 ? 2030 HOH B O 1 HETATM 3718 O O . HOH S 7 . ? 30.136 -5.128 15.714 1.00 42.99 ? 2031 HOH B O 1 HETATM 3719 O O . HOH S 7 . ? 25.688 9.817 43.084 1.00 35.03 ? 2032 HOH B O 1 HETATM 3720 O O . HOH S 7 . ? 19.829 7.342 48.049 1.00 38.84 ? 2033 HOH B O 1 HETATM 3721 O O . HOH S 7 . ? 31.078 -5.883 24.564 1.00 28.72 ? 2034 HOH B O 1 HETATM 3722 O O . HOH S 7 . ? 10.616 20.827 43.607 1.00 48.13 ? 2035 HOH B O 1 HETATM 3723 O O . HOH S 7 . ? 9.463 23.216 43.361 1.00 52.67 ? 2036 HOH B O 1 HETATM 3724 O O . HOH S 7 . ? 19.100 27.079 35.159 1.00 31.00 ? 2037 HOH B O 1 HETATM 3725 O O . HOH S 7 . ? 21.437 27.860 15.515 1.00 57.98 ? 2038 HOH B O 1 HETATM 3726 O O . HOH S 7 . ? 40.236 17.762 29.782 1.00 47.28 ? 2039 HOH B O 1 HETATM 3727 O O . HOH S 7 . ? 43.467 15.450 23.067 1.00 50.12 ? 2040 HOH B O 1 HETATM 3728 O O . HOH S 7 . ? 44.074 13.297 31.459 1.00 45.84 ? 2041 HOH B O 1 HETATM 3729 O O . HOH S 7 . ? 49.560 7.019 33.585 1.00 51.02 ? 2042 HOH B O 1 HETATM 3730 O O . HOH S 7 . ? 42.028 3.021 36.003 1.00 58.13 ? 2043 HOH B O 1 HETATM 3731 O O . HOH S 7 . ? 39.537 4.482 37.656 1.00 38.50 ? 2044 HOH B O 1 HETATM 3732 O O . HOH S 7 . ? 39.499 4.273 27.123 1.00 45.74 ? 2045 HOH B O 1 HETATM 3733 O O . HOH S 7 . ? 39.396 -2.592 37.033 1.00 52.01 ? 2046 HOH B O 1 HETATM 3734 O O . HOH S 7 . ? 22.734 -10.825 26.005 1.00 39.24 ? 2047 HOH B O 1 HETATM 3735 O O . HOH S 7 . ? 15.378 -8.479 31.583 1.00 23.29 ? 2048 HOH B O 1 HETATM 3736 O O . HOH S 7 . ? 16.226 -9.508 28.499 1.00 23.37 ? 2049 HOH B O 1 HETATM 3737 O O . HOH S 7 . ? 1.833 21.573 21.521 1.00 48.22 ? 2050 HOH B O 1 HETATM 3738 O O . HOH S 7 . ? 7.713 -4.025 21.796 1.00 52.46 ? 2051 HOH B O 1 HETATM 3739 O O . HOH S 7 . ? 15.438 1.650 18.472 1.00 17.99 ? 2052 HOH B O 1 HETATM 3740 O O . HOH S 7 . ? 7.754 -0.619 18.450 1.00 18.24 ? 2053 HOH B O 1 HETATM 3741 O O . HOH S 7 . ? 4.667 -2.456 24.385 1.00 29.28 ? 2054 HOH B O 1 HETATM 3742 O O . HOH S 7 . ? 8.760 6.212 17.682 1.00 16.26 ? 2055 HOH B O 1 HETATM 3743 O O . HOH S 7 . ? 4.027 6.817 19.666 1.00 21.54 ? 2056 HOH B O 1 HETATM 3744 O O . HOH S 7 . ? 2.916 5.238 24.160 1.00 27.22 ? 2057 HOH B O 1 HETATM 3745 O O . HOH S 7 . ? 1.677 3.639 17.517 1.00 39.06 ? 2058 HOH B O 1 HETATM 3746 O O . HOH S 7 . ? 1.003 -0.683 18.418 1.00 49.69 ? 2059 HOH B O 1 HETATM 3747 O O . HOH S 7 . ? 6.412 7.153 26.369 1.00 22.85 ? 2060 HOH B O 1 HETATM 3748 O O . HOH S 7 . ? 10.686 6.687 26.166 1.00 13.42 ? 2061 HOH B O 1 HETATM 3749 O O . HOH S 7 . ? 10.870 4.754 28.241 1.00 16.91 ? 2062 HOH B O 1 HETATM 3750 O O . HOH S 7 . ? 8.087 4.132 29.233 1.00 19.42 ? 2063 HOH B O 1 HETATM 3751 O O . HOH S 7 . ? 5.203 -1.968 26.804 1.00 44.01 ? 2064 HOH B O 1 HETATM 3752 O O . HOH S 7 . ? 32.376 -9.452 38.621 1.00 56.08 ? 2065 HOH B O 1 HETATM 3753 O O . HOH S 7 . ? 41.144 -4.298 39.147 1.00 56.93 ? 2066 HOH B O 1 HETATM 3754 O O . HOH S 7 . ? 40.224 7.285 44.294 1.00 51.55 ? 2067 HOH B O 1 HETATM 3755 O O . HOH S 7 . ? 41.915 11.199 40.138 1.00 59.30 ? 2068 HOH B O 1 HETATM 3756 O O . HOH S 7 . ? 30.081 3.551 44.561 1.00 32.22 ? 2069 HOH B O 1 HETATM 3757 O O . HOH S 7 . ? 27.861 4.790 45.420 1.00 43.86 ? 2070 HOH B O 1 HETATM 3758 O O . HOH S 7 . ? 23.115 8.734 41.989 1.00 31.60 ? 2071 HOH B O 1 HETATM 3759 O O . HOH S 7 . ? 19.512 3.171 44.971 1.00 32.16 ? 2072 HOH B O 1 HETATM 3760 O O . HOH S 7 . ? 15.778 1.996 44.238 1.00 26.62 ? 2073 HOH B O 1 HETATM 3761 O O . HOH S 7 . ? 15.479 4.319 47.443 1.00 45.49 ? 2074 HOH B O 1 HETATM 3762 O O . HOH S 7 . ? 18.303 5.649 46.994 1.00 40.88 ? 2075 HOH B O 1 HETATM 3763 O O . HOH S 7 . ? 12.597 7.812 45.652 1.00 35.58 ? 2076 HOH B O 1 HETATM 3764 O O . HOH S 7 . ? 11.710 0.440 45.333 1.00 20.23 ? 2077 HOH B O 1 HETATM 3765 O O . HOH S 7 . ? 7.285 5.878 45.487 1.00 61.67 ? 2078 HOH B O 1 HETATM 3766 O O . HOH S 7 . ? 5.245 1.489 40.674 1.00 37.83 ? 2079 HOH B O 1 HETATM 3767 O O . HOH S 7 . ? 6.930 -2.882 39.043 1.00 30.57 ? 2080 HOH B O 1 HETATM 3768 O O . HOH S 7 . ? 3.327 6.361 40.807 1.00 42.83 ? 2081 HOH B O 1 HETATM 3769 O O . HOH S 7 . ? 10.398 9.434 38.649 1.00 41.39 ? 2082 HOH B O 1 HETATM 3770 O O . HOH S 7 . ? 4.890 9.631 43.538 1.00 37.30 ? 2083 HOH B O 1 HETATM 3771 O O . HOH S 7 . ? 4.486 11.846 35.315 1.00 35.51 ? 2084 HOH B O 1 HETATM 3772 O O . HOH S 7 . ? 6.852 10.471 35.143 1.00 39.02 ? 2085 HOH B O 1 HETATM 3773 O O . HOH S 7 . ? 8.486 11.259 37.532 1.00 36.86 ? 2086 HOH B O 1 HETATM 3774 O O . HOH S 7 . ? 7.551 13.449 36.165 1.00 27.23 ? 2087 HOH B O 1 HETATM 3775 O O . HOH S 7 . ? 8.075 16.178 43.296 1.00 36.53 ? 2088 HOH B O 1 HETATM 3776 O O . HOH S 7 . ? 8.272 21.228 41.754 1.00 55.00 ? 2089 HOH B O 1 HETATM 3777 O O . HOH S 7 . ? 4.239 21.266 32.856 1.00 39.06 ? 2090 HOH B O 1 HETATM 3778 O O . HOH S 7 . ? 8.315 22.965 35.297 1.00 42.75 ? 2091 HOH B O 1 HETATM 3779 O O . HOH S 7 . ? 10.559 25.151 39.463 1.00 47.18 ? 2092 HOH B O 1 HETATM 3780 O O . HOH S 7 . ? 13.579 20.770 42.789 1.00 35.41 ? 2093 HOH B O 1 HETATM 3781 O O . HOH S 7 . ? 16.067 19.274 43.256 1.00 45.18 ? 2094 HOH B O 1 HETATM 3782 O O . HOH S 7 . ? 13.324 26.275 36.683 1.00 62.08 ? 2095 HOH B O 1 HETATM 3783 O O . HOH S 7 . ? 17.475 25.919 36.618 1.00 35.66 ? 2096 HOH B O 1 HETATM 3784 O O . HOH S 7 . ? 17.627 22.678 37.448 1.00 28.40 ? 2097 HOH B O 1 HETATM 3785 O O . HOH S 7 . ? 21.071 13.392 30.322 1.00 16.30 ? 2098 HOH B O 1 HETATM 3786 O O . HOH S 7 . ? 23.586 19.368 16.847 1.00 25.59 ? 2099 HOH B O 1 HETATM 3787 O O . HOH S 7 . ? 26.534 19.787 16.721 1.00 24.61 ? 2100 HOH B O 1 HETATM 3788 O O . HOH S 7 . ? 22.677 25.857 17.830 1.00 44.70 ? 2101 HOH B O 1 HETATM 3789 O O . HOH S 7 . ? 20.733 21.592 16.445 1.00 27.41 ? 2102 HOH B O 1 HETATM 3790 O O . HOH S 7 . ? 24.671 27.803 15.322 1.00 48.45 ? 2103 HOH B O 1 HETATM 3791 O O . HOH S 7 . ? 25.347 21.022 12.795 1.00 21.21 ? 2104 HOH B O 1 HETATM 3792 O O . HOH S 7 . ? 23.926 26.644 22.081 1.00 32.67 ? 2105 HOH B O 1 HETATM 3793 O O . HOH S 7 . ? 33.244 19.684 17.749 1.00 26.84 ? 2106 HOH B O 1 HETATM 3794 O O . HOH S 7 . ? 34.572 17.975 20.437 1.00 44.53 ? 2107 HOH B O 1 HETATM 3795 O O . HOH S 7 . ? 15.848 24.138 34.552 1.00 43.83 ? 2108 HOH B O 1 HETATM 3796 O O . HOH S 7 . ? 19.463 25.632 32.403 1.00 31.24 ? 2109 HOH B O 1 HETATM 3797 O O . HOH S 7 . ? 21.887 27.062 34.824 1.00 36.61 ? 2110 HOH B O 1 HETATM 3798 O O . HOH S 7 . ? 14.088 25.818 32.839 1.00 43.85 ? 2111 HOH B O 1 HETATM 3799 O O . HOH S 7 . ? 7.283 14.404 33.383 1.00 16.42 ? 2112 HOH B O 1 HETATM 3800 O O . HOH S 7 . ? 0.870 19.413 33.022 1.00 44.82 ? 2113 HOH B O 1 HETATM 3801 O O . HOH S 7 . ? 1.488 18.189 36.917 1.00 48.03 ? 2114 HOH B O 1 HETATM 3802 O O . HOH S 7 . ? 1.595 21.379 34.323 1.00 46.51 ? 2115 HOH B O 1 HETATM 3803 O O . HOH S 7 . ? -0.284 18.495 28.150 1.00 44.12 ? 2116 HOH B O 1 HETATM 3804 O O . HOH S 7 . ? 5.953 16.921 23.876 1.00 25.98 ? 2117 HOH B O 1 HETATM 3805 O O . HOH S 7 . ? 5.286 12.715 32.842 1.00 20.71 ? 2118 HOH B O 1 HETATM 3806 O O . HOH S 7 . ? 6.170 11.532 26.361 1.00 20.34 ? 2119 HOH B O 1 HETATM 3807 O O . HOH S 7 . ? 2.142 13.283 35.813 1.00 45.18 ? 2120 HOH B O 1 HETATM 3808 O O . HOH S 7 . ? 2.340 6.025 26.906 1.00 22.90 ? 2121 HOH B O 1 HETATM 3809 O O . HOH S 7 . ? 15.697 19.387 28.890 1.00 14.51 ? 2122 HOH B O 1 HETATM 3810 O O . HOH S 7 . ? 14.713 21.690 27.242 1.00 26.06 ? 2123 HOH B O 1 HETATM 3811 O O . HOH S 7 . ? 11.696 26.524 26.471 1.00 35.74 ? 2124 HOH B O 1 HETATM 3812 O O . HOH S 7 . ? 15.746 28.715 32.226 1.00 33.81 ? 2125 HOH B O 1 HETATM 3813 O O . HOH S 7 . ? 7.591 25.176 31.979 1.00 42.67 ? 2126 HOH B O 1 HETATM 3814 O O . HOH S 7 . ? 4.721 29.683 26.638 1.00 59.67 ? 2127 HOH B O 1 HETATM 3815 O O . HOH S 7 . ? 18.354 28.551 32.036 1.00 24.22 ? 2128 HOH B O 1 HETATM 3816 O O . HOH S 7 . ? 21.008 26.709 21.557 1.00 24.25 ? 2129 HOH B O 1 HETATM 3817 O O . HOH S 7 . ? 17.618 24.908 18.783 1.00 37.79 ? 2130 HOH B O 1 HETATM 3818 O O . HOH S 7 . ? 14.198 22.786 24.166 1.00 19.44 ? 2131 HOH B O 1 HETATM 3819 O O . HOH S 7 . ? 16.834 18.842 23.345 1.00 15.82 ? 2132 HOH B O 1 HETATM 3820 O O . HOH S 7 . ? 20.833 18.792 16.120 1.00 19.96 ? 2133 HOH B O 1 HETATM 3821 O O . HOH S 7 . ? 21.934 9.635 20.119 1.00 12.95 ? 2134 HOH B O 1 HETATM 3822 O O . HOH S 7 . ? 17.327 11.844 47.423 1.00 38.89 ? 2135 HOH B O 1 HETATM 3823 O O . HOH S 7 . ? 19.500 15.891 46.780 1.00 40.85 ? 2136 HOH B O 1 HETATM 3824 O O . HOH S 7 . ? 21.501 16.760 44.715 1.00 33.05 ? 2137 HOH B O 1 HETATM 3825 O O . HOH S 7 . ? 11.660 8.055 37.207 1.00 25.95 ? 2138 HOH B O 1 HETATM 3826 O O . HOH S 7 . ? 10.416 14.610 23.585 1.00 22.66 ? 2139 HOH B O 1 HETATM 3827 O O . HOH S 7 . ? 12.737 15.184 17.245 1.00 14.18 ? 2140 HOH B O 1 HETATM 3828 O O . HOH S 7 . ? 12.715 17.686 23.108 1.00 15.75 ? 2141 HOH B O 1 HETATM 3829 O O . HOH S 7 . ? 13.401 19.919 21.699 1.00 14.82 ? 2142 HOH B O 1 HETATM 3830 O O . HOH S 7 . ? 1.461 18.726 21.712 1.00 46.61 ? 2143 HOH B O 1 HETATM 3831 O O . HOH S 7 . ? 9.172 15.895 16.352 1.00 14.03 ? 2144 HOH B O 1 HETATM 3832 O O . HOH S 7 . ? 15.422 21.495 17.073 1.00 16.59 ? 2145 HOH B O 1 HETATM 3833 O O . HOH S 7 . ? 17.937 18.482 15.965 1.00 19.25 ? 2146 HOH B O 1 HETATM 3834 O O . HOH S 7 . ? 19.992 22.565 18.778 1.00 31.34 ? 2147 HOH B O 1 HETATM 3835 O O . HOH S 7 . ? 12.273 25.194 17.494 1.00 38.91 ? 2148 HOH B O 1 HETATM 3836 O O . HOH S 7 . ? 13.522 20.368 25.200 1.00 14.52 ? 2149 HOH B O 1 HETATM 3837 O O . HOH S 7 . ? 8.310 8.297 36.684 1.00 39.06 ? 2150 HOH B O 1 HETATM 3838 O O . HOH S 7 . ? 6.220 3.082 30.919 1.00 24.97 ? 2151 HOH B O 1 HETATM 3839 O O . HOH S 7 . ? 6.178 -2.282 43.645 1.00 21.48 ? 2152 HOH B O 1 HETATM 3840 O O . HOH S 7 . ? 17.480 -0.067 43.285 1.00 34.08 ? 2153 HOH B O 1 HETATM 3841 O O . HOH S 7 . ? 14.338 -0.200 45.253 1.00 30.53 ? 2154 HOH B O 1 HETATM 3842 O O . HOH S 7 . ? 19.447 -10.013 42.958 1.00 48.78 ? 2155 HOH B O 1 HETATM 3843 O O . HOH S 7 . ? 21.791 -8.863 47.539 1.00 55.68 ? 2156 HOH B O 1 HETATM 3844 O O . HOH S 7 . ? 22.410 19.211 45.569 1.00 37.07 ? 2157 HOH B O 1 HETATM 3845 O O . HOH S 7 . ? 19.676 22.295 44.678 1.00 51.29 ? 2158 HOH B O 1 HETATM 3846 O O . HOH S 7 . ? 15.175 13.571 16.945 1.00 28.91 ? 2159 HOH B O 1 HETATM 3847 O O . HOH S 7 . ? 7.787 14.858 23.300 1.00 33.25 ? 3003 HOH B O 1 HETATM 3848 O O . HOH S 7 . ? 48.261 7.859 36.022 1.00 59.68 ? 3006 HOH B O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . ILE A 1 ? 0.2189 0.3366 0.1902 -0.0131 -0.0105 -0.0040 16 ILE A N 2 C CA . ILE A 1 ? 0.2141 0.3396 0.1846 -0.0065 -0.0091 -0.0019 16 ILE A CA 3 C C . ILE A 1 ? 0.2170 0.3502 0.1910 -0.0050 -0.0065 0.0007 16 ILE A C 4 O O . ILE A 1 ? 0.2344 0.3765 0.2142 -0.0088 -0.0083 -0.0001 16 ILE A O 5 C CB . ILE A 1 ? 0.2093 0.3441 0.1809 -0.0055 -0.0133 -0.0042 16 ILE A CB 6 C CG1 . ILE A 1 ? 0.2161 0.3434 0.1833 -0.0059 -0.0154 -0.0068 16 ILE A CG1 7 C CG2 . ILE A 1 ? 0.2137 0.3570 0.1841 0.0017 -0.0120 -0.0017 16 ILE A CG2 8 C CD1 . ILE A 1 ? 0.2161 0.3372 0.1779 -0.0007 -0.0123 -0.0049 16 ILE A CD1 9 N N . VAL A 2 ? 0.2150 0.3454 0.1855 0.0004 -0.0022 0.0040 17 VAL A N 10 C CA . VAL A 2 ? 0.2153 0.3525 0.1878 0.0038 0.0007 0.0069 17 VAL A CA 11 C C . VAL A 2 ? 0.2248 0.3730 0.1972 0.0111 0.0005 0.0085 17 VAL A C 12 O O . VAL A 2 ? 0.2388 0.3817 0.2053 0.0155 0.0011 0.0092 17 VAL A O 13 C CB . VAL A 2 ? 0.2192 0.3437 0.1855 0.0062 0.0057 0.0094 17 VAL A CB 14 C CG1 . VAL A 2 ? 0.2228 0.3534 0.1895 0.0114 0.0096 0.0126 17 VAL A CG1 15 C CG2 . VAL A 2 ? 0.2120 0.3253 0.1775 -0.0005 0.0054 0.0077 17 VAL A CG2 16 N N . GLY A 3 ? 0.2089 0.3725 0.1878 0.0120 -0.0004 0.0091 18 GLY A N 17 C CA . GLY A 3 ? 0.2106 0.3871 0.1903 0.0193 -0.0007 0.0109 18 GLY A CA 18 C C . GLY A 3 ? 0.2088 0.3923 0.1890 0.0195 -0.0058 0.0084 18 GLY A C 19 O O . GLY A 3 ? 0.1978 0.3876 0.1754 0.0270 -0.0059 0.0101 18 GLY A O 20 N N . GLY A 4 ? 0.2023 0.3841 0.1850 0.0117 -0.0099 0.0046 19 GLY A N 21 C CA . GLY A 4 ? 0.2136 0.4000 0.1958 0.0109 -0.0150 0.0015 19 GLY A CA 22 C C . GLY A 4 ? 0.2104 0.4152 0.2008 0.0075 -0.0197 -0.0004 19 GLY A C 23 O O . GLY A 4 ? 0.2137 0.4313 0.2101 0.0091 -0.0185 0.0017 19 GLY A O 24 N N . ARG A 5 ? 0.2158 0.4213 0.2061 0.0025 -0.0251 -0.0046 20 ARG A N 25 C CA . ARG A 5 ? 0.2183 0.4395 0.2160 -0.0030 -0.0305 -0.0075 20 ARG A CA 26 C C . ARG A 5 ? 0.2299 0.4408 0.2244 -0.0105 -0.0345 -0.0123 20 ARG A C 27 O O . ARG A 5 ? 0.2444 0.4400 0.2314 -0.0089 -0.0334 -0.0130 20 ARG A O 28 C CB . ARG A 5 ? 0.2125 0.4482 0.2101 0.0035 -0.0335 -0.0072 20 ARG A CB 29 C CG . ARG A 5 ? 0.2169 0.4433 0.2046 0.0085 -0.0348 -0.0083 20 ARG A CG 30 C CD . ARG A 5 ? 0.2179 0.4584 0.2044 0.0146 -0.0389 -0.0086 20 ARG A CD 31 N NE . ARG A 5 ? 0.2275 0.4564 0.2035 0.0194 -0.0387 -0.0091 20 ARG A NE 32 C CZ . ARG A 5 ? 0.2436 0.4642 0.2128 0.0275 -0.0337 -0.0052 20 ARG A CZ 33 N NH1 . ARG A 5 ? 0.2396 0.4622 0.2106 0.0322 -0.0290 -0.0007 20 ARG A NH1 34 N NH2 . ARG A 5 ? 0.2487 0.4588 0.2088 0.0309 -0.0331 -0.0056 20 ARG A NH2 35 N N . ARG A 6 ? 0.2343 0.4529 0.2338 -0.0182 -0.0390 -0.0155 21 ARG A N 36 C CA . ARG A 6 ? 0.2685 0.4778 0.2638 -0.0245 -0.0434 -0.0204 21 ARG A CA 37 C C . ARG A 6 ? 0.2637 0.4716 0.2518 -0.0196 -0.0467 -0.0226 21 ARG A C 38 O O . ARG A 6 ? 0.2609 0.4826 0.2503 -0.0151 -0.0490 -0.0222 21 ARG A O 39 C CB . ARG A 6 ? 0.3187 0.5385 0.3206 -0.0340 -0.0480 -0.0233 21 ARG A CB 40 C CG . ARG A 6 ? 0.3709 0.5877 0.3782 -0.0402 -0.0443 -0.0214 21 ARG A CG 41 C CD . ARG A 6 ? 0.4499 0.6846 0.4674 -0.0463 -0.0457 -0.0211 21 ARG A CD 42 N NE . ARG A 6 ? 0.5372 0.7701 0.5551 -0.0572 -0.0507 -0.0257 21 ARG A NE 43 C CZ . ARG A 6 ? 0.6021 0.8324 0.6238 -0.0673 -0.0501 -0.0262 21 ARG A CZ 44 N NH1 . ARG A 6 ? 0.5983 0.8270 0.6236 -0.0676 -0.0444 -0.0223 21 ARG A NH1 45 N NH2 . ARG A 6 ? 0.6293 0.8574 0.6502 -0.0775 -0.0553 -0.0307 21 ARG A NH2 46 N N . ALA A 7 ? 0.2575 0.4492 0.2378 -0.0200 -0.0469 -0.0249 22 ALA A N 47 C CA . ALA A 7 ? 0.2749 0.4645 0.2477 -0.0172 -0.0509 -0.0284 22 ALA A CA 48 C C . ALA A 7 ? 0.2958 0.4929 0.2705 -0.0249 -0.0577 -0.0332 22 ALA A C 49 O O . ALA A 7 ? 0.2892 0.4874 0.2694 -0.0336 -0.0588 -0.0344 22 ALA A O 50 C CB . ALA A 7 ? 0.2713 0.4425 0.2361 -0.0166 -0.0493 -0.0299 22 ALA A CB 51 N N . ARG A 8 ? 0.3258 0.5283 0.2957 -0.0218 -0.0622 -0.0358 23 ARG A N 52 C CA . ARG A 8 ? 0.3407 0.5482 0.3105 -0.0291 -0.0691 -0.0411 23 ARG A CA 53 C C . ARG A 8 ? 0.3297 0.5167 0.2917 -0.0340 -0.0697 -0.0449 23 ARG A C 54 O O . ARG A 8 ? 0.3108 0.4845 0.2665 -0.0288 -0.0660 -0.0439 23 ARG A O 55 C CB . ARG A 8 ? 0.3961 0.6116 0.3601 -0.0232 -0.0735 -0.0430 23 ARG A CB 56 C CG . ARG A 8 ? 0.4538 0.6925 0.4249 -0.0218 -0.0772 -0.0421 23 ARG A CG 57 C CD . ARG A 8 ? 0.5202 0.7630 0.4833 -0.0194 -0.0837 -0.0464 23 ARG A CD 58 N NE . ARG A 8 ? 0.6423 0.8728 0.5944 -0.0095 -0.0803 -0.0449 23 ARG A NE 59 C CZ . ARG A 8 ? 0.7087 0.9203 0.6505 -0.0089 -0.0792 -0.0475 23 ARG A CZ 60 N NH1 . ARG A 8 ? 0.7700 0.9691 0.7084 -0.0172 -0.0819 -0.0525 23 ARG A NH1 61 N NH2 . ARG A 8 ? 0.6683 0.8725 0.6024 0.0003 -0.0750 -0.0449 23 ARG A NH2 62 N N . PRO A 9 ? 0.3207 0.5045 0.2828 -0.0439 -0.0740 -0.0492 24 PRO A N 63 C CA . PRO A 9 ? 0.3278 0.4903 0.2814 -0.0470 -0.0738 -0.0523 24 PRO A CA 64 C C . PRO A 9 ? 0.3292 0.4815 0.2712 -0.0397 -0.0745 -0.0546 24 PRO A C 65 O O . PRO A 9 ? 0.3129 0.4719 0.2507 -0.0368 -0.0785 -0.0570 24 PRO A O 66 C CB . PRO A 9 ? 0.3390 0.4997 0.2927 -0.0589 -0.0792 -0.0571 24 PRO A CB 67 C CG . PRO A 9 ? 0.3390 0.5214 0.3051 -0.0635 -0.0806 -0.0552 24 PRO A CG 68 C CD . PRO A 9 ? 0.3309 0.5289 0.3011 -0.0530 -0.0784 -0.0510 24 PRO A CD 69 N N . HIS A 10 ? 0.3232 0.4599 0.2600 -0.0364 -0.0705 -0.0538 25 HIS A N 70 C CA . HIS A 10 ? 0.3331 0.4595 0.2591 -0.0301 -0.0706 -0.0561 25 HIS A CA 71 C C . HIS A 10 ? 0.3254 0.4614 0.2495 -0.0205 -0.0693 -0.0538 25 HIS A C 72 O O . HIS A 10 ? 0.3266 0.4557 0.2409 -0.0154 -0.0701 -0.0563 25 HIS A O 73 C CB . HIS A 10 ? 0.3683 0.4846 0.2846 -0.0351 -0.0767 -0.0630 25 HIS A CB 74 C CG . HIS A 10 ? 0.3976 0.5029 0.3145 -0.0448 -0.0778 -0.0649 25 HIS A CG 75 N ND1 . HIS A 10 ? 0.4041 0.4956 0.3199 -0.0445 -0.0736 -0.0632 25 HIS A ND1 76 C CD2 . HIS A 10 ? 0.4172 0.5244 0.3364 -0.0553 -0.0822 -0.0678 25 HIS A CD2 77 C CE1 . HIS A 10 ? 0.4237 0.5081 0.3403 -0.0539 -0.0752 -0.0648 25 HIS A CE1 78 N NE2 . HIS A 10 ? 0.4371 0.5305 0.3559 -0.0610 -0.0802 -0.0676 25 HIS A NE2 79 N N . ALA A 11 ? 0.2954 0.4447 0.2274 -0.0173 -0.0665 -0.0489 26 ALA A N 80 C CA . ALA A 11 ? 0.2891 0.4450 0.2181 -0.0077 -0.0644 -0.0460 26 ALA A CA 81 C C . ALA A 11 ? 0.2911 0.4359 0.2143 -0.0011 -0.0591 -0.0441 26 ALA A C 82 O O . ALA A 11 ? 0.2866 0.4326 0.2033 0.0059 -0.0583 -0.0436 26 ALA A O 83 C CB . ALA A 11 ? 0.2853 0.4552 0.2230 -0.0052 -0.0619 -0.0409 26 ALA A CB 84 N N . TRP A 12 ? 0.2804 0.4149 0.2058 -0.0035 -0.0555 -0.0430 27 TRP A N 85 C CA . TRP A 12 ? 0.2810 0.4070 0.2028 0.0019 -0.0503 -0.0407 27 TRP A CA 86 C C . TRP A 12 ? 0.2910 0.4030 0.2078 -0.0004 -0.0510 -0.0443 27 TRP A C 87 O O . TRP A 12 ? 0.2735 0.3790 0.1938 -0.0031 -0.0487 -0.0431 27 TRP A O 88 C CB . TRP A 12 ? 0.2675 0.3958 0.1970 0.0024 -0.0449 -0.0352 27 TRP A CB 89 C CG . TRP A 12 ? 0.2559 0.3972 0.1898 0.0043 -0.0449 -0.0322 27 TRP A CG 90 C CD1 . TRP A 12 ? 0.2562 0.4045 0.1980 0.0005 -0.0449 -0.0304 27 TRP A CD1 91 C CD2 . TRP A 12 ? 0.2587 0.4075 0.1886 0.0111 -0.0447 -0.0305 27 TRP A CD2 92 N NE1 . TRP A 12 ? 0.2550 0.4155 0.1988 0.0050 -0.0447 -0.0276 27 TRP A NE1 93 C CE2 . TRP A 12 ? 0.2550 0.4156 0.1912 0.0116 -0.0447 -0.0276 27 TRP A CE2 94 C CE3 . TRP A 12 ? 0.2646 0.4114 0.1857 0.0175 -0.0443 -0.0311 27 TRP A CE3 95 C CZ2 . TRP A 12 ? 0.2687 0.4389 0.2026 0.0182 -0.0448 -0.0252 27 TRP A CZ2 96 C CZ3 . TRP A 12 ? 0.2755 0.4313 0.1936 0.0240 -0.0442 -0.0286 27 TRP A CZ3 97 C CH2 . TRP A 12 ? 0.2735 0.4410 0.1979 0.0243 -0.0449 -0.0258 27 TRP A CH2 98 N N . PRO A 13 ? 0.3076 0.4147 0.2151 0.0012 -0.0545 -0.0490 28 PRO A N 99 C CA . PRO A 13 ? 0.3153 0.4087 0.2168 -0.0013 -0.0564 -0.0533 28 PRO A CA 100 C C . PRO A 13 ? 0.3058 0.3895 0.2050 0.0027 -0.0520 -0.0521 28 PRO A C 101 O O . PRO A 13 ? 0.3007 0.3725 0.1951 0.0010 -0.0533 -0.0552 28 PRO A O 102 C CB . PRO A 13 ? 0.3336 0.4253 0.2249 -0.0001 -0.0615 -0.0585 28 PRO A CB 103 C CG . PRO A 13 ? 0.3368 0.4407 0.2279 0.0059 -0.0606 -0.0561 28 PRO A CG 104 C CD . PRO A 13 ? 0.3149 0.4297 0.2171 0.0047 -0.0577 -0.0507 28 PRO A CD 105 N N . PHE A 14 ? 0.2976 0.3866 0.2000 0.0079 -0.0469 -0.0476 29 PHE A N 106 C CA . PHE A 14 ? 0.2857 0.3694 0.1894 0.0108 -0.0422 -0.0453 29 PHE A CA 107 C C . PHE A 14 ? 0.2884 0.3713 0.2009 0.0062 -0.0400 -0.0421 29 PHE A C 108 O O . PHE A 14 ? 0.2848 0.3638 0.1988 0.0080 -0.0367 -0.0404 29 PHE A O 109 C CB . PHE A 14 ? 0.2833 0.3734 0.1864 0.0177 -0.0374 -0.0417 29 PHE A CB 110 C CG . PHE A 14 ? 0.2874 0.3877 0.1952 0.0178 -0.0362 -0.0378 29 PHE A CG 111 C CD1 . PHE A 14 ? 0.2710 0.3740 0.1869 0.0150 -0.0335 -0.0338 29 PHE A CD1 112 C CD2 . PHE A 14 ? 0.2860 0.3928 0.1888 0.0211 -0.0382 -0.0385 29 PHE A CD2 113 C CE1 . PHE A 14 ? 0.2746 0.3860 0.1939 0.0158 -0.0322 -0.0303 29 PHE A CE1 114 C CE2 . PHE A 14 ? 0.2867 0.4025 0.1933 0.0223 -0.0370 -0.0347 29 PHE A CE2 115 C CZ . PHE A 14 ? 0.2779 0.3958 0.1928 0.0194 -0.0342 -0.0307 29 PHE A CZ 116 N N . MET A 15 ? 0.2889 0.3760 0.2071 0.0005 -0.0418 -0.0413 30 MET A N 117 C CA . MET A 15 ? 0.2798 0.3661 0.2053 -0.0033 -0.0395 -0.0382 30 MET A CA 118 C C . MET A 15 ? 0.2847 0.3595 0.2083 -0.0072 -0.0411 -0.0406 30 MET A C 119 O O . MET A 15 ? 0.3245 0.3938 0.2436 -0.0108 -0.0453 -0.0446 30 MET A O 120 C CB . MET A 15 ? 0.2746 0.3700 0.2062 -0.0076 -0.0408 -0.0367 30 MET A CB 121 C CG . MET A 15 ? 0.2761 0.3714 0.2150 -0.0114 -0.0380 -0.0333 30 MET A CG 122 S SD . MET A 15 ? 0.2519 0.3478 0.1929 -0.0061 -0.0319 -0.0283 30 MET A SD 123 C CE . MET A 15 ? 0.2461 0.3363 0.1920 -0.0113 -0.0302 -0.0265 30 MET A CE 124 N N . VAL A 16 ? 0.2594 0.3298 0.1857 -0.0067 -0.0379 -0.0382 31 VAL A N 125 C CA . VAL A 16 ? 0.2504 0.3091 0.1739 -0.0089 -0.0390 -0.0399 31 VAL A CA 126 C C . VAL A 16 ? 0.2423 0.3002 0.1718 -0.0134 -0.0375 -0.0370 31 VAL A C 127 O O . VAL A 16 ? 0.2205 0.2856 0.1558 -0.0128 -0.0343 -0.0332 31 VAL A O 128 C CB . VAL A 16 ? 0.2515 0.3061 0.1714 -0.0025 -0.0370 -0.0402 31 VAL A CB 129 C CG1 . VAL A 16 ? 0.2525 0.2957 0.1694 -0.0032 -0.0379 -0.0414 31 VAL A CG1 130 C CG2 . VAL A 16 ? 0.2596 0.3148 0.1726 0.0025 -0.0382 -0.0432 31 VAL A CG2 131 N N . SER A 17 ? 0.2454 0.2938 0.1724 -0.0181 -0.0396 -0.0388 32 SER A N 132 C CA . SER A 17 ? 0.2578 0.3032 0.1889 -0.0223 -0.0381 -0.0361 32 SER A CA 133 C C . SER A 17 ? 0.2715 0.3055 0.1980 -0.0198 -0.0378 -0.0366 32 SER A C 134 O O . SER A 17 ? 0.2778 0.3019 0.1968 -0.0190 -0.0404 -0.0400 32 SER A O 135 C CB . SER A 17 ? 0.2652 0.3080 0.1965 -0.0299 -0.0404 -0.0372 32 SER A CB 136 O OG . SER A 17 ? 0.2670 0.3051 0.2004 -0.0332 -0.0386 -0.0347 32 SER A OG 137 N N . LEU A 18 ? 0.2701 0.3056 0.2003 -0.0178 -0.0350 -0.0335 33 LEU A N 138 C CA . LEU A 18 ? 0.2839 0.3100 0.2103 -0.0156 -0.0352 -0.0338 33 LEU A CA 139 C C . LEU A 18 ? 0.2975 0.3162 0.2236 -0.0212 -0.0356 -0.0326 33 LEU A C 140 O O . LEU A 18 ? 0.2966 0.3210 0.2282 -0.0245 -0.0336 -0.0298 33 LEU A O 141 C CB . LEU A 18 ? 0.2715 0.3036 0.2021 -0.0113 -0.0323 -0.0311 33 LEU A CB 142 C CG . LEU A 18 ? 0.2782 0.3187 0.2097 -0.0060 -0.0310 -0.0315 33 LEU A CG 143 C CD1 . LEU A 18 ? 0.2670 0.3131 0.2031 -0.0032 -0.0281 -0.0288 33 LEU A CD1 144 C CD2 . LEU A 18 ? 0.2838 0.3180 0.2079 -0.0018 -0.0333 -0.0353 33 LEU A CD2 145 N N . GLN A 19 ? 0.3128 0.3184 0.2317 -0.0219 -0.0377 -0.0345 34 GLN A N 146 C CA . GLN A 19 ? 0.3345 0.3320 0.2520 -0.0275 -0.0378 -0.0333 34 GLN A CA 147 C C . GLN A 19 ? 0.3555 0.3413 0.2670 -0.0247 -0.0383 -0.0329 34 GLN A C 148 O O . GLN A 19 ? 0.3590 0.3409 0.2660 -0.0186 -0.0394 -0.0347 34 GLN A O 149 C CB . GLN A 19 ? 0.3495 0.3406 0.2626 -0.0335 -0.0403 -0.0359 34 GLN A CB 150 C CG . GLN A 19 ? 0.3381 0.3417 0.2564 -0.0354 -0.0407 -0.0368 34 GLN A CG 151 C CD . GLN A 19 ? 0.3508 0.3517 0.2676 -0.0433 -0.0429 -0.0387 34 GLN A CD 152 O OE1 . GLN A 19 ? 0.3448 0.3320 0.2547 -0.0472 -0.0444 -0.0402 34 GLN A OE1 153 N NE2 . GLN A 19 ? 0.3275 0.3415 0.2505 -0.0457 -0.0431 -0.0386 34 GLN A NE2 154 N N . LEU A 20 ? 0.3751 0.3562 0.2866 -0.0284 -0.0373 -0.0305 35 LEU A N 155 C CA . LEU A 20 ? 0.4386 0.4074 0.3434 -0.0262 -0.0380 -0.0300 35 LEU A CA 156 C C . LEU A 20 ? 0.4867 0.4451 0.3872 -0.0332 -0.0380 -0.0290 35 LEU A C 157 O O . LEU A 20 ? 0.4888 0.4541 0.3952 -0.0384 -0.0359 -0.0268 35 LEU A O 158 C CB . LEU A 20 ? 0.4534 0.4280 0.3625 -0.0231 -0.0364 -0.0270 35 LEU A CB 159 C CG . LEU A 20 ? 0.4901 0.4706 0.4010 -0.0157 -0.0367 -0.0275 35 LEU A CG 160 C CD1 . LEU A 20 ? 0.4992 0.4865 0.4151 -0.0145 -0.0353 -0.0247 35 LEU A CD1 161 C CD2 . LEU A 20 ? 0.5229 0.4918 0.4250 -0.0104 -0.0391 -0.0293 35 LEU A CD2 162 N N . ARG A 21 ? 0.5547 0.4967 0.4449 -0.0329 -0.0398 -0.0303 36 ARG A N 163 C CA . ARG A 21 ? 0.6454 0.5748 0.5299 -0.0398 -0.0394 -0.0291 36 ARG A CA 164 C C . ARG A 21 ? 0.6391 0.5751 0.5288 -0.0485 -0.0387 -0.0295 36 ARG A C 165 O O . ARG A 21 ? 0.5855 0.5240 0.4786 -0.0542 -0.0365 -0.0268 36 ARG A O 166 C CB . ARG A 21 ? 0.7054 0.6356 0.5917 -0.0402 -0.0372 -0.0252 36 ARG A CB 167 C CG . ARG A 21 ? 0.8128 0.7446 0.6987 -0.0321 -0.0376 -0.0242 36 ARG A CG 168 C CD . ARG A 21 ? 0.8882 0.8168 0.7730 -0.0338 -0.0359 -0.0207 36 ARG A CD 169 N NE . ARG A 21 ? 1.0195 0.9438 0.8999 -0.0268 -0.0373 -0.0198 36 ARG A NE 170 C CZ . ARG A 21 ? 1.1133 1.0230 0.9831 -0.0225 -0.0394 -0.0205 36 ARG A CZ 171 N NH1 . ARG A 21 ? 1.1499 1.0454 1.0110 -0.0244 -0.0404 -0.0223 36 ARG A NH1 172 N NH2 . ARG A 21 ? 1.1348 1.0439 1.0021 -0.0159 -0.0408 -0.0194 36 ARG A NH2 173 N N . GLY A 22 ? 0.6310 0.5718 0.5219 -0.0484 -0.0406 -0.0328 38 GLY A N 174 C CA . GLY A 22 ? 0.6011 0.5522 0.4982 -0.0548 -0.0409 -0.0339 38 GLY A CA 175 C C . GLY A 22 ? 0.5805 0.5512 0.4900 -0.0556 -0.0384 -0.0313 38 GLY A C 176 O O . GLY A 22 ? 0.6360 0.6160 0.5507 -0.0608 -0.0387 -0.0319 38 GLY A O 177 N N . GLY A 23 ? 0.5029 0.4797 0.4166 -0.0507 -0.0361 -0.0285 39 GLY A N 178 C CA . GLY A 23 ? 0.4310 0.4239 0.3545 -0.0507 -0.0336 -0.0262 39 GLY A CA 179 C C . GLY A 23 ? 0.3772 0.3806 0.3048 -0.0442 -0.0335 -0.0267 39 GLY A C 180 O O . GLY A 23 ? 0.3349 0.3351 0.2601 -0.0384 -0.0336 -0.0268 39 GLY A O 181 N N . HIS A 24 ? 0.3321 0.3483 0.2660 -0.0452 -0.0331 -0.0267 40 HIS A N 182 C CA . HIS A 24 ? 0.3055 0.3324 0.2436 -0.0398 -0.0321 -0.0262 40 HIS A CA 183 C C . HIS A 24 ? 0.3017 0.3307 0.2424 -0.0365 -0.0291 -0.0231 40 HIS A C 184 O O . HIS A 24 ? 0.2890 0.3190 0.2320 -0.0392 -0.0270 -0.0206 40 HIS A O 185 C CB . HIS A 24 ? 0.2916 0.3321 0.2360 -0.0418 -0.0317 -0.0258 40 HIS A CB 186 C CG . HIS A 24 ? 0.2775 0.3282 0.2256 -0.0360 -0.0300 -0.0245 40 HIS A CG 187 N ND1 . HIS A 24 ? 0.2729 0.3265 0.2191 -0.0321 -0.0316 -0.0267 40 HIS A ND1 188 C CD2 . HIS A 24 ? 0.2617 0.3195 0.2141 -0.0338 -0.0266 -0.0213 40 HIS A CD2 189 C CE1 . HIS A 24 ? 0.2640 0.3257 0.2133 -0.0276 -0.0292 -0.0247 40 HIS A CE1 190 N NE2 . HIS A 24 ? 0.2684 0.3321 0.2212 -0.0287 -0.0262 -0.0214 40 HIS A NE2 191 N N . PHE A 25 ? 0.2744 0.3043 0.2145 -0.0309 -0.0288 -0.0233 41 PHE A N 192 C CA . PHE A 25 ? 0.2520 0.2849 0.1948 -0.0285 -0.0262 -0.0206 41 PHE A CA 193 C C . PHE A 25 ? 0.2331 0.2752 0.1793 -0.0245 -0.0245 -0.0199 41 PHE A C 194 O O . PHE A 25 ? 0.2154 0.2610 0.1643 -0.0239 -0.0219 -0.0174 41 PHE A O 195 C CB . PHE A 25 ? 0.2522 0.2764 0.1913 -0.0268 -0.0269 -0.0205 41 PHE A CB 196 C CG . PHE A 25 ? 0.2346 0.2575 0.1713 -0.0219 -0.0286 -0.0226 41 PHE A CG 197 C CD1 . PHE A 25 ? 0.2360 0.2663 0.1760 -0.0180 -0.0271 -0.0218 41 PHE A CD1 198 C CD2 . PHE A 25 ? 0.2465 0.2610 0.1774 -0.0212 -0.0313 -0.0253 41 PHE A CD2 199 C CE1 . PHE A 25 ? 0.2319 0.2632 0.1705 -0.0130 -0.0282 -0.0236 41 PHE A CE1 200 C CE2 . PHE A 25 ? 0.2414 0.2551 0.1696 -0.0157 -0.0325 -0.0272 41 PHE A CE2 201 C CZ . PHE A 25 ? 0.2407 0.2641 0.1734 -0.0114 -0.0308 -0.0264 41 PHE A CZ 202 N N . CYS A 26 ? 0.2347 0.2808 0.1804 -0.0223 -0.0258 -0.0220 42 CYS A N 203 C CA . CYS A 26 ? 0.2259 0.2802 0.1739 -0.0185 -0.0239 -0.0210 42 CYS A CA 204 C C . CYS A 26 ? 0.2258 0.2835 0.1718 -0.0167 -0.0259 -0.0236 42 CYS A C 205 O O . CYS A 26 ? 0.2226 0.2746 0.1647 -0.0177 -0.0289 -0.0266 42 CYS A O 206 C CB . CYS A 26 ? 0.2347 0.2877 0.1821 -0.0149 -0.0231 -0.0208 42 CYS A CB 207 S SG . CYS A 26 ? 0.2347 0.2890 0.1853 -0.0154 -0.0199 -0.0174 42 CYS A SG 208 N N . GLY A 27 ? 0.2116 0.2774 0.1594 -0.0141 -0.0243 -0.0224 43 GLY A N 209 C CA . GLY A 27 ? 0.2107 0.2802 0.1561 -0.0115 -0.0257 -0.0245 43 GLY A CA 210 C C . GLY A 27 ? 0.2142 0.2830 0.1570 -0.0066 -0.0248 -0.0252 43 GLY A C 211 O O . GLY A 27 ? 0.2208 0.2883 0.1651 -0.0055 -0.0229 -0.0237 43 GLY A O 212 N N . ALA A 28 ? 0.2214 0.2914 0.1602 -0.0038 -0.0265 -0.0278 44 ALA A N 213 C CA . ALA A 28 ? 0.2219 0.2930 0.1578 0.0015 -0.0253 -0.0286 44 ALA A CA 214 C C . ALA A 28 ? 0.2239 0.2990 0.1556 0.0041 -0.0267 -0.0304 44 ALA A C 215 O O . ALA A 28 ? 0.2218 0.2993 0.1535 0.0014 -0.0290 -0.0312 44 ALA A O 216 C CB . ALA A 28 ? 0.2222 0.2854 0.1546 0.0029 -0.0270 -0.0311 44 ALA A CB 217 N N . THR A 29 ? 0.2238 0.3003 0.1520 0.0092 -0.0254 -0.0311 45 THR A N 218 C CA . THR A 29 ? 0.2306 0.3109 0.1538 0.0127 -0.0261 -0.0325 45 THR A CA 219 C C . THR A 29 ? 0.2406 0.3163 0.1570 0.0174 -0.0270 -0.0360 45 THR A C 220 O O . THR A 29 ? 0.2377 0.3122 0.1549 0.0201 -0.0247 -0.0354 45 THR A O 221 C CB . THR A 29 ? 0.2340 0.3221 0.1588 0.0162 -0.0215 -0.0286 45 THR A CB 222 O OG1 . THR A 29 ? 0.2133 0.3048 0.1429 0.0133 -0.0201 -0.0252 45 THR A OG1 223 C CG2 . THR A 29 ? 0.2415 0.3330 0.1596 0.0205 -0.0223 -0.0300 45 THR A CG2 224 N N . LEU A 30 ? 0.2565 0.3297 0.1661 0.0183 -0.0305 -0.0397 46 LEU A N 225 C CA . LEU A 30 ? 0.2632 0.3299 0.1644 0.0228 -0.0318 -0.0436 46 LEU A CA 226 C C . LEU A 30 ? 0.2702 0.3433 0.1684 0.0291 -0.0285 -0.0425 46 LEU A C 227 O O . LEU A 30 ? 0.2751 0.3540 0.1720 0.0297 -0.0285 -0.0416 46 LEU A O 228 C CB . LEU A 30 ? 0.2763 0.3359 0.1704 0.0203 -0.0372 -0.0484 46 LEU A CB 229 C CG . LEU A 30 ? 0.2922 0.3427 0.1757 0.0254 -0.0385 -0.0529 46 LEU A CG 230 C CD1 . LEU A 30 ? 0.2983 0.3388 0.1808 0.0256 -0.0387 -0.0539 46 LEU A CD1 231 C CD2 . LEU A 30 ? 0.3117 0.3565 0.1869 0.0226 -0.0440 -0.0578 46 LEU A CD2 232 N N . ILE A 31 ? 0.2775 0.3511 0.1758 0.0338 -0.0251 -0.0417 47 ILE A N 233 C CA . ILE A 31 ? 0.2928 0.3737 0.1894 0.0396 -0.0206 -0.0396 47 ILE A CA 234 C C . ILE A 31 ? 0.2997 0.3774 0.1871 0.0467 -0.0204 -0.0430 47 ILE A C 235 O O . ILE A 31 ? 0.3203 0.4036 0.2048 0.0513 -0.0171 -0.0418 47 ILE A O 236 C CB . ILE A 31 ? 0.2908 0.3792 0.1962 0.0390 -0.0152 -0.0345 47 ILE A CB 237 C CG1 . ILE A 31 ? 0.2987 0.3849 0.2075 0.0398 -0.0148 -0.0351 47 ILE A CG1 238 C CG2 . ILE A 31 ? 0.2820 0.3731 0.1939 0.0332 -0.0150 -0.0311 47 ILE A CG2 239 C CD1 . ILE A 31 ? 0.3004 0.3944 0.2174 0.0393 -0.0101 -0.0309 47 ILE A CD1 240 N N . ALA A 32 ? 0.3067 0.3746 0.1886 0.0472 -0.0240 -0.0473 48 ALA A N 241 C CA . ALA A 32 ? 0.3300 0.3917 0.2011 0.0536 -0.0249 -0.0515 48 ALA A CA 242 C C . ALA A 32 ? 0.3639 0.4116 0.2293 0.0503 -0.0305 -0.0561 48 ALA A C 243 O O . ALA A 32 ? 0.3752 0.4206 0.2470 0.0438 -0.0323 -0.0550 48 ALA A O 244 C CB . ALA A 32 ? 0.3218 0.3870 0.1946 0.0600 -0.0204 -0.0501 48 ALA A CB 245 N N . PRO A 33 ? 0.3892 0.4263 0.2417 0.0546 -0.0332 -0.0613 49 PRO A N 246 C CA . PRO A 33 ? 0.4014 0.4237 0.2482 0.0503 -0.0383 -0.0654 49 PRO A CA 247 C C . PRO A 33 ? 0.4078 0.4257 0.2602 0.0489 -0.0377 -0.0637 49 PRO A C 248 O O . PRO A 33 ? 0.4674 0.4761 0.3193 0.0424 -0.0413 -0.0650 49 PRO A O 249 C CB . PRO A 33 ? 0.4217 0.4325 0.2529 0.0572 -0.0399 -0.0708 49 PRO A CB 250 C CG . PRO A 33 ? 0.4155 0.4358 0.2433 0.0617 -0.0379 -0.0705 49 PRO A CG 251 C CD . PRO A 33 ? 0.4066 0.4432 0.2481 0.0623 -0.0321 -0.0639 49 PRO A CD 252 N N . ASN A 34 ? 0.3977 0.4219 0.2546 0.0549 -0.0333 -0.0610 50 ASN A N 253 C CA . ASN A 34 ? 0.3959 0.4164 0.2569 0.0554 -0.0329 -0.0596 50 ASN A CA 254 C C . ASN A 34 ? 0.3586 0.3932 0.2342 0.0530 -0.0292 -0.0540 50 ASN A C 255 O O . ASN A 34 ? 0.3426 0.3777 0.2219 0.0553 -0.0281 -0.0526 50 ASN A O 256 C CB . ASN A 34 ? 0.4259 0.4410 0.2785 0.0654 -0.0316 -0.0620 50 ASN A CB 257 C CG . ASN A 34 ? 0.4239 0.4539 0.2804 0.0727 -0.0262 -0.0595 50 ASN A CG 258 O OD1 . ASN A 34 ? 0.4234 0.4635 0.2831 0.0712 -0.0241 -0.0578 50 ASN A OD1 259 N ND2 . ASN A 34 ? 0.4218 0.4541 0.2786 0.0803 -0.0238 -0.0591 50 ASN A ND2 260 N N . PHE A 35 ? 0.3358 0.3811 0.2186 0.0487 -0.0275 -0.0510 51 PHE A N 261 C CA . PHE A 35 ? 0.3205 0.3762 0.2154 0.0454 -0.0245 -0.0461 51 PHE A CA 262 C C . PHE A 35 ? 0.3018 0.3596 0.2016 0.0376 -0.0256 -0.0442 51 PHE A C 263 O O . PHE A 35 ? 0.3065 0.3667 0.2036 0.0367 -0.0261 -0.0447 51 PHE A O 264 C CB . PHE A 35 ? 0.3220 0.3911 0.2219 0.0497 -0.0192 -0.0429 51 PHE A CB 265 C CG . PHE A 35 ? 0.3433 0.4144 0.2415 0.0576 -0.0171 -0.0437 51 PHE A CG 266 C CD1 . PHE A 35 ? 0.3527 0.4276 0.2579 0.0581 -0.0162 -0.0418 51 PHE A CD1 267 C CD2 . PHE A 35 ? 0.3591 0.4289 0.2482 0.0650 -0.0161 -0.0464 51 PHE A CD2 268 C CE1 . PHE A 35 ? 0.3426 0.4213 0.2468 0.0662 -0.0143 -0.0424 51 PHE A CE1 269 C CE2 . PHE A 35 ? 0.3728 0.4455 0.2605 0.0730 -0.0138 -0.0470 51 PHE A CE2 270 C CZ . PHE A 35 ? 0.3541 0.4316 0.2496 0.0737 -0.0130 -0.0450 51 PHE A CZ 271 N N . VAL A 36 ? 0.2830 0.3408 0.1899 0.0326 -0.0258 -0.0419 52 VAL A N 272 C CA . VAL A 36 ? 0.2710 0.3343 0.1849 0.0263 -0.0250 -0.0386 52 VAL A CA 273 C C . VAL A 36 ? 0.2582 0.3308 0.1810 0.0254 -0.0208 -0.0340 52 VAL A C 274 O O . VAL A 36 ? 0.2700 0.3441 0.1958 0.0272 -0.0195 -0.0332 52 VAL A O 275 C CB . VAL A 36 ? 0.2597 0.3153 0.1743 0.0195 -0.0286 -0.0394 52 VAL A CB 276 C CG1 . VAL A 36 ? 0.2739 0.3202 0.1795 0.0188 -0.0329 -0.0440 52 VAL A CG1 277 C CG2 . VAL A 36 ? 0.2506 0.3016 0.1683 0.0178 -0.0288 -0.0383 52 VAL A CG2 278 N N . MET A 37 ? 0.2534 0.3314 0.1800 0.0222 -0.0191 -0.0312 53 MET A N 279 C CA . MET A 37 ? 0.2504 0.3340 0.1843 0.0198 -0.0157 -0.0271 53 MET A CA 280 C C . MET A 37 ? 0.2277 0.3090 0.1652 0.0139 -0.0165 -0.0254 53 MET A C 281 O O . MET A 37 ? 0.2174 0.2975 0.1530 0.0120 -0.0183 -0.0260 53 MET A O 282 C CB . MET A 37 ? 0.2628 0.3545 0.1973 0.0224 -0.0112 -0.0244 53 MET A CB 283 C CG . MET A 37 ? 0.2669 0.3603 0.1994 0.0216 -0.0105 -0.0231 53 MET A CG 284 S SD . MET A 37 ? 0.2993 0.4005 0.2317 0.0244 -0.0044 -0.0191 53 MET A SD 285 C CE . MET A 37 ? 0.2894 0.3895 0.2183 0.0235 -0.0062 -0.0185 53 MET A CE 286 N N . SER A 38 ? 0.2188 0.3009 0.1616 0.0113 -0.0150 -0.0230 54 SER A N 287 C CA . SER A 38 ? 0.2073 0.2867 0.1532 0.0061 -0.0154 -0.0213 54 SER A CA 288 C C . SER A 38 ? 0.2032 0.2861 0.1537 0.0045 -0.0122 -0.0181 54 SER A C 289 O O . SER A 38 ? 0.1953 0.2838 0.1471 0.0067 -0.0094 -0.0170 54 SER A O 290 C CB . SER A 38 ? 0.2212 0.2926 0.1659 0.0039 -0.0191 -0.0234 54 SER A CB 291 O OG . SER A 38 ? 0.2021 0.2707 0.1485 -0.0007 -0.0196 -0.0222 54 SER A OG 292 N N . ALA A 39 ? 0.1866 0.2661 0.1392 0.0002 -0.0123 -0.0167 55 ALA A N 293 C CA . ALA A 39 ? 0.1881 0.2692 0.1442 -0.0021 -0.0097 -0.0140 55 ALA A CA 294 C C . ALA A 39 ? 0.1873 0.2674 0.1455 -0.0027 -0.0116 -0.0150 55 ALA A C 295 O O . ALA A 39 ? 0.1800 0.2548 0.1365 -0.0027 -0.0147 -0.0168 55 ALA A O 296 C CB . ALA A 39 ? 0.1893 0.2666 0.1453 -0.0058 -0.0089 -0.0120 55 ALA A CB 297 N N . ALA A 40 ? 0.1996 0.2848 0.1613 -0.0032 -0.0096 -0.0136 56 ALA A N 298 C CA . ALA A 40 ? 0.2023 0.2881 0.1666 -0.0037 -0.0115 -0.0142 56 ALA A CA 299 C C . ALA A 40 ? 0.2048 0.2832 0.1681 -0.0075 -0.0134 -0.0139 56 ALA A C 300 O O . ALA A 40 ? 0.2058 0.2815 0.1688 -0.0070 -0.0163 -0.0151 56 ALA A O 301 C CB . ALA A 40 ? 0.2085 0.3028 0.1777 -0.0050 -0.0088 -0.0124 56 ALA A CB 302 N N . HIS A 41 ? 0.2010 0.2759 0.1633 -0.0109 -0.0117 -0.0121 57 HIS A N 303 C CA . HIS A 41 ? 0.2099 0.2778 0.1707 -0.0142 -0.0132 -0.0118 57 HIS A CA 304 C C . HIS A 41 ? 0.2114 0.2733 0.1691 -0.0132 -0.0161 -0.0136 57 HIS A C 305 O O . HIS A 41 ? 0.2221 0.2780 0.1780 -0.0150 -0.0180 -0.0138 57 HIS A O 306 C CB . HIS A 41 ? 0.2043 0.2691 0.1638 -0.0175 -0.0103 -0.0095 57 HIS A CB 307 C CG . HIS A 41 ? 0.2082 0.2712 0.1655 -0.0167 -0.0093 -0.0090 57 HIS A CG 308 N ND1 . HIS A 41 ? 0.2016 0.2684 0.1587 -0.0148 -0.0068 -0.0080 57 HIS A ND1 309 C CD2 . HIS A 41 ? 0.2040 0.2626 0.1595 -0.0176 -0.0103 -0.0092 57 HIS A CD2 310 C CE1 . HIS A 41 ? 0.1953 0.2605 0.1506 -0.0145 -0.0066 -0.0075 57 HIS A CE1 311 N NE2 . HIS A 41 ? 0.1943 0.2552 0.1493 -0.0164 -0.0085 -0.0082 57 HIS A NE2 312 N N . CYS A 42 ? 0.2057 0.2690 0.1622 -0.0105 -0.0166 -0.0151 58 CYS A N 313 C CA . CYS A 42 ? 0.2211 0.2781 0.1741 -0.0104 -0.0194 -0.0170 58 CYS A CA 314 C C . CYS A 42 ? 0.2262 0.2793 0.1773 -0.0082 -0.0222 -0.0187 58 CYS A C 315 O O . CYS A 42 ? 0.2288 0.2744 0.1765 -0.0094 -0.0242 -0.0196 58 CYS A O 316 C CB . CYS A 42 ? 0.2160 0.2748 0.1672 -0.0083 -0.0198 -0.0187 58 CYS A CB 317 S SG . CYS A 42 ? 0.2206 0.2823 0.1728 -0.0105 -0.0177 -0.0169 58 CYS A SG 318 N N . VAL A 43 ? 0.2454 0.3040 0.1985 -0.0048 -0.0222 -0.0192 59 VAL A N 319 C CA . VAL A 43 ? 0.2649 0.3206 0.2157 -0.0011 -0.0248 -0.0208 59 VAL A CA 320 C C . VAL A 43 ? 0.2752 0.3343 0.2290 -0.0009 -0.0256 -0.0198 59 VAL A C 321 O O . VAL A 43 ? 0.2725 0.3290 0.2240 0.0024 -0.0280 -0.0209 59 VAL A O 322 C CB . VAL A 43 ? 0.2798 0.3387 0.2292 0.0042 -0.0250 -0.0228 59 VAL A CB 323 C CG1 . VAL A 43 ? 0.2947 0.3487 0.2398 0.0037 -0.0253 -0.0244 59 VAL A CG1 324 C CG2 . VAL A 43 ? 0.2845 0.3552 0.2392 0.0061 -0.0221 -0.0217 59 VAL A CG2 325 N N . ALA A 44 ? 0.2884 0.3529 0.2465 -0.0044 -0.0236 -0.0178 60 ALA A N 326 C CA . ALA A 44 ? 0.3124 0.3808 0.2736 -0.0054 -0.0247 -0.0169 60 ALA A CA 327 C C . ALA A 44 ? 0.3449 0.4064 0.3023 -0.0041 -0.0284 -0.0176 60 ALA A C 328 O O . ALA A 44 ? 0.4122 0.4782 0.3709 -0.0005 -0.0305 -0.0182 60 ALA A O 329 C CB . ALA A 44 ? 0.2909 0.3600 0.2541 -0.0111 -0.0226 -0.0149 60 ALA A CB 330 N N . ASN A 45 ? 0.3566 0.4076 0.3089 -0.0063 -0.0292 -0.0175 61 ASN A N 331 C CA . ASN A 45 ? 0.3549 0.3990 0.3028 -0.0050 -0.0324 -0.0177 61 ASN A CA 332 C C . ASN A 45 ? 0.3561 0.3890 0.2971 -0.0034 -0.0337 -0.0188 61 ASN A C 333 O O . ASN A 45 ? 0.3512 0.3744 0.2868 -0.0048 -0.0351 -0.0182 61 ASN A O 334 C CB . ASN A 45 ? 0.3808 0.4206 0.3274 -0.0103 -0.0319 -0.0161 61 ASN A CB 335 C CG . ASN A 45 ? 0.3824 0.4311 0.3344 -0.0127 -0.0311 -0.0152 61 ASN A CG 336 O OD1 . ASN A 45 ? 0.3636 0.4195 0.3186 -0.0106 -0.0331 -0.0156 61 ASN A OD1 337 N ND2 . ASN A 45 ? 0.3771 0.4256 0.3301 -0.0170 -0.0281 -0.0140 61 ASN A ND2 338 N N . VAL A 46 ? 0.3378 0.3711 0.2784 -0.0013 -0.0329 -0.0203 62 VAL A N 339 C CA . VAL A 46 ? 0.3418 0.3642 0.2758 -0.0011 -0.0340 -0.0216 62 VAL A CA 340 C C . VAL A 46 ? 0.3405 0.3581 0.2695 0.0051 -0.0366 -0.0232 62 VAL A C 341 O O . VAL A 46 ? 0.3083 0.3346 0.2407 0.0099 -0.0369 -0.0235 62 VAL A O 342 C CB . VAL A 46 ? 0.3573 0.3831 0.2931 -0.0023 -0.0321 -0.0225 62 VAL A CB 343 C CG1 . VAL A 46 ? 0.3527 0.3790 0.2861 0.0030 -0.0329 -0.0250 62 VAL A CG1 344 C CG2 . VAL A 46 ? 0.3714 0.3906 0.3048 -0.0076 -0.0316 -0.0223 62 VAL A CG2 345 N N . ASN A 47 ? 0.3857 0.3895 0.3063 0.0054 -0.0382 -0.0242 63 ASN A N 346 C CA . ASN A 47 ? 0.4526 0.4503 0.3667 0.0125 -0.0403 -0.0261 63 ASN A CA 347 C C . ASN A 47 ? 0.4438 0.4407 0.3560 0.0141 -0.0397 -0.0286 63 ASN A C 348 O O . ASN A 47 ? 0.4360 0.4230 0.3432 0.0099 -0.0399 -0.0297 63 ASN A O 349 C CB . ASN A 47 ? 0.5286 0.5083 0.4317 0.0127 -0.0425 -0.0263 63 ASN A CB 350 C CG . ASN A 47 ? 0.5577 0.5303 0.4531 0.0215 -0.0446 -0.0281 63 ASN A CG 351 O OD1 . ASN A 47 ? 0.5909 0.5723 0.4890 0.0282 -0.0446 -0.0294 63 ASN A OD1 352 N ND2 . ASN A 47 ? 0.6404 0.5964 0.5254 0.0219 -0.0462 -0.0280 63 ASN A ND2 353 N N . VAL A 48 ? 0.4220 0.4285 0.3373 0.0202 -0.0392 -0.0296 64 VAL A N 354 C CA . VAL A 48 ? 0.4740 0.4826 0.3887 0.0213 -0.0381 -0.0316 64 VAL A CA 355 C C . VAL A 48 ? 0.5145 0.5081 0.4178 0.0252 -0.0401 -0.0346 64 VAL A C 356 O O . VAL A 48 ? 0.5618 0.5514 0.4617 0.0232 -0.0400 -0.0367 64 VAL A O 357 C CB . VAL A 48 ? 0.4949 0.5197 0.4171 0.0256 -0.0359 -0.0314 64 VAL A CB 358 C CG1 . VAL A 48 ? 0.4701 0.5075 0.4019 0.0226 -0.0345 -0.0285 64 VAL A CG1 359 C CG2 . VAL A 48 ? 0.5080 0.5332 0.4264 0.0349 -0.0368 -0.0330 64 VAL A CG2 360 N N . ARG A 49 ? 0.5121 0.4973 0.4089 0.0308 -0.0420 -0.0348 65 ARG A N 361 C CA . ARG A 49 ? 0.5337 0.5009 0.4173 0.0347 -0.0440 -0.0375 65 ARG A CA 362 C C . ARG A 49 ? 0.5131 0.4661 0.3906 0.0263 -0.0448 -0.0383 65 ARG A C 363 O O . ARG A 49 ? 0.5697 0.5093 0.4373 0.0272 -0.0460 -0.0411 65 ARG A O 364 C CB . ARG A 49 ? 0.5271 0.4863 0.4041 0.0419 -0.0460 -0.0368 65 ARG A CB 365 C CG . ARG A 49 ? 0.5387 0.4821 0.4084 0.0376 -0.0476 -0.0353 65 ARG A CG 366 C CD . ARG A 49 ? 0.5483 0.4852 0.4112 0.0463 -0.0495 -0.0345 65 ARG A CD 367 N NE . ARG A 49 ? 0.5362 0.4917 0.4095 0.0504 -0.0496 -0.0325 65 ARG A NE 368 C CZ . ARG A 49 ? 0.5423 0.5004 0.4134 0.0602 -0.0512 -0.0322 65 ARG A CZ 369 N NH1 . ARG A 49 ? 0.5605 0.5022 0.4183 0.0678 -0.0526 -0.0336 65 ARG A NH1 370 N NH2 . ARG A 49 ? 0.5311 0.5080 0.4130 0.0624 -0.0513 -0.0305 65 ARG A NH2 371 N N . ALA A 50 ? 0.4849 0.4406 0.3679 0.0184 -0.0440 -0.0359 66 ALA A N 372 C CA . ALA A 50 ? 0.4951 0.4409 0.3747 0.0096 -0.0442 -0.0360 66 ALA A CA 373 C C . ALA A 50 ? 0.4705 0.4256 0.3569 0.0033 -0.0429 -0.0365 66 ALA A C 374 O O . ALA A 50 ? 0.4661 0.4142 0.3498 -0.0036 -0.0434 -0.0371 66 ALA A O 375 C CB . ALA A 50 ? 0.4973 0.4410 0.3786 0.0052 -0.0438 -0.0328 66 ALA A CB 376 N N . VAL A 51 ? 0.4505 0.4215 0.3454 0.0056 -0.0413 -0.0362 68 VAL A N 377 C CA . VAL A 51 ? 0.3983 0.3783 0.2989 0.0010 -0.0401 -0.0364 68 VAL A CA 378 C C . VAL A 51 ? 0.3971 0.3693 0.2902 0.0007 -0.0420 -0.0402 68 VAL A C 379 O O . VAL A 51 ? 0.3878 0.3545 0.2741 0.0072 -0.0430 -0.0427 68 VAL A O 380 C CB . VAL A 51 ? 0.3928 0.3893 0.3022 0.0043 -0.0378 -0.0350 68 VAL A CB 381 C CG1 . VAL A 51 ? 0.3803 0.3849 0.2933 0.0014 -0.0368 -0.0357 68 VAL A CG1 382 C CG2 . VAL A 51 ? 0.3902 0.3929 0.3065 0.0019 -0.0363 -0.0315 68 VAL A CG2 383 N N . ARG A 52 ? 0.3783 0.3496 0.2721 -0.0067 -0.0425 -0.0408 69 ARG A N 384 C CA . ARG A 52 ? 0.4077 0.3750 0.2959 -0.0079 -0.0445 -0.0446 69 ARG A CA 385 C C . ARG A 52 ? 0.3609 0.3435 0.2566 -0.0088 -0.0434 -0.0443 69 ARG A C 386 O O . ARG A 52 ? 0.3490 0.3412 0.2529 -0.0131 -0.0418 -0.0416 69 ARG A O 387 C CB . ARG A 52 ? 0.4519 0.4070 0.3347 -0.0161 -0.0464 -0.0458 69 ARG A CB 388 C CG . ARG A 52 ? 0.5446 0.4811 0.4169 -0.0147 -0.0476 -0.0464 69 ARG A CG 389 C CD . ARG A 52 ? 0.6575 0.5795 0.5224 -0.0233 -0.0495 -0.0481 69 ARG A CD 390 N NE . ARG A 52 ? 0.7775 0.6782 0.6284 -0.0201 -0.0511 -0.0499 69 ARG A NE 391 C CZ . ARG A 52 ? 0.8490 0.7368 0.6946 -0.0218 -0.0507 -0.0477 69 ARG A CZ 392 N NH1 . ARG A 52 ? 0.8219 0.7159 0.6750 -0.0271 -0.0487 -0.0438 69 ARG A NH1 393 N NH2 . ARG A 52 ? 0.8865 0.7543 0.7181 -0.0176 -0.0521 -0.0495 69 ARG A NH2 394 N N . VAL A 53 ? 0.3569 0.3411 0.2488 -0.0043 -0.0441 -0.0471 70 VAL A N 395 C CA . VAL A 53 ? 0.3379 0.3362 0.2353 -0.0036 -0.0430 -0.0468 70 VAL A CA 396 C C . VAL A 53 ? 0.3614 0.3558 0.2541 -0.0086 -0.0462 -0.0502 70 VAL A C 397 O O . VAL A 53 ? 0.3427 0.3259 0.2249 -0.0066 -0.0487 -0.0544 70 VAL A O 398 C CB . VAL A 53 ? 0.3406 0.3434 0.2361 0.0050 -0.0417 -0.0478 70 VAL A CB 399 C CG1 . VAL A 53 ? 0.3467 0.3626 0.2463 0.0059 -0.0403 -0.0473 70 VAL A CG1 400 C CG2 . VAL A 53 ? 0.3348 0.3412 0.2347 0.0097 -0.0391 -0.0449 70 VAL A CG2 401 N N . VAL A 54 ? 0.3540 0.3574 0.2538 -0.0148 -0.0461 -0.0486 71 VAL A N 402 C CA . VAL A 54 ? 0.3773 0.3792 0.2746 -0.0214 -0.0494 -0.0514 71 VAL A CA 403 C C . VAL A 54 ? 0.3700 0.3850 0.2699 -0.0198 -0.0500 -0.0522 71 VAL A C 404 O O . VAL A 54 ? 0.3512 0.3796 0.2598 -0.0202 -0.0480 -0.0490 71 VAL A O 405 C CB . VAL A 54 ? 0.3694 0.3719 0.2722 -0.0302 -0.0493 -0.0492 71 VAL A CB 406 C CG1 . VAL A 54 ? 0.3793 0.3838 0.2816 -0.0376 -0.0527 -0.0519 71 VAL A CG1 407 C CG2 . VAL A 54 ? 0.3801 0.3675 0.2780 -0.0320 -0.0491 -0.0488 71 VAL A CG2 408 N N . LEU A 55 ? 0.3873 0.3974 0.2786 -0.0172 -0.0527 -0.0565 72 LEU A N 409 C CA . LEU A 55 ? 0.3822 0.4028 0.2736 -0.0152 -0.0538 -0.0577 72 LEU A CA 410 C C . LEU A 55 ? 0.3833 0.4057 0.2744 -0.0236 -0.0583 -0.0604 72 LEU A C 411 O O . LEU A 55 ? 0.3924 0.4044 0.2802 -0.0302 -0.0606 -0.0624 72 LEU A O 412 C CB . LEU A 55 ? 0.4025 0.4165 0.2837 -0.0077 -0.0544 -0.0611 72 LEU A CB 413 C CG . LEU A 55 ? 0.4055 0.4149 0.2845 0.0002 -0.0510 -0.0599 72 LEU A CG 414 C CD1 . LEU A 55 ? 0.4064 0.4125 0.2754 0.0077 -0.0515 -0.0634 72 LEU A CD1 415 C CD2 . LEU A 55 ? 0.3935 0.4160 0.2830 0.0028 -0.0465 -0.0546 72 LEU A CD2 416 N N . GLY A 56 ? 0.3710 0.4068 0.2657 -0.0234 -0.0594 -0.0603 73 GLY A N 417 C CA . GLY A 56 ? 0.3889 0.4278 0.2827 -0.0304 -0.0642 -0.0635 73 GLY A CA 418 C C . GLY A 56 ? 0.3856 0.4308 0.2890 -0.0393 -0.0643 -0.0612 73 GLY A C 419 O O . GLY A 56 ? 0.4036 0.4499 0.3068 -0.0474 -0.0685 -0.0640 73 GLY A O 420 N N . ALA A 57 ? 0.3430 0.3927 0.2547 -0.0384 -0.0598 -0.0562 74 ALA A N 421 C CA . ALA A 57 ? 0.3430 0.3981 0.2632 -0.0463 -0.0592 -0.0536 74 ALA A CA 422 C C . ALA A 57 ? 0.3196 0.3943 0.2494 -0.0466 -0.0589 -0.0511 74 ALA A C 423 O O . ALA A 57 ? 0.3015 0.3849 0.2323 -0.0394 -0.0576 -0.0497 74 ALA A O 424 C CB . ALA A 57 ? 0.3331 0.3825 0.2564 -0.0454 -0.0547 -0.0497 74 ALA A CB 425 N N . HIS A 58 ? 0.3359 0.4175 0.2724 -0.0545 -0.0599 -0.0504 75 HIS A N 426 C CA . HIS A 58 ? 0.3381 0.4395 0.2850 -0.0542 -0.0588 -0.0471 75 HIS A CA 427 C C . HIS A 58 ? 0.3383 0.4432 0.2934 -0.0594 -0.0556 -0.0434 75 HIS A C 428 O O . HIS A 58 ? 0.3342 0.4460 0.2950 -0.0550 -0.0513 -0.0389 75 HIS A O 429 C CB . HIS A 58 ? 0.3412 0.4546 0.2896 -0.0580 -0.0641 -0.0503 75 HIS A CB 430 C CG . HIS A 58 ? 0.3469 0.4810 0.3050 -0.0556 -0.0631 -0.0469 75 HIS A CG 431 N ND1 . HIS A 58 ? 0.3728 0.5212 0.3396 -0.0626 -0.0650 -0.0466 75 HIS A ND1 432 C CD2 . HIS A 58 ? 0.3596 0.5026 0.3199 -0.0466 -0.0603 -0.0434 75 HIS A CD2 433 C CE1 . HIS A 58 ? 