data_4AVS # _entry.id 4AVS # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4AVS PDBE EBI-52684 WWPDB D_1290052684 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.content_type _pdbx_database_related.details PDB 1GYK unspecified 'SERUM AMYLOID P COMPONENT CO-CRYSTALLISED WITH MOBDG AT NEUTRAL PH' PDB 1LGN unspecified 'DECAMERIC DAMP COMPLEX OF HUMAN SERUM AMYLOID P COMPONENT' PDB 1SAC unspecified 'SERUM AMYLOID P COMPONENT (SAP)' PDB 2A3W unspecified ;DECAMERIC STRUCTURE OF HUMAN SERUM AMYLOID P- COMPONENTBOUND TO BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL- 1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE ; PDB 2A3X unspecified ;DECAMERIC CRYSTAL STRUCTURE OF HUMAN SERUM AMYLOID P- COMPONENT BOUND TO BIS-1,2-{[(Z)-2CARBOXY- 2-METHYL -1,3-DIOXANE]- 5-YLOXYCARBONYL}-PIPERAZINE ; PDB 2A3Y unspecified ;PENTAMERIC CRYSTAL STRUCTURE OF HUMAN SERUM AMYLOID P- COMPONENT BOUND TO BIS-1,2-{[(Z)-2CARBOXY-2-METHYL- 1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE. ; PDB 2W08 unspecified 'THE STRUCTURE OF SERUM AMYLOID P COMPONENT BOUND TO 0-PHOSPHO-THREONINE' PDB 4AVT unspecified 'STRUCTURE OF CPHPC BOUND TO SERUM AMYLOID P COMPONENT' PDB 4AVV unspecified 'STRUCTURE OF CPHPC BOUND TO SERUM AMYLOID P COMPONENT' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4AVS _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2012-05-29 _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 'Kolstoe, S.' 1 'Wood, S.P.' 2 # _citation.id primary _citation.title 'Interaction of Serum Amyloid P Component with Hexanoyl Bis(D-Proline) (Cphpc)' _citation.journal_abbrev 'Acta Crystallogr.,Sect.D' _citation.journal_volume 70 _citation.page_first 2232 _citation.page_last ? _citation.year 2014 _citation.journal_id_ASTM ABCRE6 _citation.country DK _citation.journal_id_ISSN 0907-4449 _citation.journal_id_CSD 0766 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 25084341 _citation.pdbx_database_id_DOI 10.1107/S1399004714013455 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Kolstoe, S.E.' 1 primary 'Jenvey, M.C.' 2 primary 'Purvis, A.' 3 primary 'Light, M.E.' 4 primary 'Thompson, D.' 5 primary 'Hughes, P.' 6 primary 'Pepys, M.B.' 7 primary 'Wood, S.P.' 8 # _cell.entry_id 4AVS _cell.length_a 94.966 _cell.length_b 69.937 _cell.length_c 102.347 _cell.angle_alpha 90.00 _cell.angle_beta 96.97 _cell.angle_gamma 90.00 _cell.Z_PDB 10 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4AVS _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 # 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 'SERUM AMYLOID P-COMPONENT' 23282.455 5 ? ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 3 non-polymer syn 'CALCIUM ION' 40.078 10 ? ? ? ? 4 non-polymer syn 1-ACETYL-L-PROLINE 157.167 5 ? ? ? ? 5 water nat water 18.015 1275 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'SAP, 9.5S ALPHA-1-GLYCOPROTEIN' # _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 ;HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKV TSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMW DSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV ; _entity_poly.pdbx_seq_one_letter_code_can ;HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKV TSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMW DSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV ; _entity_poly.pdbx_strand_id A,B,C,D,E _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 HIS n 1 2 THR n 1 3 ASP n 1 4 LEU n 1 5 SER n 1 6 GLY n 1 7 LYS n 1 8 VAL n 1 9 PHE n 1 10 VAL n 1 11 PHE n 1 12 PRO n 1 13 ARG n 1 14 GLU n 1 15 SER n 1 16 VAL n 1 17 THR n 1 18 ASP n 1 19 HIS n 1 20 VAL n 1 21 ASN n 1 22 LEU n 1 23 ILE n 1 24 THR n 1 25 PRO n 1 26 LEU n 1 27 GLU n 1 28 LYS n 1 29 PRO n 1 30 LEU n 1 31 GLN n 1 32 ASN n 1 33 PHE n 1 34 THR n 1 35 LEU n 1 36 CYS n 1 37 PHE n 1 38 ARG n 1 39 ALA n 1 40 TYR n 1 41 SER n 1 42 ASP n 1 43 LEU n 1 44 SER n 1 45 ARG n 1 46 ALA n 1 47 TYR n 1 48 SER n 1 49 LEU n 1 50 PHE n 1 51 SER n 1 52 TYR n 1 53 ASN n 1 54 THR n 1 55 GLN n 1 56 GLY n 1 57 ARG n 1 58 ASP n 1 59 ASN n 1 60 GLU n 1 61 LEU n 1 62 LEU n 1 63 VAL n 1 64 TYR n 1 65 LYS n 1 66 GLU n 1 67 ARG n 1 68 VAL n 1 69 GLY n 1 70 GLU n 1 71 TYR n 1 72 SER n 1 73 LEU n 1 74 TYR n 1 75 ILE n 1 76 GLY n 1 77 ARG n 1 78 HIS n 1 79 LYS n 1 80 VAL n 1 81 THR n 1 82 SER n 1 83 LYS n 1 84 VAL n 1 85 ILE n 1 86 GLU n 1 87 LYS n 1 88 PHE n 1 89 PRO n 1 90 ALA n 1 91 PRO n 1 92 VAL n 1 93 HIS n 1 94 ILE n 1 95 CYS n 1 96 VAL n 1 97 SER n 1 98 TRP n 1 99 GLU n 1 100 SER n 1 101 SER n 1 102 SER n 1 103 GLY n 1 104 ILE n 1 105 ALA n 1 106 GLU n 1 107 PHE n 1 108 TRP n 1 109 ILE n 1 110 ASN n 1 111 GLY n 1 112 THR n 1 113 PRO n 1 114 LEU n 1 115 VAL n 1 116 LYS n 1 117 LYS n 1 118 GLY n 1 119 LEU n 1 120 ARG n 1 121 GLN n 1 122 GLY n 1 123 TYR n 1 124 PHE n 1 125 VAL n 1 126 GLU n 1 127 ALA n 1 128 GLN n 1 129 PRO n 1 130 LYS n 1 131 ILE n 1 132 VAL n 1 133 LEU n 1 134 GLY n 1 135 GLN n 1 136 GLU n 1 137 GLN n 1 138 ASP n 1 139 SER n 1 140 TYR n 1 141 GLY n 1 142 GLY n 1 143 LYS n 1 144 PHE n 1 145 ASP n 1 146 ARG n 1 147 SER n 1 148 GLN n 1 149 SER n 1 150 PHE n 1 151 VAL n 1 152 GLY n 1 153 GLU n 1 154 ILE n 1 155 GLY n 1 156 ASP n 1 157 LEU n 1 158 TYR n 1 159 MET n 1 160 TRP n 1 161 ASP n 1 162 SER n 1 163 VAL n 1 164 LEU n 1 165 PRO n 1 166 PRO n 1 167 GLU n 1 168 ASN n 1 169 ILE n 1 170 LEU n 1 171 SER n 1 172 ALA n 1 173 TYR n 1 174 GLN n 1 175 GLY n 1 176 THR n 1 177 PRO n 1 178 LEU n 1 179 PRO n 1 180 ALA n 1 181 ASN n 1 182 ILE n 1 183 LEU n 1 184 ASP n 1 185 TRP n 1 186 GLN n 1 187 ALA n 1 188 LEU n 1 189 ASN n 1 190 TYR n 1 191 GLU n 1 192 ILE n 1 193 ARG n 1 194 GLY n 1 195 TYR n 1 196 VAL n 1 197 ILE n 1 198 ILE n 1 199 LYS n 1 200 PRO n 1 201 LEU n 1 202 VAL n 1 203 TRP n 1 204 VAL 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 SERUM _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 SAMP_HUMAN _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession P02743 _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 4AVS A 1 ? 204 ? P02743 20 ? 223 ? 1 204 2 1 4AVS B 1 ? 204 ? P02743 20 ? 223 ? 1 204 3 1 4AVS C 1 ? 204 ? P02743 20 ? 223 ? 1 204 4 1 4AVS D 1 ? 204 ? P02743 20 ? 223 ? 1 204 5 1 4AVS E 1 ? 204 ? P02743 20 ? 223 ? 1 204 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 N7P 'L-peptide linking' n 1-ACETYL-L-PROLINE N-ACETYLPROLINE 'C7 H11 N O3' 157.167 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 4AVS _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.7 _exptl_crystal.density_percent_sol 55 _exptl_crystal.description NONE # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 8 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '0.06 M TRIS-HCL, PH 8, 16% PEG 550 MME, 0.01 M CACL2, 0.08 M NACL AND 0.1% NAN3' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 4' _diffrn_detector.pdbx_collection_date ? _diffrn_detector.details ? # _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 0.98 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE ID14-2' _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline ID14-2 _diffrn_source.pdbx_wavelength 0.98 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4AVS _reflns.observed_criterion_sigma_I 2.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 30.43 _reflns.d_resolution_high 1.40 _reflns.number_obs 251592 _reflns.number_all ? _reflns.percent_possible_obs 96.4 _reflns.pdbx_Rmerge_I_obs 0.13 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 7.20 _reflns.B_iso_Wilson_estimate 8.47 _reflns.pdbx_redundancy 3.6 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 1.40 _reflns_shell.d_res_low 1.48 _reflns_shell.percent_possible_all 95.7 _reflns_shell.Rmerge_I_obs 0.43 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 3.50 _reflns_shell.pdbx_redundancy 3.7 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4AVS _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 251494 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.35 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 30.479 _refine.ls_d_res_high 1.399 _refine.ls_percent_reflns_obs 96.09 _refine.ls_R_factor_obs 0.1443 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1441 _refine.ls_R_factor_R_free 0.1703 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 0.8 _refine.ls_number_reflns_R_free 2003 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 13.2 _refine.aniso_B[1][1] -2.0774 _refine.aniso_B[2][2] 0.2681 _refine.aniso_B[3][3] 1.8093 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] -0.0840 _refine.aniso_B[2][3] 0.0000 _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol 0.410 _refine.solvent_model_param_bsol 48.227 _refine.pdbx_solvent_vdw_probe_radii 1.10 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.86 _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model 'PDB ENTRY 1SAC' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.26 _refine.pdbx_overall_phase_error 13.31 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 8245 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 135 _refine_hist.number_atoms_solvent 1275 _refine_hist.number_atoms_total 9655 _refine_hist.d_res_high 1.399 _refine_hist.d_res_low 30.479 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function f_bond_d 0.010 ? ? 8808 'X-RAY DIFFRACTION' ? f_angle_d 1.365 ? ? 12028 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 13.748 ? ? 3228 'X-RAY DIFFRACTION' ? f_chiral_restr 0.088 ? ? 1299 'X-RAY DIFFRACTION' ? f_plane_restr 0.007 ? ? 1546 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all 'X-RAY DIFFRACTION' . 1.3993 1.4343 17367 0.1666 94.00 0.2056 . . 150 . . 'X-RAY DIFFRACTION' . 1.4343 1.4731 17686 0.1745 96.00 0.2183 . . 136 . . 'X-RAY DIFFRACTION' . 1.4731 1.5164 17684 0.1538 96.00 0.1976 . . 143 . . 'X-RAY DIFFRACTION' . 1.5164 1.5653 17768 0.1308 96.00 0.1412 . . 142 . . 'X-RAY DIFFRACTION' . 1.5653 1.6213 17871 0.1080 97.00 0.1803 . . 140 . . 'X-RAY DIFFRACTION' . 1.6213 1.6862 17886 0.1064 97.00 0.1449 . . 157 . . 'X-RAY DIFFRACTION' . 1.6862 1.7629 17959 0.1070 97.00 0.1449 . . 136 . . 'X-RAY DIFFRACTION' . 1.7629 1.8559 18040 0.1081 97.00 0.1353 . . 146 . . 'X-RAY DIFFRACTION' . 1.8559 1.9721 18086 0.1536 98.00 0.1970 . . 131 . . 'X-RAY DIFFRACTION' . 1.9721 2.1243 18145 0.1240 98.00 0.1423 . . 160 . . 'X-RAY DIFFRACTION' . 2.1243 2.3381 18308 0.1521 98.00 0.1959 . . 141 . . 'X-RAY DIFFRACTION' . 2.3381 2.6762 18341 0.1412 99.00 0.1711 . . 146 . . 'X-RAY DIFFRACTION' . 2.6762 3.3710 18382 0.1476 98.00 0.1589 . . 144 . . 'X-RAY DIFFRACTION' . 3.3710 30.4860 15968 0.1780 84.00 0.1799 . . 131 . . # _struct.entry_id 4AVS _struct.title 'Structure of N-Acetyl-L-Proline bound to Serum Amyloid P Component' _struct.pdbx_descriptor 'SERUM AMYLOID P-COMPONENT' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4AVS _struct_keywords.pdbx_keywords 'SUGAR BINDING PROTEIN' _struct_keywords.text 'SUGAR BINDING PROTEIN, GLYCOPROTEIN, DISULFIDE BOND, LECTIN, METAL-BINDING' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 1 ? D N N 1 ? E N N 1 ? F N N 2 ? G N N 3 ? H N N 3 ? I N N 4 ? J N N 2 ? K N N 3 ? L N N 3 ? M N N 4 ? N N N 2 ? O N N 3 ? P N N 3 ? Q N N 4 ? R N N 2 ? S N N 3 ? T N N 3 ? U N N 4 ? V N N 2 ? W N N 3 ? X N N 3 ? Y N N 4 ? Z N N 5 ? AA N N 5 ? BA N N 5 ? CA N N 5 ? DA N N 5 ? # _struct_biol.id 1 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 ASP A 145 ? SER A 149 ? ASP A 145 SER A 149 5 ? 5 HELX_P HELX_P2 2 PRO A 165 ? GLY A 175 ? PRO A 165 GLY A 175 1 ? 11 HELX_P HELX_P3 3 ASP B 145 ? SER B 149 ? ASP B 145 SER B 149 5 ? 5 HELX_P HELX_P4 4 PRO B 165 ? GLN B 174 ? PRO B 165 GLN B 174 1 ? 10 HELX_P HELX_P5 5 ASP C 145 ? SER C 149 ? ASP C 145 SER C 149 5 ? 5 HELX_P HELX_P6 6 PRO C 165 ? GLN C 174 ? PRO C 165 GLN C 174 1 ? 10 HELX_P HELX_P7 7 ASP D 145 ? SER D 149 ? ASP D 145 SER D 149 5 ? 5 HELX_P HELX_P8 8 PRO D 165 ? GLN D 174 ? PRO D 165 GLN D 174 1 ? 10 HELX_P HELX_P9 9 ASP E 145 ? SER E 149 ? ASP E 145 SER E 149 5 ? 5 HELX_P HELX_P10 10 PRO E 165 ? GLY E 175 ? PRO E 165 GLY E 175 1 ? 11 # _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 36 SG A ? ? 1_555 A CYS 95 SG A ? A CYS 36 A CYS 95 1_555 ? ? ? ? ? ? ? 2.054 ? disulf2 disulf ? ? B CYS 36 SG A ? ? 1_555 B CYS 95 SG A ? B CYS 36 B CYS 95 1_555 ? ? ? ? ? ? ? 2.060 ? disulf3 disulf ? ? C CYS 36 SG A ? ? 1_555 C CYS 95 SG A ? C CYS 36 C CYS 95 1_555 ? ? ? ? ? ? ? 2.022 ? disulf4 disulf ? ? D CYS 36 SG A ? ? 1_555 D CYS 95 SG A ? D CYS 36 D CYS 95 1_555 ? ? ? ? ? ? ? 2.032 ? disulf5 disulf ? ? E CYS 36 SG A ? ? 1_555 E CYS 95 SG A ? E CYS 36 E CYS 95 1_555 ? ? ? ? ? ? ? 2.030 ? covale1 covale ? ? A ASN 32 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 32 A NAG 205 1_555 ? ? ? ? ? ? ? 1.448 ? metalc1 metalc ? ? G CA . CA ? ? ? 1_555 A GLU 136 OE1 ? ? A CA 206 A GLU 136 1_555 ? ? ? ? ? ? ? 2.600 ? metalc2 metalc ? ? G CA . CA ? ? ? 1_555 A GLN 137 O ? ? A CA 206 A GLN 137 1_555 ? ? ? ? ? ? ? 2.411 ? metalc3 metalc ? ? G CA . CA ? ? ? 1_555 A ASP 138 OD1 ? ? A CA 206 A ASP 138 1_555 ? ? ? ? ? ? ? 2.396 ? metalc4 metalc ? ? G CA . CA ? ? ? 1_555 A ASP 58 OD1 ? ? A CA 206 A ASP 58 1_555 ? ? ? ? ? ? ? 2.505 ? metalc5 metalc ? ? G CA . CA ? ? ? 1_555 A ASN 59 OD1 ? ? A CA 206 A ASN 59 1_555 ? ? ? ? ? ? ? 2.434 ? metalc6 metalc ? ? G CA . CA ? ? ? 1_555 A GLU 136 OE2 ? ? A CA 206 A GLU 136 1_555 ? ? ? ? ? ? ? 2.441 ? metalc7 metalc ? ? G CA . CA ? ? ? 1_555 I N7P . OXT ? ? A CA 206 A N7P 208 1_555 ? ? ? ? ? ? ? 2.543 ? metalc8 metalc ? ? G CA . CA ? ? ? 1_555 A ASP 58 OD2 ? ? A CA 206 A ASP 58 1_555 ? ? ? ? ? ? ? 2.660 ? metalc9 metalc ? ? H CA . CA ? ? ? 1_555 A GLU 136 OE1 ? ? A CA 207 A GLU 136 1_555 ? ? ? ? ? ? ? 2.394 ? metalc10 metalc ? ? H CA . CA ? ? ? 1_555 A GLN 148 OE1 ? ? A CA 207 A GLN 148 1_555 ? ? ? ? ? ? ? 2.382 ? metalc11 metalc ? ? H CA . CA ? ? ? 1_555 Z HOH . O ? ? A CA 207 A HOH 2195 1_555 ? ? ? ? ? ? ? 2.434 ? metalc12 metalc ? ? H CA . CA ? ? ? 1_555 Z HOH . O ? ? A CA 207 A HOH 2196 1_555 ? ? ? ? ? ? ? 2.486 ? metalc13 metalc ? ? H CA . CA ? ? ? 1_555 A ASP 138 OD1 ? ? A CA 207 A ASP 138 1_555 ? ? ? ? ? ? ? 2.554 ? metalc14 metalc ? ? H CA . CA ? ? ? 1_555 A ASP 138 OD2 ? ? A CA 207 A ASP 138 1_555 ? ? ? ? ? ? ? 2.533 ? metalc15 metalc ? ? H CA . CA ? ? ? 1_555 I N7P . O ? ? A CA 207 A N7P 208 1_555 ? ? ? ? ? ? ? 2.339 ? covale2 covale ? ? B ASN 32 ND2 ? ? ? 1_555 J NAG . C1 ? ? B ASN 32 B NAG 205 1_555 ? ? ? ? ? ? ? 1.454 ? metalc16 metalc ? ? K CA . CA ? ? ? 1_555 B GLN 148 OE1 ? ? B CA 206 B GLN 148 1_555 ? ? ? ? ? ? ? 2.411 ? metalc17 metalc ? ? K CA . CA ? ? ? 1_555 M N7P . O ? ? B CA 206 B N7P 208 1_555 ? ? ? ? ? ? ? 2.231 ? metalc18 metalc ? ? K CA . CA ? ? ? 1_555 AA HOH . O ? ? B CA 206 B HOH 2186 1_555 ? ? ? ? ? ? ? 2.390 ? metalc19 metalc ? ? K CA . CA ? ? ? 1_555 B ASP 138 OD2 ? ? B CA 206 B ASP 138 1_555 ? ? ? ? ? ? ? 2.501 ? metalc20 metalc ? ? K CA . CA ? ? ? 1_555 B GLU 136 OE1 ? ? B CA 206 B GLU 136 1_555 ? ? ? ? ? ? ? 2.379 ? metalc21 metalc ? ? K CA . CA ? ? ? 1_555 B ASP 138 OD1 ? ? B CA 206 B ASP 138 1_555 ? ? ? ? ? ? ? 2.546 ? metalc22 metalc ? ? K CA . CA ? ? ? 1_555 AA HOH . O ? ? B CA 206 B HOH 2183 1_555 ? ? ? ? ? ? ? 2.392 ? metalc23 metalc ? ? L CA . CA ? ? ? 1_555 M N7P . OXT ? ? B CA 207 B N7P 208 1_555 ? ? ? ? ? ? ? 2.474 ? metalc24 metalc ? ? L CA . CA ? ? ? 1_555 B ASN 59 OD1 ? ? B CA 207 B ASN 59 1_555 ? ? ? ? ? ? ? 2.417 ? metalc25 metalc ? ? L CA . CA ? ? ? 1_555 B ASP 58 OD2 ? ? B CA 207 B ASP 58 1_555 ? ? ? ? ? ? ? 2.664 ? metalc26 metalc ? ? L CA . CA ? ? ? 1_555 B ASP 58 OD1 ? ? B CA 207 B ASP 58 1_555 ? ? ? ? ? ? ? 2.471 ? metalc27 metalc ? ? L CA . CA ? ? ? 1_555 B ASP 138 OD1 ? ? B CA 207 B ASP 138 1_555 ? ? ? ? ? ? ? 2.355 ? metalc28 metalc ? ? L CA . CA ? ? ? 1_555 B GLN 137 O ? ? B CA 207 B GLN 137 1_555 ? ? ? ? ? ? ? 2.385 ? metalc29 metalc ? ? L CA . CA ? ? ? 1_555 B GLU 136 OE1 ? ? B CA 207 B GLU 136 1_555 ? ? ? ? ? ? ? 2.578 ? metalc30 metalc ? ? L CA . CA ? ? ? 1_555 B GLU 136 OE2 ? ? B CA 207 B GLU 136 1_555 ? ? ? ? ? ? ? 2.477 ? covale3 covale ? ? C ASN 32 ND2 ? ? ? 1_555 N NAG . C1 ? ? C ASN 32 C NAG 205 1_555 ? ? ? ? ? ? ? 1.443 ? metalc31 metalc ? ? O CA . CA ? ? ? 1_555 Q N7P . OXT ? ? C CA 206 C N7P 208 1_555 ? ? ? ? ? ? ? 2.500 ? metalc32 metalc ? ? O CA . CA ? ? ? 1_555 C GLN 137 O ? ? C CA 206 C GLN 137 1_555 ? ? ? ? ? ? ? 2.415 ? metalc33 metalc ? ? O CA . CA ? ? ? 1_555 C ASN 59 OD1 ? ? C CA 206 C ASN 59 1_555 ? ? ? ? ? ? ? 2.388 ? metalc34 metalc ? ? O CA . CA ? ? ? 1_555 C ASP 58 OD2 ? ? C CA 206 C ASP 58 1_555 ? ? ? ? ? ? ? 2.774 ? metalc35 metalc ? ? O CA . CA ? ? ? 1_555 C ASP 138 OD1 ? ? C CA 206 C ASP 138 1_555 ? ? ? ? ? ? ? 2.365 ? metalc36 metalc ? ? O CA . CA ? ? ? 1_555 C ASP 58 OD1 ? ? C CA 206 C ASP 58 1_555 ? ? ? ? ? ? ? 2.437 ? metalc37 metalc ? ? O CA . CA ? ? ? 1_555 C GLU 136 OE2 ? ? C CA 206 C GLU 136 1_555 ? ? ? ? ? ? ? 2.445 ? metalc38 metalc ? ? O CA . CA ? ? ? 1_555 C GLU 136 OE1 ? ? C CA 206 C GLU 136 1_555 ? ? ? ? ? ? ? 2.603 ? metalc39 metalc ? ? P CA . CA ? ? ? 1_555 C GLU 136 OE1 ? ? C CA 207 C GLU 136 1_555 ? ? ? ? ? ? ? 2.361 ? metalc40 metalc ? ? P CA . CA ? ? ? 1_555 C ASP 138 OD1 ? ? C CA 207 C ASP 138 1_555 ? ? ? ? ? ? ? 2.581 ? metalc41 metalc ? ? P CA . CA ? ? ? 1_555 C ASP 138 OD2 ? ? C CA 207 C ASP 138 1_555 ? ? ? ? ? ? ? 2.522 ? metalc42 metalc ? ? P CA . CA ? ? ? 1_555 C GLN 148 OE1 ? ? C CA 207 C GLN 148 1_555 ? ? ? ? ? ? ? 2.378 ? metalc43 metalc ? ? P CA . CA ? ? ? 1_555 BA HOH . O ? ? C CA 207 C HOH 2192 1_555 ? ? ? ? ? ? ? 2.387 ? metalc44 metalc ? ? P CA . CA ? ? ? 1_555 Q N7P . O ? ? C CA 207 C N7P 208 1_555 ? ? ? ? ? ? ? 2.307 ? metalc45 metalc ? ? P CA . CA ? ? ? 1_555 BA HOH . O ? ? C CA 207 C HOH 2188 1_555 ? ? ? ? ? ? ? 2.358 ? covale4 covale ? ? D ASN 32 ND2 ? ? ? 1_555 R NAG . C1 ? ? D ASN 32 D NAG 205 1_555 ? ? ? ? ? ? ? 1.451 ? metalc46 metalc ? ? S CA . CA ? ? ? 1_555 CA HOH . O ? ? D CA 206 D HOH 2189 1_555 ? ? ? ? ? ? ? 2.419 ? metalc47 metalc ? ? S CA . CA ? ? ? 1_555 D ASP 138 OD2 ? ? D CA 206 D ASP 138 1_555 ? ? ? ? ? ? ? 2.564 ? metalc48 metalc ? ? S CA . CA ? ? ? 1_555 CA HOH . O ? ? D CA 206 D HOH 2190 1_555 ? ? ? ? ? ? ? 2.439 ? metalc49 metalc ? ? S CA . CA ? ? ? 1_555 U N7P . O ? ? D CA 206 D N7P 208 1_555 ? ? ? ? ? ? ? 2.300 ? metalc50 metalc ? ? S CA . CA ? ? ? 1_555 D GLN 148 OE1 ? ? D CA 206 D GLN 148 1_555 ? ? ? ? ? ? ? 2.411 ? metalc51 metalc ? ? S CA . CA ? ? ? 1_555 D ASP 138 OD1 ? ? D CA 206 D ASP 138 1_555 ? ? ? ? ? ? ? 2.584 ? metalc52 metalc ? ? S CA . CA ? ? ? 1_555 D GLU 136 OE1 ? ? D CA 206 D GLU 136 1_555 ? ? ? ? ? ? ? 2.356 ? metalc53 metalc ? ? T CA . CA ? ? ? 1_555 D ASP 58 OD1 ? ? D CA 207 D ASP 58 1_555 ? ? ? ? ? ? ? 2.471 ? metalc54 metalc ? ? T CA . CA ? ? ? 1_555 D ASN 59 OD1 ? ? D CA 207 D ASN 59 1_555 ? ? ? ? ? ? ? 2.413 ? metalc55 metalc ? ? T CA . CA ? ? ? 1_555 D GLU 136 OE2 ? ? D CA 207 D GLU 136 1_555 ? ? ? ? ? ? ? 2.467 ? metalc56 metalc ? ? T CA . CA ? ? ? 1_555 D GLU 136 OE1 ? ? D CA 207 D GLU 136 1_555 ? ? ? ? ? ? ? 2.591 ? metalc57 metalc ? ? T CA . CA ? ? ? 1_555 D ASP 58 OD2 ? ? D CA 207 D ASP 58 1_555 ? ? ? ? ? ? ? 2.696 ? metalc58 metalc ? ? T CA . CA ? ? ? 1_555 D ASP 138 OD1 ? ? D CA 207 D ASP 138 1_555 ? ? ? ? ? ? ? 2.349 ? metalc59 metalc ? ? T CA . CA ? ? ? 1_555 U N7P . OXT ? ? D CA 207 D N7P 208 1_555 ? ? ? ? ? ? ? 2.483 ? metalc60 metalc ? ? T CA . CA ? ? ? 1_555 D GLN 137 O ? ? D CA 207 D GLN 137 1_555 ? ? ? ? ? ? ? 2.410 ? covale5 covale ? ? E ASN 32 ND2 ? ? ? 1_555 V NAG . C1 ? ? E ASN 32 E NAG 205 1_555 ? ? ? ? ? ? ? 1.447 ? metalc61 metalc ? ? W CA . CA ? ? ? 1_555 Y N7P . OXT ? ? E CA 206 E N7P 208 1_555 ? ? ? ? ? ? ? 2.482 ? metalc62 metalc ? ? W CA . CA ? ? ? 1_555 E ASP 138 OD1 ? ? E CA 206 E ASP 138 1_555 ? ? ? ? ? ? ? 2.374 ? metalc63 metalc ? ? W CA . CA ? ? ? 1_555 E GLU 136 OE1 ? ? E CA 206 E GLU 136 1_555 ? ? ? ? ? ? ? 2.613 ? metalc64 metalc ? ? W CA . CA ? ? ? 1_555 E ASP 58 OD2 ? ? E CA 206 E ASP 58 1_555 ? ? ? ? ? ? ? 2.663 ? metalc65 metalc ? ? W CA . CA ? ? ? 1_555 E GLN 137 O ? ? E CA 206 E GLN 137 1_555 ? ? ? ? ? ? ? 2.415 ? metalc66 metalc ? ? W CA . CA ? ? ? 1_555 E GLU 136 OE2 ? ? E CA 206 E GLU 136 1_555 ? ? ? ? ? ? ? 2.454 ? metalc67 metalc ? ? W CA . CA ? ? ? 1_555 E ASN 59 OD1 ? ? E CA 206 E ASN 59 1_555 ? ? ? ? ? ? ? 2.410 ? metalc68 metalc ? ? W CA . CA ? ? ? 1_555 E ASP 58 OD1 ? ? E CA 206 E ASP 58 1_555 ? ? ? ? ? ? ? 2.498 ? metalc69 metalc ? ? X CA . CA ? ? ? 1_555 DA HOH . O ? ? E CA 207 E HOH 2185 1_555 ? ? ? ? ? ? ? 2.447 ? metalc70 metalc ? ? X CA . CA ? ? ? 1_555 DA HOH . O ? ? E CA 207 E HOH 2183 1_555 ? ? ? ? ? ? ? 2.375 ? metalc71 metalc ? ? X CA . CA ? ? ? 1_555 E GLU 136 OE1 ? ? E CA 207 E GLU 136 1_555 ? ? ? ? ? ? ? 2.346 ? metalc72 metalc ? ? X CA . CA ? ? ? 1_555 E ASP 138 OD1 ? ? E CA 207 E ASP 138 1_555 ? ? ? ? ? ? ? 2.544 ? metalc73 metalc ? ? X CA . CA ? ? ? 1_555 E ASP 138 OD2 ? ? E CA 207 E ASP 138 1_555 ? ? ? ? ? ? ? 2.539 ? metalc74 metalc ? ? X CA . CA ? ? ? 1_555 Y N7P . O ? ? E CA 207 E N7P 208 1_555 ? ? ? ? ? ? ? 2.293 ? metalc75 metalc ? ? X CA . CA ? ? ? 1_555 E GLN 148 OE1 ? ? E CA 207 E GLN 148 1_555 ? ? ? ? ? ? ? 2.437 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 PHE 88 A . ? PHE 88 A PRO 89 A ? PRO 89 A 1 -6.41 2 PHE 88 B . ? PHE 88 B PRO 89 B ? PRO 89 B 1 -10.57 3 PHE 88 C . ? PHE 88 C PRO 89 C ? PRO 89 C 1 -6.89 4 PHE 88 D . ? PHE 88 D PRO 89 D ? PRO 89 D 1 -9.78 5 PHE 88 E . ? PHE 88 E PRO 89 E ? PRO 89 E 1 -9.25 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA ? 2 ? AB ? 2 ? AC ? 2 ? AD ? 4 ? AE ? 7 ? AF ? 7 ? AG ? 7 ? BA ? 2 ? BB ? 2 ? BC ? 2 ? BD ? 4 ? BE ? 7 ? BF ? 7 ? BG ? 7 ? CA ? 2 ? CB ? 2 ? CC ? 2 ? CD ? 4 ? CE ? 7 ? CF ? 7 ? CG ? 7 ? DA ? 2 ? DB ? 2 ? DC ? 2 ? DD ? 4 ? DE ? 7 ? DF ? 7 ? DG ? 7 ? EA ? 2 ? EB ? 2 ? EC ? 2 ? ED ? 4 ? EE ? 7 ? EF ? 7 ? EG ? 