0.3745 0.5401 0.3486 -0.0572 -0.0634 -0.0430 75 HIS A CE1 434 N NE2 . HIS A 58 ? 0.3944 0.5560 0.3639 -0.0474 -0.0605 -0.0411 75 HIS A NE2 435 N N . ASN A 59 ? 0.3414 0.4413 0.2966 -0.0690 -0.0575 -0.0452 76 ASN A N 436 C CA . ASN A 59 ? 0.3271 0.4295 0.2890 -0.0747 -0.0545 -0.0419 76 ASN A CA 437 C C . ASN A 59 ? 0.3520 0.4343 0.3070 -0.0768 -0.0526 -0.0419 76 ASN A C 438 O O . ASN A 59 ? 0.3436 0.4127 0.2919 -0.0836 -0.0554 -0.0452 76 ASN A O 439 C CB . ASN A 59 ? 0.3455 0.4579 0.3127 -0.0847 -0.0576 -0.0436 76 ASN A CB 440 C CG . ASN A 59 ? 0.3435 0.4616 0.3188 -0.0905 -0.0539 -0.0398 76 ASN A CG 441 O OD1 . ASN A 59 ? 0.3451 0.4515 0.3182 -0.0903 -0.0499 -0.0372 76 ASN A OD1 442 N ND2 . ASN A 59 ? 0.3389 0.4762 0.3238 -0.0954 -0.0552 -0.0392 76 ASN A ND2 443 N N . LEU A 60 ? 0.3446 0.4242 0.3010 -0.0717 -0.0479 -0.0379 77 LEU A N 444 C CA . LEU A 60 ? 0.3878 0.4483 0.3368 -0.0718 -0.0464 -0.0378 77 LEU A CA 445 C C . LEU A 60 ? 0.4217 0.4744 0.3701 -0.0813 -0.0460 -0.0374 77 LEU A C 446 O O . LEU A 60 ? 0.4437 0.4790 0.3835 -0.0827 -0.0466 -0.0388 77 LEU A O 447 C CB . LEU A 60 ? 0.3595 0.4182 0.3093 -0.0644 -0.0422 -0.0341 77 LEU A CB 448 C CG . LEU A 60 ? 0.3526 0.4167 0.3023 -0.0554 -0.0417 -0.0340 77 LEU A CG 449 C CD1 . LEU A 60 ? 0.3637 0.4258 0.3149 -0.0506 -0.0373 -0.0301 77 LEU A CD1 450 C CD2 . LEU A 60 ? 0.3805 0.4334 0.3212 -0.0525 -0.0446 -0.0379 77 LEU A CD2 451 N N . SER A 61 ? 0.4646 0.5305 0.4215 -0.0877 -0.0451 -0.0355 78 SER A N 452 C CA . SER A 61 ? 0.5059 0.5657 0.4628 -0.0973 -0.0440 -0.0346 78 SER A CA 453 C C . SER A 61 ? 0.5396 0.5932 0.4920 -0.1067 -0.0486 -0.0390 78 SER A C 454 O O . SER A 61 ? 0.6005 0.6498 0.5530 -0.1159 -0.0478 -0.0384 78 SER A O 455 C CB . SER A 61 ? 0.4980 0.5765 0.4667 -0.1002 -0.0406 -0.0307 78 SER A CB 456 O OG . SER A 61 ? 0.4881 0.5841 0.4637 -0.1027 -0.0438 -0.0325 78 SER A OG 457 N N . ARG A 62 ? 0.5624 0.6142 0.5100 -0.1044 -0.0531 -0.0434 79 ARG A N 458 C CA . ARG A 62 ? 0.6272 0.6727 0.5692 -0.1127 -0.0582 -0.0484 79 ARG A CA 459 C C . ARG A 62 ? 0.6341 0.6563 0.5613 -0.1094 -0.0605 -0.0522 79 ARG A C 460 O O . ARG A 62 ? 0.6049 0.6225 0.5283 -0.0993 -0.0593 -0.0518 79 ARG A O 461 C CB . ARG A 62 ? 0.6758 0.7399 0.6235 -0.1110 -0.0620 -0.0507 79 ARG A CB 462 C CG . ARG A 62 ? 0.7849 0.8513 0.7313 -0.1208 -0.0676 -0.0554 79 ARG A CG 463 C CD . ARG A 62 ? 0.8474 0.9419 0.8078 -0.1232 -0.0687 -0.0542 79 ARG A CD 464 N NE . ARG A 62 ? 0.9296 1.0346 0.9006 -0.1260 -0.0634 -0.0487 79 ARG A NE 465 C CZ . ARG A 62 ? 0.9752 1.1040 0.9593 -0.1294 -0.0629 -0.0465 79 ARG A CZ 466 N NH1 . ARG A 62 ? 0.9964 1.1425 0.9855 -0.1303 -0.0677 -0.0491 79 ARG A NH1 467 N NH2 . ARG A 62 ? 0.9546 1.0904 0.9467 -0.1313 -0.0575 -0.0416 79 ARG A NH2 468 N N . ARG A 63 ? 0.6667 0.6755 0.5855 -0.1178 -0.0642 -0.0563 80 ARG A N 469 C CA . ARG A 63 ? 0.6992 0.6867 0.6029 -0.1145 -0.0671 -0.0608 80 ARG A CA 470 C C . ARG A 63 ? 0.6255 0.6236 0.5293 -0.1113 -0.0715 -0.0648 80 ARG A C 471 O O . ARG A 63 ? 0.6414 0.6531 0.5511 -0.1187 -0.0748 -0.0667 80 ARG A O 472 C CB . ARG A 63 ? 0.8100 0.7764 0.7030 -0.1252 -0.0690 -0.0635 80 ARG A CB 473 C CG . ARG A 63 ? 0.9265 0.8653 0.8026 -0.1196 -0.0693 -0.0657 80 ARG A CG 474 C CD . ARG A 63 ? 1.0238 0.9397 0.8870 -0.1303 -0.0718 -0.0692 80 ARG A CD 475 N NE . ARG A 63 ? 1.1046 1.0271 0.9682 -0.1388 -0.0771 -0.0742 80 ARG A NE 476 C CZ . ARG A 63 ? 1.1136 1.0488 0.9861 -0.1518 -0.0784 -0.0741 80 ARG A CZ 477 N NH1 . ARG A 63 ? 1.0454 0.9882 0.9275 -0.1586 -0.0743 -0.0692 80 ARG A NH1 478 N NH2 . ARG A 63 ? 1.1518 1.0935 1.0238 -0.1580 -0.0840 -0.0792 80 ARG A NH2 479 N N . GLU A 64 ? 0.5524 0.5463 0.4505 -0.1002 -0.0716 -0.0660 81 GLU A N 480 C CA . GLU A 64 ? 0.5460 0.5524 0.4451 -0.0961 -0.0749 -0.0688 81 GLU A CA 481 C C . GLU A 64 ? 0.5886 0.5761 0.4720 -0.0914 -0.0778 -0.0740 81 GLU A C 482 O O . GLU A 64 ? 0.5770 0.5549 0.4548 -0.0820 -0.0752 -0.0730 81 GLU A O 483 C CB . GLU A 64 ? 0.5058 0.5296 0.4144 -0.0861 -0.0714 -0.0646 81 GLU A CB 484 C CG . GLU A 64 ? 0.4552 0.5021 0.3791 -0.0890 -0.0695 -0.0604 81 GLU A CG 485 C CD . GLU A 64 ? 0.4150 0.4764 0.3451 -0.0786 -0.0668 -0.0572 81 GLU A CD 486 O OE1 . GLU A 64 ? 0.4045 0.4575 0.3305 -0.0703 -0.0637 -0.0556 81 GLU A OE1 487 O OE2 . GLU A 64 ? 0.3633 0.4442 0.3019 -0.0782 -0.0676 -0.0560 81 GLU A OE2 488 N N . PRO A 65 ? 0.6570 0.6390 0.5328 -0.0978 -0.0833 -0.0796 82 PRO A N 489 C CA . PRO A 65 ? 0.6465 0.6095 0.5058 -0.0927 -0.0861 -0.0849 82 PRO A CA 490 C C . PRO A 65 ? 0.6146 0.5854 0.4724 -0.0800 -0.0856 -0.0853 82 PRO A C 491 O O . PRO A 65 ? 0.6113 0.5669 0.4567 -0.0725 -0.0857 -0.0880 82 PRO A O 492 C CB . PRO A 65 ? 0.7057 0.6653 0.5593 -0.1038 -0.0924 -0.0906 82 PRO A CB 493 C CG . PRO A 65 ? 0.7000 0.6704 0.5655 -0.1163 -0.0921 -0.0880 82 PRO A CG 494 C CD . PRO A 65 ? 0.6700 0.6620 0.5514 -0.1105 -0.0872 -0.0816 82 PRO A CD 495 N N . THR A 66 ? 0.5706 0.5646 0.4403 -0.0770 -0.0849 -0.0826 83 THR A N 496 C CA . THR A 66 ? 0.5690 0.5701 0.4376 -0.0650 -0.0835 -0.0821 83 THR A CA 497 C C . THR A 66 ? 0.5701 0.5655 0.4384 -0.0547 -0.0777 -0.0782 83 THR A C 498 O O . THR A 66 ? 0.5576 0.5580 0.4243 -0.0448 -0.0760 -0.0776 83 THR A O 499 C CB . THR A 66 ? 0.5709 0.5976 0.4529 -0.0639 -0.0830 -0.0787 83 THR A CB 500 O OG1 . THR A 66 ? 0.5147 0.5502 0.4092 -0.0656 -0.0785 -0.0729 83 THR A OG1 501 C CG2 . THR A 66 ? 0.5623 0.5991 0.4459 -0.0728 -0.0892 -0.0825 83 THR A CG2 502 N N . ARG A 67 ? 0.5245 0.5105 0.3942 -0.0570 -0.0748 -0.0754 84 ARG A N 503 C CA . ARG A 67 ? 0.5305 0.5140 0.4017 -0.0482 -0.0698 -0.0716 84 ARG A CA 504 C C . ARG A 67 ? 0.5311 0.4966 0.3887 -0.0409 -0.0698 -0.0746 84 ARG A C 505 O O . ARG A 67 ? 0.5599 0.5089 0.4058 -0.0443 -0.0731 -0.0791 84 ARG A O 506 C CB . ARG A 67 ? 0.5190 0.4996 0.3964 -0.0527 -0.0668 -0.0674 84 ARG A CB 507 C CG . ARG A 67 ? 0.5118 0.5112 0.4033 -0.0575 -0.0652 -0.0634 84 ARG A CG 508 C CD . ARG A 67 ? 0.5285 0.5234 0.4242 -0.0616 -0.0621 -0.0596 84 ARG A CD 509 N NE . ARG A 67 ? 0.5303 0.5431 0.4386 -0.0659 -0.0607 -0.0562 84 ARG A NE 510 C CZ . ARG A 67 ? 0.5705 0.5848 0.4849 -0.0709 -0.0580 -0.0526 84 ARG A CZ 511 N NH1 . ARG A 67 ? 0.6575 0.6557 0.5662 -0.0723 -0.0566 -0.0519 84 ARG A NH1 512 N NH2 . ARG A 67 ? 0.5550 0.5868 0.4808 -0.0738 -0.0565 -0.0497 84 ARG A NH2 513 N N . GLN A 68 ? 0.5015 0.4709 0.3609 -0.0309 -0.0661 -0.0721 85 GLN A N 514 C CA . GLN A 68 ? 0.5024 0.4579 0.3514 -0.0226 -0.0651 -0.0736 85 GLN A CA 515 C C . GLN A 68 ? 0.4992 0.4576 0.3555 -0.0184 -0.0605 -0.0685 85 GLN A C 516 O O . GLN A 68 ? 0.4561 0.4305 0.3237 -0.0168 -0.0576 -0.0645 85 GLN A O 517 C CB . GLN A 68 ? 0.5025 0.4635 0.3472 -0.0140 -0.0650 -0.0757 85 GLN A CB 518 C CG . GLN A 68 ? 0.5245 0.4805 0.3594 -0.0166 -0.0697 -0.0813 85 GLN A CG 519 C CD . GLN A 68 ? 0.5148 0.4778 0.3458 -0.0076 -0.0690 -0.0826 85 GLN A CD 520 O OE1 . GLN A 68 ? 0.5335 0.4918 0.3591 0.0016 -0.0663 -0.0827 85 GLN A OE1 521 N NE2 . GLN A 68 ? 0.5354 0.5098 0.3685 -0.0101 -0.0714 -0.0838 85 GLN A NE2 522 N N . VAL A 69 ? 0.5037 0.4458 0.3526 -0.0166 -0.0602 -0.0689 86 VAL A N 523 C CA . VAL A 69 ? 0.5066 0.4497 0.3612 -0.0142 -0.0570 -0.0645 86 VAL A CA 524 C C . VAL A 69 ? 0.5001 0.4374 0.3484 -0.0030 -0.0554 -0.0649 86 VAL A C 525 O O . VAL A 69 ? 0.5215 0.4437 0.3571 0.0003 -0.0572 -0.0688 86 VAL A O 526 C CB . VAL A 69 ? 0.5327 0.4646 0.3862 -0.0228 -0.0577 -0.0634 86 VAL A CB 527 C CG1 . VAL A 69 ? 0.5377 0.4705 0.3966 -0.0202 -0.0546 -0.0587 86 VAL A CG1 528 C CG2 . VAL A 69 ? 0.5351 0.4781 0.3976 -0.0330 -0.0585 -0.0623 86 VAL A CG2 529 N N . PHE A 70 ? 0.4798 0.4308 0.3375 0.0026 -0.0519 -0.0611 87 PHE A N 530 C CA . PHE A 70 ? 0.4521 0.4021 0.3071 0.0132 -0.0498 -0.0606 87 PHE A CA 531 C C . PHE A 70 ? 0.4322 0.3860 0.2947 0.0140 -0.0477 -0.0562 87 PHE A C 532 O O . PHE A 70 ? 0.4007 0.3603 0.2715 0.0070 -0.0470 -0.0532 87 PHE A O 533 C CB . PHE A 70 ? 0.4489 0.4119 0.3063 0.0202 -0.0479 -0.0610 87 PHE A CB 534 C CG . PHE A 70 ? 0.4383 0.3954 0.2857 0.0208 -0.0504 -0.0658 87 PHE A CG 535 C CD1 . PHE A 70 ? 0.4358 0.4001 0.2864 0.0144 -0.0519 -0.0665 87 PHE A CD1 536 C CD2 . PHE A 70 ? 0.4670 0.4106 0.3012 0.0277 -0.0514 -0.0696 87 PHE A CD2 537 C CE1 . PHE A 70 ? 0.4456 0.4045 0.2868 0.0142 -0.0549 -0.0711 87 PHE A CE1 538 C CE2 . PHE A 70 ? 0.4810 0.4176 0.3046 0.0281 -0.0539 -0.0744 87 PHE A CE2 539 C CZ . PHE A 70 ? 0.4767 0.4215 0.3040 0.0209 -0.0558 -0.0752 87 PHE A CZ 540 N N . ALA A 71 ? 0.4373 0.3855 0.2948 0.0223 -0.0471 -0.0563 88 ALA A N 541 C CA . ALA A 71 ? 0.4357 0.3902 0.3003 0.0251 -0.0452 -0.0525 88 ALA A CA 542 C C . ALA A 71 ? 0.4263 0.3986 0.2993 0.0311 -0.0423 -0.0510 88 ALA A C 543 O O . ALA A 71 ? 0.4056 0.3830 0.2769 0.0345 -0.0416 -0.0529 88 ALA A O 544 C CB . ALA A 71 ? 0.4503 0.3895 0.3049 0.0312 -0.0464 -0.0533 88 ALA A CB 545 N N . VAL A 72 ? 0.4337 0.4154 0.3153 0.0323 -0.0406 -0.0474 89 VAL A N 546 C CA . VAL A 72 ? 0.4278 0.4270 0.3182 0.0370 -0.0376 -0.0455 89 VAL A CA 547 C C . VAL A 72 ? 0.4350 0.4329 0.3213 0.0470 -0.0374 -0.0462 89 VAL A C 548 O O . VAL A 72 ? 0.4374 0.4288 0.3214 0.0489 -0.0388 -0.0455 89 VAL A O 549 C CB . VAL A 72 ? 0.4218 0.4327 0.3240 0.0320 -0.0359 -0.0413 89 VAL A CB 550 C CG1 . VAL A 72 ? 0.4209 0.4489 0.3317 0.0365 -0.0328 -0.0393 89 VAL A CG1 551 C CG2 . VAL A 72 ? 0.4088 0.4211 0.3146 0.0232 -0.0358 -0.0404 89 VAL A CG2 552 N N . GLN A 73 ? 0.4416 0.4459 0.3265 0.0539 -0.0357 -0.0477 90 GLN A N 553 C CA . GLN A 73 ? 0.4551 0.4616 0.3376 0.0641 -0.0349 -0.0481 90 GLN A CA 554 C C . GLN A 73 ? 0.4282 0.4540 0.3236 0.0658 -0.0324 -0.0445 90 GLN A C 555 O O . GLN A 73 ? 0.4088 0.4360 0.3044 0.0716 -0.0329 -0.0439 90 GLN A O 556 C CB . GLN A 73 ? 0.4923 0.4993 0.3681 0.0712 -0.0335 -0.0510 90 GLN A CB 557 C CG . GLN A 73 ? 0.5286 0.5338 0.3985 0.0831 -0.0330 -0.0522 90 GLN A CG 558 C CD . GLN A 73 ? 0.5858 0.5813 0.4430 0.0889 -0.0329 -0.0564 90 GLN A CD 559 O OE1 . GLN A 73 ? 0.6193 0.6267 0.4788 0.0940 -0.0298 -0.0564 90 GLN A OE1 560 N NE2 . GLN A 73 ? 0.6048 0.5788 0.4486 0.0868 -0.0363 -0.0598 90 GLN A NE2 561 N N . ARG A 74 ? 0.4112 0.4516 0.3164 0.0614 -0.0296 -0.0423 91 ARG A N 562 C CA . ARG A 74 ? 0.4004 0.4576 0.3180 0.0602 -0.0274 -0.0388 91 ARG A CA 563 C C . ARG A 74 ? 0.3644 0.4303 0.2900 0.0521 -0.0252 -0.0365 91 ARG A C 564 O O . ARG A 74 ? 0.3483 0.4090 0.2702 0.0484 -0.0252 -0.0375 91 ARG A O 565 C CB . ARG A 74 ? 0.4329 0.5036 0.3536 0.0696 -0.0248 -0.0386 91 ARG A CB 566 C CG . ARG A 74 ? 0.4457 0.5214 0.3636 0.0742 -0.0216 -0.0400 91 ARG A CG 567 C CD . ARG A 74 ? 0.4557 0.5507 0.3814 0.0809 -0.0177 -0.0383 91 ARG A CD 568 N NE . ARG A 74 ? 0.4842 0.5934 0.4232 0.0730 -0.0160 -0.0344 91 ARG A NE 569 C CZ . ARG A 74 ? 0.4955 0.6236 0.4453 0.0737 -0.0127 -0.0318 91 ARG A CZ 570 N NH1 . ARG A 74 ? 0.5115 0.6499 0.4617 0.0827 -0.0100 -0.0322 91 ARG A NH1 571 N NH2 . ARG A 74 ? 0.4544 0.5910 0.4144 0.0648 -0.0119 -0.0287 91 ARG A NH2 572 N N . ILE A 75 ? 0.3423 0.4206 0.2783 0.0491 -0.0237 -0.0333 92 ILE A N 573 C CA . ILE A 75 ? 0.3504 0.4366 0.2935 0.0419 -0.0211 -0.0307 92 ILE A CA 574 C C . ILE A 75 ? 0.3136 0.4165 0.2647 0.0437 -0.0172 -0.0287 92 ILE A C 575 O O . ILE A 75 ? 0.3112 0.4222 0.2658 0.0486 -0.0170 -0.0285 92 ILE A O 576 C CB . ILE A 75 ? 0.3798 0.4629 0.3269 0.0338 -0.0225 -0.0287 92 ILE A CB 577 C CG1 . ILE A 75 ? 0.4342 0.5268 0.3892 0.0327 -0.0223 -0.0265 92 ILE A CG1 578 C CG2 . ILE A 75 ? 0.4081 0.4750 0.3476 0.0316 -0.0261 -0.0304 92 ILE A CG2 579 C CD1 . ILE A 75 ? 0.4730 0.5666 0.4268 0.0397 -0.0246 -0.0276 92 ILE A CD1 580 N N . PHE A 76 ? 0.2862 0.3939 0.2396 0.0400 -0.0140 -0.0271 93 PHE A N 581 C CA . PHE A 76 ? 0.2771 0.3998 0.2382 0.0396 -0.0097 -0.0245 93 PHE A CA 582 C C . PHE A 76 ? 0.2614 0.3852 0.2275 0.0308 -0.0084 -0.0217 93 PHE A C 583 O O . PHE A 76 ? 0.2240 0.3399 0.1864 0.0271 -0.0087 -0.0216 93 PHE A O 584 C CB . PHE A 76 ? 0.2871 0.4127 0.2439 0.0437 -0.0063 -0.0251 93 PHE A CB 585 C CG . PHE A 76 ? 0.2851 0.4092 0.2355 0.0532 -0.0068 -0.0281 93 PHE A CG 586 C CD1 . PHE A 76 ? 0.2949 0.4046 0.2347 0.0561 -0.0102 -0.0316 93 PHE A CD1 587 C CD2 . PHE A 76 ? 0.2952 0.4326 0.2498 0.0592 -0.0037 -0.0273 93 PHE A CD2 588 C CE1 . PHE A 76 ? 0.3051 0.4114 0.2371 0.0652 -0.0105 -0.0347 93 PHE A CE1 589 C CE2 . PHE A 76 ? 0.3032 0.4393 0.2511 0.0691 -0.0037 -0.0301 93 PHE A CE2 590 C CZ . PHE A 76 ? 0.3054 0.4247 0.2410 0.0724 -0.0071 -0.0339 93 PHE A CZ 591 N N . GLU A 77 ? 0.2555 0.3901 0.2300 0.0278 -0.0067 -0.0193 94 GLU A N 592 C CA . GLU A 77 ? 0.2666 0.4014 0.2454 0.0194 -0.0057 -0.0167 94 GLU A CA 593 C C . GLU A 77 ? 0.2493 0.3961 0.2335 0.0174 -0.0006 -0.0140 94 GLU A C 594 O O . GLU A 77 ? 0.2326 0.3898 0.2194 0.0222 0.0015 -0.0141 94 GLU A O 595 C CB . GLU A 77 ? 0.3126 0.4483 0.2957 0.0170 -0.0090 -0.0167 94 GLU A CB 596 C CG . GLU A 77 ? 0.3727 0.4971 0.3498 0.0205 -0.0138 -0.0193 94 GLU A CG 597 C CD . GLU A 77 ? 0.4308 0.5569 0.4113 0.0196 -0.0173 -0.0192 94 GLU A CD 598 O OE1 . GLU A 77 ? 0.4091 0.5374 0.3939 0.0133 -0.0173 -0.0175 94 GLU A OE1 599 O OE2 . GLU A 77 ? 0.5607 0.6854 0.5388 0.0258 -0.0201 -0.0209 94 GLU A OE2 600 N N . ASN A 78 ? 0.2345 0.3795 0.2200 0.0105 0.0015 -0.0116 96 ASN A N 601 C CA . ASN A 78 ? 0.2343 0.3882 0.2237 0.0075 0.0066 -0.0087 96 ASN A CA 602 C C . ASN A 78 ? 0.2193 0.3727 0.2125 -0.0012 0.0077 -0.0063 96 ASN A C 603 O O . ASN A 78 ? 0.2027 0.3518 0.1931 -0.0050 0.0112 -0.0040 96 ASN A O 604 C CB . ASN A 78 ? 0.2498 0.3996 0.2325 0.0101 0.0099 -0.0080 96 ASN A CB 605 C CG . ASN A 78 ? 0.2627 0.4214 0.2477 0.0087 0.0158 -0.0050 96 ASN A CG 606 O OD1 . ASN A 78 ? 0.3145 0.4683 0.2940 0.0083 0.0189 -0.0033 96 ASN A OD1 607 N ND2 . ASN A 78 ? 0.2474 0.4188 0.2400 0.0078 0.0176 -0.0041 96 ASN A ND2 608 N N . GLY A 79 ? 0.2049 0.3630 0.2039 -0.0040 0.0048 -0.0068 97 GLY A N 609 C CA . GLY A 79 ? 0.2065 0.3648 0.2092 -0.0128 0.0053 -0.0051 97 GLY A CA 610 C C . GLY A 79 ? 0.2025 0.3454 0.1989 -0.0169 0.0041 -0.0048 97 GLY A C 611 O O . GLY A 79 ? 0.2035 0.3420 0.1984 -0.0230 0.0069 -0.0026 97 GLY A O 612 N N . TYR A 80 ? 0.1919 0.3260 0.1836 -0.0132 0.0004 -0.0068 98 TYR A N 613 C CA . TYR A 80 ? 0.2062 0.3273 0.1927 -0.0166 -0.0008 -0.0066 98 TYR A CA 614 C C . TYR A 80 ? 0.1985 0.3186 0.1872 -0.0238 -0.0015 -0.0057 98 TYR A C 615 O O . TYR A 80 ? 0.2096 0.3363 0.2030 -0.0244 -0.0042 -0.0067 98 TYR A O 616 C CB . TYR A 80 ? 0.1998 0.3135 0.1823 -0.0124 -0.0049 -0.0090 98 TYR A CB 617 C CG . TYR A 80 ? 0.2086 0.3108 0.1867 -0.0157 -0.0064 -0.0088 98 TYR A CG 618 C CD1 . TYR A 80 ? 0.2133 0.3092 0.1878 -0.0183 -0.0036 -0.0071 98 TYR A CD1 619 C CD2 . TYR A 80 ? 0.2087 0.3060 0.1857 -0.0156 -0.0106 -0.0103 98 TYR A CD2 620 C CE1 . TYR A 80 ? 0.2118 0.2978 0.1821 -0.0203 -0.0046 -0.0069 98 TYR A CE1 621 C CE2 . TYR A 80 ? 0.2139 0.3008 0.1864 -0.0182 -0.0115 -0.0101 98 TYR A CE2 622 C CZ . TYR A 80 ? 0.2217 0.3036 0.1913 -0.0205 -0.0084 -0.0084 98 TYR A CZ 623 O OH . TYR A 80 ? 0.2301 0.3023 0.1953 -0.0228 -0.0087 -0.0079 98 TYR A OH 624 N N . ASP A 81 ? 0.2019 0.3145 0.1871 -0.0287 0.0010 -0.0039 99 ASP A N 625 C CA . ASP A 81 ? 0.2192 0.3289 0.2048 -0.0359 0.0007 -0.0032 99 ASP A CA 626 C C . ASP A 81 ? 0.2253 0.3198 0.2030 -0.0375 0.0008 -0.0028 99 ASP A C 627 O O . ASP A 81 ? 0.2257 0.3134 0.1987 -0.0395 0.0046 -0.0008 99 ASP A O 628 C CB . ASP A 81 ? 0.2300 0.3462 0.2190 -0.0411 0.0047 -0.0013 99 ASP A CB 629 C CG . ASP A 81 ? 0.2504 0.3615 0.2384 -0.0498 0.0044 -0.0008 99 ASP A CG 630 O OD1 . ASP A 81 ? 0.2589 0.3614 0.2432 -0.0512 0.0011 -0.0020 99 ASP A OD1 631 O OD2 . ASP A 81 ? 0.2629 0.3778 0.2530 -0.0553 0.0077 0.0008 99 ASP A OD2 632 N N . PRO A 82 ? 0.2285 0.3179 0.2042 -0.0358 -0.0030 -0.0045 100 PRO A N 633 C CA . PRO A 82 ? 0.2315 0.3083 0.2001 -0.0358 -0.0025 -0.0040 100 PRO A CA 634 C C . PRO A 82 ? 0.2413 0.3097 0.2056 -0.0415 -0.0006 -0.0027 100 PRO A C 635 O O . PRO A 82 ? 0.2441 0.3038 0.2025 -0.0409 0.0021 -0.0013 100 PRO A O 636 C CB . PRO A 82 ? 0.2192 0.2933 0.1872 -0.0337 -0.0070 -0.0060 100 PRO A CB 637 C CG . PRO A 82 ? 0.2243 0.3079 0.1981 -0.0338 -0.0101 -0.0073 100 PRO A CG 638 C CD . PRO A 82 ? 0.2253 0.3198 0.2043 -0.0326 -0.0076 -0.0067 100 PRO A CD 639 N N . VAL A 83 ? 0.2613 0.3320 0.2278 -0.0466 -0.0020 -0.0032 101 VAL A N 640 C CA . VAL A 83 ? 0.2697 0.3299 0.2302 -0.0526 -0.0003 -0.0023 101 VAL A CA 641 C C . VAL A 83 ? 0.2715 0.3285 0.2291 -0.0544 0.0050 0.0001 101 VAL A C 642 O O . VAL A 83 ? 0.2778 0.3220 0.2271 -0.0554 0.0078 0.0014 101 VAL A O 643 C CB . VAL A 83 ? 0.2800 0.3444 0.2436 -0.0585 -0.0033 -0.0036 101 VAL A CB 644 C CG1 . VAL A 83 ? 0.2960 0.3485 0.2524 -0.0650 -0.0015 -0.0030 101 VAL A CG1 645 C CG2 . VAL A 83 ? 0.2954 0.3617 0.2603 -0.0560 -0.0087 -0.0058 101 VAL A CG2 646 N N . ASN A 84 ? 0.2572 0.3249 0.2206 -0.0537 0.0068 0.0009 102 ASN A N 647 C CA . ASN A 84 ? 0.2614 0.3259 0.2213 -0.0545 0.0122 0.0035 102 ASN A CA 648 C C . ASN A 84 ? 0.2566 0.3199 0.2137 -0.0472 0.0142 0.0046 102 ASN A C 649 O O . ASN A 84 ? 0.2592 0.3193 0.2122 -0.0467 0.0188 0.0072 102 ASN A O 650 C CB . ASN A 84 ? 0.2688 0.3449 0.2355 -0.0589 0.0141 0.0044 102 ASN A CB 651 C CG . ASN A 84 ? 0.2874 0.3639 0.2561 -0.0677 0.0123 0.0035 102 ASN A CG 652 O OD1 . ASN A 84 ? 0.2928 0.3564 0.2541 -0.0728 0.0138 0.0041 102 ASN A OD1 653 N ND2 . ASN A 84 ? 0.2800 0.3700 0.2576 -0.0687 0.0085 0.0016 102 ASN A ND2 654 N N . LEU A 85 ? 0.2297 0.2944 0.1878 -0.0418 0.0109 0.0029 103 LEU A N 655 C CA . LEU A 85 ? 0.2240 0.2875 0.1792 -0.0353 0.0120 0.0035 103 LEU A CA 656 C C . LEU A 85 ? 0.2175 0.2899 0.1753 -0.0322 0.0143 0.0044 103 LEU A C 657 O O . LEU A 85 ? 0.2089 0.2793 0.1628 -0.0281 0.0165 0.0057 103 LEU A O 658 C CB . LEU A 85 ? 0.2360 0.2876 0.1830 -0.0347 0.0147 0.0054 103 LEU A CB 659 C CG . LEU A 85 ? 0.2501 0.2918 0.1929 -0.0371 0.0131 0.0047 103 LEU A CG 660 C CD1 . LEU A 85 ? 0.2678 0.2967 0.2015 -0.0370 0.0166 0.0069 103 LEU A CD1 661 C CD2 . LEU A 85 ? 0.2419 0.2853 0.1867 -0.0339 0.0093 0.0027 103 LEU A CD2 662 N N . LEU A 86 ? 0.2109 0.2939 0.1755 -0.0335 0.0135 0.0035 104 LEU A N 663 C CA . LEU A 86 ? 0.2168 0.3095 0.1845 -0.0306 0.0157 0.0041 104 LEU A CA 664 C C . LEU A 86 ? 0.2080 0.3084 0.1794 -0.0246 0.0122 0.0014 104 LEU A C 665 O O . LEU A 86 ? 0.1924 0.2944 0.1669 -0.0245 0.0081 -0.0008 104 LEU A O 666 C CB . LEU A 86 ? 0.2196 0.3200 0.1924 -0.0362 0.0182 0.0053 104 LEU A CB 667 C CG . LEU A 86 ? 0.2267 0.3183 0.1949 -0.0431 0.0219 0.0079 104 LEU A CG 668 C CD1 . LEU A 86 ? 0.2399 0.3411 0.2147 -0.0497 0.0235 0.0086 104 LEU A CD1 669 C CD2 . LEU A 86 ? 0.2433 0.3274 0.2037 -0.0406 0.0267 0.0108 104 LEU A CD2 670 N N . ASN A 87 ? 0.2105 0.3149 0.1804 -0.0196 0.0142 0.0017 105 ASN A N 671 C CA . ASN A 87 ? 0.2096 0.3216 0.1820 -0.0138 0.0120 -0.0005 105 ASN A CA 672 C C . ASN A 87 ? 0.1987 0.3056 0.1698 -0.0114 0.0069 -0.0034 105 ASN A C 673 O O . ASN A 87 ? 0.1893 0.3000 0.1637 -0.0095 0.0037 -0.0056 105 ASN A O 674 C CB . ASN A 87 ? 0.2306 0.3544 0.2101 -0.0141 0.0122 -0.0010 105 ASN A CB 675 C CG . ASN A 87 ? 0.2650 0.3945 0.2468 -0.0185 0.0173 0.0019 105 ASN A CG 676 O OD1 . ASN A 87 ? 0.2629 0.3889 0.2401 -0.0183 0.0213 0.0041 105 ASN A OD1 677 N ND2 . ASN A 87 ? 0.2949 0.4316 0.2836 -0.0234 0.0169 0.0020 105 ASN A ND2 678 N N . ASP A 88 ? 0.1941 0.2926 0.1603 -0.0112 0.0066 -0.0030 106 ASP A N 679 C CA . ASP A 88 ? 0.1876 0.2808 0.1522 -0.0099 0.0024 -0.0052 106 ASP A CA 680 C C . ASP A 88 ? 0.1882 0.2830 0.1505 -0.0045 0.0008 -0.0073 106 ASP A C 681 O O . ASP A 88 ? 0.1968 0.2878 0.1554 -0.0031 0.0000 -0.0076 106 ASP A O 682 C CB . ASP A 88 ? 0.1806 0.2655 0.1420 -0.0127 0.0028 -0.0038 106 ASP A CB 683 C CG . ASP A 88 ? 0.1693 0.2491 0.1299 -0.0127 -0.0010 -0.0058 106 ASP A CG 684 O OD1 . ASP A 88 ? 0.1587 0.2400 0.1210 -0.0114 -0.0041 -0.0081 106 ASP A OD1 685 O OD2 . ASP A 88 ? 0.1692 0.2436 0.1271 -0.0137 -0.0007 -0.0049 106 ASP A OD2 686 N N . ILE A 89 ? 0.1925 0.2932 0.1570 -0.0015 0.0000 -0.0090 107 ILE A N 687 C CA . ILE A 89 ? 0.2039 0.3060 0.1651 0.0040 -0.0012 -0.0113 107 ILE A CA 688 C C . ILE A 89 ? 0.1988 0.3033 0.1616 0.0072 -0.0038 -0.0138 107 ILE A C 689 O O . ILE A 89 ? 0.2054 0.3155 0.1731 0.0063 -0.0032 -0.0132 107 ILE A O 690 C CB . ILE A 89 ? 0.2103 0.3178 0.1697 0.0067 0.0028 -0.0097 107 ILE A CB 691 C CG1 . ILE A 89 ? 0.2211 0.3286 0.1758 0.0124 0.0010 -0.0125 107 ILE A CG1 692 C CG2 . ILE A 89 ? 0.2160 0.3321 0.1803 0.0060 0.0062 -0.0080 107 ILE A CG2 693 C CD1 . ILE A 89 ? 0.2294 0.3400 0.1801 0.0153 0.0045 -0.0110 107 ILE A CD1 694 N N . VAL A 90 ? 0.1971 0.2967 0.1557 0.0103 -0.0071 -0.0167 108 VAL A N 695 C CA . VAL A 90 ? 0.2094 0.3091 0.1672 0.0147 -0.0094 -0.0194 108 VAL A CA 696 C C . VAL A 90 ? 0.2245 0.3209 0.1756 0.0194 -0.0105 -0.0220 108 VAL A C 697 O O . VAL A 90 ? 0.2244 0.3167 0.1718 0.0179 -0.0111 -0.0224 108 VAL A O 698 C CB . VAL A 90 ? 0.2303 0.3224 0.1881 0.0120 -0.0132 -0.0203 108 VAL A CB 699 C CG1 . VAL A 90 ? 0.2245 0.3069 0.1775 0.0099 -0.0158 -0.0217 108 VAL A CG1 700 C CG2 . VAL A 90 ? 0.2603 0.3519 0.2174 0.0164 -0.0156 -0.0223 108 VAL A CG2 701 N N . ILE A 91 ? 0.2213 0.3199 0.1704 0.0251 -0.0108 -0.0240 109 ILE A N 702 C CA . ILE A 91 ? 0.2374 0.3297 0.1785 0.0296 -0.0129 -0.0274 109 ILE A CA 703 C C . ILE A 91 ? 0.2495 0.3337 0.1870 0.0320 -0.0166 -0.0302 109 ILE A C 704 O O . ILE A 91 ? 0.2626 0.3504 0.2031 0.0349 -0.0165 -0.0299 109 ILE A O 705 C CB . ILE A 91 ? 0.2373 0.3369 0.1760 0.0359 -0.0097 -0.0278 109 ILE A CB 706 C CG1 . ILE A 91 ? 0.2376 0.3413 0.1765 0.0336 -0.0066 -0.0254 109 ILE A CG1 707 C CG2 . ILE A 91 ? 0.2411 0.3335 0.1707 0.0414 -0.0120 -0.0318 109 ILE A CG2 708 C CD1 . ILE A 91 ? 0.2437 0.3557 0.1815 0.0381 -0.0022 -0.0242 109 ILE A CD1 709 N N . LEU A 92 ? 0.2664 0.3396 0.1970 0.0311 -0.0200 -0.0329 110 LEU A N 710 C CA . LEU A 92 ? 0.2951 0.3574 0.2196 0.0335 -0.0235 -0.0358 110 LEU A CA 711 C C . LEU A 92 ? 0.3088 0.3657 0.2240 0.0395 -0.0244 -0.0395 110 LEU A C 712 O O . LEU A 92 ? 0.3075 0.3613 0.2177 0.0383 -0.0253 -0.0412 110 LEU A O 713 C CB . LEU A 92 ? 0.3275 0.3794 0.2501 0.0270 -0.0266 -0.0363 110 LEU A CB 714 C CG . LEU A 92 ? 0.3359 0.3918 0.2662 0.0204 -0.0256 -0.0329 110 LEU A CG 715 C CD1 . LEU A 92 ? 0.3595 0.4053 0.2868 0.0149 -0.0284 -0.0337 110 LEU A CD1 716 C CD2 . LEU A 92 ? 0.3512 0.4100 0.2858 0.0217 -0.0253 -0.0313 110 LEU A CD2 717 N N . GLN A 93 ? 0.3175 0.3730 0.2297 0.0463 -0.0245 -0.0408 111 GLN A N 718 C CA . GLN A 93 ? 0.3426 0.3905 0.2443 0.0529 -0.0255 -0.0446 111 GLN A CA 719 C C . GLN A 93 ? 0.3526 0.3827 0.2451 0.0509 -0.0299 -0.0477 111 GLN A C 720 O O . GLN A 93 ? 0.3568 0.3811 0.2493 0.0511 -0.0314 -0.0472 111 GLN A O 721 C CB . GLN A 93 ? 0.3517 0.4054 0.2533 0.0621 -0.0234 -0.0447 111 GLN A CB 722 C CG . GLN A 93 ? 0.3964 0.4404 0.2850 0.0698 -0.0243 -0.0490 111 GLN A CG 723 C CD . GLN A 93 ? 0.4034 0.4563 0.2921 0.0801 -0.0211 -0.0489 111 GLN A CD 724 O OE1 . GLN A 93 ? 0.4277 0.4965 0.3273 0.0811 -0.0180 -0.0455 111 GLN A OE1 725 N NE2 . GLN A 93 ? 0.4180 0.4611 0.2949 0.0874 -0.0219 -0.0526 111 GLN A NE2 726 N N . LEU A 94 ? 0.3615 0.3827 0.2454 0.0493 -0.0320 -0.0509 112 LEU A N 727 C CA . LEU A 94 ? 0.3841 0.3871 0.2580 0.0467 -0.0362 -0.0543 112 LEU A CA 728 C C . LEU A 94 ? 0.4145 0.4046 0.2763 0.0553 -0.0373 -0.0577 112 LEU A C 729 O O . LEU A 94 ? 0.3956 0.3911 0.2551 0.0638 -0.0351 -0.0584 112 LEU A O 730 C CB . LEU A 94 ? 0.3818 0.3812 0.2511 0.0414 -0.0383 -0.0568 112 LEU A CB 731 C CG . LEU A 94 ? 0.3739 0.3856 0.2534 0.0344 -0.0373 -0.0538 112 LEU A CG 732 C CD1 . LEU A 94 ? 0.3740 0.3814 0.2479 0.0298 -0.0403 -0.0568 112 LEU A CD1 733 C CD2 . LEU A 94 ? 0.3643 0.3767 0.2519 0.0278 -0.0374 -0.0506 112 LEU A CD2 734 N N . ASN A 95 ? 0.4567 0.4297 0.3104 0.0529 -0.0405 -0.0596 113 ASN A N 735 C CA . ASN A 95 ? 0.5032 0.4602 0.3436 0.0605 -0.0419 -0.0627 113 ASN A CA 736 C C . ASN A 95 ? 0.5358 0.4803 0.3623 0.0620 -0.0439 -0.0679 113 ASN A C 737 O O . ASN A 95 ? 0.5955 0.5226 0.4087 0.0665 -0.0456 -0.0711 113 ASN A O 738 C CB . ASN A 95 ? 0.5381 0.4800 0.3746 0.0569 -0.0444 -0.0621 113 ASN A CB 739 C CG . ASN A 95 ? 0.5921 0.5201 0.4226 0.0466 -0.0476 -0.0642 113 ASN A CG 740 O OD1 . ASN A 95 ? 0.5521 0.4886 0.3890 0.0393 -0.0477 -0.0639 113 ASN A OD1 741 N ND2 . ASN A 95 ? 0.6794 0.5860 0.4976 0.0458 -0.0500 -0.0662 113 ASN A ND2 742 N N . GLY A 96 ? 0.5094 0.4625 0.3384 0.0588 -0.0436 -0.0687 114 GLY A N 743 C CA . GLY A 96 ? 0.5169 0.4614 0.3337 0.0608 -0.0453 -0.0734 114 GLY A CA 744 C C . GLY A 96 ? 0.5142 0.4742 0.3385 0.0568 -0.0443 -0.0724 114 GLY A C 745 O O . GLY A 96 ? 0.5153 0.4919 0.3533 0.0543 -0.0417 -0.0679 114 GLY A O 746 N N . SER A 97 ? 0.5212 0.4751 0.3356 0.0562 -0.0466 -0.0766 115 SER A N 747 C CA . SER A 97 ? 0.5434 0.5096 0.3621 0.0529 -0.0466 -0.0762 115 SER A CA 748 C C . SER A 97 ? 0.5397 0.5000 0.3566 0.0422 -0.0515 -0.0785 115 SER A C 749 O O . SER A 97 ? 0.5620 0.5045 0.3672 0.0392 -0.0555 -0.0830 115 SER A O 750 C CB . SER A 97 ? 0.5438 0.5092 0.3516 0.0615 -0.0457 -0.0796 115 SER A CB 751 O OG . SER A 97 ? 0.5554 0.5315 0.3684 0.0704 -0.0405 -0.0764 115 SER A OG 752 N N . ALA A 98 ? 0.5014 0.4768 0.3291 0.0369 -0.0510 -0.0756 116 ALA A N 753 C CA . ALA A 98 ? 0.4840 0.4592 0.3121 0.0276 -0.0552 -0.0773 116 ALA A CA 754 C C . ALA A 98 ? 0.5063 0.4756 0.3213 0.0294 -0.0586 -0.0828 116 ALA A C 755 O O . ALA A 98 ? 0.4868 0.4603 0.2969 0.0379 -0.0564 -0.0835 116 ALA A O 756 C CB . ALA A 98 ? 0.4557 0.4498 0.2978 0.0242 -0.0532 -0.0726 116 ALA A CB 757 N N . THR A 99 ? 0.5159 0.4765 0.3257 0.0209 -0.0639 -0.0866 117 THR A N 758 C CA . THR A 99 ? 0.5444 0.5024 0.3438 0.0205 -0.0680 -0.0916 117 THR A CA 759 C C . THR A 99 ? 0.5269 0.5046 0.3378 0.0165 -0.0683 -0.0886 117 THR A C 760 O O . THR A 99 ? 0.5368 0.5212 0.3584 0.0079 -0.0694 -0.0862 117 THR A O 761 C CB . THR A 99 ? 0.5758 0.5159 0.3642 0.0126 -0.0738 -0.0973 117 THR A CB 762 O OG1 . THR A 99 ? 0.6113 0.5328 0.3925 0.0142 -0.0730 -0.0983 117 THR A OG1 763 C CG2 . THR A 99 ? 0.6185 0.5509 0.3913 0.0150 -0.0778 -0.1036 117 THR A CG2 764 N N . ILE A 100 ? 0.5188 0.5051 0.3265 0.0231 -0.0672 -0.0888 118 ILE A N 765 C CA . ILE A 100 ? 0.5039 0.5079 0.3200 0.0216 -0.0672 -0.0859 118 ILE A CA 766 C C . ILE A 100 ? 0.5209 0.5247 0.3327 0.0142 -0.0740 -0.0903 118 ILE A C 767 O O . ILE A 100 ? 0.5764 0.5693 0.3743 0.0153 -0.0778 -0.0960 118 ILE A O 768 C CB . ILE A 100 ? 0.5098 0.5215 0.3222 0.0318 -0.0634 -0.0845 118 ILE A CB 769 C CG1 . ILE A 100 ? 0.5078 0.5215 0.3256 0.0384 -0.0566 -0.0801 118 ILE A CG1 770 C CG2 . ILE A 100 ? 0.4895 0.5179 0.3075 0.0312 -0.0638 -0.0819 118 ILE A CG2 771 C CD1 . ILE A 100 ? 0.5092 0.5310 0.3425 0.0339 -0.0537 -0.0744 118 ILE A CD1 772 N N . ASN A 101 ? 0.4944 0.5105 0.3176 0.0070 -0.0756 -0.0878 119 ASN A N 773 C CA . ASN A 101 ? 0.5071 0.5268 0.3286 -0.0004 -0.0821 -0.0914 119 ASN A CA 774 C C . ASN A 101 ? 0.4912 0.5316 0.3266 -0.0027 -0.0816 -0.0867 119 ASN A C 775 O O . ASN A 101 ? 0.4826 0.5331 0.3243 0.0038 -0.0764 -0.0814 119 ASN A O 776 C CB . ASN A 101 ? 0.5242 0.5299 0.3423 -0.0106 -0.0866 -0.0956 119 ASN A CB 777 C CG . ASN A 101 ? 0.5060 0.5109 0.3354 -0.0160 -0.0836 -0.0914 119 ASN A CG 778 O OD1 . ASN A 101 ? 0.5305 0.5189 0.3544 -0.0186 -0.0837 -0.0932 119 ASN A OD1 779 N ND2 . ASN A 101 ? 0.4772 0.4981 0.3207 -0.0169 -0.0808 -0.0859 119 ASN A ND2 780 N N . ALA A 102 ? 0.4871 0.5336 0.3269 -0.0118 -0.0868 -0.0884 120 ALA A N 781 C CA . ALA A 102 ? 0.4860 0.5521 0.3370 -0.0133 -0.0872 -0.0848 120 ALA A CA 782 C C . ALA A 102 ? 0.4748 0.5472 0.3401 -0.0144 -0.0816 -0.0782 120 ALA A C 783 O O . ALA A 102 ? 0.4589 0.5450 0.3321 -0.0099 -0.0781 -0.0731 120 ALA A O 784 C CB . ALA A 102 ? 0.5087 0.5801 0.3607 -0.0233 -0.0946 -0.0889 120 ALA A CB 785 N N . ASN A 103 ? 0.4543 0.5155 0.3213 -0.0203 -0.0808 -0.0786 121 ASN A N 786 C CA . ASN A 103 ? 0.4425 0.5064 0.3206 -0.0223 -0.0763 -0.0734 121 ASN A CA 787 C C . ASN A 103 ? 0.4251 0.4827 0.3036 -0.0153 -0.0701 -0.0699 121 ASN A C 788 O O . ASN A 103 ? 0.4285 0.4889 0.3161 -0.0170 -0.0664 -0.0656 121 ASN A O 789 C CB . ASN A 103 ? 0.4557 0.5104 0.3350 -0.0327 -0.0787 -0.0755 121 ASN A CB 790 C CG . ASN A 103 ? 0.4692 0.5303 0.3492 -0.0415 -0.0850 -0.0791 121 ASN A CG 791 O OD1 . ASN A 103 ? 0.5324 0.5805 0.4044 -0.0483 -0.0892 -0.0841 121 ASN A OD1 792 N ND2 . ASN A 103 ? 0.4502 0.5305 0.3384 -0.0411 -0.0859 -0.0769 121 ASN A ND2 793 N N . VAL A 104 ? 0.4095 0.4592 0.2781 -0.0077 -0.0689 -0.0718 122 VAL A N 794 C CA . VAL A 104 ? 0.3986 0.4420 0.2667 -0.0011 -0.0634 -0.0692 122 VAL A CA 795 C C . VAL A 104 ? 0.4074 0.4548 0.2694 0.0080 -0.0615 -0.0693 122 VAL A C 796 O O . VAL A 104 ? 0.4178 0.4577 0.2678 0.0109 -0.0643 -0.0741 122 VAL A O 797 C CB . VAL A 104 ? 0.3985 0.4236 0.2596 -0.0028 -0.0642 -0.0722 122 VAL A CB 798 C CG1 . VAL A 104 ? 0.3968 0.4177 0.2571 0.0050 -0.0592 -0.0699 122 VAL A CG1 799 C CG2 . VAL A 104 ? 0.3956 0.4173 0.2628 -0.0125 -0.0658 -0.0716 122 VAL A CG2 800 N N . GLN A 105 ? 0.4015 0.4603 0.2709 0.0123 -0.0567 -0.0640 123 GLN A N 801 C CA . GLN A 105 ? 0.4128 0.4767 0.2773 0.0211 -0.0536 -0.0628 123 GLN A CA 802 C C . GLN A 105 ? 0.3830 0.4511 0.2544 0.0252 -0.0470 -0.0574 123 GLN A C 803 O O . GLN A 105 ? 0.3613 0.4328 0.2427 0.0211 -0.0451 -0.0537 123 GLN A O 804 C CB . GLN A 105 ? 0.4528 0.5285 0.3175 0.0218 -0.0555 -0.0619 123 GLN A CB 805 C CG . GLN A 105 ? 0.5219 0.5946 0.3799 0.0172 -0.0627 -0.0677 123 GLN A CG 806 C CD . GLN A 105 ? 0.5938 0.6776 0.4496 0.0189 -0.0657 -0.0680 123 GLN A CD 807 O OE1 . GLN A 105 ? 0.6545 0.7404 0.5090 0.0131 -0.0719 -0.0717 123 GLN A OE1 808 N NE2 . GLN A 105 ? 0.6252 0.7163 0.4801 0.0264 -0.0615 -0.0642 123 GLN A NE2 809 N N . VAL A 106 ? 0.3602 0.4283 0.2260 0.0328 -0.0434 -0.0569 124 VAL A N 810 C CA . VAL A 106 ? 0.3531 0.4255 0.2247 0.0367 -0.0369 -0.0521 124 VAL A CA 811 C C . VAL A 106 ? 0.3496 0.4332 0.2260 0.0375 -0.0341 -0.0474 124 VAL A C 812 O O . VAL A 106 ? 0.3318 0.4191 0.2027 0.0399 -0.0356 -0.0481 124 VAL A O 813 C CB . VAL A 106 ? 0.3645 0.4334 0.2276 0.0448 -0.0341 -0.0538 124 VAL A CB 814 C CG1 . VAL A 106 ? 0.3531 0.4297 0.2211 0.0493 -0.0272 -0.0488 124 VAL A CG1 815 C CG2 . VAL A 106 ? 0.3634 0.4200 0.2214 0.0450 -0.0364 -0.0580 124 VAL A CG2 816 N N . ALA A 107 ? 0.3297 0.4178 0.2155 0.0355 -0.0302 -0.0425 125 ALA A N 817 C CA . ALA A 107 ? 0.3330 0.4294 0.2223 0.0367 -0.0269 -0.0377 125 ALA A CA 818 C C . ALA A 107 ? 0.3468 0.4463 0.2314 0.0434 -0.0216 -0.0353 125 ALA A C 819 O O . ALA A 107 ? 0.3435 0.4402 0.2255 0.0467 -0.0194 -0.0364 125 ALA A O 820 C CB . ALA A 107 ? 0.3222 0.4202 0.2217 0.0323 -0.0241 -0.0336 125 ALA A CB 821 N N . GLN A 108 ? 0.3487 0.4542 0.2333 0.0451 -0.0191 -0.0313 126 GLN A N 822 C CA . GLN A 108 ? 0.3871 0.4956 0.2677 0.0504 -0.0135 -0.0279 126 GLN A CA 823 C C . GLN A 108 ? 0.3598 0.4706 0.2477 0.0483 -0.0080 -0.0223 126 GLN A C 824 O O . GLN A 108 ? 0.3481 0.4599 0.2409 0.0448 -0.0088 -0.0202 126 GLN A O 825 C CB . GLN A 108 ? 0.4415 0.5537 0.3144 0.0543 -0.0148 -0.0272 126 GLN A CB 826 C CG . GLN A 108 ? 0.5083 0.6184 0.3728 0.0561 -0.0209 -0.0331 126 GLN A CG 827 C CD . GLN A 108 ? 0.6188 0.7270 0.4740 0.0624 -0.0182 -0.0344 126 GLN A CD 828 O OE1 . GLN A 108 ? 0.7527 0.8641 0.6017 0.0673 -0.0152 -0.0317 126 GLN A OE1 829 N NE2 . GLN A 108 ? 0.6794 0.7823 0.5335 0.0628 -0.0183 -0.0378 126 GLN A NE2 830 N N . LEU A 109 ? 0.3369 0.4489 0.2245 0.0507 -0.0022 -0.0197 127 LEU A N 831 C CA . LEU A 109 ? 0.3318 0.4452 0.2261 0.0478 0.0031 -0.0148 127 LEU A CA 832 C C . LEU A 109 ? 0.3242 0.4398 0.2137 0.0510 0.0089 -0.0099 127 LEU A C 833 O O . LEU A 109 ? 0.3295 0.4465 0.2110 0.0563 0.0102 -0.0104 127 LEU A O 834 C CB . LEU A 109 ? 0.3377 0.4515 0.2369 0.0470 0.0052 -0.0157 127 LEU A CB 835 C CG . LEU A 109 ? 0.3437 0.4538 0.2465 0.0444 0.0000 -0.0201 127 LEU A CG 836 C CD1 . LEU A 109 ? 0.3519 0.4634 0.2606 0.0436 0.0023 -0.0200 127 LEU A CD1 837 C CD2 . LEU A 109 ? 0.3335 0.4413 0.2416 0.0387 -0.0029 -0.0194 127 LEU A CD2 838 N N . PRO A 110 ? 0.3085 0.4234 0.2016 0.0480 0.0128 -0.0052 128 PRO A N 839 C CA . PRO A 110 ? 0.3087 0.4240 0.1966 0.0504 0.0190 -0.0004 128 PRO A CA 840 C C . PRO A 110 ? 0.3120 0.4306 0.2009 0.0510 0.0245 0.0007 128 PRO A C 841 O O . PRO A 110 ? 0.2911 0.4122 0.1858 0.0497 0.0235 -0.0021 128 PRO A O 842 C CB . PRO A 110 ? 0.3064 0.4183 0.1983 0.0460 0.0214 0.0037 128 PRO A CB 843 C CG . PRO A 110 ? 0.3026 0.4139 0.2044 0.0403 0.0184 0.0013 128 PRO A CG 844 C CD . PRO A 110 ? 0.3102 0.4233 0.2126 0.0417 0.0128 -0.0042 128 PRO A CD 845 N N . ALA A 111 ? 0.3089 0.4275 0.1918 0.0532 0.0304 0.0052 129 ALA A N 846 C CA . ALA A 111 ? 0.3152 0.4380 0.1994 0.0532 0.0365 0.0073 129 ALA A CA 847 C C . ALA A 111 ? 0.2942 0.4173 0.1882 0.0459 0.0393 0.0097 129 ALA A C 848 O O . ALA A 111 ? 0.2853 0.4033 0.1813 0.0418 0.0388 0.0116 129 ALA A O 849 C CB . ALA A 111 ? 0.3273 0.4495 0.2012 0.0574 0.0424 0.0116 129 ALA A CB 850 N N . GLN A 112 ? 0.2898 0.4193 0.1895 0.0445 0.0425 0.0097 130 GLN A N 851 C CA . GLN A 112 ? 0.2842 0.4153 0.1930 0.0371 0.0456 0.0122 130 GLN A CA 852 C C . GLN A 112 ? 0.2919 0.4171 0.1973 0.0332 0.0506 0.0177 130 GLN A C 853 O O . GLN A 112 ? 0.2923 0.4161 0.1899 0.0360 0.0549 0.0208 130 GLN A O 854 C CB . GLN A 112 ? 0.2891 0.4307 0.2043 0.0368 0.0493 0.0122 130 GLN A CB 855 C CG . GLN A 112 ? 0.2812 0.4262 0.2058 0.0285 0.0529 0.0152 130 GLN A CG 856 C CD . GLN A 112 ? 0.2671 0.4118 0.2007 0.0240 0.0478 0.0125 130 GLN A CD 857 O OE1 . GLN A 112 ? 0.2664 0.4121 0.2019 0.0272 0.0424 0.0081 130 GLN A OE1 858 N NE2 . GLN A 112 ? 0.2671 0.4093 0.2052 0.0164 0.0494 0.0151 130 GLN A NE2 859 N N . GLY A 113 ? 0.2993 0.4198 0.2095 0.0267 0.0501 0.0190 131 GLY A N 860 C CA . GLY A 113 ? 0.3083 0.4209 0.2139 0.0230 0.0549 0.0241 131 GLY A CA 861 C C . GLY A 113 ? 0.3313 0.4347 0.2270 0.0272 0.0535 0.0255 131 GLY A C 862 O O . GLY A 113 ? 0.3388 0.4340 0.2298 0.0245 0.0576 0.0297 131 GLY A O 863 N N . ARG A 114 ? 0.3636 0.4677 0.2553 0.0336 0.0483 0.0224 132 ARG A N 864 C CA . ARG A 114 ? 0.4000 0.4968 0.2823 0.0379 0.0475 0.0246 132 ARG A CA 865 C C . ARG A 114 ? 0.4077 0.4974 0.2930 0.0334 0.0463 0.0255 132 ARG A C 866 O O . ARG A 114 ? 0.3909 0.4827 0.2849 0.0297 0.0421 0.0222 132 ARG A O 867 C CB . ARG A 114 ? 0.4489 0.5485 0.3263 0.0450 0.0417 0.0212 132 ARG A CB 868 C CG . ARG A 114 ? 0.5052 0.5982 0.3734 0.0493 0.0418 0.0245 132 ARG A CG 869 C CD . ARG A 114 ? 0.5507 0.6452 0.4087 0.0577 0.0392 0.0244 132 ARG A CD 870 N NE . ARG A 114 ? 0.5674 0.6643 0.4261 0.0607 0.0321 0.0217 132 ARG A NE 871 C CZ . ARG A 114 ? 0.5176 0.6212 0.3799 0.0616 0.0253 0.0161 132 ARG A CZ 872 N NH1 . ARG A 114 ? 0.5557 0.6631 0.4207 0.0606 0.0242 0.0124 132 ARG A NH1 873 N NH2 . ARG A 114 ? 0.4832 0.5897 0.3473 0.0627 0.0197 0.0140 132 ARG A NH2 874 N N . ARG A 115 ? 0.4387 0.5192 0.3166 0.0334 0.0504 0.0302 133 ARG A N 875 C CA . ARG A 115 ? 0.4784 0.5509 0.3572 0.0306 0.0492 0.0311 133 ARG A CA 876 C C . ARG A 115 ? 0.4679 0.5378 0.3391 0.0378 0.0467 0.0319 133 ARG A C 877 O O . ARG A 115 ? 0.4667 0.5375 0.3293 0.0442 0.0478 0.0335 133 ARG A O 878 C CB . ARG A 115 ? 0.5436 0.6055 0.4189 0.0251 0.0552 0.0356 133 ARG A CB 879 C CG . ARG A 115 ? 0.6020 0.6672 0.4844 0.0174 0.0584 0.0356 133 ARG A CG 880 C CD . ARG A 115 ? 0.6567 0.7105 0.5371 0.0102 0.0626 0.0388 133 ARG A CD 881 N NE . ARG A 115 ? 0.6617 0.7133 0.5484 0.0064 0.0583 0.0360 133 ARG A NE 882 C CZ . ARG A 115 ? 0.6448 0.7008 0.5417 -0.0005 0.0563 0.0333 133 ARG A CZ 883 N NH1 . ARG A 115 ? 0.6155 0.6799 0.5193 -0.0055 0.0582 0.0329 133 ARG A NH1 884 N NH2 . ARG A 115 ? 0.5654 0.6180 0.4655 -0.0022 0.0523 0.0311 133 ARG A NH2 885 N N . LEU A 116 ? 0.4131 0.4813 0.2878 0.0372 0.0429 0.0304 134 LEU A N 886 C CA . LEU A 116 ? 0.3767 0.4442 0.2459 0.0437 0.0405 0.0312 134 LEU A CA 887 C C . LEU A 116 ? 0.3838 0.4393 0.2468 0.0435 0.0445 0.0355 134 LEU A C 888 O O . LEU A 116 ? 0.3673 0.4166 0.2341 0.0374 0.0459 0.0356 134 LEU A O 889 C CB . LEU A 116 ? 0.3713 0.4463 0.2490 0.0433 0.0336 0.0265 134 LEU A CB 890 C CG . LEU A 116 ? 0.3608 0.4463 0.2433 0.0440 0.0287 0.0217 134 LEU A CG 891 C CD1 . LEU A 116 ? 0.3616 0.4519 0.2524 0.0419 0.0226 0.0176 134 LEU A CD1 892 C CD2 . LEU A 116 ? 0.3589 0.4483 0.2329 0.0514 0.0281 0.0222 134 LEU A CD2 893 N N . GLY A 117 ? 0.3930 0.4442 0.2454 0.0507 0.0463 0.0390 135 GLY A N 894 C CA . GLY A 117 ? 0.3998 0.4376 0.2443 0.0517 0.0503 0.0433 135 GLY A CA 895 C C . GLY A 117 ? 0.3953 0.4347 0.2429 0.0546 0.0463 0.0420 135 GLY A C 896 O O . GLY A 117 ? 0.3718 0.4229 0.2260 0.0568 0.0406 0.0385 135 GLY A O 897 N N . ASN A 118 ? 0.4033 0.4299 0.2443 0.0549 0.0500 0.0453 136 ASN A N 898 C CA . ASN A 118 ? 0.4280 0.4531 0.2687 0.0589 0.0482 0.0455 136 ASN A CA 899 C C . ASN A 118 ? 0.4085 0.4444 0.2473 0.0688 0.0442 0.0456 136 ASN A C 900 O O . ASN A 118 ? 0.4227 0.4583 0.2525 0.0751 0.0456 0.0483 136 ASN A O 901 C CB . ASN A 118 ? 0.4726 0.4789 0.3014 0.0595 0.0544 0.0502 136 ASN A CB 902 C CG . ASN A 118 ? 0.5285 0.5306 0.3582 0.0605 0.0536 0.0498 136 ASN A CG 903 O OD1 . ASN A 118 ? 0.6162 0.6158 0.4386 0.0692 0.0541 0.0524 136 ASN A OD1 904 N ND2 . ASN A 118 ? 0.5162 0.5186 0.3550 0.0523 0.0521 0.0466 136 ASN A ND2 905 N N . GLY A 119 ? 0.3586 0.4054 0.2063 0.0697 0.0391 0.0424 137 GLY A N 906 C CA . GLY A 119 ? 0.3598 0.4186 0.2072 0.0782 0.0348 0.0422 137 GLY A CA 907 C C . GLY A 119 ? 0.3525 0.4267 0.2069 0.0775 0.0290 0.0380 137 GLY A C 908 O O . GLY A 119 ? 0.3645 0.4507 0.2211 0.0829 0.0244 0.0369 137 GLY A O 909 N N . VAL A 120 ? 0.3394 0.4144 0.1980 0.0710 0.0287 0.0353 138 VAL A N 910 C CA . VAL A 120 ? 0.3287 0.4165 0.1934 0.0701 0.0231 0.0308 138 VAL A CA 911 C C . VAL A 120 ? 0.3245 0.4230 0.2004 0.0675 0.0172 0.0267 138 VAL A C 912 O O . VAL A 120 ? 0.2993 0.3948 0.1818 0.0619 0.0176 0.0257 138 VAL A O 913 C CB . VAL A 120 ? 0.3294 0.4151 0.1962 0.0641 0.0245 0.0288 138 VAL A CB 914 C CG1 . VAL A 120 ? 0.3239 0.4212 0.1962 0.0632 0.0184 0.0235 138 VAL A CG1 915 C CG2 . VAL A 120 ? 0.3505 0.4287 0.2058 0.0675 0.0301 0.0328 138 VAL A CG2 916 N N . GLN A 121 ? 0.3200 0.4312 0.1980 0.0706 0.0114 0.0240 139 GLN A N 917 C CA . GLN A 121 ? 0.3284 0.4508 0.2166 0.0681 0.0058 0.0204 139 GLN A CA 918 C C . GLN A 121 ? 0.2950 0.4207 0.1899 0.0611 0.0021 0.0151 139 GLN A C 919 O O . GLN A 121 ? 0.2949 0.4223 0.1863 0.0619 0.0005 0.0132 139 GLN A O 920 C CB . GLN A 121 ? 0.3698 0.5052 0.2567 0.0748 0.0011 0.0201 139 GLN A CB 921 C CG . GLN A 121 ? 0.4293 0.5616 0.3064 0.0841 0.0045 0.0254 139 GLN A CG 922 C CD . GLN A 121 ? 0.4967 0.6314 0.3776 0.0862 0.0052 0.0274 139 GLN A CD 923 O OE1 . GLN A 121 ? 0.5414 0.6664 0.4240 0.0824 0.0092 0.0286 139 GLN A OE1 924 N NE2 . GLN A 121 ? 0.5558 0.7049 0.4388 0.0922 0.0010 0.0274 139 GLN A NE2 925 N N . CYS A 122 ? 0.2684 0.3944 0.1721 0.0546 0.0008 0.0129 140 CYS A N 926 C CA . CYS A 122 ? 0.2633 0.3907 0.1731 0.0481 -0.0024 0.0082 140 CYS A CA 927 C C . CYS A 122 ? 0.2560 0.3913 0.1748 0.0439 -0.0070 0.0053 140 CYS A C 928 O O . CYS A 122 ? 0.2323 0.3726 0.1535 0.0461 -0.0069 0.0073 140 CYS A O 929 C CB . CYS A 122 ? 0.2690 0.3855 0.1802 0.0427 0.0017 0.0087 140 CYS A CB 930 S SG . CYS A 122 ? 0.2922 0.3986 0.1946 0.0451 0.0084 0.0127 140 CYS A SG 931 N N . LEU A 123 ? 0.2560 0.3919 0.1793 0.0381 -0.0105 0.0008 141 LEU A N 932 C CA . LEU A 123 ? 0.2559 0.3970 0.1872 0.0328 -0.0143 -0.0019 141 LEU A CA 933 C C . LEU A 123 ? 0.2351 0.3674 0.1700 0.0263 -0.0130 -0.0034 141 LEU A C 934 O O . LEU A 123 ? 0.2193 0.3466 0.1522 0.0247 -0.0134 -0.0056 141 LEU A O 935 C CB . LEU A 123 ? 0.2773 0.4268 0.2087 0.0321 -0.0205 -0.0062 141 LEU A CB 936 C CG . LEU A 123 ? 0.2929 0.4524 0.2320 0.0278 -0.0251 -0.0084 141 LEU A CG 937 C CD1 . LEU A 123 ? 0.2962 0.4664 0.2377 0.0323 -0.0249 -0.0053 141 LEU A CD1 938 C CD2 . LEU A 123 ? 0.3036 0.4678 0.2419 0.0251 -0.0313 -0.0135 141 LEU A CD2 939 N N . ALA A 124 ? 0.2217 0.3524 0.1614 0.0233 -0.0114 -0.0020 142 ALA A N 940 C CA . ALA A 124 ? 0.2091 0.3336 0.1531 0.0168 -0.0117 -0.0040 142 ALA A CA 941 C C . ALA A 124 ? 0.2155 0.3451 0.1648 0.0117 -0.0165 -0.0075 142 ALA A C 942 O O . ALA A 124 ? 0.2277 0.3674 0.1792 0.0126 -0.0193 -0.0080 142 ALA A O 943 C CB . ALA A 124 ? 0.2063 0.3249 0.1515 0.0159 -0.0074 -0.0007 142 ALA A CB 944 N N . MET A 125 ? 0.2127 0.3356 0.1640 0.0062 -0.0175 -0.0099 143 MET A N 945 C CA . MET A 125 ? 0.2106 0.3365 0.1659 0.0007 -0.0218 -0.0132 143 MET A CA 946 C C . MET A 125 ? 0.2072 0.3235 0.1636 -0.0043 -0.0216 -0.0145 143 MET A C 947 O O . MET A 125 ? 0.2012 0.3098 0.1557 -0.0035 -0.0190 -0.0135 143 MET A O 948 C CB . MET A 125 ? 0.2269 0.3561 0.1793 0.0007 -0.0267 -0.0172 143 MET A CB 949 C CG . MET A 125 ? 0.2367 0.3575 0.1835 0.0019 -0.0270 -0.0196 143 MET A CG 950 S SD . MET A 125 ? 0.2499 0.3728 0.1902 0.0043 -0.0316 -0.0240 143 MET A SD 951 C CE . MET A 125 ? 0.2543 0.3872 0.1931 0.0113 -0.0295 -0.0200 143 MET A CE 952 N N . GLY A 126 ? 0.2107 0.3280 0.1704 -0.0097 -0.0243 -0.0164 144 GLY A N 953 C CA . GLY A 126 ? 0.2118 0.3199 0.1721 -0.0146 -0.0244 -0.0175 144 GLY A CA 954 C C . GLY A 126 ? 0.2103 0.3210 0.1749 -0.0206 -0.0257 -0.0178 144 GLY A C 955 O O . GLY A 126 ? 0.2204 0.3419 0.1894 -0.0210 -0.0260 -0.0167 144 GLY A O 956 N N . TRP A 127 ? 0.2044 0.3052 0.1677 -0.0249 -0.0263 -0.0192 145 TRP A N 957 C CA . TRP A 127 ? 0.2074 0.3073 0.1735 -0.0311 -0.0269 -0.0192 145 TRP A CA 958 C C . TRP A 127 ? 0.2017 0.2970 0.1691 -0.0315 -0.0227 -0.0159 145 TRP A C 959 O O . TRP A 127 ? 0.1934 0.2844 0.1613 -0.0364 -0.0226 -0.0158 145 TRP A O 960 C CB . TRP A 127 ? 0.2188 0.3084 0.1806 -0.0354 -0.0303 -0.0229 145 TRP A CB 961 C CG . TRP A 127 ? 0.2303 0.3228 0.1904 -0.0374 -0.0348 -0.0268 145 TRP A CG 962 C CD1 . TRP A 127 ? 0.2389 0.3386 0.2022 -0.0430 -0.0375 -0.0282 145 TRP A CD1 963 C CD2 . TRP A 127 ? 0.2372 0.3249 0.1912 -0.0342 -0.0373 -0.0299 145 TRP A CD2 964 N NE1 . TRP A 127 ? 0.2376 0.3362 0.1967 -0.0439 -0.0418 -0.0323 145 TRP A NE1 965 C CE2 . TRP A 127 ? 0.2439 0.3344 0.1967 -0.0382 -0.0417 -0.0335 145 TRP A CE2 966 C CE3 . TRP A 127 ? 0.2378 0.3192 0.1871 -0.0281 -0.0361 -0.0302 145 TRP A CE3 967 C CZ2 . TRP A 127 ? 0.2446 0.3314 0.1908 -0.0358 -0.0449 -0.0373 145 TRP A CZ2 968 C CZ3 . TRP A 127 ? 0.2356 0.3135 0.1790 -0.0260 -0.0390 -0.0338 145 TRP A CZ3 969 C CH2 . TRP A 127 ? 0.2417 0.3220 0.1831 -0.0296 -0.0433 -0.0373 145 TRP A CH2 970 N N . GLY A 128 ? 0.1962 0.2919 0.1631 -0.0266 -0.0194 -0.0132 146 GLY A N 971 C CA . GLY A 128 ? 0.1972 0.2897 0.1647 -0.0267 -0.0157 -0.0102 146 GLY A CA 972 C C . GLY A 128 ? 0.1995 0.2992 0.1712 -0.0282 -0.0134 -0.0078 146 GLY A C 973 O O . GLY A 128 ? 0.2024 0.3125 0.1784 -0.0299 -0.0148 -0.0082 146 GLY A O 974 N N . LEU A 129 ? 0.1957 0.2900 0.1659 -0.0276 -0.0099 -0.0054 147 LEU A N 975 C CA . LEU A 129 ? 0.1968 0.2959 0.1697 -0.0284 -0.0070 -0.0030 147 LEU A CA 976 C C . LEU A 129 ? 0.2010 0.3126 0.1769 -0.0233 -0.0057 -0.0012 147 LEU A C 977 O O . LEU A 129 ? 0.2045 0.3166 0.1782 -0.0185 -0.0057 -0.0011 147 LEU A O 978 C CB . LEU A 129 ? 0.1989 0.2883 0.1675 -0.0273 -0.0035 -0.0009 147 LEU A CB 979 C CG . LEU A 129 ? 0.1974 0.2750 0.1625 -0.0313 -0.0044 -0.0019 147 LEU A CG 980 C CD1 . LEU A 129 ? 0.1978 0.2677 0.1585 -0.0294 -0.0011 0.0000 147 LEU A CD1 981 C CD2 . LEU A 129 ? 0.2040 0.2832 0.1716 -0.0372 -0.0052 -0.0023 147 LEU A CD2 982 N N . LEU A 130 ? 0.1992 0.3210 0.1800 -0.0243 -0.0043 0.0002 148 LEU A N 983 C CA . LEU A 130 ? 0.1991 0.3340 0.1832 -0.0192 -0.0031 0.0020 148 LEU A CA 984 C C . LEU A 130 ? 0.2075 0.3404 0.1889 -0.0136 0.0020 0.0056 148 LEU A C 985 O O . LEU A 130 ? 0.2197 0.3633 0.2033 -0.0083 0.0036 0.0076 148 LEU A O 986 C CB . LEU A 130 ? 0.2006 0.3508 0.1929 -0.0234 -0.0051 0.0014 148 LEU A CB 987 C CG . LEU A 130 ? 0.2014 0.3528 0.1958 -0.0304 -0.0104 -0.0023 148 LEU A CG 988 C CD1 . LEU A 130 ? 0.2012 0.3688 0.2041 -0.0354 -0.0121 -0.0027 148 LEU A CD1 989 C CD2 . LEU A 130 ? 0.2068 0.3576 0.1980 -0.0265 -0.0138 -0.0044 148 LEU A CD2 990 N N . GLY A 131 ? 0.2079 0.3272 0.1838 -0.0142 0.0046 0.0063 149 GLY A N 991 C CA . GLY A 131 ? 0.2118 0.3273 0.1836 -0.0093 0.0094 0.0093 149 GLY A CA 992 C C . GLY A 131 ? 0.2250 0.3414 0.1982 -0.0119 0.0124 0.0107 149 GLY A C 993 O O . GLY A 131 ? 0.2094 0.3315 0.1879 -0.0177 0.0109 0.0098 149 GLY A O 994 N N . ARG A 132 ? 0.2341 0.3439 0.2017 -0.0074 0.0168 0.0130 150 ARG A N 995 C CA . ARG A 132 ? 0.2643 0.3708 0.2301 -0.0088 0.0204 0.0145 150 ARG A CA 996 C C . ARG A 132 ? 0.2722 0.3944 0.2467 -0.0116 0.0208 0.0153 150 ARG A C 997 O O . ARG A 132 ? 0.2712 0.4076 0.2508 -0.0075 0.0216 0.0166 150 ARG A O 998 C CB . ARG A 132 ? 0.2836 0.3860 0.2429 -0.0012 0.0255 0.0172 150 ARG A CB 999 C CG . ARG A 132 ? 0.3084 0.4087 0.2652 -0.0011 0.0300 0.0190 150 ARG A CG 1000 C CD . ARG A 132 ? 0.3300 0.4239 0.2784 0.0072 0.0349 0.0213 150 ARG A CD 1001 N NE . ARG A 132 ? 0.3433 0.4397 0.2903 0.0095 0.0397 0.0235 150 ARG A NE 1002 C CZ . ARG A 132 ? 0.3539 0.4390 0.2950 0.0062 0.0414 0.0233 150 ARG A CZ 1003 N NH1 . ARG A 132 ? 0.3205 0.3914 0.2569 0.0007 0.0382 0.0209 150 ARG A NH1 1004 N NH2 . ARG A 132 ? 0.3757 0.4643 0.3154 0.0089 0.0464 0.0255 150 ARG A NH2 1005 N N . ASN A 133 ? 0.2662 0.3856 0.2420 -0.0186 0.0204 0.0146 151 ASN A N 1006 C CA . ASN A 133 ? 0.2873 0.4204 0.2711 -0.0228 0.0211 0.0154 151 ASN A CA 1007 C C . ASN A 133 ? 0.2839 0.4335 0.2770 -0.0246 0.0174 0.0142 151 ASN A C 1008 O O . ASN A 133 ? 0.3002 0.4653 0.3011 -0.0265 0.0186 0.0154 151 ASN A O 1009 C CB . ASN A 133 ? 0.2768 0.4176 0.2614 -0.0183 0.0272 0.0189 151 ASN A CB 1010 C CG . ASN A 133 ? 0.2850 0.4101 0.2602 -0.0178 0.0310 0.0200 151 ASN A CG 1011 O OD1 . ASN A 133 ? 0.3222 0.4455 0.2926 -0.0111 0.0356 0.0222 151 ASN A OD1 1012 N ND2 . ASN A 133 ? 0.2544 0.3690 0.2266 -0.0240 0.0294 0.0187 151 ASN A ND2 1013 N N . ARG A 134 ? 0.2818 0.4291 0.2744 -0.0246 0.0129 0.0117 152 ARG A N 1014 C CA . ARG A 134 ? 0.2932 0.4554 0.2939 -0.0276 0.0087 0.0100 152 ARG A CA 1015 C C . ARG A 134 ? 0.2573 0.4133 0.2577 -0.0346 0.0034 0.0063 152 ARG A C 1016 O O . ARG A 134 ? 0.2225 0.3881 0.2275 -0.0366 -0.0005 0.0043 152 ARG A O 1017 C CB . ARG A 134 ? 0.3244 0.4975 0.3269 -0.0198 0.0085 0.0109 152 ARG A CB 1018 C CG . ARG A 134 ? 0.3516 0.5139 0.3471 -0.0150 0.0073 0.0101 152 ARG A CG 1019 C CD . ARG A 134 ? 0.4075 0.5717 0.3996 -0.0050 0.0117 0.0133 152 ARG A CD 1020 N NE . ARG A 134 ? 0.4134 0.5965 0.4128 -0.0020 0.0129 0.0153 152 ARG A NE 1021 C CZ . ARG A 134 ? 0.4437 0.6328 0.4415 0.0073 0.0161 0.0181 152 ARG A CZ 1022 N NH1 . ARG A 134 ? 0.4996 0.6747 0.4879 0.0134 0.0184 0.0192 152 ARG A NH1 1023 N NH2 . ARG A 134 ? 0.3831 0.5929 0.3891 0.0103 0.0169 0.0199 152 ARG A NH2 1024 N N . GLY A 135 ? 0.2324 0.3727 0.2272 -0.0385 0.0037 0.0056 154 GLY A N 1025 C CA . GLY A 135 ? 0.2416 0.3735 0.2349 -0.0459 -0.0004 0.0025 154 GLY A CA 1026 C C . GLY A 135 ? 0.2340 0.3599 0.2236 -0.0432 -0.0042 -0.0001 154 GLY A C 1027 O O . GLY A 135 ? 0.2207 0.3429 0.2067 -0.0368 -0.0031 0.0006 154 GLY A O 1028 N N . ILE A 136 ? 0.2521 0.3766 0.2423 -0.0485 -0.0086 -0.0032 155 ILE A N 1029 C CA . ILE A 136 ? 0.2550 0.3716 0.2407 -0.0473 -0.0124 -0.0062 155 ILE A CA 1030 C C . ILE A 136 ? 0.2679 0.3942 0.2574 -0.0503 -0.0169 -0.0091 155 ILE A C 1031 O O . ILE A 136 ? 0.2612 0.3946 0.2554 -0.0570 -0.0181 -0.0097 155 ILE A O 1032 C CB . ILE A 136 ? 0.2520 0.3510 0.2310 -0.0507 -0.0134 -0.0076 155 ILE A CB 1033 C CG1 . ILE A 136 ? 0.2583 0.3495 0.2325 -0.0476 -0.0165 -0.0103 155 ILE A CG1 1034 C CG2 . ILE A 136 ? 0.2763 0.3735 0.2562 -0.0594 -0.0152 -0.0090 155 ILE A CG2 1035 C CD1 . ILE A 136 ? 0.2539 0.3290 0.2213 -0.0483 -0.0172 -0.0113 155 ILE A CD1 1036 N N . ALA A 137 ? 0.2697 0.3949 0.2563 -0.0460 -0.0196 -0.0111 156 ALA A N 1037 C CA . ALA A 137 ? 0.2663 0.3994 0.2546 -0.0476 -0.0242 -0.0142 156 ALA A CA 1038 C C . ALA A 137 ? 0.2802 0.4040 0.2658 -0.0558 -0.0276 -0.0175 156 ALA A C 1039 O O . ALA A 137 ? 0.2939 0.4022 0.2736 -0.0569 -0.0270 -0.0180 156 ALA A O 1040 C CB . ALA A 137 ? 0.2738 0.4038 0.2574 -0.0409 -0.0256 -0.0154 156 ALA A CB 1041 N N . SER A 138 ? 0.2904 0.4232 0.2798 -0.0614 -0.0310 -0.0196 157 SER A N 1042 C CA . SER A 138 ? 0.3031 0.4274 0.2881 -0.0682 -0.0356 -0.0240 157 SER A CA 1043 C C . SER A 138 ? 0.2891 0.4133 0.2698 -0.0643 -0.0398 -0.0275 157 SER A C 1044 O O . SER A 138 ? 0.3017 0.4122 0.2745 -0.0639 -0.0420 -0.0304 157 SER A O 1045 C CB . SER A 138 ? 0.3252 0.4612 0.3172 -0.0773 -0.0372 -0.0246 157 SER A CB 1046 O OG . SER A 138 ? 0.3823 0.5064 0.3718 -0.0832 -0.0349 -0.0235 157 SER A OG 1047 N N . VAL A 139 ? 0.2689 0.4096 0.2548 -0.0606 -0.0406 -0.0268 158 VAL A N 1048 C CA . VAL A 139 ? 0.2658 0.4107 0.2487 -0.0566 -0.0444 -0.0296 158 VAL A CA 1049 C C . VAL A 139 ? 0.2381 0.3814 0.2182 -0.0463 -0.0413 -0.0271 158 VAL A C 1050 O O . VAL A 139 ? 0.2251 0.3725 0.2087 -0.0424 -0.0368 -0.0229 158 VAL A O 1051 C CB . VAL A 139 ? 0.2691 0.4348 0.2601 -0.0586 -0.0469 -0.0296 158 VAL A CB 1052 C CG1 . VAL A 139 ? 0.2662 0.4389 0.2545 -0.0523 -0.0501 -0.0312 158 VAL A CG1 1053 C CG2 . VAL A 139 ? 0.2897 0.4567 0.2832 -0.0702 -0.0506 -0.0326 158 VAL A CG2 1054 N N . LEU A 140 ? 0.2292 0.3653 0.2021 -0.0424 -0.0433 -0.0296 159 LEU A N 1055 C CA . LEU A 140 ? 0.2258 0.3606 0.1957 -0.0334 -0.0404 -0.0274 159 LEU A CA 1056 C C . LEU A 140 ? 0.2123 0.3618 0.1872 -0.0282 -0.0383 -0.0238 159 LEU A C 1057 O O . LEU A 140 ? 0.2060 0.3684 0.1840 -0.0286 -0.0414 -0.0248 159 LEU A O 1058 C CB . LEU A 140 ? 0.2345 0.3652 0.1970 -0.0296 -0.0433 -0.0306 159 LEU A CB 1059 C CG . LEU A 140 ? 0.2291 0.3583 0.1875 -0.0209 -0.0405 -0.0288 159 LEU A CG 1060 C CD1 . LEU A 140 ? 0.2265 0.3441 0.1834 -0.0200 -0.0366 -0.0270 159 LEU A CD1 1061 C CD2 . LEU A 140 ? 0.2400 0.3662 0.1911 -0.0190 -0.0444 -0.0330 159 LEU A CD2 1062 N N . GLN A 141 ? 0.1935 0.3402 0.1683 -0.0231 -0.0334 -0.0199 160 GLN A N 1063 C CA . GLN A 141 ? 0.1913 0.3492 0.1689 -0.0170 -0.0309 -0.0163 160 GLN A CA 1064 C C . GLN A 141 ? 0.1951 0.3501 0.1664 -0.0093 -0.0298 -0.0155 160 GLN A C 1065 O O . GLN A 141 ? 0.1919 0.3352 0.1579 -0.0085 -0.0289 -0.0164 160 GLN A O 1066 C CB . GLN A 141 ? 0.1872 0.3434 0.1676 -0.0163 -0.0259 -0.0124 160 GLN A CB 1067 C CG . GLN A 141 ? 0.1897 0.3481 0.1758 -0.0236 -0.0259 -0.0125 160 GLN A CG 1068 C CD . GLN A 141 ? 0.1965 0.3729 0.1901 -0.0249 -0.0275 -0.0120 160 GLN A CD 1069 O OE1 . GLN A 141 ? 0.2298 0.4097 0.2268 -0.0324 -0.0307 -0.0146 160 GLN A OE1 1070 N NE2 . GLN A 141 ? 0.1762 0.3633 0.1723 -0.0184 -0.0250 -0.0087 160 GLN A NE2 1071 N N . GLU A 142 ? 0.1970 0.3628 0.1687 -0.0034 -0.0296 -0.0134 161 GLU A N 1072 C CA . GLU A 142 ? 0.2016 0.3644 0.1669 0.0041 -0.0274 -0.0116 161 GLU A CA 1073 C C . GLU A 142 ? 0.2037 0.3718 0.1699 0.0102 -0.0233 -0.0068 161 GLU A C 1074 O O . GLU A 142 ? 0.1995 0.3765 0.1717 0.0091 -0.0230 -0.0054 161 GLU A O 1075 C CB . GLU A 142 ? 0.2066 0.3745 0.1678 0.0063 -0.0319 -0.0145 161 GLU A CB 1076 C CG . GLU A 142 ? 0.2162 0.4003 0.1813 0.0081 -0.0351 -0.0143 161 GLU A CG 1077 C CD . GLU A 142 ? 0.2241 0.4141 0.1849 0.0098 -0.0404 -0.0176 161 GLU A CD 1078 O OE1 . GLU A 142 ? 0.2324 0.4185 0.1912 0.0048 -0.0443 -0.0221 161 GLU A OE1 1079 O OE2 . GLU A 142 ? 0.2212 0.4196 0.1798 0.0167 -0.0405 -0.0155 161 GLU A OE2 1080 N N . LEU A 143 ? 0.2118 0.3747 0.1715 0.0169 -0.0201 -0.0041 162 LEU A N 1081 C CA . LEU A 143 ? 0.2231 0.3856 0.1808 0.0231 -0.0152 0.0006 162 LEU A CA 1082 C C . LEU A 143 ? 0.2355 0.3930 0.1844 0.0303 -0.0129 0.0028 162 LEU A C 1083 O O . LEU A 143 ? 0.2379 0.3850 0.1822 0.0294 -0.0114 0.0023 162 LEU A O 1084 C CB . LEU A 143 ? 0.2326 0.3842 0.1908 0.0203 -0.0109 0.0022 162 LEU A CB 1085 C CG . LEU A 143 ? 0.2427 0.3890 0.1964 0.0263 -0.0053 0.0068 162 LEU A CG 1086 C CD1 . LEU A 143 ? 0.2536 0.4116 0.2112 0.0298 -0.0051 0.0088 162 LEU A CD1 1087 C CD2 . LEU A 143 ? 0.2421 0.3748 0.1942 0.0226 -0.0017 0.0076 162 LEU A CD2 1088 N N . ASN A 144 ? 0.2407 0.4064 0.1873 0.0376 -0.0125 0.0055 163 ASN A N 1089 C CA . ASN A 144 ? 0.2471 0.4078 0.1844 0.0453 -0.0097 0.0086 163 ASN A CA 1090 C C . ASN A 144 ? 0.2489 0.3952 0.1815 0.0465 -0.0031 0.0123 163 ASN A C 1091 O O . ASN A 144 ? 0.2273 0.3731 0.1620 0.0472 -0.0007 0.0143 163 ASN A O 1092 C CB . ASN A 144 ? 0.2682 0.4416 0.2043 0.0534 -0.0111 0.0108 163 ASN A CB 1093 C CG . ASN A 144 ? 0.2804 0.4668 0.2184 0.0531 -0.0177 0.0073 163 ASN A CG 1094 O OD1 . ASN A 144 ? 0.2613 0.4577 0.2076 0.0473 -0.0222 0.0039 163 ASN A OD1 1095 N ND2 . ASN A 144 ? 0.3016 0.4866 0.2308 0.0590 -0.0181 0.0080 163 ASN A ND2 1096 N N . VAL A 145 ? 0.2505 0.3849 0.1768 0.0460 -0.0003 0.0129 164 VAL A N 1097 C CA . VAL A 145 ? 0.2474 0.3678 0.1682 0.0466 0.0056 0.0164 164 VAL A CA 1098 C C . VAL A 145 ? 0.2667 0.3812 0.1779 0.0518 0.0084 0.0190 164 VAL A C 1099 O O . VAL A 145 ? 0.2735 0.3938 0.1830 0.0538 0.0057 0.0176 164 VAL A O 1100 C CB . VAL A 145 ? 0.2421 0.3542 0.1666 0.0385 0.0063 0.0142 164 VAL A CB 1101 C CG1 . VAL A 145 ? 0.2390 0.3573 0.1725 0.0331 0.0030 0.0113 164 VAL A CG1 1102 C CG2 . VAL A 145 ? 0.2483 0.3585 0.1719 0.0356 0.0050 0.0117 164 VAL A CG2 1103 N N . THR A 146 ? 0.2736 0.3755 0.1780 0.0532 0.0139 0.0225 165 THR A N 1104 C CA . THR A 146 ? 0.2935 0.3879 0.1875 0.0582 0.0176 0.0260 165 THR A CA 1105 C C . THR A 146 ? 0.2879 0.3688 0.1797 0.0520 0.0219 0.0265 165 THR A C 1106 O O . THR A 146 ? 0.2727 0.3467 0.1668 0.0476 0.0235 0.0265 165 THR A O 1107 C CB . THR A 146 ? 0.3122 0.4019 0.1991 0.0656 0.0211 0.0304 165 THR A CB 1108 O OG1 . THR A 146 ? 0.3371 0.4410 0.2264 0.0717 0.0172 0.0301 165 THR A OG1 1109 C CG2 . THR A 146 ? 0.3476 0.4254 0.2217 0.0708 0.0261 0.0348 165 THR A CG2 1110 N N . VAL A 147 ? 0.2834 0.3609 0.1704 0.0518 0.0236 0.0272 166 VAL A N 1111 C CA . VAL A 147 ? 0.2917 0.3584 0.1768 0.0461 0.0278 0.0280 166 VAL A CA 1112 C C . VAL A 147 ? 0.3099 0.3620 0.1860 0.0474 0.0335 0.0325 166 VAL A C 1113 O O . VAL A 147 ? 0.3073 0.3553 0.1740 0.0548 0.0360 0.0362 166 VAL A O 1114 C CB . VAL A 147 ? 0.2838 0.3522 0.1662 0.0460 0.0287 0.0279 166 VAL A CB 1115 C CG1 . VAL A 147 ? 0.2843 0.3424 0.1646 0.0403 0.0337 0.0296 166 VAL A CG1 1116 C CG2 . VAL A 147 ? 0.2723 0.3514 0.1638 0.0426 0.0234 0.0228 166 VAL A CG2 1117 N N . VAL A 148 ? 0.3081 0.3516 0.1862 0.0406 0.0356 0.0321 167 VAL A N 1118 C CA . VAL A 148 ? 0.3293 0.3566 0.1978 0.0402 0.0411 0.0359 167 VAL A CA 1119 C C . VAL A 148 ? 0.3464 0.3661 0.2158 0.0313 0.0439 0.0356 167 VAL A C 1120 O O . VAL A 148 ? 0.3221 0.3483 0.2012 0.0251 0.0409 0.0320 167 VAL A O 1121 C CB . VAL A 148 ? 0.3327 0.3544 0.2007 0.0410 0.0413 0.0360 167 VAL A CB 1122 C CG1 . VAL A 148 ? 0.3355 0.3652 0.2027 0.0502 0.0393 0.0370 167 VAL A CG1 1123 C CG2 . VAL A 148 ? 0.3113 0.3367 0.1895 0.0337 0.0382 0.0322 167 VAL A CG2 1124 N N . THR A 149 ? 0.3747 0.3803 0.2337 0.0305 0.0495 0.0394 168 THR A N 1125 C CA . THR A 149 ? 0.4068 0.4049 0.2659 0.0216 0.0526 0.0396 168 THR A CA 1126 C C . THR A 149 ? 0.4293 0.4127 0.2836 0.0172 0.0550 0.0404 168 THR A C 1127 O O . THR A 149 ? 0.4445 0.4246 0.3022 0.0085 0.0555 0.0391 168 THR A O 1128 C CB . THR A 149 ? 0.4274 0.4195 0.2776 0.0225 0.0577 0.0435 168 THR A CB 1129 O OG1 . THR A 149 ? 0.4554 0.4367 0.2927 0.0302 0.0608 0.0475 168 THR A OG1 1130 C CG2 . THR A 149 ? 0.4201 0.4262 0.2749 0.0255 0.0556 0.0424 168 THR A CG2 1131 N N . SER A 150 ? 0.4531 0.4281 0.2995 0.0234 0.0560 0.0421 169 SER A N 1132 C CA . SER A 150 ? 0.4518 0.4117 0.2923 0.0201 0.0580 0.0425 169 SER A CA 1133 C C . SER A 150 ? 0.4371 0.4044 0.2886 0.0154 0.0535 0.0381 169 SER A C 1134 O O . SER A 150 ? 0.3789 0.3605 0.2393 0.0186 0.0491 0.0357 169 SER A O 1135 C CB . SER A 150 ? 0.4943 0.4436 0.3221 0.0301 0.0608 0.0459 169 SER A CB 1136 O OG . SER A 150 ? 0.5372 0.4740 0.3601 0.0288 0.0619 0.0455 169 SER A OG 1137 N N . LEU A 151 ? 0.4293 0.3870 0.2800 0.0071 0.0544 0.0369 170 LEU A N 1138 C CA . LEU A 151 ? 0.4220 0.3846 0.2815 0.0019 0.0503 0.0330 170 LEU A CA 1139 C C . LEU A 151 ? 0.3862 0.3668 0.2602 -0.0018 0.0457 0.0296 170 LEU A C 1140 O O . LEU A 151 ? 0.3439 0.3322 0.2258 -0.0028 0.0416 0.0266 170 LEU A O 1141 C CB . LEU A 151 ? 0.4288 0.3922 0.2877 0.0083 0.0487 0.0324 170 LEU A CB 1142 C CG . LEU A 151 ? 0.4858 0.4342 0.3313 0.0147 0.0527 0.0353 170 LEU A CG 1143 C CD1 . LEU A 151 ? 0.4807 0.4324 0.3283 0.0192 0.0509 0.0340 170 LEU A CD1 1144 C CD2 . LEU A 151 ? 0.5164 0.4440 0.3505 0.0089 0.0567 0.0364 170 LEU A CD2 1145 N N . CYS A 152 ? 0.3614 0.3472 0.2373 -0.0035 0.0469 0.0305 172 CYS A N 1146 C CA . CYS A 152 ? 0.3427 0.3442 0.2300 -0.0054 0.0433 0.0278 172 CYS A CA 1147 C C . CYS A 152 ? 0.3489 0.3503 0.2377 -0.0123 0.0456 0.0284 172 CYS A C 1148 O O . CYS A 152 ? 0.3510 0.3435 0.2316 -0.0128 0.0503 0.0317 172 CYS A O 1149 C CB . CYS A 152 ? 0.3423 0.3537 0.2305 0.0019 0.0424 0.0284 172 CYS A CB 1150 S SG . CYS A 152 ? 0.3043 0.3338 0.2053 0.0011 0.0371 0.0243 172 CYS A SG 1151 N N . ARG A 153 ? 0.3315 0.3419 0.2303 -0.0178 0.0424 0.0253 181 ARG A N 1152 C CA . ARG A 153 ? 0.3182 0.3326 0.2205 -0.0238 0.0444 0.0258 181 ARG A CA 1153 C C . ARG A 153 ? 0.3111 0.3358 0.2153 -0.0193 0.0454 0.0267 181 ARG A C 1154 O O . ARG A 153 ? 0.2829 0.3152 0.1893 -0.0126 0.0426 0.0253 181 ARG A O 1155 C CB . ARG A 153 ? 0.3122 0.3348 0.2248 -0.0297 0.0403 0.0222 181 ARG A CB 1156 C CG . ARG A 153 ? 0.3150 0.3281 0.2256 -0.0346 0.0388 0.0209 181 ARG A CG 1157 C CD . ARG A 153 ? 0.3036 0.3261 0.2242 -0.0387 0.0340 0.0173 181 ARG A CD 1158 N NE . ARG A 153 ? 0.3169 0.3298 0.2345 -0.0427 0.0323 0.0160 181 ARG A NE 1159 C CZ . ARG A 153 ? 0.3165 0.3241 0.2309 -0.0389 0.0304 0.0151 181 ARG A CZ 1160 N NH1 . ARG A 153 ? 0.3089 0.3206 0.2236 -0.0312 0.0297 0.0153 181 ARG A NH1 1161 N NH2 . ARG A 153 ? 0.3069 0.3051 0.2175 -0.0426 0.0293 0.0139 181 ARG A NH2 1162 N N . ARG A 154 ? 0.3262 0.3521 0.2301 -0.0234 0.0494 0.0286 182 ARG A N 1163 C CA . ARG A 154 ? 0.3463 0.3836 0.2528 -0.0195 0.0506 0.0292 182 ARG A CA 1164 C C . ARG A 154 ? 0.3011 0.3536 0.2187 -0.0185 0.0459 0.0253 182 ARG A C 1165 O O . ARG A 154 ? 0.2897 0.3506 0.2083 -0.0132 0.0455 0.0248 182 ARG A O 1166 C CB . ARG A 154 ? 0.4121 0.4476 0.3160 -0.0248 0.0565 0.0325 182 ARG A CB 1167 C CG . ARG A 154 ? 0.5040 0.5214 0.3941 -0.0244 0.0613 0.0367 182 ARG A CG 1168 C CD . ARG A 154 ? 0.6194 0.6327 0.5021 -0.0252 0.0679 0.0412 182 ARG A CD 1169 N NE . ARG A 154 ? 0.7074 0.7326 0.5919 -0.0185 0.0681 0.0413 182 ARG A NE 1170 C CZ . ARG A 154 ? 0.8144 0.8370 0.6911 -0.0162 0.0735 0.0453 182 ARG A CZ 1171 N NH1 . ARG A 154 ? 0.9319 0.9393 0.7979 -0.0198 0.0794 0.0497 182 ARG A NH1 1172 N NH2 . ARG A 154 ? 0.8002 0.8341 0.6785 -0.0101 0.0732 0.0449 182 ARG A NH2 1173 N N . SER A 155 ? 0.2664 0.3213 0.1910 -0.0226 0.0420 0.0223 183 SER A N 1174 C CA . SER A 155 ? 0.2489 0.3161 0.1829 -0.0214 0.0373 0.0186 183 SER A CA 1175 C C . SER A 155 ? 0.2372 0.3046 0.1712 -0.0157 0.0326 0.0161 183 SER A C 1176 O O . SER A 155 ? 0.2422 0.3167 0.1827 -0.0151 0.0283 0.0128 183 SER A O 1177 C CB . SER A 155 ? 0.2429 0.3126 0.1838 -0.0285 0.0354 0.0169 183 SER A CB 1178 O OG . SER A 155 ? 0.2587 0.3170 0.1959 -0.0318 0.0343 0.0168 183 SER A OG 1179 N N . ASN A 156 ? 0.2395 0.2995 0.1661 -0.0116 0.0335 0.0177 184 ASN A N 1180 C CA . ASN A 156 ? 0.2354 0.2973 0.1621 -0.0062 0.0294 0.0157 184 ASN A CA 1181 C C . ASN A 156 ? 0.2451 0.3062 0.1650 0.0000 0.0313 0.0179 184 ASN A C 1182 O O . ASN A 156 ? 0.2658 0.3212 0.1790 0.0003 0.0360 0.0214 184 ASN A O 1183 C CB . ASN A 156 ? 0.2323 0.2864 0.1577 -0.0077 0.0279 0.0154 184 ASN A CB 1184 C CG . ASN A 156 ? 0.2217 0.2774 0.1539 -0.0129 0.0246 0.0126 184 ASN A CG 1185 O OD1 . ASN A 156 ? 0.2165 0.2655 0.1477 -0.0180 0.0257 0.0132 184 ASN A OD1 1186 N ND2 . ASN A 156 ? 0.2120 0.2760 0.1502 -0.0115 0.0205 0.0095 184 ASN A ND2 1187 N N . VAL A 157 ? 0.2446 0.3111 0.1655 0.0049 0.0275 0.0158 185 VAL A N 1188 C CA . VAL A 157 ? 0.2477 0.3133 0.1622 0.0113 0.0278 0.0175 185 VAL A CA 1189 C C . VAL A 157 ? 0.2369 0.2993 0.1524 0.0112 0.0256 0.0169 185 VAL A C 1190 O O . VAL A 157 ? 0.2210 0.2873 0.1429 0.0088 0.0216 0.0138 185 VAL A O 1191 C CB . VAL A 157 ? 0.2503 0.3254 0.1662 0.0161 0.0239 0.0149 185 VAL A CB 1192 C CG1 . VAL A 157 ? 0.2689 0.3442 0.1781 0.0226 0.0241 0.0168 185 VAL A CG1 1193 C CG2 . VAL A 157 ? 0.2785 0.3584 0.1945 0.0165 0.0253 0.0144 185 VAL A CG2 1194 N N . CYS A 158 ? 0.2389 0.2938 0.1475 0.0139 0.0284 0.0201 186 CYS A N 1195 C CA . CYS A 158 ? 0.2441 0.2966 0.1530 0.0149 0.0270 0.0199 186 CYS A CA 1196 C C . CYS A 158 ? 0.2388 0.2962 0.1445 0.0225 0.0259 0.0210 186 CYS A C 1197 O O . CYS A 158 ? 0.2305 0.2879 0.1300 0.0273 0.0279 0.0233 186 CYS A O 1198 C CB . CYS A 158 ? 0.2631 0.3024 0.1662 0.0125 0.0310 0.0225 186 CYS A CB 1199 S SG . CYS A 158 ? 0.2660 0.3011 0.1736 0.0030 0.0311 0.0207 186 CYS A SG 1200 N N . THR A 159 ? 0.2260 0.2875 0.1357 0.0234 0.0231 0.0197 187 THR A N 1201 C CA . THR A 159 ? 0.2347 0.3025 0.1427 0.0300 0.0218 0.0207 187 THR A CA 1202 C C . THR A 159 ? 0.2503 0.3152 0.1576 0.0318 0.0228 0.0220 187 THR A C 1203 O O . THR A 159 ? 0.2472 0.3076 0.1575 0.0270 0.0230 0.0209 187 THR A O 1204 C CB . THR A 159 ? 0.2286 0.3097 0.1436 0.0302 0.0163 0.0171 187 THR A CB 1205 O OG1 . THR A 159 ? 0.2329 0.3164 0.1556 0.0248 0.0134 0.0141 187 THR A OG1 1206 C CG2 . THR A 159 ? 0.2275 0.3116 0.1425 0.0293 0.0151 0.0153 187 THR A CG2 1207 N N . LEU A 160 ? 0.2598 0.3291 0.1638 0.0391 0.0231 0.0241 188 LEU A N 1208 C CA . LEU A 160 ? 0.2874 0.3552 0.1904 0.0422 0.0245 0.0257 188 LEU A CA 1209 C C . LEU A 160 ? 0.2894 0.3711 0.1947 0.0492 0.0220 0.0262 188 LEU A C 1210 O O . LEU A 160 ? 0.3249 0.4125 0.2282 0.0532 0.0205 0.0266 188 LEU A O 1211 C CB . LEU A 160 ? 0.3017 0.3530 0.1934 0.0447 0.0303 0.0294 188 LEU A CB 1212 C CG . LEU A 160 ? 0.3116 0.3583 0.1998 0.0487 0.0327 0.0313 188 LEU A CG 1213 C CD1 . LEU A 160 ? 0.3040 0.3456 0.1963 0.0414 0.0325 0.0290 188 LEU A CD1 1214 C CD2 . LEU A 160 ? 0.3462 0.3774 0.2205 0.0545 0.0382 0.0356 188 LEU A CD2 1215 N N . VAL A 161 ? 0.2892 0.3772 0.1995 0.0500 0.0211 0.0259 189 VAL A N 1216 C CA . VAL A 161 ? 0.3017 0.4041 0.2150 0.0565 0.0190 0.0266 189 VAL A CA 1217 C C . VAL A 161 ? 0.3432 0.4380 0.2489 0.0636 0.0239 0.0306 189 VAL A C 1218 O O . VAL A 161 ? 0.3843 0.4728 0.2907 0.0610 0.0262 0.0306 189 VAL A O 1219 C CB . VAL A 161 ? 0.2818 0.3981 0.2074 0.0511 0.0146 0.0232 189 VAL A CB 1220 C CG1 . VAL A 161 ? 0.2907 0.4239 0.2206 0.0572 0.0125 0.0240 189 VAL A CG1 1221 C CG2 . VAL A 161 ? 0.2790 0.3996 0.2100 0.0445 0.0101 0.0192 189 VAL A CG2 1222 N N . ARG A 162 ? 0.3546 0.4476 0.2517 0.0725 0.0260 0.0340 190 ARG A N 1223 C CA . ARG A 162 ? 0.3779 0.4612 0.2657 0.0802 0.0309 0.0379 190 ARG A CA 1224 C C . ARG A 162 ? 0.3739 0.4728 0.2678 0.0863 0.0298 0.0386 190 ARG A C 1225 O O . ARG A 162 ? 0.3528 0.4714 0.2556 0.0876 0.0252 0.0372 190 ARG A O 1226 C CB . ARG A 162 ? 0.4092 0.4824 0.2836 0.0881 0.0341 0.0418 190 ARG A CB 1227 C CG . ARG A 162 ? 0.4109 0.4634 0.2760 0.0830 0.0379 0.0427 190 ARG A CG 1228 C CD . ARG A 162 ? 0.4211 0.4553 0.2777 0.0829 0.0431 0.0444 190 ARG A CD 1229 N NE . ARG A 162 ? 0.4294 0.4442 0.2769 0.0776 0.0467 0.0453 190 ARG A NE 1230 C CZ . ARG A 162 ? 0.4405 0.4360 0.2783 0.0762 0.0513 0.0467 190 ARG A CZ 1231 N NH1 . ARG A 162 ? 0.4453 0.4376 0.2805 0.0807 0.0530 0.0474 190 ARG A NH1 1232 N NH2 . ARG A 162 ? 0.4480 0.4275 0.2785 0.0702 0.0542 0.0474 190 ARG A NH2 1233 N N . GLY A 163 ? 0.3893 0.4799 0.2787 0.0894 0.0341 0.0405 191 GLY A N 1234 C CA . GLY A 163 ? 0.4089 0.5127 0.3023 0.0968 0.0344 0.0419 191 GLY A CA 1235 C C . GLY A 163 ? 0.3991 0.5182 0.3067 0.0902 0.0316 0.0389 191 GLY A C 1236 O O . GLY A 163 ? 0.4078 0.5413 0.3206 0.0955 0.0316 0.0400 191 GLY A O 1237 N N . ARG A 164 ? 0.3943 0.5115 0.3083 0.0790 0.0291 0.0353 192 ARG A N 1238 C CA . ARG A 164 ? 0.3865 0.5155 0.3124 0.0723 0.0268 0.0327 192 ARG A CA 1239 C C . ARG A 164 ? 0.3814 0.4990 0.3088 0.0611 0.0259 0.0296 192 ARG A C 1240 O O . ARG A 164 ? 0.3755 0.4805 0.2968 0.0587 0.0261 0.0292 192 ARG A O 1241 C CB . ARG A 164 ? 0.3796 0.5312 0.3170 0.0710 0.0212 0.0309 192 ARG A CB 1242 C CG . ARG A 164 ? 0.3281 0.4819 0.2669 0.0669 0.0165 0.0284 192 ARG A CG 1243 C CD . ARG A 164 ? 0.2999 0.4767 0.2480 0.0681 0.0112 0.0270 192 ARG A CD 1244 N NE . ARG A 164 ? 0.2831 0.4616 0.2342 0.0610 0.0060 0.0232 192 ARG A NE 1245 C CZ . ARG A 164 ? 0.2624 0.4443 0.2214 0.0511 0.0025 0.0193 192 ARG A CZ 1246 N NH1 . ARG A 164 ? 0.2522 0.4374 0.2181 0.0460 0.0032 0.0186 192 ARG A NH1 1247 N NH2 . ARG A 164 ? 0.2674 0.4483 0.2265 0.0466 -0.0015 0.0161 192 ARG A NH2 1248 N N . GLN A 165 ? 0.3644 0.4870 0.2995 0.0550 0.0251 0.0278 194 GLN A N 1249 C CA . GLN A 165 ? 0.3683 0.4805 0.3044 0.0456 0.0245 0.0252 194 GLN A CA 1250 C C . GLN A 165 ? 0.3013 0.4236 0.2464 0.0386 0.0190 0.0218 194 GLN A C 1251 O O . GLN A 165 ? 0.2741 0.4089 0.2281 0.0350 0.0167 0.0204 194 GLN A O 1252 C CB . GLN A 165 ? 0.4204 0.5305 0.3581 0.0432 0.0270 0.0253 194 GLN A CB 1253 C CG . GLN A 165 ? 0.5512 0.6480 0.4783 0.0496 0.0328 0.0282 194 GLN A CG 1254 C CD . GLN A 165 ? 0.6927 0.7954 0.6156 0.0613 0.0354 0.0317 194 GLN A CD 1255 O OE1 . GLN A 165 ? 0.7271 0.8451 0.6553 0.0666 0.0363 0.0332 194 GLN A OE1 1256 N NE2 . GLN A 165 ? 0.7889 0.8803 0.7021 0.0656 0.0366 0.0332 194 GLN A NE2 1257 N N . ALA A 166 ? 0.2679 0.3830 0.2101 0.0359 0.0172 0.0204 195 ALA A N 1258 C CA . ALA A 166 ? 0.2403 0.3628 0.1890 0.0302 0.0121 0.0170 195 ALA A CA 1259 C C . ALA A 166 ? 0.2225 0.3332 0.1671 0.0265 0.0116 0.0156 195 ALA A C 1260 O O . ALA A 166 ? 0.2229 0.3234 0.1599 0.0295 0.0147 0.0175 195 ALA A O 1261 C CB . ALA A 166 ? 0.2290 0.3668 0.1807 0.0349 0.0091 0.0171 195 ALA A CB 1262 N N . GLY A 167 ? 0.2112 0.3235 0.1607 0.0198 0.0078 0.0121 196 GLY A N 1263 C CA . GLY A 167 ? 0.2048 0.3076 0.1515 0.0163 0.0073 0.0106 196 GLY A CA 1264 C C . GLY A 167 ? 0.1981 0.3019 0.1503 0.0092 0.0036 0.0070 196 GLY A C 1265 O O . GLY A 167 ? 0.2062 0.3171 0.1639 0.0066 0.0016 0.0059 196 GLY A O 1266 N N . VAL A 168 ? 0.1940 0.2904 0.1445 0.0063 0.0030 0.0055 197 VAL A N 1267 C CA . VAL A 168 ? 0.1932 0.2876 0.1470 0.0005 0.0000 0.0024 197 VAL A CA 1268 C C . VAL A 168 ? 0.1932 0.2804 0.1472 -0.0030 0.0015 0.0029 197 VAL A C 1269 O O . VAL A 168 ? 0.1991 0.2806 0.1495 -0.0013 0.0051 0.0053 197 VAL A O 1270 C CB . VAL A 168 ? 0.2050 0.2953 0.1570 -0.0002 -0.0011 0.0007 197 VAL A CB 1271 C CG1 . VAL A 168 ? 0.2172 0.3138 0.1677 0.0036 -0.0022 0.0003 197 VAL A CG1 1272 C CG2 . VAL A 168 ? 0.2135 0.2946 0.1614 -0.0002 0.0024 0.0026 197 VAL A CG2 1273 N N . CYS A 169 ? 0.1853 0.2725 0.1426 -0.0078 -0.0013 0.0005 198 CYS A N 1274 C CA . CYS A 169 ? 0.1839 0.2647 0.1411 -0.0115 -0.0006 0.0005 198 CYS A CA 1275 C C . CYS A 169 ? 0.1788 0.2548 0.1366 -0.0157 -0.0038 -0.0021 198 CYS A C 1276 O O . CYS A 169 ? 0.1638 0.2412 0.1219 -0.0155 -0.0063 -0.0042 198 CYS A O 1277 C CB . CYS A 169 ? 0.1923 0.2790 0.1525 -0.0121 0.0002 0.0017 198 CYS A CB 1278 S SG . CYS A 169 ? 0.2114 0.2894 0.1686 -0.0137 0.0036 0.0035 198 CYS A SG 1279 N N . PHE A 170 ? 0.1911 0.2612 0.1483 -0.0190 -0.0036 -0.0021 199 PHE A N 1280 C CA . PHE A 170 ? 0.1922 0.2562 0.1487 -0.0223 -0.0062 -0.0042 199 PHE A CA 1281 C C . PHE A 170 ? 0.1957 0.2634 0.1543 -0.0239 -0.0097 -0.0067 199 PHE A C 1282 O O . PHE A 170 ? 0.1919 0.2660 0.1534 -0.0252 -0.0100 -0.0066 199 PHE A O 1283 C CB . PHE A 170 ? 0.1975 0.2545 0.1520 -0.0252 -0.0052 -0.0034 199 PHE A CB 1284 C CG . PHE A 170 ? 0.1947 0.2452 0.1455 -0.0243 -0.0031 -0.0021 199 PHE A CG 1285 C CD1 . PHE A 170 ? 0.2014 0.2459 0.1503 -0.0254 -0.0049 -0.0033 199 PHE A CD1 1286 C CD2 . PHE A 170 ? 0.1920 0.2417 0.1407 -0.0225 0.0003 0.0001 199 PHE A CD2 1287 C CE1 . PHE A 170 ? 0.1909 0.2296 0.1365 -0.0256 -0.0035 -0.0025 199 PHE A CE1 1288 C CE2 . PHE A 170 ? 0.1907 0.2324 0.1348 -0.0225 0.0019 0.0009 199 PHE A CE2 1289 C CZ . PHE A 170 ? 0.1896 0.2264 0.1325 -0.0244 -0.0001 -0.0004 199 PHE A CZ 1290 N N . GLY A 171 ? 0.1985 0.2630 0.1558 -0.0238 -0.0123 -0.0090 200 GLY A N 1291 C CA . GLY A 171 ? 0.2015 0.2677 0.1592 -0.0252 -0.0159 -0.0120 200 GLY A CA 1292 C C . GLY A 171 ? 0.1985 0.2716 0.1566 -0.0217 -0.0167 -0.0129 200 GLY A C 1293 O O . GLY A 171 ? 0.2015 0.2745 0.1583 -0.0219 -0.0197 -0.0157 200 GLY A O 1294 N N . ASP A 172 ? 0.1847 0.2628 0.1435 -0.0183 -0.0139 -0.0106 201 ASP A N 1295 C CA . ASP A 172 ? 0.1850 0.2684 0.1430 -0.0144 -0.0140 -0.0109 201 ASP A CA 1296 C C . ASP A 172 ? 0.1940 0.2735 0.1496 -0.0121 -0.0129 -0.0109 201 ASP A C 1297 O O . ASP A 172 ? 0.1942 0.2771 0.1482 -0.0087 -0.0132 -0.0116 201 ASP A O 1298 C CB . ASP A 172 ? 0.1845 0.2741 0.1430 -0.0112 -0.0113 -0.0080 201 ASP A CB 1299 C CG . ASP A 172 ? 0.1879 0.2851 0.1500 -0.0126 -0.0121 -0.0076 201 ASP A CG 1300 O OD1 . ASP A 172 ? 0.1919 0.2923 0.1556 -0.0154 -0.0156 -0.0101 201 ASP A OD1 1301 O OD2 . ASP A 172 ? 0.1825 0.2821 0.1453 -0.0108 -0.0092 -0.0048 201 ASP A OD2 1302 N N . SER A 173 ? 0.1896 0.2628 0.1450 -0.0138 -0.0120 -0.0104 202 SER A N 1303 C CA . SER A 173 ? 0.1921 0.2630 0.1464 -0.0123 -0.0115 -0.0107 202 SER A CA 1304 C C . SER A 173 ? 0.1854 0.2581 0.1386 -0.0103 -0.0140 -0.0136 202 SER A C 1305 O O . SER A 173 ? 0.1838 0.2543 0.1361 -0.0116 -0.0171 -0.0161 202 SER A O 1306 C CB . SER A 173 ? 0.1896 0.2544 0.1441 -0.0149 -0.0120 -0.0109 202 SER A CB 1307 O OG . SER A 173 ? 0.1924 0.2545 0.1467 -0.0166 -0.0097 -0.0086 202 SER A OG 1308 N N . GLY A 174 ? 0.1823 0.2578 0.1347 -0.0072 -0.0124 -0.0132 203 GLY A N 1309 C CA . GLY A 174 ? 0.1890 0.2659 0.1395 -0.0043 -0.0142 -0.0158 203 GLY A CA 1310 C C . GLY A 174 ? 0.1934 0.2745 0.1414 -0.0019 -0.0154 -0.0171 203 GLY A C 1311 O O . GLY A 174 ? 0.1785 0.2607 0.1238 0.0011 -0.0162 -0.0190 203 GLY A O 1312 N N . SER A 175 ? 0.1932 0.2773 0.1420 -0.0029 -0.0154 -0.0158 204 SER A N 1313 C CA . SER A 175 ? 0.1935 0.2827 0.1404 -0.0010 -0.0173 -0.0171 204 SER A CA 1314 C C . SER A 175 ? 0.1996 0.2931 0.1440 0.0035 -0.0145 -0.0151 204 SER A C 1315 O O . SER A 175 ? 0.1985 0.2914 0.1435 0.0042 -0.0106 -0.0119 204 SER A O 1316 C CB . SER A 175 ? 0.1870 0.2796 0.1366 -0.0038 -0.0185 -0.0165 204 SER A CB 1317 O OG . SER A 175 ? 0.1892 0.2770 0.1411 -0.0087 -0.0198 -0.0173 204 SER A OG 1318 N N . PRO A 176 ? 0.2121 0.3094 0.1529 0.0065 -0.0163 -0.0169 205 PRO A N 1319 C CA . PRO A 176 ? 0.2122 0.3132 0.1494 0.0114 -0.0137 -0.0150 205 PRO A CA 1320 C C . PRO A 176 ? 0.2163 0.3214 0.1535 0.0130 -0.0120 -0.0116 205 PRO A C 1321 O O . PRO A 176 ? 0.2216 0.3292 0.1618 0.0109 -0.0138 -0.0116 205 PRO A O 1322 C CB . PRO A 176 ? 0.2223 0.3254 0.1551 0.0136 -0.0173 -0.0185 205 PRO A CB 1323 C CG . PRO A 176 ? 0.2232 0.3260 0.1581 0.0093 -0.0221 -0.0216 205 PRO A CG 1324 C CD . PRO A 176 ? 0.2198 0.3169 0.1589 0.0051 -0.0212 -0.0211 205 PRO A CD 1325 N N . LEU A 177 ? 0.2146 0.3197 0.1487 0.0165 -0.0079 -0.0084 206 LEU A N 1326 C CA . LEU A 177 ? 0.2175 0.3255 0.1486 0.0203 -0.0058 -0.0051 206 LEU A CA 1327 C C . LEU A 177 ? 0.2335 0.3449 0.1585 0.0252 -0.0064 -0.0059 206 LEU A C 1328 O O . LEU A 177 ? 0.2263 0.3353 0.1484 0.0266 -0.0039 -0.0057 206 LEU A O 1329 C CB . LEU A 177 ? 0.2186 0.3210 0.1483 0.0205 -0.0001 -0.0008 206 LEU A CB 1330 C CG . LEU A 177 ? 0.2195 0.3225 0.1444 0.0252 0.0026 0.0030 206 LEU A CG 1331 C CD1 . LEU A 177 ? 0.2141 0.3203 0.1419 0.0252 0.0009 0.0035 206 LEU A CD1 1332 C CD2 . LEU A 177 ? 0.2218 0.3174 0.1429 0.0254 0.0084 0.0071 206 LEU A CD2 1333 N N . VAL A 178 ? 0.2460 0.3637 0.1693 0.0278 -0.0098 -0.0069 207 VAL A N 1334 C CA . VAL A 178 ? 0.2645 0.3858 0.1811 0.0327 -0.0113 -0.0080 207 VAL A CA 1335 C C . VAL A 178 ? 0.2652 0.3889 0.1765 0.0386 -0.0084 -0.0036 207 VAL A C 1336 O O . VAL A 178 ? 0.2609 0.3885 0.1740 0.0397 -0.0091 -0.0018 207 VAL A O 1337 C CB . VAL A 178 ? 0.2723 0.3996 0.1898 0.0315 -0.0178 -0.0124 207 VAL A CB 1338 C CG1 . VAL A 178 ? 0.2912 0.4207 0.2008 0.0362 -0.0196 -0.0142 207 VAL A CG1 1339 C CG2 . VAL A 178 ? 0.2667 0.3904 0.1890 0.0253 -0.0208 -0.0162 207 VAL A CG2 1340 N N . CYS A 179 ? 0.2720 0.3930 0.1765 0.0425 -0.0049 -0.0017 208 CYS A N 1341 C CA . CYS A 179 ? 0.2752 0.3956 0.1729 0.0482 -0.0013 0.0027 208 CYS A CA 1342 C C . CYS A 179 ? 0.2881 0.4108 0.1777 0.0532 -0.0021 0.0016 208 CYS A C 1343 O O . CYS A 179 ? 0.2670 0.3870 0.1550 0.0523 -0.0008 0.0000 208 CYS A O 1344 C CB . CYS A 179 ? 0.2794 0.3917 0.1760 0.0472 0.0052 0.0071 208 CYS A CB 1345 S SG . CYS A 179 ? 0.2848 0.3918 0.1896 0.0407 0.0069 0.0081 208 CYS A SG 1346 N N . ASN A 180 ? 0.3073 0.4356 0.1917 0.0586 -0.0047 0.0022 209 ASN A N 1347 C CA . ASN A 180 ? 0.3223 0.4531 0.1974 0.0640 -0.0062 0.0010 209 ASN A CA 1348 C C . ASN A 180 ? 0.3247 0.4563 0.2010 0.0610 -0.0102 -0.0049 209 ASN A C 1349 O O . ASN A 180 ? 0.3213 0.4504 0.1910 0.0637 -0.0083 -0.0056 209 ASN A O 1350 C CB . ASN A 180 ? 0.3290 0.4531 0.1959 0.0679 0.0009 0.0056 209 ASN A CB 1351 C CG . ASN A 180 ? 0.3471 0.4671 0.2118 0.0702 0.0055 0.0115 209 ASN A CG 1352 O OD1 . ASN A 180 ? 0.3668 0.4909 0.2300 0.0740 0.0031 0.0128 209 ASN A OD1 1353 N ND2 . ASN A 180 ? 0.3593 0.4710 0.2237 0.0677 0.0120 0.0150 209 ASN A ND2 1354 N N . GLY A 181 ? 0.3057 0.4397 0.1902 0.0553 -0.0150 -0.0088 214 GLY A N 1355 C CA . GLY A 181 ? 0.3074 0.4403 0.1921 0.0523 -0.0192 -0.0146 214 GLY A CA 1356 C C . GLY A 181 ? 0.3048 0.4306 0.1910 0.0498 -0.0156 -0.0154 214 GLY A C 1357 O O . GLY A 181 ? 0.3031 0.4264 0.1877 0.0487 -0.0183 -0.0200 214 GLY A O 1358 N N . LEU A 182 ? 0.2923 0.4148 0.1820 0.0487 -0.0099 -0.0112 215 LEU A N 1359 C CA . LEU A 182 ? 0.2922 0.4102 0.1843 0.0466 -0.0065 -0.0115 215 LEU A CA 1360 C C . LEU A 182 ? 0.2643 0.3796 0.1657 0.0407 -0.0053 -0.0102 215 LEU A C 1361 O O . LEU A 182 ? 0.2518 0.3674 0.1559 0.0396 -0.0044 -0.0072 215 LEU A O 1362 C CB . LEU A 182 ? 0.3144 0.4310 0.2015 0.0503 0.0000 -0.0072 215 LEU A CB 1363 C CG . LEU A 182 ? 0.3400 0.4575 0.2177 0.0561 0.0018 -0.0077 215 LEU A CG 1364 C CD1 . LEU A 182 ? 0.3564 0.4753 0.2277 0.0593 -0.0032 -0.0129 215 LEU A CD1 1365 C CD2 . LEU A 182 ? 0.3488 0.4657 0.2204 0.0599 0.0069 -0.0021 215 LEU A CD2 1366 N N . ILE A 183 ? 0.2473 0.3597 0.1526 0.0377 -0.0051 -0.0123 216 ILE A N 1367 C CA . ILE A 183 ? 0.2382 0.3478 0.1515 0.0322 -0.0046 -0.0116 216 ILE A CA 1368 C C . ILE A 183 ? 0.2415 0.3494 0.1564 0.0314 0.0016 -0.0070 216 ILE A C 1369 O O . ILE A 183 ? 0.2427 0.3506 0.1582 0.0316 0.0045 -0.0068 216 ILE A O 1370 C CB . ILE A 183 ? 0.2281 0.3351 0.1446 0.0294 -0.0077 -0.0158 216 ILE A CB 1371 C CG1 . ILE A 183 ? 0.2359 0.3430 0.1485 0.0301 -0.0134 -0.0205 216 ILE A CG1 1372 C CG2 . ILE A 183 ? 0.2159 0.3200 0.1396 0.0239 -0.0081 -0.0151 216 ILE A CG2 1373 C CD1 . ILE A 183 ? 0.2382 0.3481 0.1522 0.0279 -0.0175 -0.0212 216 ILE A CD1 1374 N N . HIS A 184 ? 0.2281 0.3347 0.1432 0.0308 0.0037 -0.0034 217 HIS A N 1375 C CA . HIS A 184 ? 0.2359 0.3394 0.1514 0.0294 0.0093 0.0006 217 HIS A CA 1376 C C . HIS A 184 ? 0.2234 0.3233 0.1456 0.0236 0.0096 0.0010 217 HIS A C 1377 O O . HIS A 184 ? 0.2206 0.3176 0.1440 0.0211 0.0138 0.0036 217 HIS A O 1378 C CB . HIS A 184 ? 0.2492 0.3507 0.1589 0.0325 0.0125 0.0050 217 HIS A CB 1379 C CG . HIS A 184 ? 0.2816 0.3848 0.1831 0.0380 0.0147 0.0064 217 HIS A CG 1380 N ND1 . HIS A 184 ? 0.2910 0.3914 0.1886 0.0385 0.0208 0.0102 217 HIS A ND1 1381 C CD2 . HIS A 184 ? 0.2800 0.3871 0.1758 0.0433 0.0118 0.0052 217 HIS A CD2 1382 C CE1 . HIS A 184 ? 0.3001 0.4020 0.1896 0.0442 0.0219 0.0113 217 HIS A CE1 1383 N NE2 . HIS A 184 ? 0.3018 0.4079 0.1900 0.0473 0.0162 0.0080 217 HIS A NE2 1384 N N . GLY A 185 ? 0.2122 0.3121 0.1387 0.0212 0.0052 -0.0017 218 GLY A N 1385 C CA . GLY A 185 ? 0.2068 0.3028 0.1386 0.0161 0.0056 -0.0011 218 GLY A CA 1386 C C . GLY A 185 ? 0.1909 0.2871 0.1271 0.0135 0.0009 -0.0051 218 GLY A C 1387 O O . GLY A 185 ? 0.1866 0.2850 0.1217 0.0148 -0.0029 -0.0081 218 GLY A O 1388 N N . ILE A 186 ? 0.1800 0.2729 0.1203 0.0094 0.0015 -0.0048 219 ILE A N 1389 C CA . ILE A 186 ? 0.1762 0.2670 0.1202 0.0063 -0.0021 -0.0076 219 ILE A CA 1390 C C . ILE A 186 ? 0.1748 0.2614 0.1211 0.0025 -0.0009 -0.0055 219 ILE A C 1391 O O . ILE A 186 ? 0.1733 0.2575 0.1201 0.0007 0.0020 -0.0034 219 ILE A O 1392 C CB . ILE A 186 ? 0.1774 0.2686 0.1235 0.0059 -0.0022 -0.0092 219 ILE A CB 1393 C CG1 . ILE A 186 ? 0.1833 0.2780 0.1262 0.0103 -0.0029 -0.0112 219 ILE A CG1 1394 C CG2 . ILE A 186 ? 0.1753 0.2629 0.1241 0.0032 -0.0061 -0.0118 219 ILE A CG2 1395 C CD1 . ILE A 186 ? 0.1914 0.2878 0.1366 0.0109 -0.0023 -0.0123 219 ILE A CD1 1396 N N . ALA A 187 ? 0.1804 0.2661 0.1276 0.0012 -0.0032 -0.0063 220 ALA A N 1397 C CA . ALA A 187 ? 0.1819 0.2639 0.1302 -0.0012 -0.0018 -0.0043 220 ALA A CA 1398 C C . ALA A 187 ? 0.1807 0.2579 0.1309 -0.0049 -0.0014 -0.0043 220 ALA A C 1399 O O . ALA A 187 ? 0.1791 0.2555 0.1314 -0.0064 -0.0042 -0.0068 220 ALA A O 1400 C CB . ALA A 187 ? 0.1889 0.2725 0.1387 -0.0022 -0.0046 -0.0054 220 ALA A CB 1401 N N . SER A 188 ? 0.1759 0.2494 0.1247 -0.0061 0.0020 -0.0016 221 SER A N 1402 C CA . SER A 188 ? 0.1803 0.2502 0.1306 -0.0097 0.0025 -0.0016 221 SER A CA 1403 C C . SER A 188 ? 0.1788 0.2422 0.1280 -0.0126 0.0031 -0.0005 221 SER A C 1404 O O . SER A 188 ? 0.1673 0.2285 0.1181 -0.0151 0.0008 -0.0019 221 SER A O 1405 C CB . SER A 188 ? 0.1821 0.2527 0.1315 -0.0101 0.0059 0.0001 221 SER A CB 1406 O OG . SER A 188 ? 0.1790 0.2486 0.1313 -0.0140 0.0053 -0.0004 221 SER A OG 1407 N N . PHE A 189 ? 0.1801 0.2396 0.1254 -0.0118 0.0063 0.0020 222 PHE A N 1408 C CA . PHE A 189 ? 0.1879 0.2402 0.1308 -0.0140 0.0073 0.0029 222 PHE A CA 1409 C C . PHE A 189 ? 0.1994 0.2491 0.1380 -0.0109 0.0101 0.0053 222 PHE A C 1410 O O . PHE A 189 ? 0.2083 0.2600 0.1444 -0.0072 0.0123 0.0070 222 PHE A O 1411 C CB . PHE A 189 ? 0.1877 0.2341 0.1291 -0.0182 0.0085 0.0033 222 PHE A CB 1412 C CG . PHE A 189 ? 0.1885 0.2324 0.1267 -0.0184 0.0122 0.0054 222 PHE A CG 1413 C CD1 . PHE A 189 ? 0.1907 0.2402 0.1319 -0.0193 0.0123 0.0051 222 PHE A CD1 1414 C CD2 . PHE A 189 ? 0.1981 0.2330 0.1295 -0.0183 0.0157 0.0078 222 PHE A CD2 1415 C CE1 . PHE A 189 ? 0.2001 0.2470 0.1379 -0.0202 0.0163 0.0074 222 PHE A CE1 1416 C CE2 . PHE A 189 ? 0.2035 0.2342 0.1305 -0.0189 0.0194 0.0100 222 PHE A CE2 1417 C CZ . PHE A 189 ? 0.2075 0.2441 0.1379 -0.0204 0.0198 0.0099 222 PHE A CZ 1418 N N . VAL A 190 ? 0.1949 0.2396 0.1317 -0.0117 0.0106 0.0057 223 VAL A N 1419 C CA . VAL A 190 ? 0.2093 0.2504 0.1411 -0.0082 0.0138 0.0082 223 VAL A CA 1420 C C . VAL A 190 ? 0.2187 0.2478 0.1440 -0.0103 0.0167 0.0094 223 VAL A C 1421 O O . VAL A 190 ? 0.2078 0.2327 0.1333 -0.0147 0.0154 0.0081 223 VAL A O 1422 C CB . VAL A 190 ? 0.2043 0.2504 0.1384 -0.0060 0.0129 0.0081 223 VAL A CB 1423 C CG1 . VAL A 190 ? 0.2060 0.2631 0.1453 -0.0043 0.0101 0.0068 223 VAL A CG1 1424 C CG2 . VAL A 190 ? 0.2016 0.2450 0.1374 -0.0099 0.0112 0.0066 223 VAL A CG2 1425 N N . ARG A 191 ? 0.2440 0.2678 0.1629 -0.0065 0.0203 0.0120 224 ARG A N 1426 C CA . ARG A 191 ? 0.2792 0.2894 0.1897 -0.0078 0.0235 0.0132 224 ARG A CA 1427 C C . ARG A 191 ? 0.2763 0.2840 0.1824 -0.0027 0.0258 0.0148 224 ARG A C 1428 O O . ARG A 191 ? 0.2597 0.2749 0.1674 0.0026 0.0263 0.0161 224 ARG A O 1429 C CB . ARG A 191 ? 0.3108 0.3146 0.2153 -0.0075 0.0266 0.0152 224 ARG A CB 1430 C CG . ARG A 191 ? 0.3578 0.3455 0.2523 -0.0098 0.0298 0.0162 224 ARG A CG 1431 C CD . ARG A 191 ? 0.3832 0.3630 0.2705 -0.0093 0.0337 0.0188 224 ARG A CD 1432 N NE . ARG A 191 ? 0.4446 0.4069 0.3204 -0.0108 0.0369 0.0197 224 ARG A NE 1433 C CZ . ARG A 191 ? 0.4711 0.4208 0.3371 -0.0112 0.0409 0.0220 224 ARG A CZ 1434 N NH1 . ARG A 191 ? 0.4378 0.3905 0.3039 -0.0099 0.0426 0.0240 224 ARG A NH1 1435 N NH2 . ARG A 191 ? 0.5110 0.4440 0.3665 -0.0136 0.0432 0.0221 224 ARG A NH2 1436 N N . GLY A 192 ? 0.2662 0.2649 0.1675 -0.0042 0.0268 0.0145 225 GLY A N 1437 C CA . GLY A 192 ? 0.2783 0.2761 0.1765 0.0004 0.0289 0.0156 225 GLY A CA 1438 C C . GLY A 192 ? 0.2750 0.2865 0.1825 0.0009 0.0263 0.0146 225 GLY A C 1439 O O . GLY A 192 ? 0.2874 0.3037 0.1951 0.0057 0.0280 0.0161 225 GLY A O 1440 N N . GLY A 193 ? 0.2618 0.2794 0.1766 -0.0040 0.0222 0.0123 226 GLY A N 1441 C CA . GLY A 193 ? 0.2532 0.2816 0.1761 -0.0051 0.0192 0.0110 226 GLY A CA 1442 C C . GLY A 193 ? 0.2476 0.2880 0.1755 -0.0013 0.0185 0.0116 226 GLY A C 1443 O O . GLY A 193 ? 0.2389 0.2787 0.1640 0.0019 0.0200 0.0129 226 GLY A O 1444 N N . CYS A 194 ? 0.2354 0.2861 0.1701 -0.0020 0.0162 0.0106 227 CYS A N 1445 C CA . CYS A 194 ? 0.2299 0.2930 0.1700 0.0004 0.0144 0.0105 227 CYS A CA 1446 C C . CYS A 194 ? 0.2434 0.3113 0.1814 0.0073 0.0175 0.0133 227 CYS A C 1447 O O . CYS A 194 ? 0.2358 0.3023 0.1719 0.0093 0.0203 0.0148 227 CYS A O 1448 C CB . CYS A 194 ? 0.2257 0.2974 0.1730 -0.0031 0.0111 0.0086 227 CYS A CB 1449 S SG . CYS A 194 ? 0.2175 0.2836 0.1665 -0.0100 0.0074 0.0055 227 CYS A SG 1450 N N . ALA A 195 ? 0.2488 0.3207 0.1859 0.0115 0.0175 0.0142 228 ALA A N 1451 C CA . ALA A 195 ? 0.2611 0.3400 0.1970 0.0188 0.0195 0.0168 228 ALA A CA 1452 C C . ALA A 195 ? 0.2835 0.3524 0.2111 0.0233 0.0244 0.0195 228 ALA A C 1453 O O . ALA A 195 ? 0.2873 0.3621 0.2154 0.0282 0.0264 0.0213 228 ALA A O 1454 C CB . ALA A 195 ? 0.2724 0.3669 0.2170 0.0183 0.0171 0.0160 228 ALA A CB 1455 N N . SER A 196 ? 0.3064 0.3601 0.2261 0.0220 0.0265 0.0199 230 SER A N 1456 C CA . SER A 196 ? 0.3313 0.3719 0.2410 0.0257 0.0313 0.0221 230 SER A CA 1457 C C . SER A 196 ? 0.3714 0.4141 0.2762 0.0349 0.0341 0.0252 230 SER A C 1458 O O . SER A 196 ? 0.3853 0.4232 0.2842 0.0401 0.0377 0.0272 230 SER A O 1459 C CB . SER A 196 ? 0.3256 0.3498 0.2274 0.0218 0.0326 0.0218 230 SER A CB 1460 O OG . SER A 196 ? 0.3227 0.3461 0.2228 0.0225 0.0325 0.0225 230 SER A OG 1461 N N . GLY A 197 ? 0.4044 0.4528 0.3100 0.0376 0.0328 0.0259 231 GLY A N 1462 C CA . GLY A 197 ? 0.4441 0.4933 0.3436 0.0471 0.0355 0.0291 231 GLY A CA 1463 C C . GLY A 197 ? 0.4839 0.5132 0.3700 0.0488 0.0397 0.0312 231 GLY A C 1464 O O . GLY A 197 ? 0.5889 0.6141 0.4669 0.0570 0.0429 0.0342 231 GLY A O 1465 N N . LEU A 198 ? 0.4869 0.5048 0.3708 0.0410 0.0396 0.0296 232 LEU A N 1466 C CA . LEU A 198 ? 0.4961 0.4939 0.3675 0.0401 0.0434 0.0310 232 LEU A CA 1467 C C . LEU A 198 ? 0.4703 0.4651 0.3431 0.0332 0.0420 0.0299 232 LEU A C 1468 O O . LEU A 198 ? 0.4994 0.4842 0.3636 0.0346 0.0448 0.0320 232 LEU A O 1469 C CB . LEU A 198 ? 0.5558 0.5420 0.4233 0.0360 0.0448 0.0297 232 LEU A CB 1470 C CG . LEU A 198 ? 0.6077 0.5923 0.4706 0.0432 0.0477 0.0312 232 LEU A CG 1471 C CD1 . LEU A 198 ? 0.6052 0.5786 0.4644 0.0380 0.0485 0.0293 232 LEU A CD1 1472 C CD2 . LEU A 198 ? 0.6270 0.6001 0.4767 0.0522 0.0523 0.0348 232 LEU A CD2 1473 N N . TYR A 199 ? 0.4032 0.4075 0.2866 0.0262 0.0378 0.0267 233 TYR A N 1474 C CA . TYR A 199 ? 0.3733 0.3761 0.2588 0.0197 0.0366 0.0254 233 TYR A CA 1475 C C . TYR A 199 ? 0.3474 0.3663 0.2424 0.0200 0.0327 0.0240 233 TYR A C 1476 O O . TYR A 199 ? 0.3220 0.3532 0.2254 0.0203 0.0293 0.0221 233 TYR A O 1477 C CB . TYR A 199 ? 0.3819 0.3797 0.2701 0.0113 0.0350 0.0227 233 TYR A CB 1478 C CG . TYR A 199 ? 0.3983 0.3805 0.2769 0.0108 0.0382 0.0236 233 TYR A CG 1479 C CD1 . TYR A 199 ? 0.4360 0.4031 0.3033 0.0112 0.0422 0.0258 233 TYR A CD1 1480 C CD2 . TYR A 199 ? 0.4204 0.4014 0.2996 0.0104 0.0375 0.0223 233 TYR A CD2 1481 C CE1 . TYR A 199 ? 0.4917 0.4420 0.3480 0.0109 0.0453 0.0264 233 TYR A CE1 1482 C CE2 . TYR A 199 ? 0.4271 0.3923 0.2958 0.0102 0.0405 0.0228 233 TYR A CE2 1483 C CZ . TYR A 199 ? 0.4659 0.4158 0.3233 0.0105 0.0442 0.0247 233 TYR A CZ 1484 O OH . TYR A 199 ? 0.5379 0.4716 0.3840 0.0109 0.0471 0.0251 233 TYR A OH 1485 N N . PRO A 200 ? 0.3113 0.3299 0.2048 0.0193 0.0333 0.0247 234 PRO A N 1486 C CA . PRO A 200 ? 0.3055 0.3381 0.2067 0.0197 0.0297 0.0229 234 PRO A CA 1487 C C . PRO A 200 ? 0.2728 0.3110 0.1830 0.0131 0.0258 0.0193 234 PRO A C 1488 O O . PRO A 200 ? 0.2687 0.2999 0.1789 0.0076 0.0261 0.0183 234 PRO A O 1489 C CB . PRO A 200 ? 0.3183 0.3474 0.2144 0.0203 0.0320 0.0248 234 PRO A CB 1490 C CG . PRO A 200 ? 0.3245 0.3385 0.2139 0.0157 0.0358 0.0261 234 PRO A CG 1491 C CD . PRO A 200 ? 0.3312 0.3373 0.2160 0.0179 0.0373 0.0270 234 PRO A CD 1492 N N . ASP A 201 ? 0.2542 0.3047 0.1712 0.0139 0.0220 0.0172 235 ASP A N 1493 C CA . ASP A 201 ? 0.2317 0.2875 0.1563 0.0085 0.0181 0.0137 235 ASP A CA 1494 C C . ASP A 201 ? 0.2188 0.2744 0.1431 0.0066 0.0186 0.0133 235 ASP A C 1495 O O . ASP A 201 ? 0.2117 0.2683 0.1320 0.0104 0.0205 0.0151 235 ASP A O 1496 C CB . ASP A 201 ? 0.2233 0.2909 0.1538 0.0103 0.0140 0.0116 235 ASP A CB 1497 C CG . ASP A 201 ? 0.2261 0.2976 0.1592 0.0114 0.0132 0.0116 235 ASP A CG 1498 O OD1 . ASP A 201 ? 0.2086 0.2731 0.1395 0.0103 0.0153 0.0127 235 ASP A OD1 1499 O OD2 . ASP A 201 ? 0.2296 0.3117 0.1669 0.0131 0.0101 0.0104 235 ASP A OD2 1500 N N . ALA A 202 ? 0.2044 0.2605 0.1334 0.0015 0.0167 0.0109 236 ALA A N 1501 C CA . ALA A 202 ? 0.2055 0.2623 0.1351 -0.0005 0.0175 0.0107 236 ALA A CA 1502 C C . ALA A 202 ? 0.1962 0.2613 0.1318 -0.0010 0.0136 0.0075 236 ALA A C 1503 O O . ALA A 202 ? 0.1897 0.2566 0.1296 -0.0030 0.0102 0.0050 236 ALA A O 1504 C CB . ALA A 202 ? 0.2131 0.2625 0.1422 -0.0060 0.0193 0.0111 236 ALA A CB 1505 N N . PHE A 203 ? 0.2005 0.2700 0.1353 0.0011 0.0144 0.0076 237 PHE A N 1506 C CA . PHE A 203 ? 0.1961 0.2728 0.1344 0.0021 0.0111 0.0046 237 PHE A CA 1507 C C . PHE A 203 ? 0.2006 0.2788 0.1401 0.0005 0.0131 0.0048 237 PHE A C 1508 O O . PHE A 203 ? 0.1983 0.2742 0.1345 0.0004 0.0173 0.0076 237 PHE A O 1509 C CB . PHE A 203 ? 0.1960 0.2775 0.1312 0.0074 0.0105 0.0047 237 PHE A CB 1510 C CG . PHE A 203 ? 0.1959 0.2794 0.1314 0.0092 0.0078 0.0041 237 PHE A CG 1511 C CD1 . PHE A 203 ? 0.2026 0.2831 0.1348 0.0111 0.0102 0.0070 237 PHE A CD1 1512 C CD2 . PHE A 203 ? 0.1884 0.2769 0.1272 0.0089 0.0033 0.0007 237 PHE A CD2 1513 C CE1 . PHE A 203 ? 0.2065 0.2909 0.1402 0.0128 0.0080 0.0066 237 PHE A CE1 1514 C CE2 . PHE A 203 ? 0.1834 0.2750 0.1237 0.0093 0.0009 0.0002 237 PHE A CE2 1515 C CZ . PHE A 203 ? 0.1903 0.2810 0.1287 0.0114 0.0033 0.0032 237 PHE A CZ 1516 N N . ALA A 204 ? 0.2043 0.2866 0.1484 -0.0004 0.0103 0.0019 238 ALA A N 1517 C CA . ALA A 204 ? 0.2071 0.2939 0.1530 -0.0006 0.0121 0.0018 238 ALA A CA 1518 C C . ALA A 204 ? 0.2180 0.3085 0.1595 0.0041 0.0143 0.0029 238 ALA A C 1519 O O . ALA A 204 ? 0.2214 0.3138 0.1602 0.0082 0.0118 0.0013 238 ALA A O 1520 C CB . ALA A 204 ? 0.1979 0.2888 0.1486 -0.0008 0.0083 -0.0016 238 ALA A CB 1521 N N . PRO A 205 ? 0.2233 0.3147 0.1635 0.0033 0.0189 0.0055 239 PRO A N 1522 C CA . PRO A 205 ? 0.2323 0.3254 0.1666 0.0078 0.0219 0.0074 239 PRO A CA 1523 C C . PRO A 205 ? 0.2333 0.3339 0.1687 0.0112 0.0211 0.0051 239 PRO A C 1524 O O . PRO A 205 ? 0.2337 0.3392 0.1718 0.0100 0.0242 0.0059 239 PRO A O 1525 C CB . PRO A 205 ? 0.2440 0.3335 0.1762 0.0044 0.0277 0.0115 239 PRO A CB 1526 C CG . PRO A 205 ? 0.2465 0.3379 0.1858 -0.0014 0.0274 0.0106 239 PRO A CG 1527 C CD . PRO A 205 ? 0.2349 0.3244 0.1777 -0.0022 0.0219 0.0075 239 PRO A CD 1528 N N . VAL A 206 ? 0.2264 0.3283 0.1596 0.0153 0.0172 0.0023 240 VAL A N 1529 C CA . VAL A 206 ? 0.2268 0.3340 0.1598 0.0191 0.0155 -0.0007 240 VAL A CA 1530 C C . VAL A 206 ? 0.2328 0.3443 0.1625 0.0220 0.0206 0.0014 240 VAL A C 1531 O O . VAL A 206 ? 0.2289 0.3458 0.1609 0.0234 0.0211 0.0000 240 VAL A O 1532 C CB . VAL A 206 ? 0.2302 0.3368 0.1593 0.0228 0.0109 -0.0039 240 VAL A CB 1533 C CG1 . VAL A 206 ? 0.2361 0.3463 0.1619 0.0276 0.0096 -0.0071 240 VAL A CG1 1534 C CG2 . VAL A 206 ? 0.2247 0.3281 0.1576 0.0196 0.0060 -0.0064 240 VAL A CG2 1535 N N . ALA A 207 ? 0.2440 0.3531 0.1678 0.0232 0.0243 0.0050 241 ALA A N 1536 C CA . ALA A 207 ? 0.2598 0.3722 0.1791 0.0261 0.0295 0.0075 241 ALA A CA 1537 C C . ALA A 207 ? 0.2671 0.3835 0.1922 0.0215 0.0343 0.0098 241 ALA A C 1538 O O . ALA A 207 ? 0.2730 0.3956 0.1976 0.0236 0.0378 0.0104 241 ALA A O 1539 C CB . ALA A 207 ? 0.2609 0.3684 0.1716 0.0286 0.0324 0.0113 241 ALA A CB 1540 N N . GLN A 208 ? 0.2767 0.3905 0.2077 0.0151 0.0341 0.0105 242 GLN A N 1541 C CA . GLN A 208 ? 0.2725 0.3919 0.2104 0.0101 0.0373 0.0117 242 GLN A CA 1542 C C . GLN A 208 ? 0.2742 0.4027 0.2187 0.0121 0.0346 0.0081 242 GLN A C 1543 O O . GLN A 208 ? 0.2767 0.4132 0.2271 0.0096 0.0375 0.0091 242 GLN A O 1544 C CB . GLN A 208 ? 0.2891 0.4026 0.2305 0.0028 0.0372 0.0131 242 GLN A CB 1545 C CG . GLN A 208 ? 