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 AB 1 2 ? anti-parallel AC 1 2 ? parallel AD 1 2 ? anti-parallel AD 2 3 ? anti-parallel AD 3 4 ? parallel AE 1 2 ? anti-parallel AE 2 3 ? anti-parallel AE 3 4 ? anti-parallel AE 4 5 ? anti-parallel AE 5 6 ? anti-parallel AE 6 7 ? anti-parallel AF 1 2 ? anti-parallel AF 2 3 ? anti-parallel AF 3 4 ? anti-parallel AF 4 5 ? anti-parallel AF 5 6 ? anti-parallel AF 6 7 ? anti-parallel AG 1 2 ? anti-parallel AG 2 3 ? anti-parallel AG 3 4 ? anti-parallel AG 4 5 ? anti-parallel AG 5 6 ? anti-parallel AG 6 7 ? anti-parallel BA 1 2 ? anti-parallel BB 1 2 ? anti-parallel BC 1 2 ? parallel BD 1 2 ? anti-parallel BD 2 3 ? anti-parallel BD 3 4 ? parallel BE 1 2 ? anti-parallel BE 2 3 ? anti-parallel BE 3 4 ? anti-parallel BE 4 5 ? anti-parallel BE 5 6 ? anti-parallel BE 6 7 ? anti-parallel BF 1 2 ? anti-parallel BF 2 3 ? anti-parallel BF 3 4 ? anti-parallel BF 4 5 ? anti-parallel BF 5 6 ? anti-parallel BF 6 7 ? anti-parallel BG 1 2 ? anti-parallel BG 2 3 ? anti-parallel BG 3 4 ? anti-parallel BG 4 5 ? anti-parallel BG 5 6 ? anti-parallel BG 6 7 ? anti-parallel CA 1 2 ? anti-parallel CB 1 2 ? anti-parallel CC 1 2 ? parallel CD 1 2 ? anti-parallel CD 2 3 ? anti-parallel CD 3 4 ? parallel CE 1 2 ? anti-parallel CE 2 3 ? anti-parallel CE 3 4 ? anti-parallel CE 4 5 ? anti-parallel CE 5 6 ? anti-parallel CE 6 7 ? anti-parallel CF 1 2 ? anti-parallel CF 2 3 ? anti-parallel CF 3 4 ? anti-parallel CF 4 5 ? anti-parallel CF 5 6 ? anti-parallel CF 6 7 ? anti-parallel CG 1 2 ? anti-parallel CG 2 3 ? anti-parallel CG 3 4 ? anti-parallel CG 4 5 ? anti-parallel CG 5 6 ? anti-parallel CG 6 7 ? anti-parallel DA 1 2 ? anti-parallel DB 1 2 ? anti-parallel DC 1 2 ? parallel DD 1 2 ? anti-parallel DD 2 3 ? anti-parallel DD 3 4 ? parallel DE 1 2 ? anti-parallel DE 2 3 ? anti-parallel DE 3 4 ? anti-parallel DE 4 5 ? anti-parallel DE 5 6 ? anti-parallel DE 6 7 ? anti-parallel DF 1 2 ? anti-parallel DF 2 3 ? anti-parallel DF 3 4 ? anti-parallel DF 4 5 ? anti-parallel DF 5 6 ? anti-parallel DF 6 7 ? anti-parallel DG 1 2 ? anti-parallel DG 2 3 ? anti-parallel DG 3 4 ? anti-parallel DG 4 5 ? anti-parallel DG 5 6 ? anti-parallel DG 6 7 ? anti-parallel EA 1 2 ? anti-parallel EB 1 2 ? anti-parallel EC 1 2 ? parallel ED 1 2 ? anti-parallel ED 2 3 ? anti-parallel ED 3 4 ? parallel EE 1 2 ? anti-parallel EE 2 3 ? anti-parallel EE 3 4 ? anti-parallel EE 4 5 ? anti-parallel EE 5 6 ? anti-parallel EE 6 7 ? anti-parallel EF 1 2 ? anti-parallel EF 2 3 ? anti-parallel EF 3 4 ? anti-parallel EF 4 5 ? anti-parallel EF 5 6 ? anti-parallel EF 6 7 ? anti-parallel EG 1 2 ? anti-parallel EG 2 3 ? anti-parallel EG 3 4 ? anti-parallel EG 4 5 ? anti-parallel EG 5 6 ? anti-parallel EG 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 THR A 112 ? PRO A 113 ? THR A 112 PRO A 113 AA 2 ILE A 104 ? ILE A 109 ? ILE A 104 ILE A 109 AB 1 LYS A 117 ? GLY A 118 ? LYS A 117 GLY A 118 AB 2 ILE A 104 ? ILE A 109 ? ILE A 104 ILE A 109 AC 1 LEU A 183 ? ASP A 184 ? LEU A 183 ASP A 184 AC 2 GLY A 152 ? TRP A 160 ? GLY A 152 TRP A 160 AD 1 ILE A 197 ? PRO A 200 ? ILE A 197 PRO A 200 AD 2 LYS A 7 ? PHE A 11 ? LYS A 7 PHE A 11 AD 3 GLY A 152 ? TRP A 160 ? GLY A 152 TRP A 160 AD 4 LEU A 183 ? ASP A 184 ? LEU A 183 ASP A 184 AE 1 ILE A 197 ? PRO A 200 ? ILE A 197 PRO A 200 AE 2 LYS A 7 ? PHE A 11 ? LYS A 7 PHE A 11 AE 3 GLY A 152 ? TRP A 160 ? GLY A 152 TRP A 160 AE 4 ASN A 32 ? TYR A 40 ? ASN A 32 TYR A 40 AE 5 VAL A 92 ? GLU A 99 ? VAL A 92 GLU A 99 AE 6 ILE A 104 ? ILE A 109 ? ILE A 104 ILE A 109 AE 7 THR A 112 ? PRO A 113 ? THR A 112 PRO A 113 AF 1 ILE A 197 ? PRO A 200 ? ILE A 197 PRO A 200 AF 2 LYS A 7 ? PHE A 11 ? LYS A 7 PHE A 11 AF 3 GLY A 152 ? TRP A 160 ? GLY A 152 TRP A 160 AF 4 ASN A 32 ? TYR A 40 ? ASN A 32 TYR A 40 AF 5 VAL A 92 ? GLU A 99 ? VAL A 92 GLU A 99 AF 6 ILE A 104 ? ILE A 109 ? ILE A 104 ILE A 109 AF 7 LYS A 117 ? GLY A 118 ? LYS A 117 GLY A 118 AG 1 HIS A 78 ? LYS A 83 ? HIS A 78 LYS A 83 AG 2 GLU A 70 ? ILE A 75 ? GLU A 70 ILE A 75 AG 3 ARG A 57 ? ARG A 67 ? ARG A 57 ARG A 67 AG 4 TYR A 47 ? THR A 54 ? TYR A 47 THR A 54 AG 5 LYS A 130 ? LEU A 133 ? LYS A 130 LEU A 133 AG 6 HIS A 19 ? LEU A 22 ? HIS A 19 LEU A 22 AG 7 TYR A 190 ? ARG A 193 ? TYR A 190 ARG A 193 BA 1 THR B 112 ? PRO B 113 ? THR B 112 PRO B 113 BA 2 ILE B 104 ? ILE B 109 ? ILE B 104 ILE B 109 BB 1 LYS B 117 ? GLY B 118 ? LYS B 117 GLY B 118 BB 2 ILE B 104 ? ILE B 109 ? ILE B 104 ILE B 109 BC 1 LEU B 183 ? ASP B 184 ? LEU B 183 ASP B 184 BC 2 GLY B 152 ? TRP B 160 ? GLY B 152 TRP B 160 BD 1 ILE B 197 ? PRO B 200 ? ILE B 197 PRO B 200 BD 2 LYS B 7 ? PHE B 11 ? LYS B 7 PHE B 11 BD 3 GLY B 152 ? TRP B 160 ? GLY B 152 TRP B 160 BD 4 LEU B 183 ? ASP B 184 ? LEU B 183 ASP B 184 BE 1 ILE B 197 ? PRO B 200 ? ILE B 197 PRO B 200 BE 2 LYS B 7 ? PHE B 11 ? LYS B 7 PHE B 11 BE 3 GLY B 152 ? TRP B 160 ? GLY B 152 TRP B 160 BE 4 ASN B 32 ? TYR B 40 ? ASN B 32 TYR B 40 BE 5 VAL B 92 ? GLU B 99 ? VAL B 92 GLU B 99 BE 6 ILE B 104 ? ILE B 109 ? ILE B 104 ILE B 109 BE 7 THR B 112 ? PRO B 113 ? THR B 112 PRO B 113 BF 1 ILE B 197 ? PRO B 200 ? ILE B 197 PRO B 200 BF 2 LYS B 7 ? PHE B 11 ? LYS B 7 PHE B 11 BF 3 GLY B 152 ? TRP B 160 ? GLY B 152 TRP B 160 BF 4 ASN B 32 ? TYR B 40 ? ASN B 32 TYR B 40 BF 5 VAL B 92 ? GLU B 99 ? VAL B 92 GLU B 99 BF 6 ILE B 104 ? ILE B 109 ? ILE B 104 ILE B 109 BF 7 LYS B 117 ? GLY B 118 ? LYS B 117 GLY B 118 BG 1 HIS B 78 ? LYS B 83 ? HIS B 78 LYS B 83 BG 2 GLU B 70 ? ILE B 75 ? GLU B 70 ILE B 75 BG 3 ARG B 57 ? ARG B 67 ? ARG B 57 ARG B 67 BG 4 TYR B 47 ? THR B 54 ? TYR B 47 THR B 54 BG 5 LYS B 130 ? LEU B 133 ? LYS B 130 LEU B 133 BG 6 HIS B 19 ? ILE B 23 ? HIS B 19 ILE B 23 BG 7 ASN B 189 ? ARG B 193 ? ASN B 189 ARG B 193 CA 1 THR C 112 ? PRO C 113 ? THR C 112 PRO C 113 CA 2 ILE C 104 ? ILE C 109 ? ILE C 104 ILE C 109 CB 1 LYS C 117 ? GLY C 118 ? LYS C 117 GLY C 118 CB 2 ILE C 104 ? ILE C 109 ? ILE C 104 ILE C 109 CC 1 LEU C 183 ? ASP C 184 ? LEU C 183 ASP C 184 CC 2 GLY C 152 ? TRP C 160 ? GLY C 152 TRP C 160 CD 1 ILE C 197 ? PRO C 200 ? ILE C 197 PRO C 200 CD 2 LYS C 7 ? PHE C 11 ? LYS C 7 PHE C 11 CD 3 GLY C 152 ? TRP C 160 ? GLY C 152 TRP C 160 CD 4 LEU C 183 ? ASP C 184 ? LEU C 183 ASP C 184 CE 1 ILE C 197 ? PRO C 200 ? ILE C 197 PRO C 200 CE 2 LYS C 7 ? PHE C 11 ? LYS C 7 PHE C 11 CE 3 GLY C 152 ? TRP C 160 ? GLY C 152 TRP C 160 CE 4 ASN C 32 ? TYR C 40 ? ASN C 32 TYR C 40 CE 5 VAL C 92 ? GLU C 99 ? VAL C 92 GLU C 99 CE 6 ILE C 104 ? ILE C 109 ? ILE C 104 ILE C 109 CE 7 THR C 112 ? PRO C 113 ? THR C 112 PRO C 113 CF 1 ILE C 197 ? PRO C 200 ? ILE C 197 PRO C 200 CF 2 LYS C 7 ? PHE C 11 ? LYS C 7 PHE C 11 CF 3 GLY C 152 ? TRP C 160 ? GLY C 152 TRP C 160 CF 4 ASN C 32 ? TYR C 40 ? ASN C 32 TYR C 40 CF 5 VAL C 92 ? GLU C 99 ? VAL C 92 GLU C 99 CF 6 ILE C 104 ? ILE C 109 ? ILE C 104 ILE C 109 CF 7 LYS C 117 ? GLY C 118 ? LYS C 117 GLY C 118 CG 1 HIS C 78 ? LYS C 83 ? HIS C 78 LYS C 83 CG 2 GLU C 70 ? ILE C 75 ? GLU C 70 ILE C 75 CG 3 ARG C 57 ? ARG C 67 ? ARG C 57 ARG C 67 CG 4 TYR C 47 ? THR C 54 ? TYR C 47 THR C 54 CG 5 LYS C 130 ? LEU C 133 ? LYS C 130 LEU C 133 CG 6 HIS C 19 ? LEU C 22 ? HIS C 19 LEU C 22 CG 7 TYR C 190 ? ARG C 193 ? TYR C 190 ARG C 193 DA 1 THR D 112 ? PRO D 113 ? THR D 112 PRO D 113 DA 2 ILE D 104 ? ILE D 109 ? ILE D 104 ILE D 109 DB 1 LYS D 117 ? GLY D 118 ? LYS D 117 GLY D 118 DB 2 ILE D 104 ? ILE D 109 ? ILE D 104 ILE D 109 DC 1 LEU D 183 ? ASP D 184 ? LEU D 183 ASP D 184 DC 2 GLY D 152 ? TRP D 160 ? GLY D 152 TRP D 160 DD 1 ILE D 197 ? PRO D 200 ? ILE D 197 PRO D 200 DD 2 LYS D 7 ? PHE D 11 ? LYS D 7 PHE D 11 DD 3 GLY D 152 ? TRP D 160 ? GLY D 152 TRP D 160 DD 4 LEU D 183 ? ASP D 184 ? LEU D 183 ASP D 184 DE 1 ILE D 197 ? PRO D 200 ? ILE D 197 PRO D 200 DE 2 LYS D 7 ? PHE D 11 ? LYS D 7 PHE D 11 DE 3 GLY D 152 ? TRP D 160 ? GLY D 152 TRP D 160 DE 4 ASN D 32 ? TYR D 40 ? ASN D 32 TYR D 40 DE 5 VAL D 92 ? GLU D 99 ? VAL D 92 GLU D 99 DE 6 ILE D 104 ? ILE D 109 ? ILE D 104 ILE D 109 DE 7 THR D 112 ? PRO D 113 ? THR D 112 PRO D 113 DF 1 ILE D 197 ? PRO D 200 ? ILE D 197 PRO D 200 DF 2 LYS D 7 ? PHE D 11 ? LYS D 7 PHE D 11 DF 3 GLY D 152 ? TRP D 160 ? GLY D 152 TRP D 160 DF 4 ASN D 32 ? TYR D 40 ? ASN D 32 TYR D 40 DF 5 VAL D 92 ? GLU D 99 ? VAL D 92 GLU D 99 DF 6 ILE D 104 ? ILE D 109 ? ILE D 104 ILE D 109 DF 7 LYS D 117 ? GLY D 118 ? LYS D 117 GLY D 118 DG 1 HIS D 78 ? LYS D 83 ? HIS D 78 LYS D 83 DG 2 GLU D 70 ? ILE D 75 ? GLU D 70 ILE D 75 DG 3 ARG D 57 ? ARG D 67 ? ARG D 57 ARG D 67 DG 4 TYR D 47 ? THR D 54 ? TYR D 47 THR D 54 DG 5 LYS D 130 ? LEU D 133 ? LYS D 130 LEU D 133 DG 6 HIS D 19 ? LEU D 22 ? HIS D 19 LEU D 22 DG 7 TYR D 190 ? ARG D 193 ? TYR D 190 ARG D 193 EA 1 THR E 112 ? PRO E 113 ? THR E 112 PRO E 113 EA 2 ILE E 104 ? ILE E 109 ? ILE E 104 ILE E 109 EB 1 LYS E 117 ? GLY E 118 ? LYS E 117 GLY E 118 EB 2 ILE E 104 ? ILE E 109 ? ILE E 104 ILE E 109 EC 1 LEU E 183 ? ASP E 184 ? LEU E 183 ASP E 184 EC 2 GLY E 152 ? TRP E 160 ? GLY E 152 TRP E 160 ED 1 ILE E 197 ? PRO E 200 ? ILE E 197 PRO E 200 ED 2 LYS E 7 ? PHE E 11 ? LYS E 7 PHE E 11 ED 3 GLY E 152 ? TRP E 160 ? GLY E 152 TRP E 160 ED 4 LEU E 183 ? ASP E 184 ? LEU E 183 ASP E 184 EE 1 ILE E 197 ? PRO E 200 ? ILE E 197 PRO E 200 EE 2 LYS E 7 ? PHE E 11 ? LYS E 7 PHE E 11 EE 3 GLY E 152 ? TRP E 160 ? GLY E 152 TRP E 160 EE 4 ASN E 32 ? TYR E 40 ? ASN E 32 TYR E 40 EE 5 VAL E 92 ? GLU E 99 ? VAL E 92 GLU E 99 EE 6 ILE E 104 ? ILE E 109 ? ILE E 104 ILE E 109 EE 7 THR E 112 ? PRO E 113 ? THR E 112 PRO E 113 EF 1 ILE E 197 ? PRO E 200 ? ILE E 197 PRO E 200 EF 2 LYS E 7 ? PHE E 11 ? LYS E 7 PHE E 11 EF 3 GLY E 152 ? TRP E 160 ? GLY E 152 TRP E 160 EF 4 ASN E 32 ? TYR E 40 ? ASN E 32 TYR E 40 EF 5 VAL E 92 ? GLU E 99 ? VAL E 92 GLU E 99 EF 6 ILE E 104 ? ILE E 109 ? ILE E 104 ILE E 109 EF 7 LYS E 117 ? GLY E 118 ? LYS E 117 GLY E 118 EG 1 HIS E 78 ? LYS E 83 ? HIS E 78 LYS E 83 EG 2 GLU E 70 ? ILE E 75 ? GLU E 70 ILE E 75 EG 3 ARG E 57 ? ARG E 67 ? ARG E 57 ARG E 67 EG 4 TYR E 47 ? THR E 54 ? TYR E 47 THR E 54 EG 5 LYS E 130 ? LEU E 133 ? LYS E 130 LEU E 133 EG 6 HIS E 19 ? LEU E 22 ? HIS E 19 LEU E 22 EG 7 TYR E 190 ? ARG E 193 ? TYR E 190 ARG E 193 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA 1 2 N THR A 112 ? N THR A 112 O ILE A 109 ? O ILE A 109 AB 1 2 N LYS A 117 ? N LYS A 117 O ALA A 105 ? O ALA A 105 AC 1 2 O LEU A 183 ? O LEU A 183 N MET A 159 ? N MET A 159 AD 1 2 N LYS A 199 ? N LYS A 199 O VAL A 8 ? O VAL A 8 AD 2 3 N PHE A 11 ? N PHE A 11 O GLY A 152 ? O GLY A 152 AD 3 4 N MET A 159 ? N MET A 159 O LEU A 183 ? O LEU A 183 AE 1 2 N LYS A 199 ? N LYS A 199 O VAL A 8 ? O VAL A 8 AE 2 3 N PHE A 11 ? N PHE A 11 O GLY A 152 ? O GLY A 152 AE 3 4 N TRP A 160 ? N TRP A 160 O THR A 34 ? O THR A 34 AE 4 5 N ALA A 39 ? N ALA A 39 O VAL A 92 ? O VAL A 92 AE 5 6 N GLU A 99 ? N GLU A 99 O ILE A 104 ? O ILE A 104 AE 6 7 N ILE A 109 ? N ILE A 109 O THR A 112 ? O THR A 112 AF 1 2 N LYS A 199 ? N LYS A 199 O VAL A 8 ? O VAL A 8 AF 2 3 N PHE A 11 ? N PHE A 11 O GLY A 152 ? O GLY A 152 AF 3 4 N TRP A 160 ? N TRP A 160 O THR A 34 ? O THR A 34 AF 4 5 N ALA A 39 ? N ALA A 39 O VAL A 92 ? O VAL A 92 AF 5 6 N GLU A 99 ? N GLU A 99 O ILE A 104 ? O ILE A 104 AF 6 7 N ALA A 105 ? N ALA A 105 O LYS A 117 ? O LYS A 117 AG 1 2 N SER A 82 ? N SER A 82 O TYR A 71 ? O TYR A 71 AG 2 3 N TYR A 74 ? N TYR A 74 O LEU A 62 ? O LEU A 62 AG 3 4 N LYS A 65 ? N LYS A 65 O TYR A 47 ? O TYR A 47 AG 4 5 N ASN A 53 ? N ASN A 53 O LYS A 130 ? O LYS A 130 AG 5 6 N LEU A 133 ? N LEU A 133 O VAL A 20 ? O VAL A 20 AG 6 7 N ASN A 21 ? N ASN A 21 O GLU A 191 ? O GLU A 191 BA 1 2 N THR B 112 ? N THR B 112 O ILE B 109 ? O ILE B 109 BB 1 2 N LYS B 117 ? N LYS B 117 O ALA B 105 ? O ALA B 105 BC 1 2 O LEU B 183 ? O LEU B 183 N MET B 159 ? N MET B 159 BD 1 2 N LYS B 199 ? N LYS B 199 O VAL B 8 ? O VAL B 8 BD 2 3 N PHE B 11 ? N PHE B 11 O GLY B 152 ? O GLY B 152 BD 3 4 N MET B 159 ? N MET B 159 O LEU B 183 ? O LEU B 183 BE 1 2 N LYS B 199 ? N LYS B 199 O VAL B 8 ? O VAL B 8 BE 2 3 N PHE B 11 ? N PHE B 11 O GLY B 152 ? O GLY B 152 BE 3 4 N TRP B 160 ? N TRP B 160 O THR B 34 ? O THR B 34 BE 4 5 N ALA B 39 ? N ALA B 39 O VAL B 92 ? O VAL B 92 BE 5 6 N GLU B 99 ? N GLU B 99 O ILE B 104 ? O ILE B 104 BE 6 7 N ILE B 109 ? N ILE B 109 O THR B 112 ? O THR B 112 BF 1 2 N LYS B 199 ? N LYS B 199 O VAL B 8 ? O VAL B 8 BF 2 3 N PHE B 11 ? N PHE B 11 O GLY B 152 ? O GLY B 152 BF 3 4 N TRP B 160 ? N TRP B 160 O THR B 34 ? O THR B 34 BF 4 5 N ALA B 39 ? N ALA B 39 O VAL B 92 ? O VAL B 92 BF 5 6 N GLU B 99 ? N GLU B 99 O ILE B 104 ? O ILE B 104 BF 6 7 N ALA B 105 ? N ALA B 105 O LYS B 117 ? O LYS B 117 BG 1 2 N SER B 82 ? N SER B 82 O TYR B 71 ? O TYR B 71 BG 2 3 N TYR B 74 ? N TYR B 74 O LEU B 62 ? O LEU B 62 BG 3 4 N LYS B 65 ? N LYS B 65 O TYR B 47 ? O TYR B 47 BG 4 5 N ASN B 53 ? N ASN B 53 O LYS B 130 ? O LYS B 130 BG 5 6 N LEU B 133 ? N LEU B 133 O VAL B 20 ? O VAL B 20 BG 6 7 N ILE B 23 ? N ILE B 23 O ASN B 189 ? O ASN B 189 CA 1 2 N THR C 112 ? N THR C 112 O ILE C 109 ? O ILE C 109 CB 1 2 N LYS C 117 ? N LYS C 117 O ALA C 105 ? O ALA C 105 CC 1 2 O LEU C 183 ? O LEU C 183 N MET C 159 ? N MET C 159 CD 1 2 N LYS C 199 ? N LYS C 199 O VAL C 8 ? O VAL C 8 CD 2 3 N PHE C 11 ? N PHE C 11 O GLY C 152 ? O GLY C 152 CD 3 4 N MET C 159 ? N MET C 159 O LEU C 183 ? O LEU C 183 CE 1 2 N LYS C 199 ? N LYS C 199 O VAL C 8 ? O VAL C 8 CE 2 3 N PHE C 11 ? N PHE C 11 O GLY C 152 ? O GLY C 152 CE 3 4 N TRP C 160 ? N TRP C 160 O THR C 34 ? O THR C 34 CE 4 5 N ALA C 39 ? N ALA C 39 O VAL C 92 ? O VAL C 92 CE 5 6 N GLU C 99 ? N GLU C 99 O ILE C 104 ? O ILE C 104 CE 6 7 N ILE C 109 ? N ILE C 109 O THR C 112 ? O THR C 112 CF 1 2 N LYS C 199 ? N LYS C 199 O VAL C 8 ? O VAL C 8 CF 2 3 N PHE C 11 ? N PHE C 11 O GLY C 152 ? O GLY C 152 CF 3 4 N TRP C 160 ? N TRP C 160 O THR C 34 ? O THR C 34 CF 4 5 N ALA C 39 ? N ALA C 39 O VAL C 92 ? O VAL C 92 CF 5 6 N GLU C 99 ? N GLU C 99 O ILE C 104 ? O ILE C 104 CF 6 7 N ALA C 105 ? N ALA C 105 O LYS C 117 ? O LYS C 117 CG 1 2 N SER C 82 ? N SER C 82 O TYR C 71 ? O TYR C 71 CG 2 3 N TYR C 74 ? N TYR C 74 O LEU C 62 ? O LEU C 62 CG 3 4 N LYS C 65 ? N LYS C 65 O TYR C 47 ? O TYR C 47 CG 4 5 N ASN C 53 ? N ASN C 53 O LYS C 130 ? O LYS C 130 CG 5 6 N LEU C 133 ? N LEU C 133 O VAL C 20 ? O VAL C 20 CG 6 7 N ASN C 21 ? N ASN C 21 O GLU C 191 ? O GLU C 191 DA 1 2 N THR D 112 ? N THR D 112 O ILE D 109 ? O ILE D 109 DB 1 2 N LYS D 117 ? N LYS D 117 O ALA D 105 ? O ALA D 105 DC 1 2 O LEU D 183 ? O LEU D 183 N MET D 159 ? N MET D 159 DD 1 2 N LYS D 199 ? N LYS D 199 O VAL D 8 ? O VAL D 8 DD 2 3 N PHE D 11 ? N PHE D 11 O GLY D 152 ? O GLY D 152 DD 3 4 N MET D 159 ? N MET D 159 O LEU D 183 ? O LEU D 183 DE 1 2 N LYS D 199 ? N LYS D 199 O VAL D 8 ? O VAL D 8 DE 2 3 N PHE D 11 ? N PHE D 11 O GLY D 152 ? O GLY D 152 DE 3 4 N TRP D 160 ? N TRP D 160 O THR D 34 ? O THR D 34 DE 4 5 N ALA D 39 ? N ALA D 39 O VAL D 92 ? O VAL D 92 DE 5 6 N GLU D 99 ? N GLU D 99 O ILE D 104 ? O ILE D 104 DE 6 7 N ILE D 109 ? N ILE D 109 O THR D 112 ? O THR D 112 DF 1 2 N LYS D 199 ? N LYS D 199 O VAL D 8 ? O VAL D 8 DF 2 3 N PHE D 11 ? N PHE D 11 O GLY D 152 ? O GLY D 152 DF 3 4 N TRP D 160 ? N TRP D 160 O THR D 34 ? O THR D 34 DF 4 5 N ALA D 39 ? N ALA D 39 O VAL D 92 ? O VAL D 92 DF 5 6 N GLU D 99 ? N GLU D 99 O ILE D 104 ? O ILE D 104 DF 6 7 N ALA D 105 ? N ALA D 105 O LYS D 117 ? O LYS D 117 DG 1 2 N SER D 82 ? N SER D 82 O TYR D 71 ? O TYR D 71 DG 2 3 N TYR D 74 ? N TYR D 74 O LEU D 62 ? O LEU D 62 DG 3 4 N LYS D 65 ? N LYS D 65 O TYR D 47 ? O TYR D 47 DG 4 5 N ASN D 53 ? N ASN D 53 O LYS D 130 ? O LYS D 130 DG 5 6 N LEU D 133 ? N LEU D 133 O VAL D 20 ? O VAL D 20 DG 6 7 N ASN D 21 ? N ASN D 21 O GLU D 191 ? O GLU D 191 EA 1 2 N THR E 112 ? N THR E 112 O ILE E 109 ? O ILE E 109 EB 1 2 N LYS E 117 ? N LYS E 117 O ALA E 105 ? O ALA E 105 EC 1 2 O LEU E 183 ? O LEU E 183 N MET E 159 ? N MET E 159 ED 1 2 N LYS E 199 ? N LYS E 199 O VAL E 8 ? O VAL E 8 ED 2 3 N PHE E 11 ? N PHE E 11 O GLY E 152 ? O GLY E 152 ED 3 4 N MET E 159 ? N MET E 159 O LEU E 183 ? O LEU E 183 EE 1 2 N LYS E 199 ? N LYS E 199 O VAL E 8 ? O VAL E 8 EE 2 3 N PHE E 11 ? N PHE E 11 O GLY E 152 ? O GLY E 152 EE 3 4 N TRP E 160 ? N TRP E 160 O THR E 34 ? O THR E 34 EE 4 5 N ALA E 39 ? N ALA E 39 O VAL E 92 ? O VAL E 92 EE 5 6 N GLU E 99 ? N GLU E 99 O ILE E 104 ? O ILE E 104 EE 6 7 N ILE E 109 ? N ILE E 109 O THR E 112 ? O THR E 112 EF 1 2 N LYS E 199 ? N LYS E 199 O VAL E 8 ? O VAL E 8 EF 2 3 N PHE E 11 ? N PHE E 11 O GLY E 152 ? O GLY E 152 EF 3 4 N TRP E 160 ? N TRP E 160 O THR E 34 ? O THR E 34 EF 4 5 N ALA E 39 ? N ALA E 39 O VAL E 92 ? O VAL E 92 EF 5 6 N GLU E 99 ? N GLU E 99 O ILE E 104 ? O ILE E 104 EF 6 7 N ALA E 105 ? N ALA E 105 O LYS E 117 ? O LYS E 117 EG 1 2 N SER E 82 ? N SER E 82 O TYR E 71 ? O TYR E 71 EG 2 3 N TYR E 74 ? N TYR E 74 O LEU E 62 ? O LEU E 62 EG 3 4 N LYS E 65 ? N LYS E 65 O TYR E 47 ? O TYR E 47 EG 4 5 N ASN E 53 ? N ASN E 53 O LYS E 130 ? O LYS E 130 EG 5 6 N LEU E 133 ? N LEU E 133 O VAL E 20 ? O VAL E 20 EG 6 7 N ASN E 21 ? N ASN E 21 O GLU E 191 ? O GLU E 191 # 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 ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA A 206' AC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA A 207' AC3 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE N7P A 208' AC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA B 206' AC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA B 207' AC6 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE N7P B 208' AC7 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA C 206' AC8 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA C 207' AC9 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE N7P C 208' BC1 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA D 206' BC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA D 207' BC3 Software ? ? ? ? 13 'BINDING SITE FOR RESIDUE N7P D 208' BC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA E 206' BC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA E 207' BC6 Software ? ? ? ? 12 'BINDING SITE FOR RESIDUE N7P E 208' BC7 Software ? ? ? ? 4 'BINDING SITE FOR MONO-SACCHARIDE NAG A 205 BOUND TO ASN A 32' BC8 Software ? ? ? ? 5 'BINDING SITE FOR MONO-SACCHARIDE NAG B 205 BOUND TO ASN B 32' BC9 Software ? ? ? ? 4 'BINDING SITE FOR MONO-SACCHARIDE NAG C 205 BOUND TO ASN C 32' CC1 Software ? ? ? ? 5 'BINDING SITE FOR MONO-SACCHARIDE NAG D 205 BOUND TO ASN D 32' CC2 Software ? ? ? ? 8 'BINDING SITE FOR MONO-SACCHARIDE NAG E 205 BOUND TO ASN E 32' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 6 ASP A 58 ? ASP A 58 . ? 1_555 ? 2 AC1 6 ASN A 59 ? ASN A 59 . ? 1_555 ? 3 AC1 6 GLU A 136 ? GLU A 136 . ? 1_555 ? 4 AC1 6 GLN A 137 ? GLN A 137 . ? 1_555 ? 5 AC1 6 ASP A 138 ? ASP A 138 . ? 1_555 ? 6 AC1 6 N7P I . ? N7P A 208 . ? 1_555 ? 7 AC2 6 GLU A 136 ? GLU A 136 . ? 1_555 ? 8 AC2 6 ASP A 138 ? ASP A 138 . ? 1_555 ? 9 AC2 6 GLN A 148 ? GLN A 148 . ? 1_555 ? 10 AC2 6 N7P I . ? N7P A 208 . ? 1_555 ? 11 AC2 6 HOH Z . ? HOH A 2195 . ? 1_555 ? 12 AC2 6 HOH Z . ? HOH A 2196 . ? 1_555 ? 13 AC3 10 ASP A 58 ? ASP A 58 . ? 1_555 ? 14 AC3 10 ASN A 59 ? ASN A 59 . ? 1_555 ? 15 AC3 10 TYR A 64 ? TYR A 64 . ? 1_555 ? 16 AC3 10 TYR A 74 ? TYR A 74 . ? 1_555 ? 17 AC3 10 GLU A 136 ? GLU A 136 . ? 1_555 ? 18 AC3 10 ASP A 138 ? ASP A 138 . ? 1_555 ? 19 AC3 10 GLN A 148 ? GLN A 148 . ? 1_555 ? 20 AC3 10 CA G . ? CA A 206 . ? 1_555 ? 21 AC3 10 CA H . ? CA A 207 . ? 1_555 ? 22 AC3 10 HOH Z . ? HOH A 2106 . ? 1_555 ? 23 AC4 6 GLU B 136 ? GLU B 136 . ? 1_555 ? 24 AC4 6 ASP B 138 ? ASP B 138 . ? 1_555 ? 25 AC4 6 GLN B 148 ? GLN B 148 . ? 1_555 ? 26 AC4 6 N7P M . ? N7P B 208 . ? 1_555 ? 27 AC4 6 HOH AA . ? HOH B 2183 . ? 1_555 ? 28 AC4 6 HOH AA . ? HOH B 2186 . ? 1_555 ? 29 AC5 6 ASP B 58 ? ASP B 58 . ? 1_555 ? 30 AC5 6 ASN B 59 ? ASN B 59 . ? 1_555 ? 31 AC5 6 GLU B 136 ? GLU B 136 . ? 1_555 ? 32 AC5 6 GLN B 137 ? GLN B 137 . ? 1_555 ? 33 AC5 6 ASP B 138 ? ASP B 138 . ? 1_555 ? 34 AC5 6 N7P M . ? N7P B 208 . ? 1_555 ? 35 AC6 9 ASP B 58 ? ASP B 58 . ? 1_555 ? 36 AC6 9 ASN B 59 ? ASN B 59 . ? 1_555 ? 37 AC6 9 TYR B 64 ? TYR B 64 . ? 1_555 ? 38 AC6 9 TYR B 74 ? TYR B 74 . ? 1_555 ? 39 AC6 9 GLU B 136 ? GLU B 136 . ? 1_555 ? 40 AC6 9 ASP B 138 ? ASP B 138 . ? 1_555 ? 41 AC6 9 GLN B 148 ? GLN B 148 . ? 1_555 ? 42 AC6 9 CA K . ? CA B 206 . ? 1_555 ? 43 AC6 9 CA L . ? CA B 207 . ? 1_555 ? 44 AC7 6 ASP C 58 ? ASP C 58 . ? 1_555 ? 45 AC7 6 ASN C 59 ? ASN C 59 . ? 1_555 ? 46 AC7 6 GLU C 136 ? GLU C 136 . ? 1_555 ? 47 AC7 6 GLN C 137 ? GLN C 137 . ? 1_555 ? 48 AC7 6 ASP C 138 ? ASP C 138 . ? 1_555 ? 49 AC7 6 N7P Q . ? N7P C 208 . ? 1_555 ? 50 AC8 6 GLU C 136 ? GLU C 136 . ? 1_555 ? 51 AC8 6 ASP C 138 ? ASP C 138 . ? 1_555 ? 52 AC8 6 GLN C 148 ? GLN C 148 . ? 1_555 ? 53 AC8 6 N7P Q . ? N7P C 208 . ? 1_555 ? 54 AC8 6 HOH BA . ? HOH C 2188 . ? 1_555 ? 55 AC8 6 HOH BA . ? HOH C 2192 . ? 1_555 ? 56 AC9 8 ASP C 58 ? ASP C 58 . ? 1_555 ? 57 AC9 8 ASN C 59 ? ASN C 59 . ? 1_555 ? 58 AC9 8 TYR C 74 ? TYR C 74 . ? 1_555 ? 59 AC9 8 GLU C 136 ? GLU C 136 . ? 1_555 ? 60 AC9 8 ASP C 138 ? ASP C 138 . ? 1_555 ? 61 AC9 8 GLN C 148 ? GLN C 148 . ? 1_555 ? 62 AC9 8 CA O . ? CA C 206 . ? 1_555 ? 63 AC9 8 CA P . ? CA C 207 . ? 1_555 ? 64 BC1 6 GLU D 136 ? GLU D 136 . ? 1_555 ? 65 BC1 6 ASP D 138 ? ASP D 138 . ? 1_555 ? 66 BC1 6 GLN D 148 ? GLN D 148 . ? 1_555 ? 67 BC1 6 N7P U . ? N7P D 208 . ? 1_555 ? 68 BC1 6 HOH CA . ? HOH D 2189 . ? 1_555 ? 69 BC1 6 HOH CA . ? HOH D 2190 . ? 1_555 ? 70 BC2 6 ASP D 58 ? ASP D 58 . ? 1_555 ? 71 BC2 6 ASN D 59 ? ASN D 59 . ? 1_555 ? 72 BC2 6 GLU D 136 ? GLU D 136 . ? 1_555 ? 73 BC2 6 GLN D 137 ? GLN D 137 . ? 1_555 ? 74 BC2 6 ASP D 138 ? ASP D 138 . ? 1_555 ? 75 BC2 6 N7P U . ? N7P D 208 . ? 1_555 ? 76 BC3 13 ASP D 58 ? ASP D 58 . ? 1_555 ? 77 BC3 13 ASN D 59 ? ASN D 59 . ? 1_555 ? 78 BC3 13 TYR D 64 ? TYR D 64 . ? 1_555 ? 79 BC3 13 TYR D 74 ? TYR D 74 . ? 1_555 ? 80 BC3 13 GLU D 136 ? GLU D 136 . ? 1_555 ? 81 BC3 13 ASP D 138 ? ASP D 138 . ? 1_555 ? 82 BC3 13 GLN D 148 ? GLN D 148 . ? 1_555 ? 83 BC3 13 CA S . ? CA D 206 . ? 1_555 ? 84 BC3 13 CA T . ? CA D 207 . ? 1_555 ? 85 BC3 13 HOH CA . ? HOH D 2114 . ? 1_555 ? 86 BC3 13 HOH CA . ? HOH D 2116 . ? 1_555 ? 87 BC3 13 HOH CA . ? HOH D 2131 . ? 1_555 ? 88 BC3 13 HOH CA . ? HOH D 2201 . ? 1_555 ? 89 BC4 6 ASP E 58 ? ASP E 58 . ? 1_555 ? 90 BC4 6 ASN E 59 ? ASN E 59 . ? 1_555 ? 91 BC4 6 GLU E 136 ? GLU E 136 . ? 1_555 ? 92 BC4 6 GLN E 137 ? GLN E 137 . ? 1_555 ? 93 BC4 6 ASP E 138 ? ASP E 138 . ? 1_555 ? 94 BC4 6 N7P Y . ? N7P E 208 . ? 1_555 ? 95 BC5 6 GLU E 136 ? GLU E 136 . ? 1_555 ? 96 BC5 6 ASP E 138 ? ASP E 138 . ? 1_555 ? 97 BC5 6 GLN E 148 ? GLN E 148 . ? 1_555 ? 98 BC5 6 N7P Y . ? N7P E 208 . ? 1_555 ? 99 BC5 6 HOH DA . ? HOH E 2183 . ? 1_555 ? 100 BC5 6 HOH DA . ? HOH E 2185 . ? 1_555 ? 101 BC6 12 ASP E 58 ? ASP E 58 . ? 1_555 ? 102 BC6 12 ASN E 59 ? ASN E 59 . ? 1_555 ? 103 BC6 12 TYR E 64 ? TYR E 64 . ? 1_555 ? 104 BC6 12 TYR E 74 ? TYR E 74 . ? 1_555 ? 105 BC6 12 GLU E 136 ? GLU E 136 . ? 1_555 ? 106 BC6 12 ASP E 138 ? ASP E 138 . ? 1_555 ? 107 BC6 12 GLN E 148 ? GLN E 148 . ? 1_555 ? 108 BC6 12 CA W . ? CA E 206 . ? 1_555 ? 109 BC6 12 CA X . ? CA E 207 . ? 1_555 ? 110 BC6 12 HOH DA . ? HOH E 2112 . ? 1_555 ? 111 BC6 12 HOH DA . ? HOH E 2127 . ? 1_555 ? 112 BC6 12 HOH DA . ? HOH E 2246 . ? 1_555 ? 113 BC7 4 GLN A 31 ? GLN A 31 . ? 1_555 ? 114 BC7 4 ASN A 32 ? ASN A 32 . ? 1_555 ? 115 BC7 4 HOH Z . ? HOH A 2062 . ? 1_555 ? 116 BC7 4 HOH Z . ? HOH A 2257 . ? 1_555 ? 117 BC8 5 GLN B 31 ? GLN B 31 . ? 1_555 ? 118 BC8 5 ASN B 32 ? ASN B 32 . ? 1_555 ? 119 BC8 5 SER B 162 ? SER B 162 . ? 1_555 ? 120 BC8 5 VAL B 163 ? VAL B 163 . ? 1_555 ? 121 BC8 5 HOH AA . ? HOH B 2065 . ? 1_555 ? 122 BC9 4 GLN C 31 ? GLN C 31 . ? 1_555 ? 123 BC9 4 ASN C 32 ? ASN C 32 . ? 1_555 ? 124 BC9 4 HOH BA . ? HOH C 2058 . ? 1_555 ? 125 BC9 4 HOH BA . ? HOH C 2263 . ? 1_555 ? 126 CC1 5 GLN D 31 ? GLN D 31 . ? 1_555 ? 127 CC1 5 ASN D 32 ? ASN D 32 . ? 1_555 ? 128 CC1 5 HOH CA . ? HOH D 2068 . ? 1_555 ? 129 CC1 5 HOH CA . ? HOH D 2162 . ? 1_555 ? 130 CC1 5 HOH CA . ? HOH D 2261 . ? 1_555 ? 131 CC2 8 GLN E 31 ? GLN E 31 . ? 1_555 ? 132 CC2 8 ASN E 32 ? ASN E 32 . ? 1_555 ? 133 CC2 8 GLU E 99 ? GLU E 99 . ? 1_555 ? 134 CC2 8 HOH DA . ? HOH E 2064 . ? 1_555 ? 135 CC2 8 HOH DA . ? HOH E 2065 . ? 1_555 ? 136 CC2 8 HOH DA . ? HOH E 2207 . ? 1_555 ? 137 CC2 8 HOH DA . ? HOH E 2244 . ? 1_555 ? 138 CC2 8 HOH DA . ? HOH E 2245 . ? 1_555 ? # _database_PDB_matrix.entry_id 4AVS _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 4AVS _atom_sites.fract_transf_matrix[1][1] 0.010530 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.001287 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.014299 _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] 0.009843 _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 CA 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 . HIS A 1 1 ? -1.312 -7.020 68.249 1.00 33.30 ? 1 HIS A N 1 ATOM 2 C CA . HIS A 1 1 ? -0.408 -7.043 67.066 1.00 32.78 ? 1 HIS A CA 1 ATOM 3 C C . HIS A 1 1 ? -1.093 -7.775 65.929 1.00 29.22 ? 1 HIS A C 1 ATOM 4 O O . HIS A 1 1 ? -2.107 -8.453 66.122 1.00 30.26 ? 1 HIS A O 1 ATOM 5 C CB . HIS A 1 1 ? 0.913 -7.725 67.403 1.00 35.71 ? 1 HIS A CB 1 ATOM 6 C CG . HIS A 1 1 ? 1.590 -7.147 68.602 1.00 38.98 ? 1 HIS A CG 1 ATOM 7 N ND1 . HIS A 1 1 ? 1.230 -5.929 69.141 1.00 40.34 ? 1 HIS A ND1 1 ATOM 8 C CD2 . HIS A 1 1 ? 2.596 -7.620 69.375 1.00 40.28 ? 1 HIS A CD2 1 ATOM 9 C CE1 . HIS A 1 1 ? 1.987 -5.676 70.194 1.00 41.03 ? 1 HIS A CE1 1 ATOM 10 N NE2 . HIS A 1 1 ? 2.822 -6.686 70.359 1.00 41.15 ? 1 HIS A NE2 1 ATOM 11 N N . THR A 1 2 ? -0.504 -7.652 64.750 1.00 23.59 ? 2 THR A N 1 ATOM 12 C CA . THR A 1 2 ? -1.142 -8.059 63.511 1.00 20.43 ? 2 THR A CA 1 ATOM 13 C C . THR A 1 2 ? -0.155 -8.741 62.578 1.00 15.22 ? 2 THR A C 1 ATOM 14 O O . THR A 1 2 ? 0.970 -8.280 62.428 1.00 14.08 ? 2 THR A O 1 ATOM 15 C CB . THR A 1 2 ? -1.690 -6.814 62.799 1.00 23.25 ? 2 THR A CB 1 ATOM 16 O OG1 . THR A 1 2 ? -2.589 -6.135 63.681 1.00 25.86 ? 2 THR A OG1 1 ATOM 17 C CG2 . THR A 1 2 ? -2.406 -7.179 61.508 1.00 23.51 ? 2 THR A CG2 1 ATOM 18 N N . ASP A 1 3 ? -0.589 -9.818 61.940 1.00 13.34 ? 3 ASP A N 1 ATOM 19 C CA . ASP A 1 3 ? 0.178 -10.483 60.892 1.00 12.23 ? 3 ASP A CA 1 ATOM 20 C C . ASP A 1 3 ? -0.180 -9.828 59.563 1.00 10.84 ? 3 ASP A C 1 ATOM 21 O O . ASP A 1 3 ? -1.274 -10.024 59.020 1.00 11.82 ? 3 ASP A O 1 ATOM 22 C CB . ASP A 1 3 ? -0.153 -11.979 60.893 1.00 13.34 ? 3 ASP A CB 1 ATOM 23 C CG . ASP A 1 3 ? 0.670 -12.788 59.909 1.00 14.14 ? 3 ASP A CG 1 ATOM 24 O OD1 . ASP A 1 3 ? 1.441 -12.197 59.140 1.00 13.64 ? 3 ASP A OD1 1 ATOM 25 O OD2 . ASP A 1 3 ? 0.527 -14.054 59.901 1.00 15.89 ? 3 ASP A OD2 1 ATOM 26 N N . LEU A 1 4 ? 0.751 -9.016 59.058 1.00 8.96 ? 4 LEU A N 1 ATOM 27 C CA . LEU A 1 4 ? 0.548 -8.326 57.787 1.00 8.51 ? 4 LEU A CA 1 ATOM 28 C C . LEU A 1 4 ? 1.115 -9.107 56.616 1.00 8.54 ? 4 LEU A C 1 ATOM 29 O O . LEU A 1 4 ? 1.278 -8.541 55.536 1.00 8.42 ? 4 LEU A O 1 ATOM 30 C CB . LEU A 1 4 ? 1.156 -6.923 57.853 1.00 8.90 ? 4 LEU A CB 1 ATOM 31 C CG . LEU A 1 4 ? 0.403 -5.954 58.762 1.00 10.65 ? 4 LEU A CG 1 ATOM 32 C CD1 . LEU A 1 4 ? 1.096 -4.600 58.774 1.00 12.70 ? 4 LEU A CD1 1 ATOM 33 C CD2 . LEU A 1 4 ? -1.039 -5.786 58.338 1.00 12.49 ? 4 LEU A CD2 1 ATOM 34 N N . SER A 1 5 ? 1.393 -10.400 56.802 1.00 10.13 ? 5 SER A N 1 ATOM 35 C CA . SER A 1 5 ? 1.817 -11.246 55.684 1.00 10.61 ? 5 SER A CA 1 ATOM 36 C C . SER A 1 5 ? 0.919 -11.054 54.470 1.00 10.31 ? 5 SER A C 1 ATOM 37 O O . SER A 1 5 ? -0.297 -11.123 54.572 1.00 11.32 ? 5 SER A O 1 ATOM 38 C CB . SER A 1 5 ? 1.774 -12.732 56.044 1.00 12.20 ? 5 SER A CB 1 ATOM 39 O OG . SER A 1 5 ? 2.717 -13.047 57.030 1.00 13.33 ? 5 SER A OG 1 ATOM 40 N N . GLY A 1 6 ? 1.528 -10.819 53.324 1.00 10.28 ? 6 GLY A N 1 ATOM 41 C CA . GLY A 1 6 ? 0.787 -10.706 52.095 1.00 9.33 ? 6 GLY A CA 1 ATOM 42 C C . GLY A 1 6 ? 0.177 -9.339 51.880 1.00 8.84 ? 6 GLY A C 1 ATOM 43 O O . GLY A 1 6 ? -0.553 -9.169 50.930 1.00 10.07 ? 6 GLY A O 1 ATOM 44 N N . LYS A 1 7 ? 0.469 -8.384 52.766 1.00 8.59 ? 7 LYS A N 1 ATOM 45 C CA . LYS A 1 7 ? -0.111 -7.044 52.710 1.00 8.45 ? 7 LYS A CA 1 ATOM 46 C C . LYS A 1 7 ? 0.968 -5.966 52.735 1.00 7.48 ? 7 LYS A C 1 ATOM 47 O O . LYS A 1 7 ? 2.099 -6.196 53.120 1.00 8.24 ? 7 LYS A O 1 ATOM 48 C CB . LYS A 1 7 ? -1.071 -6.839 53.889 1.00 10.56 ? 7 LYS A CB 1 ATOM 49 C CG . LYS A 1 7 ? -2.235 -7.832 53.866 1.00 13.85 ? 7 LYS A CG 1 ATOM 50 C CD . LYS A 1 7 ? -3.165 -7.681 55.058 1.00 17.90 ? 7 LYS A CD 1 ATOM 51 C CE . LYS A 1 7 ? -4.234 -8.769 55.042 1.00 21.60 ? 7 LYS A CE 1 ATOM 52 N NZ . LYS A 1 7 ? -4.819 -8.944 53.688 1.00 24.93 ? 7 LYS A NZ 1 ATOM 53 N N . VAL A 1 8 ? 0.589 -4.785 52.290 1.00 7.06 ? 8 VAL A N 1 ATOM 54 C CA . VAL A 1 8 ? 1.435 -3.594 52.288 1.00 6.85 ? 8 VAL A CA 1 ATOM 55 C C . VAL A 1 8 ? 0.693 -2.401 52.874 1.00 6.39 ? 8 VAL A C 1 ATOM 56 O O . VAL A 1 8 ? -0.538 -2.357 52.893 1.00 6.74 ? 8 VAL A O 1 ATOM 57 C CB . VAL A 1 8 ? 1.863 -3.198 50.866 1.00 8.55 ? 8 VAL A CB 1 ATOM 58 C CG1 . VAL A 1 8 ? 2.759 -4.248 50.282 1.00 11.06 ? 8 VAL A CG1 1 ATOM 59 C CG2 . VAL A 1 8 ? 0.641 -2.939 49.956 1.00 8.46 ? 8 VAL A CG2 1 ATOM 60 N N . PHE A 1 9 ? 1.463 -1.427 53.349 1.00 5.60 ? 9 PHE A N 1 ATOM 61 C CA . PHE A 1 9 ? 0.930 -0.088 53.581 1.00 5.91 ? 9 PHE A CA 1 ATOM 62 C C . PHE A 1 9 ? 1.036 0.702 52.286 1.00 6.33 ? 9 PHE A C 1 ATOM 63 O O . PHE A 1 9 ? 2.111 0.751 51.663 1.00 6.63 ? 9 PHE A O 1 ATOM 64 C CB . PHE A 1 9 ? 1.733 0.677 54.643 1.00 6.30 ? 9 PHE A CB 1 ATOM 65 C CG . PHE A 1 9 ? 1.588 0.156 56.039 1.00 7.44 ? 9 PHE A CG 1 ATOM 66 C CD1 . PHE A 1 9 ? 0.349 0.081 56.650 1.00 9.65 ? 9 PHE A CD1 1 ATOM 67 C CD2 . PHE A 1 9 ? 2.698 -0.178 56.774 1.00 8.48 ? 9 PHE A CD2 1 ATOM 68 C CE1 . PHE A 1 9 ? 0.238 -0.375 57.969 1.00 10.46 ? 9 PHE A CE1 1 ATOM 69 C CE2 . PHE A 1 9 ? 2.587 -0.619 58.091 1.00 9.27 ? 9 PHE A CE2 1 ATOM 70 C CZ . PHE A 1 9 ? 1.363 -0.742 58.677 1.00 10.37 ? 9 PHE A CZ 1 ATOM 71 N N . VAL A 1 10 ? -0.064 1.341 51.909 1.00 6.16 ? 10 VAL A N 1 ATOM 72 C CA . VAL A 1 10 ? -0.102 2.229 50.744 1.00 6.45 ? 10 VAL A CA 1 ATOM 73 C C . VAL A 1 10 ? -0.215 3.647 51.241 1.00 5.94 ? 10 VAL A C 1 ATOM 74 O O . VAL A 1 10 ? -1.166 3.997 51.939 1.00 6.73 ? 10 VAL A O 1 ATOM 75 C CB . VAL A 1 10 ? -1.290 1.938 49.795 1.00 7.81 ? 10 VAL A CB 1 ATOM 76 C CG1 . VAL A 1 10 ? -1.183 2.777 48.548 1.00 8.39 ? 10 VAL A CG1 1 ATOM 77 C CG2 . VAL A 1 10 ? -1.366 0.445 49.457 1.00 9.07 ? 10 VAL A CG2 1 ATOM 78 N N . PHE A 1 11 ? 0.786 4.452 50.904 1.00 6.75 ? 11 PHE A N 1 ATOM 79 C CA . PHE A 1 11 ? 0.775 5.891 51.126 1.00 7.09 ? 11 PHE A CA 1 ATOM 80 C C . PHE A 1 11 ? 0.389 6.501 49.796 1.00 6.22 ? 11 PHE A C 1 ATOM 81 O O . PHE A 1 11 ? 1.242 6.638 48.933 1.00 7.24 ? 11 PHE A O 1 ATOM 82 C CB . PHE A 1 11 ? 2.177 6.336 51.571 1.00 7.83 ? 11 PHE A CB 1 ATOM 83 C CG . PHE A 1 11 ? 2.640 5.651 52.830 1.00 8.02 ? 11 PHE A CG 1 ATOM 84 C CD1 . PHE A 1 11 ? 3.266 4.404 52.778 1.00 8.70 ? 11 PHE A CD1 1 ATOM 85 C CD2 . PHE A 1 11 ? 2.423 6.232 54.073 1.00 9.08 ? 11 PHE A CD2 1 ATOM 86 C CE1 . PHE A 1 11 ? 3.671 3.754 53.919 1.00 10.16 ? 11 PHE A CE1 1 ATOM 87 C CE2 . PHE A 1 11 ? 2.836 5.568 55.236 1.00 10.13 ? 11 PHE A CE2 1 ATOM 88 C CZ . PHE A 1 11 ? 3.462 4.332 55.143 1.00 10.67 ? 11 PHE A CZ 1 ATOM 89 N N . PRO A 1 12 ? -0.905 6.827 49.595 1.00 7.50 ? 12 PRO A N 1 ATOM 90 C CA . PRO A 1 12 ? -1.376 7.005 48.221 1.00 7.69 ? 12 PRO A CA 1 ATOM 91 C C . PRO A 1 12 ? -1.185 8.391 47.639 1.00 8.14 ? 12 PRO A C 1 ATOM 92 O O . PRO A 1 12 ? -1.502 8.582 46.463 1.00 8.44 ? 12 PRO A O 1 ATOM 93 C CB . PRO A 1 12 ? -2.884 6.664 48.328 1.00 8.43 ? 12 PRO A CB 1 ATOM 94 C CG . PRO A 1 12 ? -3.075 6.062 49.711 1.00 8.46 ? 12 PRO A CG 1 ATOM 95 C CD . PRO A 1 12 ? -2.047 6.767 50.528 1.00 7.90 ? 12 PRO A CD 1 ATOM 96 N N . ARG A 1 13 ? -0.656 9.330 48.419 1.00 8.88 ? 13 ARG A N 1 ATOM 97 C CA . ARG A 1 13 ? -0.512 10.711 47.967 1.00 10.19 ? 13 ARG A CA 1 ATOM 98 C C . ARG A 1 13 ? 0.606 11.411 48.710 1.00 10.52 ? 13 ARG A C 1 ATOM 99 O O . ARG A 1 13 ? 1.004 11.013 49.803 1.00 11.35 ? 13 ARG A O 1 ATOM 100 C CB . ARG A 1 13 ? -1.801 11.508 48.176 1.00 10.86 ? 13 ARG A CB 1 ATOM 101 C CG . ARG A 1 13 ? -2.117 11.640 49.656 1.00 13.07 ? 13 ARG A CG 1 ATOM 102 C CD . ARG A 1 13 ? -3.272 12.540 49.998 1.00 14.36 ? 13 ARG A CD 1 ATOM 103 N NE . ARG A 1 13 ? -3.405 12.597 51.448 1.00 15.15 ? 13 ARG A NE 1 ATOM 104 C CZ . ARG A 1 13 ? -4.412 13.167 52.090 1.00 17.44 ? 13 ARG A CZ 1 ATOM 105 N NH1 . ARG A 1 13 ? -5.401 13.739 51.415 1.00 18.85 ? 13 ARG A NH1 1 ATOM 106 N NH2 . ARG A 1 13 ? -4.420 13.151 53.405 1.00 17.54 ? 13 ARG A NH2 1 ATOM 107 N N . GLU A 1 14 ? 1.105 12.479 48.111 1.00 10.81 ? 14 GLU A N 1 ATOM 108 C CA . GLU A 1 14 ? 2.039 13.351 48.800 1.00 11.68 ? 14 GLU A CA 1 ATOM 109 C C . GLU A 1 14 ? 1.285 14.173 49.853 1.00 11.99 ? 14 GLU A C 1 ATOM 110 O O . GLU A 1 14 ? 0.196 14.692 49.599 1.00 13.25 ? 14 GLU A O 1 ATOM 111 C CB . GLU A 1 14 ? 2.722 14.247 47.774 1.00 14.65 ? 14 GLU A CB 1 ATOM 112 C CG . GLU A 1 14 ? 3.704 15.239 48.332 1.00 17.52 ? 14 GLU A CG 1 ATOM 113 C CD . GLU A 1 14 ? 4.482 15.914 47.233 1.00 20.75 ? 14 GLU A CD 1 ATOM 114 O OE1 . GLU A 1 14 ? 5.391 15.273 46.663 1.00 20.76 ? 14 GLU A OE1 1 ATOM 115 O OE2 . GLU A 1 14 ? 4.138 17.072 46.896 1.00 23.78 ? 14 GLU A OE2 1 ATOM 116 N N . SER A 1 15 ? 1.878 14.304 51.033 1.00 11.33 ? 15 SER A N 1 ATOM 117 C CA . SER A 1 15 ? 1.236 15.008 52.132 1.00 12.57 ? 15 SER A CA 1 ATOM 118 C C . SER A 1 15 ? 2.273 15.292 53.187 1.00 12.30 ? 15 SER A C 1 ATOM 119 O O . SER A 1 15 ? 3.379 14.778 53.128 1.00 11.84 ? 15 SER A O 1 ATOM 120 C CB . SER A 1 15 ? 0.156 14.142 52.764 1.00 13.94 ? 15 SER A CB 1 ATOM 121 O OG . SER A 1 15 ? 0.721 13.163 53.632 1.00 14.55 ? 15 SER A OG 1 ATOM 122 N N . VAL A 1 16 ? 1.892 16.075 54.183 1.00 13.87 ? 16 VAL A N 1 ATOM 123 C CA . VAL A 1 16 ? 2.704 16.232 55.369 1.00 16.22 ? 16 VAL A CA 1 ATOM 124 C C . VAL A 1 16 ? 2.000 15.556 56.555 1.00 17.99 ? 16 VAL A C 1 ATOM 125 O O . VAL A 1 16 ? 2.459 15.660 57.687 1.00 21.09 ? 16 VAL A O 1 ATOM 126 C CB . VAL A 1 16 ? 3.003 17.733 55.637 1.00 18.02 ? 16 VAL A CB 1 ATOM 127 C CG1 . VAL A 1 16 ? 1.749 18.459 56.084 1.00 17.37 ? 16 VAL A CG1 1 ATOM 128 C CG2 . VAL A 1 16 ? 4.140 17.905 56.636 1.00 20.38 ? 16 VAL A CG2 1 ATOM 129 N N . THR A 1 17 ? 0.896 14.852 56.292 1.00 17.40 ? 17 THR A N 1 ATOM 130 C CA . THR A 1 17 ? 0.049 14.278 57.340 1.00 18.30 ? 17 THR A CA 1 ATOM 131 C C . THR A 1 17 ? 0.092 12.745 57.427 1.00 15.88 ? 17 THR A C 1 ATOM 132 O O . THR A 1 17 ? -0.049 12.178 58.504 1.00 17.43 ? 17 THR A O 1 ATOM 133 C CB . THR A 1 17 ? -1.432 14.652 57.097 1.00 20.49 ? 17 THR A CB 1 ATOM 134 O OG1 . THR A 1 17 ? -1.816 14.273 55.760 1.00 20.71 ? 17 THR A OG1 1 ATOM 135 C CG2 . THR A 1 17 ? -1.654 16.152 57.276 1.00 22.67 ? 17 THR A CG2 1 ATOM 136 N N . ASP A 1 18 ? 0.249 12.069 56.301 1.00 12.65 ? 18 ASP A N 1 ATOM 137 C CA . ASP A 1 18 ? -0.015 10.634 56.250 1.00 11.67 ? 18 ASP A CA 1 ATOM 138 C C . ASP A 1 18 ? 1.209 9.871 56.730 1.00 10.60 ? 18 ASP A C 1 ATOM 139 O O . ASP A 1 18 ? 2.302 10.074 56.208 1.00 10.66 ? 18 ASP A O 1 ATOM 140 C CB . ASP A 1 18 ? -0.347 10.185 54.817 1.00 11.95 ? 18 ASP A CB 1 ATOM 141 C CG . ASP A 1 18 ? -1.436 11.018 54.166 1.00 12.86 ? 18 ASP A CG 1 ATOM 142 O OD1 . ASP A 1 18 ? -2.270 11.586 54.897 1.00 13.09 ? 18 ASP A OD1 1 ATOM 143 O OD2 . ASP A 1 18 ? -1.478 11.095 52.915 1.00 13.63 ? 18 ASP A OD2 1 ATOM 144 N N . HIS A 1 19 ? 1.039 9.009 57.722 1.00 9.64 ? 19 HIS A N 1 ATOM 145 C CA . HIS A 1 19 ? 2.175 8.257 58.261 1.00 9.26 ? 19 HIS A CA 1 ATOM 146 C C . HIS A 1 19 ? 1.727 7.052 59.070 1.00 9.42 ? 19 HIS A C 1 ATOM 147 O O . HIS A 1 19 ? 0.565 6.943 59.449 1.00 10.10 ? 19 HIS A O 1 ATOM 148 C CB . HIS A 1 19 ? 3.122 9.159 59.084 1.00 10.65 ? 19 HIS A CB 1 ATOM 149 C CG . HIS A 1 19 ? 2.534 9.703 60.345 1.00 12.47 ? 19 HIS A CG 1 ATOM 150 N ND1 . HIS A 1 19 ? 1.636 10.747 60.356 1.00 14.06 ? 19 HIS A ND1 1 ATOM 151 C CD2 . HIS A 1 19 ? 2.773 9.401 61.643 1.00 13.78 ? 19 HIS A CD2 1 ATOM 152 C CE1 . HIS A 1 19 ? 1.320 11.042 61.605 1.00 15.02 ? 19 HIS A CE1 1 ATOM 153 N NE2 . HIS A 1 19 ? 1.992 10.235 62.406 1.00 15.26 ? 19 HIS A NE2 1 ATOM 154 N N . VAL A 1 20 ? 2.659 6.140 59.308 1.00 8.34 ? 20 VAL A N 1 ATOM 155 C CA . VAL A 1 20 ? 2.442 5.033 60.227 1.00 8.45 ? 20 VAL A CA 1 ATOM 156 C C . VAL A 1 20 ? 3.487 5.088 61.329 1.00 8.95 ? 20 VAL A C 1 ATOM 157 O O . VAL A 1 20 ? 4.677 5.221 61.055 1.00 9.38 ? 20 VAL A O 1 ATOM 158 C CB . VAL A 1 20 ? 2.553 3.672 59.504 1.00 9.36 ? 20 VAL A CB 1 ATOM 159 C CG1 . VAL A 1 20 ? 2.393 2.507 60.482 1.00 11.25 ? 20 VAL A CG1 1 ATOM 160 C CG2 . VAL A 1 20 ? 1.542 3.581 58.355 1.00 9.67 ? 20 VAL A CG2 1 ATOM 161 N N . ASN A 1 21 ? 3.033 4.996 62.577 1.00 9.76 ? 21 ASN A N 1 ATOM 162 C CA . ASN A 1 21 ? 3.928 4.827 63.716 1.00 11.19 ? 21 ASN A CA 1 ATOM 163 C C . ASN A 1 21 ? 4.121 3.334 63.979 1.00 11.33 ? 21 ASN A C 1 ATOM 164 O O . ASN A 1 21 ? 3.153 2.577 64.030 1.00 11.71 ? 21 ASN A O 1 ATOM 165 C CB . ASN A 1 21 ? 3.339 5.490 64.964 1.00 13.07 ? 21 ASN A CB 1 ATOM 166 C CG . ASN A 1 21 ? 3.117 6.979 64.795 1.00 15.97 ? 21 ASN A CG 1 ATOM 167 O OD1 . ASN A 1 21 ? 3.928 7.692 64.195 1.00 16.39 ? 21 ASN A OD1 1 ATOM 168 N ND2 . ASN A 1 21 ? 2.023 7.468 65.360 1.00 18.10 ? 21 ASN A ND2 1 ATOM 169 N N . LEU A 1 22 ? 5.374 2.917 64.113 1.00 11.43 ? 22 LEU A N 1 ATOM 170 C CA . LEU A 1 22 ? 5.710 1.529 64.430 1.00 11.57 ? 22 LEU A CA 1 ATOM 171 C C . LEU A 1 22 ? 6.141 1.461 65.870 1.00 13.34 ? 22 LEU A C 1 ATOM 172 O O . LEU A 1 22 ? 6.977 2.240 66.304 1.00 14.96 ? 22 LEU A O 1 ATOM 173 C CB . LEU A 1 22 ? 6.837 1.027 63.516 1.00 11.48 ? 22 LEU A CB 1 ATOM 174 C CG . LEU A 1 22 ? 6.517 1.049 62.027 1.00 11.68 ? 22 LEU A CG 1 ATOM 175 C CD1 . LEU A 1 22 ? 7.707 0.523 61.207 1.00 12.01 ? 22 LEU A CD1 1 ATOM 176 C CD2 . LEU A 1 22 ? 5.256 0.244 61.714 1.00 12.81 ? 22 LEU A CD2 1 ATOM 177 N N . ILE A 1 23 ? 5.548 0.537 66.615 1.00 14.30 ? 23 ILE A N 1 ATOM 178 C CA . ILE A 1 23 ? 5.759 0.442 68.053 1.00 16.98 ? 23 ILE A CA 1 ATOM 179 C C . ILE A 1 23 ? 6.607 -0.765 68.399 1.00 17.81 ? 23 ILE A C 1 ATOM 180 O O . ILE A 1 23 ? 6.281 -1.892 68.035 1.00 17.51 ? 23 ILE A O 1 ATOM 181 C CB . ILE A 1 23 ? 4.400 0.354 68.766 1.00 19.21 ? 23 ILE A CB 1 ATOM 182 C CG1 . ILE A 1 23 ? 3.527 1.555 68.374 1.00 21.17 ? 23 ILE A CG1 1 ATOM 183 C CG2 . ILE A 1 23 ? 4.581 0.270 70.283 1.00 19.99 ? 23 ILE A CG2 1 ATOM 184 C CD1 . ILE A 1 23 ? 2.045 1.377 68.714 1.00 22.90 ? 23 ILE A CD1 1 ATOM 185 N N . THR A 1 24 ? 7.703 -0.531 69.112 1.00 20.37 ? 24 THR A N 1 ATOM 186 C CA . THR A 1 24 ? 8.563 -1.616 69.553 1.00 23.78 ? 24 THR A CA 1 ATOM 187 C C . THR A 1 24 ? 8.831 -1.405 71.033 1.00 27.92 ? 24 THR A C 1 ATOM 188 O O . THR A 1 24 ? 8.908 -0.268 71.484 1.00 28.26 ? 24 THR A O 1 ATOM 189 C CB . THR A 1 24 ? 9.891 -1.636 68.771 1.00 23.52 ? 24 THR A CB 1 ATOM 190 O OG1 . THR A 1 24 ? 10.720 -2.728 69.219 1.00 22.91 ? 24 THR A OG1 1 ATOM 191 C CG2 . THR A 1 24 ? 10.640 -0.318 68.949 1.00 24.25 ? 24 THR A CG2 1 ATOM 192 N N . PRO A 1 25 ? 8.969 -2.498 71.795 1.00 31.66 ? 25 PRO A N 1 ATOM 193 C CA . PRO A 1 25 ? 9.295 -2.405 73.221 1.00 34.00 ? 25 PRO A CA 1 ATOM 194 C C . PRO A 1 25 ? 10.805 -2.322 73.445 1.00 35.88 ? 25 PRO A C 1 ATOM 195 O O . PRO A 1 25 ? 11.332 -3.000 74.320 1.00 36.42 ? 25 PRO A O 1 ATOM 196 C CB . PRO A 1 25 ? 8.743 -3.717 73.774 1.00 33.80 ? 25 PRO A CB 1 ATOM 197 C CG . PRO A 1 25 ? 8.945 -4.685 72.650 1.00 33.36 ? 25 PRO A CG 1 ATOM 198 C CD . PRO A 1 25 ? 8.773 -3.896 71.371 1.00 32.77 ? 25 PRO A CD 1 ATOM 199 N N . LEU A 1 26 ? 11.490 -1.502 72.654 1.00 36.95 ? 26 LEU A N 1 ATOM 200 C CA . LEU A 1 26 ? 12.938 -1.411 72.731 1.00 37.86 ? 26 LEU A CA 1 ATOM 201 C C . LEU A 1 26 ? 13.359 -0.327 73.713 1.00 38.18 ? 26 LEU A C 1 ATOM 202 O O . LEU A 1 26 ? 13.149 0.860 73.472 1.00 38.48 ? 26 LEU A O 1 ATOM 203 C CB . LEU A 1 26 ? 13.517 -1.123 71.344 1.00 38.37 ? 26 LEU A CB 1 ATOM 204 C CG . LEU A 1 26 ? 15.041 -1.122 71.215 1.00 38.93 ? 26 LEU A CG 1 ATOM 205 C CD1 . LEU A 1 26 ? 15.621 -2.502 71.492 1.00 39.03 ? 26 LEU A CD1 1 ATOM 206 C CD2 . LEU A 1 26 ? 15.425 -0.648 69.834 1.00 39.11 ? 26 LEU A CD2 1 ATOM 207 N N . GLU A 1 27 ? 13.957 -0.735 74.826 1.00 38.07 ? 27 GLU A N 1 ATOM 208 C CA . GLU A 1 27 ? 14.368 0.223 75.845 1.00 38.26 ? 27 GLU A CA 1 ATOM 209 C C . GLU A 1 27 ? 15.876 0.245 76.070 1.00 36.14 ? 27 GLU A C 1 ATOM 210 O O . GLU A 1 27 ? 16.379 1.063 76.841 1.00 36.83 ? 27 GLU A O 1 ATOM 211 C CB . GLU A 1 27 ? 13.628 -0.044 77.162 1.00 40.54 ? 27 GLU A CB 1 ATOM 212 C CG . GLU A 1 27 ? 12.280 0.692 77.256 1.00 42.49 ? 27 GLU A CG 1 ATOM 213 C CD . GLU A 1 27 ? 11.633 0.599 78.628 1.00 44.23 ? 27 GLU A CD 1 ATOM 214 O OE1 . GLU A 1 27 ? 10.876 -0.370 78.876 1.00 44.52 ? 27 GLU A OE1 1 ATOM 215 O OE2 . GLU A 1 27 ? 11.867 1.515 79.454 1.00 44.93 ? 27 GLU A OE2 1 ATOM 216 N N . LYS A 1 28 ? 16.601 -0.630 75.381 1.00 33.15 ? 28 LYS A N 1 ATOM 217 C CA . LYS A 1 28 ? 18.047 -0.653 75.507 1.00 30.86 ? 28 LYS A CA 1 ATOM 218 C C . LYS A 1 28 ? 18.674 -0.121 74.233 1.00 26.87 ? 28 LYS A C 1 ATOM 219 O O . LYS A 1 28 ? 18.242 -0.460 73.132 1.00 26.65 ? 28 LYS A O 1 ATOM 220 C CB . LYS A 1 28 ? 18.548 -2.067 75.789 1.00 32.88 ? 28 LYS A CB 1 ATOM 221 C CG . LYS A 1 28 ? 18.174 -2.559 77.179 1.00 35.28 ? 28 LYS A CG 1 ATOM 222 C CD . LYS A 1 28 ? 18.688 -3.967 77.441 1.00 37.04 ? 28 LYS A CD 1 ATOM 223 C CE . LYS A 1 28 ? 18.433 -4.400 78.883 1.00 38.27 ? 28 LYS A CE 1 ATOM 224 N NZ . LYS A 1 28 ? 17.871 -3.313 79.744 1.00 39.18 ? 28 LYS A NZ 1 ATOM 225 N N . PRO A 1 29 ? 19.694 0.721 74.383 1.00 23.90 ? 29 PRO A N 1 ATOM 226 C CA . PRO A 1 29 ? 20.394 1.235 73.197 1.00 21.83 ? 29 PRO A CA 1 ATOM 227 C C . PRO A 1 29 ? 20.936 0.114 72.311 1.00 20.16 ? 29 PRO A C 1 ATOM 228 O O . PRO A 1 29 ? 21.355 -0.940 72.796 1.00 21.24 ? 29 PRO A O 1 ATOM 229 C CB . PRO A 1 29 ? 21.535 2.061 73.801 1.00 22.83 ? 29 PRO A CB 1 ATOM 230 C CG . PRO A 1 29 ? 21.050 2.428 75.174 1.00 24.27 ? 29 PRO A CG 1 ATOM 231 C CD . PRO A 1 29 ? 20.257 1.256 75.635 1.00 24.42 ? 29 PRO A CD 1 ATOM 232 N N . LEU A 1 30 ? 20.911 0.359 71.005 1.00 17.13 ? 30 LEU A N 1 ATOM 233 C CA . LEU A 1 30 ? 21.299 -0.639 70.014 1.00 16.33 ? 30 LEU A CA 1 ATOM 234 C C . LEU A 1 30 ? 22.754 -0.525 69.631 1.00 13.84 ? 30 LEU A C 1 ATOM 235 O O . LEU A 1 30 ? 23.216 0.545 69.264 1.00 13.93 ? 30 LEU A O 1 ATOM 236 C CB . LEU A 1 30 ? 20.506 -0.430 68.728 1.00 18.85 ? 30 LEU A CB 1 ATOM 237 C CG . LEU A 1 30 ? 19.027 -0.758 68.794 1.00 21.25 ? 30 LEU A CG 1 ATOM 238 C CD1 . LEU A 1 30 ? 18.389 -0.437 67.440 1.00 21.81 ? 30 LEU A CD1 1 ATOM 239 C CD2 . LEU A 1 30 ? 18.845 -2.220 69.161 1.00 21.65 ? 30 LEU A CD2 1 ATOM 240 N N . GLN A 1 31 ? 23.441 -1.651 69.657 1.00 12.77 ? 31 GLN A N 1 ATOM 241 C CA . GLN A 1 31 ? 24.820 -1.735 69.203 1.00 13.67 ? 31 GLN A CA 1 ATOM 242 C C . GLN A 1 31 ? 24.885 -2.357 67.806 1.00 10.17 ? 31 GLN A C 1 ATOM 243 O O . GLN A 1 31 ? 25.802 -2.085 67.045 1.00 11.55 ? 31 GLN A O 1 ATOM 244 C CB . GLN A 1 31 ? 25.618 -2.597 70.180 1.00 19.23 ? 31 GLN A CB 1 ATOM 245 C CG . GLN A 1 31 ? 27.128 -2.471 70.083 1.00 24.93 ? 31 GLN A CG 1 ATOM 246 C CD . GLN A 1 31 ? 27.879 -3.443 71.004 1.00 28.91 ? 31 GLN A CD 1 ATOM 247 O OE1 . GLN A 1 31 ? 27.401 -3.787 72.097 1.00 30.79 ? 31 GLN A OE1 1 ATOM 248 N NE2 . GLN A 1 31 ? 29.057 -3.897 70.554 1.00 29.45 ? 31 GLN A NE2 1 ATOM 249 N N . ASN A 1 32 ? 23.910 -3.190 67.479 1.00 8.35 ? 32 ASN A N 1 ATOM 250 C CA . ASN A 1 32 ? 23.861 -3.927 66.221 1.00 8.31 ? 32 ASN A CA 1 ATOM 251 C C . ASN A 1 32 ? 22.426 -3.957 65.750 1.00 7.02 ? 32 ASN A C 1 ATOM 252 O O . ASN A 1 32 ? 21.502 -4.119 66.560 1.00 9.17 ? 32 ASN A O 1 ATOM 253 C CB . ASN A 1 32 ? 24.247 -5.407 66.404 1.00 9.54 ? 32 ASN A CB 1 ATOM 254 C CG . ASN A 1 32 ? 25.628 -5.622 67.021 1.00 13.59 ? 32 ASN A CG 1 ATOM 255 O OD1 . ASN A 1 32 ? 26.610 -5.033 66.585 1.00 13.70 ? 32 ASN A OD1 1 ATOM 256 N ND2 . ASN A 1 32 ? 25.698 -6.502 68.021 1.00 19.56 ? 32 ASN A ND2 1 ATOM 257 N N . PHE A 1 33 ? 22.185 -3.857 64.450 1.00 6.24 ? 33 PHE A N 1 ATOM 258 C CA . PHE A 1 33 ? 20.845 -4.100 63.928 1.00 6.39 ? 33 PHE A CA 1 ATOM 259 C C . PHE A 1 33 ? 20.903 -4.466 62.468 1.00 4.56 ? 33 PHE A C 1 ATOM 260 O O . PHE A 1 33 ? 21.895 -4.179 61.787 1.00 5.11 ? 33 PHE A O 1 ATOM 261 C CB . PHE A 1 33 ? 19.902 -2.896 64.112 1.00 7.42 ? 33 PHE A CB 1 ATOM 262 C CG . PHE A 1 33 ? 20.220 -1.742 63.236 1.00 7.55 ? 33 PHE A CG 1 ATOM 263 C CD1 . PHE A 1 33 ? 19.692 -1.650 61.953 1.00 8.91 ? 33 PHE A CD1 1 ATOM 264 C CD2 . PHE A 1 33 ? 21.065 -0.744 63.671 1.00 7.86 ? 33 PHE A CD2 1 ATOM 265 C CE1 . PHE A 1 33 ? 20.017 -0.589 61.130 1.00 9.09 ? 33 PHE A CE1 1 ATOM 266 C CE2 . PHE A 1 33 ? 21.396 0.324 62.841 1.00 8.09 ? 33 PHE A CE2 1 ATOM 267 C CZ . PHE A 1 33 ? 20.861 0.400 61.572 1.00 8.98 ? 33 PHE A CZ 1 ATOM 268 N N . THR A 1 34 ? 19.829 -5.103 62.011 1.00 4.76 ? 34 THR A N 1 ATOM 269 C CA . THR A 1 34 ? 19.530 -5.279 60.600 1.00 4.84 ? 34 THR A CA 1 ATOM 270 C C . THR A 1 34 ? 18.089 -4.871 60.367 1.00 4.92 ? 34 THR A C 1 ATOM 271 O O . THR A 1 34 ? 17.203 -5.219 61.157 1.00 6.19 ? 34 THR A O 1 ATOM 272 C CB . THR A 1 34 ? 19.720 -6.741 60.123 1.00 6.43 ? 34 THR A CB 1 ATOM 273 O OG1 . THR A 1 34 ? 21.048 -7.162 60.423 1.00 6.16 ? 34 THR A OG1 1 ATOM 274 C CG2 . THR A 1 34 ? 19.511 -6.864 58.628 1.00 6.22 ? 34 THR A CG2 1 ATOM 275 N N . LEU A 1 35 ? 17.832 -4.134 59.301 1.00 5.15 ? 35 LEU A N 1 ATOM 276 C CA . LEU A 1 35 ? 16.494 -3.706 58.916 1.00 5.67 ? 35 LEU A CA 1 ATOM 277 C C . LEU A 1 35 ? 16.265 -4.086 57.456 1.00 4.73 ? 35 LEU A C 1 ATOM 278 O O . LEU A 1 35 ? 17.079 -3.746 56.608 1.00 6.17 ? 35 LEU A O 1 ATOM 279 C CB . LEU A 1 35 ? 16.404 -2.178 59.069 1.00 6.26 ? 35 LEU A CB 1 ATOM 280 C CG . LEU A 1 35 ? 15.158 -1.513 58.485 1.00 7.73 ? 35 LEU A CG 1 ATOM 281 C CD1 . LEU A 1 35 ? 13.900 -1.923 59.279 1.00 8.81 ? 35 LEU A CD1 1 ATOM 282 C CD2 . LEU A 1 35 ? 15.304 0.001 58.479 1.00 9.35 ? 35 LEU A CD2 1 ATOM 283 N N A CYS A 1 36 ? 15.203 -4.834 57.166 0.62 4.74 ? 36 CYS A N 1 ATOM 284 N N B CYS A 1 36 ? 15.167 -4.751 57.150 0.38 5.31 ? 36 CYS A N 1 ATOM 285 C CA A CYS A 1 36 ? 14.813 -5.191 55.799 0.62 5.42 ? 36 CYS A CA 1 ATOM 286 C CA B CYS A 1 36 ? 14.837 -4.969 55.758 0.38 6.60 ? 36 CYS A CA 1 ATOM 287 C C A CYS A 1 36 ? 13.383 -4.710 55.535 0.62 5.05 ? 36 CYS A C 1 ATOM 288 C C B CYS A 1 36 ? 13.365 -4.821 55.495 0.38 5.86 ? 36 CYS A C 1 ATOM 289 O O A CYS A 1 36 ? 12.569 -4.641 56.455 0.62 4.71 ? 36 CYS A O 1 ATOM 290 O O B CYS A 1 36 ? 12.524 -5.101 56.343 0.38 5.22 ? 36 CYS A O 1 ATOM 291 C CB A CYS A 1 36 ? 14.889 -6.716 55.581 0.62 6.85 ? 36 CYS A CB 1 ATOM 292 C CB B CYS A 1 36 ? 15.305 -6.336 55.294 0.38 8.39 ? 36 CYS A CB 1 ATOM 293 S SG A CYS A 1 36 ? 16.532 -7.521 55.720 0.62 8.66 ? 36 CYS A SG 1 ATOM 294 S SG B CYS A 1 36 ? 14.241 -7.650 55.844 0.38 10.00 ? 36 CYS A SG 1 ATOM 295 N N . PHE A 1 37 ? 13.062 -4.388 54.285 1.00 5.73 ? 37 PHE A N 1 ATOM 296 C CA . PHE A 1 37 ? 11.702 -4.128 53.870 1.00 6.19 ? 37 PHE A CA 1 ATOM 297 C C . PHE A 1 37 ? 11.661 -4.076 52.358 1.00 5.47 ? 37 PHE A C 1 ATOM 298 O O . PHE A 1 37 ? 12.690 -4.007 51.699 1.00 5.80 ? 37 PHE A O 1 ATOM 299 C CB . PHE A 1 37 ? 11.168 -2.809 54.447 1.00 6.63 ? 37 PHE A CB 1 ATOM 300 C CG . PHE A 1 37 ? 12.058 -1.638 54.192 1.00 7.45 ? 37 PHE A CG 1 ATOM 301 C CD1 . PHE A 1 37 ? 13.085 -1.315 55.070 1.00 8.99 ? 37 PHE A CD1 1 ATOM 302 C CD2 . PHE A 1 37 ? 11.881 -0.855 53.062 1.00 8.74 ? 37 PHE A CD2 1 ATOM 303 C CE1 . PHE A 1 37 ? 13.912 -0.229 54.815 1.00 10.37 ? 37 PHE A CE1 1 ATOM 304 C CE2 . PHE A 1 37 ? 12.697 0.220 52.816 1.00 10.33 ? 37 PHE A CE2 1 ATOM 305 C CZ . PHE A 1 37 ? 13.723 0.528 53.687 1.00 9.97 ? 37 PHE A CZ 1 ATOM 306 N N . ARG A 1 38 ? 10.455 -4.128 51.818 1.00 6.02 ? 38 ARG A N 1 ATOM 307 C CA . ARG A 1 38 ? 10.216 -4.005 50.386 1.00 6.36 ? 38 ARG A CA 1 ATOM 308 C C . ARG A 1 38 ? 9.485 -2.711 50.133 1.00 6.24 ? 38 ARG A C 1 ATOM 309 O O . ARG A 1 38 ? 8.570 -2.356 50.871 1.00 8.06 ? 38 ARG A O 1 ATOM 310 C CB . ARG A 1 38 ? 9.321 -5.159 49.937 1.00 11.03 ? 38 ARG A CB 1 ATOM 311 C CG . ARG A 1 38 ? 9.971 -6.163 49.085 1.00 15.02 ? 38 ARG A CG 1 ATOM 312 C CD . ARG A 1 38 ? 8.996 -7.288 48.742 1.00 14.72 ? 38 ARG A CD 1 ATOM 313 N NE . ARG A 1 38 ? 9.314 -8.470 49.535 1.00 14.85 ? 38 ARG A NE 1 ATOM 314 C CZ . ARG A 1 38 ? 10.308 -9.295 49.246 1.00 14.91 ? 38 ARG A CZ 1 ATOM 315 N NH1 . ARG A 1 38 ? 11.010 -9.119 48.141 1.00 13.57 ? 38 ARG A NH1 1 ATOM 316 N NH2 . ARG A 1 38 ? 10.570 -10.323 50.037 1.00 17.00 ? 38 ARG A NH2 1 ATOM 317 N N . ALA A 1 39 ? 9.849 -2.009 49.072 1.00 5.37 ? 39 ALA A N 1 ATOM 318 C CA . ALA A 1 39 ? 9.204 -0.751 48.752 1.00 4.73 ? 39 ALA A CA 1 ATOM 319 C C . ALA A 1 39 ? 8.966 -0.639 47.258 1.00 4.95 ? 39 ALA A C 1 ATOM 320 O O . ALA A 1 39 ? 9.752 -1.153 46.450 1.00 6.57 ? 39 ALA A O 1 ATOM 321 C CB . ALA A 1 39 ? 10.055 0.407 49.224 1.00 5.86 ? 39 ALA A CB 1 ATOM 322 N N . TYR A 1 40 ? 7.923 0.097 46.899 1.00 5.26 ? 40 TYR A N 1 ATOM 323 C CA . TYR A 1 40 ? 7.619 0.366 45.502 1.00 5.21 ? 40 TYR A CA 1 ATOM 324 C C . TYR A 1 40 ? 7.113 1.809 45.419 1.00 5.69 ? 40 TYR A C 1 ATOM 325 O O . TYR A 1 40 ? 6.048 2.149 45.947 1.00 5.89 ? 40 TYR A O 1 ATOM 326 C CB . TYR A 1 40 ? 6.573 -0.650 45.023 1.00 5.46 ? 40 TYR A CB 1 ATOM 327 C CG . TYR A 1 40 ? 6.264 -0.683 43.529 1.00 5.17 ? 40 TYR A CG 1 ATOM 328 C CD1 . TYR A 1 40 ? 7.147 -0.199 42.568 1.00 5.64 ? 40 TYR A CD1 1 ATOM 329 C CD2 . TYR A 1 40 ? 5.076 -1.250 43.092 1.00 5.16 ? 40 TYR A CD2 1 ATOM 330 C CE1 . TYR A 1 40 ? 6.825 -0.269 41.210 1.00 6.72 ? 40 TYR A CE1 1 ATOM 331 C CE2 . TYR A 1 40 ? 4.751 -1.315 41.759 1.00 5.91 ? 40 TYR A CE2 1 ATOM 332 C CZ . TYR A 1 40 ? 5.645 -0.835 40.825 1.00 5.54 ? 40 TYR A CZ 1 ATOM 333 O OH . TYR A 1 40 ? 5.307 -0.919 39.487 1.00 7.32 ? 40 TYR A OH 1 ATOM 334 N N . SER A 1 41 ? 7.898 2.651 44.765 1.00 6.24 ? 41 SER A N 1 ATOM 335 C CA . SER A 1 41 ? 7.580 4.065 44.636 1.00 6.06 ? 41 SER A CA 1 ATOM 336 C C . SER A 1 41 ? 8.002 4.535 43.274 1.00 6.33 ? 41 SER A C 1 ATOM 337 O O . SER A 1 41 ? 8.998 4.055 42.753 1.00 9.01 ? 41 SER A O 1 ATOM 338 C CB . SER A 1 41 ? 8.302 4.891 45.710 1.00 7.12 ? 41 SER A CB 1 ATOM 339 O OG . SER A 1 41 ? 8.109 6.297 45.547 1.00 8.06 ? 41 SER A OG 1 ATOM 340 N N . ASP A 1 42 ? 7.280 5.493 42.703 1.00 6.32 ? 42 ASP A N 1 ATOM 341 C CA . ASP A 1 42 ? 7.705 6.112 41.453 1.00 7.40 ? 42 ASP A CA 1 ATOM 342 C C . ASP A 1 42 ? 8.067 7.579 41.634 1.00 7.47 ? 42 ASP A C 1 ATOM 343 O O . ASP A 1 42 ? 8.135 8.334 40.670 1.00 8.29 ? 42 ASP A O 1 ATOM 344 C CB . ASP A 1 42 ? 6.739 5.851 40.286 1.00 8.78 ? 42 ASP A CB 1 ATOM 345 C CG . ASP A 1 42 ? 5.354 6.384 40.501 1.00 10.03 ? 42 ASP A CG 1 ATOM 346 O OD1 . ASP A 1 42 ? 5.156 7.267 41.350 1.00 12.03 ? 42 ASP A OD1 1 ATOM 347 O OD2 . ASP A 1 42 ? 4.442 5.914 39.778 1.00 10.08 ? 42 ASP A OD2 1 ATOM 348 N N . LEU A 1 43 ? 8.401 7.970 42.861 1.00 7.22 ? 43 LEU A N 1 ATOM 349 C CA . LEU A 1 43 ? 9.001 9.274 43.101 1.00 7.90 ? 43 LEU A CA 1 ATOM 350 C C . LEU A 1 43 ? 10.419 9.344 42.538 1.00 9.82 ? 43 LEU A C 1 ATOM 351 O O . LEU A 1 43 ? 11.207 8.406 42.687 1.00 11.60 ? 43 LEU A O 1 ATOM 352 C CB . LEU A 1 43 ? 9.087 9.577 44.603 1.00 7.66 ? 43 LEU A CB 1 ATOM 353 C CG . LEU A 1 43 ? 7.778 9.852 45.356 1.00 7.51 ? 43 LEU A CG 1 ATOM 354 C CD1 . LEU A 1 43 ? 8.057 9.885 46.843 1.00 7.26 ? 43 LEU A CD1 1 ATOM 355 C CD2 . LEU A 1 43 ? 7.116 11.135 44.884 1.00 8.66 ? 43 LEU A CD2 1 ATOM 356 N N . SER A 1 44 ? 10.745 10.491 41.959 1.00 12.08 ? 44 SER A N 1 ATOM 357 C CA . SER A 1 44 ? 12.092 10.774 41.503 1.00 14.16 ? 44 SER A CA 1 ATOM 358 C C . SER A 1 44 ? 12.839 11.647 42.500 1.00 13.46 ? 44 SER A C 1 ATOM 359 O O . SER A 1 44 ? 14.072 11.622 42.553 1.00 14.95 ? 44 SER A O 1 ATOM 360 C CB . SER A 1 44 ? 12.047 11.478 40.146 1.00 17.46 ? 44 SER A CB 1 ATOM 361 O OG . SER A 1 44 ? 11.717 10.555 39.143 1.00 21.00 ? 44 SER A OG 1 ATOM 362 N N . ARG A 1 45 ? 12.100 12.447 43.262 1.00 11.82 ? 45 ARG A N 1 ATOM 363 C CA . ARG A 1 45 ? 12.704 13.311 44.263 1.00 10.82 ? 45 ARG A CA 1 ATOM 364 C C . ARG A 1 45 ? 13.161 12.454 45.430 1.00 11.02 ? 45 ARG A C 1 ATOM 365 O O . ARG A 1 45 ? 12.866 11.262 45.484 1.00 11.56 ? 45 ARG A O 1 ATOM 366 C CB . ARG A 1 45 ? 11.717 14.391 44.744 1.00 10.85 ? 45 ARG A CB 1 ATOM 367 C CG . ARG A 1 45 ? 10.479 13.846 45.438 1.00 11.01 ? 45 ARG A CG 1 ATOM 368 C CD . ARG A 1 45 ? 9.849 14.873 46.375 1.00 11.78 ? 45 ARG A CD 1 ATOM 369 N NE . ARG A 1 45 ? 8.511 14.464 46.787 1.00 10.89 ? 45 ARG A NE 1 ATOM 370 C CZ . ARG A 1 45 ? 8.241 13.620 47.770 1.00 9.81 ? 45 ARG A CZ 1 ATOM 371 N NH1 . ARG A 1 45 ? 9.209 13.092 48.507 1.00 8.83 ? 45 ARG A NH1 1 ATOM 372 N NH2 . ARG A 1 45 ? 6.989 13.324 48.033 1.00 10.71 ? 45 ARG A NH2 1 ATOM 373 N N . ALA A 1 46 ? 13.865 13.075 46.368 1.00 10.87 ? 46 ALA A N 1 ATOM 374 C CA . ALA A 1 46 ? 14.331 12.398 47.561 1.00 10.88 ? 46 ALA A CA 1 ATOM 375 C C . ALA A 1 46 ? 13.170 12.061 48.481 1.00 9.67 ? 46 ALA A C 1 ATOM 376 O O . ALA A 1 46 ? 12.141 12.751 48.492 1.00 10.65 ? 46 ALA A O 1 ATOM 377 C CB . ALA A 1 46 ? 15.330 13.291 48.295 1.00 11.88 ? 46 ALA A CB 1 ATOM 378 N N . TYR A 1 47 ? 13.343 10.999 49.257 1.00 8.45 ? 47 TYR A N 1 ATOM 379 C CA . TYR A 1 47 ? 12.350 10.628 50.259 1.00 8.35 ? 47 TYR A CA 1 ATOM 380 C C . TYR A 1 47 ? 12.929 9.767 51.349 1.00 7.73 ? 47 TYR A C 1 ATOM 381 O O . TYR A 1 47 ? 13.900 9.057 51.145 1.00 7.94 ? 47 TYR A O 1 ATOM 382 C CB . TYR A 1 47 ? 11.150 9.923 49.632 1.00 8.53 ? 47 TYR A CB 1 ATOM 383 C CG . TYR A 1 47 ? 11.434 8.724 48.741 1.00 8.43 ? 47 TYR A CG 1 ATOM 384 C CD1 . TYR A 1 47 ? 11.574 7.440 49.270 1.00 8.67 ? 47 TYR A CD1 1 ATOM 385 C CD2 . TYR A 1 47 ? 11.566 8.878 47.361 1.00 9.25 ? 47 TYR A CD2 1 ATOM 386 C CE1 . TYR A 1 47 ? 11.807 6.348 48.438 1.00 8.95 ? 47 TYR A CE1 1 ATOM 387 C CE2 . TYR A 1 47 ? 11.789 7.801 46.536 1.00 10.45 ? 47 TYR A CE2 1 ATOM 388 C CZ . TYR A 1 47 ? 11.914 6.539 47.084 1.00 10.10 ? 47 TYR A CZ 1 ATOM 389 O OH . TYR A 1 47 ? 12.105 5.462 46.247 1.00 11.85 ? 47 TYR A OH 1 ATOM 390 N N . SER A 1 48 ? 12.270 9.819 52.501 1.00 8.03 ? 48 SER A N 1 ATOM 391 C CA . SER A 1 48 ? 12.595 8.983 53.622 1.00 7.58 ? 48 SER A CA 1 ATOM 392 C C . SER A 1 48 ? 