0.3169 0.4206 0.2501 0.0015 0.0413 0.0174 242 GLN A CG 1546 C CD . GLN A 208 ? 0.3355 0.4310 0.2697 -0.0049 0.0414 0.0186 242 GLN A CD 1547 O OE1 . GLN A 208 ? 0.3953 0.4806 0.3229 -0.0043 0.0418 0.0203 242 GLN A OE1 1548 N NE2 . GLN A 208 ? 0.3303 0.4301 0.2723 -0.0106 0.0406 0.0175 242 GLN A NE2 1549 N N . PHE A 209 ? 0.2445 0.3721 0.1878 0.0166 0.0292 0.0041 243 PHE A N 1550 C CA . PHE A 209 ? 0.2406 0.3744 0.1891 0.0187 0.0264 0.0006 243 PHE A CA 1551 C C . PHE A 209 ? 0.2293 0.3661 0.1729 0.0263 0.0255 -0.0021 243 PHE A C 1552 O O . PHE A 209 ? 0.2193 0.3586 0.1652 0.0292 0.0224 -0.0054 243 PHE A O 1553 C CB . PHE A 209 ? 0.2368 0.3652 0.1883 0.0164 0.0204 -0.0021 243 PHE A CB 1554 C CG . PHE A 209 ? 0.2443 0.3691 0.1998 0.0093 0.0209 0.0000 243 PHE A CG 1555 C CD1 . PHE A 209 ? 0.2532 0.3842 0.2154 0.0047 0.0236 0.0017 243 PHE A CD1 1556 C CD2 . PHE A 209 ? 0.2473 0.3633 0.2004 0.0071 0.0185 0.0000 243 PHE A CD2 1557 C CE1 . PHE A 209 ? 0.2650 0.3918 0.2300 -0.0019 0.0236 0.0032 243 PHE A CE1 1558 C CE2 . PHE A 209 ? 0.2473 0.3588 0.2025 0.0011 0.0192 0.0019 243 PHE A CE2 1559 C CZ . PHE A 209 ? 0.2613 0.3776 0.2222 -0.0035 0.0216 0.0034 243 PHE A CZ 1560 N N . VAL A 210 ? 0.2288 0.3642 0.1647 0.0299 0.0280 -0.0007 244 VAL A N 1561 C CA . VAL A 210 ? 0.2367 0.3728 0.1657 0.0372 0.0266 -0.0037 244 VAL A CA 1562 C C . VAL A 210 ? 0.2401 0.3853 0.1717 0.0408 0.0295 -0.0043 244 VAL A C 1563 O O . VAL A 210 ? 0.2381 0.3834 0.1675 0.0459 0.0266 -0.0082 244 VAL A O 1564 C CB . VAL A 210 ? 0.2476 0.3804 0.1669 0.0402 0.0288 -0.0016 244 VAL A CB 1565 C CG1 . VAL A 210 ? 0.2491 0.3837 0.1599 0.0480 0.0288 -0.0040 244 VAL A CG1 1566 C CG2 . VAL A 210 ? 0.2490 0.3739 0.1657 0.0385 0.0241 -0.0024 244 VAL A CG2 1567 N N . ASN A 211 ? 0.2575 0.4104 0.1938 0.0383 0.0355 -0.0005 245 ASN A N 1568 C CA . ASN A 211 ? 0.2700 0.4340 0.2110 0.0415 0.0383 -0.0009 245 ASN A CA 1569 C C . ASN A 211 ? 0.2633 0.4290 0.2102 0.0426 0.0334 -0.0047 245 ASN A C 1570 O O . ASN A 211 ? 0.2758 0.4445 0.2204 0.0496 0.0324 -0.0078 245 ASN A O 1571 C CB . ASN A 211 ? 0.2865 0.4597 0.2338 0.0366 0.0451 0.0038 245 ASN A CB 1572 C CG . ASN A 211 ? 0.3096 0.4816 0.2491 0.0376 0.0512 0.0076 245 ASN A CG 1573 O OD1 . ASN A 211 ? 0.3097 0.4789 0.2396 0.0445 0.0513 0.0064 245 ASN A OD1 1574 N ND2 . ASN A 211 ? 0.3232 0.4972 0.2662 0.0306 0.0563 0.0123 245 ASN A ND2 1575 N N . TRP A 212 ? 0.2449 0.4072 0.1978 0.0364 0.0300 -0.0048 246 TRP A N 1576 C CA . TRP A 212 ? 0.2346 0.3972 0.1924 0.0372 0.0251 -0.0080 246 TRP A CA 1577 C C . TRP A 212 ? 0.2378 0.3906 0.1877 0.0424 0.0197 -0.0125 246 TRP A C 1578 O O . TRP A 212 ? 0.2381 0.3916 0.1867 0.0482 0.0175 -0.0157 246 TRP A O 1579 C CB . TRP A 212 ? 0.2313 0.3923 0.1966 0.0288 0.0233 -0.0065 246 TRP A CB 1580 C CG . TRP A 212 ? 0.2387 0.3975 0.2073 0.0295 0.0176 -0.0097 246 TRP A CG 1581 C CD1 . TRP A 212 ? 0.2355 0.4032 0.2107 0.0312 0.0169 -0.0104 246 TRP A CD1 1582 C CD2 . TRP A 212 ? 0.2379 0.3847 0.2030 0.0281 0.0122 -0.0120 246 TRP A CD2 1583 N NE1 . TRP A 212 ? 0.2520 0.4128 0.2268 0.0320 0.0113 -0.0133 246 TRP A NE1 1584 C CE2 . TRP A 212 ? 0.2424 0.3901 0.2112 0.0294 0.0085 -0.0141 246 TRP A CE2 1585 C CE3 . TRP A 212 ? 0.2455 0.3817 0.2046 0.0262 0.0103 -0.0124 246 TRP A CE3 1586 C CZ2 . TRP A 212 ? 0.2351 0.3723 0.2010 0.0286 0.0034 -0.0165 246 TRP A CZ2 1587 C CZ3 . TRP A 212 ? 0.2381 0.3654 0.1955 0.0251 0.0051 -0.0148 246 TRP A CZ3 1588 C CH2 . TRP A 212 ? 0.2394 0.3667 0.1997 0.0263 0.0019 -0.0169 246 TRP A CH2 1589 N N . ILE A 213 ? 0.2411 0.3847 0.1844 0.0411 0.0179 -0.0128 247 ILE A N 1590 C CA . ILE A 213 ? 0.2503 0.3843 0.1861 0.0447 0.0125 -0.0172 247 ILE A CA 1591 C C . ILE A 213 ? 0.2725 0.4085 0.2012 0.0528 0.0137 -0.0196 247 ILE A C 1592 O O . ILE A 213 ? 0.2725 0.4043 0.1974 0.0575 0.0103 -0.0236 247 ILE A O 1593 C CB . ILE A 213 ? 0.2417 0.3681 0.1726 0.0417 0.0105 -0.0169 247 ILE A CB 1594 C CG1 . ILE A 213 ? 0.2381 0.3612 0.1749 0.0345 0.0089 -0.0151 247 ILE A CG1 1595 C CG2 . ILE A 213 ? 0.2536 0.3718 0.1767 0.0446 0.0052 -0.0214 247 ILE A CG2 1596 C CD1 . ILE A 213 ? 0.2369 0.3558 0.1702 0.0321 0.0089 -0.0133 247 ILE A CD1 1597 N N . ASP A 214 ? 0.2934 0.4348 0.2190 0.0551 0.0188 -0.0171 248 ASP A N 1598 C CA . ASP A 214 ? 0.2938 0.4376 0.2115 0.0637 0.0208 -0.0192 248 ASP A CA 1599 C C . ASP A 214 ? 0.2918 0.4431 0.2143 0.0681 0.0222 -0.0202 248 ASP A C 1600 O O . ASP A 214 ? 0.2849 0.4337 0.2000 0.0760 0.0211 -0.0239 248 ASP A O 1601 C CB . ASP A 214 ? 0.3066 0.4565 0.2207 0.0655 0.0273 -0.0155 248 ASP A CB 1602 C CG . ASP A 214 ? 0.3122 0.4550 0.2186 0.0642 0.0262 -0.0146 248 ASP A CG 1603 O OD1 . ASP A 214 ? 0.3041 0.4383 0.2068 0.0631 0.0203 -0.0177 248 ASP A OD1 1604 O OD2 . ASP A 214 ? 0.3337 0.4804 0.2386 0.0637 0.0316 -0.0105 248 ASP A OD2 1605 N N . SER A 215 ? 0.2783 0.4389 0.2123 0.0636 0.0246 -0.0171 249 SER A N 1606 C CA . SER A 215 ? 0.2897 0.4595 0.2289 0.0684 0.0257 -0.0180 249 SER A CA 1607 C C . SER A 215 ? 0.3167 0.4776 0.2524 0.0724 0.0196 -0.0227 249 SER A C 1608 O O . SER A 215 ? 0.3233 0.4899 0.2602 0.0790 0.0201 -0.0241 249 SER A O 1609 C CB . SER A 215 ? 0.2870 0.4684 0.2399 0.0621 0.0278 -0.0145 249 SER A CB 1610 O OG . SER A 215 ? 0.2749 0.4507 0.2327 0.0569 0.0225 -0.0155 249 SER A OG 1611 N N . ILE A 216 ? 0.3147 0.4627 0.2472 0.0680 0.0141 -0.0246 250 ILE A N 1612 C CA . ILE A 216 ? 0.3302 0.4669 0.2580 0.0703 0.0082 -0.0288 250 ILE A CA 1613 C C . ILE A 216 ? 0.3608 0.4855 0.2752 0.0745 0.0056 -0.0328 250 ILE A C 1614 O O . ILE A 216 ? 0.3787 0.4970 0.2862 0.0805 0.0034 -0.0364 250 ILE A O 1615 C CB . ILE A 216 ? 0.3079 0.4377 0.2403 0.0618 0.0041 -0.0282 250 ILE A CB 1616 C CG1 . ILE A 216 ? 0.3049 0.4453 0.2495 0.0578 0.0058 -0.0249 250 ILE A CG1 1617 C CG2 . ILE A 216 ? 0.3260 0.4418 0.2517 0.0632 -0.0018 -0.0324 250 ILE A CG2 1618 C CD1 . ILE A 216 ? 0.2883 0.4236 0.2374 0.0490 0.0032 -0.0234 250 ILE A CD1 1619 N N . ILE A 217 ? 0.3945 0.5148 0.3047 0.0707 0.0050 -0.0324 251 ILE A N 1620 C CA . ILE A 217 ? 0.4490 0.5576 0.3467 0.0735 0.0012 -0.0367 251 ILE A CA 1621 C C . ILE A 217 ? 0.5376 0.6488 0.4263 0.0815 0.0045 -0.0379 251 ILE A C 1622 O O . ILE A 217 ? 0.5529 0.6539 0.4299 0.0848 0.0011 -0.0422 251 ILE A O 1623 C CB . ILE A 217 ? 0.4367 0.5393 0.3327 0.0668 -0.0020 -0.0366 251 ILE A CB 1624 C CG1 . ILE A 217 ? 0.4270 0.5377 0.3253 0.0649 0.0022 -0.0324 251 ILE A CG1 1625 C CG2 . ILE A 217 ? 0.4663 0.5654 0.3700 0.0594 -0.0052 -0.0358 251 ILE A CG2 1626 C CD1 . ILE A 217 ? 0.4233 0.5293 0.3185 0.0603 -0.0007 -0.0323 251 ILE A CD1 1627 N N . GLN A 218 ? 0.5858 0.7102 0.4797 0.0837 0.0110 -0.0340 252 GLN A N 1628 C CA . GLN A 218 ? 0.6423 0.7724 0.5295 0.0905 0.0160 -0.0334 252 GLN A CA 1629 C C . GLN A 218 ? 0.6777 0.8074 0.5613 0.0872 0.0172 -0.0311 252 GLN A C 1630 O O . GLN A 218 ? 0.7348 0.8735 0.6192 0.0888 0.0233 -0.0275 252 GLN A O 1631 C CB . GLN A 218 ? 0.6784 0.8004 0.5526 0.0993 0.0142 -0.0386 252 GLN A CB 1632 C CG . GLN A 218 ? 0.7455 0.8631 0.6198 0.1035 0.0116 -0.0417 252 GLN A CG 1633 C CD . GLN A 218 ? 0.8685 0.9684 0.7278 0.1070 0.0057 -0.0480 252 GLN A CD 1634 O OE1 . GLN A 218 ? 0.9524 1.0467 0.7999 0.1097 0.0051 -0.0504 252 GLN A OE1 1635 N NE2 . GLN A 218 ? 0.9201 1.0105 0.7791 0.1064 0.0012 -0.0507 252 GLN A NE2 1636 O OXT . GLN A 218 ? 0.6773 0.7986 0.5572 0.0831 0.0125 -0.0326 252 GLN A OXT 1637 N N . ILE B 1 ? 0.2799 0.2437 0.1696 -0.0572 -0.0089 -0.0081 16 ILE B N 1638 C CA . ILE B 1 ? 0.2863 0.2349 0.1636 -0.0570 -0.0059 -0.0079 16 ILE B CA 1639 C C . ILE B 1 ? 0.2981 0.2405 0.1719 -0.0594 -0.0023 -0.0073 16 ILE B C 1640 O O . ILE B 1 ? 0.3161 0.2608 0.1923 -0.0651 -0.0043 -0.0084 16 ILE B O 1641 C CB . ILE B 1 ? 0.2960 0.2378 0.1658 -0.0608 -0.0099 -0.0103 16 ILE B CB 1642 C CG1 . ILE B 1 ? 0.2916 0.2385 0.1637 -0.0581 -0.0136 -0.0106 16 ILE B CG1 1643 C CG2 . ILE B 1 ? 0.3148 0.2397 0.1704 -0.0609 -0.0068 -0.0105 16 ILE B CG2 1644 C CD1 . ILE B 1 ? 0.2895 0.2313 0.1569 -0.0529 -0.0103 -0.0090 16 ILE B CD1 1645 N N . VAL B 2 ? 0.2926 0.2270 0.1604 -0.0554 0.0029 -0.0054 17 VAL B N 1646 C CA . VAL B 2 ? 0.3087 0.2342 0.1706 -0.0567 0.0068 -0.0044 17 VAL B CA 1647 C C . VAL B 2 ? 0.3312 0.2383 0.1778 -0.0580 0.0081 -0.0055 17 VAL B C 1648 O O . VAL B 2 ? 0.3397 0.2413 0.1801 -0.0537 0.0093 -0.0054 17 VAL B O 1649 C CB . VAL B 2 ? 0.2997 0.2274 0.1633 -0.0502 0.0115 -0.0016 17 VAL B CB 1650 C CG1 . VAL B 2 ? 0.3112 0.2275 0.1666 -0.0502 0.0162 -0.0001 17 VAL B CG1 1651 C CG2 . VAL B 2 ? 0.2837 0.2290 0.1614 -0.0482 0.0099 -0.0009 17 VAL B CG2 1652 N N . GLY B 3 ? 0.3404 0.2387 0.1811 -0.0644 0.0077 -0.0068 18 GLY B N 1653 C CA . GLY B 3 ? 0.3525 0.2308 0.1769 -0.0660 0.0096 -0.0079 18 GLY B CA 1654 C C . GLY B 3 ? 0.3591 0.2329 0.1776 -0.0687 0.0052 -0.0108 18 GLY B C 1655 O O . GLY B 3 ? 0.3714 0.2285 0.1752 -0.0676 0.0070 -0.0117 18 GLY B O 1656 N N . GLY B 4 ? 0.3497 0.2376 0.1787 -0.0718 -0.0003 -0.0121 19 GLY B N 1657 C CA . GLY B 4 ? 0.3590 0.2457 0.1841 -0.0743 -0.0055 -0.0148 19 GLY B CA 1658 C C . GLY B 4 ? 0.3702 0.2548 0.1935 -0.0839 -0.0101 -0.0178 19 GLY B C 1659 O O . GLY B 4 ? 0.3842 0.2610 0.2034 -0.0884 -0.0078 -0.0178 19 GLY B O 1660 N N . ARG B 5 ? 0.3677 0.2598 0.1940 -0.0869 -0.0165 -0.0201 20 ARG B N 1661 C CA . ARG B 5 ? 0.3790 0.2727 0.2054 -0.0963 -0.0218 -0.0231 20 ARG B CA 1662 C C . ARG B 5 ? 0.3718 0.2832 0.2092 -0.0959 -0.0281 -0.0239 20 ARG B C 1663 O O . ARG B 5 ? 0.3629 0.2792 0.2032 -0.0888 -0.0281 -0.0226 20 ARG B O 1664 C CB . ARG B 5 ? 0.3916 0.2665 0.2007 -0.0996 -0.0231 -0.0258 20 ARG B CB 1665 C CG . ARG B 5 ? 0.3949 0.2667 0.1973 -0.0938 -0.0252 -0.0264 20 ARG B CG 1666 C CD . ARG B 5 ? 0.4168 0.2701 0.2010 -0.0969 -0.0271 -0.0296 20 ARG B CD 1667 N NE . ARG B 5 ? 0.4227 0.2720 0.1999 -0.0896 -0.0269 -0.0290 20 ARG B NE 1668 C CZ . ARG B 5 ? 0.4351 0.2736 0.2039 -0.0823 -0.0205 -0.0269 20 ARG B CZ 1669 N NH1 . ARG B 5 ? 0.4287 0.2582 0.1940 -0.0807 -0.0142 -0.0253 20 ARG B NH1 1670 N NH2 . ARG B 5 ? 0.4382 0.2755 0.2023 -0.0762 -0.0204 -0.0262 20 ARG B NH2 1671 N N . ARG B 6 ? 0.3780 0.2982 0.2207 -0.1031 -0.0335 -0.0261 21 ARG B N 1672 C CA . ARG B 6 ? 0.3825 0.3187 0.2340 -0.1024 -0.0401 -0.0272 21 ARG B CA 1673 C C . ARG B 6 ? 0.3900 0.3181 0.2306 -0.0998 -0.0438 -0.0289 21 ARG B C 1674 O O . ARG B 6 ? 0.4000 0.3136 0.2272 -0.1040 -0.0448 -0.0312 21 ARG B O 1675 C CB . ARG B 6 ? 0.4093 0.3560 0.2673 -0.1116 -0.0452 -0.0296 21 ARG B CB 1676 C CG . ARG B 6 ? 0.4374 0.3939 0.3068 -0.1153 -0.0419 -0.0280 21 ARG B CG 1677 C CD . ARG B 6 ? 0.4899 0.4593 0.3666 -0.1248 -0.0476 -0.0304 21 ARG B CD 1678 N NE . ARG B 6 ? 0.5317 0.5170 0.4231 -0.1273 -0.0453 -0.0287 21 ARG B NE 1679 C CZ . ARG B 6 ? 0.6048 0.5943 0.4999 -0.1373 -0.0455 -0.0295 21 ARG B CZ 1680 N NH1 . ARG B 6 ? 0.6403 0.6181 0.5253 -0.1468 -0.0480 -0.0324 21 ARG B NH1 1681 N NH2 . ARG B 6 ? 0.6784 0.6833 0.5870 -0.1381 -0.0429 -0.0274 21 ARG B NH2 1682 N N . ALA B 7 ? 0.3789 0.3159 0.2243 -0.0932 -0.0461 -0.0279 22 ALA B N 1683 C CA . ALA B 7 ? 0.3980 0.3305 0.2344 -0.0912 -0.0509 -0.0294 22 ALA B CA 1684 C C . ALA B 7 ? 0.4198 0.3612 0.2586 -0.0984 -0.0589 -0.0327 22 ALA B C 1685 O O . ALA B 7 ? 0.4030 0.3601 0.2548 -0.1028 -0.0612 -0.0331 22 ALA B O 1686 C CB . ALA B 7 ? 0.3841 0.3247 0.2263 -0.0831 -0.0513 -0.0272 22 ALA B CB 1687 N N . ARG B 8 ? 0.4480 0.3810 0.2746 -0.0994 -0.0635 -0.0351 23 ARG B N 1688 C CA . ARG B 8 ? 0.4506 0.3950 0.2806 -0.1047 -0.0720 -0.0380 23 ARG B CA 1689 C C . ARG B 8 ? 0.4305 0.3937 0.2729 -0.0987 -0.0758 -0.0366 23 ARG B C 1690 O O . ARG B 8 ? 0.4175 0.3785 0.2590 -0.0905 -0.0733 -0.0341 23 ARG B O 1691 C CB . ARG B 8 ? 0.4912 0.4213 0.3038 -0.1055 -0.0760 -0.0407 23 ARG B CB 1692 C CG . ARG B 8 ? 0.5283 0.4392 0.3273 -0.1125 -0.0733 -0.0431 23 ARG B CG 1693 C CD . ARG B 8 ? 0.5552 0.4553 0.3382 -0.1146 -0.0792 -0.0465 23 ARG B CD 1694 N NE . ARG B 8 ? 0.5919 0.5086 0.3823 -0.1207 -0.0885 -0.0494 23 ARG B NE 1695 C CZ . ARG B 8 ? 0.5999 0.5203 0.3848 -0.1187 -0.0962 -0.0513 23 ARG B CZ 1696 N NH1 . ARG B 8 ? 0.6155 0.5242 0.3875 -0.1108 -0.0954 -0.0503 23 ARG B NH1 1697 N NH2 . ARG B 8 ? 0.6090 0.5460 0.4016 -0.1245 -0.1046 -0.0539 23 ARG B NH2 1698 N N . PRO B 9 ? 0.4277 0.4089 0.2808 -0.1026 -0.0820 -0.0381 24 PRO B N 1699 C CA . PRO B 9 ? 0.4090 0.4073 0.2731 -0.0951 -0.0851 -0.0364 24 PRO B CA 1700 C C . PRO B 9 ? 0.4092 0.3995 0.2628 -0.0872 -0.0872 -0.0357 24 PRO B C 1701 O O . PRO B 9 ? 0.4245 0.4066 0.2661 -0.0887 -0.0916 -0.0378 24 PRO B O 1702 C CB . PRO B 9 ? 0.4127 0.4313 0.2873 -0.1009 -0.0928 -0.0388 24 PRO B CB 1703 C CG . PRO B 9 ? 0.4169 0.4322 0.2917 -0.1124 -0.0912 -0.0408 24 PRO B CG 1704 C CD . PRO B 9 ? 0.4319 0.4207 0.2888 -0.1134 -0.0863 -0.0412 24 PRO B CD 1705 N N . HIS B 10 ? 0.3933 0.3853 0.2505 -0.0787 -0.0844 -0.0327 25 HIS B N 1706 C CA . HIS B 10 ? 0.3939 0.3790 0.2416 -0.0712 -0.0863 -0.0315 25 HIS B CA 1707 C C . HIS B 10 ? 0.3967 0.3603 0.2267 -0.0708 -0.0834 -0.0316 25 HIS B C 1708 O O . HIS B 10 ? 0.3888 0.3462 0.2091 -0.0660 -0.0859 -0.0312 25 HIS B O 1709 C CB . HIS B 10 ? 0.4178 0.4159 0.2673 -0.0694 -0.0956 -0.0331 25 HIS B CB 1710 C CG . HIS B 10 ? 0.4215 0.4421 0.2888 -0.0694 -0.0981 -0.0330 25 HIS B CG 1711 N ND1 . HIS B 10 ? 0.4083 0.4357 0.2851 -0.0630 -0.0946 -0.0303 25 HIS B ND1 1712 C CD2 . HIS B 10 ? 0.4271 0.4649 0.3047 -0.0754 -0.1031 -0.0353 25 HIS B CD2 1713 C CE1 . HIS B 10 ? 0.4136 0.4611 0.3053 -0.0643 -0.0970 -0.0308 25 HIS B CE1 1714 N NE2 . HIS B 10 ? 0.4219 0.4770 0.3149 -0.0719 -0.1022 -0.0337 25 HIS B NE2 1715 N N . ALA B 11 ? 0.3898 0.3419 0.2154 -0.0748 -0.0775 -0.0318 26 ALA B N 1716 C CA . ALA B 11 ? 0.4010 0.3325 0.2096 -0.0733 -0.0736 -0.0315 26 ALA B CA 1717 C C . ALA B 11 ? 0.4030 0.3290 0.2088 -0.0652 -0.0689 -0.0280 26 ALA B C 1718 O O . ALA B 11 ? 0.4178 0.3305 0.2098 -0.0624 -0.0677 -0.0275 26 ALA B O 1719 C CB . ALA B 11 ? 0.4014 0.3226 0.2068 -0.0782 -0.0677 -0.0321 26 ALA B CB 1720 N N . TRP B 12 ? 0.3790 0.3152 0.1977 -0.0616 -0.0664 -0.0255 27 TRP B N 1721 C CA . TRP B 12 ? 0.3811 0.3118 0.1976 -0.0552 -0.0617 -0.0223 27 TRP B CA 1722 C C . TRP B 12 ? 0.3763 0.3186 0.2010 -0.0505 -0.0656 -0.0210 27 TRP B C 1723 O O . TRP B 12 ? 0.3496 0.3010 0.1865 -0.0489 -0.0633 -0.0197 27 TRP B O 1724 C CB . TRP B 12 ? 0.3764 0.3049 0.1983 -0.0554 -0.0537 -0.0204 27 TRP B CB 1725 C CG . TRP B 12 ? 0.3778 0.2964 0.1925 -0.0602 -0.0508 -0.0220 27 TRP B CG 1726 C CD1 . TRP B 12 ? 0.3811 0.3035 0.2026 -0.0649 -0.0492 -0.0230 27 TRP B CD1 1727 C CD2 . TRP B 12 ? 0.3945 0.2969 0.1930 -0.0604 -0.0491 -0.0228 27 TRP B CD2 1728 N NE1 . TRP B 12 ? 0.3913 0.2998 0.2015 -0.0681 -0.0465 -0.0243 27 TRP B NE1 1729 C CE2 . TRP B 12 ? 0.3982 0.2945 0.1941 -0.0653 -0.0465 -0.0244 27 TRP B CE2 1730 C CE3 . TRP B 12 ? 0.4071 0.2988 0.1920 -0.0567 -0.0492 -0.0222 27 TRP B CE3 1731 C CZ2 . TRP B 12 ? 0.4260 0.3053 0.2061 -0.0662 -0.0439 -0.0256 27 TRP B CZ2 1732 C CZ3 . TRP B 12 ? 0.4330 0.3087 0.2019 -0.0576 -0.0468 -0.0234 27 TRP B CZ3 1733 C CH2 . TRP B 12 ? 0.4383 0.3076 0.2047 -0.0623 -0.0444 -0.0254 27 TRP B CH2 1734 N N . PRO B 13 ? 0.3894 0.3303 0.2062 -0.0476 -0.0714 -0.0215 28 PRO B N 1735 C CA . PRO B 13 ? 0.3830 0.3350 0.2060 -0.0430 -0.0766 -0.0209 28 PRO B CA 1736 C C . PRO B 13 ? 0.3700 0.3194 0.1945 -0.0368 -0.0730 -0.0177 28 PRO B C 1737 O O . PRO B 13 ? 0.3559 0.3133 0.1853 -0.0322 -0.0766 -0.0170 28 PRO B O 1738 C CB . PRO B 13 ? 0.4043 0.3530 0.2156 -0.0421 -0.0836 -0.0225 28 PRO B CB 1739 C CG . PRO B 13 ? 0.4164 0.3478 0.2124 -0.0443 -0.0803 -0.0229 28 PRO B CG 1740 C CD . PRO B 13 ? 0.4105 0.3391 0.2111 -0.0491 -0.0738 -0.0231 28 PRO B CD 1741 N N . PHE B 14 ? 0.3711 0.3096 0.1914 -0.0366 -0.0659 -0.0156 29 PHE B N 1742 C CA . PHE B 14 ? 0.3630 0.2993 0.1862 -0.0326 -0.0616 -0.0127 29 PHE B CA 1743 C C . PHE B 14 ? 0.3598 0.3052 0.1971 -0.0343 -0.0577 -0.0126 29 PHE B C 1744 O O . PHE B 14 ? 0.3569 0.3016 0.1978 -0.0320 -0.0542 -0.0107 29 PHE B O 1745 C CB . PHE B 14 ? 0.3682 0.2896 0.1801 -0.0320 -0.0557 -0.0105 29 PHE B CB 1746 C CG . PHE B 14 ? 0.3822 0.2981 0.1905 -0.0362 -0.0516 -0.0115 29 PHE B CG 1747 C CD1 . PHE B 14 ? 0.3776 0.2973 0.1947 -0.0386 -0.0466 -0.0113 29 PHE B CD1 1748 C CD2 . PHE B 14 ? 0.3976 0.3037 0.1924 -0.0374 -0.0529 -0.0127 29 PHE B CD2 1749 C CE1 . PHE B 14 ? 0.3905 0.3043 0.2033 -0.0419 -0.0430 -0.0122 29 PHE B CE1 1750 C CE2 . PHE B 14 ? 0.4021 0.3016 0.1922 -0.0406 -0.0491 -0.0137 29 PHE B CE2 1751 C CZ . PHE B 14 ? 0.3926 0.2961 0.1919 -0.0429 -0.0442 -0.0135 29 PHE B CZ 1752 N N . MET B 15 ? 0.3496 0.3023 0.1940 -0.0389 -0.0579 -0.0146 30 MET B N 1753 C CA . MET B 15 ? 0.3325 0.2929 0.1889 -0.0402 -0.0540 -0.0142 30 MET B CA 1754 C C . MET B 15 ? 0.3262 0.2993 0.1932 -0.0371 -0.0571 -0.0143 30 MET B C 1755 O O . MET B 15 ? 0.3482 0.3304 0.2183 -0.0368 -0.0628 -0.0158 30 MET B O 1756 C CB . MET B 15 ? 0.3264 0.2900 0.1862 -0.0461 -0.0532 -0.0161 30 MET B CB 1757 C CG . MET B 15 ? 0.3174 0.2877 0.1881 -0.0475 -0.0487 -0.0155 30 MET B CG 1758 S SD . MET B 15 ? 0.3024 0.2629 0.1697 -0.0452 -0.0410 -0.0129 30 MET B SD 1759 C CE . MET B 15 ? 0.2948 0.2670 0.1764 -0.0450 -0.0382 -0.0123 30 MET B CE 1760 N N . VAL B 16 ? 0.3057 0.2807 0.1789 -0.0349 -0.0533 -0.0129 31 VAL B N 1761 C CA . VAL B 16 ? 0.2987 0.2831 0.1800 -0.0309 -0.0556 -0.0128 31 VAL B CA 1762 C C . VAL B 16 ? 0.2913 0.2848 0.1840 -0.0325 -0.0522 -0.0130 31 VAL B C 1763 O O . VAL B 16 ? 0.2740 0.2631 0.1669 -0.0351 -0.0471 -0.0123 31 VAL B O 1764 C CB . VAL B 16 ? 0.3049 0.2800 0.1799 -0.0260 -0.0546 -0.0108 31 VAL B CB 1765 C CG1 . VAL B 16 ? 0.3050 0.2873 0.1867 -0.0214 -0.0563 -0.0109 31 VAL B CG1 1766 C CG2 . VAL B 16 ? 0.3168 0.2833 0.1799 -0.0238 -0.0582 -0.0104 31 VAL B CG2 1767 N N . SER B 17 ? 0.2890 0.2954 0.1908 -0.0306 -0.0551 -0.0139 32 SER B N 1768 C CA . SER B 17 ? 0.2919 0.3072 0.2041 -0.0312 -0.0519 -0.0140 32 SER B CA 1769 C C . SER B 17 ? 0.2971 0.3136 0.2113 -0.0251 -0.0522 -0.0134 32 SER B C 1770 O O . SER B 17 ? 0.3199 0.3397 0.2332 -0.0204 -0.0567 -0.0138 32 SER B O 1771 C CB . SER B 17 ? 0.2861 0.3158 0.2072 -0.0341 -0.0542 -0.0155 32 SER B CB 1772 O OG . SER B 17 ? 0.2837 0.3225 0.2142 -0.0337 -0.0514 -0.0153 32 SER B OG 1773 N N . LEU B 18 ? 0.2876 0.3007 0.2034 -0.0247 -0.0479 -0.0126 33 LEU B N 1774 C CA . LEU B 18 ? 0.2915 0.3055 0.2091 -0.0195 -0.0482 -0.0125 33 LEU B CA 1775 C C . LEU B 18 ? 0.2906 0.3180 0.2187 -0.0188 -0.0474 -0.0135 33 LEU B C 1776 O O . LEU B 18 ? 0.2790 0.3096 0.2115 -0.0228 -0.0440 -0.0134 33 LEU B O 1777 C CB . LEU B 18 ? 0.2916 0.2949 0.2049 -0.0198 -0.0444 -0.0114 33 LEU B CB 1778 C CG . LEU B 18 ? 0.3047 0.2945 0.2074 -0.0207 -0.0441 -0.0100 33 LEU B CG 1779 C CD1 . LEU B 18 ? 0.3038 0.2857 0.2043 -0.0220 -0.0399 -0.0089 33 LEU B CD1 1780 C CD2 . LEU B 18 ? 0.3015 0.2867 0.1974 -0.0161 -0.0486 -0.0099 33 LEU B CD2 1781 N N . GLN B 19 ? 0.2942 0.3293 0.2257 -0.0135 -0.0505 -0.0142 34 GLN B N 1782 C CA . GLN B 19 ? 0.3139 0.3629 0.2552 -0.0125 -0.0497 -0.0150 34 GLN B CA 1783 C C . GLN B 19 ? 0.3268 0.3761 0.2685 -0.0060 -0.0496 -0.0154 34 GLN B C 1784 O O . GLN B 19 ? 0.3346 0.3756 0.2696 -0.0013 -0.0517 -0.0153 34 GLN B O 1785 C CB . GLN B 19 ? 0.3107 0.3730 0.2574 -0.0124 -0.0536 -0.0157 34 GLN B CB 1786 C CG . GLN B 19 ? 0.3139 0.3733 0.2578 -0.0191 -0.0544 -0.0157 34 GLN B CG 1787 C CD . GLN B 19 ? 0.3181 0.3924 0.2693 -0.0221 -0.0574 -0.0167 34 GLN B CD 1788 O OE1 . GLN B 19 ? 0.3019 0.3902 0.2604 -0.0183 -0.0596 -0.0172 34 GLN B OE1 1789 N NE2 . GLN B 19 ? 0.2991 0.3703 0.2479 -0.0289 -0.0575 -0.0170 34 GLN B NE2 1790 N N . LEU B 20 ? 0.3649 0.4232 0.3139 -0.0058 -0.0470 -0.0158 35 LEU B N 1791 C CA . LEU B 20 ? 0.4347 0.4962 0.3851 0.0005 -0.0469 -0.0166 35 LEU B CA 1792 C C . LEU B 20 ? 0.4732 0.5520 0.4336 0.0013 -0.0463 -0.0171 35 LEU B C 1793 O O . LEU B 20 ? 0.5256 0.6099 0.4912 -0.0045 -0.0436 -0.0166 35 LEU B O 1794 C CB . LEU B 20 ? 0.4410 0.4946 0.3892 -0.0004 -0.0433 -0.0167 35 LEU B CB 1795 C CG . LEU B 20 ? 0.4834 0.5216 0.4225 0.0011 -0.0437 -0.0168 35 LEU B CG 1796 C CD1 . LEU B 20 ? 0.4956 0.5299 0.4346 -0.0011 -0.0403 -0.0171 35 LEU B CD1 1797 C CD2 . LEU B 20 ? 0.4990 0.5340 0.4336 0.0087 -0.0465 -0.0177 35 LEU B CD2 1798 N N . ARG B 21 ? 0.5172 0.6035 0.4797 0.0085 -0.0483 -0.0178 36 ARG B N 1799 C CA . ARG B 21 ? 0.6016 0.7045 0.5733 0.0110 -0.0468 -0.0181 36 ARG B CA 1800 C C . ARG B 21 ? 0.5713 0.6898 0.5522 0.0061 -0.0472 -0.0177 36 ARG B C 1801 O O . ARG B 21 ? 0.5575 0.6799 0.5429 -0.0002 -0.0438 -0.0171 36 ARG B O 1802 C CB . ARG B 21 ? 0.6675 0.7689 0.6404 0.0096 -0.0421 -0.0182 36 ARG B CB 1803 C CG . ARG B 21 ? 0.7840 0.8734 0.7492 0.0150 -0.0417 -0.0192 36 ARG B CG 1804 C CD . ARG B 21 ? 0.8793 0.9765 0.8458 0.0242 -0.0426 -0.0203 36 ARG B CD 1805 N NE . ARG B 21 ? 0.9808 1.0872 0.9525 0.0252 -0.0388 -0.0207 36 ARG B NE 1806 C CZ . ARG B 21 ? 1.0054 1.1183 0.9778 0.0332 -0.0382 -0.0217 36 ARG B CZ 1807 N NH1 . ARG B 21 ? 0.9426 1.0538 0.9109 0.0416 -0.0412 -0.0225 36 ARG B NH1 1808 N NH2 . ARG B 21 ? 0.9867 1.1072 0.9630 0.0333 -0.0343 -0.0218 36 ARG B NH2 1809 N N . GLY B 22 ? 0.5238 0.6349 0.4993 -0.0002 -0.0523 -0.0173 38 GLY B N 1810 C CA . GLY B 22 ? 0.4942 0.6134 0.4747 -0.0077 -0.0531 -0.0172 38 GLY B CA 1811 C C . GLY B 22 ? 0.4655 0.5765 0.4444 -0.0161 -0.0490 -0.0166 38 GLY B C 1812 O O . GLY B 22 ? 0.4994 0.6147 0.4811 -0.0230 -0.0491 -0.0166 38 GLY B O 1813 N N . GLY B 23 ? 0.4189 0.5192 0.3936 -0.0155 -0.0452 -0.0161 39 GLY B N 1814 C CA . GLY B 23 ? 0.3690 0.4611 0.3413 -0.0222 -0.0416 -0.0153 39 GLY B CA 1815 C C . GLY B 23 ? 0.3247 0.4004 0.2872 -0.0234 -0.0419 -0.0150 39 GLY B C 1816 O O . GLY B 23 ? 0.2920 0.3593 0.2496 -0.0192 -0.0418 -0.0149 39 GLY B O 1817 N N . HIS B 24 ? 0.2931 0.3640 0.2527 -0.0294 -0.0416 -0.0147 40 HIS B N 1818 C CA . HIS B 24 ? 0.2802 0.3362 0.2309 -0.0313 -0.0406 -0.0142 40 HIS B CA 1819 C C . HIS B 24 ? 0.2813 0.3307 0.2304 -0.0304 -0.0361 -0.0132 40 HIS B C 1820 O O . HIS B 24 ? 0.3031 0.3568 0.2565 -0.0322 -0.0328 -0.0128 40 HIS B O 1821 C CB . HIS B 24 ? 0.2636 0.3161 0.2117 -0.0380 -0.0399 -0.0142 40 HIS B CB 1822 C CG . HIS B 24 ? 0.2549 0.2925 0.1937 -0.0396 -0.0379 -0.0134 40 HIS B CG 1823 N ND1 . HIS B 24 ? 0.2685 0.2979 0.1995 -0.0386 -0.0407 -0.0136 40 HIS B ND1 1824 C CD2 . HIS B 24 ? 0.2528 0.2829 0.1885 -0.0415 -0.0333 -0.0124 40 HIS B CD2 1825 C CE1 . HIS B 24 ? 0.2713 0.2890 0.1952 -0.0402 -0.0376 -0.0127 40 HIS B CE1 1826 N NE2 . HIS B 24 ? 0.2609 0.2793 0.1879 -0.0415 -0.0331 -0.0119 40 HIS B NE2 1827 N N . PHE B 25 ? 0.2633 0.3026 0.2063 -0.0281 -0.0359 -0.0128 41 PHE B N 1828 C CA . PHE B 25 ? 0.2604 0.2941 0.2021 -0.0283 -0.0318 -0.0120 41 PHE B CA 1829 C C . PHE B 25 ? 0.2493 0.2714 0.1836 -0.0304 -0.0302 -0.0109 41 PHE B C 1830 O O . PHE B 25 ? 0.2396 0.2588 0.1733 -0.0315 -0.0266 -0.0100 41 PHE B O 1831 C CB . PHE B 25 ? 0.2524 0.2874 0.1957 -0.0239 -0.0319 -0.0125 41 PHE B CB 1832 C CG . PHE B 25 ? 0.2515 0.2789 0.1891 -0.0209 -0.0347 -0.0127 41 PHE B CG 1833 C CD1 . PHE B 25 ? 0.2661 0.2966 0.2036 -0.0171 -0.0386 -0.0135 41 PHE B CD1 1834 C CD2 . PHE B 25 ? 0.2604 0.2773 0.1922 -0.0220 -0.0333 -0.0119 41 PHE B CD2 1835 C CE1 . PHE B 25 ? 0.2651 0.2866 0.1957 -0.0140 -0.0410 -0.0135 41 PHE B CE1 1836 C CE2 . PHE B 25 ? 0.2615 0.2697 0.1868 -0.0199 -0.0354 -0.0118 41 PHE B CE2 1837 C CZ . PHE B 25 ? 0.2763 0.2858 0.2003 -0.0158 -0.0393 -0.0126 41 PHE B CZ 1838 N N . CYS B 26 ? 0.2484 0.2646 0.1768 -0.0312 -0.0327 -0.0110 42 CYS B N 1839 C CA . CYS B 26 ? 0.2504 0.2558 0.1712 -0.0327 -0.0308 -0.0099 42 CYS B CA 1840 C C . CYS B 26 ? 0.2545 0.2550 0.1688 -0.0336 -0.0341 -0.0102 42 CYS B C 1841 O O . CYS B 26 ? 0.2423 0.2471 0.1575 -0.0317 -0.0385 -0.0112 42 CYS B O 1842 C CB . CYS B 26 ? 0.2565 0.2563 0.1746 -0.0304 -0.0302 -0.0092 42 CYS B CB 1843 S SG . CYS B 26 ? 0.2570 0.2572 0.1781 -0.0313 -0.0254 -0.0082 42 CYS B SG 1844 N N . GLY B 27 ? 0.2503 0.2423 0.1579 -0.0358 -0.0318 -0.0094 43 GLY B N 1845 C CA . GLY B 27 ? 0.2626 0.2476 0.1619 -0.0361 -0.0346 -0.0096 43 GLY B CA 1846 C C . GLY B 27 ? 0.2622 0.2387 0.1548 -0.0335 -0.0347 -0.0083 43 GLY B C 1847 O O . GLY B 27 ? 0.2744 0.2500 0.1687 -0.0322 -0.0325 -0.0074 43 GLY B O 1848 N N . ALA B 28 ? 0.2721 0.2424 0.1565 -0.0330 -0.0375 -0.0083 44 ALA B N 1849 C CA . ALA B 28 ? 0.2748 0.2353 0.1505 -0.0308 -0.0378 -0.0069 44 ALA B CA 1850 C C . ALA B 28 ? 0.2812 0.2348 0.1468 -0.0313 -0.0402 -0.0071 44 ALA B C 1851 O O . ALA B 28 ? 0.2756 0.2324 0.1414 -0.0336 -0.0422 -0.0087 44 ALA B O 1852 C CB . ALA B 28 ? 0.2681 0.2309 0.1460 -0.0267 -0.0411 -0.0070 44 ALA B CB 1853 N N . THR B 29 ? 0.2888 0.2324 0.1449 -0.0297 -0.0398 -0.0055 45 THR B N 1854 C CA . THR B 29 ? 0.3023 0.2376 0.1470 -0.0297 -0.0414 -0.0054 45 THR B CA 1855 C C . THR B 29 ? 0.3163 0.2456 0.1532 -0.0255 -0.0452 -0.0043 45 THR B C 1856 O O . THR B 29 ? 0.3179 0.2424 0.1535 -0.0237 -0.0434 -0.0025 45 THR B O 1857 C CB . THR B 29 ? 0.3120 0.2377 0.1493 -0.0313 -0.0356 -0.0035 45 THR B CB 1858 O OG1 . THR B 29 ? 0.2974 0.2266 0.1397 -0.0341 -0.0319 -0.0041 45 THR B OG1 1859 C CG2 . THR B 29 ? 0.3270 0.2435 0.1509 -0.0309 -0.0377 -0.0037 45 THR B CG2 1860 N N . LEU B 30 ? 0.3328 0.2626 0.1645 -0.0240 -0.0508 -0.0056 46 LEU B N 1861 C CA . LEU B 30 ? 0.3443 0.2683 0.1676 -0.0191 -0.0548 -0.0044 46 LEU B CA 1862 C C . LEU B 30 ? 0.3619 0.2709 0.1708 -0.0191 -0.0518 -0.0021 46 LEU B C 1863 O O . LEU B 30 ? 0.3618 0.2669 0.1644 -0.0213 -0.0509 -0.0027 46 LEU B O 1864 C CB . LEU B 30 ? 0.3544 0.2860 0.1778 -0.0171 -0.0621 -0.0065 46 LEU B CB 1865 C CG . LEU B 30 ? 0.3667 0.2929 0.1807 -0.0108 -0.0669 -0.0053 46 LEU B CG 1866 C CD1 . LEU B 30 ? 0.3648 0.2958 0.1857 -0.0064 -0.0679 -0.0048 46 LEU B CD1 1867 C CD2 . LEU B 30 ? 0.3789 0.3124 0.1911 -0.0099 -0.0740 -0.0074 46 LEU B CD2 1868 N N . ILE B 31 ? 0.3738 0.2744 0.1781 -0.0170 -0.0493 0.0003 47 ILE B N 1869 C CA . ILE B 31 ? 0.3945 0.2819 0.1870 -0.0176 -0.0450 0.0030 47 ILE B CA 1870 C C . ILE B 31 ? 0.4118 0.2883 0.1911 -0.0129 -0.0480 0.0050 47 ILE B C 1871 O O . ILE B 31 ? 0.4284 0.2939 0.1967 -0.0133 -0.0448 0.0073 47 ILE B O 1872 C CB . ILE B 31 ? 0.3985 0.2840 0.1955 -0.0209 -0.0378 0.0049 47 ILE B CB 1873 C CG1 . ILE B 31 ? 0.3946 0.2801 0.1964 -0.0193 -0.0383 0.0056 47 ILE B CG1 1874 C CG2 . ILE B 31 ? 0.3917 0.2864 0.1990 -0.0249 -0.0344 0.0033 47 ILE B CG2 1875 C CD1 . ILE B 31 ? 0.3910 0.2731 0.1949 -0.0230 -0.0319 0.0077 47 ILE B CD1 1876 N N . ALA B 32 ? 0.4188 0.2988 0.1996 -0.0084 -0.0537 0.0043 48 ALA B N 1877 C CA . ALA B 32 ? 0.4423 0.3144 0.2112 -0.0026 -0.0582 0.0056 48 ALA B CA 1878 C C . ALA B 32 ? 0.4533 0.3383 0.2306 0.0016 -0.0653 0.0031 48 ALA B C 1879 O O . ALA B 32 ? 0.4346 0.3330 0.2265 -0.0005 -0.0653 0.0009 48 ALA B O 1880 C CB . ALA B 32 ? 0.4536 0.3126 0.2152 -0.0009 -0.0549 0.0088 48 ALA B CB 1881 N N . PRO B 33 ? 0.4685 0.3509 0.2368 0.0080 -0.0713 0.0036 49 PRO B N 1882 C CA . PRO B 33 ? 0.4664 0.3632 0.2435 0.0125 -0.0778 0.0014 49 PRO B CA 1883 C C . PRO B 33 ? 0.4732 0.3757 0.2611 0.0144 -0.0765 0.0011 49 PRO B C 1884 O O . PRO B 33 ? 0.4985 0.4171 0.2984 0.0157 -0.0801 -0.0012 49 PRO B O 1885 C CB . PRO B 33 ? 0.4839 0.3732 0.2471 0.0203 -0.0833 0.0029 49 PRO B CB 1886 C CG . PRO B 33 ? 0.4892 0.3659 0.2378 0.0178 -0.0817 0.0043 49 PRO B CG 1887 C CD . PRO B 33 ? 0.4846 0.3527 0.2349 0.0115 -0.0727 0.0059 49 PRO B CD 1888 N N . ASN B 34 ? 0.4735 0.3628 0.2566 0.0143 -0.0716 0.0034 50 ASN B N 1889 C CA . ASN B 34 ? 0.4756 0.3667 0.2661 0.0161 -0.0701 0.0031 50 ASN B CA 1890 C C . ASN B 34 ? 0.4464 0.3351 0.2433 0.0092 -0.0632 0.0033 50 ASN B C 1891 O O . ASN B 34 ? 0.4410 0.3271 0.2407 0.0103 -0.0616 0.0033 50 ASN B O 1892 C CB . ASN B 34 ? 0.5074 0.3845 0.2853 0.0237 -0.0720 0.0053 50 ASN B CB 1893 C CG . ASN B 34 ? 0.5333 0.3898 0.2966 0.0214 -0.0674 0.0087 50 ASN B CG 1894 O OD1 . ASN B 34 ? 0.5477 0.4001 0.3064 0.0166 -0.0646 0.0098 50 ASN B OD1 1895 N ND2 . ASN B 34 ? 0.5406 0.3839 0.2969 0.0244 -0.0660 0.0104 50 ASN B ND2 1896 N N . PHE B 35 ? 0.4213 0.3112 0.2205 0.0024 -0.0592 0.0033 51 PHE B N 1897 C CA . PHE B 35 ? 0.3998 0.2910 0.2068 -0.0034 -0.0533 0.0033 51 PHE B CA 1898 C C . PHE B 35 ? 0.3776 0.2815 0.1949 -0.0082 -0.0521 0.0013 51 PHE B C 1899 O O . PHE B 35 ? 0.3788 0.2827 0.1918 -0.0097 -0.0528 0.0010 51 PHE B O 1900 C CB . PHE B 35 ? 0.4069 0.2841 0.2048 -0.0071 -0.0478 0.0062 51 PHE B CB 1901 C CG . PHE B 35 ? 0.4296 0.2919 0.2168 -0.0041 -0.0476 0.0085 51 PHE B CG 1902 C CD1 . PHE B 35 ? 0.4408 0.3000 0.2316 -0.0053 -0.0453 0.0085 51 PHE B CD1 1903 C CD2 . PHE B 35 ? 0.4516 0.3016 0.2239 -0.0002 -0.0495 0.0107 51 PHE B CD2 1904 C CE1 . PHE B 35 ? 0.4527 0.2958 0.2323 -0.0031 -0.0450 0.0106 51 PHE B CE1 1905 C CE2 . PHE B 35 ? 0.4657 0.2997 0.2265 0.0025 -0.0490 0.0132 51 PHE B CE2 1906 C CZ . PHE B 35 ? 0.4652 0.2954 0.2297 0.0008 -0.0466 0.0131 51 PHE B CZ 1907 N N . VAL B 36 ? 0.3520 0.2650 0.1812 -0.0106 -0.0500 0.0000 52 VAL B N 1908 C CA . VAL B 36 ? 0.3436 0.2650 0.1811 -0.0157 -0.0469 -0.0011 52 VAL B CA 1909 C C . VAL B 36 ? 0.3446 0.2633 0.1852 -0.0199 -0.0407 0.0000 52 VAL B C 1910 O O . VAL B 36 ? 0.3643 0.2795 0.2057 -0.0196 -0.0393 0.0006 52 VAL B O 1911 C CB . VAL B 36 ? 0.3303 0.2672 0.1801 -0.0155 -0.0497 -0.0038 52 VAL B CB 1912 C CG1 . VAL B 36 ? 0.3355 0.2774 0.1833 -0.0117 -0.0562 -0.0050 52 VAL B CG1 1913 C CG2 . VAL B 36 ? 0.3142 0.2569 0.1729 -0.0145 -0.0487 -0.0045 52 VAL B CG2 1914 N N . MET B 37 ? 0.3426 0.2642 0.1856 -0.0238 -0.0371 0.0000 53 MET B N 1915 C CA . MET B 37 ? 0.3380 0.2608 0.1862 -0.0274 -0.0316 0.0008 53 MET B CA 1916 C C . MET B 37 ? 0.3064 0.2409 0.1655 -0.0292 -0.0304 -0.0008 53 MET B C 1917 O O . MET B 37 ? 0.2993 0.2377 0.1591 -0.0297 -0.0318 -0.0021 53 MET B O 1918 C CB . MET B 37 ? 0.3593 0.2729 0.1988 -0.0296 -0.0269 0.0032 53 MET B CB 1919 C CG . MET B 37 ? 0.3650 0.2800 0.2034 -0.0314 -0.0241 0.0032 53 MET B CG 1920 S SD . MET B 37 ? 0.3926 0.2978 0.2207 -0.0332 -0.0178 0.0062 53 MET B SD 1921 C CE . MET B 37 ? 0.3786 0.2863 0.2050 -0.0331 -0.0185 0.0042 53 MET B CE 1922 N N . SER B 38 ? 0.2931 0.2317 0.1593 -0.0309 -0.0273 -0.0006 54 SER B N 1923 C CA . SER B 38 ? 0.2774 0.2266 0.1537 -0.0320 -0.0260 -0.0020 54 SER B CA 1924 C C . SER B 38 ? 0.2724 0.2233 0.1528 -0.0344 -0.0213 -0.0008 54 SER B C 1925 O O . SER B 38 ? 0.2744 0.2189 0.1500 -0.0358 -0.0187 0.0009 54 SER B O 1926 C CB . SER B 38 ? 0.2755 0.2327 0.1586 -0.0295 -0.0303 -0.0041 54 SER B CB 1927 O OG . SER B 38 ? 0.2521 0.2193 0.1441 -0.0306 -0.0291 -0.0052 54 SER B OG 1928 N N . ALA B 39 ? 0.2563 0.2165 0.1457 -0.0348 -0.0202 -0.0018 55 ALA B N 1929 C CA . ALA B 39 ? 0.2456 0.2097 0.1399 -0.0368 -0.0162 -0.0009 55 ALA B CA 1930 C C . ALA B 39 ? 0.2394 0.2051 0.1374 -0.0366 -0.0179 -0.0018 55 ALA B C 1931 O O . ALA B 39 ? 0.2412 0.2089 0.1412 -0.0343 -0.0214 -0.0035 55 ALA B O 1932 C CB . ALA B 39 ? 0.2397 0.2121 0.1401 -0.0367 -0.0142 -0.0014 55 ALA B CB 1933 N N . ALA B 40 ? 0.2479 0.2123 0.1463 -0.0391 -0.0155 -0.0008 56 ALA B N 1934 C CA . ALA B 40 ? 0.2489 0.2133 0.1497 -0.0396 -0.0172 -0.0020 56 ALA B CA 1935 C C . ALA B 40 ? 0.2376 0.2125 0.1469 -0.0381 -0.0181 -0.0039 56 ALA B C 1936 O O . ALA B 40 ? 0.2292 0.2041 0.1396 -0.0365 -0.0209 -0.0057 56 ALA B O 1937 C CB . ALA B 40 ? 0.2605 0.2230 0.1610 -0.0439 -0.0143 -0.0005 56 ALA B CB 1938 N N . HIS B 41 ? 0.2248 0.2075 0.1389 -0.0381 -0.0157 -0.0035 57 HIS B N 1939 C CA . HIS B 41 ? 0.2274 0.2195 0.1486 -0.0366 -0.0163 -0.0050 57 HIS B CA 1940 C C . HIS B 41 ? 0.2360 0.2293 0.1577 -0.0335 -0.0195 -0.0066 57 HIS B C 1941 O O . HIS B 41 ? 0.2324 0.2319 0.1588 -0.0318 -0.0205 -0.0080 57 HIS B O 1942 C CB . HIS B 41 ? 0.2169 0.2162 0.1422 -0.0369 -0.0127 -0.0039 57 HIS B CB 1943 C CG . HIS B 41 ? 0.2181 0.2170 0.1417 -0.0357 -0.0117 -0.0034 57 HIS B CG 1944 N ND1 . HIS B 41 ? 0.2232 0.2168 0.1416 -0.0365 -0.0094 -0.0018 57 HIS B ND1 1945 C CD2 . HIS B 41 ? 0.2120 0.2144 0.1378 -0.0342 -0.0126 -0.0043 57 HIS B CD2 1946 C CE1 . HIS B 41 ? 0.2181 0.2119 0.1356 -0.0356 -0.0089 -0.0019 57 HIS B CE1 1947 N NE2 . HIS B 41 ? 0.2118 0.2109 0.1339 -0.0346 -0.0109 -0.0033 57 HIS B NE2 1948 N N . CYS B 42 ? 0.2429 0.2308 0.1597 -0.0327 -0.0212 -0.0063 58 CYS B N 1949 C CA . CYS B 42 ? 0.2589 0.2494 0.1765 -0.0299 -0.0246 -0.0077 58 CYS B CA 1950 C C . CYS B 42 ? 0.2589 0.2476 0.1758 -0.0272 -0.0276 -0.0091 58 CYS B C 1951 O O . CYS B 42 ? 0.2467 0.2415 0.1675 -0.0245 -0.0294 -0.0104 58 CYS B O 1952 C CB . CYS B 42 ? 0.2580 0.2435 0.1700 -0.0299 -0.0261 -0.0071 58 CYS B CB 1953 S SG . CYS B 42 ? 0.2662 0.2544 0.1790 -0.0322 -0.0234 -0.0064 58 CYS B SG 1954 N N . VAL B 43 ? 0.2843 0.2642 0.1959 -0.0280 -0.0278 -0.0086 59 VAL B N 1955 C CA . VAL B 43 ? 0.3095 0.2841 0.2178 -0.0249 -0.0308 -0.0099 59 VAL B CA 1956 C C . VAL B 43 ? 0.3157 0.2886 0.2247 -0.0262 -0.0301 -0.0110 59 VAL B C 1957 O O . VAL B 43 ? 0.3287 0.2978 0.2351 -0.0232 -0.0324 -0.0125 59 VAL B O 1958 C CB . VAL B 43 ? 0.3460 0.3092 0.2450 -0.0236 -0.0327 -0.0089 59 VAL B CB 1959 C CG1 . VAL B 43 ? 0.3731 0.3394 0.2716 -0.0221 -0.0342 -0.0084 59 VAL B CG1 1960 C CG2 . VAL B 43 ? 0.3602 0.3143 0.2539 -0.0280 -0.0300 -0.0070 59 VAL B CG2 1961 N N . ALA B 44 ? 0.3373 0.3132 0.2495 -0.0303 -0.0273 -0.0104 60 ALA B N 1962 C CA . ALA B 44 ? 0.3628 0.3405 0.2775 -0.0319 -0.0271 -0.0119 60 ALA B CA 1963 C C . ALA B 44 ? 0.3810 0.3663 0.2999 -0.0277 -0.0286 -0.0139 60 ALA B C 1964 O O . ALA B 44 ? 0.4547 0.4491 0.3788 -0.0259 -0.0279 -0.0135 60 ALA B O 1965 C CB . ALA B 44 ? 0.3423 0.3271 0.2622 -0.0359 -0.0239 -0.0108 60 ALA B CB 1966 N N . ASN B 45 ? 0.3826 0.3628 0.2982 -0.0257 -0.0308 -0.0159 61 ASN B N 1967 C CA . ASN B 45 ? 0.3898 0.3766 0.3085 -0.0211 -0.0321 -0.0180 61 ASN B CA 1968 C C . ASN B 45 ? 0.3829 0.3733 0.3023 -0.0157 -0.0337 -0.0183 61 ASN B C 1969 O O . ASN B 45 ? 0.3586 0.3556 0.2810 -0.0118 -0.0342 -0.0198 61 ASN B O 1970 C CB . ASN B 45 ? 0.4008 0.3994 0.3269 -0.0226 -0.0299 -0.0179 61 ASN B CB 1971 C CG . ASN B 45 ? 0.4038 0.4016 0.3304 -0.0275 -0.0287 -0.0179 61 ASN B CG 1972 O OD1 . ASN B 45 ? 0.3838 0.3737 0.3058 -0.0293 -0.0302 -0.0192 61 ASN B OD1 1973 N ND2 . ASN B 45 ? 0.4110 0.4167 0.3427 -0.0297 -0.0262 -0.0163 61 ASN B ND2 1974 N N . VAL B 46 ? 0.3685 0.3558 0.2855 -0.0152 -0.0344 -0.0168 62 VAL B N 1975 C CA . VAL B 46 ? 0.3651 0.3569 0.2831 -0.0100 -0.0366 -0.0171 62 VAL B CA 1976 C C . VAL B 46 ? 0.3669 0.3494 0.2774 -0.0049 -0.0394 -0.0183 62 VAL B C 1977 O O . VAL B 46 ? 0.3404 0.3098 0.2432 -0.0065 -0.0397 -0.0182 62 VAL B O 1978 C CB . VAL B 46 ? 0.3783 0.3708 0.2963 -0.0122 -0.0364 -0.0151 62 VAL B CB 1979 C CG1 . VAL B 46 ? 0.3757 0.3575 0.2854 -0.0103 -0.0389 -0.0143 62 VAL B CG1 1980 C CG2 . VAL B 46 ? 0.3793 0.3837 0.3040 -0.0112 -0.0365 -0.0151 62 VAL B CG2 1981 N N . ASN B 47 ? 0.3927 0.3813 0.3049 0.0013 -0.0413 -0.0192 63 ASN B N 1982 C CA . ASN B 47 ? 0.4401 0.4189 0.3439 0.0073 -0.0442 -0.0198 63 ASN B CA 1983 C C . ASN B 47 ? 0.4443 0.4211 0.3453 0.0083 -0.0461 -0.0181 63 ASN B C 1984 O O . ASN B 47 ? 0.4383 0.4274 0.3453 0.0107 -0.0473 -0.0178 63 ASN B O 1985 C CB . ASN B 47 ? 0.4883 0.4733 0.3932 0.0157 -0.0458 -0.0216 63 ASN B CB 1986 C CG . ASN B 47 ? 0.5431 0.5147 0.4370 0.0224 -0.0485 -0.0220 63 ASN B CG 1987 O OD1 . ASN B 47 ? 0.5880 0.5427 0.4718 0.0205 -0.0491 -0.0213 63 ASN B OD1 1988 N ND2 . ASN B 47 ? 0.5738 0.5525 0.4690 0.0304 -0.0501 -0.0229 63 ASN B ND2 1989 N N . VAL B 48 ? 0.4503 0.4121 0.3419 0.0067 -0.0465 -0.0170 64 VAL B N 1990 C CA . VAL B 48 ? 0.5159 0.4742 0.4035 0.0065 -0.0478 -0.0151 64 VAL B CA 1991 C C . VAL B 48 ? 0.5371 0.4964 0.4214 0.0151 -0.0517 -0.0153 64 VAL B C 1992 O O . VAL B 48 ? 0.6217 0.5861 0.5068 0.0161 -0.0537 -0.0142 64 VAL B O 1993 C CB . VAL B 48 ? 0.5683 0.5115 0.4475 0.0012 -0.0463 -0.0132 64 VAL B CB 1994 C CG1 . VAL B 48 ? 0.5700 0.5111 0.4515 -0.0054 -0.0429 -0.0136 64 VAL B CG1 1995 C CG2 . VAL B 48 ? 0.5898 0.5168 0.4564 0.0055 -0.0484 -0.0126 64 VAL B CG2 1996 N N . ARG B 49 ? 0.5186 0.4740 0.3992 0.0214 -0.0528 -0.0168 65 ARG B N 1997 C CA . ARG B 49 ? 0.5081 0.4651 0.3853 0.0310 -0.0564 -0.0169 65 ARG B CA 1998 C C . ARG B 49 ? 0.4768 0.4552 0.3660 0.0329 -0.0575 -0.0173 65 ARG B C 1999 O O . ARG B 49 ? 0.5716 0.5551 0.4602 0.0388 -0.0606 -0.0168 65 ARG B O 2000 C CB . ARG B 49 ? 0.4949 0.4429 0.3649 0.0385 -0.0569 -0.0187 65 ARG B CB 2001 C CG . ARG B 49 ? 0.4943 0.4572 0.3721 0.0449 -0.0571 -0.0207 65 ARG B CG 2002 C CD . ARG B 49 ? 0.5084 0.4611 0.3762 0.0551 -0.0587 -0.0219 65 ARG B CD 2003 N NE . ARG B 49 ? 0.5198 0.4514 0.3761 0.0528 -0.0575 -0.0230 65 ARG B NE 2004 C CZ . ARG B 49 ? 0.5361 0.4536 0.3808 0.0605 -0.0584 -0.0243 65 ARG B CZ 2005 N NH1 . ARG B 49 ? 0.5418 0.4649 0.3852 0.0719 -0.0605 -0.0246 65 ARG B NH1 2006 N NH2 . ARG B 49 ? 0.5473 0.4451 0.3815 0.0568 -0.0574 -0.0254 65 ARG B NH2 2007 N N . ALA B 50 ? 0.4428 0.4335 0.3424 0.0282 -0.0550 -0.0180 66 ALA B N 2008 C CA . ALA B 50 ? 0.4367 0.4478 0.3479 0.0292 -0.0555 -0.0183 66 ALA B CA 2009 C C . ALA B 50 ? 0.4318 0.4495 0.3469 0.0239 -0.0566 -0.0170 66 ALA B C 2010 O O . ALA B 50 ? 0.3969 0.4285 0.3218 0.0199 -0.0556 -0.0171 66 ALA B O 2011 C CB . ALA B 50 ? 0.4211 0.4416 0.3408 0.0260 -0.0521 -0.0193 66 ALA B CB 2012 N N . VAL B 51 ? 0.3689 0.3747 0.2801 0.0144 -0.0537 -0.0157 68 VAL B N 2013 C CA . VAL B 51 ? 0.3489 0.3572 0.2618 0.0085 -0.0536 -0.0147 68 VAL B CA 2014 C C . VAL B 51 ? 0.3596 0.3720 0.2707 0.0120 -0.0581 -0.0143 68 VAL B C 2015 O O . VAL B 51 ? 0.3594 0.3637 0.2622 0.0179 -0.0610 -0.0139 68 VAL B O 2016 C CB . VAL B 51 ? 0.3575 0.3519 0.2638 0.0030 -0.0510 -0.0135 68 VAL B CB 2017 C CG1 . VAL B 51 ? 0.3497 0.3450 0.2557 -0.0021 -0.0508 -0.0124 68 VAL B CG1 2018 C CG2 . VAL B 51 ? 0.3450 0.3401 0.2557 -0.0005 -0.0469 -0.0141 68 VAL B CG2 2019 N N . ARG B 52 ? 0.3542 0.3800 0.2731 0.0088 -0.0589 -0.0146 69 ARG B N 2020 C CA . ARG B 52 ? 0.3829 0.4125 0.2998 0.0097 -0.0634 -0.0144 69 ARG B CA 2021 C C . ARG B 52 ? 0.3440 0.3670 0.2571 0.0024 -0.0623 -0.0137 69 ARG B C 2022 O O . ARG B 52 ? 0.3292 0.3539 0.2466 -0.0039 -0.0588 -0.0138 69 ARG B O 2023 C CB . ARG B 52 ? 0.4202 0.4698 0.3480 0.0113 -0.0657 -0.0154 69 ARG B CB 2024 C CG . ARG B 52 ? 0.5202 0.5752 0.4493 0.0207 -0.0674 -0.0159 69 ARG B CG 2025 C CD . ARG B 52 ? 0.6020 0.6785 0.5440 0.0220 -0.0677 -0.0169 69 ARG B CD 2026 N NE . ARG B 52 ? 0.7175 0.8038 0.6604 0.0311 -0.0723 -0.0170 69 ARG B NE 2027 C CZ . ARG B 52 ? 0.7740 0.8633 0.7168 0.0406 -0.0725 -0.0174 69 ARG B CZ 2028 N NH1 . ARG B 52 ? 0.7523 0.8343 0.6933 0.0424 -0.0687 -0.0178 69 ARG B NH1 2029 N NH2 . ARG B 52 ? 0.8632 0.9625 0.8068 0.0491 -0.0770 -0.0174 69 ARG B NH2 2030 N N . VAL B 53 ? 0.3376 0.3525 0.2417 0.0040 -0.0654 -0.0129 70 VAL B N 2031 C CA . VAL B 53 ? 0.3320 0.3383 0.2298 -0.0016 -0.0645 -0.0122 70 VAL B CA 2032 C C . VAL B 53 ? 0.3451 0.3620 0.2453 -0.0024 -0.0692 -0.0132 70 VAL B C 2033 O O . VAL B 53 ? 0.3220 0.3407 0.2181 0.0033 -0.0745 -0.0131 70 VAL B O 2034 C CB . VAL B 53 ? 0.3453 0.3342 0.2298 0.0008 -0.0646 -0.0105 70 VAL B CB 2035 C CG1 . VAL B 53 ? 0.3507 0.3306 0.2278 -0.0045 -0.0633 -0.0096 70 VAL B CG1 2036 C CG2 . VAL B 53 ? 0.3499 0.3293 0.2325 0.0016 -0.0606 -0.0098 70 VAL B CG2 2037 N N . VAL B 54 ? 0.3309 0.3542 0.2369 -0.0094 -0.0677 -0.0141 71 VAL B N 2038 C CA . VAL B 54 ? 0.3371 0.3721 0.2470 -0.0121 -0.0720 -0.0155 71 VAL B CA 2039 C C . VAL B 54 ? 0.3431 0.3680 0.2436 -0.0169 -0.0728 -0.0156 71 VAL B C 2040 O O . VAL B 54 ? 0.3320 0.3508 0.2312 -0.0228 -0.0687 -0.0156 71 VAL B O 2041 C CB . VAL B 54 ? 0.3214 0.3717 0.2446 -0.0170 -0.0701 -0.0166 71 VAL B CB 2042 C CG1 . VAL B 54 ? 0.3202 0.3830 0.2481 -0.0211 -0.0744 -0.0182 71 VAL B CG1 2043 C CG2 . VAL B 54 ? 0.3235 0.3844 0.2553 -0.0114 -0.0694 -0.0166 71 VAL B CG2 2044 N N . LEU B 55 ? 0.3627 0.3853 0.2555 -0.0138 -0.0781 -0.0157 72 LEU B N 2045 C CA . LEU B 55 ? 0.3684 0.3820 0.2512 -0.0176 -0.0796 -0.0160 72 LEU B CA 2046 C C . LEU B 55 ? 0.3805 0.4077 0.2690 -0.0226 -0.0843 -0.0184 72 LEU B C 2047 O O . LEU B 55 ? 0.3717 0.4159 0.2709 -0.0211 -0.0875 -0.0194 72 LEU B O 2048 C CB . LEU B 55 ? 0.3896 0.3930 0.2601 -0.0114 -0.0829 -0.0147 72 LEU B CB 2049 C CG . LEU B 55 ? 0.3920 0.3844 0.2574 -0.0055 -0.0799 -0.0124 72 LEU B CG 2050 C CD1 . LEU B 55 ? 0.3957 0.3761 0.2466 -0.0004 -0.0832 -0.0109 72 LEU B CD1 2051 C CD2 . LEU B 55 ? 0.3840 0.3663 0.2487 -0.0102 -0.0726 -0.0114 72 LEU B CD2 2052 N N . GLY B 56 ? 0.3839 0.4037 0.2654 -0.0286 -0.0844 -0.0195 73 GLY B N 2053 C CA . GLY B 56 ? 0.4036 0.4333 0.2876 -0.0338 -0.0896 -0.0220 73 GLY B CA 2054 C C . GLY B 56 ? 0.3979 0.4409 0.2953 -0.0400 -0.0878 -0.0232 73 GLY B C 2055 O O . GLY B 56 ? 0.4143 0.4719 0.3186 -0.0437 -0.0925 -0.0252 73 GLY B O 2056 N N . ALA B 57 ? 0.3783 0.4168 0.2793 -0.0417 -0.0809 -0.0221 74 ALA B N 2057 C CA . ALA B 57 ? 0.3728 0.4227 0.2857 -0.0477 -0.0785 -0.0229 74 ALA B CA 2058 C C . ALA B 57 ? 0.3630 0.4042 0.2710 -0.0562 -0.0762 -0.0241 74 ALA B C 2059 O O . ALA B 57 ? 0.3779 0.4028 0.2737 -0.0567 -0.0745 -0.0239 74 ALA B O 2060 C CB . ALA B 57 ? 0.3564 0.4091 0.2770 -0.0444 -0.0730 -0.0212 74 ALA B CB 2061 N N . HIS B 58 ? 0.3754 0.4272 0.2922 -0.0631 -0.0760 -0.0253 75 HIS B N 2062 C CA . HIS B 58 ? 0.3789 0.4209 0.2910 -0.0715 -0.0727 -0.0262 75 HIS B CA 2063 C C . HIS B 58 ? 0.3733 0.4227 0.2956 -0.0755 -0.0680 -0.0255 75 HIS B C 2064 O O . HIS B 58 ? 0.3745 0.4126 0.2933 -0.0767 -0.0617 -0.0243 75 HIS B O 2065 C CB . HIS B 58 ? 0.3944 0.4358 0.3010 -0.0785 -0.0782 -0.0291 75 HIS B CB 2066 C CG . HIS B 58 ? 0.4029 0.4299 0.3014 -0.0863 -0.0745 -0.0300 75 HIS B CG 2067 N ND1 . HIS B 58 ? 0.4299 0.4621 0.3325 -0.0958 -0.0753 -0.0318 75 HIS B ND1 2068 C CD2 . HIS B 58 ? 0.4219 0.4291 0.3083 -0.0858 -0.0695 -0.0293 75 HIS B CD2 2069 C CE1 . HIS B 58 ? 0.4413 0.4559 0.3335 -0.1007 -0.0712 -0.0323 75 HIS B CE1 2070 N NE2 . HIS B 58 ? 0.4649 0.4647 0.3474 -0.0942 -0.0675 -0.0308 75 HIS B NE2 2071 N N . ASN B 59 ? 0.3737 0.4423 0.3082 -0.0780 -0.0709 -0.0262 76 ASN B N 2072 C CA . ASN B 59 ? 0.3590 0.4366 0.3039 -0.0821 -0.0666 -0.0254 76 ASN B CA 2073 C C . ASN B 59 ? 0.3516 0.4430 0.3072 -0.0744 -0.0656 -0.0238 76 ASN B C 2074 O O . ASN B 59 ? 0.3315 0.4401 0.2955 -0.0718 -0.0703 -0.0244 76 ASN B O 2075 C CB . ASN B 59 ? 0.3766 0.4663 0.3277 -0.0917 -0.0699 -0.0273 76 ASN B CB 2076 C CG . ASN B 59 ? 0.3729 0.4706 0.3336 -0.0967 -0.0647 -0.0262 76 ASN B CG 2077 O OD1 . ASN B 59 ? 0.3697 0.4722 0.3368 -0.0915 -0.0603 -0.0241 76 ASN B OD1 2078 N ND2 . ASN B 59 ? 0.3866 0.4855 0.3479 -0.1073 -0.0653 -0.0275 76 ASN B ND2 2079 N N . LEU B 60 ? 0.3479 0.4324 0.3030 -0.0704 -0.0597 -0.0219 77 LEU B N 2080 C CA . LEU B 60 ? 0.3688 0.4630 0.3314 -0.0622 -0.0588 -0.0206 77 LEU B CA 2081 C C . LEU B 60 ? 0.3836 0.4980 0.3600 -0.0635 -0.0582 -0.0204 77 LEU B C 2082 O O . LEU B 60 ? 0.3707 0.4956 0.3530 -0.0565 -0.0594 -0.0200 77 LEU B O 2083 C CB . LEU B 60 ? 0.3410 0.4240 0.3002 -0.0578 -0.0529 -0.0188 77 LEU B CB 2084 C CG . LEU B 60 ? 0.3481 0.4125 0.2949 -0.0559 -0.0521 -0.0185 77 LEU B CG 2085 C CD1 . LEU B 60 ? 0.3385 0.3966 0.2849 -0.0518 -0.0466 -0.0167 77 LEU B CD1 2086 C CD2 . LEU B 60 ? 0.3507 0.4144 0.2932 -0.0508 -0.0575 -0.0190 77 LEU B CD2 2087 N N . SER B 61 ? 0.4187 0.5375 0.3993 -0.0723 -0.0561 -0.0206 78 SER B N 2088 C CA . SER B 61 ? 0.4417 0.5804 0.4356 -0.0744 -0.0549 -0.0201 78 SER B CA 2089 C C . SER B 61 ? 0.4971 0.6547 0.4992 -0.0767 -0.0613 -0.0217 78 SER B C 2090 O O . SER B 61 ? 0.5848 0.7581 0.5971 -0.0826 -0.0605 -0.0216 78 SER B O 2091 C CB . SER B 61 ? 0.4388 0.5731 0.4328 -0.0839 -0.0499 -0.0195 78 SER B CB 2092 O OG . SER B 61 ? 0.4192 0.5489 0.4086 -0.0929 -0.0531 -0.0213 78 SER B OG 2093 N N . ARG B 62 ? 0.5099 0.6667 0.5076 -0.0724 -0.0673 -0.0229 79 ARG B N 2094 C CA . ARG B 62 ? 0.5559 0.7287 0.5591 -0.0748 -0.0743 -0.0247 79 ARG B CA 2095 C C . ARG B 62 ? 0.5482 0.7229 0.5484 -0.0641 -0.0796 -0.0249 79 ARG B C 2096 O O . ARG B 62 ? 0.5162 0.6736 0.5056 -0.0585 -0.0790 -0.0244 79 ARG B O 2097 C CB . ARG B 62 ? 0.6207 0.7832 0.6162 -0.0850 -0.0767 -0.0266 79 ARG B CB 2098 C CG . ARG B 62 ? 0.7036 0.8784 0.7011 -0.0876 -0.0850 -0.0288 79 ARG B CG 2099 C CD . ARG B 62 ? 