11.899 7.631 53.508 1.00 7.50 ? 48 SER A C 1 ATOM 393 O O . SER A 1 48 ? 10.717 7.558 53.220 1.00 9.11 ? 48 SER A O 1 ATOM 394 C CB . SER A 1 48 ? 12.137 9.673 54.898 1.00 9.52 ? 48 SER A CB 1 ATOM 395 O OG . SER A 1 48 ? 12.470 8.897 56.013 1.00 10.98 ? 48 SER A OG 1 ATOM 396 N N . LEU A 1 49 ? 12.648 6.568 53.788 1.00 6.62 ? 49 LEU A N 1 ATOM 397 C CA . LEU A 1 49 ? 12.078 5.215 53.849 1.00 7.05 ? 49 LEU A CA 1 ATOM 398 C C . LEU A 1 49 ? 11.778 4.753 55.275 1.00 6.81 ? 49 LEU A C 1 ATOM 399 O O . LEU A 1 49 ? 10.791 4.066 55.499 1.00 7.66 ? 49 LEU A O 1 ATOM 400 C CB . LEU A 1 49 ? 13.012 4.216 53.172 1.00 9.09 ? 49 LEU A CB 1 ATOM 401 C CG . LEU A 1 49 ? 13.006 4.347 51.645 1.00 10.17 ? 49 LEU A CG 1 ATOM 402 C CD1 . LEU A 1 49 ? 14.271 3.753 51.078 1.00 11.61 ? 49 LEU A CD1 1 ATOM 403 C CD2 . LEU A 1 49 ? 11.758 3.676 51.053 1.00 10.66 ? 49 LEU A CD2 1 ATOM 404 N N . PHE A 1 50 ? 12.625 5.116 56.222 1.00 6.33 ? 50 PHE A N 1 ATOM 405 C CA . PHE A 1 50 ? 12.473 4.655 57.605 1.00 6.39 ? 50 PHE A CA 1 ATOM 406 C C . PHE A 1 50 ? 13.100 5.684 58.515 1.00 6.60 ? 50 PHE A C 1 ATOM 407 O O . PHE A 1 50 ? 14.280 5.967 58.389 1.00 7.17 ? 50 PHE A O 1 ATOM 408 C CB . PHE A 1 50 ? 13.192 3.314 57.770 1.00 6.86 ? 50 PHE A CB 1 ATOM 409 C CG . PHE A 1 50 ? 13.068 2.689 59.144 1.00 6.74 ? 50 PHE A CG 1 ATOM 410 C CD1 . PHE A 1 50 ? 14.009 2.944 60.127 1.00 6.83 ? 50 PHE A CD1 1 ATOM 411 C CD2 . PHE A 1 50 ? 12.068 1.781 59.418 1.00 7.40 ? 50 PHE A CD2 1 ATOM 412 C CE1 . PHE A 1 50 ? 13.956 2.304 61.366 1.00 7.14 ? 50 PHE A CE1 1 ATOM 413 C CE2 . PHE A 1 50 ? 12.003 1.160 60.653 1.00 8.12 ? 50 PHE A CE2 1 ATOM 414 C CZ . PHE A 1 50 ? 12.946 1.421 61.625 1.00 8.31 ? 50 PHE A CZ 1 ATOM 415 N N . SER A 1 51 ? 12.283 6.268 59.399 1.00 6.76 ? 51 SER A N 1 ATOM 416 C CA . SER A 1 51 ? 12.704 7.387 60.227 1.00 8.19 ? 51 SER A CA 1 ATOM 417 C C . SER A 1 51 ? 12.597 7.014 61.703 1.00 8.92 ? 51 SER A C 1 ATOM 418 O O . SER A 1 51 ? 11.507 6.716 62.206 1.00 9.92 ? 51 SER A O 1 ATOM 419 C CB . SER A 1 51 ? 11.834 8.607 59.876 1.00 8.44 ? 51 SER A CB 1 ATOM 420 O OG . SER A 1 51 ? 12.042 9.710 60.753 1.00 9.70 ? 51 SER A OG 1 ATOM 421 N N . TYR A 1 52 ? 13.729 7.042 62.388 1.00 8.28 ? 52 TYR A N 1 ATOM 422 C CA . TYR A 1 52 ? 13.818 6.672 63.802 1.00 9.18 ? 52 TYR A CA 1 ATOM 423 C C . TYR A 1 52 ? 14.500 7.829 64.532 1.00 10.09 ? 52 TYR A C 1 ATOM 424 O O . TYR A 1 52 ? 15.675 8.106 64.317 1.00 10.19 ? 52 TYR A O 1 ATOM 425 C CB . TYR A 1 52 ? 14.587 5.353 63.879 1.00 9.58 ? 52 TYR A CB 1 ATOM 426 C CG . TYR A 1 52 ? 15.059 4.749 65.193 1.00 9.35 ? 52 TYR A CG 1 ATOM 427 C CD1 . TYR A 1 52 ? 15.881 5.430 66.074 1.00 10.17 ? 52 TYR A CD1 1 ATOM 428 C CD2 . TYR A 1 52 ? 14.771 3.431 65.477 1.00 10.20 ? 52 TYR A CD2 1 ATOM 429 C CE1 . TYR A 1 52 ? 16.364 4.818 67.228 1.00 11.18 ? 52 TYR A CE1 1 ATOM 430 C CE2 . TYR A 1 52 ? 15.239 2.812 66.625 1.00 11.21 ? 52 TYR A CE2 1 ATOM 431 C CZ . TYR A 1 52 ? 16.029 3.511 67.499 1.00 11.99 ? 52 TYR A CZ 1 ATOM 432 O OH . TYR A 1 52 ? 16.484 2.886 68.639 1.00 13.46 ? 52 TYR A OH 1 ATOM 433 N N . ASN A 1 53 ? 13.703 8.559 65.319 1.00 10.47 ? 53 ASN A N 1 ATOM 434 C CA . ASN A 1 53 ? 14.176 9.679 66.132 1.00 11.77 ? 53 ASN A CA 1 ATOM 435 C C . ASN A 1 53 ? 14.015 9.356 67.600 1.00 12.34 ? 53 ASN A C 1 ATOM 436 O O . ASN A 1 53 ? 13.136 8.591 67.975 1.00 11.61 ? 53 ASN A O 1 ATOM 437 C CB . ASN A 1 53 ? 13.375 10.948 65.819 1.00 12.89 ? 53 ASN A CB 1 ATOM 438 C CG . ASN A 1 53 ? 13.906 11.686 64.627 1.00 13.00 ? 53 ASN A CG 1 ATOM 439 O OD1 . ASN A 1 53 ? 14.695 11.140 63.857 1.00 13.71 ? 53 ASN A OD1 1 ATOM 440 N ND2 . ASN A 1 53 ? 13.500 12.944 64.469 1.00 13.50 ? 53 ASN A ND2 1 ATOM 441 N N . THR A 1 54 ? 14.833 9.963 68.445 1.00 13.19 ? 54 THR A N 1 ATOM 442 C CA . THR A 1 54 ? 14.649 9.829 69.887 1.00 15.44 ? 54 THR A CA 1 ATOM 443 C C . THR A 1 54 ? 14.515 11.226 70.482 1.00 17.70 ? 54 THR A C 1 ATOM 444 O O . THR A 1 54 ? 14.725 12.227 69.795 1.00 16.90 ? 54 THR A O 1 ATOM 445 C CB . THR A 1 54 ? 15.812 9.057 70.519 1.00 16.32 ? 54 THR A CB 1 ATOM 446 O OG1 . THR A 1 54 ? 17.030 9.748 70.255 1.00 18.18 ? 54 THR A OG1 1 ATOM 447 C CG2 . THR A 1 54 ? 15.924 7.634 69.934 1.00 16.33 ? 54 THR A CG2 1 ATOM 448 N N . GLN A 1 55 ? 14.118 11.305 71.750 1.00 20.48 ? 55 GLN A N 1 ATOM 449 C CA . GLN A 1 55 ? 13.939 12.609 72.386 1.00 23.39 ? 55 GLN A CA 1 ATOM 450 C C . GLN A 1 55 ? 15.239 13.418 72.314 1.00 23.19 ? 55 GLN A C 1 ATOM 451 O O . GLN A 1 55 ? 16.287 12.992 72.795 1.00 23.76 ? 55 GLN A O 1 ATOM 452 C CB . GLN A 1 55 ? 13.476 12.445 73.842 1.00 25.84 ? 55 GLN A CB 1 ATOM 453 C CG . GLN A 1 55 ? 13.369 13.748 74.636 1.00 28.68 ? 55 GLN A CG 1 ATOM 454 C CD . GLN A 1 55 ? 12.492 14.805 73.982 1.00 31.09 ? 55 GLN A CD 1 ATOM 455 O OE1 . GLN A 1 55 ? 12.868 15.985 73.920 1.00 32.60 ? 55 GLN A OE1 1 ATOM 456 N NE2 . GLN A 1 55 ? 11.314 14.404 73.517 1.00 31.09 ? 55 GLN A NE2 1 ATOM 457 N N . GLY A 1 56 ? 15.167 14.572 71.668 1.00 22.22 ? 56 GLY A N 1 ATOM 458 C CA . GLY A 1 56 ? 16.313 15.446 71.549 1.00 21.32 ? 56 GLY A CA 1 ATOM 459 C C . GLY A 1 56 ? 17.249 15.109 70.403 1.00 21.05 ? 56 GLY A C 1 ATOM 460 O O . GLY A 1 56 ? 18.228 15.820 70.211 1.00 21.96 ? 56 GLY A O 1 ATOM 461 N N . ARG A 1 57 ? 16.952 14.049 69.641 1.00 20.12 ? 57 ARG A N 1 ATOM 462 C CA . ARG A 1 57 ? 17.858 13.591 68.577 1.00 19.02 ? 57 ARG A CA 1 ATOM 463 C C . ARG A 1 57 ? 17.141 13.365 67.266 1.00 17.17 ? 57 ARG A C 1 ATOM 464 O O . ARG A 1 57 ? 16.353 12.436 67.125 1.00 18.10 ? 57 ARG A O 1 ATOM 465 C CB . ARG A 1 57 ? 18.545 12.284 68.969 1.00 19.71 ? 57 ARG A CB 1 ATOM 466 C CG . ARG A 1 57 ? 19.402 12.359 70.212 1.00 21.93 ? 57 ARG A CG 1 ATOM 467 C CD . ARG A 1 57 ? 20.506 13.354 70.047 1.00 24.47 ? 57 ARG A CD 1 ATOM 468 N NE . ARG A 1 57 ? 21.572 13.081 70.992 1.00 27.77 ? 57 ARG A NE 1 ATOM 469 C CZ . ARG A 1 57 ? 22.723 13.741 71.016 1.00 30.10 ? 57 ARG A CZ 1 ATOM 470 N NH1 . ARG A 1 57 ? 22.953 14.709 70.136 1.00 30.26 ? 57 ARG A NH1 1 ATOM 471 N NH2 . ARG A 1 57 ? 23.643 13.424 71.914 1.00 31.70 ? 57 ARG A NH2 1 ATOM 472 N N . ASP A 1 58 ? 17.456 14.206 66.295 1.00 14.75 ? 58 ASP A N 1 ATOM 473 C CA . ASP A 1 58 ? 16.981 14.011 64.932 1.00 12.86 ? 58 ASP A CA 1 ATOM 474 C C . ASP A 1 58 ? 17.894 13.024 64.209 1.00 11.80 ? 58 ASP A C 1 ATOM 475 O O . ASP A 1 58 ? 19.076 12.946 64.497 1.00 13.09 ? 58 ASP A O 1 ATOM 476 C CB . ASP A 1 58 ? 16.981 15.347 64.185 1.00 13.00 ? 58 ASP A CB 1 ATOM 477 C CG . ASP A 1 58 ? 16.274 15.269 62.848 1.00 13.81 ? 58 ASP A CG 1 ATOM 478 O OD1 . ASP A 1 58 ? 15.284 14.540 62.760 1.00 14.17 ? 58 ASP A OD1 1 ATOM 479 O OD2 . ASP A 1 58 ? 16.700 15.931 61.886 1.00 14.49 ? 58 ASP A OD2 1 ATOM 480 N N . ASN A 1 59 ? 17.335 12.290 63.251 1.00 10.78 ? 59 ASN A N 1 ATOM 481 C CA . ASN A 1 59 ? 18.113 11.392 62.373 1.00 10.77 ? 59 ASN A CA 1 ATOM 482 C C . ASN A 1 59 ? 18.986 10.425 63.166 1.00 10.05 ? 59 ASN A C 1 ATOM 483 O O . ASN A 1 59 ? 20.154 10.189 62.847 1.00 10.60 ? 59 ASN A O 1 ATOM 484 C CB . ASN A 1 59 ? 18.945 12.187 61.363 1.00 11.65 ? 59 ASN A CB 1 ATOM 485 C CG . ASN A 1 59 ? 18.091 13.096 60.493 1.00 12.93 ? 59 ASN A CG 1 ATOM 486 O OD1 . ASN A 1 59 ? 16.882 13.036 60.548 1.00 13.16 ? 59 ASN A OD1 1 ATOM 487 N ND2 . ASN A 1 59 ? 18.731 13.919 59.670 1.00 13.98 ? 59 ASN A ND2 1 ATOM 488 N N . GLU A 1 60 ? 18.402 9.853 64.206 1.00 10.19 ? 60 GLU A N 1 ATOM 489 C CA . GLU A 1 60 ? 19.142 8.911 65.042 1.00 9.68 ? 60 GLU A CA 1 ATOM 490 C C . GLU A 1 60 ? 19.404 7.615 64.257 1.00 8.57 ? 60 GLU A C 1 ATOM 491 O O . GLU A 1 60 ? 20.497 7.047 64.305 1.00 9.21 ? 60 GLU A O 1 ATOM 492 C CB . GLU A 1 60 ? 18.411 8.663 66.372 1.00 10.45 ? 60 GLU A CB 1 ATOM 493 C CG . GLU A 1 60 ? 19.185 7.770 67.327 1.00 11.49 ? 60 GLU A CG 1 ATOM 494 C CD . GLU A 1 60 ? 20.489 8.382 67.853 1.00 12.35 ? 60 GLU A CD 1 ATOM 495 O OE1 . GLU A 1 60 ? 20.767 9.583 67.623 1.00 12.41 ? 60 GLU A OE1 1 ATOM 496 O OE2 . GLU A 1 60 ? 21.235 7.653 68.530 1.00 13.40 ? 60 GLU A OE2 1 ATOM 497 N N . LEU A 1 61 ? 18.399 7.162 63.521 1.00 7.52 ? 61 LEU A N 1 ATOM 498 C CA . LEU A 1 61 ? 18.603 6.108 62.542 1.00 8.07 ? 61 LEU A CA 1 ATOM 499 C C . LEU A 1 61 ? 17.671 6.442 61.389 1.00 8.08 ? 61 LEU A C 1 ATOM 500 O O . LEU A 1 61 ? 16.463 6.512 61.573 1.00 10.37 ? 61 LEU A O 1 ATOM 501 C CB . LEU A 1 61 ? 18.281 4.747 63.179 1.00 9.55 ? 61 LEU A CB 1 ATOM 502 C CG . LEU A 1 61 ? 18.609 3.409 62.509 1.00 11.75 ? 61 LEU A CG 1 ATOM 503 C CD1 . LEU A 1 61 ? 18.284 2.223 63.428 1.00 11.36 ? 61 LEU A CD1 1 ATOM 504 C CD2 . LEU A 1 61 ? 17.922 3.232 61.163 1.00 13.80 ? 61 LEU A CD2 1 ATOM 505 N N . LEU A 1 62 ? 18.214 6.688 60.204 1.00 6.56 ? 62 LEU A N 1 ATOM 506 C CA . LEU A 1 62 ? 17.384 7.109 59.094 1.00 5.84 ? 62 LEU A CA 1 ATOM 507 C C . LEU A 1 62 ? 17.864 6.422 57.837 1.00 5.07 ? 62 LEU A C 1 ATOM 508 O O . LEU A 1 62 ? 19.045 6.449 57.529 1.00 6.49 ? 62 LEU A O 1 ATOM 509 C CB . LEU A 1 62 ? 17.450 8.641 58.936 1.00 6.94 ? 62 LEU A CB 1 ATOM 510 C CG . LEU A 1 62 ? 16.849 9.268 57.679 1.00 8.32 ? 62 LEU A CG 1 ATOM 511 C CD1 . LEU A 1 62 ? 15.345 9.063 57.599 1.00 9.24 ? 62 LEU A CD1 1 ATOM 512 C CD2 . LEU A 1 62 ? 17.205 10.738 57.597 1.00 8.66 ? 62 LEU A CD2 1 ATOM 513 N N . VAL A 1 63 ? 16.929 5.806 57.116 1.00 5.01 ? 63 VAL A N 1 ATOM 514 C CA . VAL A 1 63 ? 17.200 5.259 55.789 1.00 5.62 ? 63 VAL A CA 1 ATOM 515 C C . VAL A 1 63 ? 16.530 6.174 54.790 1.00 5.62 ? 63 VAL A C 1 ATOM 516 O O . VAL A 1 63 ? 15.333 6.393 54.846 1.00 5.98 ? 63 VAL A O 1 ATOM 517 C CB . VAL A 1 63 ? 16.696 3.824 55.643 1.00 6.40 ? 63 VAL A CB 1 ATOM 518 C CG1 . VAL A 1 63 ? 17.074 3.282 54.267 1.00 6.95 ? 63 VAL A CG1 1 ATOM 519 C CG2 . VAL A 1 63 ? 17.312 2.958 56.712 1.00 7.83 ? 63 VAL A CG2 1 ATOM 520 N N . TYR A 1 64 ? 17.342 6.737 53.899 1.00 6.40 ? 64 TYR A N 1 ATOM 521 C CA . TYR A 1 64 ? 16.905 7.830 53.040 1.00 6.98 ? 64 TYR A CA 1 ATOM 522 C C . TYR A 1 64 ? 17.349 7.573 51.627 1.00 7.15 ? 64 TYR A C 1 ATOM 523 O O . TYR A 1 64 ? 18.458 7.128 51.396 1.00 8.04 ? 64 TYR A O 1 ATOM 524 C CB . TYR A 1 64 ? 17.540 9.141 53.552 1.00 8.45 ? 64 TYR A CB 1 ATOM 525 C CG . TYR A 1 64 ? 16.936 10.434 53.043 1.00 9.79 ? 64 TYR A CG 1 ATOM 526 C CD1 . TYR A 1 64 ? 15.740 10.923 53.563 1.00 10.22 ? 64 TYR A CD1 1 ATOM 527 C CD2 . TYR A 1 64 ? 17.563 11.177 52.060 1.00 11.27 ? 64 TYR A CD2 1 ATOM 528 C CE1 . TYR A 1 64 ? 15.195 12.100 53.134 1.00 12.12 ? 64 TYR A CE1 1 ATOM 529 C CE2 . TYR A 1 64 ? 17.016 12.392 51.623 1.00 12.50 ? 64 TYR A CE2 1 ATOM 530 C CZ . TYR A 1 64 ? 15.826 12.833 52.165 1.00 13.17 ? 64 TYR A CZ 1 ATOM 531 O OH . TYR A 1 64 ? 15.249 14.012 51.764 1.00 15.29 ? 64 TYR A OH 1 ATOM 532 N N . LYS A 1 65 ? 16.489 7.877 50.673 1.00 8.56 ? 65 LYS A N 1 ATOM 533 C CA . LYS A 1 65 ? 16.824 7.727 49.265 1.00 9.94 ? 65 LYS A CA 1 ATOM 534 C C . LYS A 1 65 ? 16.947 9.114 48.627 1.00 12.05 ? 65 LYS A C 1 ATOM 535 O O . LYS A 1 65 ? 15.945 9.742 48.339 1.00 11.07 ? 65 LYS A O 1 ATOM 536 C CB . LYS A 1 65 ? 15.690 6.947 48.590 1.00 10.49 ? 65 LYS A CB 1 ATOM 537 C CG . LYS A 1 65 ? 16.009 6.549 47.183 1.00 13.01 ? 65 LYS A CG 1 ATOM 538 C CD . LYS A 1 65 ? 16.713 5.249 47.197 1.00 15.94 ? 65 LYS A CD 1 ATOM 539 C CE . LYS A 1 65 ? 17.092 4.843 45.796 1.00 17.52 ? 65 LYS A CE 1 ATOM 540 N NZ . LYS A 1 65 ? 15.923 4.785 44.865 1.00 19.18 ? 65 LYS A NZ 1 ATOM 541 N N . GLU A 1 66 ? 18.165 9.596 48.384 1.00 15.62 ? 66 GLU A N 1 ATOM 542 C CA . GLU A 1 66 ? 18.336 10.943 47.802 1.00 18.37 ? 66 GLU A CA 1 ATOM 543 C C . GLU A 1 66 ? 17.943 11.013 46.329 1.00 15.90 ? 66 GLU A C 1 ATOM 544 O O . GLU A 1 66 ? 17.422 12.027 45.867 1.00 16.22 ? 66 GLU A O 1 ATOM 545 C CB . GLU A 1 66 ? 19.789 11.417 47.930 1.00 23.03 ? 66 GLU A CB 1 ATOM 546 C CG . GLU A 1 66 ? 20.164 11.983 49.293 1.00 27.50 ? 66 GLU A CG 1 ATOM 547 C CD . GLU A 1 66 ? 19.783 13.443 49.445 1.00 31.82 ? 66 GLU A CD 1 ATOM 548 O OE1 . GLU A 1 66 ? 19.148 14.002 48.507 1.00 32.74 ? 66 GLU A OE1 1 ATOM 549 O OE2 . GLU A 1 66 ? 20.126 14.026 50.504 1.00 33.72 ? 66 GLU A OE2 1 ATOM 550 N N . ARG A 1 67 ? 18.190 9.928 45.605 1.00 13.04 ? 67 ARG A N 1 ATOM 551 C CA . ARG A 1 67 ? 17.942 9.886 44.163 1.00 11.95 ? 67 ARG A CA 1 ATOM 552 C C . ARG A 1 67 ? 18.068 8.438 43.698 1.00 10.54 ? 67 ARG A C 1 ATOM 553 O O . ARG A 1 67 ? 18.562 7.575 44.425 1.00 10.26 ? 67 ARG A O 1 ATOM 554 C CB . ARG A 1 67 ? 18.942 10.778 43.400 1.00 13.21 ? 67 ARG A CB 1 ATOM 555 C CG . ARG A 1 67 ? 20.403 10.363 43.561 1.00 14.52 ? 67 ARG A CG 1 ATOM 556 C CD . ARG A 1 67 ? 21.369 11.316 42.850 1.00 17.17 ? 67 ARG A CD 1 ATOM 557 N NE . ARG A 1 67 ? 21.159 12.697 43.280 1.00 19.98 ? 67 ARG A NE 1 ATOM 558 C CZ . ARG A 1 67 ? 21.699 13.242 44.365 1.00 23.11 ? 67 ARG A CZ 1 ATOM 559 N NH1 . ARG A 1 67 ? 22.498 12.536 45.154 1.00 24.65 ? 67 ARG A NH1 1 ATOM 560 N NH2 . ARG A 1 67 ? 21.432 14.506 44.673 1.00 24.15 ? 67 ARG A NH2 1 ATOM 561 N N . VAL A 1 68 ? 17.656 8.163 42.476 1.00 11.58 ? 68 VAL A N 1 ATOM 562 C CA . VAL A 1 68 ? 17.736 6.811 41.951 1.00 11.80 ? 68 VAL A CA 1 ATOM 563 C C . VAL A 1 68 ? 19.172 6.282 42.051 1.00 11.33 ? 68 VAL A C 1 ATOM 564 O O . VAL A 1 68 ? 20.153 6.997 41.781 1.00 12.41 ? 68 VAL A O 1 ATOM 565 C CB . VAL A 1 68 ? 17.214 6.737 40.487 1.00 14.14 ? 68 VAL A CB 1 ATOM 566 C CG1 . VAL A 1 68 ? 17.945 7.720 39.597 1.00 15.75 ? 68 VAL A CG1 1 ATOM 567 C CG2 . VAL A 1 68 ? 17.330 5.304 39.931 1.00 15.24 ? 68 VAL A CG2 1 ATOM 568 N N . GLY A 1 69 ? 19.277 5.037 42.485 1.00 9.96 ? 69 GLY A N 1 ATOM 569 C CA . GLY A 1 69 ? 20.555 4.343 42.565 1.00 9.97 ? 69 GLY A CA 1 ATOM 570 C C . GLY A 1 69 ? 21.450 4.672 43.751 1.00 9.27 ? 69 GLY A C 1 ATOM 571 O O . GLY A 1 69 ? 22.593 4.245 43.773 1.00 10.28 ? 69 GLY A O 1 ATOM 572 N N . GLU A 1 70 ? 20.929 5.403 44.733 1.00 8.07 ? 70 GLU A N 1 ATOM 573 C CA . GLU A 1 70 ? 21.732 5.840 45.873 1.00 7.76 ? 70 GLU A CA 1 ATOM 574 C C . GLU A 1 70 ? 20.948 5.731 47.170 1.00 6.97 ? 70 GLU A C 1 ATOM 575 O O . GLU A 1 70 ? 19.912 6.379 47.349 1.00 9.49 ? 70 GLU A O 1 ATOM 576 C CB . GLU A 1 70 ? 22.197 7.289 45.697 1.00 10.95 ? 70 GLU A CB 1 ATOM 577 C CG . GLU A 1 70 ? 23.088 7.489 44.488 1.00 15.19 ? 70 GLU A CG 1 ATOM 578 C CD . GLU A 1 70 ? 23.681 8.890 44.382 1.00 19.54 ? 70 GLU A CD 1 ATOM 579 O OE1 . GLU A 1 70 ? 23.512 9.709 45.312 1.00 20.83 ? 70 GLU A OE1 1 ATOM 580 O OE2 . GLU A 1 70 ? 24.328 9.166 43.352 1.00 21.91 ? 70 GLU A OE2 1 ATOM 581 N N . TYR A 1 71 ? 21.486 4.950 48.087 1.00 5.79 ? 71 TYR A N 1 ATOM 582 C CA . TYR A 1 71 ? 20.845 4.699 49.372 1.00 5.88 ? 71 TYR A CA 1 ATOM 583 C C . TYR A 1 71 ? 21.716 5.235 50.485 1.00 6.14 ? 71 TYR A C 1 ATOM 584 O O . TYR A 1 71 ? 22.918 4.973 50.515 1.00 6.80 ? 71 TYR A O 1 ATOM 585 C CB . TYR A 1 71 ? 20.617 3.187 49.555 1.00 7.54 ? 71 TYR A CB 1 ATOM 586 C CG . TYR A 1 71 ? 19.593 2.677 48.600 1.00 8.56 ? 71 TYR A CG 1 ATOM 587 C CD1 . TYR A 1 71 ? 19.935 2.254 47.327 1.00 8.36 ? 71 TYR A CD1 1 ATOM 588 C CD2 . TYR A 1 71 ? 18.262 2.619 48.972 1.00 9.59 ? 71 TYR A CD2 1 ATOM 589 C CE1 . TYR A 1 71 ? 18.962 1.809 46.441 1.00 8.74 ? 71 TYR A CE1 1 ATOM 590 C CE2 . TYR A 1 71 ? 17.293 2.165 48.106 1.00 10.24 ? 71 TYR A CE2 1 ATOM 591 C CZ . TYR A 1 71 ? 17.644 1.769 46.843 1.00 9.48 ? 71 TYR A CZ 1 ATOM 592 O OH . TYR A 1 71 ? 16.659 1.323 45.985 1.00 10.65 ? 71 TYR A OH 1 ATOM 593 N N . SER A 1 72 ? 21.097 5.955 51.418 1.00 6.09 ? 72 SER A N 1 ATOM 594 C CA . SER A 1 72 ? 21.811 6.509 52.559 1.00 6.03 ? 72 SER A CA 1 ATOM 595 C C . SER A 1 72 ? 21.322 5.958 53.873 1.00 5.49 ? 72 SER A C 1 ATOM 596 O O . SER A 1 72 ? 20.123 5.723 54.081 1.00 6.15 ? 72 SER A O 1 ATOM 597 C CB . SER A 1 72 ? 21.667 8.035 52.589 1.00 8.12 ? 72 SER A CB 1 ATOM 598 O OG . SER A 1 72 ? 22.206 8.632 51.423 1.00 9.93 ? 72 SER A OG 1 ATOM 599 N N . LEU A 1 73 ? 22.275 5.767 54.777 1.00 5.05 ? 73 LEU A N 1 ATOM 600 C CA . LEU A 1 73 ? 21.983 5.465 56.164 1.00 5.41 ? 73 LEU A CA 1 ATOM 601 C C . LEU A 1 73 ? 22.572 6.549 57.042 1.00 5.05 ? 73 LEU A C 1 ATOM 602 O O . LEU A 1 73 ? 23.732 6.889 56.919 1.00 6.38 ? 73 LEU A O 1 ATOM 603 C CB . LEU A 1 73 ? 22.603 4.131 56.546 1.00 5.35 ? 73 LEU A CB 1 ATOM 604 C CG . LEU A 1 73 ? 22.494 3.748 58.023 1.00 5.81 ? 73 LEU A CG 1 ATOM 605 C CD1 . LEU A 1 73 ? 21.071 3.412 58.451 1.00 7.30 ? 73 LEU A CD1 1 ATOM 606 C CD2 . LEU A 1 73 ? 23.400 2.582 58.332 1.00 6.66 ? 73 LEU A CD2 1 ATOM 607 N N . TYR A 1 74 ? 21.752 7.078 57.953 1.00 5.20 ? 74 TYR A N 1 ATOM 608 C CA . TYR A 1 74 ? 22.217 7.981 59.002 1.00 5.35 ? 74 TYR A CA 1 ATOM 609 C C . TYR A 1 74 ? 22.202 7.221 60.301 1.00 6.08 ? 74 TYR A C 1 ATOM 610 O O . TYR A 1 74 ? 21.210 6.560 60.617 1.00 6.69 ? 74 TYR A O 1 ATOM 611 C CB . TYR A 1 74 ? 21.310 9.200 59.139 1.00 6.56 ? 74 TYR A CB 1 ATOM 612 C CG . TYR A 1 74 ? 21.311 10.127 57.965 1.00 8.42 ? 74 TYR A CG 1 ATOM 613 C CD1 . TYR A 1 74 ? 20.676 9.795 56.783 1.00 8.72 ? 74 TYR A CD1 1 ATOM 614 C CD2 . TYR A 1 74 ? 21.932 11.360 58.045 1.00 10.87 ? 74 TYR A CD2 1 ATOM 615 C CE1 . TYR A 1 74 ? 20.666 10.676 55.706 1.00 11.26 ? 74 TYR A CE1 1 ATOM 616 C CE2 . TYR A 1 74 ? 21.933 12.242 56.987 1.00 12.51 ? 74 TYR A CE2 1 ATOM 617 C CZ . TYR A 1 74 ? 21.325 11.897 55.812 1.00 13.53 ? 74 TYR A CZ 1 ATOM 618 O OH . TYR A 1 74 ? 21.329 12.786 54.752 1.00 17.76 ? 74 TYR A OH 1 ATOM 619 N N . ILE A 1 75 ? 23.290 7.337 61.046 1.00 6.52 ? 75 ILE A N 1 ATOM 620 C CA . ILE A 1 75 ? 23.383 6.851 62.410 1.00 6.70 ? 75 ILE A CA 1 ATOM 621 C C . ILE A 1 75 ? 23.826 8.045 63.239 1.00 6.74 ? 75 ILE A C 1 ATOM 622 O O . ILE A 1 75 ? 24.905 8.623 63.047 1.00 7.51 ? 75 ILE A O 1 ATOM 623 C CB . ILE A 1 75 ? 24.430 5.729 62.569 1.00 6.76 ? 75 ILE A CB 1 ATOM 624 C CG1 . ILE A 1 75 ? 24.089 4.497 61.690 1.00 8.89 ? 75 ILE A CG1 1 ATOM 625 C CG2 . ILE A 1 75 ? 24.577 5.381 64.052 1.00 8.15 ? 75 ILE A CG2 1 ATOM 626 C CD1 . ILE A 1 75 ? 22.866 3.720 62.136 1.00 10.47 ? 75 ILE A CD1 1 ATOM 627 N N . GLY A 1 76 ? 22.967 8.468 64.159 1.00 6.67 ? 76 GLY A N 1 ATOM 628 C CA . GLY A 1 76 ? 23.311 9.593 65.003 1.00 8.06 ? 76 GLY A CA 1 ATOM 629 C C . GLY A 1 76 ? 23.747 10.814 64.216 1.00 9.63 ? 76 GLY A C 1 ATOM 630 O O . GLY A 1 76 ? 24.739 11.464 64.553 1.00 10.00 ? 76 GLY A O 1 ATOM 631 N N . ARG A 1 77 ? 23.005 11.111 63.153 1.00 10.13 ? 77 ARG A N 1 ATOM 632 C CA . ARG A 1 77 ? 23.226 12.290 62.324 1.00 11.22 ? 77 ARG A CA 1 ATOM 633 C C . ARG A 1 77 ? 24.417 12.207 61.366 1.00 11.38 ? 77 ARG A C 1 ATOM 634 O O . ARG A 1 77 ? 24.569 13.068 60.524 1.00 15.79 ? 77 ARG A O 1 ATOM 635 C CB . ARG A 1 77 ? 23.276 13.562 63.193 1.00 12.59 ? 77 ARG A CB 1 ATOM 636 C CG . ARG A 1 77 ? 21.913 13.880 63.766 1.00 14.68 ? 77 ARG A CG 1 ATOM 637 C CD . ARG A 1 77 ? 21.956 14.516 65.155 1.00 16.39 ? 77 ARG A CD 1 ATOM 638 N NE . ARG A 1 77 ? 22.647 13.679 66.144 1.00 17.39 ? 77 ARG A NE 1 ATOM 639 C CZ . ARG A 1 77 ? 22.183 12.544 66.676 1.00 17.52 ? 77 ARG A CZ 1 ATOM 640 N NH1 . ARG A 1 77 ? 21.010 12.025 66.318 1.00 14.87 ? 77 ARG A NH1 1 ATOM 641 N NH2 . ARG A 1 77 ? 22.934 11.888 67.553 1.00 18.93 ? 77 ARG A NH2 1 ATOM 642 N N . HIS A 1 78 ? 25.257 11.187 61.494 1.00 8.68 ? 78 HIS A N 1 ATOM 643 C CA . HIS A 1 78 ? 26.325 10.940 60.530 1.00 8.02 ? 78 HIS A CA 1 ATOM 644 C C . HIS A 1 78 ? 25.749 10.099 59.373 1.00 7.88 ? 78 HIS A C 1 ATOM 645 O O . HIS A 1 78 ? 24.895 9.255 59.594 1.00 8.06 ? 78 HIS A O 1 ATOM 646 C CB . HIS A 1 78 ? 27.449 10.153 61.204 1.00 8.61 ? 78 HIS A CB 1 ATOM 647 C CG . HIS A 1 78 ? 28.165 10.896 62.290 1.00 9.95 ? 78 HIS A CG 1 ATOM 648 N ND1 . HIS A 1 78 ? 29.421 10.530 62.726 1.00 10.81 ? 78 HIS A ND1 1 ATOM 649 C CD2 . HIS A 1 78 ? 27.803 11.960 63.044 1.00 11.28 ? 78 HIS A CD2 1 ATOM 650 C CE1 . HIS A 1 78 ? 29.800 11.337 63.703 1.00 11.21 ? 78 HIS A CE1 1 ATOM 651 N NE2 . HIS A 1 78 ? 28.832 12.206 63.920 1.00 11.22 ? 78 HIS A NE2 1 ATOM 652 N N . LYS A 1 79 ? 26.243 10.296 58.155 1.00 9.31 ? 79 LYS A N 1 ATOM 653 C CA . LYS A 1 79 ? 25.680 9.621 56.983 1.00 10.09 ? 79 LYS A CA 1 ATOM 654 C C . LYS A 1 79 ? 26.725 8.816 56.228 1.00 7.45 ? 79 LYS A C 1 ATOM 655 O O . LYS A 1 79 ? 27.888 9.233 56.131 1.00 9.46 ? 79 LYS A O 1 ATOM 656 C CB . LYS A 1 79 ? 25.099 10.670 56.023 1.00 15.52 ? 79 LYS A CB 1 ATOM 657 C CG . LYS A 1 79 ? 24.641 10.062 54.709 1.00 20.46 ? 79 LYS A CG 1 ATOM 658 C CD . LYS A 1 79 ? 23.852 11.011 53.845 1.00 24.53 ? 79 LYS A CD 1 ATOM 659 C CE . LYS A 1 79 ? 24.706 12.138 53.357 1.00 27.08 ? 79 LYS A CE 1 ATOM 660 N NZ . LYS A 1 79 ? 25.759 11.670 52.438 1.00 29.38 ? 79 LYS A NZ 1 ATOM 661 N N . VAL A 1 80 ? 26.273 7.701 55.674 1.00 5.68 ? 80 VAL A N 1 ATOM 662 C CA . VAL A 1 80 ? 26.967 7.046 54.577 1.00 5.63 ? 80 VAL A CA 1 ATOM 663 C C . VAL A 1 80 ? 26.012 6.796 53.445 1.00 5.72 ? 80 VAL A C 1 ATOM 664 O O . VAL A 1 80 ? 24.815 6.661 53.648 1.00 6.73 ? 80 VAL A O 1 ATOM 665 C CB . VAL A 1 80 ? 27.620 5.724 54.980 1.00 7.12 ? 80 VAL A CB 1 ATOM 666 C CG1 . VAL A 1 80 ? 28.780 5.974 55.959 1.00 8.58 ? 80 VAL A CG1 1 ATOM 667 C CG2 . VAL A 1 80 ? 26.588 4.714 55.551 1.00 6.57 ? 80 VAL A CG2 1 ATOM 668 N N . THR A 1 81 ? 26.556 6.694 52.244 1.00 6.15 ? 81 THR A N 1 ATOM 669 C CA . THR A 1 81 ? 25.753 6.496 51.042 1.00 6.81 ? 81 THR A CA 1 ATOM 670 C C . THR A 1 81 ? 26.455 5.470 50.153 1.00 6.48 ? 81 THR A C 1 ATOM 671 O O . THR A 1 81 ? 27.675 5.521 49.970 1.00 7.63 ? 81 THR A O 1 ATOM 672 C CB . THR A 1 81 ? 25.609 7.810 50.230 1.00 8.76 ? 81 THR A CB 1 ATOM 673 O OG1 . THR A 1 81 ? 24.946 8.800 51.017 1.00 11.07 ? 81 THR A OG1 1 ATOM 674 C CG2 . THR A 1 81 ? 24.823 7.600 48.912 1.00 9.70 ? 81 THR A CG2 1 ATOM 675 N N A SER A 1 82 ? 25.711 4.504 49.630 0.67 5.83 ? 82 SER A N 1 ATOM 676 N N B SER A 1 82 ? 25.649 4.587 49.570 0.33 6.69 ? 82 SER A N 1 ATOM 677 C CA A SER A 1 82 ? 26.267 3.585 48.634 0.67 6.43 ? 82 SER A CA 1 ATOM 678 C CA B SER A 1 82 ? 26.120 3.502 48.717 0.33 7.31 ? 82 SER A CA 1 ATOM 679 C C A SER A 1 82 ? 25.346 3.472 47.428 0.67 6.15 ? 82 SER A C 1 ATOM 680 C C B SER A 1 82 ? 25.312 3.481 47.415 0.33 6.81 ? 82 SER A C 1 ATOM 681 O O A SER A 1 82 ? 24.139 3.715 47.500 0.67 6.10 ? 82 SER A O 1 ATOM 682 O O B SER A 1 82 ? 24.119 3.788 47.413 0.33 7.07 ? 82 SER A O 1 ATOM 683 C CB A SER A 1 82 ? 26.599 2.208 49.218 0.67 7.53 ? 82 SER A CB 1 ATOM 684 C CB B SER A 1 82 ? 25.965 2.182 49.466 0.33 8.29 ? 82 SER A CB 1 ATOM 685 O OG A SER A 1 82 ? 27.757 2.256 50.030 0.67 7.88 ? 82 SER A OG 1 ATOM 686 O OG B SER A 1 82 ? 26.307 2.359 50.831 0.33 8.21 ? 82 SER A OG 1 ATOM 687 N N . LYS A 1 83 ? 25.969 3.132 46.309 1.00 5.78 ? 83 LYS A N 1 ATOM 688 C CA . LYS A 1 83 ? 25.347 3.187 44.995 1.00 6.37 ? 83 LYS A CA 1 ATOM 689 C C . LYS A 1 83 ? 25.057 1.800 44.449 1.00 5.73 ? 83 LYS A C 1 ATOM 690 O O . LYS A 1 83 ? 25.726 0.818 44.774 1.00 6.46 ? 83 LYS A O 1 ATOM 691 C CB . LYS A 1 83 ? 26.262 3.936 44.000 1.00 8.09 ? 83 LYS A CB 1 ATOM 692 C CG . LYS A 1 83 ? 26.585 5.333 44.421 1.00 12.00 ? 83 LYS A CG 1 ATOM 693 C CD . LYS A 1 83 ? 27.436 6.062 43.397 1.00 17.15 ? 83 LYS A CD 1 ATOM 694 C CE . LYS A 1 83 ? 27.549 7.528 43.809 1.00 21.00 ? 83 LYS A CE 1 ATOM 695 N NZ . LYS A 1 83 ? 27.959 8.439 42.708 1.00 23.31 ? 83 LYS A NZ 1 ATOM 696 N N . VAL A 1 84 ? 24.072 1.736 43.574 1.00 5.35 ? 84 VAL A N 1 ATOM 697 C CA . VAL A 1 84 ? 23.671 0.489 42.958 1.00 6.88 ? 84 VAL A CA 1 ATOM 698 C C . VAL A 1 84 ? 23.054 0.773 41.598 1.00 6.65 ? 84 VAL A C 1 ATOM 699 O O . VAL A 1 84 ? 22.443 1.829 41.370 1.00 7.52 ? 84 VAL A O 1 ATOM 700 C CB . VAL A 1 84 ? 22.642 -0.273 43.842 1.00 9.30 ? 84 VAL A CB 1 ATOM 701 C CG1 . VAL A 1 84 ? 21.330 0.470 43.897 1.00 10.70 ? 84 VAL A CG1 1 ATOM 702 C CG2 . VAL A 1 84 ? 22.446 -1.709 43.343 1.00 11.04 ? 84 VAL A CG2 1 ATOM 703 N N . ILE A 1 85 ? 23.213 -0.180 40.693 1.00 8.04 ? 85 ILE A N 1 ATOM 704 C CA . ILE A 1 85 ? 22.484 -0.194 39.428 1.00 8.96 ? 85 ILE A CA 1 ATOM 705 C C . ILE A 1 85 ? 21.066 -0.692 39.679 1.00 10.22 ? 85 ILE A C 1 ATOM 706 O O . ILE A 1 85 ? 20.871 -1.799 40.145 1.00 11.65 ? 85 ILE A O 1 ATOM 707 C CB . ILE A 1 85 ? 23.178 -1.113 38.404 1.00 10.94 ? 85 ILE A CB 1 ATOM 708 C CG1 . ILE A 1 85 ? 24.591 -0.606 38.118 1.00 13.17 ? 85 ILE A CG1 1 ATOM 709 C CG2 . ILE A 1 85 ? 22.349 -1.193 37.132 1.00 11.43 ? 85 ILE A CG2 1 ATOM 710 C CD1 . ILE A 1 85 ? 25.451 -1.611 37.381 1.00 14.21 ? 85 ILE A CD1 1 ATOM 711 N N . GLU A 1 86 ? 20.078 0.120 39.340 1.00 10.86 ? 86 GLU A N 1 ATOM 712 C CA . GLU A 1 86 ? 18.672 -0.273 39.529 1.00 12.27 ? 86 GLU A CA 1 ATOM 713 C C . GLU A 1 86 ? 17.814 0.360 38.447 1.00 13.55 ? 86 GLU A C 1 ATOM 714 O O . GLU A 1 86 ? 18.173 1.390 37.896 1.00 15.32 ? 86 GLU A O 1 ATOM 715 C CB . GLU A 1 86 ? 18.156 0.075 40.941 1.00 15.56 ? 86 GLU A CB 1 ATOM 716 C CG . GLU A 1 86 ? 18.174 1.539 41.297 1.00 17.49 ? 86 GLU A CG 1 ATOM 717 C CD . GLU A 1 86 ? 17.587 1.824 42.684 1.00 16.94 ? 86 GLU A CD 1 ATOM 718 O OE1 . GLU A 1 86 ? 17.390 0.857 43.485 1.00 15.29 ? 86 GLU A OE1 1 ATOM 719 O OE2 . GLU A 1 86 ? 17.327 3.029 42.958 1.00 16.66 ? 86 GLU A OE2 1 ATOM 720 N N . LYS A 1 87 ? 16.700 -0.293 38.131 1.00 13.75 ? 87 LYS A N 1 ATOM 721 C CA . LYS A 1 87 ? 15.735 0.231 37.172 1.00 14.89 ? 87 LYS A CA 1 ATOM 722 C C . LYS A 1 87 ? 14.798 1.189 37.884 1.00 13.35 ? 87 LYS A C 1 ATOM 723 O O . LYS A 1 87 ? 14.660 1.157 39.101 1.00 14.25 ? 87 LYS A O 1 ATOM 724 C CB . LYS A 1 87 ? 14.920 -0.908 36.556 1.00 18.09 ? 87 LYS A CB 1 ATOM 725 C CG . LYS A 1 87 ? 15.759 -1.869 35.737 1.00 21.96 ? 87 LYS A CG 1 ATOM 726 C CD . LYS A 1 87 ? 14.961 -3.084 35.333 1.00 26.26 ? 87 LYS A CD 1 ATOM 727 C CE . LYS A 1 87 ? 15.866 -4.110 34.669 1.00 29.72 ? 87 LYS A CE 1 ATOM 728 N NZ . LYS A 1 87 ? 15.583 -5.500 35.142 1.00 32.01 ? 87 LYS A NZ 1 ATOM 729 N N . PHE A 1 88 ? 14.164 2.061 37.121 1.00 12.06 ? 88 PHE A N 1 ATOM 730 C CA . PHE A 1 88 ? 13.201 2.999 37.687 1.00 11.08 ? 88 PHE A CA 1 ATOM 731 C C . PHE A 1 88 ? 12.015 3.206 36.768 1.00 10.97 ? 88 PHE A C 1 ATOM 732 O O . PHE A 1 88 ? 12.202 3.536 35.601 1.00 12.33 ? 88 PHE A O 1 ATOM 733 C CB . PHE A 1 88 ? 13.863 4.373 37.931 1.00 11.76 ? 88 PHE A CB 1 ATOM 734 C CG . PHE A 1 88 ? 12.876 5.420 38.305 1.00 12.80 ? 88 PHE A CG 1 ATOM 735 C CD1 . PHE A 1 88 ? 12.424 5.505 39.603 1.00 13.02 ? 88 PHE A CD1 1 ATOM 736 C CD2 . PHE A 1 88 ? 12.322 6.260 37.347 1.00 12.56 ? 88 PHE A CD2 1 ATOM 737 C CE1 . PHE A 1 88 ? 11.473 6.422 39.952 1.00 12.81 ? 88 PHE A CE1 1 ATOM 738 C CE2 . PHE A 1 88 ? 11.355 7.192 37.703 1.00 12.39 ? 88 PHE A CE2 1 ATOM 739 C CZ . PHE A 1 88 ? 10.934 7.266 38.999 1.00 12.83 ? 88 PHE A CZ 1 ATOM 740 N N . PRO A 1 89 ? 10.780 3.073 37.288 1.00 9.47 ? 89 PRO A N 1 ATOM 741 C CA . PRO A 1 89 ? 10.428 2.619 38.634 1.00 9.91 ? 89 PRO A CA 1 ATOM 742 C C . PRO A 1 89 ? 10.520 1.117 38.728 1.00 9.71 ? 89 PRO A C 1 ATOM 743 O O . PRO A 1 89 ? 10.364 0.410 37.721 1.00 10.75 ? 89 PRO A O 1 ATOM 744 C CB . PRO A 1 89 ? 8.951 3.037 38.778 1.00 11.34 ? 89 PRO A CB 1 ATOM 745 C CG . PRO A 1 89 ? 8.624 3.823 37.631 1.00 12.20 ? 89 PRO A CG 1 ATOM 746 C CD . PRO A 1 89 ? 9.595 3.552 36.553 1.00 10.39 ? 89 PRO A CD 1 ATOM 747 N N . ALA A 1 90 ? 10.720 0.627 39.946 1.00 9.35 ? 90 ALA A N 1 ATOM 748 C CA . ALA A 1 90 ? 10.778 -0.816 40.171 1.00 9.37 ? 90 ALA A CA 1 ATOM 749 C C . ALA A 1 90 ? 10.643 -1.142 41.636 1.00 8.18 ? 90 ALA A C 1 ATOM 750 O O . ALA A 1 90 ? 11.176 -0.427 42.479 1.00 8.72 ? 90 ALA A O 1 ATOM 751 C CB . ALA A 1 90 ? 12.076 -1.406 39.662 1.00 10.54 ? 90 ALA A CB 1 ATOM 752 N N . PRO A 1 91 ? 9.947 -2.235 41.943 1.00 7.99 ? 91 PRO A N 1 ATOM 753 C CA . PRO A 1 91 ? 9.962 -2.705 43.320 1.00 8.37 ? 91 PRO A CA 1 ATOM 754 C C . PRO A 1 91 ? 11.386 -3.003 43.743 1.00 7.67 ? 91 PRO A C 1 ATOM 755 O O . PRO A 1 91 ? 12.221 -3.400 42.933 1.00 8.71 ? 91 PRO A O 1 ATOM 756 C CB . PRO A 1 91 ? 9.160 -4.002 43.244 1.00 10.34 ? 91 PRO A CB 1 ATOM 757 C CG . PRO A 1 91 ? 8.283 -3.830 42.058 1.00 9.35 ? 91 PRO A CG 1 ATOM 758 C CD . PRO A 1 91 ? 9.113 -3.081 41.084 1.00 8.74 ? 91 PRO A CD 1 ATOM 759 N N . VAL A 1 92 ? 11.656 -2.812 45.016 1.00 6.71 ? 92 VAL A N 1 ATOM 760 C CA . VAL A 1 92 ? 12.963 -3.088 45.561 1.00 6.76 ? 92 VAL A CA 1 ATOM 761 C C . VAL A 1 92 ? 12.862 -3.741 46.929 1.00 6.16 ? 92 VAL A C 1 ATOM 762 O O . VAL A 1 92 ? 11.940 -3.478 47.687 1.00 7.71 ? 92 VAL A O 1 ATOM 763 C CB . VAL A 1 92 ? 13.796 -1.780 45.644 1.00 8.11 ? 92 VAL A CB 1 ATOM 764 C CG1 . VAL A 1 92 ? 13.235 -0.804 46.690 1.00 9.16 ? 92 VAL A CG1 1 ATOM 765 C CG2 . VAL A 1 92 ? 15.246 -2.100 45.912 1.00 8.11 ? 92 VAL A CG2 1 ATOM 766 N N . HIS A 1 93 ? 13.785 -4.649 47.206 1.00 5.14 ? 93 HIS A N 1 ATOM 767 C CA . HIS A 1 93 ? 13.986 -5.170 48.543 1.00 5.30 ? 93 HIS A CA 1 ATOM 768 C C . HIS A 1 93 ? 15.274 -4.559 49.097 1.00 4.85 ? 93 HIS A C 1 ATOM 769 O O . HIS A 1 93 ? 16.328 -4.625 48.450 1.00 5.50 ? 93 HIS A O 1 ATOM 770 C CB . HIS A 1 93 ? 14.094 -6.695 48.511 1.00 5.35 ? 93 HIS A CB 1 ATOM 771 C CG . HIS A 1 93 ? 14.165 -7.295 49.878 1.00 5.71 ? 93 HIS A CG 1 ATOM 772 N ND1 . HIS A 1 93 ? 15.350 -7.676 50.461 1.00 6.96 ? 93 HIS A ND1 1 ATOM 773 C CD2 . HIS A 1 93 ? 13.198 -7.524 50.809 1.00 6.87 ? 93 HIS A CD2 1 ATOM 774 C CE1 . HIS A 1 93 ? 15.110 -8.129 51.681 1.00 6.88 ? 93 HIS A CE1 1 ATOM 775 N NE2 . HIS A 1 93 ? 13.813 -8.039 51.919 1.00 6.99 ? 93 HIS A NE2 1 ATOM 776 N N . ILE A 1 94 ? 15.172 -3.924 50.250 1.00 5.10 ? 94 ILE A N 1 ATOM 777 C CA . ILE A 1 94 ? 16.275 -3.213 50.863 1.00 6.76 ? 94 ILE A CA 1 ATOM 778 C C . ILE A 1 94 ? 16.568 -3.820 52.224 1.00 6.80 ? 94 ILE A C 1 ATOM 779 O O . ILE A 1 94 ? 15.655 -3.998 53.046 1.00 7.87 ? 94 ILE A O 1 ATOM 780 C CB . ILE A 1 94 ? 15.915 -1.736 51.059 1.00 8.19 ? 94 ILE A CB 1 ATOM 781 C CG1 . ILE A 1 94 ? 15.600 -1.068 49.716 1.00 9.41 ? 94 ILE A CG1 1 ATOM 782 C CG2 . ILE A 1 94 ? 17.043 -0.982 51.786 1.00 10.42 ? 94 ILE A CG2 1 ATOM 783 C CD1 . ILE A 1 94 ? 14.747 0.216 49.837 1.00 11.63 ? 94 ILE A CD1 1 ATOM 784 N N A CYS A 1 95 ? 17.813 -4.210 52.461 0.51 5.36 ? 95 CYS A N 1 ATOM 785 N N B CYS A 1 95 ? 17.835 -4.092 52.481 0.49 6.77 ? 95 CYS A N 1 ATOM 786 C CA A CYS A 1 95 ? 18.267 -4.505 53.815 0.51 5.61 ? 95 CYS A CA 1 ATOM 787 C CA B CYS A 1 95 ? 18.270 -4.529 53.793 0.49 7.68 ? 95 CYS A CA 1 ATOM 788 C C A CYS A 1 95 ? 19.436 -3.592 54.121 0.51 4.92 ? 95 CYS A C 1 ATOM 789 C C B CYS A 1 95 ? 19.527 -3.763 54.162 0.49 6.36 ? 95 CYS A C 1 ATOM 790 O O A CYS A 1 95 ? 20.219 -3.236 53.244 0.51 4.39 ? 95 CYS A O 1 ATOM 791 O O B CYS A 1 95 ? 20.445 -3.650 53.351 0.49 5.73 ? 95 CYS A O 1 ATOM 792 C CB A CYS A 1 95 ? 18.726 -5.965 53.982 0.51 7.02 ? 95 CYS A CB 1 ATOM 793 C CB B CYS A 1 95 ? 18.551 -6.029 53.762 0.49 10.19 ? 95 CYS A CB 1 ATOM 794 S SG A CYS A 1 95 ? 17.448 -7.265 53.900 0.51 9.30 ? 95 CYS A SG 1 ATOM 795 S SG B CYS A 1 95 ? 19.124 -6.727 55.293 0.49 12.51 ? 95 CYS A SG 1 ATOM 796 N N . VAL A 1 96 ? 19.586 -3.249 55.384 1.00 5.53 ? 96 VAL A N 1 ATOM 797 C CA . VAL A 1 96 ? 20.750 -2.519 55.844 1.00 5.58 ? 96 VAL A CA 1 ATOM 798 C C . VAL A 1 96 ? 21.076 -2.999 57.245 1.00 5.42 ? 96 VAL A C 1 ATOM 799 O O . VAL A 1 96 ? 20.184 -3.191 58.055 1.00 5.74 ? 96 VAL A O 1 ATOM 800 C CB . VAL A 1 96 ? 20.561 -0.995 55.758 1.00 8.31 ? 96 VAL A CB 1 ATOM 801 C CG1 . VAL A 1 96 ? 19.405 -0.533 56.628 1.00 9.60 ? 96 VAL A CG1 1 ATOM 802 C CG2 . VAL A 1 96 ? 21.869 -0.267 56.041 1.00 9.16 ? 96 VAL A CG2 1 ATOM 803 N N . SER A 1 97 ? 22.341 -3.264 57.503 1.00 6.61 ? 97 SER A N 1 ATOM 804 C CA . SER A 1 97 ? 22.808 -3.613 58.828 1.00 6.39 ? 97 SER A CA 1 ATOM 805 C C . SER A 1 97 ? 23.882 -2.653 59.262 1.00 5.53 ? 97 SER A C 1 ATOM 806 O O . SER A 1 97 ? 24.563 -2.031 58.438 1.00 6.63 ? 97 SER A O 1 ATOM 807 C CB . SER A 1 97 ? 23.314 -5.046 58.884 1.00 7.22 ? 97 SER A CB 1 ATOM 808 O OG . SER A 1 97 ? 24.514 -5.191 58.157 1.00 8.32 ? 97 SER A OG 1 ATOM 809 N N . TRP A 1 98 ? 24.097 -2.577 60.561 1.00 5.59 ? 98 TRP A N 1 ATOM 810 C CA . TRP A 1 98 ? 25.135 -1.739 61.152 1.00 5.17 ? 98 TRP A CA 1 ATOM 811 C C . TRP A 1 98 ? 25.622 -2.363 62.431 1.00 5.97 ? 98 TRP A C 1 ATOM 812 O O . TRP A 1 98 ? 24.824 -2.939 63.195 1.00 6.98 ? 98 TRP A O 1 ATOM 813 C CB . TRP A 1 98 ? 24.664 -0.297 61.368 1.00 5.72 ? 98 TRP A CB 1 ATOM 814 C CG . TRP A 1 98 ? 25.677 0.598 62.015 1.00 6.24 ? 98 TRP A CG 1 ATOM 815 C CD1 . TRP A 1 98 ? 26.748 1.213 61.429 1.00 7.21 ? 98 TRP A CD1 1 ATOM 816 C CD2 . TRP A 1 98 ? 25.734 0.925 63.395 1.00 7.19 ? 98 TRP A CD2 1 ATOM 817 N NE1 . TRP A 1 98 ? 27.430 1.953 62.359 1.00 7.95 ? 98 TRP A NE1 1 ATOM 818 C CE2 . TRP A 1 98 ? 26.821 1.801 63.573 1.00 8.01 ? 98 TRP A CE2 1 ATOM 819 C CE3 . TRP A 1 98 ? 24.925 0.609 64.498 1.00 8.71 ? 98 TRP A CE3 1 ATOM 820 C CZ2 . TRP A 1 98 ? 27.151 2.326 64.812 1.00 9.49 ? 98 TRP A CZ2 1 ATOM 821 C CZ3 . TRP A 1 98 ? 25.236 1.142 65.718 1.00 9.78 ? 98 TRP A CZ3 1 ATOM 822 C CH2 . TRP A 1 98 ? 26.339 1.996 65.867 1.00 10.35 ? 98 TRP A CH2 1 ATOM 823 N N . GLU A 1 99 ? 26.932 -2.307 62.623 1.00 7.06 ? 99 GLU A N 1 ATOM 824 C CA . GLU A 1 99 ? 27.613 -2.915 63.759 1.00 8.19 ? 99 GLU A CA 1 ATOM 825 C C . GLU A 1 99 ? 28.460 -1.838 64.437 1.00 7.25 ? 99 GLU A C 1 ATOM 826 O O . GLU A 1 99 ? 29.401 -1.330 63.848 1.00 8.04 ? 99 GLU A O 1 ATOM 827 C CB . GLU A 1 99 ? 28.499 -4.036 63.191 1.00 10.56 ? 99 GLU A CB 1 ATOM 828 C CG . GLU A 1 99 ? 29.254 -4.853 64.203 1.00 14.49 ? 99 GLU A CG 1 ATOM 829 C CD . GLU A 1 99 ? 30.139 -5.867 63.527 1.00 16.43 ? 99 GLU A CD 1 ATOM 830 O OE1 . GLU A 1 99 ? 31.063 -5.473 62.771 1.00 16.27 ? 99 GLU A OE1 1 ATOM 831 O OE2 . GLU A 1 99 ? 29.904 -7.076 63.733 1.00 18.85 ? 99 GLU A OE2 1 ATOM 832 N N . SER A 1 100 ? 28.155 -1.498 65.678 1.00 8.04 ? 100 SER A N 1 ATOM 833 C CA . SER A 1 100 ? 28.914 -0.464 66.379 1.00 7.78 ? 100 SER A CA 1 ATOM 834 C C . SER A 1 100 ? 30.405 -0.805 66.497 1.00 8.56 ? 100 SER A C 1 ATOM 835 O O . SER A 1 100 ? 31.268 0.063 66.357 1.00 8.37 ? 100 SER A O 1 ATOM 836 C CB . SER A 1 100 ? 28.351 -0.267 67.785 1.00 8.70 ? 100 SER A CB 1 ATOM 837 O OG . SER A 1 100 ? 29.130 0.676 68.514 1.00 10.10 ? 100 SER A OG 1 ATOM 838 N N . SER A 1 101 ? 30.728 -2.056 66.766 1.00 8.16 ? 101 SER A N 1 ATOM 839 C CA . SER A 1 101 ? 32.118 -2.382 67.068 1.00 10.00 ? 101 SER A CA 1 ATOM 840 C C . SER A 1 101 ? 33.088 -2.026 65.937 1.00 8.87 ? 101 SER A C 1 ATOM 841 O O . SER A 1 101 ? 34.219 -1.630 66.181 1.00 10.59 ? 101 SER A O 1 ATOM 842 C CB . SER A 1 101 ? 32.248 -3.858 67.428 1.00 12.54 ? 101 SER A CB 1 ATOM 843 O OG . SER A 1 101 ? 31.869 -4.684 66.350 1.00 15.34 ? 101 SER A OG 1 ATOM 844 N N . SER A 1 102 ? 32.643 -2.156 64.700 1.00 7.68 ? 102 SER A N 1 ATOM 845 C CA . SER A 1 102 ? 33.472 -1.843 63.531 1.00 6.87 ? 102 SER A CA 1 ATOM 846 C C . SER A 1 102 ? 33.013 -0.558 62.842 1.00 6.54 ? 102 SER A C 1 ATOM 847 O O . SER A 1 102 ? 33.744 -0.001 62.037 1.00 8.25 ? 102 SER A O 1 ATOM 848 C CB . SER A 1 102 ? 33.358 -2.968 62.512 1.00 7.74 ? 102 SER A CB 1 ATOM 849 O OG . SER A 1 102 ? 32.018 -3.072 62.057 1.00 8.14 ? 102 SER A OG 1 ATOM 850 N N . GLY A 1 103 ? 31.797 -0.127 63.143 1.00 5.76 ? 103 GLY A N 1 ATOM 851 C CA . GLY A 1 103 ? 31.134 0.918 62.405 1.00 6.23 ? 103 GLY A CA 1 ATOM 852 C C . GLY A 1 103 ? 30.623 0.558 61.025 1.00 5.23 ? 103 GLY A C 1 ATOM 853 O O . GLY A 1 103 ? 30.096 1.415 60.317 1.00 5.87 ? 103 GLY A O 1 ATOM 854 N N . ILE A 1 104 ? 30.726 -0.705 60.631 1.00 5.33 ? 104 ILE A N 1 ATOM 855 C CA . ILE A 1 104 ? 30.384 -1.075 59.260 1.00 4.82 ? 104 ILE A CA 1 ATOM 856 C C . ILE A 1 104 ? 28.892 -1.139 58.999 1.00 5.16 ? 104 ILE A C 1 ATOM 857 O O . ILE A 1 104 ? 28.143 -1.768 59.752 1.00 6.31 ? 104 ILE A O 1 ATOM 858 C CB . ILE A 1 104 ? 31.019 -2.420 58.886 1.00 6.82 ? 104 ILE A CB 1 ATOM 859 C CG1 . ILE A 1 104 ? 32.547 -2.326 58.885 1.00 8.48 ? 104 ILE A CG1 1 ATOM 860 C CG2 . ILE A 1 104 ? 30.493 -2.908 57.543 1.00 7.17 ? 104 ILE A CG2 1 ATOM 861 C CD1 . ILE A 1 104 ? 33.155 -1.345 57.874 1.00 10.04 ? 104 ILE A CD1 1 ATOM 862 N N . ALA A 1 105 ? 28.469 -0.466 57.936 1.00 6.05 ? 105 ALA A N 1 ATOM 863 C CA . ALA A 1 105 ? 27.115 -0.501 57.421 1.00 6.85 ? 105 ALA A CA 1 ATOM 864 C C . ALA A 1 105 ? 27.105 -1.264 56.112 1.00 5.78 ? 105 ALA A C 1 ATOM 865 O O . ALA A 1 105 ? 27.931 -0.997 55.222 1.00 7.47 ? 105 ALA A O 1 ATOM 866 C CB . ALA A 1 105 ? 26.602 0.914 57.193 1.00 8.68 ? 105 ALA A CB 1 ATOM 867 N N . GLU A 1 106 ? 26.192 -2.209 56.008 1.00 5.47 ? 106 GLU A N 1 ATOM 868 C CA . GLU A 1 106 ? 26.029 -3.045 54.825 1.00 7.09 ? 106 GLU A CA 1 ATOM 869 C C . GLU A 1 106 ? 24.644 -2.876 54.253 1.00 7.37 ? 106 GLU A C 1 ATOM 870 O O . GLU A 1 106 ? 23.675 -3.268 54.892 1.00 10.18 ? 106 GLU A O 1 ATOM 871 C CB . GLU A 1 106 ? 26.097 -4.531 55.165 1.00 10.73 ? 106 GLU A CB 1 ATOM 872 C CG . GLU A 1 106 ? 27.318 -5.074 55.776 1.00 14.48 ? 106 GLU A CG 1 ATOM 873 C CD . GLU A 1 106 ? 27.280 -6.612 55.890 1.00 17.70 ? 106 GLU A CD 1 ATOM 874 O OE1 . GLU A 1 106 ? 26.346 -7.296 55.340 1.00 16.82 ? 106 GLU A OE1 1 ATOM 875 O OE2 . GLU A 1 106 ? 28.211 -7.124 56.536 1.00 21.08 ? 106 GLU A OE2 1 ATOM 876 N N . PHE A 1 107 ? 24.537 -2.347 53.048 1.00 6.98 ? 107 PHE A N 1 ATOM 877 C CA . PHE A 1 107 ? 23.301 -2.344 52.294 1.00 6.13 ? 107 PHE A CA 1 ATOM 878 C C . PHE A 1 107 ? 23.262 -3.551 51.374 1.00 4.56 ? 107 PHE A C 1 ATOM 879 O O . PHE A 1 107 ? 24.274 -3.910 50.748 1.00 5.19 ? 107 PHE A O 1 ATOM 880 C CB . PHE A 1 107 ? 23.164 -1.086 51.416 1.00 6.75 ? 107 PHE A CB 1 ATOM 881 C CG . PHE A 1 107 ? 22.500 0.113 52.100 1.00 7.65 ? 107 PHE A CG 1 ATOM 882 C CD1 . PHE A 1 107 ? 21.123 0.143 52.297 1.00 8.13 ? 107 PHE A CD1 1 ATOM 883 C CD2 . PHE A 1 107 ? 23.227 1.232 52.454 1.00 9.39 ? 107 PHE A CD2 1 ATOM 884 C CE1 . PHE A 1 107 ? 20.502 1.242 52.884 1.00 8.75 ? 107 PHE A CE1 1 ATOM 885 C CE2 . PHE A 1 107 ? 22.617 2.321 53.041 1.00 9.23 ? 107 PHE A CE2 1 ATOM 886 C CZ . PHE A 1 107 ? 21.261 2.332 53.259 1.00 9.37 ? 107 PHE A CZ 1 ATOM 887 N N . TRP A 1 108 ? 22.084 -4.140 51.261 1.00 4.32 ? 108 TRP A N 1 ATOM 888 C CA . TRP A 1 108 ? 21.783 -5.199 50.288 1.00 4.36 ? 108 TRP A CA 1 ATOM 889 C C . TRP A 1 108 ? 20.531 -4.788 49.541 1.00 4.45 ? 108 TRP A C 1 ATOM 890 O O . TRP A 1 108 ? 19.495 -4.529 50.158 1.00 6.07 ? 108 TRP A O 1 ATOM 891 C CB . TRP A 1 108 ? 21.536 -6.528 50.971 1.00 5.68 ? 108 TRP A CB 1 ATOM 892 C CG . TRP A 1 108 ? 22.736 -7.117 51.666 1.00 6.93 ? 108 TRP A CG 1 ATOM 893 C CD1 . TRP A 1 108 ? 23.313 -6.660 52.814 1.00 9.51 ? 108 TRP A CD1 1 ATOM 894 C CD2 . TRP A 1 108 ? 23.473 -8.280 51.285 1.00 7.77 ? 108 TRP A CD2 1 ATOM 895 N NE1 . TRP A 1 108 ? 24.368 -7.453 53.157 1.00 10.33 ? 108 TRP A NE1 1 ATOM 896 C CE2 . TRP A 1 108 ? 24.495 -8.453 52.234 1.00 9.68 ? 108 TRP A CE2 1 ATOM 897 C CE3 . TRP A 1 108 ? 23.364 -9.194 50.236 1.00 8.95 ? 108 TRP A CE3 1 ATOM 898 C CZ2 . TRP A 1 108 ? 25.414 -9.513 52.163 1.00 11.09 ? 108 TRP A CZ2 1 ATOM 899 C CZ3 . TRP A 1 108 ? 24.295 -10.224 50.159 1.00 11.33 ? 108 TRP A CZ3 1 ATOM 900 C CH2 . TRP A 1 108 ? 25.290 -10.377 51.118 1.00 11.52 ? 108 TRP A CH2 1 ATOM 901 N N . ILE A 1 109 ? 20.605 -4.744 48.218 1.00 4.66 ? 109 ILE A N 1 ATOM 902 C CA . ILE A 1 109 ? 19.500 -4.310 47.381 1.00 5.36 ? 109 ILE A CA 1 ATOM 903 C C . ILE A 1 109 ? 19.132 -5.481 46.469 1.00 5.31 ? 109 ILE A C 1 ATOM 904 O O . ILE A 1 109 ? 19.960 -5.957 45.699 1.00 6.57 ? 109 ILE A O 1 ATOM 905 C CB . ILE A 1 109 ? 19.893 -3.097 46.539 1.00 6.83 ? 109 ILE A CB 1 ATOM 906 C CG1 . ILE A 1 109 ? 20.325 -1.929 47.422 1.00 7.32 ? 109 ILE A CG1 1 ATOM 907 C CG2 . ILE A 1 109 ? 18.764 -2.686 45.606 1.00 8.47 ? 109 ILE A CG2 1 ATOM 908 C CD1 . ILE A 1 109 ? 19.288 -1.448 48.416 1.00 7.83 ? 109 ILE A CD1 1 ATOM 909 N N . ASN A 1 110 ? 17.904 -5.979 46.571 1.00 5.26 ? 110 ASN A N 1 ATOM 910 C CA . ASN A 1 110 ? 17.475 -7.174 45.811 1.00 7.35 ? 110 ASN A CA 1 ATOM 911 C C . ASN A 1 110 ? 18.454 -8.339 45.962 1.00 7.99 ? 110 ASN A C 1 ATOM 912 O O . ASN A 1 110 ? 18.766 -9.044 44.990 1.00 10.99 ? 110 ASN A O 1 ATOM 913 C CB . ASN A 1 110 ? 17.246 -6.840 44.341 1.00 9.44 ? 110 ASN A CB 1 ATOM 914 C CG . ASN A 1 110 ? 16.206 -5.786 44.168 1.00 10.70 ? 110 ASN A CG 1 ATOM 915 O OD1 . ASN A 1 110 ? 15.235 -5.737 44.939 1.00 10.02 ? 110 ASN A OD1 1 ATOM 916 N ND2 . ASN A 1 110 ? 16.398 -4.906 43.189 1.00 13.64 ? 110 ASN A ND2 1 ATOM 917 N N . GLY A 1 111 ? 18.942 -8.518 47.185 1.00 7.83 ? 111 GLY A N 1 ATOM 918 C CA . GLY A 1 111 ? 19.798 -9.635 47.517 1.00 9.16 ? 111 GLY A CA 1 ATOM 919 C C . GLY A 1 111 ? 21.238 -9.503 47.049 1.00 10.20 ? 111 GLY A C 1 ATOM 920 O O . GLY A 1 111 ? 21.993 -10.458 47.140 1.00 12.88 ? 111 GLY A O 1 ATOM 921 N N A THR A 1 112 ? 21.622 -8.318 46.598 0.61 8.50 ? 112 THR A N 1 ATOM 922 N N B THR A 1 112 ? 21.620 -8.322 46.551 0.39 9.56 ? 112 THR A N 1 ATOM 923 C CA A THR A 1 112 ? 22.996 -8.096 46.193 0.61 8.73 ? 112 THR A CA 1 ATOM 924 C CA B THR A 1 112 ? 23.001 -8.056 46.100 0.39 9.82 ? 112 THR A CA 1 ATOM 925 C C A THR A 1 112 ? 23.640 -7.072 47.098 0.61 6.14 ? 112 THR A C 1 ATOM 926 C C B THR A 1 112 ? 23.666 -7.031 47.017 0.39 7.31 ? 112 THR A C 1 ATOM 927 O O A THR A 1 112 ? 23.055 -6.047 47.427 0.61 5.90 ? 112 THR A O 1 ATOM 928 O O B THR A 1 112 ? 23.112 -5.966 47.281 0.39 7.48 ? 112 THR A O 1 ATOM 929 C CB A THR A 1 112 ? 23.110 -7.624 44.753 0.61 10.77 ? 112 THR A CB 1 ATOM 930 C CB B THR A 1 112 ? 23.075 -7.593 44.599 0.39 12.02 ? 112 THR A CB 1 ATOM 931 O OG1 A THR A 1 112 ? 22.672 -6.275 44.646 0.61 13.53 ? 112 THR A OG1 1 ATOM 932 O OG1 B THR A 1 112 ? 24.334 -6.945 44.308 0.39 12.39 ? 112 THR A OG1 1 ATOM 933 C CG2 A THR A 1 112 ? 22.298 -8.502 43.830 0.61 9.59 ? 112 THR A CG2 1 ATOM 934 C CG2 B THR A 1 112 ? 21.979 -6.651 44.262 0.39 13.40 ? 112 THR A CG2 1 ATOM 935 N N . PRO A 1 113 ? 24.854 -7.361 47.530 1.00 5.62 ? 113 PRO A N 1 ATOM 936 C CA . PRO A 1 113 ? 25.512 -6.455 48.465 1.00 4.21 ? 113 PRO A CA 1 ATOM 937 C C . PRO A 1 113 ? 26.089 -5.235 47.783 1.00 4.10 ? 113 PRO A C 1 ATOM 938 O O . PRO A 1 113 ? 26.739 -5.359 46.733 1.00 5.51 ? 113 PRO A O 1 ATOM 939 C CB . PRO A 1 113 ? 26.606 -7.331 49.057 1.00 5.72 ? 113 PRO A CB 1 ATOM 940 C CG . PRO A 1 113 ? 26.935 -8.300 47.968 1.00 6.81 ? 113 PRO A CG 1 ATOM 941 C CD . PRO A 1 113 ? 25.640 -8.572 47.274 1.00 5.67 ? 113 PRO A CD 1 ATOM 942 N N . LEU A 1 114 ? 25.879 -4.070 48.391 1.00 2.78 ? 114 LEU A N 1 ATOM 943 C CA . LEU A 1 114 ? 26.538 -2.836 47.987 1.00 3.33 ? 114 LEU A CA 1 ATOM 944 C C . LEU A 1 114 ? 27.906 -2.754 48.653 1.00 3.63 ? 114 LEU A C 1 ATOM 945 O O . LEU A 1 114 ? 28.257 -3.560 49.504 1.00 4.81 ? 114 LEU A O 1 ATOM 946 C CB . LEU A 1 114 ? 25.696 -1.604 48.348 1.00 4.35 ? 114 LEU A CB 1 ATOM 947 C CG . LEU A 1 114 ? 24.267 -1.608 47.816 1.00 6.14 ? 114 LEU A CG 1 ATOM 948 C CD1 . LEU A 1 114 ? 23.660 -0.212 47.864 1.00 6.08 ? 114 LEU A CD1 1 ATOM 949 C CD2 . LEU A 1 114 ? 24.112 -2.240 46.478 1.00 8.45 ? 114 LEU A CD2 1 ATOM 950 N N . VAL A 1 115 ? 28.700 -1.782 48.255 1.00 3.50 ? 115 VAL A N 1 ATOM 951 C CA . VAL A 1 115 ? 29.984 -1.564 48.905 1.00 3.87 ? 115 VAL A CA 1 ATOM 952 C C . VAL A 1 115 ? 29.777 -1.170 50.371 1.00 3.81 ? 115 VAL A C 1 ATOM 953 O O . VAL A 1 115 ? 28.997 -0.265 50.659 1.00 5.23 ? 115 VAL A O 1 ATOM 954 C CB . VAL A 1 115 ? 30.797 -0.462 48.176 1.00 5.00 ? 115 VAL A CB 1 ATOM 955 C CG1 . VAL A 1 115 ? 32.126 -0.240 48.874 1.00 5.22 ? 115 VAL A CG1 1 ATOM 956 C CG2 . VAL A 1 115 ? 31.012 -0.820 46.685 1.00 4.79 ? 115 VAL A CG2 1 ATOM 957 N N . LYS A 1 116 ? 30.484 -1.832 51.284 1.00 4.47 ? 116 LYS A N 1 ATOM 958 C CA . LYS A 1 116 ? 30.420 -1.496 52.712 1.00 4.66 ? 116 LYS A CA 1 ATOM 959 C C . LYS A 1 116 ? 30.996 -0.115 52.990 1.00 5.56 ? 116 LYS A C 1 ATOM 960 O O . LYS A 1 116 ? 31.953 0.305 52.338 1.00 7.56 ? 116 LYS A O 1 ATOM 961 C CB . LYS A 1 116 ? 31.222 -2.511 53.531 1.00 6.29 ? 116 LYS A CB 1 ATOM 962 C CG . LYS A 1 116 ? 30.548 -3.859 53.718 1.00 9.34 ? 116 LYS A CG 1 ATOM 963 C CD . LYS A 1 116 ? 31.586 -4.859 54.290 1.00 12.70 ? 116 LYS A CD 1 ATOM 964 C CE . LYS A 1 116 ? 31.023 -6.157 54.787 1.00 15.27 ? 116 LYS A CE 1 ATOM 965 N NZ . LYS A 1 116 ? 30.425 -6.949 53.684 1.00 15.47 ? 116 LYS A NZ 1 ATOM 966 N N . LYS A 1 117 ? 30.375 0.598 53.924 1.00 5.64 ? 117 LYS A N 1 ATOM 967 C CA . LYS A 1 117 ? 30.867 1.898 54.366 1.00 5.39 ? 117 LYS A CA 1 ATOM 968 C C . LYS A 1 117 ? 30.935 1.841 55.882 1.00 6.26 ? 117 LYS A C 1 ATOM 969 O O . LYS A 1 117 ? 30.462 0.892 56.469 1.00 8.98 ? 117 LYS A O 1 ATOM 970 C CB . LYS A 1 117 ? 29.971 3.050 53.881 1.00 6.20 ? 117 LYS A CB 1 ATOM 971 C CG . LYS A 1 117 ? 29.875 3.156 52.355 1.00 6.30 ? 117 LYS A CG 1 ATOM 972 C CD . LYS A 1 117 ? 31.188 3.499 51.651 1.00 8.40 ? 117 LYS A CD 1 ATOM 973 C CE . LYS A 1 117 ? 31.128 3.237 50.137 1.00 9.25 ? 117 LYS A CE 1 ATOM 974 N NZ . LYS A 1 117 ? 30.185 4.149 49.443 1.00 8.95 ? 117 LYS A NZ 1 ATOM 975 N N . GLY A 1 118 ? 31.554 2.821 56.518 1.00 4.74 ? 118 GLY A N 1 ATOM 976 C CA . GLY A 1 118 ? 31.663 2.819 57.968 1.00 5.23 ? 118 GLY A CA 1 ATOM 977 C C . GLY A 1 118 ? 31.391 4.176 58.561 1.00 5.86 ? 118 GLY A C 1 ATOM 978 O O . GLY A 1 118 ? 31.753 5.199 58.000 1.00 6.95 ? 118 GLY A O 1 ATOM 979 N N . LEU A 1 119 ? 30.717 4.163 59.711 1.00 5.75 ? 119 LEU A N 1 ATOM 980 C CA . LEU A 1 119 ? 30.404 5.370 60.461 1.00 5.96 ? 119 LEU A CA 1 ATOM 981 C C . LEU A 1 119 ? 30.115 5.012 61.917 1.00 5.60 ? 119 LEU A C 1 ATOM 982 O O . LEU A 1 119 ? 29.684 3.904 62.249 1.00 5.82 ? 119 LEU A O 1 ATOM 983 C CB . LEU A 1 119 ? 29.181 6.101 59.885 1.00 5.94 ? 119 LEU A CB 1 ATOM 984 C CG . LEU A 1 119 ? 27.793 5.469 60.068 1.00 5.87 ? 119 LEU A CG 1 ATOM 985 C CD1 . LEU A 1 119 ? 26.717 6.457 59.608 1.00 7.20 ? 119 LEU A CD1 1 ATOM 986 C CD2 . LEU A 1 119 ? 27.621 4.164 59.352 1.00 6.24 ? 119 LEU A CD2 1 ATOM 987 N N . ARG A 1 120 ? 30.390 5.970 62.796 1.00 6.16 ? 120 ARG A N 1 ATOM 988 C CA . ARG A 1 120 ? 29.962 5.887 64.202 1.00 6.65 ? 120 ARG A CA 1 ATOM 989 C C . ARG A 1 120 ? 30.484 4.643 64.921 1.00 6.34 ? 120 ARG A C 1 ATOM 990 O O . ARG A 1 120 ? 29.834 4.104 65.802 1.00 7.87 ? 120 ARG A O 1 ATOM 991 C CB . ARG A 1 120 ? 28.438 5.958 64.291 1.00 8.52 ? 120 ARG A CB 1 ATOM 992 C CG . ARG A 1 120 ? 27.934 7.356 64.053 1.00 11.14 ? 120 ARG A CG 1 ATOM 993 C CD . ARG A 1 120 ? 28.291 8.175 65.278 1.00 13.53 ? 120 ARG A CD 1 ATOM 994 N NE . ARG A 1 120 ? 27.442 9.327 65.409 1.00 14.57 ? 120 ARG A NE 1 ATOM 995 C CZ . ARG A 1 120 ? 27.569 10.228 66.375 1.00 13.61 ? 120 ARG A CZ 1 ATOM 996 N NH1 . ARG A 1 120 ? 28.538 10.130 67.269 1.00 15.23 ? 120 ARG A NH1 1 ATOM 997 N NH2 . ARG A 1 120 ? 26.740 11.236 66.425 1.00 13.21 ? 120 ARG A NH2 1 ATOM 998 N N . GLN A 1 121 ? 31.704 4.230 64.602 1.00 7.22 ? 121 GLN A N 1 ATOM 999 C CA . GLN A 1 121 ? 32.320 3.139 65.334 1.00 7.75 ? 121 GLN A CA 1 ATOM 1000 C C . GLN A 1 121 ? 32.313 3.457 66.828 1.00 8.71 ? 121 GLN A C 1 ATOM 1001 O O . GLN A 1 121 ? 32.767 4.526 67.248 1.00 9.91 ? 121 GLN A O 1 ATOM 1002 C CB . GLN A 1 121 ? 33.744 2.892 64.844 1.00 8.36 ? 121 GLN A CB 1 ATOM 1003 C CG . GLN A 1 121 ? 34.437 1.736 65.575 1.00 8.86 ? 121 GLN A CG 1 ATOM 1004 C CD . GLN A 1 121 ? 35.825 1.465 65.066 1.00 10.55 ? 121 GLN A CD 1 ATOM 1005 O OE1 . GLN A 1 121 ? 36.559 2.391 64.690 1.00 12.60 ? 121 GLN A OE1 1 ATOM 1006 N NE2 . GLN A 1 121 ? 36.216 0.192 65.091 1.00 10.99 ? 121 GLN A NE2 1 ATOM 1007 N N . GLY A 1 122 ? 31.772 2.531 67.618 1.00 9.26 ? 122 GLY A N 1 ATOM 1008 C CA . GLY A 1 122 ? 31.712 2.663 69.074 1.00 9.94 ? 122 GLY A CA 1 ATOM 1009 C C . GLY A 1 122 ? 30.458 3.351 69.627 1.00 10.52 ? 122 GLY A C 1 ATOM 1010 O O . GLY A 1 122 ? 30.239 3.392 70.839 1.00 12.74 ? 122 GLY A O 1 ATOM 1011 N N . TYR A 1 123 ? 29.618 3.888 68.749 1.00 9.89 ? 123 TYR A N 1 ATOM 1012 C CA . TYR A 1 123 ? 28.394 4.591 69.145 1.00 9.97 ? 123 TYR A CA 1 ATOM 1013 C C . TYR A 1 123 ? 27.301 3.599 69.534 1.00 10.80 ? 123 TYR A C 1 ATOM 1014 O O . TYR A 1 123 ? 27.279 2.451 69.065 1.00 10.69 ? 123 TYR A O 1 ATOM 1015 C CB . TYR A 1 123 ? 27.939 5.436 67.946 1.00 10.16 ? 123 TYR A CB 1 ATOM 1016 C CG . TYR A 1 123 ? 26.754 6.349 68.148 1.00 10.73 ? 123 TYR A CG 1 ATOM 1017 C CD1 . TYR A 1 123 ? 26.871 7.495 68.912 1.00 11.89 ? 123 TYR A CD1 1 ATOM 1018 C CD2 . TYR A 1 123 ? 25.529 6.080 67.545 1.00 10.83 ? 123 TYR A CD2 1 ATOM 1019 C CE1 . TYR A 1 123 ? 25.809 8.340 69.092 1.00 12.38 ? 123 TYR A CE1 1 ATOM 1020 C CE2 . TYR A 1 123 ? 24.458 6.927 67.696 1.00 11.35 ? 123 TYR A CE2 1 ATOM 1021 C CZ . TYR A 1 123 ? 24.602 8.051 68.481 1.00 12.29 ? 123 TYR A CZ 1 ATOM 1022 O OH . TYR A 1 123 ? 23.536 8.899 68.669 1.00 13.96 ? 123 TYR A OH 1 ATOM 1023 N N . PHE A 1 124 ? 26.390 4.037 70.400 1.00 11.51 ? 124 PHE A N 1 ATOM 1024 C CA . PHE A 1 124 ? 25.168 3.297 70.708 1.00 14.34 ? 124 PHE A CA 1 ATOM 1025 C C . PHE A 1 124 ? 23.964 4.087 70.178 1.00 13.60 ? 124 PHE A C 1 ATOM 1026 O O . PHE A 1 124 ? 23.789 5.258 70.533 1.00 14.72 ? 124 PHE A O 1 ATOM 1027 C CB . PHE A 1 124 ? 24.995 3.169 72.214 1.00 18.24 ? 124 PHE A CB 1 ATOM 1028 C CG . PHE A 1 124 ? 25.962 2.238 72.874 1.00 22.28 ? 124 PHE A CG 1 ATOM 1029 C CD1 . PHE A 1 124 ? 27.318 2.472 72.850 1.00 24.64 ? 124 PHE A CD1 1 ATOM 1030 C CD2 . PHE A 1 124 ? 25.490 1.149 73.588 1.00 24.81 ? 124 PHE A CD2 1 ATOM 1031 C CE1 . PHE A 1 124 ? 28.198 1.607 73.482 1.00 25.84 ? 124 PHE A CE1 1 ATOM 1032 C CE2 . PHE A 1 124 ? 26.354 0.290 74.228 1.00 26.33 ? 124 PHE A CE2 1 ATOM 1033 C CZ . PHE A 1 124 ? 27.711 0.518 74.176 1.00 26.63 ? 124 PHE A CZ 1 ATOM 1034 N N . VAL A 1 125 ? 23.147 3.471 69.323 1.00 12.52 ? 125 VAL A N 1 ATOM 1035 C CA . VAL A 1 125 ? 21.918 4.120 68.858 1.00 12.49 ? 125 VAL A CA 1 ATOM 1036 C C . VAL A 1 125 ? 20.963 4.254 70.030 1.00 13.59 ? 125 VAL A C 1 ATOM 1037 O O . VAL A 1 125 ? 20.714 3.279 70.729 1.00 13.88 ? 125 VAL A O 1 ATOM 1038 C CB . VAL A 1 125 ? 21.267 3.324 67.709 1.00 12.94 ? 125 VAL A CB 1 ATOM 1039 C CG1 . VAL A 1 125 ? 19.878 3.868 67.393 1.00 13.29 ? 125 VAL A CG1 1 ATOM 1040 C CG2 . VAL A 1 125 ? 22.176 3.373 66.479 1.00 13.63 ? 125 VAL A CG2 1 ATOM 1041 N N . GLU A 1 126 ? 20.447 5.462 70.243 1.00 14.56 ? 126 GLU A N 1 ATOM 1042 C CA . GLU A 1 126 ? 19.616 5.738 71.415 1.00 17.57 ? 126 GLU A CA 1 ATOM 1043 C C . GLU A 1 126 ? 18.315 4.946 71.389 1.00 18.32 ? 126 GLU A C 1 ATOM 1044 O O . GLU A 1 126 ? 17.769 4.630 70.320 1.00 17.66 ? 126 GLU A O 1 ATOM 1045 C CB . GLU A 1 126 ? 19.325 7.243 71.551 1.00 20.79 ? 126 GLU A CB 1 ATOM 1046 C CG . GLU A 1 126 ? 20.552 8.105 71.909 1.00 24.37 ? 126 GLU A CG 1 ATOM 1047 C CD . GLU A 1 126 ? 20.222 9.580 72.126 1.00 27.62 ? 126 GLU A CD 1 ATOM 1048 O OE1 . GLU A 1 126 ? 19.026 9.914 72.309 1.00 29.11 ? 126 GLU A OE1 1 ATOM 1049 O OE2 . GLU A 1 126 ? 21.166 10.406 72.109 1.00 28.32 ? 126 GLU A OE2 1 ATOM 1050 N N . ALA A 1 127 ? 17.835 4.631 72.590 1.00 19.97 ? 127 ALA A N 1 ATOM 1051 C CA . ALA A 1 127 ? 16.629 3.840 72.790 1.00 21.36 ? 127 ALA A CA 1 ATOM 1052 C C . ALA A 1 127 ? 15.379 4.722 72.905 1.00 20.77 ? 127 ALA A C 1 ATOM 1053 O O . ALA A 1 127 ? 