0.7739 0.9337 0.7605 -0.0974 -0.0871 -0.0310 79 ARG B CD 2100 N NE . ARG B 62 ? 0.7792 0.9378 0.7683 -0.1092 -0.0832 -0.0313 79 ARG B NE 2101 C CZ . ARG B 62 ? 0.8586 1.0309 0.8548 -0.1197 -0.0866 -0.0331 79 ARG B CZ 2102 N NH1 . ARG B 62 ? 0.8509 1.0422 0.8537 -0.1200 -0.0946 -0.0349 79 ARG B NH1 2103 N NH2 . ARG B 62 ? 0.8991 1.0660 0.8955 -0.1304 -0.0819 -0.0329 79 ARG B NH2 2104 N N . ARG B 63 ? 0.5548 0.7515 0.5650 -0.0615 -0.0847 -0.0255 80 ARG B N 2105 C CA . ARG B 63 ? 0.5622 0.7641 0.5707 -0.0511 -0.0903 -0.0257 80 ARG B CA 2106 C C . ARG B 63 ? 0.5234 0.7153 0.5212 -0.0550 -0.0963 -0.0275 80 ARG B C 2107 O O . ARG B 63 ? 0.5300 0.7282 0.5300 -0.0648 -0.0995 -0.0293 80 ARG B O 2108 C CB . ARG B 63 ? 0.6398 0.8711 0.6641 -0.0477 -0.0928 -0.0256 80 ARG B CB 2109 C CG . ARG B 63 ? 0.7313 0.9758 0.7573 -0.0376 -0.1000 -0.0259 80 ARG B CG 2110 C CD . ARG B 63 ? 0.8000 1.0761 0.8421 -0.0405 -0.1043 -0.0268 80 ARG B CD 2111 N NE . ARG B 63 ? 0.8586 1.1404 0.8983 -0.0444 -0.1128 -0.0288 80 ARG B NE 2112 C CZ . ARG B 63 ? 0.9249 1.1990 0.9598 -0.0568 -0.1149 -0.0308 80 ARG B CZ 2113 N NH1 . ARG B 63 ? 0.9387 1.1987 0.9706 -0.0671 -0.1089 -0.0308 80 ARG B NH1 2114 N NH2 . ARG B 63 ? 0.9318 1.2122 0.9641 -0.0589 -0.1233 -0.0328 80 ARG B NH2 2115 N N . GLU B 64 ? 0.4684 0.6424 0.4533 -0.0482 -0.0973 -0.0270 81 GLU B N 2116 C CA . GLU B 64 ? 0.4451 0.6060 0.4175 -0.0515 -0.1017 -0.0284 81 GLU B CA 2117 C C . GLU B 64 ? 0.4763 0.6383 0.4431 -0.0407 -0.1076 -0.0281 81 GLU B C 2118 O O . GLU B 64 ? 0.4657 0.6153 0.4257 -0.0323 -0.1051 -0.0263 81 GLU B O 2119 C CB . GLU B 64 ? 0.4184 0.5529 0.3777 -0.0542 -0.0961 -0.0278 81 GLU B CB 2120 C CG . GLU B 64 ? 0.3781 0.5070 0.3388 -0.0648 -0.0908 -0.0282 81 GLU B CG 2121 C CD . GLU B 64 ? 0.3643 0.4679 0.3112 -0.0660 -0.0861 -0.0276 81 GLU B CD 2122 O OE1 . GLU B 64 ? 0.3497 0.4424 0.2915 -0.0584 -0.0827 -0.0257 81 GLU B OE1 2123 O OE2 . GLU B 64 ? 0.3349 0.4287 0.2754 -0.0743 -0.0855 -0.0289 81 GLU B OE2 2124 N N . PRO B 65 ? 0.5195 0.6967 0.4892 -0.0409 -0.1155 -0.0297 82 PRO B N 2125 C CA . PRO B 65 ? 0.5052 0.6811 0.4671 -0.0307 -0.1216 -0.0292 82 PRO B CA 2126 C C . PRO B 65 ? 0.5082 0.6578 0.4512 -0.0285 -0.1215 -0.0287 82 PRO B C 2127 O O . PRO B 65 ? 0.5003 0.6451 0.4359 -0.0185 -0.1242 -0.0275 82 PRO B O 2128 C CB . PRO B 65 ? 0.5487 0.7456 0.5170 -0.0346 -0.1301 -0.0316 82 PRO B CB 2129 C CG . PRO B 65 ? 0.5356 0.7389 0.5118 -0.0490 -0.1282 -0.0334 82 PRO B CG 2130 C CD . PRO B 65 ? 0.5240 0.7242 0.5067 -0.0494 -0.1193 -0.0316 82 PRO B CD 2131 N N . THR B 66 ? 0.4901 0.6222 0.4246 -0.0370 -0.1180 -0.0295 83 THR B N 2132 C CA . THR B 66 ? 0.4901 0.5973 0.4067 -0.0341 -0.1168 -0.0286 83 THR B CA 2133 C C . THR B 66 ? 0.4804 0.5729 0.3922 -0.0266 -0.1104 -0.0257 83 THR B C 2134 O O . THR B 66 ? 0.4550 0.5286 0.3529 -0.0236 -0.1093 -0.0246 83 THR B O 2135 C CB . THR B 66 ? 0.5149 0.6070 0.4237 -0.0443 -0.1137 -0.0300 83 THR B CB 2136 O OG1 . THR B 66 ? 0.4818 0.5721 0.3978 -0.0492 -0.1062 -0.0293 83 THR B OG1 2137 C CG2 . THR B 66 ? 0.5198 0.6223 0.4302 -0.0532 -0.1203 -0.0333 83 THR B CG2 2138 N N . ARG B 67 ? 0.4464 0.5476 0.3696 -0.0242 -0.1062 -0.0246 84 ARG B N 2139 C CA . ARG B 67 ? 0.4448 0.5331 0.3644 -0.0183 -0.1003 -0.0223 84 ARG B CA 2140 C C . ARG B 67 ? 0.4584 0.5439 0.3724 -0.0070 -0.1030 -0.0208 84 ARG B C 2141 O O . ARG B 67 ? 0.4889 0.5895 0.4077 -0.0017 -0.1086 -0.0212 84 ARG B O 2142 C CB . ARG B 67 ? 0.4314 0.5301 0.3641 -0.0191 -0.0954 -0.0220 84 ARG B CB 2143 C CG . ARG B 67 ? 0.4364 0.5324 0.3723 -0.0293 -0.0907 -0.0227 84 ARG B CG 2144 C CD . ARG B 67 ? 0.4514 0.5568 0.3989 -0.0292 -0.0857 -0.0220 84 ARG B CD 2145 N NE . ARG B 67 ? 0.4572 0.5629 0.4082 -0.0392 -0.0825 -0.0228 84 ARG B NE 2146 C CZ . ARG B 67 ? 0.4732 0.5857 0.4332 -0.0419 -0.0778 -0.0223 84 ARG B CZ 2147 N NH1 . ARG B 67 ? 0.5444 0.6635 0.5104 -0.0351 -0.0757 -0.0213 84 ARG B NH1 2148 N NH2 . ARG B 67 ? 0.4659 0.5770 0.4276 -0.0510 -0.0749 -0.0229 84 ARG B NH2 2149 N N . GLN B 68 ? 0.4441 0.5102 0.3475 -0.0035 -0.0991 -0.0190 85 GLN B N 2150 C CA . GLN B 68 ? 0.4398 0.4990 0.3367 0.0065 -0.1000 -0.0172 85 GLN B CA 2151 C C . GLN B 68 ? 0.4390 0.4904 0.3382 0.0071 -0.0930 -0.0160 85 GLN B C 2152 O O . GLN B 68 ? 0.3969 0.4371 0.2934 0.0008 -0.0879 -0.0157 85 GLN B O 2153 C CB . GLN B 68 ? 0.4515 0.4922 0.3314 0.0088 -0.1017 -0.0159 85 GLN B CB 2154 C CG . GLN B 68 ? 0.4623 0.5083 0.3365 0.0110 -0.1095 -0.0167 85 GLN B CG 2155 C CD . GLN B 68 ? 0.4696 0.4954 0.3259 0.0111 -0.1100 -0.0156 85 GLN B CD 2156 O OE1 . GLN B 68 ? 0.4962 0.5066 0.3414 0.0174 -0.1084 -0.0131 85 GLN B OE1 2157 N NE2 . GLN B 68 ? 0.4742 0.4992 0.3266 0.0044 -0.1121 -0.0172 85 GLN B NE2 2158 N N . VAL B 69 ? 0.4370 0.4945 0.3408 0.0148 -0.0931 -0.0155 86 VAL B N 2159 C CA . VAL B 69 ? 0.4472 0.4991 0.3534 0.0159 -0.0875 -0.0149 86 VAL B CA 2160 C C . VAL B 69 ? 0.4598 0.4948 0.3539 0.0240 -0.0872 -0.0132 86 VAL B C 2161 O O . VAL B 69 ? 0.4714 0.5077 0.3608 0.0321 -0.0917 -0.0127 86 VAL B O 2162 C CB . VAL B 69 ? 0.4568 0.5284 0.3778 0.0173 -0.0868 -0.0160 86 VAL B CB 2163 C CG1 . VAL B 69 ? 0.4714 0.5364 0.3940 0.0180 -0.0809 -0.0156 86 VAL B CG1 2164 C CG2 . VAL B 69 ? 0.4605 0.5465 0.3922 0.0080 -0.0865 -0.0174 86 VAL B CG2 2165 N N . PHE B 70 ? 0.4508 0.4697 0.3393 0.0213 -0.0819 -0.0122 87 PHE B N 2166 C CA . PHE B 70 ? 0.4453 0.4461 0.3223 0.0270 -0.0804 -0.0106 87 PHE B CA 2167 C C . PHE B 70 ? 0.4230 0.4204 0.3041 0.0259 -0.0753 -0.0109 87 PHE B C 2168 O O . PHE B 70 ? 0.3921 0.3987 0.2834 0.0202 -0.0723 -0.0120 87 PHE B O 2169 C CB . PHE B 70 ? 0.4598 0.4418 0.3228 0.0243 -0.0796 -0.0088 87 PHE B CB 2170 C CG . PHE B 70 ? 0.4655 0.4490 0.3220 0.0270 -0.0852 -0.0085 87 PHE B CG 2171 C CD1 . PHE B 70 ? 0.4590 0.4506 0.3190 0.0207 -0.0868 -0.0096 87 PHE B CD1 2172 C CD2 . PHE B 70 ? 0.4886 0.4653 0.3350 0.0360 -0.0891 -0.0072 87 PHE B CD2 2173 C CE1 . PHE B 70 ? 0.4750 0.4692 0.3292 0.0229 -0.0926 -0.0097 87 PHE B CE1 2174 C CE2 . PHE B 70 ? 0.4936 0.4728 0.3337 0.0390 -0.0949 -0.0069 87 PHE B CE2 2175 C CZ . PHE B 70 ? 0.4905 0.4786 0.3346 0.0322 -0.0968 -0.0083 87 PHE B CZ 2176 N N . ALA B 71 ? 0.4405 0.4265 0.3139 0.0324 -0.0751 -0.0102 88 ALA B N 2177 C CA . ALA B 71 ? 0.4317 0.4104 0.3055 0.0316 -0.0708 -0.0106 88 ALA B CA 2178 C C . ALA B 71 ? 0.4260 0.3851 0.2892 0.0266 -0.0677 -0.0090 88 ALA B C 2179 O O . ALA B 71 ? 0.4225 0.3736 0.2774 0.0256 -0.0689 -0.0074 88 ALA B O 2180 C CB . ALA B 71 ? 0.4395 0.4156 0.3097 0.0415 -0.0724 -0.0111 88 ALA B CB 2181 N N . VAL B 72 ? 0.4331 0.3855 0.2969 0.0232 -0.0636 -0.0093 89 VAL B N 2182 C CA . VAL B 72 ? 0.4502 0.3859 0.3055 0.0176 -0.0601 -0.0077 89 VAL B CA 2183 C C . VAL B 72 ? 0.4680 0.3864 0.3110 0.0230 -0.0607 -0.0069 89 VAL B C 2184 O O . VAL B 72 ? 0.4487 0.3663 0.2925 0.0268 -0.0608 -0.0083 89 VAL B O 2185 C CB . VAL B 72 ? 0.4444 0.3834 0.3076 0.0104 -0.0554 -0.0085 89 VAL B CB 2186 C CG1 . VAL B 72 ? 0.4505 0.3743 0.3061 0.0049 -0.0518 -0.0068 89 VAL B CG1 2187 C CG2 . VAL B 72 ? 0.4383 0.3927 0.3126 0.0056 -0.0544 -0.0092 89 VAL B CG2 2188 N N . GLN B 73 ? 0.4991 0.4025 0.3296 0.0234 -0.0611 -0.0046 90 GLN B N 2189 C CA . GLN B 73 ? 0.5242 0.4080 0.3411 0.0275 -0.0611 -0.0036 90 GLN B CA 2190 C C . GLN B 73 ? 0.5152 0.3861 0.3288 0.0200 -0.0564 -0.0032 90 GLN B C 2191 O O . GLN B 73 ? 0.5136 0.3731 0.3209 0.0222 -0.0561 -0.0037 90 GLN B O 2192 C CB . GLN B 73 ? 0.5647 0.4365 0.3682 0.0310 -0.0632 -0.0009 90 GLN B CB 2193 C CG . GLN B 73 ? 0.6078 0.4610 0.3967 0.0384 -0.0646 0.0000 90 GLN B CG 2194 C CD . GLN B 73 ? 0.6577 0.5048 0.4357 0.0440 -0.0679 0.0023 90 GLN B CD 2195 O OE1 . GLN B 73 ? 0.7213 0.5549 0.4894 0.0398 -0.0658 0.0049 90 GLN B OE1 2196 N NE2 . GLN B 73 ? 0.6499 0.5098 0.4312 0.0526 -0.0730 0.0015 90 GLN B NE2 2197 N N . ARG B 74 ? 0.5001 0.3725 0.3172 0.0113 -0.0529 -0.0021 91 ARG B N 2198 C CA . ARG B 74 ? 0.5009 0.3671 0.3189 0.0037 -0.0485 -0.0021 91 ARG B CA 2199 C C . ARG B 74 ? 0.4619 0.3383 0.2886 -0.0037 -0.0453 -0.0016 91 ARG B C 2200 O O . ARG B 74 ? 0.4255 0.3109 0.2553 -0.0029 -0.0465 -0.0012 91 ARG B O 2201 C CB . ARG B 74 ? 0.5572 0.4012 0.3602 0.0020 -0.0469 0.0001 91 ARG B CB 2202 C CG . ARG B 74 ? 0.5879 0.4252 0.3824 0.0016 -0.0465 0.0032 91 ARG B CG 2203 C CD . ARG B 74 ? 0.6401 0.4546 0.4185 0.0013 -0.0452 0.0057 91 ARG B CD 2204 N NE . ARG B 74 ? 0.6914 0.4982 0.4693 -0.0081 -0.0403 0.0066 91 ARG B NE 2205 C CZ . ARG B 74 ? 0.7613 0.5477 0.5249 -0.0107 -0.0381 0.0095 91 ARG B CZ 2206 N NH1 . ARG B 74 ? 0.7092 0.4800 0.4572 -0.0038 -0.0402 0.0118 91 ARG B NH1 2207 N NH2 . ARG B 74 ? 0.7426 0.5243 0.5073 -0.0203 -0.0335 0.0102 91 ARG B NH2 2208 N N . ILE B 75 ? 0.4481 0.3250 0.2795 -0.0105 -0.0416 -0.0020 92 ILE B N 2209 C CA . ILE B 75 ? 0.4590 0.3449 0.2978 -0.0171 -0.0381 -0.0011 92 ILE B CA 2210 C C . ILE B 75 ? 0.4431 0.3169 0.2751 -0.0235 -0.0341 0.0011 92 ILE B C 2211 O O . ILE B 75 ? 0.4427 0.3048 0.2685 -0.0245 -0.0339 0.0012 92 ILE B O 2212 C CB . ILE B 75 ? 0.4986 0.3998 0.3510 -0.0196 -0.0369 -0.0034 92 ILE B CB 2213 C CG1 . ILE B 75 ? 0.5681 0.4647 0.4211 -0.0240 -0.0349 -0.0041 92 ILE B CG1 2214 C CG2 . ILE B 75 ? 0.4981 0.4114 0.3575 -0.0136 -0.0404 -0.0058 92 ILE B CG2 2215 C CD1 . ILE B 75 ? 0.6087 0.5199 0.4740 -0.0260 -0.0338 -0.0062 92 ILE B CD1 2216 N N . PHE B 76 ? 0.4093 0.2864 0.2425 -0.0277 -0.0308 0.0031 93 PHE B N 2217 C CA . PHE B 76 ? 0.4044 0.2747 0.2341 -0.0344 -0.0262 0.0055 93 PHE B CA 2218 C C . PHE B 76 ? 0.3860 0.2708 0.2279 -0.0393 -0.0228 0.0049 93 PHE B C 2219 O O . PHE B 76 ? 0.3375 0.2332 0.1854 -0.0379 -0.0227 0.0045 93 PHE B O 2220 C CB . PHE B 76 ? 0.4207 0.2820 0.2398 -0.0339 -0.0248 0.0086 93 PHE B CB 2221 C CG . PHE B 76 ? 0.4345 0.2794 0.2394 -0.0288 -0.0278 0.0098 93 PHE B CG 2222 C CD1 . PHE B 76 ? 0.4330 0.2793 0.2351 -0.0211 -0.0329 0.0088 93 PHE B CD1 2223 C CD2 . PHE B 76 ? 0.4411 0.2695 0.2357 -0.0319 -0.0257 0.0120 93 PHE B CD2 2224 C CE1 . PHE B 76 ? 0.4438 0.2758 0.2328 -0.0155 -0.0358 0.0100 93 PHE B CE1 2225 C CE2 . PHE B 76 ? 0.4600 0.2724 0.2408 -0.0269 -0.0282 0.0132 93 PHE B CE2 2226 C CZ . PHE B 76 ? 0.4619 0.2757 0.2392 -0.0182 -0.0333 0.0124 93 PHE B CZ 2227 N N . GLU B 77 ? 0.3907 0.2753 0.2357 -0.0452 -0.0200 0.0051 94 GLU B N 2228 C CA . GLU B 77 ? 0.4188 0.3178 0.2754 -0.0494 -0.0168 0.0047 94 GLU B CA 2229 C C . GLU B 77 ? 0.4038 0.2998 0.2583 -0.0559 -0.0118 0.0077 94 GLU B C 2230 O O . GLU B 77 ? 0.3972 0.2796 0.2417 -0.0579 -0.0107 0.0097 94 GLU B O 2231 C CB . GLU B 77 ? 0.4454 0.3504 0.3095 -0.0508 -0.0184 0.0019 94 GLU B CB 2232 C CG . GLU B 77 ? 0.5025 0.4065 0.3661 -0.0445 -0.0233 -0.0008 94 GLU B CG 2233 C CD . GLU B 77 ? 0.5602 0.4668 0.4284 -0.0460 -0.0246 -0.0036 94 GLU B CD 2234 O OE1 . GLU B 77 ? 0.5503 0.4672 0.4269 -0.0504 -0.0226 -0.0041 94 GLU B OE1 2235 O OE2 . GLU B 77 ? 0.6746 0.5722 0.5369 -0.0425 -0.0277 -0.0053 94 GLU B OE2 2236 N N . ASN B 78 ? 0.3341 0.2432 0.1976 -0.0592 -0.0079 0.0084 96 ASN B N 2237 C CA . ASN B 78 ? 0.3506 0.2619 0.2147 -0.0643 -0.0026 0.0112 96 ASN B CA 2238 C C . ASN B 78 ? 0.3275 0.2543 0.2036 -0.0681 0.0000 0.0108 96 ASN B C 2239 O O . ASN B 78 ? 0.3139 0.2487 0.1933 -0.0683 0.0039 0.0126 96 ASN B O 2240 C CB . ASN B 78 ? 0.3723 0.2821 0.2309 -0.0611 -0.0004 0.0134 96 ASN B CB 2241 C CG . ASN B 78 ? 0.3827 0.2891 0.2368 -0.0655 0.0052 0.0170 96 ASN B CG 2242 O OD1 . ASN B 78 ? 0.4229 0.3320 0.2750 -0.0636 0.0084 0.0187 96 ASN B OD1 2243 N ND2 . ASN B 78 ? 0.3899 0.2907 0.2420 -0.0711 0.0068 0.0183 96 ASN B ND2 2244 N N . GLY B 79 ? 0.3192 0.2489 0.2006 -0.0712 -0.0020 0.0087 97 GLY B N 2245 C CA . GLY B 79 ? 0.3141 0.2587 0.2068 -0.0760 0.0000 0.0083 97 GLY B CA 2246 C C . GLY B 79 ? 0.2989 0.2584 0.2006 -0.0713 0.0000 0.0072 97 GLY B C 2247 O O . GLY B 79 ? 0.3017 0.2737 0.2106 -0.0725 0.0034 0.0084 97 GLY B O 2248 N N . TYR B 80 ? 0.2817 0.2393 0.1822 -0.0654 -0.0036 0.0051 98 TYR B N 2249 C CA . TYR B 80 ? 0.2774 0.2473 0.1856 -0.0612 -0.0043 0.0037 98 TYR B CA 2250 C C . TYR B 80 ? 0.2701 0.2529 0.1880 -0.0643 -0.0037 0.0027 98 TYR B C 2251 O O . TYR B 80 ? 0.2716 0.2524 0.1900 -0.0673 -0.0060 0.0010 98 TYR B O 2252 C CB . TYR B 80 ? 0.2702 0.2362 0.1765 -0.0564 -0.0089 0.0011 98 TYR B CB 2253 C CG . TYR B 80 ? 0.2614 0.2389 0.1752 -0.0527 -0.0097 -0.0003 98 TYR B CG 2254 C CD1 . TYR B 80 ? 0.2619 0.2466 0.1787 -0.0510 -0.0067 0.0010 98 TYR B CD1 2255 C CD2 . TYR B 80 ? 0.2583 0.2380 0.1748 -0.0506 -0.0132 -0.0031 98 TYR B CD2 2256 C CE1 . TYR B 80 ? 0.2554 0.2487 0.1776 -0.0476 -0.0072 -0.0001 98 TYR B CE1 2257 C CE2 . TYR B 80 ? 0.2555 0.2447 0.1777 -0.0469 -0.0136 -0.0041 98 TYR B CE2 2258 C CZ . TYR B 80 ? 0.2470 0.2430 0.1722 -0.0459 -0.0105 -0.0025 98 TYR B CZ 2259 O OH . TYR B 80 ? 0.2474 0.2516 0.1774 -0.0427 -0.0102 -0.0031 98 TYR B OH 2260 N N . ASP B 81 ? 0.2703 0.2655 0.1948 -0.0634 -0.0006 0.0039 99 ASP B N 2261 C CA . ASP B 81 ? 0.2738 0.2829 0.2077 -0.0658 -0.0003 0.0032 99 ASP B CA 2262 C C . ASP B 81 ? 0.2591 0.2789 0.1984 -0.0601 0.0000 0.0028 99 ASP B C 2263 O O . ASP B 81 ? 0.2536 0.2806 0.1954 -0.0581 0.0036 0.0048 99 ASP B O 2264 C CB . ASP B 81 ? 0.2888 0.3044 0.2260 -0.0712 0.0037 0.0057 99 ASP B CB 2265 C CG . ASP B 81 ? 0.3023 0.3352 0.2504 -0.0734 0.0036 0.0050 99 ASP B CG 2266 O OD1 . ASP B 81 ? 0.2876 0.3273 0.2400 -0.0699 0.0008 0.0028 99 ASP B OD1 2267 O OD2 . ASP B 81 ? 0.3206 0.3614 0.2729 -0.0778 0.0069 0.0070 99 ASP B OD2 2268 N N . PRO B 82 ? 0.2596 0.2788 0.1994 -0.0570 -0.0037 0.0002 100 PRO B N 2269 C CA . PRO B 82 ? 0.2493 0.2749 0.1918 -0.0514 -0.0031 0.0002 100 PRO B CA 2270 C C . PRO B 82 ? 0.2436 0.2835 0.1934 -0.0504 -0.0006 0.0012 100 PRO B C 2271 O O . PRO B 82 ? 0.2278 0.2712 0.1778 -0.0462 0.0020 0.0027 100 PRO B O 2272 C CB . PRO B 82 ? 0.2409 0.2644 0.1832 -0.0492 -0.0072 -0.0025 100 PRO B CB 2273 C CG . PRO B 82 ? 0.2474 0.2655 0.1880 -0.0533 -0.0101 -0.0043 100 PRO B CG 2274 C CD . PRO B 82 ? 0.2647 0.2755 0.2010 -0.0577 -0.0081 -0.0023 100 PRO B CD 2275 N N . VAL B 83 ? 0.2551 0.3027 0.2101 -0.0542 -0.0018 0.0004 101 VAL B N 2276 C CA . VAL B 83 ? 0.2611 0.3245 0.2237 -0.0525 -0.0001 0.0013 101 VAL B CA 2277 C C . VAL B 83 ? 0.2498 0.3173 0.2131 -0.0520 0.0049 0.0045 101 VAL B C 2278 O O . VAL B 83 ? 0.2417 0.3178 0.2076 -0.0472 0.0076 0.0061 101 VAL B O 2279 C CB . VAL B 83 ? 0.2661 0.3378 0.2343 -0.0574 -0.0028 -0.0004 101 VAL B CB 2280 C CG1 . VAL B 83 ? 0.2607 0.3498 0.2368 -0.0558 -0.0014 0.0006 101 VAL B CG1 2281 C CG2 . VAL B 83 ? 0.2755 0.3421 0.2416 -0.0570 -0.0076 -0.0038 101 VAL B CG2 2282 N N . ASN B 84 ? 0.2520 0.3126 0.2119 -0.0565 0.0065 0.0058 102 ASN B N 2283 C CA . ASN B 84 ? 0.2519 0.3161 0.2116 -0.0555 0.0118 0.0090 102 ASN B CA 2284 C C . ASN B 84 ? 0.2483 0.3006 0.1993 -0.0512 0.0139 0.0101 102 ASN B C 2285 O O . ASN B 84 ? 0.2385 0.2921 0.1876 -0.0497 0.0186 0.0127 102 ASN B O 2286 C CB . ASN B 84 ? 0.2725 0.3394 0.2343 -0.0624 0.0138 0.0104 102 ASN B CB 2287 C CG . ASN B 84 ? 0.2936 0.3749 0.2649 -0.0670 0.0121 0.0094 102 ASN B CG 2288 O OD1 . ASN B 84 ? 0.2993 0.3959 0.2778 -0.0641 0.0129 0.0099 102 ASN B OD1 2289 N ND2 . ASN B 84 ? 0.3152 0.3908 0.2856 -0.0737 0.0089 0.0076 102 ASN B ND2 2290 N N . LEU B 85 ? 0.2291 0.2713 0.1752 -0.0491 0.0105 0.0081 103 LEU B N 2291 C CA . LEU B 85 ? 0.2328 0.2643 0.1710 -0.0454 0.0114 0.0085 103 LEU B CA 2292 C C . LEU B 85 ? 0.2367 0.2583 0.1675 -0.0477 0.0136 0.0102 103 LEU B C 2293 O O . LEU B 85 ? 0.2439 0.2602 0.1688 -0.0448 0.0161 0.0114 103 LEU B O 2294 C CB . LEU B 85 ? 0.2372 0.2738 0.1757 -0.0400 0.0146 0.0098 103 LEU B CB 2295 C CG . LEU B 85 ? 0.2358 0.2812 0.1800 -0.0367 0.0131 0.0087 103 LEU B CG 2296 C CD1 . LEU B 85 ? 0.2417 0.2929 0.1861 -0.0312 0.0171 0.0105 103 LEU B CD1 2297 C CD2 . LEU B 85 ? 0.2377 0.2758 0.1791 -0.0357 0.0094 0.0065 103 LEU B CD2 2298 N N . LEU B 86 ? 0.2381 0.2560 0.1684 -0.0529 0.0123 0.0101 104 LEU B N 2299 C CA . LEU B 86 ? 0.2517 0.2600 0.1748 -0.0556 0.0142 0.0119 104 LEU B CA 2300 C C . LEU B 86 ? 0.2495 0.2437 0.1652 -0.0562 0.0099 0.0104 104 LEU B C 2301 O O . LEU B 86 ? 0.2290 0.2223 0.1468 -0.0570 0.0058 0.0081 104 LEU B O 2302 C CB . LEU B 86 ? 0.2572 0.2717 0.1849 -0.0618 0.0166 0.0135 104 LEU B CB 2303 C CG . LEU B 86 ? 0.2541 0.2848 0.1899 -0.0615 0.0211 0.0154 104 LEU B CG 2304 C CD1 . LEU B 86 ? 0.2677 0.3042 0.2083 -0.0691 0.0226 0.0166 104 LEU B CD1 2305 C CD2 . LEU B 86 ? 0.2671 0.2954 0.1973 -0.0572 0.0260 0.0178 104 LEU B CD2 2306 N N . ASN B 87 ? 0.2605 0.2440 0.1669 -0.0556 0.0113 0.0119 105 ASN B N 2307 C CA . ASN B 87 ? 0.2690 0.2385 0.1669 -0.0561 0.0077 0.0111 105 ASN B CA 2308 C C . ASN B 87 ? 0.2589 0.2262 0.1570 -0.0526 0.0024 0.0082 105 ASN B C 2309 O O . ASN B 87 ? 0.2619 0.2236 0.1583 -0.0533 -0.0013 0.0068 105 ASN B O 2310 C CB . ASN B 87 ? 0.2924 0.2569 0.1890 -0.0614 0.0073 0.0117 105 ASN B CB 2311 C CG . ASN B 87 ? 0.3253 0.2937 0.2231 -0.0661 0.0129 0.0147 105 ASN B CG 2312 O OD1 . ASN B 87 ? 0.3309 0.3004 0.2260 -0.0646 0.0170 0.0169 105 ASN B OD1 2313 N ND2 . ASN B 87 ? 0.3575 0.3301 0.2606 -0.0719 0.0130 0.0146 105 ASN B ND2 2314 N N . ASP B 88 ? 0.2473 0.2190 0.1472 -0.0489 0.0023 0.0074 106 ASP B N 2315 C CA . ASP B 88 ? 0.2397 0.2111 0.1406 -0.0459 -0.0020 0.0049 106 ASP B CA 2316 C C . ASP B 88 ? 0.2414 0.2023 0.1332 -0.0439 -0.0046 0.0047 106 ASP B C 2317 O O . ASP B 88 ? 0.2368 0.1973 0.1265 -0.0416 -0.0053 0.0041 106 ASP B O 2318 C CB . ASP B 88 ? 0.2241 0.2046 0.1306 -0.0435 -0.0006 0.0044 106 ASP B CB 2319 C CG . ASP B 88 ? 0.2152 0.1982 0.1249 -0.0412 -0.0045 0.0020 106 ASP B CG 2320 O OD1 . ASP B 88 ? 0.2063 0.1860 0.1152 -0.0412 -0.0081 0.0007 106 ASP B OD1 2321 O OD2 . ASP B 88 ? 0.2078 0.1954 0.1199 -0.0393 -0.0034 0.0018 106 ASP B OD2 2322 N N . ILE B 89 ? 0.2546 0.2070 0.1411 -0.0449 -0.0065 0.0050 107 ILE B N 2323 C CA . ILE B 89 ? 0.2684 0.2102 0.1450 -0.0428 -0.0093 0.0052 107 ILE B CA 2324 C C . ILE B 89 ? 0.2728 0.2085 0.1471 -0.0424 -0.0131 0.0043 107 ILE B C 2325 O O . ILE B 89 ? 0.2739 0.2081 0.1496 -0.0451 -0.0122 0.0046 107 ILE B O 2326 C CB . ILE B 89 ? 0.2758 0.2099 0.1437 -0.0441 -0.0055 0.0079 107 ILE B CB 2327 C CG1 . ILE B 89 ? 0.2934 0.2176 0.1510 -0.0413 -0.0089 0.0078 107 ILE B CG1 2328 C CG2 . ILE B 89 ? 0.2811 0.2119 0.1480 -0.0483 -0.0024 0.0100 107 ILE B CG2 2329 C CD1 . ILE B 89 ? 0.3049 0.2214 0.1527 -0.0416 -0.0055 0.0102 107 ILE B CD1 2330 N N . VAL B 90 ? 0.2798 0.2122 0.1506 -0.0387 -0.0174 0.0030 108 VAL B N 2331 C CA . VAL B 90 ? 0.2978 0.2223 0.1637 -0.0367 -0.0210 0.0025 108 VAL B CA 2332 C C . VAL B 90 ? 0.3115 0.2292 0.1686 -0.0331 -0.0241 0.0029 108 VAL B C 2333 O O . VAL B 90 ? 0.3265 0.2488 0.1842 -0.0321 -0.0246 0.0024 108 VAL B O 2334 C CB . VAL B 90 ? 0.3124 0.2449 0.1863 -0.0345 -0.0241 -0.0001 108 VAL B CB 2335 C CG1 . VAL B 90 ? 0.2957 0.2378 0.1750 -0.0317 -0.0262 -0.0017 108 VAL B CG1 2336 C CG2 . VAL B 90 ? 0.3448 0.2695 0.2136 -0.0313 -0.0278 -0.0010 108 VAL B CG2 2337 N N . ILE B 91 ? 0.3174 0.2241 0.1657 -0.0310 -0.0263 0.0037 109 ILE B N 2338 C CA . ILE B 91 ? 0.3302 0.2321 0.1709 -0.0261 -0.0306 0.0036 109 ILE B CA 2339 C C . ILE B 91 ? 0.3369 0.2389 0.1785 -0.0215 -0.0351 0.0019 109 ILE B C 2340 O O . ILE B 91 ? 0.3472 0.2433 0.1874 -0.0219 -0.0346 0.0020 109 ILE B O 2341 C CB . ILE B 91 ? 0.3473 0.2347 0.1744 -0.0265 -0.0291 0.0066 109 ILE B CB 2342 C CG1 . ILE B 91 ? 0.3479 0.2367 0.1737 -0.0297 -0.0251 0.0079 109 ILE B CG1 2343 C CG2 . ILE B 91 ? 0.3580 0.2377 0.1750 -0.0209 -0.0338 0.0069 109 ILE B CG2 2344 C CD1 . ILE B 91 ? 0.3617 0.2377 0.1752 -0.0310 -0.0220 0.0112 109 ILE B CD1 2345 N N . LEU B 92 ? 0.3396 0.2488 0.1834 -0.0172 -0.0393 0.0004 110 LEU B N 2346 C CA . LEU B 92 ? 0.3563 0.2672 0.2007 -0.0114 -0.0438 -0.0010 110 LEU B CA 2347 C C . LEU B 92 ? 0.3688 0.2716 0.2021 -0.0064 -0.0476 0.0001 110 LEU B C 2348 O O . LEU B 92 ? 0.3662 0.2722 0.1977 -0.0064 -0.0491 0.0003 110 LEU B O 2349 C CB . LEU B 92 ? 0.3539 0.2817 0.2104 -0.0101 -0.0459 -0.0035 110 LEU B CB 2350 C CG . LEU B 92 ? 0.3661 0.3032 0.2332 -0.0148 -0.0422 -0.0044 110 LEU B CG 2351 C CD1 . LEU B 92 ? 0.3759 0.3280 0.2533 -0.0131 -0.0443 -0.0066 110 LEU B CD1 2352 C CD2 . LEU B 92 ? 0.3793 0.3115 0.2468 -0.0159 -0.0401 -0.0045 110 LEU B CD2 2353 N N . GLN B 93 ? 0.3812 0.2731 0.2065 -0.0020 -0.0492 0.0008 111 GLN B N 2354 C CA . GLN B 93 ? 0.4204 0.3041 0.2345 0.0040 -0.0531 0.0020 111 GLN B CA 2355 C C . GLN B 93 ? 0.4288 0.3248 0.2491 0.0110 -0.0583 -0.0001 111 GLN B C 2356 O O . GLN B 93 ? 0.4341 0.3340 0.2602 0.0132 -0.0585 -0.0017 111 GLN B O 2357 C CB . GLN B 93 ? 0.4490 0.3137 0.2504 0.0056 -0.0519 0.0040 111 GLN B CB 2358 C CG . GLN B 93 ? 0.4866 0.3413 0.2745 0.0130 -0.0560 0.0058 111 GLN B CG 2359 C CD . GLN B 93 ? 0.5206 0.3540 0.2939 0.0149 -0.0547 0.0081 111 GLN B CD 2360 O OE1 . GLN B 93 ? 0.5008 0.3246 0.2720 0.0089 -0.0502 0.0091 111 GLN B OE1 2361 N NE2 . GLN B 93 ? 0.5596 0.3856 0.3224 0.0232 -0.0588 0.0091 111 GLN B NE2 2362 N N . LEU B 94 ? 0.4302 0.3333 0.2499 0.0140 -0.0625 -0.0003 112 LEU B N 2363 C CA . LEU B 94 ? 0.4394 0.3562 0.2653 0.0205 -0.0677 -0.0022 112 LEU B CA 2364 C C . LEU B 94 ? 0.4700 0.3779 0.2861 0.0299 -0.0712 -0.0012 112 LEU B C 2365 O O . LEU B 94 ? 0.4850 0.3751 0.2871 0.0316 -0.0705 0.0010 112 LEU B O 2366 C CB . LEU B 94 ? 0.4375 0.3637 0.2647 0.0195 -0.0710 -0.0026 112 LEU B CB 2367 C CG . LEU B 94 ? 0.4327 0.3651 0.2669 0.0107 -0.0677 -0.0034 112 LEU B CG 2368 C CD1 . LEU B 94 ? 0.4204 0.3640 0.2571 0.0103 -0.0722 -0.0048 112 LEU B CD1 2369 C CD2 . LEU B 94 ? 0.4116 0.3541 0.2591 0.0071 -0.0645 -0.0050 112 LEU B CD2 2370 N N . ASN B 95 ? 0.5050 0.4257 0.3283 0.0364 -0.0747 -0.0030 113 ASN B N 2371 C CA . ASN B 95 ? 0.5398 0.4555 0.3552 0.0472 -0.0785 -0.0024 113 ASN B CA 2372 C C . ASN B 95 ? 0.5665 0.4855 0.3760 0.0531 -0.0841 -0.0015 113 ASN B C 2373 O O . ASN B 95 ? 0.6435 0.5619 0.4479 0.0628 -0.0878 -0.0011 113 ASN B O 2374 C CB . ASN B 95 ? 0.5553 0.4848 0.3814 0.0526 -0.0795 -0.0047 113 ASN B CB 2375 C CG . ASN B 95 ? 0.5760 0.5303 0.4160 0.0531 -0.0829 -0.0064 113 ASN B CG 2376 O OD1 . ASN B 95 ? 0.5318 0.4940 0.3777 0.0455 -0.0826 -0.0068 113 ASN B OD1 2377 N ND2 . ASN B 95 ? 0.6130 0.5798 0.4583 0.0619 -0.0860 -0.0075 113 ASN B ND2 2378 N N . GLY B 96 ? 0.5526 0.4740 0.3613 0.0477 -0.0848 -0.0011 114 GLY B N 2379 C CA . GLY B 96 ? 0.5611 0.4823 0.3613 0.0526 -0.0901 -0.0001 114 GLY B CA 2380 C C . GLY B 96 ? 0.5628 0.4823 0.3616 0.0437 -0.0884 0.0000 114 GLY B C 2381 O O . GLY B 96 ? 0.5782 0.4939 0.3808 0.0353 -0.0827 0.0000 114 GLY B O 2382 N N . SER B 97 ? 0.5654 0.4883 0.3588 0.0459 -0.0933 0.0002 115 SER B N 2383 C CA . SER B 97 ? 0.5814 0.5026 0.3717 0.0386 -0.0926 0.0001 115 SER B CA 2384 C C . SER B 97 ? 0.5531 0.4952 0.3549 0.0358 -0.0972 -0.0028 115 SER B C 2385 O O . SER B 97 ? 0.5393 0.4953 0.3453 0.0419 -0.1035 -0.0039 115 SER B O 2386 C CB . SER B 97 ? 0.6061 0.5109 0.3776 0.0428 -0.0946 0.0027 115 SER B CB 2387 O OG . SER B 97 ? 0.6231 0.5083 0.3845 0.0444 -0.0899 0.0055 115 SER B OG 2388 N N . ALA B 98 ? 0.5191 0.4632 0.3255 0.0265 -0.0940 -0.0040 116 ALA B N 2389 C CA . ALA B 98 ? 0.4897 0.4500 0.3046 0.0219 -0.0978 -0.0068 116 ALA B CA 2390 C C . ALA B 98 ? 0.5171 0.4772 0.3215 0.0250 -0.1046 -0.0070 116 ALA B C 2391 O O . ALA B 98 ? 0.5018 0.4451 0.2907 0.0261 -0.1038 -0.0050 116 ALA B O 2392 C CB . ALA B 98 ? 0.4665 0.4237 0.2843 0.0121 -0.0923 -0.0076 116 ALA B CB 2393 N N . THR B 99 ? 0.5152 0.4942 0.3282 0.0248 -0.1109 -0.0095 117 THR B N 2394 C CA . THR B 99 ? 0.5661 0.5461 0.3707 0.0247 -0.1170 -0.0105 117 THR B CA 2395 C C . THR B 99 ? 0.5736 0.5510 0.3779 0.0141 -0.1146 -0.0125 117 THR B C 2396 O O . THR B 99 ? 0.5756 0.5652 0.3930 0.0070 -0.1135 -0.0149 117 THR B O 2397 C CB . THR B 99 ? 0.5799 0.5816 0.3931 0.0288 -0.1253 -0.0124 117 THR B CB 2398 O OG1 . THR B 99 ? 0.5920 0.5979 0.4082 0.0387 -0.1263 -0.0108 117 THR B OG1 2399 C CG2 . THR B 99 ? 0.6077 0.6084 0.4086 0.0310 -0.1328 -0.0130 117 THR B CG2 2400 N N . ILE B 100 ? 0.5694 0.5300 0.3574 0.0138 -0.1139 -0.0114 118 ILE B N 2401 C CA . ILE B 100 ? 0.5582 0.5117 0.3417 0.0056 -0.1111 -0.0128 118 ILE B CA 2402 C C . ILE B 100 ? 0.5619 0.5273 0.3467 0.0019 -0.1185 -0.0163 118 ILE B C 2403 O O . ILE B 100 ? 0.5905 0.5580 0.3675 0.0069 -0.1255 -0.0165 118 ILE B O 2404 C CB . ILE B 100 ? 0.5700 0.5014 0.3341 0.0076 -0.1079 -0.0101 118 ILE B CB 2405 C CG1 . ILE B 100 ? 0.5732 0.4930 0.3362 0.0101 -0.1005 -0.0067 118 ILE B CG1 2406 C CG2 . ILE B 100 ? 0.5622 0.4851 0.3183 0.0005 -0.1057 -0.0117 118 ILE B CG2 2407 C CD1 . ILE B 100 ? 0.5683 0.4937 0.3464 0.0050 -0.0942 -0.0071 118 ILE B CD1 2408 N N . ASN B 101 ? 0.5356 0.5081 0.3294 -0.0068 -0.1170 -0.0190 119 ASN B N 2409 C CA . ASN B 101 ? 0.5421 0.5245 0.3372 -0.0122 -0.1235 -0.0227 119 ASN B CA 2410 C C . ASN B 101 ? 0.5413 0.5186 0.3372 -0.0224 -0.1191 -0.0249 119 ASN B C 2411 O O . ASN B 101 ? 0.5326 0.4949 0.3231 -0.0238 -0.1114 -0.0233 119 ASN B O 2412 C CB . ASN B 101 ? 0.5372 0.5439 0.3481 -0.0106 -0.1297 -0.0242 119 ASN B CB 2413 C CG . ASN B 101 ? 0.5013 0.5194 0.3299 -0.0130 -0.1249 -0.0239 119 ASN B CG 2414 O OD1 . ASN B 101 ? 0.5248 0.5573 0.3636 -0.0075 -0.1272 -0.0233 119 ASN B OD1 2415 N ND2 . ASN B 101 ? 0.4841 0.4966 0.3160 -0.0203 -0.1185 -0.0245 119 ASN B ND2 2416 N N . ALA B 102 ? 0.5356 0.5249 0.3375 -0.0294 -0.1241 -0.0286 120 ALA B N 2417 C CA . ALA B 102 ? 0.5493 0.5324 0.3504 -0.0389 -0.1205 -0.0309 120 ALA B CA 2418 C C . ALA B 102 ? 0.5332 0.5156 0.3454 -0.0415 -0.1115 -0.0293 120 ALA B C 2419 O O . ALA B 102 ? 0.5358 0.5037 0.3418 -0.0449 -0.1049 -0.0289 120 ALA B O 2420 C CB . ALA B 102 ? 0.5514 0.5491 0.3589 -0.0465 -0.1276 -0.0350 120 ALA B CB 2421 N N . ASN B 103 ? 0.5126 0.5112 0.3406 -0.0391 -0.1117 -0.0284 121 ASN B N 2422 C CA . ASN B 103 ? 0.4975 0.4993 0.3372 -0.0408 -0.1049 -0.0272 121 ASN B CA 2423 C C . ASN B 103 ? 0.4796 0.4711 0.3178 -0.0348 -0.0980 -0.0236 121 ASN B C 2424 O O . ASN B 103 ? 0.4699 0.4625 0.3165 -0.0368 -0.0920 -0.0228 121 ASN B O 2425 C CB . ASN B 103 ? 0.4967 0.5220 0.3542 -0.0409 -0.1085 -0.0280 121 ASN B CB 2426 C CG . ASN B 103 ? 0.5214 0.5596 0.3834 -0.0484 -0.1149 -0.0315 121 ASN B CG 2427 O OD1 . ASN B 103 ? 0.5567 0.6131 0.4262 -0.0462 -0.1219 -0.0325 121 ASN B OD1 2428 N ND2 . ASN B 103 ? 0.5268 0.5559 0.3838 -0.0570 -0.1128 -0.0334 121 ASN B ND2 2429 N N . VAL B 104 ? 0.4643 0.4470 0.2921 -0.0277 -0.0993 -0.0216 122 VAL B N 2430 C CA . VAL B 104 ? 0.4594 0.4347 0.2863 -0.0215 -0.0944 -0.0183 122 VAL B CA 2431 C C . VAL B 104 ? 0.4825 0.4392 0.2915 -0.0188 -0.0932 -0.0166 122 VAL B C 2432 O O . VAL B 104 ? 0.4753 0.4302 0.2751 -0.0143 -0.0990 -0.0165 122 VAL B O 2433 C CB . VAL B 104 ? 0.4411 0.4287 0.2764 -0.0144 -0.0979 -0.0174 122 VAL B CB 2434 C CG1 . VAL B 104 ? 0.4425 0.4194 0.2746 -0.0090 -0.0929 -0.0144 122 VAL B CG1 2435 C CG2 . VAL B 104 ? 0.4236 0.4309 0.2768 -0.0173 -0.0986 -0.0191 122 VAL B CG2 2436 N N . GLN B 105 ? 0.4887 0.4323 0.2926 -0.0217 -0.0859 -0.0153 123 GLN B N 2437 C CA . GLN B 105 ? 0.5080 0.4333 0.2949 -0.0198 -0.0830 -0.0133 123 GLN B CA 2438 C C . GLN B 105 ? 0.4841 0.4007 0.2716 -0.0195 -0.0746 -0.0104 123 GLN B C 2439 O O . GLN B 105 ? 0.4510 0.3739 0.2505 -0.0225 -0.0704 -0.0106 123 GLN B O 2440 C CB . GLN B 105 ? 0.5523 0.4699 0.3291 -0.0247 -0.0830 -0.0153 123 GLN B CB 2441 C CG . GLN B 105 ? 0.6184 0.5433 0.3925 -0.0248 -0.0921 -0.0181 123 GLN B CG 2442 C CD . GLN B 105 ? 0.6714 0.5886 0.4346 -0.0296 -0.0934 -0.0207 123 GLN B CD 2443 O OE1 . GLN B 105 ? 0.7443 0.6705 0.5124 -0.0347 -0.0981 -0.0241 123 GLN B OE1 2444 N NE2 . GLN B 105 ? 0.7138 0.6138 0.4616 -0.0283 -0.0891 -0.0192 123 GLN B NE2 2445 N N . VAL B 106 ? 0.4570 0.3601 0.2319 -0.0159 -0.0723 -0.0076 124 VAL B N 2446 C CA . VAL B 106 ? 0.4565 0.3514 0.2311 -0.0158 -0.0648 -0.0045 124 VAL B CA 2447 C C . VAL B 106 ? 0.4581 0.3459 0.2282 -0.0202 -0.0588 -0.0046 124 VAL B C 2448 O O . VAL B 106 ? 0.4492 0.3295 0.2074 -0.0206 -0.0598 -0.0052 124 VAL B O 2449 C CB . VAL B 106 ? 0.4798 0.3622 0.2412 -0.0106 -0.0647 -0.0013 124 VAL B CB 2450 C CG1 . VAL B 106 ? 0.4884 0.3599 0.2457 -0.0119 -0.0565 0.0018 124 VAL B CG1 2451 C CG2 . VAL B 106 ? 0.4732 0.3613 0.2393 -0.0052 -0.0695 -0.0009 124 VAL B CG2 2452 N N . ALA B 107 ? 0.4359 0.3260 0.2148 -0.0230 -0.0525 -0.0038 125 ALA B N 2453 C CA . ALA B 107 ? 0.4350 0.3188 0.2099 -0.0259 -0.0463 -0.0035 125 ALA B CA 2454 C C . ALA B 107 ? 0.4540 0.3244 0.2156 -0.0240 -0.0414 -0.0002 125 ALA B C 2455 O O . ALA B 107 ? 0.4541 0.3203 0.2124 -0.0213 -0.0416 0.0021 125 ALA B O 2456 C CB . ALA B 107 ? 0.4185 0.3094 0.2064 -0.0285 -0.0413 -0.0033 125 ALA B CB 2457 N N . GLN B 108 ? 0.4639 0.3284 0.2197 -0.0258 -0.0362 0.0000 126 GLN B N 2458 C CA . GLN B 108 ? 0.5238 0.3772 0.2680 -0.0247 -0.0304 0.0027 126 GLN B CA 2459 C C . GLN B 108 ? 0.4876 0.3435 0.2393 -0.0264 -0.0221 0.0048 126 GLN B C 2460 O O . GLN B 108 ? 0.4621 0.3244 0.2222 -0.0285 -0.0201 0.0032 126 GLN B O 2461 C CB . GLN B 108 ? 0.5981 0.4440 0.3299 -0.0250 -0.0308 0.0007 126 GLN B CB 2462 C CG . GLN B 108 ? 0.6939 0.5275 0.4086 -0.0222 -0.0303 0.0024 126 GLN B CG 2463 C CD . GLN B 108 ? 0.7816 0.6137 0.4900 -0.0196 -0.0384 0.0018 126 GLN B CD 2464 O OE1 . GLN B 108 ? 0.8954 0.7283 0.6061 -0.0174 -0.0397 0.0041 126 GLN B OE1 2465 N NE2 . GLN B 108 ? 0.8354 0.6640 0.5341 -0.0195 -0.0436 -0.0010 126 GLN B NE2 2466 N N . LEU B 109 ? 0.4560 0.3066 0.2036 -0.0257 -0.0171 0.0084 127 LEU B N 2467 C CA . LEU B 109 ? 0.4525 0.3075 0.2083 -0.0275 -0.0097 0.0105 127 LEU B CA 2468 C C . LEU B 109 ? 0.4457 0.2934 0.1913 -0.0269 -0.0021 0.0132 127 LEU B C 2469 O O . LEU B 109 ? 0.4730 0.3100 0.2039 -0.0250 -0.0020 0.0145 127 LEU B O 2470 C CB . LEU B 109 ? 0.4612 0.3190 0.2241 -0.0283 -0.0098 0.0126 127 LEU B CB 2471 C CG . LEU B 109 ? 0.4654 0.3302 0.2379 -0.0279 -0.0165 0.0104 127 LEU B CG 2472 C CD1 . LEU B 109 ? 0.4748 0.3404 0.2531 -0.0286 -0.0156 0.0123 127 LEU B CD1 2473 C CD2 . LEU B 109 ? 0.4544 0.3305 0.2394 -0.0295 -0.0173 0.0075 127 LEU B CD2 2474 N N . PRO B 110 ? 0.4314 0.2852 0.1844 -0.0281 0.0042 0.0141 128 PRO B N 2475 C CA . PRO B 110 ? 0.4402 0.2900 0.1862 -0.0272 0.0121 0.0169 128 PRO B CA 2476 C C . PRO B 110 ? 0.4480 0.2956 0.1927 -0.0285 0.0160 0.0210 128 PRO B C 2477 O O . PRO B 110 ? 0.4307 0.2797 0.1808 -0.0303 0.0127 0.0216 128 PRO B O 2478 C CB . PRO B 110 ? 0.4291 0.2898 0.1875 -0.0279 0.0169 0.0166 128 PRO B CB 2479 C CG . PRO B 110 ? 0.4143 0.2850 0.1878 -0.0302 0.0125 0.0150 128 PRO B CG 2480 C CD . PRO B 110 ? 0.4239 0.2903 0.1940 -0.0301 0.0045 0.0131 128 PRO B CD 2481 N N . ALA B 111 ? 0.4537 0.2975 0.1906 -0.0277 0.0233 0.0239 129 ALA B N 2482 C CA . ALA B 111 ? 0.4672 0.3088 0.2022 -0.0297 0.0282 0.0282 129 ALA B CA 2483 C C . ALA B 111 ? 0.4375 0.2926 0.1894 -0.0331 0.0314 0.0290 129 ALA B C 2484 O O . ALA B 111 ? 0.4099 0.2745 0.1711 -0.0325 0.0326 0.0273 129 ALA B O 2485 C CB . ALA B 111 ? 0.4788 0.3134 0.2004 -0.0278 0.0357 0.0313 129 ALA B CB 2486 N N . GLN B 112 ? 0.4383 0.2930 0.1927 -0.0368 0.0333 0.0319 130 GLN B N 2487 C CA . GLN B 112 ? 0.4238 0.2908 0.1929 -0.0410 0.0373 0.0334 130 GLN B CA 2488 C C . GLN B 112 ? 0.4245 0.3010 0.1977 -0.0400 0.0447 0.0347 130 GLN B C 2489 O O . GLN B 112 ? 0.4186 0.2898 0.1815 -0.0379 0.0495 0.0367 130 GLN B O 2490 C CB . GLN B 112 ? 0.4307 0.2925 0.1972 -0.0456 0.0399 0.0370 130 GLN B CB 2491 C CG . GLN B 112 ? 0.4147 0.2893 0.1957 -0.0512 0.0443 0.0387 130 GLN B CG 2492 C CD . GLN B 112 ? 0.3940 0.2776 0.1893 -0.0530 0.0389 0.0355 130 GLN B CD 2493 O OE1 . GLN B 112 ? 0.3813 0.2592 0.1756 -0.0518 0.0318 0.0330 130 GLN B OE1 2494 N NE2 . GLN B 112 ? 0.3783 0.2769 0.1872 -0.0558 0.0426 0.0358 130 GLN B NE2 2495 N N . GLY B 113 ? 0.4175 0.3083 0.2058 -0.0411 0.0456 0.0336 131 GLY B N 2496 C CA . GLY B 113 ? 0.4220 0.3240 0.2159 -0.0398 0.0529 0.0352 131 GLY B CA 2497 C C . GLY B 113 ? 0.4425 0.3418 0.2293 -0.0335 0.0540 0.0334 131 GLY B C 2498 O O . GLY B 113 ? 0.4501 0.3585 0.2410 -0.0313 0.0602 0.0348 131 GLY B O 2499 N N . ARG B 114 ? 0.4709 0.3580 0.2466 -0.0306 0.0487 0.0306 132 ARG B N 2500 C CA . ARG B 114 ? 0.5074 0.3907 0.2756 -0.0254 0.0501 0.0287 132 ARG B CA 2501 C C . ARG B 114 ? 0.5015 0.3966 0.2826 -0.0243 0.0502 0.0270 132 ARG B C 2502 O O . ARG B 114 ? 0.4979 0.3993 0.2904 -0.0270 0.0451 0.0252 132 ARG B O 2503 C CB . ARG B 114 ? 0.5697 0.4386 0.3241 -0.0231 0.0440 0.0253 132 ARG B CB 2504 C CG . ARG B 114 ? 0.6102 0.4747 0.3563 -0.0180 0.0470 0.0236 132 ARG B CG 2505 C CD . ARG B 114 ? 0.6521 0.5006 0.3788 -0.0147 0.0457 0.0215 132 ARG B CD 2506 N NE . ARG B 114 ? 0.6823 0.5241 0.4048 -0.0142 0.0392 0.0167 132 ARG B NE 2507 C CZ . ARG B 114 ? 0.6406 0.4776 0.3610 -0.0169 0.0305 0.0138 132 ARG B CZ 2508 N NH1 . ARG B 114 ? 0.6856 0.5232 0.4077 -0.0192 0.0269 0.0150 132 ARG B NH1 2509 N NH2 . ARG B 114 ? 0.5987 0.4319 0.3172 -0.0175 0.0253 0.0098 132 ARG B NH2 2510 N N . ARG B 115 ? 0.5058 0.4043 0.2855 -0.0201 0.0563 0.0278 133 ARG B N 2511 C CA . ARG B 115 ? 0.5292 0.4382 0.3195 -0.0180 0.0571 0.0267 133 ARG B CA 2512 C C . ARG B 115 ? 0.5247 0.4232 0.3036 -0.0130 0.0568 0.0241 133 ARG B C 2513 O O . ARG B 115 ? 0.5397 0.4273 0.3041 -0.0100 0.0595 0.0244 133 ARG B O 2514 C CB . ARG B 115 ? 0.5781 0.5024 0.3783 -0.0171 0.0646 0.0302 133 ARG B CB 2515 C CG . ARG B 115 ? 0.6056 0.5452 0.4235 -0.0195 0.0625 0.0297 133 ARG B CG 2516 C CD . ARG B 115 ? 0.6346 0.5915 0.4631 -0.0177 0.0692 0.0326 133 ARG B CD 2517 N NE . ARG B 115 ? 0.6705 0.6389 0.5121 -0.0245 0.0679 0.0340 133 ARG B NE 2518 C CZ . ARG B 115 ? 0.6089 0.5847 0.4625 -0.0281 0.0626 0.0322 133 ARG B CZ 2519 N NH1 . ARG B 115 ? 0.5578 0.5332 0.4141 -0.0256 0.0582 0.0293 133 ARG B NH1 2520 N NH2 . ARG B 115 ? 0.5709 0.5537 0.4329 -0.0346 0.0620 0.0334 133 ARG B NH2 2521 N N . LEU B 116 ? 0.4937 0.3938 0.2780 -0.0126 0.0529 0.0214 134 LEU B N 2522 C CA . LEU B 116 ? 0.4684 0.3573 0.2418 -0.0090 0.0522 0.0187 134 LEU B CA 2523 C C . LEU B 116 ? 0.4621 0.3575 0.2387 -0.0037 0.0583 0.0199 134 LEU B C 2524 O O . LEU B 116 ? 0.4405 0.3504 0.2317 -0.0040 0.0592 0.0211 134 LEU B O 2525 C CB . LEU B 116 ? 0.4719 0.3586 0.2494 -0.0123 0.0444 0.0152 134 LEU B CB 2526 C CG . LEU B 116 ? 0.4763 0.3563 0.2500 -0.0167 0.0374 0.0135 134 LEU B CG 2527 C CD1 . LEU B 116 ? 0.4842 0.3664 0.2652 -0.0197 0.0306 0.0104 134 LEU B CD1 2528 C CD2 . LEU B 116 ? 0.4992 0.3639 0.2545 -0.0150 0.0374 0.0126 134 LEU B CD2 2529 N N . GLY B 117 ? 0.4704 0.3552 0.2331 0.0016 0.0625 0.0196 135 GLY B N 2530 C CA . GLY B 117 ? 0.4577 0.3476 0.2219 0.0080 0.0685 0.0208 135 GLY B CA 2531 C C . GLY B 117 ? 0.4601 0.3439 0.2233 0.0089 0.0650 0.0178 135 GLY B C 2532 O O . GLY B 117 ? 0.4365 0.3093 0.1941 0.0049 0.0588 0.0146 135 GLY B O 2533 N N . ASN B 118 ? 0.4616 0.3516 0.2281 0.0147 0.0699 0.0193 136 ASN B N 2534 C CA . ASN B 118 ? 0.4965 0.3810 0.2608 0.0178 0.0693 0.0176 136 ASN B CA 2535 C C . ASN B 118 ? 0.4944 0.3562 0.2397 0.0180 0.0674 0.0143 136 ASN B C 2536 O O . ASN B 118 ? 0.5081 0.3594 0.2391 0.0214 0.0710 0.0143 136 ASN B O 2537 C CB . ASN B 118 ? 0.5337 0.4269 0.3000 0.0265 0.0771 0.0206 136 ASN B CB 2538 C CG . ASN B 118 ? 0.5978 0.4934 0.3688 0.0295 0.0767 0.0203 136 ASN B CG 2539 O OD1 . ASN B 118 ? 0.6992 0.5843 0.4588 0.0367 0.0806 0.0202 136 ASN B OD1 2540 N ND2 . ASN B 118 ? 0.5788 0.4864 0.3649 0.0245 0.0720 0.0201 136 ASN B ND2 2541 N N . GLY B 119 ? 0.4696 0.3237 0.2140 0.0137 0.0616 0.0112 137 GLY B N 2542 C CA . GLY B 119 ? 0.4811 0.3138 0.2074 0.0129 0.0595 0.0077 137 GLY B CA 2543 C C . GLY B 119 ? 0.4924 0.3182 0.2146 0.0054 0.0523 0.0049 137 GLY B C 2544 O O . GLY B 119 ? 0.5241 0.3350 0.2352 0.0028 0.0488 0.0015 137 GLY B O 2545 N N . VAL B 120 ? 0.4733 0.3094 0.2041 0.0018 0.0497 0.0060 138 VAL B N 2546 C CA . VAL B 120 ? 0.4660 0.2972 0.1940 -0.0044 0.0425 0.0035 138 VAL B CA 2547 C C . VAL B 120 ? 0.4724 0.3038 0.2067 -0.0101 0.0358 0.0006 138 VAL B C 2548 O O . VAL B 120 ? 0.4344 0.2774 0.1829 -0.0110 0.0355 0.0016 138 VAL B O 2549 C CB . VAL B 120 ? 0.4593 0.3019 0.1963 -0.0066 0.0414 0.0058 138 VAL B CB 2550 C CG1 . VAL B 120 ? 0.4628 0.3014 0.1977 -0.0124 0.0334 0.0034 138 VAL B CG1 2551 C CG2 . VAL B 120 ? 0.4724 0.3125 0.2003 -0.0018 0.0481 0.0086 138 VAL B CG2 2552 N N . GLN B 121 ? 0.4893 0.3086 0.2131 -0.0142 0.0302 -0.0028 139 GLN B N 2553 C CA . GLN B 121 ? 0.4947 0.3127 0.2222 -0.0202 0.0240 -0.0058 139 GLN B CA 2554 C C . GLN B 121 ? 0.4499 0.2780 0.1874 -0.0252 0.0173 -0.0064 139 GLN B C 2555 O O . GLN B 121 ? 0.4498 0.2744 0.1805 -0.0257 0.0147 -0.0068 139 GLN B O 2556 C CB . GLN B 121 ? 0.5486 0.3478 0.2580 -0.0223 0.0216 -0.0096 139 GLN B CB 2557 C CG . GLN B 121 ? 0.6283 0.4133 0.3235 -0.0166 0.0282 -0.0095 139 GLN B CG 2558 C CD . GLN B 121 ? 0.7057 0.4942 0.4085 -0.0151 0.0315 -0.0083 139 GLN B CD 2559 O OE1 . GLN B 121 ? 0.8095 0.6024 0.5147 -0.0082 0.0383 -0.0052 139 GLN B OE1 2560 N NE2 . GLN B 121 ? 0.7598 0.5482 0.4676 -0.0215 0.0266 -0.0105 139 GLN B NE2 2561 N N . CYS B 122 ? 0.4128 0.2528 0.1653 -0.0283 0.0145 -0.0063 140 CYS B N 2562 C CA . CYS B 122 ? 0.3986 0.2497 0.1625 -0.0322 0.0083 -0.0066 140 CYS B CA 2563 C C . CYS B 122 ? 0.3906 0.2447 0.1608 -0.0375 0.0032 -0.0092 140 CYS B C 2564 O O . CYS B 122 ? 0.3823 0.2304 0.1493 -0.0383 0.0051 -0.0101 140 CYS B O 2565 C CB . CYS B 122 ? 0.3890 0.2550 0.1676 -0.0302 0.0108 -0.0034 140 CYS B CB 2566 S SG . CYS B 122 ? 0.4136 0.2801 0.1886 -0.0248 0.0181 0.0002 140 CYS B SG 2567 N N . LEU B 123 ? 0.3828 0.2468 0.1624 -0.0408 -0.0026 -0.0099 141 LEU B N 2568 C CA . LEU B 123 ? 0.3875 0.2582 0.1760 -0.0456 -0.0072 -0.0117 141 LEU B CA 2569 C C . LEU B 123 ? 0.3555 0.2424 0.1606 -0.0450 -0.0083 -0.0100 141 LEU B C 2570 O O . LEU B 123 ? 0.3338 0.2258 0.1420 -0.0438 -0.0105 -0.0091 141 LEU B O 2571 C CB . LEU B 123 ? 0.4206 0.2872 0.2023 -0.0496 -0.0141 -0.0148 141 LEU B CB 2572 C CG . LEU B 123 ? 0.4483 0.3175 0.2338 -0.0560 -0.0190 -0.0176 141 LEU B CG 2573 C CD1 . LEU B 123 ? 0.4665 0.3238 0.2437 -0.0588 -0.0162 -0.0192 141 LEU B CD1 2574 C CD2 . LEU B 123 ? 0.4650 0.3354 0.2472 -0.0594 -0.0267 -0.0203 141 LEU B CD2 2575 N N . ALA B 124 ? 0.3448 0.2383 0.1593 -0.0456 -0.0063 -0.0094 142 ALA B N 2576 C CA . ALA B 124 ? 0.3222 0.2307 0.1522 -0.0460 -0.0083 -0.0086 142 ALA B CA 2577 C C . ALA B 124 ? 0.3241 0.2378 0.1590 -0.0509 -0.0142 -0.0110 142 ALA B C 2578 O O . ALA B 124 ? 0.3344 0.2408 0.1623 -0.0546 -0.0158 -0.0131 142 ALA B O 2579 C CB . ALA B 124 ? 0.3091 0.2223 0.1461 -0.0440 -0.0032 -0.0068 142 ALA B CB 2580 N N . MET B 125 ? 0.3106 0.2372 0.1575 -0.0509 -0.0173 -0.0108 143 MET B N 2581 C CA . MET B 125 ? 0.3075 0.2420 0.1608 -0.0548 -0.0226 -0.0127 143 MET B CA 2582 C C . MET B 125 ? 0.2886 0.2375 0.1558 -0.0531 -0.0235 -0.0118 143 MET B C 2583 O O . MET B 125 ? 0.2839 0.2352 0.1544 -0.0493 -0.0213 -0.0100 143 MET B O 2584 C CB . MET B 125 ? 0.3210 0.2535 0.1684 -0.0563 -0.0285 -0.0146 143 MET B CB 2585 C CG . MET B 125 ? 0.3269 0.2611 0.1740 -0.0519 -0.0301 -0.0133 143 MET B CG 2586 S SD . MET B 125 ? 0.3372 0.2667 0.1744 -0.0521 -0.0366 -0.0151 143 MET B SD 2587 C CE . MET B 125 ? 0.3522 0.2641 0.1731 -0.0529 -0.0324 -0.0154 143 MET B CE 2588 N N . GLY B 126 ? 0.2788 0.2367 0.1537 -0.0561 -0.0264 -0.0130 144 GLY B N 2589 C CA . GLY B 126 ? 0.2678 0.2387 0.1543 -0.0545 -0.0282 -0.0127 144 GLY B CA 2590 C C . GLY B 126 ? 0.2618 0.2421 0.1564 -0.0583 -0.0292 -0.0136 144 GLY B C 2591 O O . GLY B 126 ? 0.2769 0.2525 0.1679 -0.0630 -0.0282 -0.0144 144 GLY B O 2592 N N . TRP B 127 ? 0.2496 0.2423 0.1544 -0.0561 -0.0307 -0.0134 145 TRP B N 2593 C CA . TRP B 127 ? 0.2512 0.2555 0.1656 -0.0585 -0.0311 -0.0137 145 TRP B CA 2594 C C . TRP B 127 ? 0.2408 0.2483 0.1607 -0.0566 -0.0261 -0.0121 145 TRP B C 2595 O O . TRP B 127 ? 0.2312 0.2497 0.1597 -0.0569 -0.0262 -0.0120 145 TRP B O 2596 C CB . TRP B 127 ? 0.2490 0.2658 0.1708 -0.0563 -0.0361 -0.0147 145 TRP B CB 2597 C CG . TRP B 127 ? 0.2647 0.2827 0.1836 -0.0587 -0.0417 -0.0164 145 TRP B CG 2598 C CD1 . TRP B 127 ? 0.2697 0.2932 0.1908 -0.0647 -0.0441 -0.0179 145 TRP B CD1 2599 C CD2 . TRP B 127 ? 0.2734 0.2885 0.1870 -0.0552 -0.0459 -0.0169 145 TRP B CD2 2600 N NE1 . TRP B 127 ? 0.2764 0.3019 0.1947 -0.0649 -0.0500 -0.0195 145 TRP B NE1 2601 C CE2 . TRP B 127 ? 0.2771 0.2971 0.1903 -0.0588 -0.0512 -0.0188 145 TRP B CE2 2602 C CE3 . TRP B 127 ? 0.2757 0.2833 0.1837 -0.0497 -0.0456 -0.0157 145 TRP B CE3 2603 C CZ2 . TRP B 127 ? 0.2845 0.3020 0.1914 -0.0565 -0.0563 -0.0196 145 TRP B CZ2 2604 C CZ3 . TRP B 127 ? 0.2739 0.2792 0.1763 -0.0475 -0.0502 -0.0163 145 TRP B CZ3 2605 C CH2 . TRP B 127 ? 0.2823 0.2926 0.1839 -0.0505 -0.0557 -0.0182 145 TRP B CH2 2606 N N . GLY B 128 ? 0.2322 0.2309 0.1470 -0.0547 -0.0218 -0.0107 146 GLY B N 2607 C CA . GLY B 128 ? 0.2289 0.2301 0.1476 -0.0531 -0.0175 -0.0092 146 GLY B CA 2608 C C . GLY B 128 ? 0.2326 0.2329 0.1514 -0.0569 -0.0144 -0.0086 146 GLY B C 2609 O O . GLY B 128 ? 0.2314 0.2301 0.1483 -0.0621 -0.0158 -0.0097 146 GLY B O 2610 N N . LEU B 129 ? 0.2264 0.2283 0.1475 -0.0541 -0.0104 -0.0070 147 LEU B N 2611 C CA . LEU B 129 ? 0.2332 0.2333 0.1536 -0.0565 -0.0069 -0.0059 147 LEU B CA 2612 C C . LEU B 129 ? 0.2523 0.2376 0.1617 -0.0592 -0.0044 -0.0057 147 LEU B C 2613 O O . LEU B 129 ? 0.2694 0.2454 0.1713 -0.0570 -0.0039 -0.0057 147 LEU B O 2614 C CB . LEU B 129 ? 0.2295 0.2334 0.1531 -0.0520 -0.0033 -0.0041 147 LEU B CB 2615 C CG . LEU B 129 ? 0.2229 0.2398 0.1559 -0.0488 -0.0047 -0.0042 147 LEU B CG 2616 C CD1 . LEU B 129 ? 0.2162 0.2332 0.1490 -0.0442 -0.0011 -0.0025 147 LEU B CD1 2617 C CD2 . LEU B 129 ? 0.2277 0.2544 0.1674 -0.0520 -0.0056 -0.0046 147 LEU B CD2 2618 N N . LEU B 130 ? 0.2625 0.2450 0.1704 -0.0641 -0.0027 -0.0054 148 LEU B N 2619 C CA . LEU B 130 ? 0.2816 0.2485 0.1779 -0.0673 -0.0004 -0.0055 148 LEU B CA 2620 C C . LEU B 130 ? 0.2905 0.2492 0.1812 -0.0637 0.0053 -0.0030 148 LEU B C 2621 O O . LEU B 130 ? 0.3166 0.2612 0.1969 -0.0655 0.0079 -0.0027 148 LEU B O 2622 C CB . LEU B 130 ? 0.2878 0.2546 0.1843 -0.0758 -0.0022 -0.0069 148 LEU B CB 2623 C CG . LEU B 130 ? 0.2845 0.2627 0.1882 -0.0797 -0.0084 -0.0093 148 LEU B CG 2624 C CD1 . LEU B 130 ? 0.2932 0.2721 0.1974 -0.0891 -0.0099 -0.0106 148 LEU B CD1 2625 C CD2 . LEU B 130 ? 0.2893 0.2601 0.1859 -0.0780 -0.0116 -0.0109 148 LEU B CD2 2626 N N . GLY B 131 ? 0.2811 0.2479 0.1778 -0.0582 0.0073 -0.0012 149 GLY B N 2627 C CA . GLY B 131 ? 0.2808 0.2407 0.1719 -0.0540 0.0122 0.0011 149 GLY B CA 2628 C C . GLY B 131 ? 0.2820 0.2465 0.1768 -0.0554 0.0147 0.0027 149 GLY B C 2629 O O . GLY B 131 ? 0.2785 0.2499 0.1791 -0.0607 0.0131 0.0020 149 GLY B O 2630 N N . ARG B 132 ? 0.3293 0.2898 0.2199 -0.0497 0.0195 0.0055 151 ARG B N 2631 C CA . ARG B 132 ? 0.3532 0.3165 0.2453 -0.0496 0.0225 0.0077 151 ARG B CA 2632 C C . ARG B 132 ? 0.3517 0.3121 0.2431 -0.0579 0.0230 0.0074 151 ARG B C 2633 O O . ARG B 132 ? 0.3720 0.3182 0.2538 -0.0620 0.0245 0.0073 151 ARG B O 2634 C CB . ARG B 132 ? 0.3970 0.3485 0.2787 -0.0441 0.0275 0.0104 151 ARG B CB 2635 C CG . ARG B 132 ? 0.4278 0.3795 0.3083 -0.0431 0.0314 0.0132 151 ARG B CG 2636 C CD . ARG B 132 ? 0.4776 0.4117 0.3438 -0.0401 0.0368 0.0161 151 ARG B CD 2637 N NE . ARG B 132 ? 0.4851 0.4281 0.3550 -0.0334 0.0381 0.0181 151 ARG B NE 2638 C CZ . ARG B 132 ? 0.4653 0.4162 0.3393 -0.0327 0.0393 0.0197 151 ARG B CZ 2639 N NH1 . ARG B 132 ? 0.3986 0.3644 0.2815 -0.0276 0.0369 0.0191 151 ARG B NH1 2640 N NH2 . ARG B 132 ? 0.4901 0.4326 0.3572 -0.0342 0.0435 0.0223 151 ARG B NH2 2641 N N . ASN B 133 ? 0.3286 0.3023 0.2296 -0.0603 0.0219 0.0073 152 ASN B N 2642 C CA . ASN B 133 ? 0.3481 0.3223 0.2504 -0.0685 0.0227 0.0074 152 ASN B CA 2643 C C . ASN B 133 ? 0.3583 0.3275 0.2586 -0.0768 0.0197 0.0050 152 ASN B C 2644 O O . ASN B 133 ? 0.3751 0.3409 0.2737 -0.0846 0.0210 0.0053 152 ASN B O 2645 C CB . ASN B 133 ? 0.3546 0.3184 0.2488 -0.0694 0.0287 0.0107 152 ASN B CB 2646 C CG . ASN B 133 ? 0.3494 0.3206 0.2464 -0.0619 0.0313 0.0131 152 ASN B CG 2647 O OD1 . ASN B 133 ? 0.3034 0.2895 0.2102 -0.0599 0.0294 0.0126 152 ASN B OD1 2648 N ND2 . ASN B 133 ? 0.3741 0.3334 0.2610 -0.0572 0.0355 0.0158 152 ASN B ND2 2649 N N . ARG B 134 ? 0.3526 0.3230 0.2539 -0.0755 0.0154 0.0026 153 ARG B N 2650 C CA . ARG B 134 ? 