15.452 5.950 72.781 1.00 20.39 ? 127 ALA A O 1 ATOM 1054 C CB . ALA A 1 127 ? 16.788 2.990 74.047 1.00 22.65 ? 127 ALA A CB 1 ATOM 1055 N N . GLN A 1 128 ? 14.240 4.079 73.153 1.00 20.85 ? 128 GLN A N 1 ATOM 1056 C CA . GLN A 1 128 ? 12.943 4.761 73.259 1.00 21.66 ? 128 GLN A CA 1 ATOM 1057 C C . GLN A 1 128 ? 12.634 5.628 72.038 1.00 18.54 ? 128 GLN A C 1 ATOM 1058 O O . GLN A 1 128 ? 12.341 6.829 72.150 1.00 17.68 ? 128 GLN A O 1 ATOM 1059 C CB . GLN A 1 128 ? 12.866 5.577 74.559 1.00 25.39 ? 128 GLN A CB 1 ATOM 1060 C CG . GLN A 1 128 ? 13.012 4.695 75.810 1.00 29.30 ? 128 GLN A CG 1 ATOM 1061 C CD . GLN A 1 128 ? 12.929 5.461 77.118 1.00 33.19 ? 128 GLN A CD 1 ATOM 1062 O OE1 . GLN A 1 128 ? 13.295 6.635 77.193 1.00 34.90 ? 128 GLN A OE1 1 ATOM 1063 N NE2 . GLN A 1 128 ? 12.454 4.791 78.164 1.00 34.48 ? 128 GLN A NE2 1 ATOM 1064 N N . PRO A 1 129 ? 12.678 5.012 70.846 1.00 16.78 ? 129 PRO A N 1 ATOM 1065 C CA . PRO A 1 129 ? 12.454 5.767 69.617 1.00 15.33 ? 129 PRO A CA 1 ATOM 1066 C C . PRO A 1 129 ? 11.001 5.974 69.289 1.00 14.87 ? 129 PRO A C 1 ATOM 1067 O O . PRO A 1 129 ? 10.121 5.262 69.782 1.00 17.37 ? 129 PRO A O 1 ATOM 1068 C CB . PRO A 1 129 ? 13.055 4.858 68.556 1.00 14.91 ? 129 PRO A CB 1 ATOM 1069 C CG . PRO A 1 129 ? 12.744 3.458 69.085 1.00 15.67 ? 129 PRO A CG 1 ATOM 1070 C CD . PRO A 1 129 ? 12.972 3.594 70.579 1.00 16.72 ? 129 PRO A CD 1 ATOM 1071 N N . LYS A 1 130 ? 10.762 6.992 68.476 1.00 13.39 ? 130 LYS A N 1 ATOM 1072 C CA . LYS A 1 130 ? 9.563 7.066 67.663 1.00 12.99 ? 130 LYS A CA 1 ATOM 1073 C C . LYS A 1 130 ? 9.999 6.668 66.260 1.00 10.53 ? 130 LYS A C 1 ATOM 1074 O O . LYS A 1 130 ? 10.973 7.226 65.725 1.00 10.82 ? 130 LYS A O 1 ATOM 1075 C CB . LYS A 1 130 ? 8.992 8.491 67.666 1.00 15.94 ? 130 LYS A CB 1 ATOM 1076 C CG . LYS A 1 130 ? 8.481 8.953 69.014 1.00 20.15 ? 130 LYS A CG 1 ATOM 1077 C CD . LYS A 1 130 ? 7.006 9.021 69.027 1.00 23.49 ? 130 LYS A CD 1 ATOM 1078 C CE . LYS A 1 130 ? 6.490 9.390 70.410 1.00 25.31 ? 130 LYS A CE 1 ATOM 1079 N NZ . LYS A 1 130 ? 5.061 9.066 70.511 1.00 27.37 ? 130 LYS A NZ 1 ATOM 1080 N N . ILE A 1 131 ? 9.292 5.690 65.693 1.00 9.36 ? 131 ILE A N 1 ATOM 1081 C CA . ILE A 1 131 ? 9.617 5.122 64.390 1.00 8.80 ? 131 ILE A CA 1 ATOM 1082 C C . ILE A 1 131 ? 8.458 5.391 63.450 1.00 8.53 ? 131 ILE A C 1 ATOM 1083 O O . ILE A 1 131 ? 7.311 5.034 63.740 1.00 9.49 ? 131 ILE A O 1 ATOM 1084 C CB . ILE A 1 131 ? 9.873 3.613 64.474 1.00 9.76 ? 131 ILE A CB 1 ATOM 1085 C CG1 . ILE A 1 131 ? 10.978 3.330 65.498 1.00 10.75 ? 131 ILE A CG1 1 ATOM 1086 C CG2 . ILE A 1 131 ? 10.225 3.070 63.088 1.00 10.02 ? 131 ILE A CG2 1 ATOM 1087 C CD1 . ILE A 1 131 ? 11.304 1.874 65.662 1.00 11.68 ? 131 ILE A CD1 1 ATOM 1088 N N . VAL A 1 132 ? 8.760 6.037 62.334 1.00 8.30 ? 132 VAL A N 1 ATOM 1089 C CA . VAL A 1 132 ? 7.737 6.488 61.408 1.00 8.95 ? 132 VAL A CA 1 ATOM 1090 C C . VAL A 1 132 ? 8.027 6.046 59.986 1.00 8.53 ? 132 VAL A C 1 ATOM 1091 O O . VAL A 1 132 ? 9.159 6.165 59.510 1.00 9.31 ? 132 VAL A O 1 ATOM 1092 C CB . VAL A 1 132 ? 7.616 8.017 61.431 1.00 10.37 ? 132 VAL A CB 1 ATOM 1093 C CG1 . VAL A 1 132 ? 6.670 8.509 60.341 1.00 11.23 ? 132 VAL A CG1 1 ATOM 1094 C CG2 . VAL A 1 132 ? 7.162 8.471 62.803 1.00 11.58 ? 132 VAL A CG2 1 ATOM 1095 N N . LEU A 1 133 ? 6.995 5.507 59.337 1.00 7.84 ? 133 LEU A N 1 ATOM 1096 C CA . LEU A 1 133 ? 6.976 5.290 57.901 1.00 7.98 ? 133 LEU A CA 1 ATOM 1097 C C . LEU A 1 133 ? 6.111 6.342 57.246 1.00 7.64 ? 133 LEU A C 1 ATOM 1098 O O . LEU A 1 133 ? 5.082 6.732 57.796 1.00 8.93 ? 133 LEU A O 1 ATOM 1099 C CB . LEU A 1 133 ? 6.373 3.927 57.585 1.00 8.63 ? 133 LEU A CB 1 ATOM 1100 C CG . LEU A 1 133 ? 7.036 2.684 58.157 1.00 9.72 ? 133 LEU A CG 1 ATOM 1101 C CD1 . LEU A 1 133 ? 6.317 1.475 57.598 1.00 9.84 ? 133 LEU A CD1 1 ATOM 1102 C CD2 . LEU A 1 133 ? 8.533 2.623 57.837 1.00 10.24 ? 133 LEU A CD2 1 ATOM 1103 N N . GLY A 1 134 ? 6.504 6.782 56.052 1.00 8.06 ? 134 GLY A N 1 ATOM 1104 C CA . GLY A 1 134 ? 5.687 7.699 55.277 1.00 8.41 ? 134 GLY A CA 1 ATOM 1105 C C . GLY A 1 134 ? 6.142 9.138 55.321 1.00 8.77 ? 134 GLY A C 1 ATOM 1106 O O . GLY A 1 134 ? 5.855 9.922 54.418 1.00 9.34 ? 134 GLY A O 1 ATOM 1107 N N . GLN A 1 135 ? 6.823 9.504 56.399 1.00 9.40 ? 135 GLN A N 1 ATOM 1108 C CA . GLN A 1 135 ? 7.296 10.869 56.598 1.00 9.57 ? 135 GLN A CA 1 ATOM 1109 C C . GLN A 1 135 ? 8.676 10.814 57.230 1.00 9.05 ? 135 GLN A C 1 ATOM 1110 O O . GLN A 1 135 ? 9.057 9.812 57.865 1.00 10.79 ? 135 GLN A O 1 ATOM 1111 C CB . GLN A 1 135 ? 6.360 11.652 57.532 1.00 11.00 ? 135 GLN A CB 1 ATOM 1112 C CG . GLN A 1 135 ? 4.928 11.791 57.040 1.00 11.61 ? 135 GLN A CG 1 ATOM 1113 C CD . GLN A 1 135 ? 4.779 12.696 55.819 1.00 10.74 ? 135 GLN A CD 1 ATOM 1114 O OE1 . GLN A 1 135 ? 5.606 13.569 55.556 1.00 11.68 ? 135 GLN A OE1 1 ATOM 1115 N NE2 . GLN A 1 135 ? 3.706 12.496 55.083 1.00 10.64 ? 135 GLN A NE2 1 ATOM 1116 N N . GLU A 1 136 ? 9.415 11.900 57.068 1.00 9.92 ? 136 GLU A N 1 ATOM 1117 C CA . GLU A 1 136 ? 10.700 12.069 57.724 1.00 9.77 ? 136 GLU A CA 1 ATOM 1118 C C . GLU A 1 136 ? 10.507 12.956 58.972 1.00 9.97 ? 136 GLU A C 1 ATOM 1119 O O . GLU A 1 136 ? 9.967 14.049 58.882 1.00 10.97 ? 136 GLU A O 1 ATOM 1120 C CB . GLU A 1 136 ? 11.682 12.710 56.741 1.00 10.43 ? 136 GLU A CB 1 ATOM 1121 C CG . GLU A 1 136 ? 13.143 12.403 57.009 1.00 11.52 ? 136 GLU A CG 1 ATOM 1122 C CD . GLU A 1 136 ? 13.699 13.196 58.173 1.00 11.82 ? 136 GLU A CD 1 ATOM 1123 O OE1 . GLU A 1 136 ? 13.438 14.409 58.238 1.00 13.23 ? 136 GLU A OE1 1 ATOM 1124 O OE2 . GLU A 1 136 ? 14.417 12.620 59.010 1.00 12.51 ? 136 GLU A OE2 1 ATOM 1125 N N . GLN A 1 137 ? 10.916 12.471 60.140 1.00 10.53 ? 137 GLN A N 1 ATOM 1126 C CA . GLN A 1 137 ? 10.756 13.235 61.379 1.00 10.97 ? 137 GLN A CA 1 ATOM 1127 C C . GLN A 1 137 ? 11.839 14.262 61.544 1.00 11.67 ? 137 GLN A C 1 ATOM 1128 O O . GLN A 1 137 ? 12.985 13.949 61.320 1.00 11.65 ? 137 GLN A O 1 ATOM 1129 C CB . GLN A 1 137 ? 10.843 12.324 62.600 1.00 10.27 ? 137 GLN A CB 1 ATOM 1130 C CG . GLN A 1 137 ? 9.718 11.347 62.759 1.00 11.44 ? 137 GLN A CG 1 ATOM 1131 C CD . GLN A 1 137 ? 9.988 10.392 63.883 1.00 11.67 ? 137 GLN A CD 1 ATOM 1132 O OE1 . GLN A 1 137 ? 9.657 10.667 65.033 1.00 13.95 ? 137 GLN A OE1 1 ATOM 1133 N NE2 . GLN A 1 137 ? 10.629 9.278 63.575 1.00 10.45 ? 137 GLN A NE2 1 ATOM 1134 N N . ASP A 1 138 ? 11.479 15.471 61.966 1.00 12.74 ? 138 ASP A N 1 ATOM 1135 C CA . ASP A 1 138 ? 12.473 16.438 62.457 1.00 14.76 ? 138 ASP A CA 1 ATOM 1136 C C . ASP A 1 138 ? 12.325 16.713 63.953 1.00 16.28 ? 138 ASP A C 1 ATOM 1137 O O . ASP A 1 138 ? 13.141 17.428 64.522 1.00 18.30 ? 138 ASP A O 1 ATOM 1138 C CB . ASP A 1 138 ? 12.427 17.751 61.664 1.00 14.86 ? 138 ASP A CB 1 ATOM 1139 C CG . ASP A 1 138 ? 13.057 17.617 60.297 1.00 15.12 ? 138 ASP A CG 1 ATOM 1140 O OD1 . ASP A 1 138 ? 13.850 16.679 60.079 1.00 14.93 ? 138 ASP A OD1 1 ATOM 1141 O OD2 . ASP A 1 138 ? 12.764 18.435 59.413 1.00 16.86 ? 138 ASP A OD2 1 ATOM 1142 N N . SER A 1 139 ? 11.290 16.157 64.584 1.00 16.07 ? 139 SER A N 1 ATOM 1143 C CA . SER A 1 139 ? 11.130 16.211 66.044 1.00 17.42 ? 139 SER A CA 1 ATOM 1144 C C . SER A 1 139 ? 10.886 14.790 66.563 1.00 16.90 ? 139 SER A C 1 ATOM 1145 O O . SER A 1 139 ? 10.991 13.824 65.801 1.00 16.45 ? 139 SER A O 1 ATOM 1146 C CB . SER A 1 139 ? 9.958 17.109 66.420 1.00 18.84 ? 139 SER A CB 1 ATOM 1147 O OG . SER A 1 139 ? 8.739 16.552 65.991 1.00 19.96 ? 139 SER A OG 1 ATOM 1148 N N . TYR A 1 140 ? 10.549 14.660 67.844 1.00 17.22 ? 140 TYR A N 1 ATOM 1149 C CA . TYR A 1 140 ? 10.269 13.342 68.411 1.00 17.80 ? 140 TYR A CA 1 ATOM 1150 C C . TYR A 1 140 ? 8.829 12.979 68.069 1.00 18.84 ? 140 TYR A C 1 ATOM 1151 O O . TYR A 1 140 ? 7.900 13.256 68.828 1.00 19.86 ? 140 TYR A O 1 ATOM 1152 C CB . TYR A 1 140 ? 10.527 13.349 69.924 1.00 18.19 ? 140 TYR A CB 1 ATOM 1153 C CG . TYR A 1 140 ? 10.427 12.008 70.617 1.00 18.10 ? 140 TYR A CG 1 ATOM 1154 C CD1 . TYR A 1 140 ? 11.192 10.918 70.189 1.00 18.21 ? 140 TYR A CD1 1 ATOM 1155 C CD2 . TYR A 1 140 ? 9.606 11.844 71.733 1.00 19.40 ? 140 TYR A CD2 1 ATOM 1156 C CE1 . TYR A 1 140 ? 11.123 9.708 70.824 1.00 19.06 ? 140 TYR A CE1 1 ATOM 1157 C CE2 . TYR A 1 140 ? 9.518 10.639 72.372 1.00 19.75 ? 140 TYR A CE2 1 ATOM 1158 C CZ . TYR A 1 140 ? 10.277 9.575 71.932 1.00 20.08 ? 140 TYR A CZ 1 ATOM 1159 O OH . TYR A 1 140 ? 10.173 8.379 72.605 1.00 21.07 ? 140 TYR A OH 1 ATOM 1160 N N . GLY A 1 141 ? 8.649 12.433 66.874 1.00 19.30 ? 141 GLY A N 1 ATOM 1161 C CA . GLY A 1 141 ? 7.352 11.974 66.417 1.00 19.73 ? 141 GLY A CA 1 ATOM 1162 C C . GLY A 1 141 ? 6.705 12.846 65.361 1.00 20.59 ? 141 GLY A C 1 ATOM 1163 O O . GLY A 1 141 ? 5.630 12.508 64.870 1.00 22.36 ? 141 GLY A O 1 ATOM 1164 N N . GLY A 1 142 ? 7.334 13.964 65.005 1.00 20.16 ? 142 GLY A N 1 ATOM 1165 C CA . GLY A 1 142 ? 6.692 14.935 64.136 1.00 19.86 ? 142 GLY A CA 1 ATOM 1166 C C . GLY A 1 142 ? 7.617 15.816 63.317 1.00 18.74 ? 142 GLY A C 1 ATOM 1167 O O . GLY A 1 142 ? 8.728 15.413 62.947 1.00 17.50 ? 142 GLY A O 1 ATOM 1168 N N . LYS A 1 143 ? 7.129 17.020 63.025 1.00 19.39 ? 143 LYS A N 1 ATOM 1169 C CA . LYS A 1 143 ? 7.823 18.008 62.197 1.00 20.23 ? 143 LYS A CA 1 ATOM 1170 C C . LYS A 1 143 ? 8.200 17.427 60.836 1.00 18.02 ? 143 LYS A C 1 ATOM 1171 O O . LYS A 1 143 ? 9.371 17.394 60.437 1.00 17.65 ? 143 LYS A O 1 ATOM 1172 C CB . LYS A 1 143 ? 9.037 18.608 62.930 1.00 22.71 ? 143 LYS A CB 1 ATOM 1173 C CG . LYS A 1 143 ? 8.667 19.722 63.904 1.00 25.48 ? 143 LYS A CG 1 ATOM 1174 C CD . LYS A 1 143 ? 9.895 20.332 64.597 1.00 28.01 ? 143 LYS A CD 1 ATOM 1175 C CE . LYS A 1 143 ? 10.939 20.858 63.626 1.00 30.62 ? 143 LYS A CE 1 ATOM 1176 N NZ . LYS A 1 143 ? 10.473 22.026 62.835 1.00 32.51 ? 143 LYS A NZ 1 ATOM 1177 N N . PHE A 1 144 ? 7.170 16.979 60.129 1.00 15.74 ? 144 PHE A N 1 ATOM 1178 C CA . PHE A 1 144 ? 7.313 16.361 58.823 1.00 14.81 ? 144 PHE A CA 1 ATOM 1179 C C . PHE A 1 144 ? 7.529 17.391 57.692 1.00 15.39 ? 144 PHE A C 1 ATOM 1180 O O . PHE A 1 144 ? 7.322 18.590 57.868 1.00 17.29 ? 144 PHE A O 1 ATOM 1181 C CB . PHE A 1 144 ? 6.056 15.535 58.541 1.00 13.67 ? 144 PHE A CB 1 ATOM 1182 C CG . PHE A 1 144 ? 5.757 14.485 59.585 1.00 14.26 ? 144 PHE A CG 1 ATOM 1183 C CD1 . PHE A 1 144 ? 6.764 13.762 60.179 1.00 14.26 ? 144 PHE A CD1 1 ATOM 1184 C CD2 . PHE A 1 144 ? 4.450 14.196 59.937 1.00 15.06 ? 144 PHE A CD2 1 ATOM 1185 C CE1 . PHE A 1 144 ? 6.478 12.764 61.109 1.00 15.10 ? 144 PHE A CE1 1 ATOM 1186 C CE2 . PHE A 1 144 ? 4.159 13.207 60.874 1.00 15.50 ? 144 PHE A CE2 1 ATOM 1187 C CZ . PHE A 1 144 ? 5.184 12.491 61.455 1.00 15.78 ? 144 PHE A CZ 1 ATOM 1188 N N . ASP A 1 145 ? 7.937 16.903 56.522 1.00 15.29 ? 145 ASP A N 1 ATOM 1189 C CA . ASP A 1 145 ? 8.269 17.772 55.399 1.00 15.38 ? 145 ASP A CA 1 ATOM 1190 C C . ASP A 1 145 ? 7.727 17.095 54.147 1.00 14.80 ? 145 ASP A C 1 ATOM 1191 O O . ASP A 1 145 ? 8.161 16.007 53.792 1.00 14.22 ? 145 ASP A O 1 ATOM 1192 C CB . ASP A 1 145 ? 9.784 17.918 55.343 1.00 16.58 ? 145 ASP A CB 1 ATOM 1193 C CG . ASP A 1 145 ? 10.289 18.712 54.150 1.00 18.33 ? 145 ASP A CG 1 ATOM 1194 O OD1 . ASP A 1 145 ? 9.545 18.959 53.170 1.00 19.77 ? 145 ASP A OD1 1 ATOM 1195 O OD2 . ASP A 1 145 ? 11.487 19.098 54.206 1.00 20.19 ? 145 ASP A OD2 1 ATOM 1196 N N . ARG A 1 146 ? 6.749 17.730 53.513 1.00 15.83 ? 146 ARG A N 1 ATOM 1197 C CA . ARG A 1 146 ? 6.097 17.180 52.331 1.00 16.70 ? 146 ARG A CA 1 ATOM 1198 C C . ARG A 1 146 ? 7.094 16.731 51.267 1.00 15.06 ? 146 ARG A C 1 ATOM 1199 O O . ARG A 1 146 ? 6.865 15.750 50.581 1.00 14.09 ? 146 ARG A O 1 ATOM 1200 C CB . ARG A 1 146 ? 5.151 18.230 51.737 1.00 20.76 ? 146 ARG A CB 1 ATOM 1201 C CG . ARG A 1 146 ? 4.628 17.894 50.356 1.00 24.71 ? 146 ARG A CG 1 ATOM 1202 C CD . ARG A 1 146 ? 3.792 19.038 49.780 1.00 28.66 ? 146 ARG A CD 1 ATOM 1203 N NE . ARG A 1 146 ? 2.411 18.939 50.228 1.00 32.37 ? 146 ARG A NE 1 ATOM 1204 C CZ . ARG A 1 146 ? 1.398 18.451 49.513 1.00 34.15 ? 146 ARG A CZ 1 ATOM 1205 N NH1 . ARG A 1 146 ? 1.569 18.017 48.266 1.00 34.43 ? 146 ARG A NH1 1 ATOM 1206 N NH2 . ARG A 1 146 ? 0.192 18.415 50.053 1.00 35.18 ? 146 ARG A NH2 1 ATOM 1207 N N . SER A 1 147 ? 8.182 17.472 51.110 1.00 14.52 ? 147 SER A N 1 ATOM 1208 C CA . SER A 1 147 ? 9.139 17.166 50.057 1.00 15.02 ? 147 SER A CA 1 ATOM 1209 C C . SER A 1 147 ? 10.038 15.970 50.387 1.00 13.48 ? 147 SER A C 1 ATOM 1210 O O . SER A 1 147 ? 10.873 15.585 49.576 1.00 14.12 ? 147 SER A O 1 ATOM 1211 C CB . SER A 1 147 ? 10.003 18.390 49.762 1.00 17.44 ? 147 SER A CB 1 ATOM 1212 O OG . SER A 1 147 ? 10.914 18.635 50.813 1.00 19.96 ? 147 SER A OG 1 ATOM 1213 N N . GLN A 1 148 ? 9.865 15.398 51.572 1.00 11.25 ? 148 GLN A N 1 ATOM 1214 C CA . GLN A 1 148 ? 10.592 14.192 51.966 1.00 10.46 ? 148 GLN A CA 1 ATOM 1215 C C . GLN A 1 148 ? 9.646 13.024 52.217 1.00 9.54 ? 148 GLN A C 1 ATOM 1216 O O . GLN A 1 148 ? 10.085 11.926 52.600 1.00 8.93 ? 148 GLN A O 1 ATOM 1217 C CB . GLN A 1 148 ? 11.404 14.442 53.227 1.00 11.92 ? 148 GLN A CB 1 ATOM 1218 C CG . GLN A 1 148 ? 12.425 15.546 53.088 1.00 13.03 ? 148 GLN A CG 1 ATOM 1219 C CD . GLN A 1 148 ? 13.202 15.744 54.369 1.00 14.71 ? 148 GLN A CD 1 ATOM 1220 O OE1 . GLN A 1 148 ? 12.618 15.906 55.442 1.00 14.20 ? 148 GLN A OE1 1 ATOM 1221 N NE2 . GLN A 1 148 ? 14.524 15.686 54.276 1.00 17.61 ? 148 GLN A NE2 1 ATOM 1222 N N . SER A 1 149 ? 8.356 13.244 51.990 1.00 8.99 ? 149 SER A N 1 ATOM 1223 C CA . SER A 1 149 ? 7.372 12.211 52.260 1.00 9.26 ? 149 SER A CA 1 ATOM 1224 C C . SER A 1 149 ? 7.507 11.047 51.278 1.00 8.77 ? 149 SER A C 1 ATOM 1225 O O . SER A 1 149 ? 7.900 11.210 50.131 1.00 8.92 ? 149 SER A O 1 ATOM 1226 C CB . SER A 1 149 ? 5.957 12.787 52.191 1.00 9.89 ? 149 SER A CB 1 ATOM 1227 O OG . SER A 1 149 ? 5.646 13.237 50.888 1.00 11.11 ? 149 SER A OG 1 ATOM 1228 N N . PHE A 1 150 ? 7.153 9.866 51.742 1.00 8.85 ? 150 PHE A N 1 ATOM 1229 C CA . PHE A 1 150 ? 7.155 8.677 50.912 1.00 7.64 ? 150 PHE A CA 1 ATOM 1230 C C . PHE A 1 150 ? 5.769 8.447 50.324 1.00 7.96 ? 150 PHE A C 1 ATOM 1231 O O . PHE A 1 150 ? 4.779 8.398 51.039 1.00 10.34 ? 150 PHE A O 1 ATOM 1232 C CB . PHE A 1 150 ? 7.584 7.448 51.722 1.00 7.12 ? 150 PHE A CB 1 ATOM 1233 C CG . PHE A 1 150 ? 7.505 6.167 50.942 1.00 6.22 ? 150 PHE A CG 1 ATOM 1234 C CD1 . PHE A 1 150 ? 8.526 5.796 50.095 1.00 7.60 ? 150 PHE A CD1 1 ATOM 1235 C CD2 . PHE A 1 150 ? 6.384 5.343 51.033 1.00 7.18 ? 150 PHE A CD2 1 ATOM 1236 C CE1 . PHE A 1 150 ? 8.438 4.613 49.369 1.00 7.84 ? 150 PHE A CE1 1 ATOM 1237 C CE2 . PHE A 1 150 ? 6.306 4.172 50.314 1.00 8.69 ? 150 PHE A CE2 1 ATOM 1238 C CZ . PHE A 1 150 ? 7.342 3.808 49.475 1.00 7.71 ? 150 PHE A CZ 1 ATOM 1239 N N . VAL A 1 151 ? 5.710 8.335 49.010 1.00 7.47 ? 151 VAL A N 1 ATOM 1240 C CA . VAL A 1 151 ? 4.468 8.035 48.309 1.00 7.81 ? 151 VAL A CA 1 ATOM 1241 C C . VAL A 1 151 ? 4.725 6.717 47.628 1.00 6.74 ? 151 VAL A C 1 ATOM 1242 O O . VAL A 1 151 ? 5.676 6.592 46.880 1.00 7.81 ? 151 VAL A O 1 ATOM 1243 C CB . VAL A 1 151 ? 4.134 9.123 47.274 1.00 8.88 ? 151 VAL A CB 1 ATOM 1244 C CG1 . VAL A 1 151 ? 2.787 8.849 46.600 1.00 9.19 ? 151 VAL A CG1 1 ATOM 1245 C CG2 . VAL A 1 151 ? 4.114 10.479 47.958 1.00 10.11 ? 151 VAL A CG2 1 ATOM 1246 N N . GLY A 1 152 ? 3.877 5.737 47.880 1.00 6.57 ? 152 GLY A N 1 ATOM 1247 C CA . GLY A 1 152 ? 4.054 4.402 47.335 1.00 7.19 ? 152 GLY A CA 1 ATOM 1248 C C . GLY A 1 152 ? 3.693 3.344 48.353 1.00 6.81 ? 152 GLY A C 1 ATOM 1249 O O . GLY A 1 152 ? 2.872 3.580 49.240 1.00 7.24 ? 152 GLY A O 1 ATOM 1250 N N . GLU A 1 153 ? 4.284 2.163 48.210 1.00 6.27 ? 153 GLU A N 1 ATOM 1251 C CA . GLU A 1 153 ? 3.896 1.001 49.005 1.00 6.52 ? 153 GLU A CA 1 ATOM 1252 C C . GLU A 1 153 ? 5.097 0.451 49.728 1.00 5.73 ? 153 GLU A C 1 ATOM 1253 O O . GLU A 1 153 ? 6.197 0.378 49.168 1.00 6.30 ? 153 GLU A O 1 ATOM 1254 C CB . GLU A 1 153 ? 3.301 -0.079 48.090 1.00 8.01 ? 153 GLU A CB 1 ATOM 1255 C CG . GLU A 1 153 ? 2.184 0.477 47.195 1.00 8.25 ? 153 GLU A CG 1 ATOM 1256 C CD . GLU A 1 153 ? 1.544 -0.564 46.290 1.00 8.98 ? 153 GLU A CD 1 ATOM 1257 O OE1 . GLU A 1 153 ? 1.364 -1.702 46.770 1.00 9.56 ? 153 GLU A OE1 1 ATOM 1258 O OE2 . GLU A 1 153 ? 1.225 -0.242 45.112 1.00 10.66 ? 153 GLU A OE2 1 ATOM 1259 N N . ILE A 1 154 ? 4.895 0.061 50.991 1.00 5.17 ? 154 ILE A N 1 ATOM 1260 C CA . ILE A 1 154 ? 5.937 -0.619 51.775 1.00 6.06 ? 154 ILE A CA 1 ATOM 1261 C C . ILE A 1 154 ? 5.386 -1.860 52.440 1.00 6.33 ? 154 ILE A C 1 ATOM 1262 O O . ILE A 1 154 ? 4.287 -1.837 53.000 1.00 7.87 ? 154 ILE A O 1 ATOM 1263 C CB . ILE A 1 154 ? 6.507 0.290 52.894 1.00 9.30 ? 154 ILE A CB 1 ATOM 1264 C CG1 . ILE A 1 154 ? 7.206 1.506 52.299 1.00 10.86 ? 154 ILE A CG1 1 ATOM 1265 C CG2 . ILE A 1 154 ? 7.455 -0.498 53.812 1.00 10.40 ? 154 ILE A CG2 1 ATOM 1266 C CD1 . ILE A 1 154 ? 7.641 2.556 53.309 1.00 12.12 ? 154 ILE A CD1 1 ATOM 1267 N N . GLY A 1 155 ? 6.132 -2.956 52.368 1.00 7.09 ? 155 GLY A N 1 ATOM 1268 C CA . GLY A 1 155 ? 5.750 -4.151 53.106 1.00 8.76 ? 155 GLY A CA 1 ATOM 1269 C C . GLY A 1 155 ? 6.937 -4.966 53.550 1.00 7.44 ? 155 GLY A C 1 ATOM 1270 O O . GLY A 1 155 ? 8.092 -4.584 53.377 1.00 6.88 ? 155 GLY A O 1 ATOM 1271 N N . ASP A 1 156 ? 6.641 -6.100 54.165 1.00 7.33 ? 156 ASP A N 1 ATOM 1272 C CA . ASP A 1 156 ? 7.656 -7.091 54.542 1.00 7.01 ? 156 ASP A CA 1 ATOM 1273 C C . ASP A 1 156 ? 8.798 -6.454 55.347 1.00 6.22 ? 156 ASP A C 1 ATOM 1274 O O . ASP A 1 156 ? 9.977 -6.682 55.079 1.00 6.81 ? 156 ASP A O 1 ATOM 1275 C CB . ASP A 1 156 ? 8.207 -7.790 53.291 1.00 8.70 ? 156 ASP A CB 1 ATOM 1276 C CG . ASP A 1 156 ? 7.189 -8.685 52.645 1.00 13.22 ? 156 ASP A CG 1 ATOM 1277 O OD1 . ASP A 1 156 ? 6.174 -8.996 53.302 1.00 15.40 ? 156 ASP A OD1 1 ATOM 1278 O OD2 . ASP A 1 156 ? 7.404 -9.090 51.487 1.00 14.95 ? 156 ASP A OD2 1 ATOM 1279 N N . LEU A 1 157 ? 8.434 -5.658 56.333 1.00 5.86 ? 157 LEU A N 1 ATOM 1280 C CA . LEU A 1 157 ? 9.414 -4.957 57.158 1.00 5.14 ? 157 LEU A CA 1 ATOM 1281 C C . LEU A 1 157 ? 9.756 -5.760 58.407 1.00 5.95 ? 157 LEU A C 1 ATOM 1282 O O . LEU A 1 157 ? 8.864 -6.185 59.155 1.00 6.73 ? 157 LEU A O 1 ATOM 1283 C CB . LEU A 1 157 ? 8.913 -3.569 57.537 1.00 6.23 ? 157 LEU A CB 1 ATOM 1284 C CG . LEU A 1 157 ? 9.952 -2.660 58.220 1.00 7.80 ? 157 LEU A CG 1 ATOM 1285 C CD1 . LEU A 1 157 ? 9.736 -1.184 57.920 1.00 9.04 ? 157 LEU A CD1 1 ATOM 1286 C CD2 . LEU A 1 157 ? 9.962 -2.874 59.739 1.00 9.44 ? 157 LEU A CD2 1 ATOM 1287 N N . TYR A 1 158 ? 11.048 -5.962 58.627 1.00 5.25 ? 158 TYR A N 1 ATOM 1288 C CA . TYR A 1 158 ? 11.588 -6.692 59.772 1.00 5.15 ? 158 TYR A CA 1 ATOM 1289 C C . TYR A 1 158 ? 12.803 -5.952 60.291 1.00 5.64 ? 158 TYR A C 1 ATOM 1290 O O . TYR A 1 158 ? 13.601 -5.416 59.517 1.00 6.41 ? 158 TYR A O 1 ATOM 1291 C CB . TYR A 1 158 ? 12.006 -8.104 59.349 1.00 6.54 ? 158 TYR A CB 1 ATOM 1292 C CG . TYR A 1 158 ? 10.872 -8.917 58.814 1.00 7.54 ? 158 TYR A CG 1 ATOM 1293 C CD1 . TYR A 1 158 ? 10.070 -9.652 59.675 1.00 8.33 ? 158 TYR A CD1 1 ATOM 1294 C CD2 . TYR A 1 158 ? 10.548 -8.912 57.460 1.00 7.64 ? 158 TYR A CD2 1 ATOM 1295 C CE1 . TYR A 1 158 ? 9.010 -10.385 59.209 1.00 9.39 ? 158 TYR A CE1 1 ATOM 1296 C CE2 . TYR A 1 158 ? 9.466 -9.648 56.989 1.00 8.80 ? 158 TYR A CE2 1 ATOM 1297 C CZ . TYR A 1 158 ? 8.695 -10.375 57.870 1.00 9.76 ? 158 TYR A CZ 1 ATOM 1298 O OH . TYR A 1 158 ? 7.602 -11.130 57.450 1.00 11.85 ? 158 TYR A OH 1 ATOM 1299 N N . MET A 1 159 ? 12.974 -5.936 61.607 1.00 5.66 ? 159 MET A N 1 ATOM 1300 C CA . MET A 1 159 ? 14.152 -5.361 62.211 1.00 6.28 ? 159 MET A CA 1 ATOM 1301 C C . MET A 1 159 ? 14.626 -6.288 63.334 1.00 5.77 ? 159 MET A C 1 ATOM 1302 O O . MET A 1 159 ? 13.841 -6.681 64.204 1.00 7.04 ? 159 MET A O 1 ATOM 1303 C CB . MET A 1 159 ? 13.883 -3.970 62.734 1.00 6.89 ? 159 MET A CB 1 ATOM 1304 C CG . MET A 1 159 ? 15.140 -3.210 63.158 1.00 8.58 ? 159 MET A CG 1 ATOM 1305 S SD . MET A 1 159 ? 14.749 -1.514 63.622 1.00 10.93 ? 159 MET A SD 1 ATOM 1306 C CE . MET A 1 159 ? 16.369 -0.858 64.051 1.00 11.86 ? 159 MET A CE 1 ATOM 1307 N N . TRP A 1 160 ? 15.897 -6.637 63.288 1.00 5.98 ? 160 TRP A N 1 ATOM 1308 C CA . TRP A 1 160 ? 16.585 -7.516 64.221 1.00 6.50 ? 160 TRP A CA 1 ATOM 1309 C C . TRP A 1 160 ? 17.631 -6.757 64.979 1.00 6.56 ? 160 TRP A C 1 ATOM 1310 O O . TRP A 1 160 ? 18.281 -5.882 64.436 1.00 7.54 ? 160 TRP A O 1 ATOM 1311 C CB . TRP A 1 160 ? 17.316 -8.621 63.454 1.00 6.87 ? 160 TRP A CB 1 ATOM 1312 C CG . TRP A 1 160 ? 16.486 -9.553 62.621 1.00 7.76 ? 160 TRP A CG 1 ATOM 1313 C CD1 . TRP A 1 160 ? 16.053 -10.784 62.991 1.00 7.84 ? 160 TRP A CD1 1 ATOM 1314 C CD2 . TRP A 1 160 ? 16.032 -9.373 61.256 1.00 7.41 ? 160 TRP A CD2 1 ATOM 1315 N NE1 . TRP A 1 160 ? 15.350 -11.377 61.979 1.00 7.89 ? 160 TRP A NE1 1 ATOM 1316 C CE2 . TRP A 1 160 ? 15.317 -10.532 60.902 1.00 7.60 ? 160 TRP A CE2 1 ATOM 1317 C CE3 . TRP A 1 160 ? 16.152 -8.346 60.304 1.00 7.30 ? 160 TRP A CE3 1 ATOM 1318 C CZ2 . TRP A 1 160 ? 14.748 -10.700 59.641 1.00 8.07 ? 160 TRP A CZ2 1 ATOM 1319 C CZ3 . TRP A 1 160 ? 15.582 -8.526 59.054 1.00 7.18 ? 160 TRP A CZ3 1 ATOM 1320 C CH2 . TRP A 1 160 ? 14.878 -9.689 58.743 1.00 8.05 ? 160 TRP A CH2 1 ATOM 1321 N N . ASP A 1 161 ? 17.891 -7.163 66.218 1.00 8.21 ? 161 ASP A N 1 ATOM 1322 C CA . ASP A 1 161 ? 18.961 -6.558 67.032 1.00 8.61 ? 161 ASP A CA 1 ATOM 1323 C C . ASP A 1 161 ? 20.339 -7.199 66.839 1.00 9.41 ? 161 ASP A C 1 ATOM 1324 O O . ASP A 1 161 ? 21.192 -7.151 67.731 1.00 11.48 ? 161 ASP A O 1 ATOM 1325 C CB . ASP A 1 161 ? 18.577 -6.535 68.522 1.00 11.37 ? 161 ASP A CB 1 ATOM 1326 C CG . ASP A 1 161 ? 18.719 -7.890 69.194 1.00 14.07 ? 161 ASP A CG 1 ATOM 1327 O OD1 . ASP A 1 161 ? 18.843 -8.932 68.528 1.00 13.45 ? 161 ASP A OD1 1 ATOM 1328 O OD2 . ASP A 1 161 ? 18.696 -7.915 70.446 1.00 17.88 ? 161 ASP A OD2 1 ATOM 1329 N N . SER A 1 162 ? 20.568 -7.752 65.656 1.00 8.55 ? 162 SER A N 1 ATOM 1330 C CA . SER A 1 162 ? 21.835 -8.365 65.305 1.00 9.53 ? 162 SER A CA 1 ATOM 1331 C C . SER A 1 162 ? 22.129 -8.064 63.846 1.00 8.20 ? 162 SER A C 1 ATOM 1332 O O . SER A 1 162 ? 21.244 -7.645 63.108 1.00 8.42 ? 162 SER A O 1 ATOM 1333 C CB . SER A 1 162 ? 21.776 -9.876 65.539 1.00 10.75 ? 162 SER A CB 1 ATOM 1334 O OG . SER A 1 162 ? 20.766 -10.494 64.755 1.00 12.39 ? 162 SER A OG 1 ATOM 1335 N N . VAL A 1 163 ? 23.360 -8.341 63.427 1.00 8.35 ? 163 VAL A N 1 ATOM 1336 C CA . VAL A 1 163 ? 23.763 -8.221 62.043 1.00 9.34 ? 163 VAL A CA 1 ATOM 1337 C C . VAL A 1 163 ? 23.544 -9.563 61.360 1.00 9.03 ? 163 VAL A C 1 ATOM 1338 O O . VAL A 1 163 ? 24.198 -10.547 61.681 1.00 10.43 ? 163 VAL A O 1 ATOM 1339 C CB . VAL A 1 163 ? 25.230 -7.784 61.926 1.00 10.22 ? 163 VAL A CB 1 ATOM 1340 C CG1 . VAL A 1 163 ? 25.685 -7.773 60.468 1.00 10.85 ? 163 VAL A CG1 1 ATOM 1341 C CG2 . VAL A 1 163 ? 25.405 -6.407 62.524 1.00 11.22 ? 163 VAL A CG2 1 ATOM 1342 N N . LEU A 1 164 ? 22.649 -9.600 60.380 1.00 8.57 ? 164 LEU A N 1 ATOM 1343 C CA . LEU A 1 164 ? 22.322 -10.859 59.723 1.00 9.78 ? 164 LEU A CA 1 ATOM 1344 C C . LEU A 1 164 ? 23.439 -11.255 58.755 1.00 9.41 ? 164 LEU A C 1 ATOM 1345 O O . LEU A 1 164 ? 23.937 -10.414 58.009 1.00 10.29 ? 164 LEU A O 1 ATOM 1346 C CB . LEU A 1 164 ? 21.019 -10.725 58.929 1.00 10.83 ? 164 LEU A CB 1 ATOM 1347 C CG . LEU A 1 164 ? 19.698 -10.611 59.697 1.00 13.06 ? 164 LEU A CG 1 ATOM 1348 C CD1 . LEU A 1 164 ? 18.546 -10.741 58.701 1.00 12.44 ? 164 LEU A CD1 1 ATOM 1349 C CD2 . LEU A 1 164 ? 19.546 -11.623 60.802 1.00 14.90 ? 164 LEU A CD2 1 ATOM 1350 N N . PRO A 1 165 ? 23.783 -12.549 58.722 1.00 11.31 ? 165 PRO A N 1 ATOM 1351 C CA . PRO A 1 165 ? 24.674 -13.040 57.670 1.00 11.08 ? 165 PRO A CA 1 ATOM 1352 C C . PRO A 1 165 ? 23.958 -13.110 56.318 1.00 10.48 ? 165 PRO A C 1 ATOM 1353 O O . PRO A 1 165 ? 22.720 -13.057 56.250 1.00 9.88 ? 165 PRO A O 1 ATOM 1354 C CB . PRO A 1 165 ? 25.059 -14.441 58.162 1.00 11.92 ? 165 PRO A CB 1 ATOM 1355 C CG . PRO A 1 165 ? 23.859 -14.895 58.925 1.00 12.40 ? 165 PRO A CG 1 ATOM 1356 C CD . PRO A 1 165 ? 23.354 -13.627 59.630 1.00 11.93 ? 165 PRO A CD 1 ATOM 1357 N N . PRO A 1 166 ? 24.733 -13.239 55.244 1.00 9.75 ? 166 PRO A N 1 ATOM 1358 C CA . PRO A 1 166 ? 24.152 -13.236 53.897 1.00 9.72 ? 166 PRO A CA 1 ATOM 1359 C C . PRO A 1 166 ? 23.002 -14.220 53.700 1.00 9.93 ? 166 PRO A C 1 ATOM 1360 O O . PRO A 1 166 ? 22.007 -13.888 53.063 1.00 10.21 ? 166 PRO A O 1 ATOM 1361 C CB . PRO A 1 166 ? 25.351 -13.572 53.008 1.00 10.72 ? 166 PRO A CB 1 ATOM 1362 C CG . PRO A 1 166 ? 26.499 -12.995 53.742 1.00 11.39 ? 166 PRO A CG 1 ATOM 1363 C CD . PRO A 1 166 ? 26.207 -13.239 55.197 1.00 10.56 ? 166 PRO A CD 1 ATOM 1364 N N . GLU A 1 167 ? 23.126 -15.421 54.238 1.00 9.70 ? 167 GLU A N 1 ATOM 1365 C CA . GLU A 1 167 ? 22.079 -16.412 54.018 1.00 10.84 ? 167 GLU A CA 1 ATOM 1366 C C . GLU A 1 167 ? 20.725 -15.954 54.577 1.00 9.91 ? 167 GLU A C 1 ATOM 1367 O O . GLU A 1 167 ? 19.683 -16.212 53.979 1.00 10.78 ? 167 GLU A O 1 ATOM 1368 C CB . GLU A 1 167 ? 22.485 -17.772 54.594 1.00 14.78 ? 167 GLU A CB 1 ATOM 1369 C CG . GLU A 1 167 ? 22.958 -17.752 56.052 1.00 18.63 ? 167 GLU A CG 1 ATOM 1370 C CD . GLU A 1 167 ? 24.492 -17.594 56.237 1.00 21.19 ? 167 GLU A CD 1 ATOM 1371 O OE1 . GLU A 1 167 ? 25.161 -16.804 55.492 1.00 19.70 ? 167 GLU A OE1 1 ATOM 1372 O OE2 . GLU A 1 167 ? 25.025 -18.271 57.165 1.00 23.84 ? 167 GLU A OE2 1 ATOM 1373 N N . ASN A 1 168 ? 20.748 -15.265 55.709 1.00 9.13 ? 168 ASN A N 1 ATOM 1374 C CA . ASN A 1 168 ? 19.515 -14.805 56.335 1.00 9.04 ? 