0.3646 0.3307 0.2634 -0.0828 0.0116 0.0000 153 ARG B CA 2651 C C . ARG B 134 ? 0.3313 0.3143 0.2418 -0.0840 0.0059 -0.0023 153 ARG B C 2652 O O . ARG B 134 ? 0.3306 0.3130 0.2404 -0.0893 0.0019 -0.0047 153 ARG B O 2653 C CB . ARG B 134 ? 0.3815 0.3323 0.2689 -0.0802 0.0115 -0.0009 153 ARG B CB 2654 C CG . ARG B 134 ? 0.4374 0.3685 0.3109 -0.0830 0.0157 0.0000 153 ARG B CG 2655 C CD . ARG B 134 ? 0.4818 0.4034 0.3476 -0.0746 0.0203 0.0024 153 ARG B CD 2656 N NE . ARG B 134 ? 0.5255 0.4300 0.3780 -0.0719 0.0217 0.0020 153 ARG B NE 2657 C CZ . ARG B 134 ? 0.6354 0.5204 0.4738 -0.0754 0.0244 0.0020 153 ARG B CZ 2658 N NH1 . ARG B 134 ? 0.6297 0.5083 0.4650 -0.0843 0.0251 0.0017 153 ARG B NH1 2659 N NH2 . ARG B 134 ? 0.7537 0.6244 0.5801 -0.0706 0.0260 0.0017 153 ARG B NH2 2660 N N . GLY B 135 ? 0.3020 0.2997 0.2226 -0.0793 0.0055 -0.0016 154 GLY B N 2661 C CA . GLY B 135 ? 0.2938 0.3083 0.2257 -0.0792 0.0006 -0.0034 154 GLY B CA 2662 C C . GLY B 135 ? 0.2849 0.2988 0.2159 -0.0752 -0.0037 -0.0053 154 GLY B C 2663 O O . GLY B 135 ? 0.2722 0.2770 0.1969 -0.0704 -0.0024 -0.0048 154 GLY B O 2664 N N . ILE B 136 ? 0.2897 0.3139 0.2271 -0.0773 -0.0087 -0.0072 155 ILE B N 2665 C CA . ILE B 136 ? 0.2934 0.3188 0.2307 -0.0734 -0.0132 -0.0088 155 ILE B CA 2666 C C . ILE B 136 ? 0.3012 0.3259 0.2365 -0.0790 -0.0180 -0.0111 155 ILE B C 2667 O O . ILE B 136 ? 0.2972 0.3287 0.2368 -0.0854 -0.0192 -0.0118 155 ILE B O 2668 C CB . ILE B 136 ? 0.2774 0.3172 0.2244 -0.0676 -0.0151 -0.0089 155 ILE B CB 2669 C CG1 . ILE B 136 ? 0.2903 0.3279 0.2351 -0.0629 -0.0188 -0.0100 155 ILE B CG1 2670 C CG2 . ILE B 136 ? 0.2864 0.3421 0.2433 -0.0710 -0.0176 -0.0097 155 ILE B CG2 2671 C CD1 . ILE B 136 ? 0.2743 0.3206 0.2252 -0.0562 -0.0196 -0.0098 155 ILE B CD1 2672 N N . ALA B 137 ? 0.3000 0.3176 0.2291 -0.0765 -0.0209 -0.0122 156 ALA B N 2673 C CA . ALA B 137 ? 0.3129 0.3300 0.2392 -0.0809 -0.0262 -0.0146 156 ALA B CA 2674 C C . ALA B 137 ? 0.3092 0.3447 0.2468 -0.0808 -0.0310 -0.0156 156 ALA B C 2675 O O . ALA B 137 ? 0.3057 0.3504 0.2501 -0.0745 -0.0311 -0.0148 156 ALA B O 2676 C CB . ALA B 137 ? 0.3297 0.3363 0.2471 -0.0767 -0.0280 -0.0152 156 ALA B CB 2677 N N . SER B 138 ? 0.3233 0.3639 0.2624 -0.0874 -0.0349 -0.0174 157 SER B N 2678 C CA . SER B 138 ? 0.3326 0.3892 0.2798 -0.0871 -0.0412 -0.0190 157 SER B CA 2679 C C . SER B 138 ? 0.3311 0.3800 0.2697 -0.0856 -0.0460 -0.0206 157 SER B C 2680 O O . SER B 138 ? 0.3382 0.3926 0.2787 -0.0794 -0.0496 -0.0208 157 SER B O 2681 C CB . SER B 138 ? 0.3691 0.4355 0.3219 -0.0966 -0.0430 -0.0202 157 SER B CB 2682 O OG . SER B 138 ? 0.4231 0.5061 0.3884 -0.0949 -0.0410 -0.0188 157 SER B OG 2683 N N . VAL B 139 ? 0.3277 0.3618 0.2555 -0.0910 -0.0456 -0.0217 158 VAL B N 2684 C CA . VAL B 139 ? 0.3400 0.3641 0.2571 -0.0912 -0.0499 -0.0235 158 VAL B CA 2685 C C . VAL B 139 ? 0.3191 0.3267 0.2258 -0.0853 -0.0460 -0.0221 158 VAL B C 2686 O O . VAL B 139 ? 0.3146 0.3137 0.2186 -0.0849 -0.0400 -0.0206 158 VAL B O 2687 C CB . VAL B 139 ? 0.3591 0.3762 0.2699 -0.1011 -0.0513 -0.0257 158 VAL B CB 2688 C CG1 . VAL B 139 ? 0.3803 0.3827 0.2771 -0.1011 -0.0540 -0.0274 158 VAL B CG1 2689 C CG2 . VAL B 139 ? 0.3695 0.4064 0.2920 -0.1070 -0.0564 -0.0272 158 VAL B CG2 2690 N N . LEU B 140 ? 0.3088 0.3135 0.2107 -0.0802 -0.0490 -0.0224 159 LEU B N 2691 C CA . LEU B 140 ? 0.3088 0.2985 0.2006 -0.0753 -0.0453 -0.0210 159 LEU B CA 2692 C C . LEU B 140 ? 0.3137 0.2869 0.1943 -0.0793 -0.0412 -0.0213 159 LEU B C 2693 O O . LEU B 140 ? 0.3167 0.2847 0.1911 -0.0854 -0.0439 -0.0236 159 LEU B O 2694 C CB . LEU B 140 ? 0.3116 0.2971 0.1959 -0.0717 -0.0498 -0.0217 159 LEU B CB 2695 C CG . LEU B 140 ? 0.3125 0.2837 0.1861 -0.0669 -0.0465 -0.0203 159 LEU B CG 2696 C CD1 . LEU B 140 ? 0.3014 0.2776 0.1821 -0.0611 -0.0433 -0.0179 159 LEU B CD1 2697 C CD2 . LEU B 140 ? 0.3215 0.2890 0.1867 -0.0652 -0.0518 -0.0214 159 LEU B CD2 2698 N N . GLN B 141 ? 0.3033 0.2687 0.1812 -0.0756 -0.0350 -0.0192 160 GLN B N 2699 C CA . GLN B 141 ? 0.3046 0.2538 0.1713 -0.0771 -0.0303 -0.0190 160 GLN B CA 2700 C C . GLN B 141 ? 0.3079 0.2453 0.1638 -0.0721 -0.0288 -0.0184 160 GLN B C 2701 O O . GLN B 141 ? 0.3005 0.2429 0.1597 -0.0669 -0.0295 -0.0172 160 GLN B O 2702 C CB . GLN B 141 ? 0.2971 0.2464 0.1679 -0.0760 -0.0244 -0.0168 160 GLN B CB 2703 C CG . GLN B 141 ? 0.2916 0.2532 0.1737 -0.0802 -0.0247 -0.0167 160 GLN B CG 2704 C CD . GLN B 141 ? 0.3001 0.2557 0.1776 -0.0885 -0.0252 -0.0184 160 GLN B CD 2705 O OE1 . GLN B 141 ? 0.3220 0.2881 0.2059 -0.0940 -0.0298 -0.0201 160 GLN B OE1 2706 N NE2 . GLN B 141 ? 0.2935 0.2329 0.1599 -0.0895 -0.0209 -0.0180 160 GLN B NE2 2707 N N . GLU B 142 ? 0.3213 0.2427 0.1635 -0.0739 -0.0269 -0.0193 161 GLU B N 2708 C CA . GLU B 142 ? 0.3267 0.2363 0.1579 -0.0689 -0.0240 -0.0184 161 GLU B CA 2709 C C . GLU B 142 ? 0.3431 0.2399 0.1662 -0.0681 -0.0175 -0.0175 161 GLU B C 2710 O O . GLU B 142 ? 0.3419 0.2366 0.1656 -0.0724 -0.0165 -0.0181 161 GLU B O 2711 C CB . GLU B 142 ? 0.3401 0.2425 0.1605 -0.0703 -0.0288 -0.0207 161 GLU B CB 2712 C CG . GLU B 142 ? 0.3599 0.2525 0.1710 -0.0772 -0.0311 -0.0238 161 GLU B CG 2713 C CD . GLU B 142 ? 0.3702 0.2558 0.1701 -0.0785 -0.0361 -0.0263 161 GLU B CD 2714 O OE1 . GLU B 142 ? 0.3722 0.2686 0.1777 -0.0793 -0.0423 -0.0273 161 GLU B OE1 2715 O OE2 . GLU B 142 ? 0.3799 0.2490 0.1648 -0.0782 -0.0338 -0.0272 161 GLU B OE2 2716 N N . LEU B 143 ? 0.3538 0.2418 0.1687 -0.0623 -0.0130 -0.0159 162 LEU B N 2717 C CA . LEU B 143 ? 0.3657 0.2433 0.1737 -0.0592 -0.0063 -0.0144 162 LEU B CA 2718 C C . LEU B 143 ? 0.3837 0.2506 0.1798 -0.0537 -0.0027 -0.0135 162 LEU B C 2719 O O . LEU B 143 ? 0.3846 0.2583 0.1848 -0.0495 -0.0021 -0.0118 162 LEU B O 2720 C CB . LEU B 143 ? 0.3601 0.2489 0.1804 -0.0557 -0.0026 -0.0115 162 LEU B CB 2721 C CG . LEU B 143 ? 0.3651 0.2461 0.1797 -0.0505 0.0043 -0.0093 162 LEU B CG 2722 C CD1 . LEU B 143 ? 0.3858 0.2559 0.1934 -0.0542 0.0058 -0.0103 162 LEU B CD1 2723 C CD2 . LEU B 143 ? 0.3542 0.2484 0.1811 -0.0461 0.0070 -0.0066 162 LEU B CD2 2724 N N . ASN B 144 ? 0.4056 0.2555 0.1864 -0.0537 -0.0003 -0.0147 163 ASN B N 2725 C CA . ASN B 144 ? 0.4160 0.2556 0.1848 -0.0477 0.0042 -0.0137 163 ASN B CA 2726 C C . ASN B 144 ? 0.4091 0.2539 0.1835 -0.0408 0.0109 -0.0101 163 ASN B C 2727 O O . ASN B 144 ? 0.3984 0.2428 0.1753 -0.0404 0.0138 -0.0092 163 ASN B O 2728 C CB . ASN B 144 ? 0.4532 0.2722 0.2034 -0.0489 0.0055 -0.0160 163 ASN B CB 2729 C CG . ASN B 144 ? 0.4689 0.2817 0.2111 -0.0549 -0.0010 -0.0197 163 ASN B CG 2730 O OD1 . ASN B 144 ? 0.4569 0.2746 0.2048 -0.0620 -0.0064 -0.0218 163 ASN B OD1 2731 N ND2 . ASN B 144 ? 0.4911 0.2937 0.2198 -0.0517 -0.0005 -0.0205 163 ASN B ND2 2732 N N . VAL B 145 ? 0.4017 0.2531 0.1790 -0.0359 0.0131 -0.0079 164 VAL B N 2733 C CA . VAL B 145 ? 0.3887 0.2462 0.1709 -0.0294 0.0194 -0.0045 164 VAL B CA 2734 C C . VAL B 145 ? 0.4125 0.2643 0.1851 -0.0242 0.0236 -0.0033 164 VAL B C 2735 O O . VAL B 145 ? 0.4073 0.2518 0.1709 -0.0258 0.0211 -0.0048 164 VAL B O 2736 C CB . VAL B 145 ? 0.3656 0.2419 0.1656 -0.0297 0.0179 -0.0028 164 VAL B CB 2737 C CG1 . VAL B 145 ? 0.3559 0.2389 0.1653 -0.0350 0.0131 -0.0042 164 VAL B CG1 2738 C CG2 . VAL B 145 ? 0.3718 0.2536 0.1744 -0.0302 0.0154 -0.0025 164 VAL B CG2 2739 N N . THR B 146 ? 0.4140 0.2697 0.1883 -0.0178 0.0298 -0.0004 165 THR B N 2740 C CA . THR B 146 ? 0.4349 0.2866 0.2008 -0.0121 0.0351 0.0012 165 THR B CA 2741 C C . THR B 146 ? 0.4130 0.2822 0.1925 -0.0093 0.0378 0.0045 165 THR B C 2742 O O . THR B 146 ? 0.3997 0.2804 0.1910 -0.0081 0.0389 0.0060 165 THR B O 2743 C CB . THR B 146 ? 0.4648 0.3050 0.2193 -0.0061 0.0410 0.0017 165 THR B CB 2744 O OG1 . THR B 146 ? 0.5065 0.3286 0.2468 -0.0093 0.0386 -0.0015 165 THR B OG1 2745 C CG2 . THR B 146 ? 0.4909 0.3272 0.2363 0.0009 0.0473 0.0035 165 THR B CG2 2746 N N . VAL B 147 ? 0.4018 0.2729 0.1793 -0.0085 0.0391 0.0057 166 VAL B N 2747 C CA . VAL B 147 ? 0.3893 0.2757 0.1782 -0.0066 0.0423 0.0089 166 VAL B CA 2748 C C . VAL B 147 ? 0.3859 0.2774 0.1761 0.0004 0.0493 0.0114 166 VAL B C 2749 O O . VAL B 147 ? 0.3874 0.2680 0.1650 0.0055 0.0536 0.0114 166 VAL B O 2750 C CB . VAL B 147 ? 0.3949 0.2802 0.1792 -0.0072 0.0431 0.0100 166 VAL B CB 2751 C CG1 . VAL B 147 ? 0.3896 0.2912 0.1862 -0.0059 0.0471 0.0135 166 VAL B CG1 2752 C CG2 . VAL B 147 ? 0.3947 0.2788 0.1811 -0.0135 0.0358 0.0080 166 VAL B CG2 2753 N N . VAL B 148 ? 0.3633 0.2713 0.1683 0.0010 0.0502 0.0134 167 VAL B N 2754 C CA . VAL B 148 ? 0.3604 0.2769 0.1684 0.0080 0.0565 0.0162 167 VAL B CA 2755 C C . VAL B 148 ? 0.3598 0.2957 0.1825 0.0067 0.0578 0.0188 167 VAL B C 2756 O O . VAL B 148 ? 0.3351 0.2787 0.1682 0.0006 0.0530 0.0182 167 VAL B O 2757 C CB . VAL B 148 ? 0.3557 0.2747 0.1681 0.0106 0.0563 0.0160 167 VAL B CB 2758 C CG1 . VAL B 148 ? 0.3723 0.2722 0.1702 0.0118 0.0560 0.0139 167 VAL B CG1 2759 C CG2 . VAL B 148 ? 0.3358 0.2652 0.1619 0.0049 0.0507 0.0152 167 VAL B CG2 2760 N N . THR B 149 ? 0.3786 0.3231 0.2027 0.0124 0.0642 0.0217 168 THR B N 2761 C CA . THR B 149 ? 0.3890 0.3533 0.2273 0.0113 0.0661 0.0243 168 THR B CA 2762 C C . THR B 149 ? 0.4017 0.3809 0.2504 0.0159 0.0680 0.0259 168 THR B C 2763 O O . THR B 149 ? 0.4210 0.4173 0.2837 0.0132 0.0672 0.0271 168 THR B O 2764 C CB . THR B 149 ? 0.4068 0.3723 0.2396 0.0142 0.0724 0.0268 168 THR B CB 2765 O OG1 . THR B 149 ? 0.4420 0.3986 0.2625 0.0227 0.0777 0.0273 168 THR B OG1 2766 C CG2 . THR B 149 ? 0.4095 0.3633 0.2340 0.0092 0.0703 0.0258 168 THR B CG2 2767 N N . SER B 150 ? 0.4268 0.3990 0.2684 0.0224 0.0699 0.0256 169 SER B N 2768 C CA . SER B 150 ? 0.4460 0.4317 0.2964 0.0275 0.0713 0.0272 169 SER B CA 2769 C C . SER B 150 ? 0.4236 0.4146 0.2845 0.0219 0.0648 0.0255 169 SER B C 2770 O O . SER B 150 ? 0.4000 0.3790 0.2567 0.0170 0.0601 0.0229 169 SER B O 2771 C CB . SER B 150 ? 0.4873 0.4622 0.3250 0.0374 0.0761 0.0279 169 SER B CB 2772 O OG . SER B 150 ? 0.5529 0.5364 0.3974 0.0414 0.0754 0.0286 169 SER B OG 2773 N N . LEU B 151 ? 0.4045 0.4151 0.2797 0.0220 0.0642 0.0268 170 LEU B N 2774 C CA . LEU B 151 ? 0.3835 0.4004 0.2683 0.0176 0.0586 0.0254 170 LEU B CA 2775 C C . LEU B 151 ? 0.3672 0.3830 0.2569 0.0079 0.0532 0.0233 170 LEU B C 2776 O O . LEU B 151 ? 0.3191 0.3310 0.2108 0.0037 0.0481 0.0211 170 LEU B O 2777 C CB . LEU B 151 ? 0.3981 0.4032 0.2757 0.0207 0.0573 0.0242 170 LEU B CB 2778 C CG . LEU B 151 ? 0.4253 0.4284 0.2964 0.0306 0.0619 0.0261 170 LEU B CG 2779 C CD1 . LEU B 151 ? 0.4314 0.4257 0.2989 0.0312 0.0593 0.0250 170 LEU B CD1 2780 C CD2 . LEU B 151 ? 0.4299 0.4544 0.3117 0.0362 0.0649 0.0289 170 LEU B CD2 2781 N N . CYS B 152 ? 0.3286 0.3439 0.2175 0.0036 0.0543 0.0239 172 CYS B N 2782 C CA . CYS B 152 ? 0.3309 0.3403 0.2198 -0.0039 0.0501 0.0222 172 CYS B CA 2783 C C . CYS B 152 ? 0.3250 0.3474 0.2224 -0.0072 0.0517 0.0240 172 CYS B C 2784 O O . CYS B 152 ? 0.3386 0.3648 0.2342 -0.0045 0.0569 0.0263 172 CYS B O 2785 C CB . CYS B 152 ? 0.3407 0.3326 0.2159 -0.0043 0.0505 0.0213 172 CYS B CB 2786 S SG . CYS B 152 ? 0.3454 0.3295 0.2203 -0.0126 0.0438 0.0189 172 CYS B SG 2787 N N . ARG B 153 ? 0.2951 0.3224 0.2009 -0.0144 0.0468 0.0228 181 ARG B N 2788 C CA . ARG B 153 ? 0.3013 0.3371 0.2124 -0.0187 0.0489 0.0247 181 ARG B CA 2789 C C . ARG B 153 ? 0.3132 0.3355 0.2137 -0.0210 0.0504 0.0252 181 ARG B C 2790 O O . ARG B 153 ? 0.3043 0.3116 0.1954 -0.0210 0.0476 0.0234 181 ARG B O 2791 C CB . ARG B 153 ? 0.2953 0.3380 0.2163 -0.0250 0.0438 0.0232 181 ARG B CB 2792 C CG . ARG B 153 ? 0.2900 0.3456 0.2205 -0.0227 0.0418 0.0224 181 ARG B CG 2793 C CD . ARG B 153 ? 0.2843 0.3437 0.2223 -0.0291 0.0363 0.0204 181 ARG B CD 2794 N NE . ARG B 153 ? 0.2902 0.3602 0.2357 -0.0268 0.0339 0.0194 181 ARG B NE 2795 C CZ . ARG B 153 ? 0.2952 0.3605 0.2379 -0.0226 0.0319 0.0180 181 ARG B CZ 2796 N NH1 . ARG B 153 ? 0.2839 0.3341 0.2170 -0.0206 0.0316 0.0172 181 ARG B NH1 2797 N NH2 . ARG B 153 ? 0.2929 0.3693 0.2428 -0.0208 0.0301 0.0175 181 ARG B NH2 2798 N N . ARG B 154 ? 0.3222 0.3505 0.2247 -0.0236 0.0543 0.0277 182 ARG B N 2799 C CA . ARG B 154 ? 0.3460 0.3621 0.2388 -0.0266 0.0555 0.0285 182 ARG B CA 2800 C C . ARG B 154 ? 0.3196 0.3263 0.2110 -0.0328 0.0494 0.0265 182 ARG B C 2801 O O . ARG B 154 ? 0.3153 0.3086 0.1964 -0.0337 0.0489 0.0265 182 ARG B O 2802 C CB . ARG B 154 ? 0.4003 0.4267 0.2965 -0.0284 0.0618 0.0320 182 ARG B CB 2803 C CG . ARG B 154 ? 0.4653 0.4940 0.3565 -0.0198 0.0681 0.0337 182 ARG B CG 2804 C CD . ARG B 154 ? 0.5461 0.5868 0.4401 -0.0187 0.0756 0.0374 182 ARG B CD 2805 N NE . ARG B 154 ? 0.6309 0.6622 0.5165 -0.0225 0.0783 0.0391 182 ARG B NE 2806 C CZ . ARG B 154 ? 0.7092 0.7236 0.5791 -0.0193 0.0801 0.0391 182 ARG B CZ 2807 N NH1 . ARG B 154 ? 0.7550 0.7577 0.6146 -0.0126 0.0793 0.0371 182 ARG B NH1 2808 N NH2 . ARG B 154 ? 0.7210 0.7291 0.5845 -0.0234 0.0826 0.0411 182 ARG B NH2 2809 N N . SER B 155 ? 0.2834 0.2966 0.1843 -0.0359 0.0446 0.0247 183 SER B N 2810 C CA . SER B 155 ? 0.2786 0.2836 0.1784 -0.0406 0.0388 0.0227 183 SER B CA 2811 C C . SER B 155 ? 0.2647 0.2593 0.1590 -0.0377 0.0340 0.0198 183 SER B C 2812 O O . SER B 155 ? 0.2566 0.2465 0.1513 -0.0403 0.0288 0.0178 183 SER B O 2813 C CB . SER B 155 ? 0.2746 0.2907 0.1863 -0.0451 0.0360 0.0219 183 SER B CB 2814 O OG . SER B 155 ? 0.2776 0.3058 0.1975 -0.0416 0.0357 0.0211 183 SER B OG 2815 N N . ASN B 156 ? 0.2627 0.2540 0.1517 -0.0324 0.0359 0.0196 184 ASN B N 2816 C CA . ASN B 156 ? 0.2680 0.2487 0.1505 -0.0306 0.0320 0.0171 184 ASN B CA 2817 C C . ASN B 156 ? 0.2801 0.2495 0.1500 -0.0272 0.0347 0.0175 184 ASN B C 2818 O O . ASN B 156 ? 0.2878 0.2591 0.1547 -0.0243 0.0404 0.0196 184 ASN B O 2819 C CB . ASN B 156 ? 0.2569 0.2439 0.1455 -0.0279 0.0306 0.0157 184 ASN B CB 2820 C CG . ASN B 156 ? 0.2400 0.2356 0.1393 -0.0310 0.0264 0.0144 184 ASN B CG 2821 O OD1 . ASN B 156 ? 0.2355 0.2437 0.1439 -0.0304 0.0275 0.0150 184 ASN B OD1 2822 N ND2 . ASN B 156 ? 0.2372 0.2267 0.1352 -0.0339 0.0215 0.0126 184 ASN B ND2 2823 N N . VAL B 157 ? 0.2883 0.2466 0.1510 -0.0274 0.0306 0.0152 185 VAL B N 2824 C CA . VAL B 157 ? 0.3028 0.2508 0.1544 -0.0238 0.0322 0.0144 185 VAL B CA 2825 C C . VAL B 157 ? 0.2906 0.2405 0.1457 -0.0222 0.0306 0.0128 185 VAL B C 2826 O O . VAL B 157 ? 0.2753 0.2270 0.1357 -0.0248 0.0256 0.0109 185 VAL B O 2827 C CB . VAL B 157 ? 0.3196 0.2534 0.1596 -0.0254 0.0281 0.0125 185 VAL B CB 2828 C CG1 . VAL B 157 ? 0.3330 0.2559 0.1606 -0.0219 0.0305 0.0117 185 VAL B CG1 2829 C CG2 . VAL B 157 ? 0.3422 0.2718 0.1769 -0.0271 0.0287 0.0141 185 VAL B CG2 2830 N N . CYS B 158 ? 0.2976 0.2464 0.1488 -0.0175 0.0351 0.0136 186 CYS B N 2831 C CA . CYS B 158 ? 0.3034 0.2519 0.1558 -0.0155 0.0346 0.0124 186 CYS B CA 2832 C C . CYS B 158 ? 0.3116 0.2443 0.1502 -0.0139 0.0348 0.0108 186 CYS B C 2833 O O . CYS B 158 ? 0.3147 0.2386 0.1424 -0.0115 0.0381 0.0113 186 CYS B O 2834 C CB . CYS B 158 ? 0.3064 0.2656 0.1652 -0.0108 0.0391 0.0145 186 CYS B CB 2835 S SG . CYS B 158 ? 0.3102 0.2882 0.1858 -0.0137 0.0374 0.0156 186 CYS B SG 2836 N N . THR B 159 ? 0.3007 0.2304 0.1401 -0.0152 0.0318 0.0090 187 THR B N 2837 C CA . THR B 159 ? 0.3176 0.2324 0.1445 -0.0149 0.0318 0.0072 187 THR B CA 2838 C C . THR B 159 ? 0.3356 0.2485 0.1621 -0.0125 0.0335 0.0072 187 THR B C 2839 O O . THR B 159 ? 0.3302 0.2540 0.1676 -0.0124 0.0328 0.0080 187 THR B O 2840 C CB . THR B 159 ? 0.3177 0.2255 0.1411 -0.0205 0.0257 0.0044 187 THR B CB 2841 O OG1 . THR B 159 ? 0.3207 0.2366 0.1549 -0.0242 0.0212 0.0033 187 THR B OG1 2842 C CG2 . THR B 159 ? 0.3241 0.2314 0.1453 -0.0221 0.0239 0.0045 187 THR B CG2 2843 N N . LEU B 160 ? 0.3566 0.2542 0.1695 -0.0110 0.0353 0.0062 188 LEU B N 2844 C CA . LEU B 160 ? 0.3919 0.2854 0.2028 -0.0086 0.0374 0.0065 188 LEU B CA 2845 C C . LEU B 160 ? 0.4090 0.2832 0.2049 -0.0105 0.0369 0.0042 188 LEU B C 2846 O O . LEU B 160 ? 0.4496 0.3134 0.2345 -0.0104 0.0373 0.0031 188 LEU B O 2847 C CB . LEU B 160 ? 0.3986 0.2962 0.2089 -0.0001 0.0439 0.0095 188 LEU B CB 2848 C CG . LEU B 160 ? 0.4018 0.2950 0.2087 0.0043 0.0470 0.0106 188 LEU B CG 2849 C CD1 . LEU B 160 ? 0.3766 0.2852 0.1984 0.0028 0.0446 0.0114 188 LEU B CD1 2850 C CD2 . LEU B 160 ? 0.4220 0.3142 0.2226 0.0136 0.0536 0.0131 188 LEU B CD2 2851 N N . VAL B 161 ? 0.4219 0.2915 0.2173 -0.0130 0.0358 0.0034 189 VAL B N 2852 C CA . VAL B 161 ? 0.4344 0.2849 0.2154 -0.0160 0.0353 0.0011 189 VAL B CA 2853 C C . VAL B 161 ? 0.4813 0.3229 0.2541 -0.0092 0.0413 0.0030 189 VAL B C 2854 O O . VAL B 161 ? 0.5246 0.3732 0.3049 -0.0079 0.0423 0.0048 189 VAL B O 2855 C CB . VAL B 161 ? 0.4254 0.2781 0.2127 -0.0245 0.0298 -0.0008 189 VAL B CB 2856 C CG1 . VAL B 161 ? 0.4370 0.2700 0.2097 -0.0287 0.0295 -0.0032 189 VAL B CG1 2857 C CG2 . VAL B 161 ? 0.4029 0.2663 0.1995 -0.0300 0.0238 -0.0024 189 VAL B CG2 2858 N N . ARG B 162 ? 0.4952 0.3219 0.2525 -0.0039 0.0457 0.0031 190 ARG B N 2859 C CA . ARG B 162 ? 0.5168 0.3356 0.2659 0.0040 0.0517 0.0052 190 ARG B CA 2860 C C . ARG B 162 ? 0.5325 0.3333 0.2707 0.0003 0.0514 0.0038 190 ARG B C 2861 O O . ARG B 162 ? 0.5272 0.3158 0.2579 -0.0075 0.0477 0.0006 190 ARG B O 2862 C CB . ARG B 162 ? 0.5544 0.3640 0.2902 0.0124 0.0571 0.0060 190 ARG B CB 2863 C CG . ARG B 162 ? 0.5345 0.3633 0.2814 0.0187 0.0600 0.0090 190 ARG B CG 2864 C CD . ARG B 162 ? 0.5303 0.3691 0.2835 0.0269 0.0643 0.0124 190 ARG B CD 2865 N NE . ARG B 162 ? 0.5187 0.3770 0.2829 0.0322 0.0670 0.0151 190 ARG B NE 2866 C CZ . ARG B 162 ? 0.5139 0.3845 0.2846 0.0401 0.0707 0.0182 190 ARG B CZ 2867 N NH1 . ARG B 162 ? 0.5203 0.3846 0.2866 0.0444 0.0723 0.0193 190 ARG B NH1 2868 N NH2 . ARG B 162 ? 0.5038 0.3932 0.2852 0.0437 0.0728 0.0204 190 ARG B NH2 2869 N N . GLY B 163 ? 0.5476 0.3480 0.2859 0.0056 0.0551 0.0064 191 GLY B N 2870 C CA . GLY B 163 ? 0.5744 0.3558 0.3001 0.0040 0.0566 0.0060 191 GLY B CA 2871 C C . GLY B 163 ? 0.5829 0.3680 0.3170 -0.0055 0.0523 0.0051 191 GLY B C 2872 O O . GLY B 163 ? 0.6153 0.3847 0.3395 -0.0084 0.0534 0.0047 191 GLY B O 2873 N N . ARG B 164 ? 0.5733 0.3785 0.3249 -0.0104 0.0477 0.0047 192 ARG B N 2874 C CA . ARG B 164 ? 0.5679 0.3790 0.3286 -0.0186 0.0440 0.0040 192 ARG B CA 2875 C C . ARG B 164 ? 0.5403 0.3759 0.3207 -0.0196 0.0405 0.0046 192 ARG B C 2876 O O . ARG B 164 ? 0.5390 0.3861 0.3257 -0.0142 0.0412 0.0057 192 ARG B O 2877 C CB . ARG B 164 ? 0.5733 0.3739 0.3282 -0.0292 0.0396 0.0003 192 ARG B CB 2878 C CG . ARG B 164 ? 0.5139 0.3210 0.2725 -0.0325 0.0349 -0.0022 192 ARG B CG 2879 C CD . ARG B 164 ? 0.5009 0.2935 0.2489 -0.0416 0.0310 -0.0061 192 ARG B CD 2880 N NE . ARG B 164 ? 0.4651 0.2696 0.2214 -0.0460 0.0250 -0.0083 192 ARG B NE 2881 C CZ . ARG B 164 ? 0.4401 0.2596 0.2103 -0.0527 0.0196 -0.0093 192 ARG B CZ 2882 N NH1 . ARG B 164 ? 0.4277 0.2552 0.2076 -0.0569 0.0189 -0.0085 192 ARG B NH1 2883 N NH2 . ARG B 164 ? 0.4391 0.2665 0.2136 -0.0545 0.0149 -0.0110 192 ARG B NH2 2884 N N . GLN B 165 ? 0.4873 0.3335 0.2797 -0.0256 0.0377 0.0048 194 GLN B N 2885 C CA . GLN B 165 ? 0.4608 0.3287 0.2706 -0.0254 0.0351 0.0057 194 GLN B CA 2886 C C . GLN B 165 ? 0.4168 0.2918 0.2340 -0.0332 0.0294 0.0030 194 GLN B C 2887 O O . GLN B 165 ? 0.4053 0.2795 0.2244 -0.0402 0.0269 0.0016 194 GLN B O 2888 C CB . GLN B 165 ? 0.4964 0.3686 0.3107 -0.0245 0.0369 0.0079 194 GLN B CB 2889 C CG . GLN B 165 ? 0.5602 0.4296 0.3689 -0.0141 0.0423 0.0110 194 GLN B CG 2890 C CD . GLN B 165 ? 0.6324 0.5074 0.4450 -0.0106 0.0445 0.0138 194 GLN B CD 2891 O OE1 . GLN B 165 ? 0.7268 0.6185 0.5502 -0.0057 0.0442 0.0153 194 GLN B OE1 2892 N NE2 . GLN B 165 ? 0.6210 0.4826 0.4250 -0.0135 0.0463 0.0143 194 GLN B NE2 2893 N N . ALA B 166 ? 0.3948 0.2766 0.2157 -0.0317 0.0274 0.0022 195 ALA B N 2894 C CA . ALA B 166 ? 0.3639 0.2513 0.1900 -0.0378 0.0218 -0.0002 195 ALA B CA 2895 C C . ALA B 166 ? 0.3365 0.2361 0.1706 -0.0343 0.0207 0.0003 195 ALA B C 2896 O O . ALA B 166 ? 0.3284 0.2279 0.1600 -0.0280 0.0244 0.0020 195 ALA B O 2897 C CB . ALA B 166 ? 0.3755 0.2465 0.1880 -0.0419 0.0205 -0.0028 195 ALA B CB 2898 N N . GLY B 167 ? 0.3170 0.2277 0.1611 -0.0383 0.0157 -0.0010 196 GLY B N 2899 C CA . GLY B 167 ? 0.2964 0.2179 0.1481 -0.0361 0.0141 -0.0005 196 GLY B CA 2900 C C . GLY B 167 ? 0.2843 0.2176 0.1470 -0.0400 0.0088 -0.0018 196 GLY B C 2901 O O . GLY B 167 ? 0.2808 0.2150 0.1457 -0.0446 0.0063 -0.0031 196 GLY B O 2902 N N . VAL B 168 ? 0.2729 0.2153 0.1425 -0.0382 0.0074 -0.0013 197 VAL B N 2903 C CA . VAL B 168 ? 0.2642 0.2170 0.1433 -0.0404 0.0029 -0.0024 197 VAL B CA 2904 C C . VAL B 168 ? 0.2551 0.2183 0.1438 -0.0389 0.0040 -0.0013 197 VAL B C 2905 O O . VAL B 168 ? 0.2454 0.2085 0.1335 -0.0355 0.0081 0.0003 197 VAL B O 2906 C CB . VAL B 168 ? 0.2781 0.2340 0.1587 -0.0390 0.0012 -0.0022 197 VAL B CB 2907 C CG1 . VAL B 168 ? 0.2987 0.2438 0.1686 -0.0396 0.0008 -0.0028 197 VAL B CG1 2908 C CG2 . VAL B 168 ? 0.2791 0.2404 0.1636 -0.0349 0.0049 -0.0001 197 VAL B CG2 2909 N N . CYS B 169 ? 0.2482 0.2200 0.1448 -0.0411 0.0002 -0.0025 198 CYS B N 2910 C CA . CYS B 169 ? 0.2403 0.2216 0.1451 -0.0401 0.0006 -0.0020 198 CYS B CA 2911 C C . CYS B 169 ? 0.2222 0.2131 0.1350 -0.0402 -0.0035 -0.0032 198 CYS B C 2912 O O . CYS B 169 ? 0.2093 0.1987 0.1208 -0.0408 -0.0064 -0.0041 198 CYS B O 2913 C CB . CYS B 169 ? 0.2526 0.2320 0.1565 -0.0430 0.0017 -0.0020 198 CYS B CB 2914 S SG . CYS B 169 ? 0.2697 0.2563 0.1791 -0.0400 0.0050 -0.0002 198 CYS B SG 2915 N N . PHE B 170 ? 0.2190 0.2188 0.1391 -0.0395 -0.0037 -0.0032 199 PHE B N 2916 C CA . PHE B 170 ? 0.2128 0.2208 0.1394 -0.0383 -0.0069 -0.0042 199 PHE B CA 2917 C C . PHE B 170 ? 0.2224 0.2311 0.1494 -0.0409 -0.0109 -0.0058 199 PHE B C 2918 O O . PHE B 170 ? 0.2371 0.2444 0.1627 -0.0443 -0.0111 -0.0062 199 PHE B O 2919 C CB . PHE B 170 ? 0.2068 0.2235 0.1399 -0.0366 -0.0058 -0.0039 199 PHE B CB 2920 C CG . PHE B 170 ? 0.2053 0.2237 0.1391 -0.0334 -0.0034 -0.0027 199 PHE B CG 2921 C CD1 . PHE B 170 ? 0.2068 0.2298 0.1442 -0.0314 -0.0053 -0.0035 199 PHE B CD1 2922 C CD2 . PHE B 170 ? 0.2022 0.2182 0.1332 -0.0321 0.0004 -0.0010 199 PHE B CD2 2923 C CE1 . PHE B 170 ? 0.1981 0.2245 0.1371 -0.0290 -0.0036 -0.0027 199 PHE B CE1 2924 C CE2 . PHE B 170 ? 0.1965 0.2162 0.1290 -0.0287 0.0021 0.0000 199 PHE B CE2 2925 C CZ . PHE B 170 ? 0.1916 0.2170 0.1284 -0.0276 0.0000 -0.0009 199 PHE B CZ 2926 N N . GLY B 171 ? 0.2189 0.2297 0.1474 -0.0394 -0.0143 -0.0067 200 GLY B N 2927 C CA . GLY B 171 ? 0.2256 0.2375 0.1538 -0.0410 -0.0187 -0.0081 200 GLY B CA 2928 C C . GLY B 171 ? 0.2252 0.2272 0.1449 -0.0424 -0.0198 -0.0083 200 GLY B C 2929 O O . GLY B 171 ? 0.2278 0.2296 0.1459 -0.0426 -0.0237 -0.0093 200 GLY B O 2930 N N . ASP B 172 ? 0.2214 0.2151 0.1350 -0.0429 -0.0161 -0.0072 201 ASP B N 2931 C CA . ASP B 172 ? 0.2217 0.2055 0.1263 -0.0434 -0.0164 -0.0071 201 ASP B CA 2932 C C . ASP B 172 ? 0.2321 0.2141 0.1355 -0.0406 -0.0159 -0.0061 201 ASP B C 2933 O O . ASP B 172 ? 0.2326 0.2069 0.1285 -0.0405 -0.0165 -0.0059 201 ASP B O 2934 C CB . ASP B 172 ? 0.2272 0.2028 0.1252 -0.0443 -0.0122 -0.0063 201 ASP B CB 2935 C CG . ASP B 172 ? 0.2297 0.2037 0.1263 -0.0483 -0.0126 -0.0074 201 ASP B CG 2936 O OD1 . ASP B 172 ? 0.2276 0.2052 0.1260 -0.0510 -0.0170 -0.0090 201 ASP B OD1 2937 O OD2 . ASP B 172 ? 0.2246 0.1943 0.1186 -0.0484 -0.0084 -0.0064 201 ASP B OD2 2938 N N . SER B 173 ? 0.2186 0.2069 0.1285 -0.0386 -0.0147 -0.0055 202 SER B N 2939 C CA . SER B 173 ? 0.2232 0.2102 0.1327 -0.0370 -0.0146 -0.0047 202 SER B CA 2940 C C . SER B 173 ? 0.2215 0.2039 0.1264 -0.0368 -0.0185 -0.0053 202 SER B C 2941 O O . SER B 173 ? 0.2140 0.1995 0.1206 -0.0365 -0.0225 -0.0067 202 SER B O 2942 C CB . SER B 173 ? 0.2133 0.2080 0.1303 -0.0355 -0.0151 -0.0051 202 SER B CB 2943 O OG . SER B 173 ? 0.2054 0.2045 0.1261 -0.0350 -0.0118 -0.0043 202 SER B OG 2944 N N . GLY B 174 ? 0.2265 0.2021 0.1256 -0.0366 -0.0171 -0.0041 203 GLY B N 2945 C CA . GLY B 174 ? 0.2377 0.2071 0.1307 -0.0360 -0.0201 -0.0041 203 GLY B CA 2946 C C . GLY B 174 ? 0.2506 0.2134 0.1353 -0.0367 -0.0220 -0.0045 203 GLY B C 2947 O O . GLY B 174 ? 0.2454 0.2023 0.1237 -0.0357 -0.0243 -0.0042 203 GLY B O 2948 N N . SER B 175 ? 0.2595 0.2221 0.1431 -0.0384 -0.0208 -0.0052 204 SER B N 2949 C CA . SER B 175 ? 0.2644 0.2215 0.1404 -0.0397 -0.0233 -0.0063 204 SER B CA 2950 C C . SER B 175 ? 0.2786 0.2252 0.1444 -0.0394 -0.0200 -0.0050 204 SER B C 2951 O O . SER B 175 ? 0.2719 0.2177 0.1383 -0.0387 -0.0150 -0.0033 204 SER B O 2952 C CB . SER B 175 ? 0.2606 0.2207 0.1392 -0.0424 -0.0231 -0.0077 204 SER B CB 2953 O OG . SER B 175 ? 0.2584 0.2295 0.1476 -0.0426 -0.0249 -0.0085 204 SER B OG 2954 N N . PRO B 176 ? 0.2963 0.2353 0.1523 -0.0397 -0.0225 -0.0056 205 PRO B N 2955 C CA . PRO B 176 ? 0.3056 0.2340 0.1505 -0.0389 -0.0191 -0.0043 205 PRO B CA 2956 C C . PRO B 176 ? 0.3161 0.2399 0.1567 -0.0399 -0.0152 -0.0046 205 PRO B C 2957 O O . PRO B 176 ? 0.3172 0.2433 0.1607 -0.0420 -0.0162 -0.0063 205 PRO B O 2958 C CB . PRO B 176 ? 0.3177 0.2404 0.1538 -0.0388 -0.0240 -0.0054 205 PRO B CB 2959 C CG . PRO B 176 ? 0.3161 0.2461 0.1579 -0.0410 -0.0293 -0.0080 205 PRO B CG 2960 C CD . PRO B 176 ? 0.3075 0.2482 0.1623 -0.0403 -0.0289 -0.0075 205 PRO B CD 2961 N N . LEU B 177 ? 0.3181 0.2357 0.1523 -0.0382 -0.0100 -0.0027 206 LEU B N 2962 C CA . LEU B 177 ? 0.3274 0.2371 0.1532 -0.0376 -0.0059 -0.0027 206 LEU B CA 2963 C C . LEU B 177 ? 0.3489 0.2481 0.1614 -0.0369 -0.0070 -0.0028 206 LEU B C 2964 O O . LEU B 177 ? 0.3538 0.2516 0.1638 -0.0353 -0.0054 -0.0007 206 LEU B O 2965 C CB . LEU B 177 ? 0.3196 0.2321 0.1485 -0.0351 0.0007 0.0000 206 LEU B CB 2966 C CG . LEU B 177 ? 0.3319 0.2360 0.1512 -0.0330 0.0058 0.0003 206 LEU B CG 2967 C CD1 . LEU B 177 ? 0.3308 0.2329 0.1501 -0.0340 0.0056 -0.0015 206 LEU B CD1 2968 C CD2 . LEU B 177 ? 0.3366 0.2451 0.1589 -0.0298 0.0125 0.0033 206 LEU B CD2 2969 N N . VAL B 178 ? 0.3725 0.2637 0.1756 -0.0383 -0.0095 -0.0052 207 VAL B N 2970 C CA . VAL B 178 ? 0.3872 0.2673 0.1757 -0.0376 -0.0110 -0.0057 207 VAL B CA 2971 C C . VAL B 178 ? 0.3928 0.2615 0.1690 -0.0357 -0.0054 -0.0055 207 VAL B C 2972 O O . VAL B 178 ? 0.3822 0.2466 0.1555 -0.0367 -0.0043 -0.0071 207 VAL B O 2973 C CB . VAL B 178 ? 0.4120 0.2908 0.1973 -0.0408 -0.0185 -0.0091 207 VAL B CB 2974 C CG1 . VAL B 178 ? 0.4524 0.3217 0.2237 -0.0396 -0.0212 -0.0095 207 VAL B CG1 2975 C CG2 . VAL B 178 ? 0.4054 0.2971 0.2041 -0.0422 -0.0237 -0.0096 207 VAL B CG2 2976 N N . CYS B 179 ? 0.4042 0.2673 0.1721 -0.0327 -0.0015 -0.0033 208 CYS B N 2977 C CA . CYS B 179 ? 0.4120 0.2645 0.1673 -0.0298 0.0042 -0.0028 208 CYS B CA 2978 C C . CYS B 179 ? 0.4294 0.2717 0.1700 -0.0285 0.0029 -0.0028 208 CYS B C 2979 O O . CYS B 179 ? 0.4114 0.2563 0.1531 -0.0279 0.0023 -0.0007 208 CYS B O 2980 C CB . CYS B 179 ? 0.4057 0.2636 0.1664 -0.0264 0.0121 0.0005 208 CYS B CB 2981 S SG . CYS B 179 ? 0.3946 0.2676 0.1745 -0.0271 0.0137 0.0015 208 CYS B SG 2982 N N . ASN B 180 ? 0.4484 0.2779 0.1741 -0.0282 0.0025 -0.0052 209 ASN B N 2983 C CA . ASN B 180 ? 0.4699 0.2881 0.1792 -0.0267 0.0011 -0.0057 209 ASN B CA 2984 C C . ASN B 180 ? 0.4612 0.2829 0.1722 -0.0289 -0.0067 -0.0064 209 ASN B C 2985 O O . ASN B 180 ? 0.4579 0.2771 0.1631 -0.0268 -0.0064 -0.0042 209 ASN B O 2986 C CB . ASN B 180 ? 0.4758 0.2910 0.1789 -0.0222 0.0086 -0.0019 209 ASN B CB 2987 C CG . ASN B 180 ? 0.4911 0.3043 0.1926 -0.0189 0.0166 -0.0007 209 ASN B CG 2988 O OD1 . ASN B 180 ? 0.5063 0.3109 0.1997 -0.0184 0.0170 -0.0033 209 ASN B OD1 2989 N ND2 . ASN B 180 ? 0.4894 0.3114 0.1993 -0.0165 0.0231 0.0031 209 ASN B ND2 2990 N N . GLY B 181 ? 0.4346 0.2674 0.1596 -0.0331 -0.0139 -0.0085 214 GLY B N 2991 C CA . GLY B 181 ? 0.4474 0.2840 0.1734 -0.0335 -0.0207 -0.0087 214 GLY B CA 2992 C C . GLY B 181 ? 0.4349 0.2804 0.1718 -0.0319 -0.0195 -0.0053 214 GLY B C 2993 O O . GLY B 181 ? 0.4361 0.2853 0.1752 -0.0316 -0.0249 -0.0052 214 GLY B O 2994 N N . LEU B 182 ? 0.4302 0.2796 0.1743 -0.0309 -0.0125 -0.0027 215 LEU B N 2995 C CA . LEU B 182 ? 0.4206 0.2761 0.1726 -0.0300 -0.0113 0.0004 215 LEU B CA 2996 C C . LEU B 182 ? 0.3849 0.2528 0.1542 -0.0315 -0.0096 0.0008 215 LEU B C 2997 O O . LEU B 182 ? 0.3755 0.2454 0.1484 -0.0321 -0.0066 0.0000 215 LEU B O 2998 C CB . LEU B 182 ? 0.4402 0.2896 0.1844 -0.0276 -0.0042 0.0039 215 LEU B CB 2999 C CG . LEU B 182 ? 0.4654 0.3039 0.1942 -0.0255 -0.0040 0.0057 215 LEU B CG 3000 C CD1 . LEU B 182 ? 0.4791 0.3110 0.1973 -0.0248 -0.0114 0.0039 215 LEU B CD1 3001 C CD2 . LEU B 182 ? 0.4742 0.3062 0.1938 -0.0234 0.0040 0.0078 215 LEU B CD2 3002 N N . ILE B 183 ? 0.3645 0.2394 0.1431 -0.0318 -0.0116 0.0019 216 ILE B N 3003 C CA . ILE B 183 ? 0.3542 0.2406 0.1483 -0.0331 -0.0109 0.0019 216 ILE B CA 3004 C C . ILE B 183 ? 0.3614 0.2501 0.1593 -0.0327 -0.0036 0.0049 216 ILE B C 3005 O O . ILE B 183 ? 0.3643 0.2526 0.1626 -0.0326 -0.0020 0.0074 216 ILE B O 3006 C CB . ILE B 183 ? 0.3375 0.2302 0.1395 -0.0333 -0.0165 0.0015 216 ILE B CB 3007 C CG1 . ILE B 183 ? 0.3458 0.2369 0.1429 -0.0331 -0.0238 -0.0010 216 ILE B CG1 3008 C CG2 . ILE B 183 ? 0.3179 0.2223 0.1351 -0.0346 -0.0164 0.0006 216 ILE B CG2 3009 C CD1 . ILE B 183 ? 0.3414 0.2345 0.1393 -0.0354 -0.0260 -0.0041 216 ILE B CD1 3010 N N . HIS B 184 ? 0.3497 0.2405 0.1498 -0.0323 0.0008 0.0048 217 HIS B N 3011 C CA . HIS B 184 ? 0.3547 0.2499 0.1593 -0.0316 0.0075 0.0076 217 HIS B CA 3012 C C . HIS B 184 ? 0.3286 0.2364 0.1487 -0.0328 0.0082 0.0078 217 HIS B C 3013 O O . HIS B 184 ? 0.3138 0.2275 0.1394 -0.0327 0.0129 0.0100 217 HIS B O 3014 C CB . HIS B 184 ? 0.3753 0.2659 0.1725 -0.0293 0.0130 0.0080 217 HIS B CB 3015 C CG . HIS B 184 ? 0.4087 0.2882 0.1910 -0.0275 0.0155 0.0092 217 HIS B CG 3016 N ND1 . HIS B 184 ? 0.4267 0.3067 0.2068 -0.0262 0.0221 0.0125 217 HIS B ND1 3017 C CD2 . HIS B 184 ? 0.4259 0.2937 0.1940 -0.0266 0.0132 0.0074 217 HIS B CD2 3018 C CE1 . HIS B 184 ? 0.4348 0.3037 0.1999 -0.0241 0.0239 0.0130 217 HIS B CE1 3019 N NE2 . HIS B 184 ? 0.4424 0.3034 0.1997 -0.0243 0.0182 0.0097 217 HIS B NE2 3020 N N . GLY B 185 ? 0.3241 0.2365 0.1510 -0.0339 0.0033 0.0054 218 GLY B N 3021 C CA . GLY B 185 ? 0.3005 0.2242 0.1409 -0.0346 0.0038 0.0053 218 GLY B CA 3022 C C . GLY B 185 ? 0.2912 0.2191 0.1379 -0.0358 -0.0021 0.0034 218 GLY B C 3023 O O . GLY B 185 ? 0.2930 0.2170 0.1352 -0.0362 -0.0069 0.0016 218 GLY B O 3024 N N . ILE B 186 ? 0.2827 0.2196 0.1401 -0.0363 -0.0017 0.0037 219 ILE B N 3025 C CA . ILE B 186 ? 0.2682 0.2114 0.1335 -0.0369 -0.0063 0.0019 219 ILE B CA 3026 C C . ILE B 186 ? 0.2578 0.2098 0.1321 -0.0367 -0.0038 0.0018 219 ILE B C 3027 O O . ILE B 186 ? 0.2594 0.2162 0.1383 -0.0366 -0.0002 0.0033 219 ILE B O 3028 C CB . ILE B 186 ? 0.2704 0.2142 0.1380 -0.0372 -0.0081 0.0026 219 ILE B CB 3029 C CG1 . ILE B 186 ? 0.2880 0.2218 0.1451 -0.0368 -0.0101 0.0032 219 ILE B CG1 3030 C CG2 . ILE B 186 ? 0.2629 0.2136 0.1388 -0.0370 -0.0125 0.0007 219 ILE B CG2 3031 C CD1 . ILE B 186 ? 0.2939 0.2255 0.1512 -0.0373 -0.0103 0.0046 219 ILE B CD1 3032 N N . ALA B 187 ? 0.2535 0.2084 0.1309 -0.0370 -0.0059 0.0000 220 ALA B N 3033 C CA . ALA B 187 ? 0.2464 0.2082 0.1307 -0.0365 -0.0035 0.0001 220 ALA B CA 3034 C C . ALA B 187 ? 0.2388 0.2096 0.1324 -0.0362 -0.0033 0.0005 220 ALA B C 3035 O O . ALA B 187 ? 0.2432 0.2168 0.1406 -0.0366 -0.0071 -0.0004 220 ALA B O 3036 C CB . ALA B 187 ? 0.2486 0.2111 0.1339 -0.0376 -0.0060 -0.0017 220 ALA B CB 3037 N N . SER B 188 ? 0.2351 0.2099 0.1313 -0.0351 0.0009 0.0021 221 SER B N 3038 C CA . SER B 188 ? 0.2231 0.2065 0.1274 -0.0353 0.0014 0.0026 221 SER B CA 3039 C C . SER B 188 ? 0.2174 0.2092 0.1284 -0.0337 0.0027 0.0025 221 SER B C 3040 O O . SER B 188 ? 0.2127 0.2103 0.1297 -0.0340 0.0002 0.0014 221 SER B O 3041 C CB . SER B 188 ? 0.2253 0.2093 0.1287 -0.0358 0.0049 0.0047 221 SER B CB 3042 O OG . SER B 188 ? 0.2149 0.2062 0.1257 -0.0374 0.0040 0.0046 221 SER B OG 3043 N N . PHE B 189 ? 0.2187 0.2111 0.1281 -0.0316 0.0067 0.0039 222 PHE B N 3044 C CA . PHE B 189 ? 0.2165 0.2164 0.1312 -0.0294 0.0080 0.0041 222 PHE B CA 3045 C C . PHE B 189 ? 0.2310 0.2267 0.1404 -0.0266 0.0117 0.0052 222 PHE B C 3046 O O . PHE B 189 ? 0.2401 0.2289 0.1424 -0.0258 0.0143 0.0061 222 PHE B O 3047 C CB . PHE B 189 ? 0.2067 0.2171 0.1287 -0.0288 0.0090 0.0050 222 PHE B CB 3048 C CG . PHE B 189 ? 0.2062 0.2185 0.1272 -0.0281 0.0129 0.0070 222 PHE B CG 3049 C CD1 . PHE B 189 ? 0.2146 0.2251 0.1347 -0.0310 0.0126 0.0074 222 PHE B CD1 3050 C CD2 . PHE B 189 ? 0.2103 0.2266 0.1311 -0.0243 0.0169 0.0087 222 PHE B CD2 3051 C CE1 . PHE B 189 ? 0.2189 0.2328 0.1389 -0.0307 0.0168 0.0096 222 PHE B CE1 3052 C CE2 . PHE B 189 ? 0.2115 0.2309 0.1317 -0.0229 0.0209 0.0108 222 PHE B CE2 3053 C CZ . PHE B 189 ? 0.2171 0.2365 0.1377 -0.0264 0.0210 0.0113 222 PHE B CZ 3054 N N . VAL B 190 ? 0.2311 0.2308 0.1434 -0.0247 0.0123 0.0053 223 VAL B N 3055 C CA . VAL B 190 ? 0.2474 0.2424 0.1540 -0.0213 0.0162 0.0067 223 VAL B CA 3056 C C . VAL B 190 ? 0.2484 0.2533 0.1601 -0.0172 0.0187 0.0084 223 VAL B C 3057 O O . VAL B 190 ? 0.2399 0.2547 0.1594 -0.0178 0.0167 0.0080 223 VAL B O 3058 C CB . VAL B 190 ? 0.2420 0.2306 0.1453 -0.0226 0.0152 0.0057 223 VAL B CB 3059 C CG1 . VAL B 190 ? 0.2457 0.2259 0.1441 -0.0266 0.0124 0.0039 223 VAL B CG1 3060 C CG2 . VAL B 190 ? 0.2339 0.2312 0.1451 -0.0233 0.0127 0.0049 223 VAL B CG2 3061 N N . ARG B 191 ? 0.2768 0.2784 0.1832 -0.0129 0.0228 0.0101 224 ARG B N 3062 C CA . ARG B 191 ? 0.3063 0.3167 0.2158 -0.0076 0.0256 0.0121 224 ARG B CA 3063 C C . ARG B 191 ? 0.2950 0.2982 0.1980 -0.0039 0.0280 0.0130 224 ARG B C 3064 O O . ARG B 191 ? 0.3037 0.2940 0.1976 -0.0043 0.0294 0.0128 224 ARG B O 3065 C CB . ARG B 191 ? 0.3518 0.3634 0.2590 -0.0047 0.0293 0.0138 224 ARG B CB 3066 C CG . ARG B 191 ? 0.4053 0.4325 0.3208 -0.0016 0.0304 0.0153 224 ARG B CG 3067 C CD . ARG B 191 ? 0.4451 0.4762 0.3584 0.0060 0.0348 0.0178 224 ARG B CD 3068 N NE . ARG B 191 ? 0.4456 0.4793 0.3575 0.0084 0.0386 0.0195 224 ARG B NE 3069 C CZ . ARG B 191 ? 0.4612 0.5051 0.3752 0.0148 0.0424 0.0219 224 ARG B CZ 3070 N NH1 . ARG B 191 ? 0.4988 0.5525 0.4167 0.0200 0.0426 0.0231 224 ARG B NH1 3071 N NH2 . ARG B 191 ? 0.4099 0.4553 0.3223 0.0162 0.0460 0.0232 224 ARG B NH2 3072 N N . GLY B 192 ? 0.2819 0.2922 0.1886 -0.0009 0.0280 0.0139 225 GLY B N 3073 C CA . GLY B 192 ? 0.2832 0.2862 0.1835 0.0022 0.0301 0.0150 225 GLY B CA 3074 C C . GLY B 192 ? 0.2827 0.2780 0.1813 -0.0034 0.0276 0.0132 225 GLY B C 3075 O O . GLY B 192 ? 0.3119 0.2960 0.2025 -0.0031 0.0296 0.0138 225 GLY B O 3076 N N . GLY B 193 ? 0.2660 0.2665 0.1715 -0.0086 0.0235 0.0111 226 GLY B N 3077 C CA . GLY B 193 ? 0.2662 0.2625 0.1719 -0.0138 0.0207 0.0093 226 GLY B CA 3078 C C . GLY B 193 ? 0.2715 0.2556 0.1699 -0.0175 0.0206 0.0082 226 GLY B C 3079 O O . GLY B 193 ? 0.2755 0.2536 0.1679 -0.0156 0.0228 0.0088 226 GLY B O 3080 N N . CYS B 194 ? 0.2634 0.2441 0.1618 -0.0224 0.0181 0.0066 227 CYS B N 3081 C CA . CYS B 194 ? 0.2750 0.2444 0.1661 -0.0265 0.0173 0.0052 227 CYS B CA 3082 C C . CYS B 194 ? 0.2911 0.2466 0.1706 -0.0250 0.0214 0.0063 227 CYS B C 3083 O O . CYS B 194 ? 0.2965 0.2497 0.1737 -0.0230 0.0241 0.0079 227 CYS B O 3084 C CB . CYS B 194 ? 0.2767 0.2480 0.1716 -0.0320 0.0138 0.0034 227 CYS B CB 3085 S SG . CYS B 194 ? 0.2617 0.2476 0.1687 -0.0330 0.0091 0.0020 227 CYS B SG 3086 N N . ALA B 195 ? 0.3044 0.2500 0.1756 -0.0250 0.0223 0.0058 228 ALA B N 3087 C CA . ALA B 195 ? 0.3210 0.2503 0.1789 -0.0245 0.0255 0.0061 228 ALA B CA 3088 C C . ALA B 195 ? 0.3323 0.2585 0.1856 -0.0177 0.0306 0.0088 228 ALA B C 3089 O O . ALA B 195 ? 0.3646 0.2799 0.2099 -0.0177 0.0331 0.0096 228 ALA B O 3090 C CB . ALA B 195 ? 0.3328 0.2551 0.1879 -0.0313 0.0236 0.0045 228 ALA B CB 3091 N N . SER B 196 ? 0.3719 0.3094 0.2309 -0.0113 0.0322 0.0105 230 SER B N 3092 C CA . SER B 196 ? 0.3938 0.3310 0.2495 -0.0040 0.0366 0.0132 230 SER B CA 3093 C C . SER B 196 ? 0.4486 0.3690 0.2895 -0.0001 0.0410 0.0141 230 SER B C 3094 O O . SER B 196 ? 0.4500 0.3655 0.2854 0.0047 0.0443 0.0161 230 SER B O 3095 C CB . SER B 196 ? 0.3749 0.3274 0.2391 0.0013 0.0373 0.0147 230 SER B CB 3096 O OG . SER B 196 ? 0.3646 0.3172 0.2274 0.0019 0.0380 0.0144 230 SER B OG 3097 N N . GLY B 197 ? 0.4899 0.4011 0.3234 -0.0014 0.0412 0.0127 231 GLY B N 3098 C CA . GLY B 197 ? 0.5312 0.4248 0.3487 0.0031 0.0458 0.0134 231 GLY B CA 3099 C C . GLY B 197 ? 0.5693 0.4702 0.3874 0.0126 0.0499 0.0159 231 GLY B C 3100 O O . GLY B 197 ? 0.6796 0.5690 0.4857 0.0190 0.0545 0.0171 231 GLY B O 3101 N N . LEU B 198 ? 0.5584 0.4784 0.3902 0.0132 0.0483 0.0166 232 LEU B N 3102 C CA . LEU B 198 ? 0.5508 0.4834 0.3874 0.0212 0.0515 0.0192 232 LEU B CA 3103 C C . LEU B 198 ? 0.5206 0.4682 0.3676 0.0195 0.0501 0.0189 232 LEU B C 3104 O O . LEU B 198 ? 0.5345 0.4876 0.3812 0.0253 0.0537 0.0207 232 LEU B O 3105 C CB . LEU B 198 ? 0.5981 0.5413 0.4429 0.0228 0.0504 0.0205 232 LEU B CB 3106 C CG . LEU B 198 ? 0.6857 0.6310 0.5268 0.0329 0.0548 0.0236 232 LEU B CG 3107 C CD1 . LEU B 198 ? 0.6664 0.6203 0.5143 0.0335 0.0529 0.0246 232 LEU B CD1 3108 C CD2 . LEU B 198 ? 0.7054 0.6659 0.5533 0.0379 0.0566 0.0249 232 LEU B CD2 3109 N N . TYR B 199 ? 0.4205 0.3745 0.2764 0.0117 0.0451 0.0170 233 TYR B N 3110 C CA . TYR B 199 ? 0.3928 0.3587 0.2576 0.0092 0.0436 0.0168 233 TYR B CA 3111 C C . TYR B 199 ? 0.3652 0.3224 0.2265 0.0024 0.0404 0.0144 233 TYR B C 3112 O O . TYR B 199 ? 0.3486 0.2992 0.2087 -0.0027 0.0367 0.0123 233 TYR B O 3113 C CB . TYR B 199 ? 0.3770 0.3600 0.2562 0.0071 0.0402 0.0168 233 TYR B CB 3114 C CG . TYR B 199 ? 0.4031 0.3957 0.2857 0.0139 0.0427 0.0191 233 TYR B CG 3115 C CD1 . TYR B 199 ? 0.4172 0.4170 0.2999 0.0204 0.0469 0.0214 233 TYR B CD1 3116 C CD2 . TYR B 199 ? 0.4377 0.4320 0.3225 0.0145 0.0411 0.0191 233 TYR B CD2 3117 C CE1 . TYR B 199 ? 0.4596 0.4688 0.3451 0.0275 0.0489 0.0236 233 TYR B CE1 3118 C CE2 . TYR B 199 ? 0.4457 0.4484 0.3326 0.0214 0.0432 0.0214 233 TYR B CE2 3119 C CZ . TYR B 199 ? 0.4563 0.4669 0.3440 0.0278 0.0467 0.0235 233 TYR B CZ 3120 O OH . TYR B 199 ? 0.5334 0.5524 0.4227 0.0350 0.0483 0.0256 233 TYR B OH 3121 N N . PRO B 200 ? 0.3396 0.2983 0.2003 0.0021 0.0414 0.0146 234 PRO B N 3122 C CA . PRO B 200 ? 0.3395 0.2906 0.1968 -0.0040 0.0379 0.0125 234 PRO B CA 3123 C C . PRO B 200 ? 0.3039 0.2632 0.1715 -0.0099 0.0324 0.0110 234 PRO B C 3124 O O . PRO B 200 ? 0.2974 0.2697 0.1756 -0.0097 0.0315 0.0117 234 PRO B O 3125 C CB . PRO B 200 ? 0.3542 0.3052 0.2076 -0.0019 0.0413 0.0137 234 PRO B CB 3126 C CG . PRO B 200 ? 0.3427 0.3099 0.2056 0.0025 0.0446 0.0164 234 PRO B CG 3127 C CD . PRO B 200 ? 0.3474 0.3152 0.2103 0.0070 0.0458 0.0170 234 PRO B CD 3128 N N . ASP B 201 ? 0.2905 0.2421 0.1545 -0.0149 0.0286 0.0089 235 ASP B N 3129 C CA . ASP B 201 ? 0.2750 0.2331 0.1473 -0.0198 0.0234 0.0075 235 ASP B CA 3130 C C . ASP B 201 ? 0.2654 0.2269 0.1391 -0.0207 0.0236 0.0083 235 ASP B C 3131 O O . ASP B 201 ? 0.2680 0.2224 0.1332 -0.0192 0.0264 0.0090 235 ASP B O 3132 C CB . ASP B 201 ? 0.2817 0.2309 0.1491 -0.0242 0.0191 0.0050 235 ASP B CB 3133 C CG . ASP B 201 ? 0.2937 0.2392 0.1601 -0.0252 0.0185 0.0040 235 ASP B CG 3134 O OD1 . ASP B 201 ? 0.2819 0.2335 0.1531 -0.0226 0.0205 0.0053 235 ASP B OD1 3135 O OD2 . ASP B 201 ? 0.3068 0.2439 0.1675 -0.0290 0.0157 0.0021 235 ASP B OD2 3136 N N . ALA B 202 ? 0.2431 0.2132 0.1258 -0.0235 0.0204 0.0079 236 ALA B N 3137 C CA . ALA B 202 ? 0.2439 0.2177 0.1288 -0.0249 0.0208 0.0089 236 ALA B CA 3138 C C . ALA B 202 ? 0.2394 0.2095 0.1239 -0.0289 0.0158 0.0074 236 ALA B C 3139 O O . ALA B 202 ? 0.2395 0.2126 0.1292 -0.0306 0.0117 0.0057 236 ALA B O 3140 C CB . ALA B 202 ? 0.2361 0.2237 0.1318 -0.0245 0.0218 0.0101 236 ALA B CB 3141 N N . PHE B 203 ? 0.2492 0.2129 0.1271 -0.0297 0.0164 0.0080 237 PHE B N 3142 C CA . PHE B 203 ? 0.2573 0.2161 0.1327 -0.0326 0.0120 0.0069 237 PHE B CA 3143 C C . PHE B 203 ? 0.2598 0.2206 0.1366 -0.0341 0.0134 0.0087 237 PHE B C 3144 O O . PHE B 203 ? 0.2572 0.2195 0.1326 -0.0332 0.0182 0.0108 237 PHE B O 3145 C CB . PHE B 203 ? 0.2712 0.2175 0.1341 -0.0322 0.0116 0.0062 237 PHE B CB 3146 C CG . PHE B 203 ? 0.2761 0.2183 0.1362 -0.0321 0.0095 0.0041 237 PHE B CG 3147 C CD1 . PHE B 203 ? 0.2746 0.2152 0.1323 -0.0298 0.0132 0.0045 237 PHE B CD1 3148 C CD2 . PHE B 203 ? 0.2788 0.2192 0.1388 -0.0344 0.0038 0.0019 237 PHE B CD2 3149 C CE1 . PHE B 203 ? 0.2833 0.2186 0.1374 -0.0307 0.0115 0.0026 237 PHE B CE1 3150 C CE2 . PHE B 203 ? 0.2742 0.2122 0.1328 -0.0355 0.0019 0.0000 237 PHE B CE2 3151 C CZ . PHE B 203 ? 0.2768 0.2119 0.1326 -0.0341 0.0058 0.0004 237 PHE B CZ 3152 N N . ALA B 204 ? 0.2646 0.2245 0.1433 -0.0364 0.0092 0.0078 238 ALA B N 3153 C CA . ALA B 204 ? 0.2695 0.2278 0.1470 -0.0386 0.0100 0.0094 238 ALA B CA 3154 C C . ALA B 204 ? 0.2828 0.2303 0.1480 -0.0379 0.0124 0.0109 238 ALA B C 3155 O O . ALA B 204 ? 0.2867 0.2256 0.1435 -0.0368 0.0096 0.0096 238 ALA B O 3156 C CB . ALA B 204 ? 0.2631 0.2200 0.1428 -0.0404 0.0048 0.0080 238 ALA B CB 3157 N N . PRO B 205 ? 0.2838 0.2323 0.1478 -0.0388 0.0172 0.0135 239 PRO B N 3158 C CA . PRO B 205 ? 0.3044 0.2437 0.1566 -0.0375 0.0204 0.0151 239 PRO B CA 3159 C C . PRO B 205 ? 0.3103 0.2399 0.1548 -0.0392 0.0177 0.0156 239 PRO B C 3160 O O . PRO B 205 ? 0.3188 0.2479 0.1634 -0.0420 0.0199 0.0178 239 PRO B O 3161 C CB . PRO B 205 ? 0.3098 0.2566 0.1654 -0.0376 0.0272 0.0180 239 PRO B CB 3162 C CG . PRO B 205 ? 0.3005 0.2579 0.1683 -0.0412 0.0264 0.0182 239 PRO B CG 3163 C CD . PRO B 205 ? 0.2898 0.2492 0.1631 -0.0406 0.0206 0.0151 239 PRO B CD 3164 N N . VAL B 206 ? 0.3150 0.2365 0.1523 -0.0378 0.0131 0.0137 240 VAL B N 3165 C CA . VAL B 206 ? 0.3309 0.2429 0.1603 -0.0384 0.0094 0.0139 240 VAL B CA 3166 C C . VAL B 206 ? 0.3415 0.2461 0.1614 -0.0389 0.0142 0.0172 240 VAL B C 3167 O O . VAL B 206 ? 0.3587 0.2587 0.1762 -0.0409 0.0135 0.0187 240 VAL B O 3168 C CB . VAL B 206 ? 0.3373 0.2429 0.1596 -0.0363 0.0039 0.0115 240 VAL B CB 3169 C CG1 . VAL B 206 ? 0.3583 0.2535 0.1703 -0.0357 0.0004 0.0122 240 VAL B CG1 3170 C CG2 . VAL B 206 ? 0.3227 0.2358 0.1545 -0.0363 -0.0008 0.0085 240 VAL B CG2 3171 N N . ALA B 207 ? 0.3387 0.2419 0.1530 -0.0372 0.0192 0.0183 241 ALA B N 3172 C CA . ALA B 207 ? 0.3607 0.2574 0.1656 -0.0375 0.0244 0.0217 241 ALA B CA 3173 C C . ALA B 207 ? 0.3551 0.2583 0.1675 -0.0416 0.0287 0.0246 241 ALA B C 3174 O O . ALA B 207 ? 0.3695 0.2662 0.1747 -0.0432 0.0316 0.0274 241 ALA B O 3175 C CB . ALA B 207 ? 0.3600 0.2545 0.1572 -0.0342 0.0298 0.0224 241 ALA B CB 3176 N N . GLN B 208 ? 0.3529 0.2684 0.1795 -0.0437 0.0286 0.0239 242 GLN B N 3177 C CA . GLN B 208 ? 0.3467 0.2686 0.1807 -0.0486 0.0318 0.0262 242 GLN B CA 3178 C C . GLN B 208 ? 0.3580 0.2719 0.1898 -0.0518 0.0274 0.0260 242 GLN B C 3179 O O . GLN B 208 ? 0.3534 0.2674 0.1867 -0.0564 0.0301 0.0282 242 GLN B O 3180 C CB . GLN B 208 ? 0.3385 0.2769 0.1873 -0.0495 0.0337 0.0257 242 GLN B CB 3181 C CG . GLN B 208 ? 0.3437 0.2890 0.1928 -0.0455 0.0394 0.0268 242 GLN B CG 3182 C CD . GLN B 208 ? 0.3429 0.3047 0.2061 -0.0451 0.0407 0.0262 242 GLN B CD 3183 O OE1 . GLN B 208 ? 0.3755 0.3418 0.2396 -0.0403 0.0427 0.0256 242 GLN B OE1 3184 N NE2 . GLN B 208 ? 0.3285 0.2982 0.2015 -0.0497 0.0393 0.0262 242 GLN B NE2 3185 N N . PHE B 209 ? 0.3559 0.2617 0.1825 -0.0492 0.0210 0.0237 243 PHE B N 3186 C CA . PHE B 209 ? 0.3493 0.2483 0.1746 -0.0507 0.0160 0.0229 243 PHE B CA 3187 C C . PHE B 209 ? 0.3545 0.2385 0.1653 -0.0481 0.0130 0.0235 243 PHE B C 3188 O O . PHE B 209 ? 0.3583 0.2357 0.1664 -0.0475 0.0081 0.0226 243 PHE B O 3189 C CB . PHE B 209 ? 0.3430 0.2493 0.1779 -0.0491 0.0103 0.0191 243 PHE B CB 3190 C CG . PHE B 209 ? 0.3374 0.2581 0.1858 -0.0508 0.0125 0.0183 243 PHE B CG 3191 C CD1 . PHE B 209 ? 0.3460 0.2720 0.2010 -0.0557 0.0152 0.0197 243 PHE B CD1 3192 C CD2 . PHE B 209 ? 0.3356 0.2647 0.1900 -0.0479 0.0116 0.0163 243 PHE B CD2 3193 C CE1 . PHE B 209 ? 0.3472 0.2878 0.2147 -0.0570 0.0169 0.0189 243 PHE B CE1 3194 C CE2 . PHE B 209 ? 0.3259 0.2679 0.1915 -0.0488 0.0139 0.0160 243 PHE B CE2 3195 C CZ . PHE B 209 ? 0.3340 0.2826 0.2066 -0.0531 0.0164 0.0172 243 PHE B CZ 3196 N N . VAL B 210 ? 0.3591 0.2375 0.1599 -0.0460 0.0157 0.0250 244 VAL B N 3197 C CA . VAL B 210 ? 0.3785 0.2436 0.1650 -0.0427 0.0120 0.0251 244 VAL B CA 3198 C C . VAL B 210 ? 0.3942 0.2481 0.1728 -0.0447 0.0127 0.0280 244 VAL B C 3199 O O . VAL B 210 ? 0.3952 0.2403 0.1668 -0.0421 0.0073 0.0273 244 VAL B O 3200 C CB . VAL B 210 ? 0.3886 0.2499 0.1651 -0.0401 0.0154 0.0260 244 VAL B CB 3201 C CG1 . VAL B 210 ? 0.4077 0.2537 0.1664 -0.0375 0.0140 0.0277 244 VAL B CG1 3202 C CG2 . VAL B 210 ? 0.3795 0.2473 0.1602 -0.0373 0.0124 0.0224 244 VAL B CG2 3203 N N . ASN B 211 ? 0.4102 0.2642 0.1892 -0.0493 0.0195 0.0313 245 ASN B N 3204 C CA . ASN B 211 ? 0.4206 0.2634 0.1929 -0.0527 0.0207 0.0342 245 ASN B CA 3205 C C . ASN B 211 ? 0.4100 0.2510 0.1869 -0.0529 0.0147 0.0319 245 ASN B C 3206 O O . ASN B 211 ? 0.4136 0.2413 0.1801 -0.0509 0.0111 0.0325 245 ASN B O 3207 C CB . ASN B 211 ? 0.4331 0.2820 0.2114 -0.0592 0.0281 0.0371 245 ASN B CB 3208 C CG . ASN B 211 ? 0.4534 0.3010 0.2241 -0.0590 0.0352 0.0405 245 ASN B CG 3209 O OD1 . ASN B 211 ? 0.4442 0.2821 0.2017 -0.0544 0.0344 0.0410 245 ASN B OD1 3210 N ND2 . ASN B 211 ? 0.4533 0.3113 0.2322 -0.0639 0.0421 0.0427 245 ASN B ND2 3211 N N . TRP B 212 ? 0.3934 0.2476 0.1849 -0.0544 0.0132 0.0291 246 TRP B N 3212 C CA . TRP B 212 ? 0.3843 0.2374 0.1803 -0.0539 0.0074 0.0265 246 TRP B CA 3213 C C . TRP B 212 ? 0.3782 0.2267 0.1691 -0.0472 0.0004 0.0242 246 TRP B C 3214 O O . TRP B 212 ? 0.3874 0.2260 0.1719 -0.0450 -0.0035 0.0240 246 TRP B O 3215 C CB . TRP B 212 ? 0.3780 0.2465 0.1902 -0.0568 0.0077 0.0242 246 TRP B CB 3216 C CG . TRP B 212 ? 0.3805 0.2491 0.1976 -0.0555 0.0019 0.0211 246 TRP B CG 3217 C CD1 . TRP B 212 ? 0.3912 0.2518 0.2062 -0.0586 0.0009 0.0212 246 TRP B CD1 3218 C CD2 . TRP B 212 ? 0.3662 0.2433 0.1904 -0.0511 -0.0030 0.0175 246 TRP B CD2 3219 N NE1 . TRP B 212 ? 0.3924 0.2558 0.2124 -0.0555 -0.0044 0.0178 246 TRP B NE1 3220 C CE2 . TRP B 212 ? 0.3734 0.2473 0.1993 -0.0508 -0.0069 0.0156 246 TRP B CE2 3221 C CE3 . TRP B 212 ? 0.3641 0.2494 0.1919 -0.0473 -0.0046 0.0159 246 TRP B CE3 3222 C CZ2 . TRP B 212 ? 0.3647 0.2460 0.1975 -0.0467 -0.0118 0.0122 246 TRP B CZ2 3223 C CZ3 . TRP B 212 ? 0.3476 0.2400 0.1824 -0.0439 -0.0096 0.0125 246 TRP B CZ3 3224 C CH2 . TRP B 212 ? 0.3501 0.2408 0.1874 -0.0435 -0.0130 0.0109 246 TRP B CH2 3225 N N . ILE B 213 ? 0.3743 0.2291 0.1663 -0.0436 -0.0010 0.0226 247 ILE B N 3226 C CA . ILE B 213 ? 0.3805 0.2338 0.1689 -0.0378 -0.0078 0.0202 247 ILE B CA 3227 C C . ILE B 213 ? 0.4128 0.2508 0.1852 -0.0347 -0.0096 0.0224 247 ILE B C 3228 O O . ILE B 213 ? 0.4135 0.2462 0.1813 -0.0302 -0.0154 0.0214 247 ILE B O 3229 C CB . ILE B 213 ? 0.3734 0.2355 0.1651 -0.0360 -0.0083 0.0183 247 ILE B CB 3230 C CG1 . ILE B 213 ? 0.3544 0.2312 0.1615 -0.0378 -0.0077 0.0159 247 ILE B CG1 3231 C CG2 . ILE B 213 ? 0.3862 0.2461 0.1722 -0.0309 -0.0150 0.0162 247 ILE B CG2 3232 C CD1 . ILE B 213 ? 0.3492 0.2320 0.1577 -0.0373 -0.0055 0.0151 247 ILE B CD1 3233 N N . ASP B 214 ? 0.4369 0.2681 0.2000 -0.0363 -0.0045 0.0255 248 ASP B N 3234 C CA . ASP B 214 ? 0.4655 0.2800 0.2108 -0.0335 -0.0052 0.0283 248 ASP B CA 3235 C C . ASP B 214 ? 0.4649 0.2679 0.2051 -0.0344 -0.0056 0.0302 248 ASP B C 3236 O O . ASP B 214 ? 0.4556 0.2467 0.1838 -0.0295 -0.0098 0.0309 248 ASP B O 3237 C CB . ASP B 214 ? 0.4857 0.2940 0.2208 -0.0353 0.0014 0.0319 248 ASP B CB 3238 C CG . ASP B 214 ? 0.4972 0.3109 0.2307 -0.0325 0.0010 0.0302 248 ASP B CG 3239 O OD1 . ASP B 214 ? 0.5062 0.3250 0.2426 -0.0289 -0.0053 0.0267 248 ASP B OD1 3240 O OD2 . ASP B 214 ? 0.5380 0.3519 0.2685 -0.0344 0.0074 0.0321 248 ASP B OD2 3241 N N . SER B 215 ? 0.4617 0.2677 0.2102 -0.0404 -0.0017 0.0308 249 SER B N 3242 C CA . SER B 215 ? 0.4824 0.2758 0.2251 -0.0418 -0.0022 0.0322 249 SER B CA 3243 C C . SER B 215 ? 0.4997 0.2906 0.2418 -0.0356 -0.0097 0.0294 249 SER B C 3244 O O . SER B 215 ? 0.5314 0.3082 0.2649 -0.0350 -0.0108 0.0307 249 SER B O 3245 C CB . SER B 215 ? 0.4856 0.2843 0.2390 -0.0499 0.0022 0.0324 249 SER B CB 3246 O OG . SER B 215 ? 0.4641 0.2762 0.2326 -0.0501 -0.0010 0.0283 249 SER B OG 3247 N N . ILE B 216 ? 0.4877 0.2926 0.2401 -0.0319 -0.0144 0.0257 250 ILE B N 3248 C CA . ILE B 216 ? 0.4900 0.2972 0.2453 -0.0261 -0.0211 0.0227 250 ILE B CA 3249 C C . ILE B 216 ? 0.5290 0.3351 0.2764 -0.0192 -0.0261 0.0224 250 ILE B C 3250 O O . ILE B 216 ? 0.5367 0.3364 0.2776 -0.0131 -0.0310 0.0221 250 ILE B O 3251 C CB . ILE B 216 ? 0.4595 0.2847 0.2323 -0.0272 -0.0227 0.0189 250 ILE B CB 3252 C CG1 . ILE B 216 ? 0.4486 0.2758 0.2296 -0.0335 -0.0190 0.0187 250 ILE B CG1 3253 C CG2 . ILE B 216 ? 0.4624 0.2928 0.2385 -0.0204 -0.0296 0.0159 250 ILE B CG2 3254 C CD1 . ILE B 216 ? 0.4181 0.2637 0.2157 -0.0361 -0.0181 0.0160 250 ILE B CD1 3255 N N . ILE B 217 ? 0.5452 0.3590 0.2942 -0.0195 -0.0255 0.0218 251 ILE B N 3256 C CA . ILE B 217 ? 0.5853 0.4005 0.3287 -0.0132 -0.0316 0.0205 251 ILE B CA 3257 C C . ILE B 217 ? 0.6807 0.4806 0.4059 -0.0107 -0.0310 0.0238 251 ILE B C 3258 O O . ILE B 217 ? 0.7161 0.5152 0.4344 -0.0048 -0.0367 0.0231 251 ILE B O 3259 C CB . ILE B 217 ? 0.5648 0.3947 0.3171 -0.0141 -0.0328 0.0176 251 ILE B CB 3260 C CG1 . ILE B 217 ? 0.5521 0.3794 0.2999 -0.0181 -0.0268 0.0194 251 ILE B CG1 3261 C CG2 . ILE B 217 ? 0.5602 0.4054 0.3303 -0.0162 -0.0335 0.0145 251 ILE B CG2 3262 C CD1 . ILE B 217 ? 0.5588 0.3959 0.3106 -0.0184 -0.0281 0.0168 251 ILE B CD1 3263 N N . GLN B 218 ? 0.7666 0.5560 0.4847 -0.0152 -0.0242 0.0274 252 GLN B N 3264 C CA . GLN B 218 ? 0.8395 0.6133 0.5392 -0.0139 -0.0218 0.0313 252 GLN B CA 3265 C C . GLN B 218 ? 0.8544 0.6328 0.5528 -0.0161 -0.0181 0.0315 252 GLN B C 3266 O O . GLN B 218 ? 0.8886 0.6597 0.5800 -0.0197 -0.0113 0.0349 252 GLN B O 3267 C CB . GLN B 218 ? 0.9017 0.6660 0.5877 -0.0058 -0.0284 0.0318 252 GLN B CB 3268 C CG . GLN B 218 ? 0.9645 0.7240 0.6504 -0.0015 -0.0327 0.0314 252 GLN B CG 3269 C CD . GLN B 218 ? 1.1266 0.8775 0.7983 0.0075 -0.0392 0.0321 252 GLN B CD 3270 O OE1 . GLN B 218 ? 1.1682 0.9252 0.8371 0.0114 -0.0437 0.0307 252 GLN B OE1 3271 N NE2 . GLN B 218 ? 1.1939 0.9294 0.8552 0.0111 -0.0398 0.0345 252 GLN B NE2 3272 O OXT . GLN B 218 ? 0.8443 0.6332 0.5478 -0.0143 -0.0216 0.0284 252 GLN B OXT 3273 C C1 . NAG C . ? 0.3381 0.5332 0.2663 0.0601 -0.0240 0.0049 401 NAG A C1 3274 C C2 . NAG C . ? 0.3807 0.5798 0.3003 0.0706 -0.0235 0.0084 401 NAG A C2 3275 C C3 . NAG C . ? 0.3921 0.6032 0.3106 0.0713 -0.0307 0.0045 401 NAG A C3 3276 C C4 . NAG C . ? 0.4200 0.6223 0.3352 0.0657 -0.0322 0.0003 401 NAG A C4 3277 C C5 . NAG C . ? 0.3869 0.5841 0.3107 0.0554 -0.0322 -0.0028 401 NAG A C5 3278 C C6 . NAG C . ? 0.3954 0.5809 0.3148 0.0512 -0.0321 -0.0061 401 NAG A C6 3279 C C7 . NAG C . ? 0.3834 0.5827 0.3007 0.0823 -0.0162 0.0171 401 NAG A C7 3280 C C8 . NAG C . ? 0.3953 0.6062 0.3155 0.0893 -0.0159 0.0203 401 NAG A C8 3281 N N2 . NAG C . ? 0.3729 0.5809 0.2953 0.0766 -0.0223 0.0121 401 NAG A N2 3282 O O3 . NAG C . ? 0.4225 0.6371 0.3322 0.0817 -0.0304 0.0079 401 NAG A O3 3283 O O4 . NAG C . ? 0.4885 0.7005 0.4013 0.0664 -0.0389 -0.0035 401 NAG A O4 3284 O O5 . NAG C . ? 0.3526 0.5414 0.2786 0.0549 -0.0261 0.0009 401 NAG A O5 3285 O O6 . NAG C . ? 0.3767 0.5502 0.2879 0.0558 -0.0260 -0.0025 401 NAG A O6 3286 O O7 . NAG C . ? 0.4133 0.5959 0.3242 0.0815 -0.0111 0.0189 401 NAG A O7 3287 C C1 . FUC D . ? 0.3611 0.5314 0.2638 0.0581 -0.0272 -0.0046 402 FUC A C1 3288 C C2 . FUC D . ? 0.3610 0.5200 0.2565 0.0622 -0.0199 0.0000 402 FUC A C2 3289 C C3 . FUC D . ? 0.3414 0.4906 0.2423 0.0558 -0.0160 0.0000 402 FUC A C3 3290 C C4 . FUC D . ? 0.3319 0.4799 0.2358 0.0497 -0.0196 -0.0055 402 FUC A C4 3291 C C5 . FUC D . ? 0.3344 0.4920 0.2447 0.0458 -0.0263 -0.0094 402 FUC A C5 3292 C C6 . FUC D . ? 0.3334 0.4883 0.2462 0.0392 -0.0305 -0.0151 402 FUC A C6 3293 O O2 . FUC D . ? 0.3510 0.5113 0.2445 0.0680 -0.0168 0.0051 402 FUC A O2 3294 O O3 . FUC D . ? 0.3335 0.4731 0.2280 0.0585 -0.0096 0.0039 402 FUC A O3 3295 O O4 . FUC D . ? 0.3211 0.4672 0.2166 0.0532 -0.0199 -0.0069 402 FUC A O4 3296 O O5 . FUC D . ? 0.3410 0.5078 0.2464 0.0512 -0.0301 -0.0097 402 FUC A O5 3297 C C1 . NAG E . ? 0.5203 0.7296 0.4212 0.0741 -0.0386 -0.0022 403 NAG A C1 3298 C C2 . NAG E . ? 0.5318 0.7459 0.4312 0.0702 -0.0457 -0.0085 403 NAG A C2 3299 C C3 . NAG E . ? 0.5787 0.7927 0.4652 0.0782 -0.0470 -0.0082 403 NAG A C3 3300 C C4 . NAG E . ? 0.6059 0.8300 0.4887 0.0880 -0.0474 -0.0037 403 NAG A C4 3301 C C5 . NAG E . ? 0.6086 0.8271 0.4939 0.0912 -0.0401 0.0024 403 NAG A C5 3302 C C6 . NAG E . ? 0.6208 0.8518 0.5043 0.1007 -0.0417 0.0062 403 NAG A C6 3303 C C7 . NAG E . ? 0.4619 0.6682 0.3709 0.0531 -0.0496 -0.0172 403 NAG A C7 3304 C C8 . NAG E . ? 0.4489 0.6429 0.3572 0.0463 -0.0494 -0.0212 403 NAG A C8 3305 N N2 . NAG E . ? 0.4961 0.6994 0.3967 0.0621 -0.0455 -0.0126 403 NAG A N2 3306 O O3 . NAG E . ? 0.5757 0.7953 0.4608 0.0743 -0.0546 -0.0146 403 NAG A O3 3307 O O4 . NAG E . ? 0.6906 0.9136 0.5595 0.0960 -0.0487 -0.0033 403 NAG A O4 3308 O O5 . NAG E . ? 0.5644 0.7832 0.4623 0.0831 -0.0389 0.0016 403 NAG A O5 3309 O O6 . NAG E . ? 0.6484 0.8755 0.5355 0.1029 -0.0358 0.0111 403 NAG A O6 3310 O O7 . NAG E . ? 0.4615 0.6805 0.3785 0.0507 -0.0534 -0.0178 403 NAG A O7 3311 C C1 . NAG F . ? 0.7445 0.6368 0.5564 0.0354 -0.0530 -0.0683 411 NAG A C1 3312 C C2 . NAG F . ? 0.8336 0.7003 0.6262 0.0383 -0.0555 -0.0729 411 NAG A C2 3313 C C3 . NAG F . ? 0.8673 0.7189 0.6529 0.0262 -0.0588 -0.0755 411 NAG A C3 3314 C C4 . NAG F . ? 0.8584 0.7100 0.6515 0.0172 -0.0585 -0.0714 411 NAG A C4 3315 C C5 . NAG F . ? 0.8345 0.7134 0.6470 0.0162 -0.0559 -0.0671 411 NAG A C5 3316 C C6 . NAG F . ? 0.8060 0.6894 0.6279 0.0080 -0.0551 -0.0629 411 NAG A C6 3317 C C7 . NAG F . ? 0.8679 0.7352 0.6485 0.0585 -0.0536 -0.0772 411 NAG A C7 3318 C C8 . NAG F . ? 0.8638 0.7249 0.6414 0.0670 -0.0525 -0.0750 411 NAG A C8 3319 N N2 . NAG F . ? 0.8378 0.7074 0.6250 0.0459 -0.0551 -0.0762 411 NAG A N2 3320 O O3 . NAG F . ? 0.9047 0.7321 0.6709 0.0298 -0.0609 -0.0803 411 NAG A O3 3321 O O4 . NAG F . ? 0.8672 0.7066 0.6558 0.0046 -0.0609 -0.0729 411 NAG A O4 3322 O O5 . NAG F . ? 0.7756 0.6668 0.5935 0.0271 -0.0533 -0.0651 411 NAG A O5 3323 O O6 . NAG F . ? 0.8047 0.6791 0.6225 0.0136 -0.0543 -0.0607 411 NAG A O6 3324 O O7 . NAG F . ? 0.9142 0.7848 0.6907 0.0629 -0.0532 -0.0801 411 NAG A O7 3325 C C1 . FUC G . ? 0.8617 0.7347 0.6843 0.0046 -0.0540 -0.0574 412 FUC A C1 3326 C C2 . FUC G . ? 0.9094 0.7618 0.7201 0.0072 -0.0546 -0.0566 412 FUC A C2 3327 C C3 . FUC G . ? 0.9294 0.7888 0.7446 0.0157 -0.0531 -0.0531 412 FUC A C3 3328 C C4 . FUC G . ? 0.8907 0.7745 0.7236 0.0134 -0.0510 -0.0495 412 FUC A C4 3329 C C5 . FUC G . ? 0.8479 0.7486 0.6897 0.0124 -0.0502 -0.0509 412 FUC A C5 3330 C C6 . FUC G . ? 0.7986 0.7204 0.6562 0.0100 -0.0479 -0.0471 412 FUC A C6 3331 O O2 . FUC G . ? 0.9118 0.7442 0.7060 0.0129 -0.0563 -0.0606 412 FUC A O2 3332 O O3 . FUC G . ? 0.9840 0.8239 0.7890 0.0138 -0.0538 -0.0517 412 FUC A O3 3333 O O4 . FUC G . ? 0.8793 0.7646 0.7179 0.0032 -0.0503 -0.0467 412 FUC A O4 3334 O O5 . FUC G . ? 0.8469 0.7409 0.6851 0.0036 -0.0517 -0.0534 412 FUC A O5 3335 C C28 . JJV H . ? 0.1939 0.2271 0.1374 -0.0333 -0.0034 -0.0032 1001 JJV A C28 3336 S S26 . JJV H . ? 0.1955 0.2380 0.1450 -0.0331 -0.0048 -0.0041 1001 JJV A S26 3337 O O27 . JJV H . ? 0.1951 0.2417 0.1472 -0.0365 -0.0048 -0.0042 1001 JJV A O27 3338 O O29 . JJV H . ? 0.2358 0.2817 0.1881 -0.0317 -0.0091 -0.0061 1001 JJV A O29 3339 C C4 . JJV H . ? 0.1914 0.2401 0.1432 -0.0288 -0.0027 -0.0035 1001 JJV A C4 3340 C C2 . JJV H . ? 0.1840 0.2391 0.1388 -0.0288 -0.0013 -0.0031 1001 JJV A C2 3341 C C1 . JJV H . ? 0.1847 0.2444 0.1403 -0.0252 0.0001 -0.0026 1001 JJV A C1 3342 C C31 . JJV H . ? 0.1901 0.2562 0.1480 -0.0246 0.0022 -0.0019 1001 JJV A C31 3343 N N30 . JJV H . ? 0.2023 0.2738 0.1621 -0.0241 0.0039 -0.0013 1001 JJV A N30 3344 C C3 . JJV H . ? 0.1834 0.2420 0.1374 -0.0221 -0.0002 -0.0028 1001 JJV A C3 3345 C C5 . JJV H . ? 0.1866 0.2398 0.1385 -0.0227 -0.0014 -0.0031 1001 JJV A C5 3346 C C6 . JJV H . ? 0.1874 0.2352 0.1379 -0.0259 -0.0024 -0.0033 1001 JJV A C6 3347 C C22 . JJV H . ? 0.1944 0.2362 0.1418 -0.0261 -0.0030 -0.0032 1001 JJV A C22 3348 C C9 . JJV H . ? 0.1901 0.2342 0.1393 -0.0244 -0.0054 -0.0046 1001 JJV A C9 3349 C C11 . JJV H . ? 0.1849 0.2310 0.1341 -0.0225 -0.0044 -0.0040 1001 JJV A C11 3350 C C25 . JJV H . ? 0.1873 0.2356 0.1383 -0.0221 -0.0072 -0.0057 1001 JJV A C25 3351 C C24 . JJV H . ? 0.1944 0.2390 0.1451 -0.0248 -0.0088 -0.0064 1001 JJV A C24 3352 N N32 . JJV H . ? 0.2055 0.2503 0.1570 -0.0246 -0.0116 -0.0079 1001 JJV A N32 3353 N N7 . JJV H . ? 0.1952 0.2340 0.1391 -0.0250 0.0007 -0.0010 1001 JJV A N7 3354 C C8 . JJV H . ? 0.1910 0.2327 0.1351 -0.0220 0.0015 -0.0004 1001 JJV A C8 3355 O O23 . JJV H . ? 0.1857 0.2257 0.1269 -0.0201 0.0046 0.0014 1001 JJV A O23 3356 N N10 . JJV H . ? 0.1894 0.2351 0.1365 -0.0213 -0.0011 -0.0020 1001 JJV A N10 3357 C C12 . JJV H . ? 0.1901 0.2402 0.1380 -0.0187 -0.0003 -0.0013 1001 JJV A C12 3358 C C13 . JJV H . ? 0.1961 0.2524 0.1458 -0.0163 -0.0007 -0.0018 1001 JJV A C13 3359 C C14 . JJV H . ? 0.1978 0.2475 0.1449 -0.0184 0.0007 -0.0003 1001 JJV A C14 3360 C C16 . JJV H . ? 0.2087 0.2650 0.1573 -0.0156 0.0013 0.0003 1001 JJV A C16 3361 C C17 . JJV H . ? 0.1989 0.2616 0.1493 -0.0133 0.0001 -0.0004 1001 JJV A C17 3362 C C15 . JJV H . ? 0.1976 0.2596 0.1480 -0.0136 -0.0006 -0.0015 1001 JJV A C15 3363 C C18 . JJV H . ? 0.1988 0.2669 0.1498 -0.0106 -0.0013 -0.0022 1001 JJV A C18 3364 F F20 . JJV H . ? 0.1958 0.2695 0.1484 -0.0094 -0.0031 -0.0030 1001 JJV A F20 3365 F F21 . JJV H . ? 0.2103 0.2786 0.1586 -0.0079 0.0017 0.0000 1001 JJV A F21 3366 F F19 . JJV H . ? 0.2009 0.2696 0.1529 -0.0110 -0.0029 -0.0040 1001 JJV A F19 3367 O O1 . MES I . ? 0.2751 0.3012 0.2102 -0.0289 0.0061 0.0017 1002 MES A O1 3368 C C2 . MES I . ? 0.2875 0.3077 0.2172 -0.0266 0.0090 0.0034 1002 MES A C2 3369 C C3 . MES I . ? 0.2939 0.3085 0.2182 -0.0259 0.0131 0.0056 1002 MES A C3 3370 N N4 . MES I . ? 0.3120 0.3205 0.2337 -0.0312 0.0132 0.0051 1002 MES A N4 3371 C C5 . MES I . ? 0.3083 0.3262 0.2375 -0.0337 0.0104 0.0036 1002 MES A C5 3372 C C6 . MES I . ? 0.2938 0.3169 0.2278 -0.0332 0.0061 0.0014 1002 MES A C6 3373 C C7 . MES I . ? 0.3247 0.3252 0.2398 -0.0320 0.0173 0.0072 1002 MES A C7 3374 C C8 . MES I . ? 0.3445 0.3505 0.2609 -0.0281 0.0197 0.0091 1002 MES A C8 3375 S S . MES I . ? 0.3482 0.3422 0.2550 -0.0296 0.0251 0.0120 1002 MES A S 3376 O O1S . MES I . ? 0.3785 0.3715 0.2871 -0.0372 0.0241 0.0108 1002 MES A O1S 3377 O O2S . MES I . ? 0.3613 0.3424 0.2582 -0.0269 0.0279 0.0135 1002 MES A O2S 3378 O O3S . MES I . ? 0.3484 0.3488 0.2568 -0.0260 0.0270 0.0138 1002 MES A O3S 3379 O O1 . XPE J . ? 0.2911 0.3238 0.2356 -0.0334 -0.0186 -0.0088 1003 XPE A O1 3380 C C2 . XPE J . ? 0.2708 0.3065 0.2167 -0.0371 -0.0183 -0.0087 1003 XPE A C2 3381 C C3 . XPE J . ? 0.2778 0.3215 0.2291 -0.0367 -0.0164 -0.0084 1003 XPE A C3 3382 O O4 . XPE J . ? 0.3278 0.3732 0.2799 -0.0410 -0.0151 -0.0080 1003 XPE A O4 3383 C C5 . XPE J . ? 0.2962 0.3542 0.2560 -0.0409 -0.0154 -0.0083 1003 XPE A C5 3384 C C6 . XPE J . ? 0.2930 0.3605 0.2581 -0.0398 -0.0196 -0.0098 1003 XPE A C6 3385 C C8 . XPE J . ? 0.2658 0.3060 0.2150 -0.0213 -0.0188 -0.0129 1003 XPE A C8 3386 C C9 . XPE J . ? 0.2803 0.3164 0.2270 -0.0197 -0.0219 -0.0151 1003 XPE A C9 3387 O O10 . XPE J . ? 0.3382 0.3660 0.2806 -0.0191 -0.0249 -0.0161 1003 XPE A O10 3388 C C11 . XPE J . ? 0.3318 0.3575 0.2729 -0.0179 -0.0263 -0.0158 1003 XPE A C11 3389 C C12 . XPE J . ? 0.3738 0.3909 0.3102 -0.0192 -0.0278 -0.0149 1003 XPE A C12 3390 O O13 . XPE J . ? 0.3452 0.3674 0.2845 -0.0199 -0.0270 -0.0137 1003 XPE A O13 3391 C C14 . XPE J . ? 0.3683 0.3841 0.3037 -0.0223 -0.0270 -0.0125 1003 XPE A C14 3392 C C15 . XPE J . ? 0.3386 0.3561 0.2750 -0.0251 -0.0248 -0.0110 1003 XPE A C15 3393 O O16 . XPE J . ? 0.3200 0.3378 0.2572 -0.0271 -0.0217 -0.0100 1003 XPE A O16 3394 C C17 . XPE J . ? 0.3354 0.3511 0.2709 -0.0295 -0.0191 -0.0084 1003 XPE A C17 3395 C C18 . XPE J . ? 0.3291 0.3466 0.2649 -0.0304 -0.0189 -0.0082 1003 XPE A C18 3396 O O19 . XPE J . ? 0.3033 0.3268 0.2431 -0.0301 -0.0167 -0.0079 1003 XPE A O19 3397 C C20 . XPE J . ? 0.3022 0.3332 0.2466 -0.0288 -0.0183 -0.0090 1003 XPE A C20 3398 C C21 . XPE J . ? 0.2643 0.2975 0.2097 -0.0315 -0.0159 -0.0081 1003 XPE A C21 3399 O O22 . XPE J . ? 0.3451 0.3902 0.2960 -0.0216 -0.0166 -0.0122 1003 XPE A O22 3400 C C23 . XPE J . ? 0.2735 0.3168 0.2239 -0.0243 -0.0149 -0.0105 1003 XPE A C23 3401 C C24 . XPE J . ? 0.3103 0.3468 0.2581 -0.0264 -0.0169 -0.0112 1003 XPE A C24 3402 O O25 . XPE J . ? 0.3764 0.4116 0.3239 -0.0296 -0.0155 -0.0100 1003 XPE A O25 3403 C C26 . XPE J . ? 0.2859 0.3282 0.2365 -0.0299 -0.0143 -0.0096 1003 XPE A C26 3404 C C27 . XPE J . ? 0.3065 0.3497 0.2575 -0.0315 -0.0168 -0.0117 1003 XPE A C27 3405 O O28 . XPE J . ? 0.3116 0.3600 0.2654 -0.0347 -0.0155 -0.0106 1003 XPE A O28 3406 C C29 . XPE J . ? 0.3129 0.3569 0.2655 -0.0387 -0.0147 -0.0095 1003 XPE A C29 3407 C C30 . XPE J . ? 0.3182 0.3663 0.2734 -0.0435 -0.0142 -0.0090 1003 XPE A C30 3408 O O31 . XPE J . ? 0.3389 0.3781 0.2906 -0.0487 -0.0161 -0.0103 1003 XPE A O31 3409 C C1 . NAG K . ? 0.5241 0.3195 0.2425 -0.0558 -0.0063 -0.0238 401 NAG B C1 3410 C C2 . NAG K . ? 0.5722 0.3467 0.2691 -0.0526 -0.0029 -0.0252 401 NAG B C2 3411 C C3 . NAG K . ? 0.5950 0.3620 0.2808 -0.0576 -0.0099 -0.0292 401 NAG B C3 3412 C C4 . NAG K . ? 0.6028 0.3831 0.2962 -0.0567 -0.0145 -0.0283 401 NAG B C4 3413 C C5 . NAG K . ? 0.5539 0.3550 0.2692 -0.0595 -0.0177 -0.0268 401 NAG B C5 3414 C C6 . NAG K . ? 0.5481 0.3620 0.2712 -0.0570 -0.0210 -0.0251 401 NAG B C6 3415 C C7 . NAG K . ? 0.5786 0.3327 0.2630 -0.0470 0.0084 -0.0237 401 NAG B C7 3416 C C8 . NAG K . ? 0.6043 0.3409 0.2770 -0.0483 0.0115 -0.0250 401 NAG B C8 3417 N N2 . NAG K . ? 0.5749 0.3344 0.2625 -0.0536 0.0008 -0.0263 401 NAG B N2 3418 O O3 . NAG K . ? 0.6547 0.4016 0.3194 -0.0540 -0.0065 -0.0305 401 NAG B O3 3419 O O4 . NAG K . ? 0.6815 0.4542 0.3629 -0.0607 -0.0213 -0.0320 401 NAG B O4 3420 O O5 . NAG K . ? 0.5097 0.3168 0.2351 -0.0562 -0.0115 -0.0237 401 NAG B O5 3421 O O6 . NAG K . ? 0.5392 0.3533 0.2618 -0.0495 -0.0143 -0.0213 401 NAG B O6 3422 O O7 . NAG K . ? 0.6079 0.3724 0.3003 -0.0403 0.0127 -0.0201 401 NAG B O7 3423 C C1 . FUC L . ? 0.5308 0.3401 0.2431 -0.0467 -0.0159 -0.0211 402 FUC B C1 3424 C C2 . FUC L . ? 0.5206 0.3292 0.2314 -0.0396 -0.0078 -0.0171 402 FUC B C2 3425 C C3 . FUC L . ? 0.4849 0.3105 0.2151 -0.0384 -0.0059 -0.0138 402 FUC B C3 3426 C C4 . FUC L . ? 0.4728 0.3089 0.2116 -0.0410 -0.0131 -0.0142 402 FUC B C4 3427 C C5 . FUC L . ? 0.4780 0.3156 0.2186 -0.0471 -0.0204 -0.0180 402 FUC B C5 3428 C C6 . FUC L . ? 0.4657 0.3162 0.2169 -0.0492 -0.0277 -0.0185 402 FUC B C6 3429 O O2 . FUC L . ? 0.5058 0.3041 0.2085 -0.0364 -0.0007 -0.0167 402 FUC B O2 3430 O O3 . FUC L . ? 0.4807 0.3049 0.2082 -0.0328 0.0013 -0.0104 402 FUC B O3 3431 O O4 . FUC L . ? 0.4632 0.2932 0.1909 -0.0387 -0.0145 -0.0137 402 FUC B O4 3432 O O5 . FUC L . ? 0.5153 0.3378 0.2381 -0.0486 -0.0225 -0.0211 402 FUC B O5 3433 C C1 . NAG M . ? 0.7461 0.5076 0.4113 -0.0556 -0.0199 -0.0320 403 NAG B C1 3434 C C2 . NAG M . ? 0.7565 0.5203 0.4178 -0.0598 -0.0292 -0.0350 403 NAG B C2 3435 C C3 . NAG M . ? 0.8022 0.5511 0.4425 -0.0558 -0.0292 -0.0361 403 NAG B C3 3436 C C4 . NAG M . ? 0.8474 0.5740 0.4672 -0.0558 -0.0259 -0.0390 403 NAG B C4 3437 C C5 . NAG M . ? 0.8466 0.5708 0.4709 -0.0518 -0.0164 -0.0362 403 NAG B C5 3438 C C6 . NAG M . ? 0.8553 0.5594 0.4638 -0.0552 -0.0156 -0.0400 403 NAG B C6 3439 C C7 . NAG M . ? 0.6722 0.4704 0.3659 -0.0651 -0.0388 -0.0338 403 NAG B C7 3440 C C8 . NAG M . ? 0.6347 0.4512 0.3437 -0.0632 -0.0422 -0.0315 403 NAG B C8 3441 N N2 . NAG M . ? 0.7182 0.5020 0.3971 -0.0593 -0.0328 -0.0327 403 NAG B N2 3442 O O3 . NAG M . ? 0.8140 0.5653 0.4505 -0.0599 -0.0386 -0.0391 403 NAG B O3 3443 O O4 . NAG M . ? 0.9071 0.6189 0.5056 -0.0516 -0.0258 -0.0402 403 NAG B O4 3444 O O5 . NAG M . ? 0.8001 0.5407 0.4462 -0.0534 -0.0150 -0.0336 403 NAG B O5 3445 O O6 . NAG M . ? 0.8581 0.5595 0.4687 -0.0493 -0.0065 -0.0368 403 NAG B O6 3446 O O7 . NAG M . ? 0.6932 0.4888 0.3870 -0.0716 -0.0412 -0.0367 403 NAG B O7 3447 C C1 . NAG N . ? 0.6742 0.6666 0.5336 0.0633 -0.0894 -0.0091 411 NAG B C1 3448 C C2 . NAG N . ? 0.7378 0.7374 0.5944 0.0761 -0.0948 -0.0088 411 NAG B C2 3449 C C3 . NAG N . ? 0.7402 0.7690 0.6123 0.0777 -0.0988 -0.0102 411 NAG B C3 3450 C C4 . NAG N . ? 0.7192 0.7634 0.6071 0.0727 -0.0948 -0.0121 411 NAG B C4 3451 C C5 . NAG N . ? 0.7254 0.7580 0.6128 0.0603 -0.0897 -0.0122 411 NAG B C5 3452 C C6 . NAG N . ? 0.7006 0.7451 0.6013 0.0547 -0.0855 -0.0137 411 NAG B C6 3453 C C7 . NAG N . ? 0.8034 0.7679 0.6292 0.0858 -0.0981 -0.0048 411 NAG B C7 3454 C C8 . NAG N . ? 0.8001 0.7511 0.6193 0.0927 -0.0955 -0.0047 411 NAG B C8 3455 N N2 . NAG N . ? 0.7709 0.7565 0.6132 0.0786 -0.0979 -0.0068 411 NAG B N2 3456 O O3 . NAG N . ? 0.7544 0.7890 0.6226 0.0908 -0.1039 -0.0096 411 NAG B O3 3457 O O4 . NAG N . ? 0.6739 0.7461 0.5781 0.0714 -0.0971 -0.0135 411 NAG B O4 3458 O O5 . NAG N . ? 0.6878 0.6951 0.5617 0.0598 -0.0864 -0.0110 411 NAG B O5 3459 O O6 . NAG N . ? 0.7483 0.7846 0.6451 0.0614 -0.0831 -0.0139 411 NAG B O6 3460 O O7 . NAG N . ? 0.8251 0.7811 0.6405 0.0866 -0.1008 -0.0031 411 NAG B O7 3461 C C1 . FUC O . ? 0.8265 0.8788 0.7366 0.0597 -0.0802 -0.0153 412 FUC B C1 3462 C C2 . FUC O . ? 0.8671 0.9177 0.7748 0.0699 -0.0793 -0.0160 412 FUC B C2 3463 C C3 . FUC O . ? 0.9016 0.9262 0.7959 0.0694 -0.0764 -0.0157 412 FUC B C3 3464 C C4 . FUC O . ? 0.8842 0.9075 0.7842 0.0578 -0.0717 -0.0163 412 FUC B C4 3465 C C5 . FUC O . ? 0.8388 0.8650 0.7420 0.0483 -0.0721 -0.0154 412 FUC B C5 3466 C C6 . FUC O . ? 0.7610 0.7866 0.6697 0.0382 -0.0673 -0.0158 412 FUC B C6 3467 O O2 . FUC O . ? 0.9256 0.9816 0.8301 0.0813 -0.0838 -0.0155 412 FUC B O2 3468 O O3 . FUC O . ? 0.9129 0.9310 0.8008 0.0798 -0.0763 -0.0164 412 FUC B O3 3469 O O4 . FUC O . ? 0.9051 0.9463 0.8181 0.0567 -0.0694 -0.0176 412 FUC B O4 3470 O O5 . FUC O . ? 0.8271 0.8739 0.7399 0.0492 -0.0755 -0.0156 412 FUC B O5 3471 C C28 . JJV P . ? 0.1932 0.2367 0.1422 -0.0308 -0.0031 -0.0015 1001 JJV B C28 3472 S S26 . JJV P . ? 0.2046 0.2425 0.1518 -0.0347 -0.0046 -0.0020 1001 JJV B S26 3473 O O27 . JJV P . ? 0.2059 0.2470 0.1554 -0.0382 -0.0046 -0.0019 1001 JJV B O27 3474 O O29 . JJV P . ? 0.2457 0.2794 0.1921 -0.0353 -0.0088 -0.0047 1001 JJV B O29 3475 C C4 . JJV P . ? 0.2042 0.2313 0.1447 -0.0355 -0.0030 -0.0006 1001 JJV B C4 3476 C C2 . JJV P . ? 0.2009 0.2244 0.1391 -0.0383 -0.0017 0.0005 1001 JJV B C2 3477 C C1 . JJV P . ? 0.2086 0.2235 0.1405 -0.0385 -0.0005 0.0015 1001 JJV B C1 3478 C C31 . JJV P . ? 0.2204 0.2312 0.1491 -0.0412 0.0012 0.0030 1001 JJV B C31 3479 N N30 . JJV P . ? 0.2159 0.2234 0.1419 -0.0434 0.0028 0.0043 1001 JJV B N30 3480 C C3 . JJV P . ? 0.2064 0.2167 0.1348 -0.0364 -0.0011 0.0011 1001 JJV B C3 3481 C C5 . JJV P . ? 0.2090 0.2231 0.1401 -0.0343 -0.0021 0.0000 1001 JJV B C5 3482 C C6 . JJV P . ? 0.2014 0.2240 0.1386 -0.0335 -0.0028 -0.0006 1001 JJV B C6 3483 C C22 . JJV P . ? 0.1988 0.2250 0.1380 -0.0309 -0.0033 -0.0014 1001 JJV B C22 3484 C C9 . JJV P . ? 0.1987 0.2209 0.1363 -0.0310 -0.0059 -0.0028 1001 JJV B C9 3485 C C11 . JJV P . ? 0.1952 0.2133 0.1295 -0.0309 -0.0049 -0.0023 1001 JJV B C11 3486 C C25 . JJV P . ? 0.1972 0.2129 0.1307 -0.0316 -0.0080 -0.0037 1001 JJV B C25 3487 C C24 . JJV P . ? 0.2044 0.2268 0.1436 -0.0314 -0.0095 -0.0046 1001 JJV B C24 3488 N N32 . JJV P . ? 0.2101 0.2320 0.1498 -0.0314 -0.0122 -0.0061 1001 JJV B N32 3489 N N7 . JJV P . ? 0.1941 0.2200 0.1311 -0.0291 0.0005 0.0005 1001 JJV B N7 3490 C C8 . JJV P . ? 0.1944 0.2136 0.1266 -0.0287 0.0015 0.0008 1001 JJV B C8 3491 O O23 . JJV P . ? 0.1900 0.2067 0.1186 -0.0271 0.0048 0.0024 1001 JJV B O23 3492 N N10 . JJV P . ? 0.1988 0.2141 0.1297 -0.0302 -0.0013 -0.0006 1001 JJV B N10 3493 C C12 . JJV P . ? 0.2005 0.2093 0.1263 -0.0308 -0.0005 -0.0004 1001 JJV B C12 3494 C C13 . JJV P . ? 0.2128 0.2141 0.1331 -0.0324 -0.0012 -0.0004 1001 JJV B C13 3495 C C14 . JJV P . ? 0.2073 0.2158 0.1324 -0.0303 0.0009 -0.0001 1001 JJV B C14 3496 C C16 . JJV P . ? 0.2215 0.2217 0.1403 -0.0319 0.0016 -0.0001 1001 JJV B C16 3497 C C17 . JJV P . ? 0.2256 0.2188 0.1391 -0.0336 0.0003 -0.0006 1001 JJV B C17 3498 C C15 . JJV P . ? 0.2229 0.2166 0.1369 -0.0334 -0.0007 -0.0006 1001 JJV B C15 3499 C C18 . JJV P . ? 0.2335 0.2188 0.1404 -0.0348 -0.0017 -0.0008 1001 JJV B C18 3500 F F20 . JJV P . ? 0.2355 0.2159 0.1384 -0.0368 -0.0039 -0.0020 1001 JJV B F20 3501 F F21 . JJV P . ? 0.2449 0.2256 0.1466 -0.0335 0.0020 0.0006 1001 JJV B F21 3502 F F19 . JJV P . ? 0.2371 0.2230 0.1450 -0.0352 -0.0040 -0.0010 1001 JJV B F19 3503 O O1 . MES Q . ? 0.3043 0.3445 0.2464 -0.0252 0.0061 0.0037 1002 MES B O1 3504 C C2 . MES Q . ? 0.3113 0.3502 0.2503 -0.0213 0.0092 0.0052 1002 MES B C2 3505 C C3 . MES Q . ? 0.3019 0.3421 0.2390 -0.0188 0.0134 0.0076 1002 MES B C3 3506 N N4 . MES Q . ? 0.2992 0.3516 0.2431 -0.0189 0.0133 0.0080 1002 MES B N4 3507 C C5 . MES Q . ? 0.2950 0.3472 0.2416 -0.0242 0.0105 0.0066 1002 MES B C5 3508 C C6 . MES Q . ? 0.2949 0.3444 0.2424 -0.0260 0.0060 0.0040 1002 MES B C6 3509 C C7 . MES Q . ? 0.3032 0.3611 0.2473 -0.0155 0.0175 0.0105 1002 MES B C7 3510 C C8 . MES Q . ? 0.3195 0.3680 0.2570 -0.0161 0.0204 0.0115 1002 MES B C8 3511 S S . MES Q . ? 0.3238 0.3809 0.2622 -0.0119 0.0260 0.0147 1002 MES B S 3512 O O1S . MES Q . ? 0.3140 0.3843 0.2620 -0.0158 0.0240 0.0143 1002 MES B O1S 3513 O O2S . MES Q . ? 0.3260 0.3838 0.2612 -0.0045 0.0289 0.0162 1002 MES B O2S 3514 O O3S . MES Q . ? 0.3262 0.3735 0.2577 -0.0130 0.0285 0.0153 1002 MES B O3S 3515 O O . HOH R . ? 0.2246 0.3505 0.2012 -0.0231 -0.0193 -0.0105 2001 HOH A O 3516 O O . HOH R . ? 0.1717 0.3460 0.1613 -0.0072 -0.0150 -0.0018 2002 HOH A O 3517 O O . HOH R . ? 0.1742 0.3484 0.1655 0.0011 0.0008 0.0089 2003 HOH A O 3518 O O . HOH R . ? 0.2257 0.4346 0.2037 0.0299 -0.0156 0.0063 2004 HOH A O 3519 O O . HOH R . ? 0.2742 0.4894 0.2757 0.0085 -0.0090 0.0070 2005 HOH A O 3520 O O . HOH R . ? 0.1773 0.4325 0.1903 0.0065 -0.0236 0.0012 2006 HOH A O 3521 O O . HOH R . ? 0.2416 0.4697 0.2184 0.0025 -0.0509 -0.0208 2007 HOH A O 3522 O O . HOH R . ? 0.2054 0.3996 0.1654 0.0406 -0.0152 0.0074 2008 HOH A O 3523 O O . HOH R . ? 0.4086 0.6711 0.4095 -0.0203 -0.0616 -0.0268 2009 HOH A O 3524 O O . HOH R . ? 0.3779 0.5914 0.3712 -0.0540 -0.0655 -0.0387 2010 HOH A O 3525 O O . HOH R . ? 0.1933 0.3978 0.1534 -0.0005 -0.0561 -0.0291 2011 HOH A O 3526 O O . HOH R . ? 0.4992 0.6747 0.4163 0.0136 -0.0639 -0.0414 2012 HOH A O 3527 O O . HOH R . ? 0.5736 0.7526 0.5137 -0.0474 -0.0907 -0.0640 2013 HOH A O 3528 O O . HOH R . ? 0.2863 0.3707 0.1965 -0.0248 -0.0640 -0.0578 2014 HOH A O 3529 O O . HOH R . ? 0.7121 0.8196 0.6338 -0.0819 -0.0929 -0.0758 2015 HOH A O 3530 O O . HOH R . ? 0.2790 0.3973 0.2120 -0.0184 -0.0552 -0.0445 2016 HOH A O 3531 O O . HOH R . ? 0.4363 0.5769 0.3378 0.0210 -0.0528 -0.0412 2017 HOH A O 3532 O O . HOH R . ? 0.2937 0.3786 0.2161 -0.0221 -0.0544 -0.0489 2018 HOH A O 3533 O O . HOH R . ? 0.3463 0.4020 0.2470 -0.0083 -0.0522 -0.0542 2019 HOH A O 3534 O O . HOH R . ? 0.2446 0.2964 0.1617 -0.0247 -0.0502 -0.0485 2020 HOH A O 3535 O O . HOH R . ? 0.6055 0.6191 0.5361 -0.0603 -0.0392 -0.0328 2021 HOH A O 3536 O O . HOH R . ? 0.6431 0.6129 0.5570 -0.0604 -0.0306 -0.0215 2022 HOH A O 3537 O O . HOH R . ? 0.4277 0.3834 0.3253 -0.0167 -0.0371 -0.0182 2023 HOH A O 3538 O O . HOH R . ? 0.5041 0.4366 0.3807 0.0013 -0.0445 -0.0191 2024 HOH A O 3539 O O . HOH R . ? 0.6764 0.7193 0.6150 0.0185 -0.0423 -0.0214 2025 HOH A O 3540 O O . HOH R . ? 0.2006 0.2836 0.1555 -0.0189 -0.0245 -0.0201 2026 HOH A O 3541 O O . HOH R . ? 0.2494 0.3376 0.1879 0.0095 -0.0151 -0.0207 2027 HOH A O 3542 O O . HOH R . ? 0.3347 0.4322 0.2235 0.0497 -0.0115 -0.0338 2028 HOH A O 3543 O O . HOH R . ? 0.4992 0.5816 0.3645 0.0656 -0.0144 -0.0461 2029 HOH A O 3544 O O . HOH R . ? 0.5683 0.6293 0.4251 0.0826 -0.0150 -0.0552 2030 HOH A O 3545 O O . HOH R . ? 0.6073 0.6744 0.4727 0.0975 -0.0104 -0.0538 2031 HOH A O 3546 O O . HOH R . ? 0.5782 0.6444 0.5425 -0.0270 -0.0194 -0.0107 2032 HOH A O 3547 O O . HOH R . ? 0.2454 0.2584 0.1742 -0.0488 0.0087 0.0018 2033 HOH A O 3548 O O . HOH R . ? 0.2924 0.3822 0.2618 -0.0012 -0.0179 -0.0163 2034 HOH A O 3549 O O . HOH R . ? 0.2476 0.2991 0.2032 -0.0206 -0.0173 -0.0114 2035 HOH A O 3550 O O . HOH R . ? 0.4940 0.5393 0.4448 -0.0128 -0.0248 -0.0161 2036 HOH A O 3551 O O . HOH R . ? 0.3820 0.4347 0.3293 0.0113 -0.0355 -0.0216 2037 HOH A O 3552 O O . HOH R . ? 0.4219 0.4940 0.3851 -0.0136 -0.0355 -0.0151 2038 HOH A O 3553 O O . HOH R . ? 0.3761 0.4166 0.3259 -0.0205 -0.0233 -0.0127 2039 HOH A O 3554 O O . HOH R . ? 0.4434 0.4736 0.3706 0.0289 -0.0402 -0.0268 2040 HOH A O 3555 O O . HOH R . ? 0.5388 0.5869 0.3618 0.0554 -0.0442 -0.0697 2041 HOH A O 3556 O O . HOH R . ? 0.5380 0.4874 0.4250 0.0050 -0.0436 -0.0254 2042 HOH A O 3557 O O . HOH R . ? 0.3871 0.3550 0.2694 0.0243 -0.0426 -0.0430 2043 HOH A O 3558 O O . HOH R . ? 0.7044 0.8228 0.5492 0.0743 0.0375 0.0100 2044 HOH A O 3559 O O . HOH R . ? 0.5883 0.5442 0.4546 0.0469 -0.0441 -0.0461 2045 HOH A O 3560 O O . HOH R . ? 0.2329 0.3131 0.1964 -0.0299 0.0084 0.0063 2046 HOH A O 3561 O O . HOH R . ? 0.4416 0.6153 0.4582 -0.0660 -0.0088 -0.0016 2047 HOH A O 3562 O O . HOH R . ? 0.6483 0.6431 0.5640 -0.0898 -0.0527 -0.0465 2048 HOH A O 3563 O O . HOH R . ? 0.3604 0.5479 0.2925 0.0739 -0.0056 0.0209 2049 HOH A O 3564 O O . HOH R . ? 0.6009 0.7564 0.5855 -0.0989 -0.0667 -0.0472 2050 HOH A O 3565 O O . HOH R . ? 0.5299 0.5478 0.4460 -0.0538 0.0453 0.0234 2051 HOH A O 3566 O O . HOH R . ? 0.7477 0.7212 0.6427 -0.0863 0.0516 0.0251 2052 HOH A O 3567 O O . HOH R . ? 0.6957 0.7091 0.5980 -0.0551 0.0628 0.0347 2053 HOH A O 3568 O O . HOH R . ? 0.5636 0.5489 0.4080 -0.0333 -0.0792 -0.0853 2054 HOH A O 3569 O O . HOH R . ? 0.8887 0.8141 0.7052 -0.0413 -0.0814 -0.0919 2055 HOH A O 3570 O O . HOH R . ? 0.6392 0.5511 0.4368 0.0062 -0.0685 -0.0895 2056 HOH A O 3571 O O . HOH R . ? 0.6332 0.5325 0.4514 -0.0234 -0.0678 -0.0793 2057 HOH A O 3572 O O . HOH R . ? 0.7976 0.7876 0.6310 0.1248 -0.0288 -0.0623 2058 HOH A O 3573 O O . HOH R . ? 0.8209 0.5619 0.4981 -0.0135 0.0412 -0.0109 2059 HOH A O 3574 O O . HOH R . ? 0.4485 0.5343 0.3893 0.0581 -0.0270 -0.0322 2060 HOH A O 3575 O O . HOH R . ? 0.2396 0.4033 0.2187 0.0396 0.0040 -0.0176 2061 HOH A O 3576 O O . HOH R . ? 0.2734 0.3972 0.2531 0.0003 -0.0009 -0.0103 2062 HOH A O 3577 O O . HOH R . ? 0.2809 0.4436 0.2563 0.0084 0.0314 0.0030 2063 HOH A O 3578 O O . HOH R . ? 0.3914 0.5350 0.3887 -0.0390 0.0192 0.0045 2064 HOH A O 3579 O O . HOH R . ? 0.4718 0.6208 0.4789 -0.0337 -0.0026 -0.0051 2065 HOH A O 3580 O O . HOH R . ? 0.1937 0.2583 0.1564 -0.0227 -0.0151 -0.0102 2066 HOH A O 3581 O O . HOH R . ? 0.2374 0.3346 0.2198 -0.0477 -0.0078 -0.0057 2067 HOH A O 3582 O O . HOH R . ? 0.2880 0.4323 0.2914 -0.0494 0.0124 0.0022 2068 HOH A O 3583 O O . HOH R . ? 0.2388 0.2754 0.1836 -0.0431 0.0026 -0.0007 2069 HOH A O 3584 O O . HOH R . ? 0.5260 0.5379 0.4553 -0.0699 0.0124 0.0028 2070 HOH A O 3585 O O . HOH R . ? 0.3150 0.3377 0.2486 -0.0569 0.0171 0.0061 2071 HOH A O 3586 O O . HOH R . ? 0.3121 0.3618 0.2566 -0.0545 0.0281 0.0124 2072 HOH A O 3587 O O . HOH R . ? 0.5354 0.5790 0.4820 -0.0742 0.0238 0.0094 2073 HOH A O 3588 O O . HOH R . ? 0.4535 0.4940 0.4023 -0.0818 0.0087 0.0011 2074 HOH A O 3589 O O . HOH R . ? 0.1742 0.2452 0.1248 -0.0172 0.0129 0.0038 2075 HOH A O 3590 O O . HOH R . ? 0.2362 0.2919 0.1764 -0.0293 0.0262 0.0122 2076 HOH A O 3591 O O . HOH R . ? 0.1867 0.2744 0.1425 -0.0123 0.0139 0.0026 2077 HOH A O 3592 O O . HOH R . ? 0.2086 0.3006 0.1642 -0.0180 0.0235 0.0081 2078 HOH A O 3593 O O . HOH R . ? 0.4515 0.5494 0.3578 0.0937 -0.0085 -0.0431 2079 HOH A O 3594 O O . HOH R . ? 0.7701 0.7327 0.5767 0.0832 -0.0383 -0.0766 2080 HOH A O 3595 O O . HOH R . ? 0.8049 0.7471 0.5777 0.0915 -0.0418 -0.0881 2081 HOH A O 3596 O O . HOH R . ? 0.6767 0.6512 0.4711 0.0574 -0.0513 -0.0860 2082 HOH A O 3597 O O . HOH R . ? 0.7904 0.7366 0.5470 0.0214 -0.0838 -0.1108 2083 HOH A O 3598 O O . HOH R . ? 0.6155 0.6560 0.4855 -0.0848 -0.1045 -0.0955 2084 HOH A O 3599 O O . HOH R . ? 0.4300 0.4900 0.2698 0.0407 -0.0499 -0.0665 2085 HOH A O 3600 O O . HOH R . ? 0.3487 0.4630 0.2404 0.0395 -0.0240 -0.0283 2086 HOH A O 3601 O O . HOH R . ? 0.4486 0.5670 0.2963 0.0717 -0.0059 -0.0205 2087 HOH A O 3602 O O . HOH R . ? 0.2947 0.4069 0.1684 0.0616 0.0004 -0.0241 2088 HOH A O 3603 O O . HOH R . ? 0.3411 0.4652 0.2304 0.0577 0.0193 -0.0104 2089 HOH A O 3604 O O . HOH R . ? 0.3814 0.4937 0.2476 0.0603 0.0292 0.0098 2090 HOH A O 3605 O O . HOH R . ? 0.2766 0.4178 0.1696 0.0569 0.0444 0.0047 2091 HOH A O 3606 O O . HOH R . ? 0.2645 0.4235 0.2225 0.0208 0.0365 0.0036 2092 HOH A O 3607 O O . HOH R . ? 0.3776 0.5523 0.3378 0.0145 0.0537 0.0138 2093 HOH A O 3608 O O . HOH R . ? 0.5201 0.6557 0.4494 0.0107 0.0612 0.0242 2094 HOH A O 3609 O O . HOH R . ? 0.3650 0.5256 0.3038 0.0141 0.0671 0.0238 2095 HOH A O 3610 O O . HOH R . ? 0.7595 0.8379 0.6520 0.0053 0.0689 0.0384 2096 HOH A O 3611 O O . HOH R . ? 0.5367 0.6084 0.3919 0.0401 0.0634 0.0402 2097 HOH A O 3612 O O . HOH R . ? 0.4535 0.4924 0.3390 0.0084 0.0514 0.0337 2098 HOH A O 3613 O O . HOH R . ? 0.4345 0.4963 0.3383 0.0088 0.0416 0.0252 2099 HOH A O 3614 O O . HOH R . ? 0.4114 0.4826 0.3055 0.0243 0.0386 0.0248 2100 HOH A O 3615 O O . HOH R . ? 0.6160 0.6433 0.4734 0.0272 0.0580 0.0427 2101 HOH A O 3616 O O . HOH R . ? 0.3392 0.3927 0.2264 0.0239 0.0404 0.0289 2102 HOH A O 3617 O O . HOH R . ? 0.6041 0.6592 0.4276 0.0874 0.0400 0.0474 2103 HOH A O 3618 O O . HOH R . ? 0.4731 0.4518 0.3064 0.0453 0.0564 0.0472 2104 HOH A O 3619 O O . HOH R . ? 0.6381 0.7223 0.4844 0.0987 0.0267 0.0438 2105 HOH A O 3620 O O . HOH R . ? 0.4449 0.5613 0.3038 0.0856 0.0106 0.0272 2106 HOH A O 3621 O O . HOH R . ? 0.6158 0.8037 0.5058 0.0979 -0.0146 0.0212 2107 HOH A O 3622 O O . HOH R . ? 0.3607 0.5109 0.2726 0.0629 -0.0047 0.0149 2108 HOH A O 3623 O O . HOH R . ? 0.2220 0.3263 0.1700 0.0050 -0.0111 -0.0079 2109 HOH A O 3624 O O . HOH R . ? 0.3666 0.4730 0.3430 -0.0293 0.0045 0.0049 2110 HOH A O 3625 O O . HOH R . ? 0.3413 0.4298 0.3051 -0.0188 0.0075 0.0063 2111 HOH A O 3626 O O . HOH R . ? 0.3580 0.4397 0.3096 -0.0034 0.0180 0.0126 2112 HOH A O 3627 O O . HOH R . ? 0.5324 0.6233 0.4811 -0.0104 0.0429 0.0239 2113 HOH A O 3628 O O . HOH R . ? 0.2062 0.2954 0.1700 -0.0255 0.0173 0.0116 2114 HOH A O 3629 O O . HOH R . ? 0.5309 0.6636 0.5148 -0.0352 0.0321 0.0208 2115 HOH A O 3630 O O . HOH R . ? 0.3828 0.5006 0.3671 -0.0413 0.0114 0.0092 2116 HOH A O 3631 O O . HOH R . ? 0.3132 0.4924 0.3007 0.0155 0.0095 0.0156 2117 HOH A O 3632 O O . HOH R . ? 0.4245 0.5563 0.4224 -0.0657 -0.0086 -0.0032 2118 HOH A O 3633 O O . HOH R . ? 0.4881 0.6116 0.4809 -0.0738 -0.0223 -0.0135 2119 HOH A O 3634 O O . HOH R . ? 0.2345 0.4572 0.2477 -0.0228 -0.0270 -0.0073 2120 HOH A O 3635 O O . HOH R . ? 0.4127 0.5843 0.3560 0.0550 -0.0028 0.0168 2121 HOH A O 3636 O O . HOH R . ? 0.2367 0.2782 0.1278 0.0172 0.0392 0.0281 2122 HOH A O 3637 O O . HOH R . ? 0.7126 0.6615 0.5455 0.0007 0.0704 0.0487 2123 HOH A O 3638 O O . HOH R . ? 0.6988 0.6453 0.5048 0.0462 0.0683 0.0561 2124 HOH A O 3639 O O . HOH R . ? 0.6469 0.5932 0.4664 0.0241 0.0687 0.0517 2125 HOH A O 3640 O O . HOH R . ? 0.4804 0.4716 0.3403 0.0337 0.0465 0.0365 2126 HOH A O 3641 O O . HOH R . ? 0.3930 0.3764 0.2759 -0.0032 0.0385 0.0237 2127 HOH A O 3642 O O . HOH R . ? 0.2843 0.3156 0.1763 0.0034 0.0455 0.0299 2128 HOH A O 3643 O O . HOH R . ? 0.2190 0.2448 0.1346 -0.0189 0.0318 0.0179 2129 HOH A O 3644 O O . HOH R . ? 0.4714 0.4683 0.3808 -0.0600 0.0386 0.0187 2130 HOH A O 3645 O O . HOH R . ? 0.5119 0.5172 0.4093 -0.0419 0.0554 0.0313 2131 HOH A O 3646 O O . HOH R . ? 0.3241 0.3752 0.2621 -0.0481 0.0374 0.0181 2132 HOH A O 3647 O O . HOH R . ? 0.2163 0.3066 0.1453 0.0260 0.0119 0.0145 2133 HOH A O 3648 O O . HOH R . ? 0.2805 0.3629 0.2035 0.0322 0.0183 0.0197 2134 HOH A O 3649 O O . HOH R . ? 0.4435 0.4983 0.3313 0.0640 0.0365 0.0349 2135 HOH A O 3650 O O . HOH R . ? 0.3404 0.4220 0.2560 0.0465 0.0258 0.0263 2136 HOH A O 3651 O O . HOH R . ? 0.5858 0.6031 0.4333 0.0717 0.0451 0.0449 2137 HOH A O 3652 O O . HOH R . ? 0.6579 0.7223 0.5485 0.0727 0.0394 0.0367 2138 HOH A O 3653 O O . HOH R . ? 0.2474 0.4262 0.1832 0.0765 0.0048 0.0267 2139 HOH A O 3654 O O . HOH R . ? 0.2568 0.4055 0.2235 0.0281 0.0179 0.0200 2140 HOH A O 3655 O O . HOH R . ? 0.5531 0.5921 0.4395 0.0610 0.0450 0.0337 2141 HOH A O 3656 O O . HOH R . ? 0.2483 0.3150 0.1667 0.0318 0.0249 0.0222 2142 HOH A O 3657 O O . HOH R . ? 0.1950 0.2697 0.1348 0.0081 0.0124 0.0110 2143 HOH A O 3658 O O . HOH R . ? 0.2176 0.2846 0.1677 -0.0131 0.0116 0.0079 2144 HOH A O 3659 O O . HOH R . ? 0.1794 0.2343 0.1332 -0.0222 -0.0113 -0.0086 2145 HOH A O 3660 O O . HOH R . ? 0.6644 0.8111 0.5252 0.0721 -0.0215 -0.0091 2146 HOH A O 3661 O O . HOH R . ? 0.6132 0.7382 0.4645 0.0733 -0.0015 -0.0038 2147 HOH A O 3662 O O . HOH R . ? 0.3328 0.4299 0.2490 0.0229 0.0247 0.0098 2148 HOH A O 3663 O O . HOH R . ? 0.2726 0.3028 0.1925 -0.0063 0.0217 0.0132 2149 HOH A O 3664 O O . HOH R . ? 0.2178 0.2326 0.1379 -0.0155 0.0161 0.0080 2150 HOH A O 3665 O O . HOH R . ? 0.1971 0.2375 0.1175 0.0058 0.0211 0.0148 2151 HOH A O 3666 O O . HOH R . ? 0.2144 0.2556 0.1323 0.0121 0.0238 0.0170 2152 HOH A O 3667 O O . HOH R . ? 0.4904 0.4348 0.3579 -0.0173 0.0352 0.0160 2153 HOH A O 3668 O O . HOH R . ? 0.5543 0.4676 0.3917 -0.0113 0.0522 0.0288 2154 HOH A O 3669 O O . HOH R . ? 0.2176 0.2580 0.1386 0.0087 0.0263 0.0163 2155 HOH A O 3670 O O . HOH R . ? 0.1870 0.2332 0.1227 -0.0082 0.0161 0.0096 2156 HOH A O 3671 O O . HOH R . ? 0.2981 0.3915 0.2503 0.0066 0.0179 0.0143 2157 HOH A O 3672 O O . HOH R . ? 0.1908 0.2508 0.1103 0.0221 0.0217 0.0188 2158 HOH A O 3673 O O . HOH R . ? 0.4900 0.5727 0.4027 0.0110 0.0401 0.0210 2159 HOH A O 3674 O O . HOH R . ? 0.3106 0.4130 0.2672 -0.0209 0.0329 0.0128 2160 HOH A O 3675 O O . HOH R . ? 0.3266 0.4867 0.2342 0.0522 0.0569 0.0102 2161 HOH A O 3676 O O . HOH R . ? 0.2692 0.4408 0.2000 0.0283 0.0704 0.0222 2162 HOH A O 3677 O O . HOH R . ? 0.3705 0.2909 0.2300 -0.0880 -0.0040 -0.0119 2163 HOH A O 3678 O O . HOH R . ? 0.4361 0.5589 0.3312 0.0589 0.0134 -0.0185 2164 HOH A O 3679 O O . HOH R . ? 0.6745 0.7676 0.5393 0.0780 -0.0041 -0.0435 2165 HOH A O 3680 O O . HOH R . ? 0.7409 0.8551 0.5924 0.0990 0.0134 -0.0388 2166 HOH A O 3681 O O . HOH R . ? 0.4164 0.5823 0.3277 0.0804 -0.0020 0.0235 2167 HOH A O 3682 O O . HOH R . ? 0.4203 0.5994 0.3018 0.0692 -0.0359 -0.0097 2168 HOH A O 3683 O O . HOH R . ? 0.3709 0.4004 0.3046 -0.0193 0.0081 0.0037 2169 HOH A O 3684 O O . HOH R . ? 0.3529 0.3189 0.2400 -0.0257 0.0274 0.0120 3001 HOH A O 3685 O O . HOH R . ? 0.2910 0.3529 0.2277 0.0013 0.0259 0.0156 3002 HOH A O 3686 O O . HOH R . ? 0.7621 0.6735 0.5903 -0.1408 -0.1021 -0.1018 3004 HOH A O 3687 O O . HOH R . ? 0.9244 0.8613 0.7061 0.1256 0.0758 0.0576 3005 HOH A O 3688 O O . HOH S . ? 0.2670 0.2450 0.1653 -0.0655 -0.0195 -0.0121 2001 HOH B O 3689 O O . HOH S . ? 0.3932 0.3179 0.2519 -0.0781 -0.0090 -0.0131 2002 HOH B O 3690 O O . HOH S . ? 0.3511 0.2632 0.2063 -0.0746 0.0075 -0.0059 2003 HOH B O 3691 O O . HOH S . ? 0.4180 0.2601 0.2042 -0.0750 -0.0016 -0.0179 2004 HOH B O 3692 O O . HOH S . ? 0.4774 0.3581 0.3056 -0.0888 0.0003 -0.0133 2005 HOH B O 3693 O O . HOH S . ? 0.4211 0.2526 0.1917 -0.0643 -0.0001 -0.0179 2006 HOH B O 3694 O O . HOH S . ? 0.6426 0.7060 0.5908 -0.1231 -0.0472 -0.0244 2007 HOH B O 3695 O O . HOH S . ? 0.3680 0.2619 0.1632 -0.0900 -0.0540 -0.0335 2008 HOH B O 3696 O O . HOH S . ? 0.3045 0.3023 0.1792 -0.0700 -0.0719 -0.0269 2009 HOH B O 3697 O O . HOH S . ? 0.3862 0.3828 0.2457 -0.0510 -0.0844 -0.0251 2010 HOH B O 3698 O O . HOH S . ? 0.3457 0.3157 0.1976 -0.0617 -0.0678 -0.0245 2011 HOH B O 3699 O O . HOH S . ? 0.5970 0.4872 0.3652 -0.0532 -0.0633 -0.0243 2012 HOH B O 3700 O O . HOH S . ? 0.3858 0.3771 0.2546 -0.0486 -0.0713 -0.0213 2013 HOH B O 3701 O O . HOH S . ? 0.4383 0.4221 0.2970 -0.0300 -0.0751 -0.0167 2014 HOH B O 3702 O O . HOH S . ? 0.4127 0.4821 0.3744 -0.0515 -0.0331 -0.0135 2015 HOH B O 3703 O O . HOH S . ? 0.5062 0.5963 0.4811 -0.0588 -0.0318 -0.0134 2016 HOH B O 3704 O O . HOH S . ? 0.2411 0.2557 0.1347 -0.0358 -0.0690 -0.0179 2017 HOH B O 3705 O O . HOH S . ? 0.6043 0.7634 0.6023 0.0076 -0.0574 -0.0180 2018 HOH B O 3706 O O . HOH S . ? 0.4465 0.5336 0.4155 -0.0408 -0.0420 -0.0153 2019 HOH B O 3707 O O . HOH S . ? 0.3007 0.3540 0.2552 -0.0420 -0.0267 -0.0114 2020 HOH B O 3708 O O . HOH S . ? 0.2136 0.2045 0.1183 -0.0456 -0.0302 -0.0111 2021 HOH B O 3709 O O . HOH S . ? 0.3189 0.2572 0.1771 -0.0344 -0.0250 -0.0021 2022 HOH B O 3710 O O . HOH S . ? 0.4759 0.3360 0.2379 -0.0200 -0.0346 0.0080 2023 HOH B O 3711 O O . HOH S . ? 0.6875 0.7499 0.5484 0.0589 -0.1284 -0.0120 2024 HOH B O 3712 O O . HOH S . ? 0.7181 0.5414 0.4498 0.0117 -0.0571 0.0158 2025 HOH B O 3713 O O . HOH S . ? 0.5533 0.4047 0.3204 0.0347 -0.0700 0.0074 2026 HOH B O 3714 O O . HOH S . ? 0.5444 0.6334 0.5129 -0.0664 0.0293 0.0195 2027 HOH B O 3715 O O . HOH S . ? 0.3447 0.3029 0.2459 -0.0400 -0.0225 -0.0060 2028 HOH B O 3716 O O . HOH S . ? 0.2675 0.2793 0.2027 -0.0326 -0.0179 -0.0087 2029 HOH B O 3717 O O . HOH S . ? 0.7184 0.5896 0.4439 0.0028 -0.0837 -0.0014 2030 HOH B O 3718 O O . HOH S . ? 0.5677 0.5797 0.4860 0.0242 -0.0455 -0.0231 2031 HOH B O 3719 O O . HOH S . ? 0.5682 0.4412 0.3214 -0.0354 -0.0519 -0.0128 2032 HOH B O 3720 O O . HOH S . ? 0.6606 0.4705 0.3444 -0.0191 -0.0199 0.0054 2033 HOH B O 3721 O O . HOH S . ? 0.4116 0.3850 0.2945 0.0248 -0.0606 -0.0131 2034 HOH B O 3722 O O . HOH S . ? 0.7851 0.5793 0.4642 0.0062 0.0518 0.0026 2035 HOH B O 3723 O O . HOH S . ? 0.8543 0.6312 0.5157 0.0181 0.0625 0.0021 2036 HOH B O 3724 O O . HOH S . ? 0.5617 0.3378 0.2783 -0.0441 0.0175 -0.0167 2037 HOH B O 3725 O O . HOH S . ? 0.8211 0.7190 0.6626 -0.0432 0.0383 0.0138 2038 HOH B O 3726 O O . HOH S . ? 0.5883 0.6755 0.5327 -0.1166 -0.0771 -0.0331 2039 HOH B O 3727 O O . HOH S . ? 0.5631 0.7547 0.5866 -0.1018 -0.0614 -0.0229 2040 HOH B O 3728 O O . HOH S . ? 0.5324 0.7005 0.5086 -0.0901 -0.1059 -0.0350 2041 HOH B O 3729 O O . HOH S . ? 0.5497 0.8298 0.5586 -0.0314 -0.1454 -0.0338 2042 HOH B O 3730 O O . HOH S . ? 0.7309 0.8404 0.6372 0.0024 -0.1249 -0.0231 2043 HOH B O 3731 O O . HOH S . ? 0.5080 0.5698 0.3849 -0.0117 -0.1181 -0.0234 2044 HOH B O 3732 O O . HOH S . ? 0.5509 0.6738 0.5130 -0.0111 -0.0818 -0.0199 2045 HOH B O 3733 O O . HOH S . ? 0.6977 0.7294 0.5487 0.0422 -0.1180 -0.0115 2046 HOH B O 3734 O O . HOH S . ? 0.6024 0.4618 0.4266 -0.0084 -0.0427 -0.0054 2047 HOH B O 3735 O O . HOH S . ? 0.4055 0.2562 0.2230 -0.0522 -0.0131 0.0133 2048 HOH B O 3736 O O . HOH S . ? 0.4005 0.2572 0.2300 -0.0497 -0.0206 0.0055 2049 HOH B O 3737 O O . HOH S . ? 0.6349 0.6730 0.5242 0.0478 0.0614 0.0306 2050 HOH B O 3738 O O . HOH S . ? 0.6907 0.6837 0.6189 -0.0812 -0.0044 0.0009 2051 HOH B O 3739 O O . HOH S . ? 0.2470 0.2553 0.1809 -0.0392 -0.0156 -0.0073 2052 HOH B O 3740 O O . HOH S . ? 0.2348 0.2714 0.1867 -0.0658 -0.0069 -0.0027 2053 HOH B O 3741 O O . HOH S . ? 0.3861 0.4028 0.3235 -0.0868 0.0118 0.0112 2054 HOH B O 3742 O O . HOH S . ? 0.2009 0.2597 0.1571 -0.0372 0.0029 0.0028 2055 HOH B O 3743 O O . HOH S . ? 0.2533 0.3436 0.2216 -0.0388 0.0167 0.0115 2056 HOH B O 3744 O O . HOH S . ? 0.3357 0.4074 0.2911 -0.0503 0.0280 0.0179 2057 HOH B O 3745 O O . HOH S . ? 0.4563 0.5797 0.4480 -0.0577 0.0083 0.0075 2058 HOH B O 3746 O O . HOH S . ? 0.5972 0.7036 0.5869 -0.0871 0.0038 0.0044 2059 HOH B O 3747 O O . HOH S . ? 0.3068 0.3314 0.2298 -0.0393 0.0265 0.0160 2060 HOH B O 3748 O O . HOH S . ? 0.2013 0.1970 0.1116 -0.0396 0.0122 0.0091 2061 HOH B O 3749 O O . HOH S . ? 0.2555 0.2337 0.1532 -0.0448 0.0115 0.0107 2062 HOH B O 3750 O O . HOH S . ? 0.2834 0.2708 0.1837 -0.0497 0.0220 0.0164 2063 HOH B O 3751 O O . HOH S . ? 0.5836 0.5829 0.5057 -0.0823 0.0176 0.0159 2064 HOH B O 3752 O O . HOH S . ? 0.8376 0.7033 0.5896 0.0550 -0.0879 0.0081 2065 HOH B O 3753 O O . HOH S . ? 0.7665 0.7999 0.5964 0.0643 -0.1335 -0.0092 2066 HOH B O 3754 O O . HOH S . ? 