168 ASN A CA 1 ATOM 1375 C C . ASN A 1 168 ? 18.958 -13.599 55.589 1.00 7.90 ? 168 ASN A C 1 ATOM 1376 O O . ASN A 1 168 ? 17.761 -13.426 55.534 1.00 8.41 ? 168 ASN A O 1 ATOM 1377 C CB . ASN A 1 168 ? 19.728 -14.397 57.796 1.00 11.12 ? 168 ASN A CB 1 ATOM 1378 C CG . ASN A 1 168 ? 20.115 -15.534 58.714 1.00 13.70 ? 168 ASN A CG 1 ATOM 1379 O OD1 . ASN A 1 168 ? 20.580 -15.265 59.808 1.00 15.44 ? 168 ASN A OD1 1 ATOM 1380 N ND2 . ASN A 1 168 ? 19.911 -16.777 58.313 1.00 14.03 ? 168 ASN A ND2 1 ATOM 1381 N N . ILE A 1 169 ? 19.835 -12.772 55.003 1.00 7.60 ? 169 ILE A N 1 ATOM 1382 C CA . ILE A 1 169 ? 19.385 -11.662 54.147 1.00 8.08 ? 169 ILE A CA 1 ATOM 1383 C C . ILE A 1 169 ? 18.696 -12.210 52.904 1.00 8.10 ? 169 ILE A C 1 ATOM 1384 O O . ILE A 1 169 ? 17.610 -11.763 52.527 1.00 7.91 ? 169 ILE A O 1 ATOM 1385 C CB . ILE A 1 169 ? 20.561 -10.730 53.756 1.00 9.53 ? 169 ILE A CB 1 ATOM 1386 C CG1 . ILE A 1 169 ? 21.110 -10.053 55.004 1.00 12.47 ? 169 ILE A CG1 1 ATOM 1387 C CG2 . ILE A 1 169 ? 20.125 -9.698 52.713 1.00 9.82 ? 169 ILE A CG2 1 ATOM 1388 C CD1 . ILE A 1 169 ? 22.397 -9.356 54.797 1.00 14.70 ? 169 ILE A CD1 1 ATOM 1389 N N . LEU A 1 170 ? 19.302 -13.225 52.303 1.00 8.92 ? 170 LEU A N 1 ATOM 1390 C CA . LEU A 1 170 ? 18.700 -13.814 51.124 1.00 10.96 ? 170 LEU A CA 1 ATOM 1391 C C . LEU A 1 170 ? 17.360 -14.484 51.448 1.00 10.10 ? 170 LEU A C 1 ATOM 1392 O O . LEU A 1 170 ? 16.407 -14.383 50.675 1.00 10.19 ? 170 LEU A O 1 ATOM 1393 C CB . LEU A 1 170 ? 19.669 -14.775 50.431 1.00 13.80 ? 170 LEU A CB 1 ATOM 1394 C CG . LEU A 1 170 ? 20.891 -14.094 49.804 1.00 18.89 ? 170 LEU A CG 1 ATOM 1395 C CD1 . LEU A 1 170 ? 21.745 -15.127 49.088 1.00 21.06 ? 170 LEU A CD1 1 ATOM 1396 C CD2 . LEU A 1 170 ? 20.479 -12.980 48.858 1.00 20.75 ? 170 LEU A CD2 1 ATOM 1397 N N . SER A 1 171 ? 17.263 -15.114 52.607 1.00 9.52 ? 171 SER A N 1 ATOM 1398 C CA . SER A 1 171 ? 15.998 -15.682 53.043 1.00 10.88 ? 171 SER A CA 1 ATOM 1399 C C . SER A 1 171 ? 14.914 -14.606 53.142 1.00 9.77 ? 171 SER A C 1 ATOM 1400 O O . SER A 1 171 ? 13.792 -14.807 52.685 1.00 10.07 ? 171 SER A O 1 ATOM 1401 C CB . SER A 1 171 ? 16.180 -16.341 54.391 1.00 13.06 ? 171 SER A CB 1 ATOM 1402 O OG . SER A 1 171 ? 16.863 -17.560 54.213 1.00 15.38 ? 171 SER A OG 1 ATOM 1403 N N . ALA A 1 172 ? 15.247 -13.456 53.710 1.00 8.57 ? 172 ALA A N 1 ATOM 1404 C CA . ALA A 1 172 ? 14.275 -12.366 53.740 1.00 8.55 ? 172 ALA A CA 1 ATOM 1405 C C . ALA A 1 172 ? 13.871 -11.930 52.321 1.00 8.65 ? 172 ALA A C 1 ATOM 1406 O O . ALA A 1 172 ? 12.692 -11.759 52.010 1.00 8.74 ? 172 ALA A O 1 ATOM 1407 C CB . ALA A 1 172 ? 14.811 -11.193 54.539 1.00 9.77 ? 172 ALA A CB 1 ATOM 1408 N N . TYR A 1 173 ? 14.866 -11.746 51.464 1.00 7.84 ? 173 TYR A N 1 ATOM 1409 C CA . TYR A 1 173 ? 14.601 -11.332 50.092 1.00 8.95 ? 173 TYR A CA 1 ATOM 1410 C C . TYR A 1 173 ? 13.649 -12.305 49.396 1.00 10.15 ? 173 TYR A C 1 ATOM 1411 O O . TYR A 1 173 ? 12.719 -11.880 48.687 1.00 10.80 ? 173 TYR A O 1 ATOM 1412 C CB . TYR A 1 173 ? 15.923 -11.213 49.328 1.00 10.13 ? 173 TYR A CB 1 ATOM 1413 C CG . TYR A 1 173 ? 15.789 -10.953 47.843 1.00 11.52 ? 173 TYR A CG 1 ATOM 1414 C CD1 . TYR A 1 173 ? 14.998 -9.923 47.359 1.00 12.05 ? 173 TYR A CD1 1 ATOM 1415 C CD2 . TYR A 1 173 ? 16.466 -11.732 46.934 1.00 12.73 ? 173 TYR A CD2 1 ATOM 1416 C CE1 . TYR A 1 173 ? 14.878 -9.678 46.011 1.00 12.80 ? 173 TYR A CE1 1 ATOM 1417 C CE2 . TYR A 1 173 ? 16.362 -11.493 45.576 1.00 13.60 ? 173 TYR A CE2 1 ATOM 1418 C CZ . TYR A 1 173 ? 15.559 -10.461 45.124 1.00 13.97 ? 173 TYR A CZ 1 ATOM 1419 O OH . TYR A 1 173 ? 15.434 -10.193 43.767 1.00 16.73 ? 173 TYR A OH 1 ATOM 1420 N N . GLN A 1 174 ? 13.868 -13.601 49.627 1.00 10.88 ? 174 GLN A N 1 ATOM 1421 C CA . GLN A 1 174 ? 13.104 -14.662 48.966 1.00 14.20 ? 174 GLN A CA 1 ATOM 1422 C C . GLN A 1 174 ? 11.738 -14.924 49.591 1.00 15.03 ? 174 GLN A C 1 ATOM 1423 O O . GLN A 1 174 ? 10.966 -15.697 49.061 1.00 17.39 ? 174 GLN A O 1 ATOM 1424 C CB . GLN A 1 174 ? 13.919 -15.952 48.974 1.00 17.28 ? 174 GLN A CB 1 ATOM 1425 C CG . GLN A 1 174 ? 15.212 -15.868 48.150 1.00 21.36 ? 174 GLN A CG 1 ATOM 1426 C CD . GLN A 1 174 ? 16.214 -16.979 48.481 1.00 25.53 ? 174 GLN A CD 1 ATOM 1427 O OE1 . GLN A 1 174 ? 15.911 -17.917 49.232 1.00 27.08 ? 174 GLN A OE1 1 ATOM 1428 N NE2 . GLN A 1 174 ? 17.416 -16.869 47.922 1.00 27.10 ? 174 GLN A NE2 1 ATOM 1429 N N . GLY A 1 175 ? 11.445 -14.308 50.728 1.00 14.54 ? 175 GLY A N 1 ATOM 1430 C CA . GLY A 1 175 ? 10.129 -14.427 51.323 1.00 14.65 ? 175 GLY A CA 1 ATOM 1431 C C . GLY A 1 175 ? 10.030 -15.363 52.508 1.00 15.49 ? 175 GLY A C 1 ATOM 1432 O O . GLY A 1 175 ? 8.928 -15.686 52.948 1.00 16.59 ? 175 GLY A O 1 ATOM 1433 N N . THR A 1 176 ? 11.172 -15.772 53.052 1.00 14.33 ? 176 THR A N 1 ATOM 1434 C CA . THR A 1 176 ? 11.182 -16.595 54.259 1.00 15.34 ? 176 THR A CA 1 ATOM 1435 C C . THR A 1 176 ? 12.098 -16.007 55.330 1.00 13.48 ? 176 THR A C 1 ATOM 1436 O O . THR A 1 176 ? 13.083 -16.621 55.741 1.00 13.04 ? 176 THR A O 1 ATOM 1437 C CB . THR A 1 176 ? 11.612 -18.019 53.937 1.00 17.89 ? 176 THR A CB 1 ATOM 1438 O OG1 . THR A 1 176 ? 12.846 -17.993 53.212 1.00 19.84 ? 176 THR A OG1 1 ATOM 1439 C CG2 . THR A 1 176 ? 10.546 -18.706 53.090 1.00 18.84 ? 176 THR A CG2 1 ATOM 1440 N N . PRO A 1 177 ? 11.768 -14.804 55.788 1.00 11.74 ? 177 PRO A N 1 ATOM 1441 C CA . PRO A 1 177 ? 12.606 -14.142 56.785 1.00 11.49 ? 177 PRO A CA 1 ATOM 1442 C C . PRO A 1 177 ? 12.606 -14.879 58.099 1.00 12.10 ? 177 PRO A C 1 ATOM 1443 O O . PRO A 1 177 ? 11.619 -15.498 58.482 1.00 13.96 ? 177 PRO A O 1 ATOM 1444 C CB . PRO A 1 177 ? 11.931 -12.773 56.965 1.00 12.27 ? 177 PRO A CB 1 ATOM 1445 C CG . PRO A 1 177 ? 10.514 -13.012 56.530 1.00 13.15 ? 177 PRO A CG 1 ATOM 1446 C CD . PRO A 1 177 ? 10.594 -13.992 55.425 1.00 12.09 ? 177 PRO A CD 1 ATOM 1447 N N . LEU A 1 178 ? 13.719 -14.776 58.799 1.00 12.19 ? 178 LEU A N 1 ATOM 1448 C CA . LEU A 1 178 ? 13.798 -15.256 60.165 1.00 12.75 ? 178 LEU A CA 1 ATOM 1449 C C . LEU A 1 178 ? 12.949 -14.378 61.069 1.00 12.18 ? 178 LEU A C 1 ATOM 1450 O O . LEU A 1 178 ? 12.773 -13.207 60.807 1.00 12.75 ? 178 LEU A O 1 ATOM 1451 C CB . LEU A 1 178 ? 15.247 -15.233 60.645 1.00 15.68 ? 178 LEU A CB 1 ATOM 1452 C CG . LEU A 1 178 ? 16.177 -16.359 60.179 1.00 19.60 ? 178 LEU A CG 1 ATOM 1453 C CD1 . LEU A 1 178 ? 16.298 -16.459 58.655 1.00 20.33 ? 178 LEU A CD1 1 ATOM 1454 C CD2 . LEU A 1 178 ? 17.549 -16.146 60.812 1.00 21.18 ? 178 LEU A CD2 1 ATOM 1455 N N . PRO A 1 179 ? 12.409 -14.939 62.152 1.00 12.50 ? 179 PRO A N 1 ATOM 1456 C CA . PRO A 1 179 ? 11.680 -14.084 63.092 1.00 11.85 ? 179 PRO A CA 1 ATOM 1457 C C . PRO A 1 179 ? 12.551 -12.922 63.610 1.00 10.94 ? 179 PRO A C 1 ATOM 1458 O O . PRO A 1 179 ? 13.764 -13.083 63.786 1.00 11.92 ? 179 PRO A O 1 ATOM 1459 C CB . PRO A 1 179 ? 11.318 -15.041 64.226 1.00 14.18 ? 179 PRO A CB 1 ATOM 1460 C CG . PRO A 1 179 ? 11.449 -16.420 63.631 1.00 15.32 ? 179 PRO A CG 1 ATOM 1461 C CD . PRO A 1 179 ? 12.502 -16.339 62.594 1.00 13.92 ? 179 PRO A CD 1 ATOM 1462 N N . ALA A 1 180 ? 11.935 -11.770 63.833 1.00 9.26 ? 180 ALA A N 1 ATOM 1463 C CA . ALA A 1 180 ? 12.670 -10.529 64.084 1.00 9.34 ? 180 ALA A CA 1 ATOM 1464 C C . ALA A 1 180 ? 12.206 -9.879 65.375 1.00 10.19 ? 180 ALA A C 1 ATOM 1465 O O . ALA A 1 180 ? 10.996 -9.653 65.586 1.00 12.31 ? 180 ALA A O 1 ATOM 1466 C CB . ALA A 1 180 ? 12.470 -9.590 62.916 1.00 9.68 ? 180 ALA A CB 1 ATOM 1467 N N . ASN A 1 181 ? 13.169 -9.572 66.231 1.00 9.06 ? 181 ASN A N 1 ATOM 1468 C CA . ASN A 1 181 ? 12.877 -9.200 67.615 1.00 8.71 ? 181 ASN A CA 1 ATOM 1469 C C . ASN A 1 181 ? 12.723 -7.710 67.931 1.00 9.35 ? 181 ASN A C 1 ATOM 1470 O O . ASN A 1 181 ? 12.379 -7.365 69.063 1.00 11.84 ? 181 ASN A O 1 ATOM 1471 C CB . ASN A 1 181 ? 13.878 -9.859 68.576 1.00 10.35 ? 181 ASN A CB 1 ATOM 1472 C CG . ASN A 1 181 ? 15.316 -9.472 68.313 1.00 12.15 ? 181 ASN A CG 1 ATOM 1473 O OD1 . ASN A 1 181 ? 15.612 -8.593 67.520 1.00 11.82 ? 181 ASN A OD1 1 ATOM 1474 N ND2 . ASN A 1 181 ? 16.230 -10.123 69.017 1.00 13.62 ? 181 ASN A ND2 1 ATOM 1475 N N . ILE A 1 182 ? 12.937 -6.819 66.958 1.00 8.04 ? 182 ILE A N 1 ATOM 1476 C CA . ILE A 1 182 ? 12.621 -5.406 67.152 1.00 8.31 ? 182 ILE A CA 1 ATOM 1477 C C . ILE A 1 182 ? 11.305 -5.036 66.468 1.00 8.49 ? 182 ILE A C 1 ATOM 1478 O O . ILE A 1 182 ? 10.418 -4.454 67.093 1.00 10.20 ? 182 ILE A O 1 ATOM 1479 C CB . ILE A 1 182 ? 13.766 -4.490 66.666 1.00 9.93 ? 182 ILE A CB 1 ATOM 1480 C CG1 . ILE A 1 182 ? 15.043 -4.783 67.450 1.00 10.40 ? 182 ILE A CG1 1 ATOM 1481 C CG2 . ILE A 1 182 ? 13.391 -3.032 66.844 1.00 11.47 ? 182 ILE A CG2 1 ATOM 1482 C CD1 . ILE A 1 182 ? 16.248 -3.934 67.027 1.00 11.37 ? 182 ILE A CD1 1 ATOM 1483 N N . LEU A 1 183 ? 11.191 -5.360 65.184 1.00 8.00 ? 183 LEU A N 1 ATOM 1484 C CA . LEU A 1 183 ? 9.957 -5.158 64.428 1.00 7.46 ? 183 LEU A CA 1 ATOM 1485 C C . LEU A 1 183 ? 9.724 -6.391 63.561 1.00 7.41 ? 183 LEU A C 1 ATOM 1486 O O . LEU A 1 183 ? 10.658 -6.898 62.965 1.00 7.40 ? 183 LEU A O 1 ATOM 1487 C CB . LEU A 1 183 ? 10.030 -3.921 63.539 1.00 7.98 ? 183 LEU A CB 1 ATOM 1488 C CG . LEU A 1 183 ? 10.127 -2.571 64.244 1.00 8.47 ? 183 LEU A CG 1 ATOM 1489 C CD1 . LEU A 1 183 ? 10.461 -1.487 63.267 1.00 9.29 ? 183 LEU A CD1 1 ATOM 1490 C CD2 . LEU A 1 183 ? 8.822 -2.271 65.026 1.00 9.74 ? 183 LEU A CD2 1 ATOM 1491 N N . ASP A 1 184 ? 8.490 -6.870 63.482 1.00 7.71 ? 184 ASP A N 1 ATOM 1492 C CA . ASP A 1 184 ? 8.201 -8.071 62.711 1.00 7.94 ? 184 ASP A CA 1 ATOM 1493 C C . ASP A 1 184 ? 6.872 -7.905 61.989 1.00 7.52 ? 184 ASP A C 1 ATOM 1494 O O . ASP A 1 184 ? 5.831 -7.747 62.612 1.00 8.42 ? 184 ASP A O 1 ATOM 1495 C CB . ASP A 1 184 ? 8.200 -9.282 63.674 1.00 10.07 ? 184 ASP A CB 1 ATOM 1496 C CG . ASP A 1 184 ? 8.216 -10.631 62.960 1.00 12.98 ? 184 ASP A CG 1 ATOM 1497 O OD1 . ASP A 1 184 ? 7.507 -10.787 61.971 1.00 13.42 ? 184 ASP A OD1 1 ATOM 1498 O OD2 . ASP A 1 184 ? 8.926 -11.571 63.399 1.00 15.16 ? 184 ASP A OD2 1 ATOM 1499 N N . TRP A 1 185 ? 6.930 -7.931 60.665 1.00 7.40 ? 185 TRP A N 1 ATOM 1500 C CA . TRP A 1 185 ? 5.752 -7.793 59.819 1.00 7.48 ? 185 TRP A CA 1 ATOM 1501 C C . TRP A 1 185 ? 4.647 -8.804 60.149 1.00 8.46 ? 185 TRP A C 1 ATOM 1502 O O . TRP A 1 185 ? 3.463 -8.527 59.896 1.00 9.10 ? 185 TRP A O 1 ATOM 1503 C CB . TRP A 1 185 ? 6.161 -7.935 58.352 1.00 7.11 ? 185 TRP A CB 1 ATOM 1504 C CG . TRP A 1 185 ? 5.229 -7.315 57.368 1.00 7.02 ? 185 TRP A CG 1 ATOM 1505 C CD1 . TRP A 1 185 ? 4.480 -7.972 56.410 1.00 7.91 ? 185 TRP A CD1 1 ATOM 1506 C CD2 . TRP A 1 185 ? 4.932 -5.922 57.228 1.00 7.25 ? 185 TRP A CD2 1 ATOM 1507 N NE1 . TRP A 1 185 ? 3.771 -7.055 55.676 1.00 8.53 ? 185 TRP A NE1 1 ATOM 1508 C CE2 . TRP A 1 185 ? 4.023 -5.795 56.156 1.00 7.38 ? 185 TRP A CE2 1 ATOM 1509 C CE3 . TRP A 1 185 ? 5.368 -4.768 57.883 1.00 8.27 ? 185 TRP A CE3 1 ATOM 1510 C CZ2 . TRP A 1 185 ? 3.527 -4.551 55.738 1.00 8.52 ? 185 TRP A CZ2 1 ATOM 1511 C CZ3 . TRP A 1 185 ? 4.878 -3.533 57.465 1.00 8.70 ? 185 TRP A CZ3 1 ATOM 1512 C CH2 . TRP A 1 185 ? 3.959 -3.443 56.404 1.00 9.05 ? 185 TRP A CH2 1 ATOM 1513 N N . GLN A 1 186 ? 5.029 -9.957 60.715 1.00 8.34 ? 186 GLN A N 1 ATOM 1514 C CA . GLN A 1 186 ? 4.078 -11.026 61.006 1.00 9.73 ? 186 GLN A CA 1 ATOM 1515 C C . GLN A 1 186 ? 3.496 -10.912 62.405 1.00 10.50 ? 186 GLN A C 1 ATOM 1516 O O . GLN A 1 186 ? 2.649 -11.724 62.778 1.00 11.61 ? 186 GLN A O 1 ATOM 1517 C CB . GLN A 1 186 ? 4.720 -12.395 60.791 1.00 10.88 ? 186 GLN A CB 1 ATOM 1518 C CG . GLN A 1 186 ? 5.179 -12.600 59.343 1.00 11.83 ? 186 GLN A CG 1 ATOM 1519 C CD . GLN A 1 186 ? 5.876 -13.935 59.107 1.00 13.63 ? 186 GLN A CD 1 ATOM 1520 O OE1 . GLN A 1 186 ? 5.389 -14.986 59.501 1.00 15.56 ? 186 GLN A OE1 1 ATOM 1521 N NE2 . GLN A 1 186 ? 7.001 -13.896 58.432 1.00 14.36 ? 186 GLN A NE2 1 ATOM 1522 N N . ALA A 1 187 ? 3.942 -9.901 63.151 1.00 10.93 ? 187 ALA A N 1 ATOM 1523 C CA . ALA A 1 187 ? 3.446 -9.619 64.496 1.00 10.80 ? 187 ALA A CA 1 ATOM 1524 C C . ALA A 1 187 ? 3.725 -8.155 64.798 1.00 10.77 ? 187 ALA A C 1 ATOM 1525 O O . ALA A 1 187 ? 4.520 -7.824 65.685 1.00 12.24 ? 187 ALA A O 1 ATOM 1526 C CB . ALA A 1 187 ? 4.139 -10.524 65.533 1.00 11.70 ? 187 ALA A CB 1 ATOM 1527 N N . LEU A 1 188 ? 3.060 -7.287 64.055 1.00 10.20 ? 188 LEU A N 1 ATOM 1528 C CA . LEU A 1 188 ? 3.383 -5.862 64.047 1.00 9.95 ? 188 LEU A CA 1 ATOM 1529 C C . LEU A 1 188 ? 2.381 -5.032 64.837 1.00 11.84 ? 188 LEU A C 1 ATOM 1530 O O . LEU A 1 188 ? 1.176 -5.207 64.700 1.00 13.08 ? 188 LEU A O 1 ATOM 1531 C CB . LEU A 1 188 ? 3.453 -5.348 62.598 1.00 10.27 ? 188 LEU A CB 1 ATOM 1532 C CG . LEU A 1 188 ? 4.125 -3.985 62.393 1.00 11.01 ? 188 LEU A CG 1 ATOM 1533 C CD1 . LEU A 1 188 ? 5.616 -4.147 62.572 1.00 11.66 ? 188 LEU A CD1 1 ATOM 1534 C CD2 . LEU A 1 188 ? 3.815 -3.418 61.011 1.00 10.94 ? 188 LEU A CD2 1 ATOM 1535 N N . ASN A 1 189 ? 2.916 -4.133 65.658 1.00 11.68 ? 189 ASN A N 1 ATOM 1536 C CA . ASN A 1 189 ? 2.142 -3.164 66.418 1.00 13.61 ? 189 ASN A CA 1 ATOM 1537 C C . ASN A 1 189 ? 2.346 -1.812 65.754 1.00 13.05 ? 189 ASN A C 1 ATOM 1538 O O . ASN A 1 189 ? 3.469 -1.297 65.694 1.00 13.87 ? 189 ASN A O 1 ATOM 1539 C CB . ASN A 1 189 ? 2.643 -3.155 67.876 1.00 16.84 ? 189 ASN A CB 1 ATOM 1540 C CG . ASN A 1 189 ? 1.799 -2.295 68.789 1.00 22.00 ? 189 ASN A CG 1 ATOM 1541 O OD1 . ASN A 1 189 ? 0.760 -1.775 68.386 1.00 24.43 ? 189 ASN A OD1 1 ATOM 1542 N ND2 . ASN A 1 189 ? 2.237 -2.149 70.043 1.00 24.38 ? 189 ASN A ND2 1 ATOM 1543 N N . TYR A 1 190 ? 1.279 -1.276 65.180 1.00 12.23 ? 190 TYR A N 1 ATOM 1544 C CA . TYR A 1 190 ? 1.383 -0.048 64.394 1.00 12.05 ? 190 TYR A CA 1 ATOM 1545 C C . TYR A 1 190 ? 0.173 0.850 64.626 1.00 12.21 ? 190 TYR A C 1 ATOM 1546 O O . TYR A 1 190 ? -0.873 0.396 65.124 1.00 13.24 ? 190 TYR A O 1 ATOM 1547 C CB . TYR A 1 190 ? 1.516 -0.362 62.883 1.00 12.14 ? 190 TYR A CB 1 ATOM 1548 C CG . TYR A 1 190 ? 0.291 -1.031 62.333 1.00 13.87 ? 190 TYR A CG 1 ATOM 1549 C CD1 . TYR A 1 190 ? 0.161 -2.403 62.365 1.00 14.95 ? 190 TYR A CD1 1 ATOM 1550 C CD2 . TYR A 1 190 ? -0.752 -0.283 61.808 1.00 14.77 ? 190 TYR A CD2 1 ATOM 1551 C CE1 . TYR A 1 190 ? -0.985 -3.032 61.899 1.00 16.65 ? 190 TYR A CE1 1 ATOM 1552 C CE2 . TYR A 1 190 ? -1.899 -0.895 61.344 1.00 16.10 ? 190 TYR A CE2 1 ATOM 1553 C CZ . TYR A 1 190 ? -2.010 -2.275 61.393 1.00 17.63 ? 190 TYR A CZ 1 ATOM 1554 O OH . TYR A 1 190 ? -3.146 -2.892 60.936 1.00 19.08 ? 190 TYR A OH 1 ATOM 1555 N N . GLU A 1 191 ? 0.326 2.123 64.247 1.00 12.60 ? 191 GLU A N 1 ATOM 1556 C CA . GLU A 1 191 ? -0.769 3.096 64.262 1.00 13.90 ? 191 GLU A CA 1 ATOM 1557 C C . GLU A 1 191 ? -0.786 3.847 62.944 1.00 13.23 ? 191 GLU A C 1 ATOM 1558 O O . GLU A 1 191 ? 0.198 4.482 62.581 1.00 13.28 ? 191 GLU A O 1 ATOM 1559 C CB . GLU A 1 191 ? -0.586 4.124 65.382 1.00 17.73 ? 191 GLU A CB 1 ATOM 1560 C CG . GLU A 1 191 ? -0.419 3.566 66.772 1.00 22.11 ? 191 GLU A CG 1 ATOM 1561 C CD . GLU A 1 191 ? 0.009 4.630 67.774 1.00 26.12 ? 191 GLU A CD 1 ATOM 1562 O OE1 . GLU A 1 191 ? 0.687 5.616 67.376 1.00 27.56 ? 191 GLU A OE1 1 ATOM 1563 O OE2 . GLU A 1 191 ? -0.339 4.477 68.963 1.00 27.98 ? 191 GLU A OE2 1 ATOM 1564 N N . ILE A 1 192 ? -1.905 3.781 62.231 1.00 12.61 ? 192 ILE A N 1 ATOM 1565 C CA . ILE A 1 192 ? -2.092 4.574 61.021 1.00 12.75 ? 192 ILE A CA 1 ATOM 1566 C C . ILE A 1 192 ? -2.586 5.976 61.375 1.00 13.06 ? 192 ILE A C 1 ATOM 1567 O O . ILE A 1 192 ? -3.510 6.143 62.183 1.00 13.62 ? 192 ILE A O 1 ATOM 1568 C CB . ILE A 1 192 ? -3.079 3.893 60.072 1.00 13.20 ? 192 ILE A CB 1 ATOM 1569 C CG1 . ILE A 1 192 ? -2.382 2.727 59.364 1.00 13.74 ? 192 ILE A CG1 1 ATOM 1570 C CG2 . ILE A 1 192 ? -3.606 4.888 59.039 1.00 13.19 ? 192 ILE A CG2 1 ATOM 1571 C CD1 . ILE A 1 192 ? -3.296 1.847 58.542 1.00 14.26 ? 192 ILE A CD1 1 ATOM 1572 N N . ARG A 1 193 ? -1.971 6.986 60.775 1.00 12.92 ? 193 ARG A N 1 ATOM 1573 C CA . ARG A 1 193 ? -2.442 8.355 60.899 1.00 13.46 ? 193 ARG A CA 1 ATOM 1574 C C . ARG A 1 193 ? -2.628 8.957 59.520 1.00 13.61 ? 193 ARG A C 1 ATOM 1575 O O . ARG A 1 193 ? -1.774 8.811 58.652 1.00 14.53 ? 193 ARG A O 1 ATOM 1576 C CB . ARG A 1 193 ? -1.454 9.184 61.725 1.00 15.53 ? 193 ARG A CB 1 ATOM 1577 C CG . ARG A 1 193 ? -1.218 8.652 63.146 1.00 17.97 ? 193 ARG A CG 1 ATOM 1578 C CD . ARG A 1 193 ? -2.418 8.925 64.055 1.00 20.82 ? 193 ARG A CD 1 ATOM 1579 N NE . ARG A 1 193 ? -2.273 8.360 65.406 1.00 23.98 ? 193 ARG A NE 1 ATOM 1580 C CZ . ARG A 1 193 ? -2.817 7.211 65.819 1.00 25.90 ? 193 ARG A CZ 1 ATOM 1581 N NH1 . ARG A 1 193 ? -3.549 6.461 64.993 1.00 26.23 ? 193 ARG A NH1 1 ATOM 1582 N NH2 . ARG A 1 193 ? -2.629 6.802 67.069 1.00 26.68 ? 193 ARG A NH2 1 ATOM 1583 N N . GLY A 1 194 ? -3.746 9.629 59.302 1.00 13.64 ? 194 GLY A N 1 ATOM 1584 C CA . GLY A 1 194 ? -4.020 10.181 57.998 1.00 12.93 ? 194 GLY A CA 1 ATOM 1585 C C . GLY A 1 194 ? -4.368 9.110 56.982 1.00 12.00 ? 194 GLY A C 1 ATOM 1586 O O . GLY A 1 194 ? -4.913 8.053 57.304 1.00 14.11 ? 194 GLY A O 1 ATOM 1587 N N . TYR A 1 195 ? -4.004 9.381 55.739 1.00 10.00 ? 195 TYR A N 1 ATOM 1588 C CA . TYR A 1 195 ? -4.433 8.572 54.615 1.00 9.86 ? 195 TYR A CA 1 ATOM 1589 C C . TYR A 1 195 ? -3.365 7.525 54.303 1.00 8.84 ? 195 TYR A C 1 ATOM 1590 O O . TYR A 1 195 ? -2.428 7.789 53.562 1.00 8.94 ? 195 TYR A O 1 ATOM 1591 C CB . TYR A 1 195 ? -4.676 9.485 53.415 1.00 10.10 ? 195 TYR A CB 1 ATOM 1592 C CG . TYR A 1 195 ? -5.311 8.859 52.201 1.00 10.49 ? 195 TYR A CG 1 ATOM 1593 C CD1 . TYR A 1 195 ? -6.202 7.790 52.298 1.00 9.92 ? 195 TYR A CD1 1 ATOM 1594 C CD2 . TYR A 1 195 ? -5.029 9.362 50.941 1.00 10.06 ? 195 TYR A CD2 1 ATOM 1595 C CE1 . TYR A 1 195 ? -6.784 7.246 51.159 1.00 9.00 ? 195 TYR A CE1 1 ATOM 1596 C CE2 . TYR A 1 195 ? -5.612 8.817 49.807 1.00 9.72 ? 195 TYR A CE2 1 ATOM 1597 C CZ . TYR A 1 195 ? -6.486 7.768 49.924 1.00 8.84 ? 195 TYR A CZ 1 ATOM 1598 O OH . TYR A 1 195 ? -7.071 7.237 48.807 1.00 9.54 ? 195 TYR A OH 1 ATOM 1599 N N . VAL A 1 196 ? -3.548 6.346 54.886 1.00 8.67 ? 196 VAL A N 1 ATOM 1600 C CA . VAL A 1 196 ? -2.706 5.176 54.661 1.00 8.54 ? 196 VAL A CA 1 ATOM 1601 C C . VAL A 1 196 ? -3.672 4.009 54.608 1.00 8.57 ? 196 VAL A C 1 ATOM 1602 O O . VAL A 1 196 ? -4.534 3.869 55.482 1.00 9.58 ? 196 VAL A O 1 ATOM 1603 C CB . VAL A 1 196 ? -1.662 4.929 55.770 1.00 8.96 ? 196 VAL A CB 1 ATOM 1604 C CG1 . VAL A 1 196 ? -0.713 3.790 55.345 1.00 8.73 ? 196 VAL A CG1 1 ATOM 1605 C CG2 . VAL A 1 196 ? -0.871 6.204 56.101 1.00 9.89 ? 196 VAL A CG2 1 ATOM 1606 N N . ILE A 1 197 ? -3.543 3.189 53.579 1.00 7.57 ? 197 ILE A N 1 ATOM 1607 C CA . ILE A 1 197 ? -4.462 2.096 53.336 1.00 6.98 ? 197 ILE A CA 1 ATOM 1608 C C . ILE A 1 197 ? -3.691 0.773 53.301 1.00 7.02 ? 197 ILE A C 1 ATOM 1609 O O . ILE A 1 197 ? -2.648 0.684 52.674 1.00 8.30 ? 197 ILE A O 1 ATOM 1610 C CB . ILE A 1 197 ? -5.192 2.281 51.971 1.00 8.22 ? 197 ILE A CB 1 ATOM 1611 C CG1 . ILE A 1 197 ? -5.926 3.625 51.899 1.00 8.48 ? 197 ILE A CG1 1 ATOM 1612 C CG2 . ILE A 1 197 ? -6.148 1.115 51.712 1.00 10.57 ? 197 ILE A CG2 1 ATOM 1613 C CD1 . ILE A 1 197 ? -7.066 3.756 52.891 1.00 8.12 ? 197 ILE A CD1 1 ATOM 1614 N N . ILE A 1 198 ? -4.225 -0.258 53.939 1.00 7.23 ? 198 ILE A N 1 ATOM 1615 C CA . ILE A 1 198 ? -3.629 -1.582 53.873 1.00 8.26 ? 198 ILE A CA 1 ATOM 1616 C C . ILE A 1 198 ? -4.250 -2.363 52.722 1.00 8.74 ? 198 ILE A C 1 ATOM 1617 O O . ILE A 1 198 ? -5.463 -2.478 52.612 1.00 10.34 ? 198 ILE A O 1 ATOM 1618 C CB . ILE A 1 198 ? -3.801 -2.345 55.186 1.00 9.35 ? 198 ILE A CB 1 ATOM 1619 C CG1 . ILE A 1 198 ? -3.066 -1.600 56.297 1.00 10.69 ? 198 ILE A CG1 1 ATOM 1620 C CG2 . ILE A 1 198 ? -3.222 -3.755 55.067 1.00 10.09 ? 198 ILE A CG2 1 ATOM 1621 C CD1 . ILE A 1 198 ? -3.285 -2.172 57.667 1.00 12.15 ? 198 ILE A CD1 1 ATOM 1622 N N . LYS A 1 199 ? -3.396 -2.869 51.831 1.00 8.25 ? 199 LYS A N 1 ATOM 1623 C CA . LYS A 1 199 ? -3.854 -3.613 50.651 1.00 8.72 ? 199 LYS A CA 1 ATOM 1624 C C . LYS A 1 199 ? -3.031 -4.867 50.476 1.00 8.55 ? 199 LYS A C 1 ATOM 1625 O O . LYS A 1 199 ? -1.934 -4.970 50.999 1.00 8.27 ? 199 LYS A O 1 ATOM 1626 C CB . LYS A 1 199 ? -3.695 -2.760 49.386 1.00 9.61 ? 199 LYS A CB 1 ATOM 1627 C CG . LYS A 1 199 ? -4.751 -1.659 49.203 1.00 12.26 ? 199 LYS A CG 1 ATOM 1628 C CD . LYS A 1 199 ? -6.067 -2.281 48.766 1.00 14.83 ? 199 LYS A CD 1 ATOM 1629 C CE . LYS A 1 199 ? -7.146 -1.248 48.508 1.00 17.14 ? 199 LYS A CE 1 ATOM 1630 N NZ . LYS A 1 199 ? -8.353 -1.946 48.065 1.00 20.01 ? 199 LYS A NZ 1 ATOM 1631 N N . PRO A 1 200 ? -3.545 -5.834 49.717 1.00 8.97 ? 200 PRO A N 1 ATOM 1632 C CA . PRO A 1 200 ? -2.687 -6.977 49.380 1.00 9.68 ? 200 PRO A CA 1 ATOM 1633 C C . PRO A 1 200 ? -1.433 -6.526 48.623 1.00 9.39 ? 200 PRO A C 1 ATOM 1634 O O . PRO A 1 200 ? -1.478 -5.556 47.864 1.00 10.56 ? 200 PRO A O 1 ATOM 1635 C CB . PRO A 1 200 ? -3.581 -7.833 48.478 1.00 11.01 ? 200 PRO A CB 1 ATOM 1636 C CG . PRO A 1 200 ? -4.952 -7.462 48.866 1.00 11.49 ? 200 PRO A CG 1 ATOM 1637 C CD . PRO A 1 200 ? -4.889 -5.987 49.143 1.00 10.69 ? 200 PRO A CD 1 ATOM 1638 N N . LEU A 1 201 ? -0.348 -7.266 48.821 1.00 9.81 ? 201 LEU A N 1 ATOM 1639 C CA . LEU A 1 201 ? 0.888 -7.119 48.075 1.00 10.94 ? 201 LEU A CA 1 ATOM 1640 C C . LEU A 1 201 ? 0.724 -7.826 46.737 1.00 11.60 ? 201 LEU A C 1 ATOM 1641 O O . LEU A 1 201 ? 0.605 -9.058 46.698 1.00 14.44 ? 201 LEU A O 1 ATOM 1642 C CB . LEU A 1 201 ? 2.013 -7.782 48.871 1.00 12.76 ? 201 LEU A CB 1 ATOM 1643 C CG . LEU A 1 201 ? 3.329 -7.981 48.118 1.00 15.87 ? 201 LEU A CG 1 ATOM 1644 C CD1 . LEU A 1 201 ? 3.953 -6.679 47.705 1.00 15.91 ? 201 LEU A CD1 1 ATOM 1645 C CD2 . LEU A 1 201 ? 4.257 -8.749 49.025 1.00 17.21 ? 201 LEU A CD2 1 ATOM 1646 N N . VAL A 1 202 ? 0.716 -7.067 45.644 1.00 10.02 ? 202 VAL A N 1 ATOM 1647 C CA . VAL A 1 202 ? 0.466 -7.668 44.330 1.00 10.41 ? 202 VAL A CA 1 ATOM 1648 C C . VAL A 1 202 ? 1.670 -7.625 43.413 1.00 10.95 ? 202 VAL A C 1 ATOM 1649 O O . VAL A 1 202 ? 1.640 -8.189 42.316 1.00 11.88 ? 202 VAL A O 1 ATOM 1650 C CB . VAL A 1 202 ? -0.737 -6.992 43.595 1.00 10.82 ? 202 VAL A CB 1 ATOM 1651 C CG1 . VAL A 1 202 ? -1.999 -7.081 44.440 1.00 12.26 ? 202 VAL A CG1 1 ATOM 1652 C CG2 . VAL A 1 202 ? -0.435 -5.537 43.219 1.00 10.77 ? 202 VAL A CG2 1 ATOM 1653 N N . TRP A 1 203 ? 2.727 -6.967 43.867 1.00 10.76 ? 203 TRP A N 1 ATOM 1654 C CA . TRP A 1 203 ? 3.908 -6.753 43.025 1.00 11.81 ? 203 TRP A CA 1 ATOM 1655 C C . TRP A 1 203 ? 5.101 -7.617 43.405 1.00 17.31 ? 203 TRP A C 1 ATOM 1656 O O . TRP A 1 203 ? 6.170 -7.458 42.834 1.00 18.99 ? 203 TRP A O 1 ATOM 1657 C CB . TRP A 1 203 ? 4.301 -5.276 43.016 1.00 11.07 ? 203 TRP A CB 1 ATOM 1658 C CG . TRP A 1 203 ? 4.210 -4.558 44.332 1.00 9.01 ? 203 TRP A CG 1 ATOM 1659 C CD1 . TRP A 1 203 ? 3.135 -3.888 44.817 1.00 8.32 ? 203 TRP A CD1 1 ATOM 1660 C CD2 . TRP A 1 203 ? 5.249 -4.409 45.307 1.00 8.95 ? 203 TRP A CD2 1 ATOM 1661 N NE1 . TRP A 1 203 ? 3.432 -3.312 46.019 1.00 9.10 ? 203 TRP A NE1 1 ATOM 1662 C CE2 . TRP A 1 203 ? 4.725 -3.628 46.354 1.00 9.14 ? 203 TRP A CE2 1 ATOM 1663 C CE3 . TRP A 1 203 ? 6.577 -4.845 45.385 1.00 10.02 ? 203 TRP A CE3 1 ATOM 1664 C CZ2 . TRP A 1 203 ? 5.483 -3.272 47.474 1.00 9.09 ? 203 TRP A CZ2 1 ATOM 1665 C CZ3 . TRP A 1 203 ? 7.327 -4.501 46.507 1.00 10.08 ? 203 TRP A CZ3 1 ATOM 1666 C CH2 . TRP A 1 203 ? 6.780 -3.716 47.530 1.00 9.98 ? 203 TRP A CH2 1 ATOM 1667 N N . VAL A 1 204 ? 4.940 -8.512 44.365 1.00 21.74 ? 204 VAL A N 1 ATOM 1668 C CA . VAL A 1 204 ? 5.969 -9.531 44.597 1.00 28.23 ? 204 VAL A CA 1 ATOM 1669 C C . VAL A 1 204 ? 5.407 -10.904 44.267 1.00 32.66 ? 204 VAL A C 1 ATOM 1670 O O . VAL A 1 204 ? 5.513 -11.367 43.122 1.00 33.93 ? 204 VAL A O 1 ATOM 1671 C CB . VAL A 1 204 ? 6.453 -9.535 46.051 1.00 29.89 ? 204 VAL A CB 1 ATOM 1672 C CG1 . VAL A 1 204 ? 7.373 -10.728 46.331 1.00 31.25 ? 204 VAL A CG1 1 ATOM 1673 C CG2 . VAL A 1 204 ? 7.165 -8.254 46.363 1.00 30.02 ? 204 VAL A CG2 1 ATOM 1674 O OXT . VAL A 1 204 ? 4.825 -11.555 45.154 1.00 34.47 ? 204 VAL A OXT 1 ATOM 1675 N N . HIS B 1 1 ? -24.698 -4.157 20.957 1.00 26.66 ? 1 HIS B N 1 ATOM 1676 C CA . HIS B 1 1 ? -25.347 -4.701 19.742 1.00 26.54 ? 1 HIS B CA 1 ATOM 1677 C C . HIS B 1 1 ? -24.376 -5.422 18.810 1.00 23.33 ? 1 HIS B C 1 ATOM 1678 O O . HIS B 1 1 ? -24.825 -6.095 17.896 1.00 23.61 ? 1 HIS B O 1 ATOM 1679 C CB . HIS B 1 1 ? -26.113 -3.607 18.970 1.00 28.56 ? 1 HIS B CB 1 ATOM 1680 C CG . HIS B 1 1 ? -25.299 -2.387 18.648 1.00 30.54 ? 1 HIS B CG 1 ATOM 1681 N ND1 . HIS B 1 1 ? -24.134 -2.434 17.914 1.00 31.22 ? 1 HIS B ND1 1 ATOM 1682 C CD2 . HIS B 1 1 ? -25.501 -1.079 18.942 1.00 30.95 ? 1 HIS B CD2 1 ATOM 1683 C CE1 . HIS B 1 1 ? -23.635 -1.214 17.792 1.00 31.14 ? 1 HIS B CE1 1 ATOM 1684 N NE2 . HIS B 1 1 ? -24.450 -0.372 18.401 1.00 31.04 ? 1 HIS B NE2 1 ATOM 1685 N N . THR B 1 2 ? -23.066 -5.309 19.039 1.00 19.29 ? 2 THR B N 1 ATOM 1686 C CA . THR B 1 2 ? -22.086 -5.885 18.116 1.00 16.62 ? 2 THR B CA 1 ATOM 1687 C C . THR B 1 2 ? -20.953 -6.621 18.839 1.00 13.40 ? 2 THR B C 1 ATOM 1688 O O . THR B 1 2 ? -20.394 -6.120 19.809 1.00 13.08 ? 2 THR B O 1 ATOM 1689 C CB . THR B 1 2 ? -21.465 -4.785 17.231 1.00 18.99 ? 2 THR B CB 1 ATOM 1690 O OG1 . THR B 1 2 ? -22.487 -4.158 16.452 1.00 21.03 ? 2 THR B OG1 1 ATOM 1691 C CG2 . THR B 1 2 ? -20.408 -5.351 16.309 1.00 19.30 ? 2 THR B CG2 1 ATOM 1692 N N . ASP B 1 3 ? -20.586 -7.788 18.325 1.00 12.42 ? 3 ASP B N 1 ATOM 1693 C CA . ASP B 1 3 ? -19.429 -8.531 18.829 1.00 11.88 ? 