0.7056 0.7341 0.5186 -0.0277 -0.1446 -0.0332 2067 HOH B O 3755 O O . HOH S . ? 0.7654 0.8465 0.6412 -0.0659 -0.1360 -0.0406 2068 HOH B O 3756 O O . HOH S . ? 0.5276 0.4205 0.2759 -0.0091 -0.0840 -0.0080 2069 HOH B O 3757 O O . HOH S . ? 0.6881 0.5579 0.4202 -0.0152 -0.0712 -0.0065 2070 HOH B O 3758 O O . HOH S . ? 0.5227 0.3933 0.2846 -0.0320 -0.0363 -0.0058 2071 HOH B O 3759 O O . HOH S . ? 0.5555 0.3868 0.2795 -0.0210 -0.0191 0.0131 2072 HOH B O 3760 O O . HOH S . ? 0.4814 0.3141 0.2159 -0.0279 0.0029 0.0225 2073 HOH B O 3761 O O . HOH S . ? 0.7405 0.5516 0.4361 -0.0212 0.0080 0.0219 2074 HOH B O 3762 O O . HOH S . ? 0.6792 0.4958 0.3782 -0.0201 -0.0103 0.0122 2075 HOH B O 3763 O O . HOH S . ? 0.5988 0.4343 0.3187 -0.0216 0.0271 0.0204 2076 HOH B O 3764 O O . HOH S . ? 0.4046 0.2313 0.1325 -0.0361 0.0286 0.0357 2077 HOH B O 3765 O O . HOH S . ? 0.9126 0.7766 0.6538 -0.0270 0.0594 0.0369 2078 HOH B O 3766 O O . HOH S . ? 0.5717 0.4840 0.3813 -0.0548 0.0575 0.0411 2079 HOH B O 3767 O O . HOH S . ? 0.4876 0.3754 0.2984 -0.0702 0.0416 0.0392 2080 HOH B O 3768 O O . HOH S . ? 0.6243 0.5645 0.4384 -0.0340 0.0726 0.0402 2081 HOH B O 3769 O O . HOH S . ? 0.6222 0.5258 0.4245 -0.0268 0.0336 0.0183 2082 HOH B O 3770 O O . HOH S . ? 0.5843 0.4830 0.3497 -0.0150 0.0733 0.0350 2083 HOH B O 3771 O O . HOH S . ? 0.5114 0.4798 0.3579 -0.0140 0.0605 0.0271 2084 HOH B O 3772 O O . HOH S . ? 0.5616 0.5147 0.4060 -0.0232 0.0470 0.0226 2085 HOH B O 3773 O O . HOH S . ? 0.5559 0.4758 0.3687 -0.0205 0.0441 0.0200 2086 HOH B O 3774 O O . HOH S . ? 0.4284 0.3582 0.2477 -0.0124 0.0498 0.0196 2087 HOH B O 3775 O O . HOH S . ? 0.6050 0.4542 0.3285 0.0030 0.0609 0.0168 2088 HOH B O 3776 O O . HOH S . ? 0.8557 0.6760 0.5577 0.0167 0.0651 0.0093 2089 HOH B O 3777 O O . HOH S . ? 0.5831 0.5129 0.3879 0.0309 0.0739 0.0228 2090 HOH B O 3778 O O . HOH S . ? 0.6703 0.5285 0.4255 0.0174 0.0618 0.0111 2091 HOH B O 3779 O O . HOH S . ? 0.7744 0.5576 0.4606 0.0128 0.0571 0.0000 2092 HOH B O 3780 O O . HOH S . ? 0.6223 0.4135 0.3096 -0.0093 0.0331 -0.0045 2093 HOH B O 3781 O O . HOH S . ? 0.7421 0.5386 0.4356 -0.0216 0.0158 -0.0087 2094 HOH B O 3782 O O . HOH S . ? 0.9581 0.7393 0.6611 -0.0045 0.0439 -0.0049 2095 HOH B O 3783 O O . HOH S . ? 0.6213 0.4009 0.3324 -0.0325 0.0219 -0.0141 2096 HOH B O 3784 O O . HOH S . ? 0.5112 0.3231 0.2447 -0.0333 0.0146 -0.0120 2097 HOH B O 3785 O O . HOH S . ? 0.2735 0.2122 0.1335 -0.0431 -0.0115 -0.0060 2098 HOH B O 3786 O O . HOH S . ? 0.3570 0.3462 0.2691 -0.0471 0.0090 0.0013 2099 HOH B O 3787 O O . HOH S . ? 0.3384 0.3374 0.2589 -0.0598 0.0055 -0.0006 2100 HOH B O 3788 O O . HOH S . ? 0.6422 0.5568 0.4991 -0.0535 0.0265 0.0064 2101 HOH B O 3789 O O . HOH S . ? 0.3947 0.3603 0.2862 -0.0364 0.0201 0.0067 2102 HOH B O 3790 O O . HOH S . ? 0.6926 0.6011 0.5471 -0.0653 0.0335 0.0107 2103 HOH B O 3791 O O . HOH S . ? 0.2953 0.2965 0.2141 -0.0501 0.0180 0.0066 2104 HOH B O 3792 O O . HOH S . ? 0.5076 0.3916 0.3421 -0.0691 0.0182 -0.0022 2105 HOH B O 3793 O O . HOH S . ? 0.3403 0.3868 0.2925 -0.0888 -0.0090 -0.0073 2106 HOH B O 3794 O O . HOH S . ? 0.5578 0.6184 0.5155 -0.0889 -0.0242 -0.0130 2107 HOH B O 3795 O O . HOH S . ? 0.6993 0.5192 0.4465 -0.0236 0.0277 -0.0062 2108 HOH B O 3796 O O . HOH S . ? 0.5373 0.3545 0.2952 -0.0459 0.0159 -0.0119 2109 HOH B O 3797 O O . HOH S . ? 0.6264 0.4106 0.3540 -0.0636 0.0044 -0.0220 2110 HOH B O 3798 O O . HOH S . ? 0.7016 0.5177 0.4467 -0.0110 0.0399 -0.0014 2111 HOH B O 3799 O O . HOH S . ? 0.2778 0.2275 0.1186 -0.0098 0.0483 0.0187 2112 HOH B O 3800 O O . HOH S . ? 0.6289 0.6112 0.4625 0.0362 0.0853 0.0314 2113 HOH B O 3801 O O . HOH S . ? 0.6897 0.6414 0.4937 0.0286 0.0892 0.0310 2114 HOH B O 3802 O O . HOH S . ? 0.6740 0.6187 0.4745 0.0450 0.0890 0.0289 2115 HOH B O 3803 O O . HOH S . ? 0.5822 0.6256 0.4682 0.0344 0.0757 0.0333 2116 HOH B O 3804 O O . HOH S . ? 0.3575 0.3737 0.2559 0.0050 0.0431 0.0196 2117 HOH B O 3805 O O . HOH S . ? 0.3159 0.2938 0.1772 -0.0128 0.0532 0.0234 2118 HOH B O 3806 O O . HOH S . ? 0.2798 0.3017 0.1913 -0.0202 0.0353 0.0178 2119 HOH B O 3807 O O . HOH S . ? 0.6293 0.6124 0.4746 -0.0018 0.0750 0.0320 2120 HOH B O 3808 O O . HOH S . ? 0.2893 0.3500 0.2307 -0.0466 0.0387 0.0232 2121 HOH B O 3809 O O . HOH S . ? 0.2687 0.1793 0.1031 -0.0264 0.0204 0.0015 2122 HOH B O 3810 O O . HOH S . ? 0.4194 0.3227 0.2479 -0.0187 0.0291 0.0043 2123 HOH B O 3811 O O . HOH S . ? 0.5688 0.4324 0.3565 0.0081 0.0511 0.0111 2124 HOH B O 3812 O O . HOH S . ? 0.5960 0.3726 0.3157 -0.0194 0.0393 -0.0057 2125 HOH B O 3813 O O . HOH S . ? 0.6641 0.5285 0.4284 0.0289 0.0667 0.0142 2126 HOH B O 3814 O O . HOH S . ? 0.8806 0.7478 0.6385 0.0699 0.0838 0.0262 2127 HOH B O 3815 O O . HOH S . ? 0.4712 0.2499 0.1989 -0.0390 0.0276 -0.0109 2128 HOH B O 3816 O O . HOH S . ? 0.4053 0.2839 0.2322 -0.0490 0.0269 0.0027 2129 HOH B O 3817 O O . HOH S . ? 0.5564 0.4732 0.4060 -0.0235 0.0328 0.0105 2130 HOH B O 3818 O O . HOH S . ? 0.3284 0.2427 0.1672 -0.0125 0.0336 0.0082 2131 HOH B O 3819 O O . HOH S . ? 0.2588 0.2089 0.1333 -0.0283 0.0168 0.0033 2132 HOH B O 3820 O O . HOH S . ? 0.2854 0.2767 0.1963 -0.0346 0.0128 0.0041 2133 HOH B O 3821 O O . HOH S . ? 0.1830 0.1952 0.1138 -0.0346 -0.0132 -0.0059 2134 HOH B O 3822 O O . HOH S . ? 0.6643 0.4682 0.3451 -0.0204 -0.0003 0.0012 2135 HOH B O 3823 O O . HOH S . ? 0.6959 0.4877 0.3685 -0.0289 -0.0114 -0.0127 2136 HOH B O 3824 O O . HOH S . ? 0.5828 0.3921 0.2809 -0.0396 -0.0220 -0.0181 2137 HOH B O 3825 O O . HOH S . ? 0.4193 0.3300 0.2366 -0.0321 0.0239 0.0160 2138 HOH B O 3826 O O . HOH S . ? 0.3203 0.3183 0.2221 -0.0158 0.0251 0.0110 2139 HOH B O 3827 O O . HOH S . ? 0.1980 0.2193 0.1212 -0.0139 0.0164 0.0082 2140 HOH B O 3828 O O . HOH S . ? 0.2477 0.2192 0.1314 -0.0145 0.0254 0.0091 2141 HOH B O 3829 O O . HOH S . ? 0.2424 0.2028 0.1178 -0.0114 0.0285 0.0099 2142 HOH B O 3830 O O . HOH S . ? 0.5967 0.6627 0.5113 0.0320 0.0552 0.0287 2143 HOH B O 3831 O O . HOH S . ? 0.1870 0.2302 0.1155 -0.0012 0.0231 0.0134 2144 HOH B O 3832 O O . HOH S . ? 0.2601 0.2271 0.1431 -0.0122 0.0283 0.0119 2145 HOH B O 3833 O O . HOH S . ? 0.2761 0.2701 0.1851 -0.0236 0.0165 0.0067 2146 HOH B O 3834 O O . HOH S . ? 0.4580 0.4006 0.3320 -0.0368 0.0215 0.0056 2147 HOH B O 3835 O O . HOH S . ? 0.5644 0.5007 0.4131 0.0110 0.0445 0.0197 2148 HOH B O 3836 O O . HOH S . ? 0.2553 0.1886 0.1077 -0.0140 0.0299 0.0077 2149 HOH B O 3837 O O . HOH S . ? 0.5732 0.5064 0.4044 -0.0309 0.0399 0.0224 2150 HOH B O 3838 O O . HOH S . ? 0.3553 0.3422 0.2510 -0.0559 0.0310 0.0221 2151 HOH B O 3839 O O . HOH S . ? 0.3972 0.2560 0.1627 -0.0629 0.0577 0.0498 2152 HOH B O 3840 O O . HOH S . ? 0.5745 0.4056 0.3145 -0.0263 -0.0085 0.0215 2153 HOH B O 3841 O O . HOH S . ? 0.5408 0.3574 0.2617 -0.0308 0.0119 0.0310 2154 HOH B O 3842 O O . HOH S . ? 0.8042 0.5541 0.4951 -0.0143 -0.0210 0.0348 2155 HOH B O 3843 O O . HOH S . ? 0.9140 0.6461 0.5555 0.0071 -0.0333 0.0380 2156 HOH B O 3844 O O . HOH S . ? 0.6495 0.4352 0.3236 -0.0462 -0.0262 -0.0260 2157 HOH B O 3845 O O . HOH S . ? 0.8456 0.6014 0.5015 -0.0382 -0.0037 -0.0246 2158 HOH B O 3846 O O . HOH S . ? 0.3826 0.4039 0.3118 -0.0218 0.0084 0.0038 2159 HOH B O 3847 O O . HOH S . ? 0.4460 0.4625 0.3544 -0.0084 0.0324 0.0152 3003 HOH B O 3848 O O . HOH S . ? 0.6851 0.9223 0.6602 -0.0403 -0.1516 -0.0368 3006 HOH B O # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ILE 1 16 16 ILE ILE A . n A 1 2 VAL 2 17 17 VAL VAL A . n A 1 3 GLY 3 18 18 GLY GLY A . n A 1 4 GLY 4 19 19 GLY GLY A . n A 1 5 ARG 5 20 20 ARG ARG A . n A 1 6 ARG 6 21 21 ARG ARG A . n A 1 7 ALA 7 22 22 ALA ALA A . n A 1 8 ARG 8 23 23 ARG ARG A . n A 1 9 PRO 9 24 24 PRO PRO A . n A 1 10 HIS 10 25 25 HIS HIS A . n A 1 11 ALA 11 26 26 ALA ALA A . n A 1 12 TRP 12 27 27 TRP TRP A . n A 1 13 PRO 13 28 28 PRO PRO A . n A 1 14 PHE 14 29 29 PHE PHE A . n A 1 15 MET 15 30 30 MET MET A . n A 1 16 VAL 16 31 31 VAL VAL A . n A 1 17 SER 17 32 32 SER SER A . n A 1 18 LEU 18 33 33 LEU LEU A . n A 1 19 GLN 19 34 34 GLN GLN A . n A 1 20 LEU 20 35 35 LEU LEU A . n A 1 21 ARG 21 36 36 ARG ARG A . n A 1 22 GLY 22 38 38 GLY GLY A . n A 1 23 GLY 23 39 39 GLY GLY A . n A 1 24 HIS 24 40 40 HIS HIS A . n A 1 25 PHE 25 41 41 PHE PHE A . n A 1 26 CYS 26 42 42 CYS CYS A . n A 1 27 GLY 27 43 43 GLY GLY A . n A 1 28 ALA 28 44 44 ALA ALA A . n A 1 29 THR 29 45 45 THR THR A . n A 1 30 LEU 30 46 46 LEU LEU A . n A 1 31 ILE 31 47 47 ILE ILE A . n A 1 32 ALA 32 48 48 ALA ALA A . n A 1 33 PRO 33 49 49 PRO PRO A . n A 1 34 ASN 34 50 50 ASN ASN A . n A 1 35 PHE 35 51 51 PHE PHE A . n A 1 36 VAL 36 52 52 VAL VAL A . n A 1 37 MET 37 53 53 MET MET A . n A 1 38 SER 38 54 54 SER SER A . n A 1 39 ALA 39 55 55 ALA ALA A . n A 1 40 ALA 40 56 56 ALA ALA A . n A 1 41 HIS 41 57 57 HIS HIS A . n A 1 42 CYS 42 58 58 CYS CYS A . n A 1 43 VAL 43 59 59 VAL VAL A . n A 1 44 ALA 44 60 60 ALA ALA A . n A 1 45 ASN 45 61 61 ASN ASN A . n A 1 46 VAL 46 62 62 VAL VAL A . n A 1 47 ASN 47 63 63 ASN ASN A . n A 1 48 VAL 48 64 64 VAL VAL A . n A 1 49 ARG 49 65 65 ARG ARG A . n A 1 50 ALA 50 66 66 ALA ALA A . n A 1 51 VAL 51 68 68 VAL VAL A . n A 1 52 ARG 52 69 69 ARG ARG A . n A 1 53 VAL 53 70 70 VAL VAL A . n A 1 54 VAL 54 71 71 VAL VAL A . n A 1 55 LEU 55 72 72 LEU LEU A . n A 1 56 GLY 56 73 73 GLY GLY A . n A 1 57 ALA 57 74 74 ALA ALA A . n A 1 58 HIS 58 75 75 HIS HIS A . n A 1 59 ASN 59 76 76 ASN ASN A . n A 1 60 LEU 60 77 77 LEU LEU A . n A 1 61 SER 61 78 78 SER SER A . n A 1 62 ARG 62 79 79 ARG ARG A . n A 1 63 ARG 63 80 80 ARG ARG A . n A 1 64 GLU 64 81 81 GLU GLU A . n A 1 65 PRO 65 82 82 PRO PRO A . n A 1 66 THR 66 83 83 THR THR A . n A 1 67 ARG 67 84 84 ARG ARG A . n A 1 68 GLN 68 85 85 GLN GLN A . n A 1 69 VAL 69 86 86 VAL VAL A . n A 1 70 PHE 70 87 87 PHE PHE A . n A 1 71 ALA 71 88 88 ALA ALA A . n A 1 72 VAL 72 89 89 VAL VAL A . n A 1 73 GLN 73 90 90 GLN GLN A . n A 1 74 ARG 74 91 91 ARG ARG A . n A 1 75 ILE 75 92 92 ILE ILE A . n A 1 76 PHE 76 93 93 PHE PHE A . n A 1 77 GLU 77 94 94 GLU GLU A . n A 1 78 ASN 78 96 96 ASN ASN A . n A 1 79 GLY 79 97 97 GLY GLY A . n A 1 80 TYR 80 98 98 TYR TYR A . n A 1 81 ASP 81 99 99 ASP ASP A . n A 1 82 PRO 82 100 100 PRO PRO A . n A 1 83 VAL 83 101 101 VAL VAL A . n A 1 84 ASN 84 102 102 ASN ASN A . n A 1 85 LEU 85 103 103 LEU LEU A . n A 1 86 LEU 86 104 104 LEU LEU A . n A 1 87 ASN 87 105 105 ASN ASN A . n A 1 88 ASP 88 106 106 ASP ASP A . n A 1 89 ILE 89 107 107 ILE ILE A . n A 1 90 VAL 90 108 108 VAL VAL A . n A 1 91 ILE 91 109 109 ILE ILE A . n A 1 92 LEU 92 110 110 LEU LEU A . n A 1 93 GLN 93 111 111 GLN GLN A . n A 1 94 LEU 94 112 112 LEU LEU A . n A 1 95 ASN 95 113 113 ASN ASN A . n A 1 96 GLY 96 114 114 GLY GLY A . n A 1 97 SER 97 115 115 SER SER A . n A 1 98 ALA 98 116 116 ALA ALA A . n A 1 99 THR 99 117 117 THR THR A . n A 1 100 ILE 100 118 118 ILE ILE A . n A 1 101 ASN 101 119 119 ASN ASN A . n A 1 102 ALA 102 120 120 ALA ALA A . n A 1 103 ASN 103 121 121 ASN ASN A . n A 1 104 VAL 104 122 122 VAL VAL A . n A 1 105 GLN 105 123 123 GLN GLN A . n A 1 106 VAL 106 124 124 VAL VAL A . n A 1 107 ALA 107 125 125 ALA ALA A . n A 1 108 GLN 108 126 126 GLN GLN A . n A 1 109 LEU 109 127 127 LEU LEU A . n A 1 110 PRO 110 128 128 PRO PRO A . n A 1 111 ALA 111 129 129 ALA ALA A . n A 1 112 GLN 112 130 130 GLN GLN A . n A 1 113 GLY 113 131 131 GLY GLY A . n A 1 114 ARG 114 132 132 ARG ARG A . n A 1 115 ARG 115 133 133 ARG ARG A . n A 1 116 LEU 116 134 134 LEU LEU A . n A 1 117 GLY 117 135 135 GLY GLY A . n A 1 118 ASN 118 136 136 ASN ASN A . n A 1 119 GLY 119 137 137 GLY GLY A . n A 1 120 VAL 120 138 138 VAL VAL A . n A 1 121 GLN 121 139 139 GLN GLN A . n A 1 122 CYS 122 140 140 CYS CYS A . n A 1 123 LEU 123 141 141 LEU LEU A . n A 1 124 ALA 124 142 142 ALA ALA A . n A 1 125 MET 125 143 143 MET MET A . n A 1 126 GLY 126 144 144 GLY GLY A . n A 1 127 TRP 127 145 145 TRP TRP A . n A 1 128 GLY 128 146 146 GLY GLY A . n A 1 129 LEU 129 147 147 LEU LEU A . n A 1 130 LEU 130 148 148 LEU LEU A . n A 1 131 GLY 131 149 149 GLY GLY A . n A 1 132 ARG 132 150 150 ARG ARG A . n A 1 133 ASN 133 151 151 ASN ASN A . n A 1 134 ARG 134 152 152 ARG ARG A . n A 1 135 GLY 135 154 154 GLY GLY A . n A 1 136 ILE 136 155 155 ILE ILE A . n A 1 137 ALA 137 156 156 ALA ALA A . n A 1 138 SER 138 157 157 SER SER A . n A 1 139 VAL 139 158 158 VAL VAL A . n A 1 140 LEU 140 159 159 LEU LEU A . n A 1 141 GLN 141 160 160 GLN GLN A . n A 1 142 GLU 142 161 161 GLU GLU A . n A 1 143 LEU 143 162 162 LEU LEU A . n A 1 144 ASN 144 163 163 ASN ASN A . n A 1 145 VAL 145 164 164 VAL VAL A . n A 1 146 THR 146 165 165 THR THR A . n A 1 147 VAL 147 166 166 VAL VAL A . n A 1 148 VAL 148 167 167 VAL VAL A . n A 1 149 THR 149 168 168 THR THR A . n A 1 150 SER 150 169 169 SER SER A . n A 1 151 LEU 151 170 170 LEU LEU A . n A 1 152 CYS 152 172 172 CYS CYS A . n A 1 153 ARG 153 181 181 ARG ARG A . n A 1 154 ARG 154 182 182 ARG ARG A . n A 1 155 SER 155 183 183 SER SER A . n A 1 156 ASN 156 184 184 ASN ASN A . n A 1 157 VAL 157 185 185 VAL VAL A . n A 1 158 CYS 158 186 186 CYS CYS A . n A 1 159 THR 159 187 187 THR THR A . n A 1 160 LEU 160 188 188 LEU LEU A . n A 1 161 VAL 161 189 189 VAL VAL A . n A 1 162 ARG 162 190 190 ARG ARG A . n A 1 163 GLY 163 191 191 GLY GLY A . n A 1 164 ARG 164 192 192 ARG ARG A . n A 1 165 GLN 165 194 194 GLN GLN A . n A 1 166 ALA 166 195 195 ALA ALA A . n A 1 167 GLY 167 196 196 GLY GLY A . n A 1 168 VAL 168 197 197 VAL VAL A . n A 1 169 CYS 169 198 198 CYS CYS A . n A 1 170 PHE 170 199 199 PHE PHE A . n A 1 171 GLY 171 200 200 GLY GLY A . n A 1 172 ASP 172 201 201 ASP ASP A . n A 1 173 SER 173 202 202 SER SER A . n A 1 174 GLY 174 203 203 GLY GLY A . n A 1 175 SER 175 204 204 SER SER A . n A 1 176 PRO 176 205 205 PRO PRO A . n A 1 177 LEU 177 206 206 LEU LEU A . n A 1 178 VAL 178 207 207 VAL VAL A . n A 1 179 CYS 179 208 208 CYS CYS A . n A 1 180 ASN 180 209 209 ASN ASN A . n A 1 181 GLY 181 214 214 GLY GLY A . n A 1 182 LEU 182 215 215 LEU LEU A . n A 1 183 ILE 183 216 216 ILE ILE A . n A 1 184 HIS 184 217 217 HIS HIS A . n A 1 185 GLY 185 218 218 GLY GLY A . n A 1 186 ILE 186 219 219 ILE ILE A . n A 1 187 ALA 187 220 220 ALA ALA A . n A 1 188 SER 188 221 221 SER SER A . n A 1 189 PHE 189 222 222 PHE PHE A . n A 1 190 VAL 190 223 223 VAL VAL A . n A 1 191 ARG 191 224 224 ARG ARG A . n A 1 192 GLY 192 225 225 GLY GLY A . n A 1 193 GLY 193 226 226 GLY GLY A . n A 1 194 CYS 194 227 227 CYS CYS A . n A 1 195 ALA 195 228 228 ALA ALA A . n A 1 196 SER 196 230 230 SER SER A . n A 1 197 GLY 197 231 231 GLY GLY A . n A 1 198 LEU 198 232 232 LEU LEU A . n A 1 199 TYR 199 233 233 TYR TYR A . n A 1 200 PRO 200 234 234 PRO PRO A . n A 1 201 ASP 201 235 235 ASP ASP A . n A 1 202 ALA 202 236 236 ALA ALA A . n A 1 203 PHE 203 237 237 PHE PHE A . n A 1 204 ALA 204 238 238 ALA ALA A . n A 1 205 PRO 205 239 239 PRO PRO A . n A 1 206 VAL 206 240 240 VAL VAL A . n A 1 207 ALA 207 241 241 ALA ALA A . n A 1 208 GLN 208 242 242 GLN GLN A . n A 1 209 PHE 209 243 243 PHE PHE A . n A 1 210 VAL 210 244 244 VAL VAL A . n A 1 211 ASN 211 245 245 ASN ASN A . n A 1 212 TRP 212 246 246 TRP TRP A . n A 1 213 ILE 213 247 247 ILE ILE A . n A 1 214 ASP 214 248 248 ASP ASP A . n A 1 215 SER 215 249 249 SER SER A . n A 1 216 ILE 216 250 250 ILE ILE A . n A 1 217 ILE 217 251 251 ILE ILE A . n A 1 218 GLN 218 252 252 GLN GLN A . n B 1 1 ILE 1 16 16 ILE ILE B . n B 1 2 VAL 2 17 17 VAL VAL B . n B 1 3 GLY 3 18 18 GLY GLY B . n B 1 4 GLY 4 19 19 GLY GLY B . n B 1 5 ARG 5 20 20 ARG ARG B . n B 1 6 ARG 6 21 21 ARG ARG B . n B 1 7 ALA 7 22 22 ALA ALA B . n B 1 8 ARG 8 23 23 ARG ARG B . n B 1 9 PRO 9 24 24 PRO PRO B . n B 1 10 HIS 10 25 25 HIS HIS B . n B 1 11 ALA 11 26 26 ALA ALA B . n B 1 12 TRP 12 27 27 TRP TRP B . n B 1 13 PRO 13 28 28 PRO PRO B . n B 1 14 PHE 14 29 29 PHE PHE B . n B 1 15 MET 15 30 30 MET MET B . n B 1 16 VAL 16 31 31 VAL VAL B . n B 1 17 SER 17 32 32 SER SER B . n B 1 18 LEU 18 33 33 LEU LEU B . n B 1 19 GLN 19 34 34 GLN GLN B . n B 1 20 LEU 20 35 35 LEU LEU B . n B 1 21 ARG 21 36 36 ARG ARG B . n B 1 22 GLY 22 38 38 GLY GLY B . n B 1 23 GLY 23 39 39 GLY GLY B . n B 1 24 HIS 24 40 40 HIS HIS B . n B 1 25 PHE 25 41 41 PHE PHE B . n B 1 26 CYS 26 42 42 CYS CYS B . n B 1 27 GLY 27 43 43 GLY GLY B . n B 1 28 ALA 28 44 44 ALA ALA B . n B 1 29 THR 29 45 45 THR THR B . n B 1 30 LEU 30 46 46 LEU LEU B . n B 1 31 ILE 31 47 47 ILE ILE B . n B 1 32 ALA 32 48 48 ALA ALA B . n B 1 33 PRO 33 49 49 PRO PRO B . n B 1 34 ASN 34 50 50 ASN ASN B . n B 1 35 PHE 35 51 51 PHE PHE B . n B 1 36 VAL 36 52 52 VAL VAL B . n B 1 37 MET 37 53 53 MET MET B . n B 1 38 SER 38 54 54 SER SER B . n B 1 39 ALA 39 55 55 ALA ALA B . n B 1 40 ALA 40 56 56 ALA ALA B . n B 1 41 HIS 41 57 57 HIS HIS B . n B 1 42 CYS 42 58 58 CYS CYS B . n B 1 43 VAL 43 59 59 VAL VAL B . n B 1 44 ALA 44 60 60 ALA ALA B . n B 1 45 ASN 45 61 61 ASN ASN B . n B 1 46 VAL 46 62 62 VAL VAL B . n B 1 47 ASN 47 63 63 ASN ASN B . n B 1 48 VAL 48 64 64 VAL VAL B . n B 1 49 ARG 49 65 65 ARG ARG B . n B 1 50 ALA 50 66 66 ALA ALA B . n B 1 51 VAL 51 68 68 VAL VAL B . n B 1 52 ARG 52 69 69 ARG ARG B . n B 1 53 VAL 53 70 70 VAL VAL B . n B 1 54 VAL 54 71 71 VAL VAL B . n B 1 55 LEU 55 72 72 LEU LEU B . n B 1 56 GLY 56 73 73 GLY GLY B . n B 1 57 ALA 57 74 74 ALA ALA B . n B 1 58 HIS 58 75 75 HIS HIS B . n B 1 59 ASN 59 76 76 ASN ASN B . n B 1 60 LEU 60 77 77 LEU LEU B . n B 1 61 SER 61 78 78 SER SER B . n B 1 62 ARG 62 79 79 ARG ARG B . n B 1 63 ARG 63 80 80 ARG ARG B . n B 1 64 GLU 64 81 81 GLU GLU B . n B 1 65 PRO 65 82 82 PRO PRO B . n B 1 66 THR 66 83 83 THR THR B . n B 1 67 ARG 67 84 84 ARG ARG B . n B 1 68 GLN 68 85 85 GLN GLN B . n B 1 69 VAL 69 86 86 VAL VAL B . n B 1 70 PHE 70 87 87 PHE PHE B . n B 1 71 ALA 71 88 88 ALA ALA B . n B 1 72 VAL 72 89 89 VAL VAL B . n B 1 73 GLN 73 90 90 GLN GLN B . n B 1 74 ARG 74 91 91 ARG ARG B . n B 1 75 ILE 75 92 92 ILE ILE B . n B 1 76 PHE 76 93 93 PHE PHE B . n B 1 77 GLU 77 94 94 GLU GLU B . n B 1 78 ASN 78 96 96 ASN ASN B . n B 1 79 GLY 79 97 97 GLY GLY B . n B 1 80 TYR 80 98 98 TYR TYR B . n B 1 81 ASP 81 99 99 ASP ASP B . n B 1 82 PRO 82 100 100 PRO PRO B . n B 1 83 VAL 83 101 101 VAL VAL B . n B 1 84 ASN 84 102 102 ASN ASN B . n B 1 85 LEU 85 103 103 LEU LEU B . n B 1 86 LEU 86 104 104 LEU LEU B . n B 1 87 ASN 87 105 105 ASN ASN B . n B 1 88 ASP 88 106 106 ASP ASP B . n B 1 89 ILE 89 107 107 ILE ILE B . n B 1 90 VAL 90 108 108 VAL VAL B . n B 1 91 ILE 91 109 109 ILE ILE B . n B 1 92 LEU 92 110 110 LEU LEU B . n B 1 93 GLN 93 111 111 GLN GLN B . n B 1 94 LEU 94 112 112 LEU LEU B . n B 1 95 ASN 95 113 113 ASN ASN B . n B 1 96 GLY 96 114 114 GLY GLY B . n B 1 97 SER 97 115 115 SER SER B . n B 1 98 ALA 98 116 116 ALA ALA B . n B 1 99 THR 99 117 117 THR THR B . n B 1 100 ILE 100 118 118 ILE ILE B . n B 1 101 ASN 101 119 119 ASN ASN B . n B 1 102 ALA 102 120 120 ALA ALA B . n B 1 103 ASN 103 121 121 ASN ASN B . n B 1 104 VAL 104 122 122 VAL VAL B . n B 1 105 GLN 105 123 123 GLN GLN B . n B 1 106 VAL 106 124 124 VAL VAL B . n B 1 107 ALA 107 125 125 ALA ALA B . n B 1 108 GLN 108 126 126 GLN GLN B . n B 1 109 LEU 109 127 127 LEU LEU B . n B 1 110 PRO 110 128 128 PRO PRO B . n B 1 111 ALA 111 129 129 ALA ALA B . n B 1 112 GLN 112 130 130 GLN GLN B . n B 1 113 GLY 113 131 131 GLY GLY B . n B 1 114 ARG 114 132 132 ARG ARG B . n B 1 115 ARG 115 133 133 ARG ARG B . n B 1 116 LEU 116 134 134 LEU LEU B . n B 1 117 GLY 117 135 135 GLY GLY B . n B 1 118 ASN 118 136 136 ASN ASN B . n B 1 119 GLY 119 137 137 GLY GLY B . n B 1 120 VAL 120 138 138 VAL VAL B . n B 1 121 GLN 121 139 139 GLN GLN B . n B 1 122 CYS 122 140 140 CYS CYS B . n B 1 123 LEU 123 141 141 LEU LEU B . n B 1 124 ALA 124 142 142 ALA ALA B . n B 1 125 MET 125 143 143 MET MET B . n B 1 126 GLY 126 144 144 GLY GLY B . n B 1 127 TRP 127 145 145 TRP TRP B . n B 1 128 GLY 128 146 146 GLY GLY B . n B 1 129 LEU 129 147 147 LEU LEU B . n B 1 130 LEU 130 148 148 LEU LEU B . n B 1 131 GLY 131 149 149 GLY GLY B . n B 1 132 ARG 132 151 151 ARG ARG B . n B 1 133 ASN 133 152 152 ASN ASN B . n B 1 134 ARG 134 153 153 ARG ARG B . n B 1 135 GLY 135 154 154 GLY GLY B . n B 1 136 ILE 136 155 155 ILE ILE B . n B 1 137 ALA 137 156 156 ALA ALA B . n B 1 138 SER 138 157 157 SER SER B . n B 1 139 VAL 139 158 158 VAL VAL B . n B 1 140 LEU 140 159 159 LEU LEU B . n B 1 141 GLN 141 160 160 GLN GLN B . n B 1 142 GLU 142 161 161 GLU GLU B . n B 1 143 LEU 143 162 162 LEU LEU B . n B 1 144 ASN 144 163 163 ASN ASN B . n B 1 145 VAL 145 164 164 VAL VAL B . n B 1 146 THR 146 165 165 THR THR B . n B 1 147 VAL 147 166 166 VAL VAL B . n B 1 148 VAL 148 167 167 VAL VAL B . n B 1 149 THR 149 168 168 THR THR B . n B 1 150 SER 150 169 169 SER SER B . n B 1 151 LEU 151 170 170 LEU LEU B . n B 1 152 CYS 152 172 172 CYS CYS B . n B 1 153 ARG 153 181 181 ARG ARG B . n B 1 154 ARG 154 182 182 ARG ARG B . n B 1 155 SER 155 183 183 SER SER B . n B 1 156 ASN 156 184 184 ASN ASN B . n B 1 157 VAL 157 185 185 VAL VAL B . n B 1 158 CYS 158 186 186 CYS CYS B . n B 1 159 THR 159 187 187 THR THR B . n B 1 160 LEU 160 188 188 LEU LEU B . n B 1 161 VAL 161 189 189 VAL VAL B . n B 1 162 ARG 162 190 190 ARG ARG B . n B 1 163 GLY 163 191 191 GLY GLY B . n B 1 164 ARG 164 192 192 ARG ARG B . n B 1 165 GLN 165 194 194 GLN GLN B . n B 1 166 ALA 166 195 195 ALA ALA B . n B 1 167 GLY 167 196 196 GLY GLY B . n B 1 168 VAL 168 197 197 VAL VAL B . n B 1 169 CYS 169 198 198 CYS CYS B . n B 1 170 PHE 170 199 199 PHE PHE B . n B 1 171 GLY 171 200 200 GLY GLY B . n B 1 172 ASP 172 201 201 ASP ASP B . n B 1 173 SER 173 202 202 SER SER B . n B 1 174 GLY 174 203 203 GLY GLY B . n B 1 175 SER 175 204 204 SER SER B . n B 1 176 PRO 176 205 205 PRO PRO B . n B 1 177 LEU 177 206 206 LEU LEU B . n B 1 178 VAL 178 207 207 VAL VAL B . n B 1 179 CYS 179 208 208 CYS CYS B . n B 1 180 ASN 180 209 209 ASN ASN B . n B 1 181 GLY 181 214 214 GLY GLY B . n B 1 182 LEU 182 215 215 LEU LEU B . n B 1 183 ILE 183 216 216 ILE ILE B . n B 1 184 HIS 184 217 217 HIS HIS B . n B 1 185 GLY 185 218 218 GLY GLY B . n B 1 186 ILE 186 219 219 ILE ILE B . n B 1 187 ALA 187 220 220 ALA ALA B . n B 1 188 SER 188 221 221 SER SER B . n B 1 189 PHE 189 222 222 PHE PHE B . n B 1 190 VAL 190 223 223 VAL VAL B . n B 1 191 ARG 191 224 224 ARG ARG B . n B 1 192 GLY 192 225 225 GLY GLY B . n B 1 193 GLY 193 226 226 GLY GLY B . n B 1 194 CYS 194 227 227 CYS CYS B . n B 1 195 ALA 195 228 228 ALA ALA B . n B 1 196 SER 196 230 230 SER SER B . n B 1 197 GLY 197 231 231 GLY GLY B . n B 1 198 LEU 198 232 232 LEU LEU B . n B 1 199 TYR 199 233 233 TYR TYR B . n B 1 200 PRO 200 234 234 PRO PRO B . n B 1 201 ASP 201 235 235 ASP ASP B . n B 1 202 ALA 202 236 236 ALA ALA B . n B 1 203 PHE 203 237 237 PHE PHE B . n B 1 204 ALA 204 238 238 ALA ALA B . n B 1 205 PRO 205 239 239 PRO PRO B . n B 1 206 VAL 206 240 240 VAL VAL B . n B 1 207 ALA 207 241 241 ALA ALA B . n B 1 208 GLN 208 242 242 GLN GLN B . n B 1 209 PHE 209 243 243 PHE PHE B . n B 1 210 VAL 210 244 244 VAL VAL B . n B 1 211 ASN 211 245 245 ASN ASN B . n B 1 212 TRP 212 246 246 TRP TRP B . n B 1 213 ILE 213 247 247 ILE ILE B . n B 1 214 ASP 214 248 248 ASP ASP B . n B 1 215 SER 215 249 249 SER SER B . n B 1 216 ILE 216 250 250 ILE ILE B . n B 1 217 ILE 217 251 251 ILE ILE B . n B 1 218 GLN 218 252 252 GLN GLN B . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 2 NAG 1 401 401 NAG NAG A . D 3 FUC 2 402 402 FUC FUC A . E 2 NAG 3 403 403 NAG NAG A . F 2 NAG 1 411 411 NAG NAG A . G 3 FUC 2 412 412 FUC FUC A . H 4 JJV 1 1001 1001 JJV JJV A . I 5 MES 1 1002 1002 MES MES A . J 6 XPE 1 1003 1003 XPE XPE A . K 2 NAG 1 401 401 NAG NAG B . L 3 FUC 2 402 402 FUC FUC B . M 2 NAG 3 403 403 NAG NAG B . N 2 NAG 1 411 411 NAG NAG B . O 3 FUC 2 412 412 FUC FUC B . P 4 JJV 1 1001 1001 JJV JJV B . Q 5 MES 1 1002 1002 MES MES B . R 7 HOH 1 2001 2001 HOH HOH A . R 7 HOH 2 2002 2002 HOH HOH A . R 7 HOH 3 2003 2003 HOH HOH A . R 7 HOH 4 2004 2004 HOH HOH A . R 7 HOH 5 2005 2005 HOH HOH A . R 7 HOH 6 2006 2006 HOH HOH A . R 7 HOH 7 2007 2007 HOH HOH A . R 7 HOH 8 2008 2008 HOH HOH A . R 7 HOH 9 2009 2009 HOH HOH A . R 7 HOH 10 2010 2010 HOH HOH A . R 7 HOH 11 2011 2011 HOH HOH A . R 7 HOH 12 2012 2012 HOH HOH A . R 7 HOH 13 2013 2013 HOH HOH A . R 7 HOH 14 2014 2014 HOH HOH A . R 7 HOH 15 2015 2015 HOH HOH A . R 7 HOH 16 2016 2016 HOH HOH A . R 7 HOH 17 2017 2017 HOH HOH A . R 7 HOH 18 2018 2018 HOH HOH A . R 7 HOH 19 2019 2019 HOH HOH A . R 7 HOH 20 2020 2020 HOH HOH A . R 7 HOH 21 2021 2021 HOH HOH A . R 7 HOH 22 2022 2022 HOH HOH A . R 7 HOH 23 2023 2023 HOH HOH A . R 7 HOH 24 2024 2024 HOH HOH A . R 7 HOH 25 2025 2025 HOH HOH A . R 7 HOH 26 2026 2026 HOH HOH A . R 7 HOH 27 2027 2027 HOH HOH A . R 7 HOH 28 2028 2028 HOH HOH A . R 7 HOH 29 2029 2029 HOH HOH A . R 7 HOH 30 2030 2030 HOH HOH A . R 7 HOH 31 2031 2031 HOH HOH A . R 7 HOH 32 2032 2032 HOH HOH A . R 7 HOH 33 2033 2033 HOH HOH A . R 7 HOH 34 2034 2034 HOH HOH A . R 7 HOH 35 2035 2035 HOH HOH A . R 7 HOH 36 2036 2036 HOH HOH A . R 7 HOH 37 2037 2037 HOH HOH A . R 7 HOH 38 2038 2038 HOH HOH A . R 7 HOH 39 2039 2039 HOH HOH A . R 7 HOH 40 2040 2040 HOH HOH A . R 7 HOH 41 2041 2041 HOH HOH A . R 7 HOH 42 2042 2042 HOH HOH A . R 7 HOH 43 2043 2043 HOH HOH A . R 7 HOH 44 2044 2044 HOH HOH A . R 7 HOH 45 2045 2045 HOH HOH A . R 7 HOH 46 2046 2046 HOH HOH A . R 7 HOH 47 2047 2047 HOH HOH A . R 7 HOH 48 2048 2048 HOH HOH A . R 7 HOH 49 2049 2049 HOH HOH A . R 7 HOH 50 2050 2050 HOH HOH A . R 7 HOH 51 2051 2051 HOH HOH A . R 7 HOH 52 2052 2052 HOH HOH A . R 7 HOH 53 2053 2053 HOH HOH A . R 7 HOH 54 2054 2054 HOH HOH A . R 7 HOH 55 2055 2055 HOH HOH A . R 7 HOH 56 2056 2056 HOH HOH A . R 7 HOH 57 2057 2057 HOH HOH A . R 7 HOH 58 2058 2058 HOH HOH A . R 7 HOH 59 2059 2059 HOH HOH A . R 7 HOH 60 2060 2060 HOH HOH A . R 7 HOH 61 2061 2061 HOH HOH A . R 7 HOH 62 2062 2062 HOH HOH A . R 7 HOH 63 2063 2063 HOH HOH A . R 7 HOH 64 2064 2064 HOH HOH A . R 7 HOH 65 2065 2065 HOH HOH A . R 7 HOH 66 2066 2066 HOH HOH A . R 7 HOH 67 2067 2067 HOH HOH A . R 7 HOH 68 2068 2068 HOH HOH A . R 7 HOH 69 2069 2069 HOH HOH A . R 7 HOH 70 2070 2070 HOH HOH A . R 7 HOH 71 2071 2071 HOH HOH A . R 7 HOH 72 2072 2072 HOH HOH A . R 7 HOH 73 2073 2073 HOH HOH A . R 7 HOH 74 2074 2074 HOH HOH A . R 7 HOH 75 2075 2075 HOH HOH A . R 7 HOH 76 2076 2076 HOH HOH A . R 7 HOH 77 2077 2077 HOH HOH A . R 7 HOH 78 2078 2078 HOH HOH A . R 7 HOH 79 2079 2079 HOH HOH A . R 7 HOH 80 2080 2080 HOH HOH A . R 7 HOH 81 2081 2081 HOH HOH A . R 7 HOH 82 2082 2082 HOH HOH A . R 7 HOH 83 2083 2083 HOH HOH A . R 7 HOH 84 2084 2084 HOH HOH A . R 7 HOH 85 2085 2085 HOH HOH A . R 7 HOH 86 2086 2086 HOH HOH A . R 7 HOH 87 2087 2087 HOH HOH A . R 7 HOH 88 2088 2088 HOH HOH A . R 7 HOH 89 2089 2089 HOH HOH A . R 7 HOH 90 2090 2090 HOH HOH A . R 7 HOH 91 2091 2091 HOH HOH A . R 7 HOH 92 2092 2092 HOH HOH A . R 7 HOH 93 2093 2093 HOH HOH A . R 7 HOH 94 2094 2094 HOH HOH A . R 7 HOH 95 2095 2095 HOH HOH A . R 7 HOH 96 2096 2096 HOH HOH A . R 7 HOH 97 2097 2097 HOH HOH A . R 7 HOH 98 2098 2098 HOH HOH A . R 7 HOH 99 2099 2099 HOH HOH A . R 7 HOH 100 2100 2100 HOH HOH A . R 7 HOH 101 2101 2101 HOH HOH A . R 7 HOH 102 2102 2102 HOH HOH A . R 7 HOH 103 2103 2103 HOH HOH A . R 7 HOH 104 2104 2104 HOH HOH A . R 7 HOH 105 2105 2105 HOH HOH A . R 7 HOH 106 2106 2106 HOH HOH A . R 7 HOH 107 2107 2107 HOH HOH A . R 7 HOH 108 2108 2108 HOH HOH A . R 7 HOH 109 2109 2109 HOH HOH A . R 7 HOH 110 2110 2110 HOH HOH A . R 7 HOH 111 2111 2111 HOH HOH A . R 7 HOH 112 2112 2112 HOH HOH A . R 7 HOH 113 2113 2113 HOH HOH A . R 7 HOH 114 2114 2114 HOH HOH A . R 7 HOH 115 2115 2115 HOH HOH A . R 7 HOH 116 2116 2116 HOH HOH A . R 7 HOH 117 2117 2117 HOH HOH A . R 7 HOH 118 2118 2118 HOH HOH A . R 7 HOH 119 2119 2119 HOH HOH A . R 7 HOH 120 2120 2120 HOH HOH A . R 7 HOH 121 2121 2121 HOH HOH A . R 7 HOH 122 2122 2122 HOH HOH A . R 7 HOH 123 2123 2123 HOH HOH A . R 7 HOH 124 2124 2124 HOH HOH A . R 7 HOH 125 2125 2125 HOH HOH A . R 7 HOH 126 2126 2126 HOH HOH A . R 7 HOH 127 2127 2127 HOH HOH A . R 7 HOH 128 2128 2128 HOH HOH A . R 7 HOH 129 2129 2129 HOH HOH A . R 7 HOH 130 2130 2130 HOH HOH A . R 7 HOH 131 2131 2131 HOH HOH A . R 7 HOH 132 2132 2132 HOH HOH A . R 7 HOH 133 2133 2133 HOH HOH A . R 7 HOH 134 2134 2134 HOH HOH A . R 7 HOH 135 2135 2135 HOH HOH A . R 7 HOH 136 2136 2136 HOH HOH A . R 7 HOH 137 2137 2137 HOH HOH A . R 7 HOH 138 2138 2138 HOH HOH A . R 7 HOH 139 2139 2139 HOH HOH A . R 7 HOH 140 2140 2140 HOH HOH A . R 7 HOH 141 2141 2141 HOH HOH A . R 7 HOH 142 2142 2142 HOH HOH A . R 7 HOH 143 2143 2143 HOH HOH A . R 7 HOH 144 2144 2144 HOH HOH A . R 7 HOH 145 2145 2145 HOH HOH A . R 7 HOH 146 2146 2146 HOH HOH A . R 7 HOH 147 2147 2147 HOH HOH A . R 7 HOH 148 2148 2148 HOH HOH A . R 7 HOH 149 2149 2149 HOH HOH A . R 7 HOH 150 2150 2150 HOH HOH A . R 7 HOH 151 2151 2151 HOH HOH A . R 7 HOH 152 2152 2152 HOH HOH A . R 7 HOH 153 2153 2153 HOH HOH A . R 7 HOH 154 2154 2154 HOH HOH A . R 7 HOH 155 2155 2155 HOH HOH A . R 7 HOH 156 2156 2156 HOH HOH A . R 7 HOH 157 2157 2157 HOH HOH A . R 7 HOH 158 2158 2158 HOH HOH A . R 7 HOH 159 2159 2159 HOH HOH A . R 7 HOH 160 2160 2160 HOH HOH A . R 7 HOH 161 2161 2161 HOH HOH A . R 7 HOH 162 2162 2162 HOH HOH A . R 7 HOH 163 2163 2163 HOH HOH A . R 7 HOH 164 2164 2164 HOH HOH A . R 7 HOH 165 2165 2165 HOH HOH A . R 7 HOH 166 2166 2166 HOH HOH A . R 7 HOH 167 2167 2167 HOH HOH A . R 7 HOH 168 2168 2168 HOH HOH A . R 7 HOH 169 2169 2169 HOH HOH A . R 7 HOH 170 3001 3001 HOH HOH A . R 7 HOH 171 3002 3002 HOH HOH A . R 7 HOH 172 3004 3004 HOH HOH A . R 7 HOH 173 3005 3005 HOH HOH A . S 7 HOH 1 2001 2001 HOH HOH B . S 7 HOH 2 2002 2002 HOH HOH B . S 7 HOH 3 2003 2003 HOH HOH B . S 7 HOH 4 2004 2004 HOH HOH B . S 7 HOH 5 2005 2005 HOH HOH B . S 7 HOH 6 2006 2006 HOH HOH B . S 7 HOH 7 2007 2007 HOH HOH B . S 7 HOH 8 2008 2008 HOH HOH B . S 7 HOH 9 2009 2009 HOH HOH B . S 7 HOH 10 2010 2010 HOH HOH B . S 7 HOH 11 2011 2011 HOH HOH B . S 7 HOH 12 2012 2012 HOH HOH B . S 7 HOH 13 2013 2013 HOH HOH B . S 7 HOH 14 2014 2014 HOH HOH B . S 7 HOH 15 2015 2015 HOH HOH B . S 7 HOH 16 2016 2016 HOH HOH B . S 7 HOH 17 2017 2017 HOH HOH B . S 7 HOH 18 2018 2018 HOH HOH B . S 7 HOH 19 2019 2019 HOH HOH B . S 7 HOH 20 2020 2020 HOH HOH B . S 7 HOH 21 2021 2021 HOH HOH B . S 7 HOH 22 2022 2022 HOH HOH B . S 7 HOH 23 2023 2023 HOH HOH B . S 7 HOH 24 2024 2024 HOH HOH B . S 7 HOH 25 2025 2025 HOH HOH B . S 7 HOH 26 2026 2026 HOH HOH B . S 7 HOH 27 2027 2027 HOH HOH B . S 7 HOH 28 2028 2028 HOH HOH B . S 7 HOH 29 2029 2029 HOH HOH B . S 7 HOH 30 2030 2030 HOH HOH B . S 7 HOH 31 2031 2031 HOH HOH B . S 7 HOH 32 2032 2032 HOH HOH B . S 7 HOH 33 2033 2033 HOH HOH B . S 7 HOH 34 2034 2034 HOH HOH B . S 7 HOH 35 2035 2035 HOH HOH B . S 7 HOH 36 2036 2036 HOH HOH B . S 7 HOH 37 2037 2037 HOH HOH B . S 7 HOH 38 2038 2038 HOH HOH B . S 7 HOH 39 2039 2039 HOH HOH B . S 7 HOH 40 2040 2040 HOH HOH B . S 7 HOH 41 2041 2041 HOH HOH B . S 7 HOH 42 2042 2042 HOH HOH B . S 7 HOH 43 2043 2043 HOH HOH B . S 7 HOH 44 2044 2044 HOH HOH B . S 7 HOH 45 2045 2045 HOH HOH B . S 7 HOH 46 2046 2046 HOH HOH B . S 7 HOH 47 2047 2047 HOH HOH B . S 7 HOH 48 2048 2048 HOH HOH B . S 7 HOH 49 2049 2049 HOH HOH B . S 7 HOH 50 2050 2050 HOH HOH B . S 7 HOH 51 2051 2051 HOH HOH B . S 7 HOH 52 2052 2052 HOH HOH B . S 7 HOH 53 2053 2053 HOH HOH B . S 7 HOH 54 2054 2054 HOH HOH B . S 7 HOH 55 2055 2055 HOH HOH B . S 7 HOH 56 2056 2056 HOH HOH B . S 7 HOH 57 2057 2057 HOH HOH B . S 7 HOH 58 2058 2058 HOH HOH B . S 7 HOH 59 2059 2059 HOH HOH B . S 7 HOH 60 2060 2060 HOH HOH B . S 7 HOH 61 2061 2061 HOH HOH B . S 7 HOH 62 2062 2062 HOH HOH B . S 7 HOH 63 2063 2063 HOH HOH B . S 7 HOH 64 2064 2064 HOH HOH B . S 7 HOH 65 2065 2065 HOH HOH B . S 7 HOH 66 2066 2066 HOH HOH B . S 7 HOH 67 2067 2067 HOH HOH B . S 7 HOH 68 2068 2068 HOH HOH B . S 7 HOH 69 2069 2069 HOH HOH B . S 7 HOH 70 2070 2070 HOH HOH B . S 7 HOH 71 2071 2071 HOH HOH B . S 7 HOH 72 2072 2072 HOH HOH B . S 7 HOH 73 2073 2073 HOH HOH B . S 7 HOH 74 2074 2074 HOH HOH B . S 7 HOH 75 2075 2075 HOH HOH B . S 7 HOH 76 2076 2076 HOH HOH B . S 7 HOH 77 2077 2077 HOH HOH B . S 7 HOH 78 2078 2078 HOH HOH B . S 7 HOH 79 2079 2079 HOH HOH B . S 7 HOH 80 2080 2080 HOH HOH B . S 7 HOH 81 2081 2081 HOH HOH B . S 7 HOH 82 2082 2082 HOH HOH B . S 7 HOH 83 2083 2083 HOH HOH B . S 7 HOH 84 2084 2084 HOH HOH B . S 7 HOH 85 2085 2085 HOH HOH B . S 7 HOH 86 2086 2086 HOH HOH B . S 7 HOH 87 2087 2087 HOH HOH B . S 7 HOH 88 2088 2088 HOH HOH B . S 7 HOH 89 2089 2089 HOH HOH B . S 7 HOH 90 2090 2090 HOH HOH B . S 7 HOH 91 2091 2091 HOH HOH B . S 7 HOH 92 2092 2092 HOH HOH B . S 7 HOH 93 2093 2093 HOH HOH B . S 7 HOH 94 2094 2094 HOH HOH B . S 7 HOH 95 2095 2095 HOH HOH B . S 7 HOH 96 2096 2096 HOH HOH B . S 7 HOH 97 2097 2097 HOH HOH B . S 7 HOH 98 2098 2098 HOH HOH B . S 7 HOH 99 2099 2099 HOH HOH B . S 7 HOH 100 2100 2100 HOH HOH B . S 7 HOH 101 2101 2101 HOH HOH B . S 7 HOH 102 2102 2102 HOH HOH B . S 7 HOH 103 2103 2103 HOH HOH B . S 7 HOH 104 2104 2104 HOH HOH B . S 7 HOH 105 2105 2105 HOH HOH B . S 7 HOH 106 2106 2106 HOH HOH B . S 7 HOH 107 2107 2107 HOH HOH B . S 7 HOH 108 2108 2108 HOH HOH B . S 7 HOH 109 2109 2109 HOH HOH B . S 7 HOH 110 2110 2110 HOH HOH B . S 7 HOH 111 2111 2111 HOH HOH B . S 7 HOH 112 2112 2112 HOH HOH B . S 7 HOH 113 2113 2113 HOH HOH B . S 7 HOH 114 2114 2114 HOH HOH B . S 7 HOH 115 2115 2115 HOH HOH B . S 7 HOH 116 2116 2116 HOH HOH B . S 7 HOH 117 2117 2117 HOH HOH B . S 7 HOH 118 2118 2118 HOH HOH B . S 7 HOH 119 2119 2119 HOH HOH B . S 7 HOH 120 2120 2120 HOH HOH B . S 7 HOH 121 2121 2121 HOH HOH B . S 7 HOH 122 2122 2122 HOH HOH B . S 7 HOH 123 2123 2123 HOH HOH B . S 7 HOH 124 2124 2124 HOH HOH B . S 7 HOH 125 2125 2125 HOH HOH B . S 7 HOH 126 2126 2126 HOH HOH B . S 7 HOH 127 2127 2127 HOH HOH B . S 7 HOH 128 2128 2128 HOH HOH B . S 7 HOH 129 2129 2129 HOH HOH B . S 7 HOH 130 2130 2130 HOH HOH B . S 7 HOH 131 2131 2131 HOH HOH B . S 7 HOH 132 2132 2132 HOH HOH B . S 7 HOH 133 2133 2133 HOH HOH B . S 7 HOH 134 2134 2134 HOH HOH B . S 7 HOH 135 2135 2135 HOH HOH B . S 7 HOH 136 2136 2136 HOH HOH B . S 7 HOH 137 2137 2137 HOH HOH B . S 7 HOH 138 2138 2138 HOH HOH B . S 7 HOH 139 2139 2139 HOH HOH B . S 7 HOH 140 2140 2140 HOH HOH B . S 7 HOH 141 2141 2141 HOH HOH B . S 7 HOH 142 2142 2142 HOH HOH B . S 7 HOH 143 2143 2143 HOH HOH B . S 7 HOH 144 2144 2144 HOH HOH B . S 7 HOH 145 2145 2145 HOH HOH B . S 7 HOH 146 2146 2146 HOH HOH B . S 7 HOH 147 2147 2147 HOH HOH B . S 7 HOH 148 2148 2148 HOH HOH B . S 7 HOH 149 2149 2149 HOH HOH B . S 7 HOH 150 2150 2150 HOH HOH B . S 7 HOH 151 2151 2151 HOH HOH B . S 7 HOH 152 2152 2152 HOH HOH B . S 7 HOH 153 2153 2153 HOH HOH B . S 7 HOH 154 2154 2154 HOH HOH B . S 7 HOH 155 2155 2155 HOH HOH B . S 7 HOH 156 2156 2156 HOH HOH B . S 7 HOH 157 2157 2157 HOH HOH B . S 7 HOH 158 2158 2158 HOH HOH B . S 7 HOH 159 2159 2159 HOH HOH B . S 7 HOH 160 3003 3003 HOH HOH B . S 7 HOH 161 3006 3006 HOH HOH B . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 95 A ASN 113 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 144 A ASN 163 ? ASN 'GLYCOSYLATION SITE' 3 B ASN 95 B ASN 113 ? ASN 'GLYCOSYLATION SITE' 4 B ASN 144 B ASN 163 ? ASN 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA monomeric 1 2 author_and_software_defined_assembly PISA monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D,E,F,G,H,I,J,R 2 1 B,K,L,M,N,O,P,Q,S # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2015-08-19 2 'Structure model' 1 1 2017-03-22 3 'Structure model' 1 2 2017-07-05 # _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' 'Data collection' # _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 diffrn_source # _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 '_diffrn_source.type' # _pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls.id 1 _pdbx_refine_tls.details ? _pdbx_refine_tls.method refined _pdbx_refine_tls.origin_x 19.6488 _pdbx_refine_tls.origin_y 7.3342 _pdbx_refine_tls.origin_z 15.6517 _pdbx_refine_tls.T[1][1] 0.0610 _pdbx_refine_tls.T[2][2] 0.0935 _pdbx_refine_tls.T[3][3] 0.0063 _pdbx_refine_tls.T[1][2] -0.0275 _pdbx_refine_tls.T[1][3] -0.0119 _pdbx_refine_tls.T[2][3] -0.0071 _pdbx_refine_tls.L[1][1] 0.3452 _pdbx_refine_tls.L[2][2] 0.5597 _pdbx_refine_tls.L[3][3] 1.1665 _pdbx_refine_tls.L[1][2] -0.1675 _pdbx_refine_tls.L[1][3] -0.0798 _pdbx_refine_tls.L[2][3] -0.0492 _pdbx_refine_tls.S[1][1] 0.0664 _pdbx_refine_tls.S[1][2] 0.0634 _pdbx_refine_tls.S[1][3] -0.0229 _pdbx_refine_tls.S[2][1] 0.0731 _pdbx_refine_tls.S[2][2] -0.0136 _pdbx_refine_tls.S[2][3] -0.0119 _pdbx_refine_tls.S[3][1] 0.0176 _pdbx_refine_tls.S[3][2] 0.0097 _pdbx_refine_tls.S[3][3] -0.0527 # _pdbx_refine_tls_group.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls_group.id 1 _pdbx_refine_tls_group.refine_tls_id 1 _pdbx_refine_tls_group.beg_auth_asym_id A _pdbx_refine_tls_group.beg_auth_seq_id 16 _pdbx_refine_tls_group.beg_label_asym_id ? _pdbx_refine_tls_group.beg_label_seq_id ? _pdbx_refine_tls_group.end_auth_asym_id A _pdbx_refine_tls_group.end_auth_seq_id 1001 _pdbx_refine_tls_group.end_label_asym_id ? _pdbx_refine_tls_group.end_label_seq_id ? _pdbx_refine_tls_group.selection ? _pdbx_refine_tls_group.selection_details ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.8.0103 ? 1 SAINT 'data reduction' . ? 2 SADABS 'data scaling' . ? 3 MOLREP phasing . ? 4 # _pdbx_database_remark.id 700 _pdbx_database_remark.text ; SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 7-STRANDED BARREL THIS IS REPRESENTED BY A 8-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. THE SHEETS PRESENTED AS "AB" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 6-STRANDED BARREL THIS IS REPRESENTED BY A 7-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. THE SHEETS PRESENTED AS "BA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 7-STRANDED BARREL THIS IS REPRESENTED BY A 8-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. THE SHEETS PRESENTED AS "BB" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 6-STRANDED BARREL THIS IS REPRESENTED BY A 7-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. ; # loop_ _pdbx_validate_rmsd_bond.id _pdbx_validate_rmsd_bond.PDB_model_num _pdbx_validate_rmsd_bond.auth_atom_id_1 _pdbx_validate_rmsd_bond.auth_asym_id_1 _pdbx_validate_rmsd_bond.auth_comp_id_1 _pdbx_validate_rmsd_bond.auth_seq_id_1 _pdbx_validate_rmsd_bond.PDB_ins_code_1 _pdbx_validate_rmsd_bond.label_alt_id_1 _pdbx_validate_rmsd_bond.auth_atom_id_2 _pdbx_validate_rmsd_bond.auth_asym_id_2 _pdbx_validate_rmsd_bond.auth_comp_id_2 _pdbx_validate_rmsd_bond.auth_seq_id_2 _pdbx_validate_rmsd_bond.PDB_ins_code_2 _pdbx_validate_rmsd_bond.label_alt_id_2 _pdbx_validate_rmsd_bond.bond_value _pdbx_validate_rmsd_bond.bond_target_value _pdbx_validate_rmsd_bond.bond_deviation _pdbx_validate_rmsd_bond.bond_standard_deviation _pdbx_validate_rmsd_bond.linker_flag 1 1 CD B ARG 132 ? ? NE B ARG 132 ? ? 1.564 1.460 0.104 0.017 N 2 1 C B GLY 149 ? ? N B ARG 151 ? ? 1.485 1.336 0.149 0.023 Y 3 1 CD B ARG 151 ? ? NE B ARG 151 ? ? 1.348 1.460 -0.112 0.017 N 4 1 C B LEU 170 ? ? N B CYS 172 ? ? 1.493 1.336 0.157 0.023 Y 5 1 C B ARG 192 ? ? N B GLN 194 ? ? 1.596 1.336 0.260 0.023 Y 6 1 C B ASN 209 ? ? N B GLY 214 ? ? 1.557 1.336 0.221 0.023 Y 7 1 C B ALA 228 ? ? N B SER 230 ? ? 1.504 1.336 0.168 0.023 Y # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 NE A ARG 23 ? ? CZ A ARG 23 ? ? NH1 A ARG 23 ? ? 124.44 120.30 4.14 0.50 N 2 1 CG A MET 53 ? ? SD A MET 53 ? ? CE A MET 53 ? ? 90.51 100.20 -9.69 1.60 N 3 1 CB A ARG 132 ? ? CG A ARG 132 ? ? CD A ARG 132 ? ? 127.27 111.60 15.67 2.60 N 4 1 NE A ARG 133 ? ? CZ A ARG 133 ? ? NH1 A ARG 133 ? ? 125.25 120.30 4.95 0.50 N 5 1 CB A LEU 215 ? ? CG A LEU 215 ? ? CD1 A LEU 215 ? ? 124.65 111.00 13.65 1.70 N 6 1 NE B ARG 21 ? ? CZ B ARG 21 ? ? NH2 B ARG 21 ? ? 117.09 120.30 -3.21 0.50 N 7 1 CB B ARG 132 ? ? CG B ARG 132 ? ? CD B ARG 132 ? ? 127.39 111.60 15.79 2.60 N 8 1 NE B ARG 132 ? ? CZ B ARG 132 ? ? NH2 B ARG 132 ? ? 124.57 120.30 4.27 0.50 N 9 1 CG B ARG 151 ? ? CD B ARG 151 ? ? NE B ARG 151 ? ? 94.97 111.80 -16.83 2.10 N 10 1 CD B ARG 151 ? ? NE B ARG 151 ? ? CZ B ARG 151 ? ? 136.21 123.60 12.61 1.40 N 11 1 NE B ARG 151 ? ? CZ B ARG 151 ? ? NH1 B ARG 151 ? ? 111.34 120.30 -8.96 0.50 N 12 1 NE B ARG 151 ? ? CZ B ARG 151 ? ? NH2 B ARG 151 ? ? 125.11 120.30 4.81 0.50 N 13 1 NE B ARG 153 ? ? CZ B ARG 153 ? ? NH1 B ARG 153 ? ? 125.20 120.30 4.90 0.50 N 14 1 NE B ARG 153 ? ? CZ B ARG 153 ? ? NH2 B ARG 153 ? ? 116.69 120.30 -3.61 0.50 N 15 1 NE B ARG 181 ? ? CZ B ARG 181 ? ? NH1 B ARG 181 ? ? 124.62 120.30 4.32 0.50 N 16 1 NE B ARG 192 ? ? CZ B ARG 192 ? ? NH1 B ARG 192 ? ? 124.95 120.30 4.65 0.50 N 17 1 CB B LEU 215 ? ? CG B LEU 215 ? ? CD1 B LEU 215 ? ? 124.66 111.00 13.66 1.70 N 18 1 NE B ARG 224 ? ? CZ B ARG 224 ? ? NH1 B ARG 224 ? ? 125.16 120.30 4.86 0.50 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 HIS A 75 ? ? -133.50 -60.07 2 1 ASN A 119 ? ? -152.73 -153.51 3 1 LEU A 232 ? ? -135.61 -41.09 4 1 ASN B 61 ? ? 75.26 -0.26 5 1 HIS B 75 ? ? -136.24 -60.03 6 1 ASN B 96 ? ? -146.07 55.48 7 1 ASN B 119 ? ? -152.13 -159.69 8 1 ARG B 151 ? ? -39.15 119.14 9 1 LEU B 232 ? ? -142.98 -39.86 # loop_ _pdbx_validate_main_chain_plane.id _pdbx_validate_main_chain_plane.PDB_model_num _pdbx_validate_main_chain_plane.auth_comp_id _pdbx_validate_main_chain_plane.auth_asym_id _pdbx_validate_main_chain_plane.auth_seq_id _pdbx_validate_main_chain_plane.PDB_ins_code _pdbx_validate_main_chain_plane.label_alt_id _pdbx_validate_main_chain_plane.improper_torsion_angle 1 1 ARG B 192 ? ? 10.24 2 1 ASN B 209 ? ? 10.28 # _pdbx_validate_planes.id 1 _pdbx_validate_planes.PDB_model_num 1 _pdbx_validate_planes.auth_comp_id ARG _pdbx_validate_planes.auth_asym_id B _pdbx_validate_planes.auth_seq_id 151 _pdbx_validate_planes.PDB_ins_code ? _pdbx_validate_planes.label_alt_id ? _pdbx_validate_planes.rmsd 0.148 _pdbx_validate_planes.type 'SIDE CHAIN' # loop_ _pdbx_validate_polymer_linkage.id _pdbx_validate_polymer_linkage.PDB_model_num _pdbx_validate_polymer_linkage.auth_atom_id_1 _pdbx_validate_polymer_linkage.auth_asym_id_1 _pdbx_validate_polymer_linkage.auth_comp_id_1 _pdbx_validate_polymer_linkage.auth_seq_id_1 _pdbx_validate_polymer_linkage.PDB_ins_code_1 _pdbx_validate_polymer_linkage.label_alt_id_1 _pdbx_validate_polymer_linkage.auth_atom_id_2 _pdbx_validate_polymer_linkage.auth_asym_id_2 _pdbx_validate_polymer_linkage.auth_comp_id_2 _pdbx_validate_polymer_linkage.auth_seq_id_2 _pdbx_validate_polymer_linkage.PDB_ins_code_2 _pdbx_validate_polymer_linkage.label_alt_id_2 _pdbx_validate_polymer_linkage.dist 1 1 C B ARG 36 ? ? N B GLY 38 ? ? 2.21 2 1 C B ALA 66 ? ? N B VAL 68 ? ? 1.76 # loop_ _pdbx_distant_solvent_atoms.id _pdbx_distant_solvent_atoms.PDB_model_num _pdbx_distant_solvent_atoms.auth_atom_id _pdbx_distant_solvent_atoms.label_alt_id _pdbx_distant_solvent_atoms.auth_asym_id _pdbx_distant_solvent_atoms.auth_comp_id _pdbx_distant_solvent_atoms.auth_seq_id _pdbx_distant_solvent_atoms.PDB_ins_code _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance _pdbx_distant_solvent_atoms.neighbor_ligand_distance 1 1 O ? A HOH 2052 ? 6.78 . 2 1 O ? A HOH 3005 ? 8.10 . # _pdbx_unobs_or_zero_occ_atoms.id 1 _pdbx_unobs_or_zero_occ_atoms.PDB_model_num 1 _pdbx_unobs_or_zero_occ_atoms.polymer_flag N _pdbx_unobs_or_zero_occ_atoms.occupancy_flag 1 _pdbx_unobs_or_zero_occ_atoms.auth_asym_id A _pdbx_unobs_or_zero_occ_atoms.auth_comp_id XPE _pdbx_unobs_or_zero_occ_atoms.auth_seq_id 1003 _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code ? _pdbx_unobs_or_zero_occ_atoms.auth_atom_id O7 _pdbx_unobs_or_zero_occ_atoms.label_alt_id ? _pdbx_unobs_or_zero_occ_atoms.label_asym_id J _pdbx_unobs_or_zero_occ_atoms.label_comp_id XPE _pdbx_unobs_or_zero_occ_atoms.label_seq_id 1 _pdbx_unobs_or_zero_occ_atoms.label_atom_id O7 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 ALPHA-L-FUCOSE FUC 4 ;(6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile ; JJV 5 '2-(N-MORPHOLINO)-ETHANESULFONIC ACID' MES 6 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL XPE 7 water HOH #