3 ASP B CA 1 ATOM 1694 C C . ASP B 1 3 ? -18.178 -8.102 18.053 1.00 10.19 ? 3 ASP B C 1 ATOM 1695 O O . ASP B 1 3 ? -18.025 -8.412 16.860 1.00 11.51 ? 3 ASP B O 1 ATOM 1696 C CB . ASP B 1 3 ? -19.677 -10.032 18.658 1.00 13.03 ? 3 ASP B CB 1 ATOM 1697 C CG . ASP B 1 3 ? -18.586 -10.902 19.251 1.00 14.29 ? 3 ASP B CG 1 ATOM 1698 O OD1 . ASP B 1 3 ? -17.512 -10.396 19.619 1.00 13.76 ? 3 ASP B OD1 1 ATOM 1699 O OD2 . ASP B 1 3 ? -18.797 -12.139 19.321 1.00 17.18 ? 3 ASP B OD2 1 ATOM 1700 N N . LEU B 1 4 ? -17.275 -7.396 18.728 1.00 8.99 ? 4 LEU B N 1 ATOM 1701 C CA . LEU B 1 4 ? -16.071 -6.887 18.060 1.00 8.83 ? 4 LEU B CA 1 ATOM 1702 C C . LEU B 1 4 ? -14.856 -7.795 18.314 1.00 8.97 ? 4 LEU B C 1 ATOM 1703 O O . LEU B 1 4 ? -13.717 -7.388 18.104 1.00 8.04 ? 4 LEU B O 1 ATOM 1704 C CB . LEU B 1 4 ? -15.779 -5.437 18.495 1.00 8.46 ? 4 LEU B CB 1 ATOM 1705 C CG . LEU B 1 4 ? -16.806 -4.419 17.993 1.00 9.30 ? 4 LEU B CG 1 ATOM 1706 C CD1 . LEU B 1 4 ? -16.465 -3.064 18.561 1.00 10.98 ? 4 LEU B CD1 1 ATOM 1707 C CD2 . LEU B 1 4 ? -16.848 -4.348 16.492 1.00 10.72 ? 4 LEU B CD2 1 ATOM 1708 N N . SER B 1 5 ? -15.093 -9.036 18.731 1.00 9.60 ? 5 SER B N 1 ATOM 1709 C CA . SER B 1 5 ? -13.997 -9.986 18.952 1.00 10.54 ? 5 SER B CA 1 ATOM 1710 C C . SER B 1 5 ? -13.083 -9.988 17.738 1.00 10.28 ? 5 SER B C 1 ATOM 1711 O O . SER B 1 5 ? -13.554 -10.099 16.601 1.00 11.19 ? 5 SER B O 1 ATOM 1712 C CB . SER B 1 5 ? -14.509 -11.411 19.149 1.00 12.84 ? 5 SER B CB 1 ATOM 1713 O OG . SER B 1 5 ? -15.299 -11.511 20.295 1.00 15.20 ? 5 SER B OG 1 ATOM 1714 N N . GLY B 1 6 ? -11.785 -9.847 17.972 1.00 9.10 ? 6 GLY B N 1 ATOM 1715 C CA . GLY B 1 6 ? -10.827 -9.940 16.887 1.00 8.75 ? 6 GLY B CA 1 ATOM 1716 C C . GLY B 1 6 ? -10.643 -8.640 16.120 1.00 8.15 ? 6 GLY B C 1 ATOM 1717 O O . GLY B 1 6 ? -9.874 -8.622 15.158 1.00 9.33 ? 6 GLY B O 1 ATOM 1718 N N . LYS B 1 7 ? -11.337 -7.568 16.518 1.00 7.91 ? 7 LYS B N 1 ATOM 1719 C CA . LYS B 1 7 ? -11.338 -6.303 15.779 1.00 8.52 ? 7 LYS B CA 1 ATOM 1720 C C . LYS B 1 7 ? -10.899 -5.134 16.663 1.00 7.39 ? 7 LYS B C 1 ATOM 1721 O O . LYS B 1 7 ? -10.934 -5.223 17.886 1.00 8.30 ? 7 LYS B O 1 ATOM 1722 C CB . LYS B 1 7 ? -12.730 -6.029 15.193 1.00 10.32 ? 7 LYS B CB 1 ATOM 1723 C CG . LYS B 1 7 ? -13.221 -7.164 14.284 1.00 12.85 ? 7 LYS B CG 1 ATOM 1724 C CD . LYS B 1 7 ? -14.588 -6.917 13.670 1.00 15.83 ? 7 LYS B CD 1 ATOM 1725 C CE . LYS B 1 7 ? -14.953 -8.059 12.718 1.00 18.39 ? 7 LYS B CE 1 ATOM 1726 N NZ . LYS B 1 7 ? -16.315 -7.873 12.155 1.00 21.24 ? 7 LYS B NZ 1 ATOM 1727 N N . VAL B 1 8 ? -10.516 -4.040 16.020 1.00 6.30 ? 8 VAL B N 1 ATOM 1728 C CA . VAL B 1 8 ? -10.121 -2.798 16.682 1.00 6.10 ? 8 VAL B CA 1 ATOM 1729 C C . VAL B 1 8 ? -10.820 -1.641 16.032 1.00 5.68 ? 8 VAL B C 1 ATOM 1730 O O . VAL B 1 8 ? -11.206 -1.725 14.876 1.00 6.20 ? 8 VAL B O 1 ATOM 1731 C CB . VAL B 1 8 ? -8.602 -2.508 16.585 1.00 8.16 ? 8 VAL B CB 1 ATOM 1732 C CG1 . VAL B 1 8 ? -7.819 -3.535 17.355 1.00 10.15 ? 8 VAL B CG1 1 ATOM 1733 C CG2 . VAL B 1 8 ? -8.114 -2.434 15.119 1.00 8.60 ? 8 VAL B CG2 1 ATOM 1734 N N . PHE B 1 9 ? -10.949 -0.544 16.775 1.00 5.31 ? 9 PHE B N 1 ATOM 1735 C CA . PHE B 1 9 ? -11.239 0.757 16.175 1.00 4.53 ? 9 PHE B CA 1 ATOM 1736 C C . PHE B 1 9 ? -9.922 1.391 15.773 1.00 5.06 ? 9 PHE B C 1 ATOM 1737 O O . PHE B 1 9 ? -8.999 1.458 16.576 1.00 5.82 ? 9 PHE B O 1 ATOM 1738 C CB . PHE B 1 9 ? -11.937 1.703 17.158 1.00 5.65 ? 9 PHE B CB 1 ATOM 1739 C CG . PHE B 1 9 ? -13.348 1.319 17.509 1.00 6.06 ? 9 PHE B CG 1 ATOM 1740 C CD1 . PHE B 1 9 ? -14.331 1.188 16.541 1.00 7.74 ? 9 PHE B CD1 1 ATOM 1741 C CD2 . PHE B 1 9 ? -13.702 1.164 18.842 1.00 7.01 ? 9 PHE B CD2 1 ATOM 1742 C CE1 . PHE B 1 9 ? -15.636 0.868 16.901 1.00 8.36 ? 9 PHE B CE1 1 ATOM 1743 C CE2 . PHE B 1 9 ? -15.012 0.839 19.206 1.00 8.39 ? 9 PHE B CE2 1 ATOM 1744 C CZ . PHE B 1 9 ? -15.961 0.671 18.238 1.00 8.31 ? 9 PHE B CZ 1 ATOM 1745 N N . VAL B 1 10 ? -9.861 1.883 14.537 1.00 4.60 ? 10 VAL B N 1 ATOM 1746 C CA . VAL B 1 10 ? -8.714 2.636 14.046 1.00 4.97 ? 10 VAL B CA 1 ATOM 1747 C C . VAL B 1 10 ? -9.112 4.102 13.891 1.00 4.88 ? 10 VAL B C 1 ATOM 1748 O O . VAL B 1 10 ? -10.068 4.407 13.185 1.00 5.15 ? 10 VAL B O 1 ATOM 1749 C CB . VAL B 1 10 ? -8.197 2.108 12.675 1.00 6.25 ? 10 VAL B CB 1 ATOM 1750 C CG1 . VAL B 1 10 ? -6.903 2.837 12.302 1.00 6.88 ? 10 VAL B CG1 1 ATOM 1751 C CG2 . VAL B 1 10 ? -7.981 0.591 12.716 1.00 7.41 ? 10 VAL B CG2 1 ATOM 1752 N N . PHE B 1 11 ? -8.403 4.971 14.606 1.00 4.96 ? 11 PHE B N 1 ATOM 1753 C CA . PHE B 1 11 ? -8.538 6.424 14.525 1.00 4.73 ? 11 PHE B CA 1 ATOM 1754 C C . PHE B 1 11 ? -7.352 6.874 13.679 1.00 5.04 ? 11 PHE B C 1 ATOM 1755 O O . PHE B 1 11 ? -6.246 7.023 14.196 1.00 5.34 ? 11 PHE B O 1 ATOM 1756 C CB . PHE B 1 11 ? -8.492 7.016 15.946 1.00 5.00 ? 11 PHE B CB 1 ATOM 1757 C CG . PHE B 1 11 ? -9.567 6.475 16.854 1.00 5.78 ? 11 PHE B CG 1 ATOM 1758 C CD1 . PHE B 1 11 ? -9.373 5.279 17.519 1.00 6.59 ? 11 PHE B CD1 1 ATOM 1759 C CD2 . PHE B 1 11 ? -10.775 7.122 17.013 1.00 6.60 ? 11 PHE B CD2 1 ATOM 1760 C CE1 . PHE B 1 11 ? -10.351 4.754 18.338 1.00 6.95 ? 11 PHE B CE1 1 ATOM 1761 C CE2 . PHE B 1 11 ? -11.772 6.578 17.840 1.00 5.94 ? 11 PHE B CE2 1 ATOM 1762 C CZ . PHE B 1 11 ? -11.546 5.400 18.493 1.00 7.22 ? 11 PHE B CZ 1 ATOM 1763 N N . PRO B 1 12 ? -7.572 7.029 12.360 1.00 5.70 ? 12 PRO B N 1 ATOM 1764 C CA . PRO B 1 12 ? -6.407 7.006 11.477 1.00 5.46 ? 12 PRO B CA 1 ATOM 1765 C C . PRO B 1 12 ? -5.690 8.338 11.293 1.00 5.77 ? 12 PRO B C 1 ATOM 1766 O O . PRO B 1 12 ? -4.670 8.375 10.604 1.00 6.61 ? 12 PRO B O 1 ATOM 1767 C CB . PRO B 1 12 ? -6.998 6.528 10.129 1.00 7.15 ? 12 PRO B CB 1 ATOM 1768 C CG . PRO B 1 12 ? -8.370 6.027 10.456 1.00 7.55 ? 12 PRO B CG 1 ATOM 1769 C CD . PRO B 1 12 ? -8.804 6.889 11.572 1.00 6.56 ? 12 PRO B CD 1 ATOM 1770 N N . ARG B 1 13 ? -6.233 9.410 11.861 1.00 6.28 ? 13 ARG B N 1 ATOM 1771 C CA . ARG B 1 13 ? -5.635 10.729 11.699 1.00 8.43 ? 13 ARG B CA 1 ATOM 1772 C C . ARG B 1 13 ? -6.030 11.619 12.857 1.00 8.57 ? 13 ARG B C 1 ATOM 1773 O O . ARG B 1 13 ? -7.033 11.404 13.485 1.00 10.74 ? 13 ARG B O 1 ATOM 1774 C CB . ARG B 1 13 ? -6.144 11.380 10.406 1.00 12.06 ? 13 ARG B CB 1 ATOM 1775 C CG . ARG B 1 13 ? -7.656 11.464 10.425 1.00 16.89 ? 13 ARG B CG 1 ATOM 1776 C CD . ARG B 1 13 ? -8.246 12.647 9.693 1.00 19.14 ? 13 ARG B CD 1 ATOM 1777 N NE . ARG B 1 13 ? -9.653 12.830 10.059 1.00 20.41 ? 13 ARG B NE 1 ATOM 1778 C CZ . ARG B 1 13 ? -10.604 13.269 9.245 1.00 24.29 ? 13 ARG B CZ 1 ATOM 1779 N NH1 . ARG B 1 13 ? -10.330 13.577 7.982 1.00 26.32 ? 13 ARG B NH1 1 ATOM 1780 N NH2 . ARG B 1 13 ? -11.842 13.398 9.695 1.00 25.48 ? 13 ARG B NH2 1 ATOM 1781 N N . GLU B 1 14 ? -5.231 12.647 13.088 1.00 8.23 ? 14 GLU B N 1 ATOM 1782 C CA . GLU B 1 14 ? -5.524 13.661 14.079 1.00 10.15 ? 14 GLU B CA 1 ATOM 1783 C C . GLU B 1 14 ? -6.667 14.549 13.590 1.00 8.58 ? 14 GLU B C 1 ATOM 1784 O O . GLU B 1 14 ? -6.708 14.928 12.421 1.00 9.94 ? 14 GLU B O 1 ATOM 1785 C CB . GLU B 1 14 ? -4.247 14.469 14.256 1.00 15.69 ? 14 GLU B CB 1 ATOM 1786 C CG . GLU B 1 14 ? -4.289 15.592 15.211 1.00 19.88 ? 14 GLU B CG 1 ATOM 1787 C CD . GLU B 1 14 ? -2.905 16.156 15.384 1.00 22.81 ? 14 GLU B CD 1 ATOM 1788 O OE1 . GLU B 1 14 ? -2.160 15.599 16.200 1.00 22.84 ? 14 GLU B OE1 1 ATOM 1789 O OE2 . GLU B 1 14 ? -2.528 17.096 14.644 1.00 26.71 ? 14 GLU B OE2 1 ATOM 1790 N N . SER B 1 15 ? -7.595 14.877 14.479 1.00 7.04 ? 15 SER B N 1 ATOM 1791 C CA . SER B 1 15 ? -8.757 15.690 14.132 1.00 7.05 ? 15 SER B CA 1 ATOM 1792 C C . SER B 1 15 ? -9.402 16.197 15.404 1.00 7.14 ? 15 SER B C 1 ATOM 1793 O O . SER B 1 15 ? -9.059 15.725 16.479 1.00 7.06 ? 15 SER B O 1 ATOM 1794 C CB . SER B 1 15 ? -9.774 14.830 13.374 1.00 7.52 ? 15 SER B CB 1 ATOM 1795 O OG . SER B 1 15 ? -10.537 14.046 14.285 1.00 8.81 ? 15 SER B OG 1 ATOM 1796 N N . VAL B 1 16 ? -10.368 17.100 15.279 1.00 7.01 ? 16 VAL B N 1 ATOM 1797 C CA . VAL B 1 16 ? -11.190 17.523 16.409 1.00 7.27 ? 16 VAL B CA 1 ATOM 1798 C C . VAL B 1 16 ? -12.597 16.913 16.313 1.00 9.59 ? 16 VAL B C 1 ATOM 1799 O O . VAL B 1 16 ? -13.518 17.321 17.026 1.00 13.02 ? 16 VAL B O 1 ATOM 1800 C CB . VAL B 1 16 ? -11.254 19.075 16.510 1.00 10.26 ? 16 VAL B CB 1 ATOM 1801 C CG1 . VAL B 1 16 ? -12.140 19.666 15.440 1.00 11.16 ? 16 VAL B CG1 1 ATOM 1802 C CG2 . VAL B 1 16 ? -11.709 19.525 17.896 1.00 11.90 ? 16 VAL B CG2 1 ATOM 1803 N N . THR B 1 17 ? -12.758 15.929 15.446 1.00 9.00 ? 17 THR B N 1 ATOM 1804 C CA . THR B 1 17 ? -14.065 15.360 15.106 1.00 10.46 ? 17 THR B CA 1 ATOM 1805 C C . THR B 1 17 ? -14.229 13.853 15.307 1.00 9.04 ? 17 THR B C 1 ATOM 1806 O O . THR B 1 17 ? -15.284 13.409 15.735 1.00 11.35 ? 17 THR B O 1 ATOM 1807 C CB . THR B 1 17 ? -14.376 15.673 13.610 1.00 14.85 ? 17 THR B CB 1 ATOM 1808 O OG1 . THR B 1 17 ? -14.526 17.083 13.456 1.00 17.97 ? 17 THR B OG1 1 ATOM 1809 C CG2 . THR B 1 17 ? -15.650 15.009 13.136 1.00 16.34 ? 17 THR B CG2 1 ATOM 1810 N N . ASP B 1 18 ? -13.216 13.079 14.939 1.00 7.37 ? 18 ASP B N 1 ATOM 1811 C CA . ASP B 1 18 ? -13.350 11.634 14.820 1.00 7.73 ? 18 ASP B CA 1 ATOM 1812 C C . ASP B 1 18 ? -13.438 11.002 16.191 1.00 6.00 ? 18 ASP B C 1 ATOM 1813 O O . ASP B 1 18 ? -12.565 11.238 17.022 1.00 6.21 ? 18 ASP B O 1 ATOM 1814 C CB . ASP B 1 18 ? -12.122 11.025 14.107 1.00 9.04 ? 18 ASP B CB 1 ATOM 1815 C CG . ASP B 1 18 ? -11.846 11.625 12.740 1.00 11.04 ? 18 ASP B CG 1 ATOM 1816 O OD1 . ASP B 1 18 ? -12.795 12.133 12.108 1.00 11.90 ? 18 ASP B OD1 1 ATOM 1817 O OD2 . ASP B 1 18 ? -10.663 11.582 12.297 1.00 12.73 ? 18 ASP B OD2 1 ATOM 1818 N N . HIS B 1 19 ? -14.491 10.217 16.453 1.00 5.62 ? 19 HIS B N 1 ATOM 1819 C CA . HIS B 1 19 ? -14.642 9.577 17.751 1.00 5.25 ? 19 HIS B CA 1 ATOM 1820 C C . HIS B 1 19 ? -15.638 8.451 17.713 1.00 5.40 ? 19 HIS B C 1 ATOM 1821 O O . HIS B 1 19 ? -16.379 8.299 16.749 1.00 6.24 ? 19 HIS B O 1 ATOM 1822 C CB . HIS B 1 19 ? -15.025 10.585 18.847 1.00 6.31 ? 19 HIS B CB 1 ATOM 1823 C CG . HIS B 1 19 ? -16.394 11.172 18.723 1.00 7.44 ? 19 HIS B CG 1 ATOM 1824 N ND1 . HIS B 1 19 ? -16.705 12.163 17.823 1.00 8.84 ? 19 HIS B ND1 1 ATOM 1825 C CD2 . HIS B 1 19 ? -17.531 10.936 19.429 1.00 8.99 ? 19 HIS B CD2 1 ATOM 1826 C CE1 . HIS B 1 19 ? -17.965 12.535 17.996 1.00 9.69 ? 19 HIS B CE1 1 ATOM 1827 N NE2 . HIS B 1 19 ? -18.490 11.800 18.953 1.00 11.54 ? 19 HIS B NE2 1 ATOM 1828 N N . VAL B 1 20 ? -15.636 7.664 18.784 1.00 4.98 ? 20 VAL B N 1 ATOM 1829 C CA . VAL B 1 20 ? -16.660 6.646 18.984 1.00 5.28 ? 20 VAL B CA 1 ATOM 1830 C C . VAL B 1 20 ? -17.359 6.964 20.287 1.00 5.15 ? 20 VAL B C 1 ATOM 1831 O O . VAL B 1 20 ? -16.716 7.194 21.301 1.00 5.93 ? 20 VAL B O 1 ATOM 1832 C CB . VAL B 1 20 ? -16.070 5.220 19.045 1.00 6.47 ? 20 VAL B CB 1 ATOM 1833 C CG1 . VAL B 1 20 ? -17.170 4.200 19.335 1.00 7.66 ? 20 VAL B CG1 1 ATOM 1834 C CG2 . VAL B 1 20 ? -15.346 4.888 17.760 1.00 6.88 ? 20 VAL B CG2 1 ATOM 1835 N N . ASN B 1 21 ? -18.679 6.948 20.246 1.00 5.49 ? 21 ASN B N 1 ATOM 1836 C CA . ASN B 1 21 ? -19.497 7.043 21.437 1.00 6.19 ? 21 ASN B CA 1 ATOM 1837 C C . ASN B 1 21 ? -19.831 5.638 21.919 1.00 5.66 ? 21 ASN B C 1 ATOM 1838 O O . ASN B 1 21 ? -20.291 4.798 21.142 1.00 7.66 ? 21 ASN B O 1 ATOM 1839 C CB . ASN B 1 21 ? -20.814 7.760 21.105 1.00 9.70 ? 21 ASN B CB 1 ATOM 1840 C CG . ASN B 1 21 ? -20.632 9.206 20.771 1.00 15.66 ? 21 ASN B CG 1 ATOM 1841 O OD1 . ASN B 1 21 ? -19.801 9.893 21.361 1.00 17.83 ? 21 ASN B OD1 1 ATOM 1842 N ND2 . ASN B 1 21 ? -21.430 9.695 19.828 1.00 18.61 ? 21 ASN B ND2 1 ATOM 1843 N N . LEU B 1 22 ? -19.565 5.369 23.189 1.00 6.26 ? 22 LEU B N 1 ATOM 1844 C CA . LEU B 1 22 ? -19.887 4.075 23.776 1.00 7.26 ? 22 LEU B CA 1 ATOM 1845 C C . LEU B 1 22 ? -21.070 4.228 24.697 1.00 7.99 ? 22 LEU B C 1 ATOM 1846 O O . LEU B 1 22 ? -21.097 5.135 25.524 1.00 9.43 ? 22 LEU B O 1 ATOM 1847 C CB . LEU B 1 22 ? -18.694 3.560 24.574 1.00 7.56 ? 22 LEU B CB 1 ATOM 1848 C CG . LEU B 1 22 ? -17.388 3.368 23.804 1.00 8.45 ? 22 LEU B CG 1 ATOM 1849 C CD1 . LEU B 1 22 ? -16.336 2.794 24.734 1.00 8.97 ? 22 LEU B CD1 1 ATOM 1850 C CD2 . LEU B 1 22 ? -17.605 2.445 22.612 1.00 9.68 ? 22 LEU B CD2 1 ATOM 1851 N N . ILE B 1 23 ? -22.025 3.329 24.580 1.00 8.20 ? 23 ILE B N 1 ATOM 1852 C CA . ILE B 1 23 ? -23.270 3.453 25.321 1.00 9.30 ? 23 ILE B CA 1 ATOM 1853 C C . ILE B 1 23 ? -23.405 2.294 26.304 1.00 10.06 ? 23 ILE B C 1 ATOM 1854 O O . ILE B 1 23 ? -23.351 1.131 25.924 1.00 10.81 ? 23 ILE B O 1 ATOM 1855 C CB . ILE B 1 23 ? -24.467 3.482 24.331 1.00 12.69 ? 23 ILE B CB 1 ATOM 1856 C CG1 . ILE B 1 23 ? -24.295 4.655 23.340 1.00 15.18 ? 23 ILE B CG1 1 ATOM 1857 C CG2 . ILE B 1 23 ? -25.804 3.588 25.080 1.00 14.26 ? 23 ILE B CG2 1 ATOM 1858 C CD1 . ILE B 1 23 ? -25.163 4.540 22.085 1.00 17.83 ? 23 ILE B CD1 1 ATOM 1859 N N . THR B 1 24 ? -23.526 2.606 27.582 1.00 11.29 ? 24 THR B N 1 ATOM 1860 C CA . THR B 1 24 ? -23.841 1.584 28.578 1.00 12.62 ? 24 THR B CA 1 ATOM 1861 C C . THR B 1 24 ? -25.309 1.723 28.993 1.00 14.41 ? 24 THR B C 1 ATOM 1862 O O . THR B 1 24 ? -25.787 2.816 29.145 1.00 15.09 ? 24 THR B O 1 ATOM 1863 C CB . THR B 1 24 ? -22.925 1.694 29.808 1.00 13.54 ? 24 THR B CB 1 ATOM 1864 O OG1 . THR B 1 24 ? -23.270 0.676 30.750 1.00 12.94 ? 24 THR B OG1 1 ATOM 1865 C CG2 . THR B 1 24 ? -23.073 3.057 30.494 1.00 15.20 ? 24 THR B CG2 1 ATOM 1866 N N . PRO B 1 25 ? -26.015 0.605 29.157 1.00 16.46 ? 25 PRO B N 1 ATOM 1867 C CA . PRO B 1 25 ? -27.382 0.645 29.681 1.00 17.50 ? 25 PRO B CA 1 ATOM 1868 C C . PRO B 1 25 ? -27.411 0.574 31.180 1.00 17.80 ? 25 PRO B C 1 ATOM 1869 O O . PRO B 1 25 ? -28.469 0.758 31.796 1.00 16.69 ? 25 PRO B O 1 ATOM 1870 C CB . PRO B 1 25 ? -27.992 -0.643 29.143 1.00 18.36 ? 25 PRO B CB 1 ATOM 1871 C CG . PRO B 1 25 ? -26.829 -1.582 29.131 1.00 18.22 ? 25 PRO B CG 1 ATOM 1872 C CD . PRO B 1 25 ? -25.617 -0.744 28.746 1.00 18.06 ? 25 PRO B CD 1 ATOM 1873 N N . LEU B 1 26 ? -26.271 0.284 31.786 1.00 19.60 ? 26 LEU B N 1 ATOM 1874 C CA . LEU B 1 26 ? -26.259 0.305 33.230 1.00 21.96 ? 26 LEU B CA 1 ATOM 1875 C C . LEU B 1 26 ? -26.341 1.773 33.512 1.00 22.47 ? 26 LEU B C 1 ATOM 1876 O O . LEU B 1 26 ? -25.672 2.587 32.860 1.00 24.61 ? 26 LEU B O 1 ATOM 1877 C CB . LEU B 1 26 ? -25.017 -0.351 33.817 1.00 24.78 ? 26 LEU B CB 1 ATOM 1878 C CG . LEU B 1 26 ? -25.010 -1.876 33.732 1.00 26.76 ? 26 LEU B CG 1 ATOM 1879 C CD1 . LEU B 1 26 ? -23.968 -2.432 34.736 1.00 27.55 ? 26 LEU B CD1 1 ATOM 1880 C CD2 . LEU B 1 26 ? -26.412 -2.509 33.932 1.00 27.30 ? 26 LEU B CD2 1 ATOM 1881 N N . GLU B 1 27 ? -27.232 2.140 34.404 1.00 20.20 ? 27 GLU B N 1 ATOM 1882 C CA . GLU B 1 27 ? -27.324 3.524 34.786 1.00 20.16 ? 27 GLU B CA 1 ATOM 1883 C C . GLU B 1 27 ? -27.282 3.543 36.284 1.00 19.93 ? 27 GLU B C 1 ATOM 1884 O O . GLU B 1 27 ? -28.260 3.202 36.966 1.00 22.27 ? 27 GLU B O 1 ATOM 1885 C CB . GLU B 1 27 ? -28.604 4.172 34.298 1.00 20.90 ? 27 GLU B CB 1 ATOM 1886 C CG . GLU B 1 27 ? -28.621 5.643 34.646 1.00 21.73 ? 27 GLU B CG 1 ATOM 1887 C CD . GLU B 1 27 ? -29.949 6.271 34.368 1.00 21.89 ? 27 GLU B CD 1 ATOM 1888 O OE1 . GLU B 1 27 ? -30.259 6.497 33.174 1.00 20.58 ? 27 GLU B OE1 1 ATOM 1889 O OE2 . GLU B 1 27 ? -30.699 6.492 35.343 1.00 22.60 ? 27 GLU B OE2 1 ATOM 1890 N N . LYS B 1 28 ? -26.132 3.930 36.797 1.00 17.19 ? 28 LYS B N 1 ATOM 1891 C CA . LYS B 1 28 ? -25.935 3.997 38.222 1.00 16.57 ? 28 LYS B CA 1 ATOM 1892 C C . LYS B 1 28 ? -24.644 4.738 38.466 1.00 13.30 ? 28 LYS B C 1 ATOM 1893 O O . LYS B 1 28 ? -23.730 4.718 37.633 1.00 12.05 ? 28 LYS B O 1 ATOM 1894 C CB . LYS B 1 28 ? -25.863 2.598 38.840 1.00 20.13 ? 28 LYS B CB 1 ATOM 1895 C CG . LYS B 1 28 ? -24.689 1.733 38.416 1.00 23.90 ? 28 LYS B CG 1 ATOM 1896 C CD . LYS B 1 28 ? -24.699 0.484 39.281 1.00 26.72 ? 28 LYS B CD 1 ATOM 1897 C CE . LYS B 1 28 ? -23.692 -0.530 38.831 1.00 29.01 ? 28 LYS B CE 1 ATOM 1898 N NZ . LYS B 1 28 ? -23.950 -1.808 39.535 1.00 30.67 ? 28 LYS B NZ 1 ATOM 1899 N N . PRO B 1 29 ? -24.557 5.404 39.614 1.00 12.43 ? 29 PRO B N 1 ATOM 1900 C CA . PRO B 1 29 ? -23.275 5.969 40.022 1.00 12.50 ? 29 PRO B CA 1 ATOM 1901 C C . PRO B 1 29 ? -22.290 4.833 40.261 1.00 11.60 ? 29 PRO B C 1 ATOM 1902 O O . PRO B 1 29 ? -22.708 3.721 40.602 1.00 13.26 ? 29 PRO B O 1 ATOM 1903 C CB . PRO B 1 29 ? -23.595 6.691 41.331 1.00 14.49 ? 29 PRO B CB 1 ATOM 1904 C CG . PRO B 1 29 ? -25.061 6.623 41.515 1.00 15.30 ? 29 PRO B CG 1 ATOM 1905 C CD . PRO B 1 29 ? -25.605 5.565 40.635 1.00 14.09 ? 29 PRO B CD 1 ATOM 1906 N N . LEU B 1 30 ? -21.006 5.109 40.101 1.00 9.71 ? 30 LEU B N 1 ATOM 1907 C CA . LEU B 1 30 ? -19.989 4.086 40.307 1.00 10.25 ? 30 LEU B CA 1 ATOM 1908 C C . LEU B 1 30 ? -19.213 4.343 41.580 1.00 9.89 ? 30 LEU B C 1 ATOM 1909 O O . LEU B 1 30 ? -18.628 5.411 41.760 1.00 10.17 ? 30 LEU B O 1 ATOM 1910 C CB . LEU B 1 30 ? -19.016 4.030 39.128 1.00 12.14 ? 30 LEU B CB 1 ATOM 1911 C CG . LEU B 1 30 ? -19.657 3.758 37.774 1.00 14.53 ? 30 LEU B CG 1 ATOM 1912 C CD1 . LEU B 1 30 ? -18.598 3.856 36.692 1.00 15.33 ? 30 LEU B CD1 1 ATOM 1913 C CD2 . LEU B 1 30 ? -20.314 2.391 37.787 1.00 16.18 ? 30 LEU B CD2 1 ATOM 1914 N N . GLN B 1 31 ? -19.214 3.341 42.448 1.00 11.18 ? 31 GLN B N 1 ATOM 1915 C CA . GLN B 1 31 ? -18.371 3.314 43.623 1.00 13.13 ? 31 GLN B CA 1 ATOM 1916 C C . GLN B 1 31 ? -17.100 2.514 43.365 1.00 10.76 ? 31 GLN B C 1 ATOM 1917 O O . GLN B 1 31 ? -16.084 2.781 43.960 1.00 12.48 ? 31 GLN B O 1 ATOM 1918 C CB . GLN B 1 31 ? -19.124 2.679 44.785 1.00 18.78 ? 31 GLN B CB 1 ATOM 1919 C CG . GLN B 1 31 ? -18.421 2.854 46.118 1.00 24.53 ? 31 GLN B CG 1 ATOM 1920 C CD . GLN B 1 31 ? -19.213 2.325 47.295 1.00 28.00 ? 31 GLN B CD 1 ATOM 1921 O OE1 . GLN B 1 31 ? -20.456 2.326 47.292 1.00 29.51 ? 31 GLN B OE1 1 ATOM 1922 N NE2 . GLN B 1 31 ? -18.492 1.866 48.323 1.00 28.50 ? 31 GLN B NE2 1 ATOM 1923 N N . ASN B 1 32 ? -17.193 1.520 42.491 1.00 8.88 ? 32 ASN B N 1 ATOM 1924 C CA . ASN B 1 32 ? -16.092 0.628 42.128 1.00 8.53 ? 32 ASN B CA 1 ATOM 1925 C C . ASN B 1 32 ? -16.128 0.432 40.622 1.00 7.54 ? 32 ASN B C 1 ATOM 1926 O O . ASN B 1 32 ? -17.202 0.292 40.040 1.00 8.63 ? 32 ASN B O 1 ATOM 1927 C CB . ASN B 1 32 ? -16.289 -0.768 42.756 1.00 11.21 ? 32 ASN B CB 1 ATOM 1928 C CG . ASN B 1 32 ? -16.282 -0.766 44.277 1.00 16.21 ? 32 ASN B CG 1 ATOM 1929 O OD1 . ASN B 1 32 ? -15.536 -0.043 44.915 1.00 15.29 ? 32 ASN B OD1 1 ATOM 1930 N ND2 . ASN B 1 32 ? -17.098 -1.640 44.857 1.00 22.67 ? 32 ASN B ND2 1 ATOM 1931 N N . PHE B 1 33 ? -14.967 0.399 39.969 1.00 6.57 ? 33 PHE B N 1 ATOM 1932 C CA . PHE B 1 33 ? -14.932 -0.038 38.584 1.00 6.14 ? 33 PHE B CA 1 ATOM 1933 C C . PHE B 1 33 ? -13.565 -0.551 38.227 1.00 5.64 ? 33 PHE B C 1 ATOM 1934 O O . PHE B 1 33 ? -12.579 -0.249 38.893 1.00 5.56 ? 33 PHE B O 1 ATOM 1935 C CB . PHE B 1 33 ? -15.360 1.092 37.609 1.00 6.92 ? 33 PHE B CB 1 ATOM 1936 C CG . PHE B 1 33 ? -14.334 2.176 37.451 1.00 6.75 ? 33 PHE B CG 1 ATOM 1937 C CD1 . PHE B 1 33 ? -13.302 2.055 36.520 1.00 7.55 ? 33 PHE B CD1 1 ATOM 1938 C CD2 . PHE B 1 33 ? -14.377 3.308 38.238 1.00 7.91 ? 33 PHE B CD2 1 ATOM 1939 C CE1 . PHE B 1 33 ? -12.336 3.040 36.422 1.00 7.78 ? 33 PHE B CE1 1 ATOM 1940 C CE2 . PHE B 1 33 ? -13.428 4.280 38.127 1.00 7.52 ? 33 PHE B CE2 1 ATOM 1941 C CZ . PHE B 1 33 ? -12.414 4.151 37.219 1.00 8.01 ? 33 PHE B CZ 1 ATOM 1942 N N . THR B 1 34 ? -13.536 -1.320 37.143 1.00 5.07 ? 34 THR B N 1 ATOM 1943 C CA . THR B 1 34 ? -12.315 -1.671 36.448 1.00 5.50 ? 34 THR B CA 1 ATOM 1944 C C . THR B 1 34 ? -12.549 -1.469 34.964 1.00 5.43 ? 34 THR B C 1 ATOM 1945 O O . THR B 1 34 ? -13.576 -1.852 34.433 1.00 6.64 ? 34 THR B O 1 ATOM 1946 C CB . THR B 1 34 ? -11.891 -3.142 36.719 1.00 6.32 ? 34 THR B CB 1 ATOM 1947 O OG1 . THR B 1 34 ? -11.784 -3.353 38.124 1.00 6.98 ? 34 THR B OG1 1 ATOM 1948 C CG2 . THR B 1 34 ? -10.555 -3.465 36.076 1.00 6.95 ? 34 THR B CG2 1 ATOM 1949 N N . LEU B 1 35 ? -11.549 -0.907 34.286 1.00 4.57 ? 35 LEU B N 1 ATOM 1950 C CA . LEU B 1 35 ? -11.591 -0.700 32.851 1.00 4.62 ? 35 LEU B CA 1 ATOM 1951 C C . LEU B 1 35 ? -10.298 -1.274 32.271 1.00 5.27 ? 35 LEU B C 1 ATOM 1952 O O . LEU B 1 35 ? -9.213 -0.966 32.750 1.00 6.44 ? 35 LEU B O 1 ATOM 1953 C CB . LEU B 1 35 ? -11.664 0.813 32.567 1.00 6.40 ? 35 LEU B CB 1 ATOM 1954 C CG . LEU B 1 35 ? -11.474 1.284 31.133 1.00 7.49 ? 35 LEU B CG 1 ATOM 1955 C CD1 . LEU B 1 35 ? -12.634 0.869 30.281 1.00 7.93 ? 35 LEU B CD1 1 ATOM 1956 C CD2 . LEU B 1 35 ? -11.290 2.810 31.085 1.00 8.64 ? 35 LEU B CD2 1 ATOM 1957 N N A CYS B 1 36 ? -10.428 -2.138 31.263 0.69 4.04 ? 36 CYS B N 1 ATOM 1958 N N B CYS B 1 36 ? -10.403 -2.089 31.237 0.31 5.44 ? 36 CYS B N 1 ATOM 1959 C CA A CYS B 1 36 ? -9.288 -2.726 30.549 0.69 5.27 ? 36 CYS B CA 1 ATOM 1960 C CA B CYS B 1 36 ? -9.202 -2.503 30.542 0.31 6.37 ? 36 CYS B CA 1 ATOM 1961 C C A CYS B 1 36 ? -9.471 -2.479 29.048 0.69 4.42 ? 36 CYS B C 1 ATOM 1962 C C B CYS B 1 36 ? -9.439 -2.557 29.054 0.31 5.67 ? 36 CYS B C 1 ATOM 1963 O O A CYS B 1 36 ? -10.593 -2.439 28.545 0.69 5.18 ? 36 CYS B O 1 ATOM 1964 O O B CYS B 1 36 ? -10.539 -2.830 28.576 0.31 6.30 ? 36 CYS B O 1 ATOM 1965 C CB A CYS B 1 36 ? -9.203 -4.249 30.824 0.69 7.15 ? 36 CYS B CB 1 ATOM 1966 C CB B CYS B 1 36 ? -8.727 -3.860 31.036 0.31 7.96 ? 36 CYS B CB 1 ATOM 1967 S SG A CYS B 1 36 ? -8.878 -4.760 32.543 0.69 9.87 ? 36 CYS B SG 1 ATOM 1968 S SG B CYS B 1 36 ? -9.692 -5.193 30.391 0.31 9.36 ? 36 CYS B SG 1 ATOM 1969 N N . PHE B 1 37 ? -8.366 -2.301 28.329 1.00 5.04 ? 37 PHE B N 1 ATOM 1970 C CA . PHE B 1 37 ? -8.394 -2.249 26.886 1.00 5.02 ? 37 PHE B CA 1 ATOM 1971 C C . PHE B 1 37 ? -6.959 -2.352 26.383 1.00 5.11 ? 37 PHE B C 1 ATOM 1972 O O . PHE B 1 37 ? -6.007 -2.191 27.143 1.00 5.88 ? 37 PHE B O 1 ATOM 1973 C CB . PHE B 1 37 ? -9.054 -0.945 26.397 1.00 4.86 ? 37 PHE B CB 1 ATOM 1974 C CG . PHE B 1 37 ? -8.444 0.304 26.974 1.00 5.69 ? 37 PHE B CG 1 ATOM 1975 C CD1 . PHE B 1 37 ? -8.895 0.829 28.184 1.00 7.45 ? 37 PHE B CD1 1 ATOM 1976 C CD2 . PHE B 1 37 ? -7.407 0.944 26.319 1.00 7.50 ? 37 PHE B CD2 1 ATOM 1977 C CE1 . PHE B 1 37 ? -8.310 1.958 28.709 1.00 8.27 ? 37 PHE B CE1 1 ATOM 1978 C CE2 . PHE B 1 37 ? -6.845 2.068 26.836 1.00 8.51 ? 37 PHE B CE2 1 ATOM 1979 C CZ . PHE B 1 37 ? -7.278 2.570 28.033 1.00 9.06 ? 37 PHE B CZ 1 ATOM 1980 N N . ARG B 1 38 ? -6.829 -2.592 25.083 1.00 5.31 ? 38 ARG B N 1 ATOM 1981 C CA . ARG B 1 38 ? -5.547 -2.581 24.385 1.00 6.13 ? 38 ARG B CA 1 ATOM 1982 C C . ARG B 1 38 ? -5.474 -1.353 23.510 1.00 5.51 ? 38 ARG B C 1 ATOM 1983 O O . ARG B 1 38 ? -6.456 -0.964 22.897 1.00 6.97 ? 38 ARG B O 1 ATOM 1984 C CB . ARG B 1 38 ? -5.416 -3.813 23.490 1.00 9.19 ? 38 ARG B CB 1 ATOM 1985 C CG . ARG B 1 38 ? -5.460 -5.090 24.220 1.00 12.01 ? 38 ARG B CG 1 ATOM 1986 C CD . ARG B 1 38 ? -5.266 -6.272 23.284 1.00 13.36 ? 38 ARG B CD 1 ATOM 1987 N NE . ARG B 1 38 ? -5.689 -7.472 23.969 1.00 15.31 ? 38 ARG B NE 1 ATOM 1988 C CZ . ARG B 1 38 ? -4.957 -8.123 24.851 1.00 17.78 ? 38 ARG B CZ 1 ATOM 1989 N NH1 . ARG B 1 38 ? -3.715 -7.747 25.094 1.00 17.43 ? 38 ARG B NH1 1 ATOM 1990 N NH2 . ARG B 1 38 ? -5.464 -9.187 25.442 1.00 20.57 ? 38 ARG B NH2 1 ATOM 1991 N N . ALA B 1 39 ? -4.292 -0.765 23.411 1.00 4.78 ? 39 ALA B N 1 ATOM 1992 C CA . ALA B 1 39 ? -4.095 0.385 22.563 1.00 4.50 ? 39 ALA B CA 1 ATOM 1993 C C . ALA B 1 39 ? -2.749 0.323 21.864 1.00 3.98 ? 39 ALA B C 1 ATOM 1994 O O . ALA B 1 39 ? -1.774 -0.201 22.389 1.00 5.64 ? 39 ALA B O 1 ATOM 1995 C CB . ALA B 1 39 ? -4.179 1.673 23.370 1.00 5.93 ? 39 ALA B CB 1 ATOM 1996 N N . TYR B 1 40 ? -2.699 0.919 20.690 1.00 4.08 ? 40 TYR B N 1 ATOM 1997 C CA . TYR B 1 40 ? -1.456 1.005 19.938 1.00 4.34 ? 40 TYR B CA 1 ATOM 1998 C C . TYR B 1 40 ? -1.433 2.373 19.254 1.00 4.19 ? 40 TYR B C 1 ATOM 1999 O O . TYR B 1 40 ? -2.235 2.651 18.360 1.00 5.02 ? 40 TYR B O 1 ATOM 2000 C CB . TYR B 1 40 ? -1.366 -0.179 18.958 1.00 4.99 ? 40 TYR B CB 1 ATOM 2001 C CG . TYR B 1 40 ? -0.054 -0.396 18.221 1.00 4.40 ? 40 TYR B CG 1 ATOM 2002 C CD1 . TYR B 1 40 ? 1.164 0.094 18.699 1.00 4.65 ? 40 TYR B CD1 1 ATOM 2003 C CD2 . TYR B 1 40 ? -0.054 -1.108 17.041 1.00 4.76 ? 40 TYR B CD2 1 ATOM 2004 C CE1 . TYR B 1 40 ? 2.356 -0.145 18.004 1.00 5.18 ? 40 TYR B CE1 1 ATOM 2005 C CE2 . TYR B 1 40 ? 1.120 -1.337 16.345 1.00 5.25 ? 40 TYR B CE2 1 ATOM 2006 C CZ . TYR B 1 40 ? 2.306 -0.845 16.824 1.00 4.98 ? 40 TYR B CZ 1 ATOM 2007 O OH . TYR B 1 40 ? 3.487 -1.081 16.122 1.00 6.23 ? 40 TYR B OH 1 ATOM 2008 N N . SER B 1 41 ? -0.489 3.209 19.664 1.00 4.69 ? 41 SER B N 1 ATOM 2009 C CA . SER B 1 41 ? -0.339 4.558 19.129 1.00 5.33 ? 41 SER B CA 1 ATOM 2010 C C . SER B 1 41 ? 1.133 4.919 19.071 1.00 6.30 ? 41 SER B C 1 ATOM 2011 O O . SER B 1 41 ? 1.892 4.526 19.956 1.00 8.74 ? 41 SER B O 1 ATOM 2012 C CB . SER B 1 41 ? -1.077 5.550 20.041 1.00 5.43 ? 41 SER B CB 1 ATOM 2013 O OG . SER B 1 41 ? -0.878 6.913 19.654 1.00 7.10 ? 41 SER B OG 1 ATOM 2014 N N . ASP B 1 42 ? 1.523 5.704 18.075 1.00 5.53 ? 42 ASP B N 1 ATOM 2015 C CA . ASP B 1 42 ? 2.869 6.248 18.034 1.00 6.17 ? 42 ASP B CA 1 ATOM 2016 C C . ASP B 1 42 ? 2.898 7.760 18.241 1.00 5.05 ? 42 ASP B C 1 ATOM 2017 O O . ASP B 1 42 ? 3.874 8.414 17.922 1.00 6.67 ? 42 ASP B O 1 ATOM 2018 C CB . ASP B 1 42 ? 3.656 5.781 16.809 1.00 6.92 ? 42 ASP B CB 1 ATOM 2019 C CG . ASP B 1 42 ? 3.032 6.162 15.489 1.00 7.70 ? 42 ASP B CG 1 ATOM 2020 O OD1 . ASP B 1 42 ? 2.229 7.094 15.417 1.00 8.47 ? 42 ASP B OD1 1 ATOM 2021 O OD2 . ASP B 1 42 ? 3.428 5.524 14.465 1.00 8.69 ? 42 ASP B OD2 1 ATOM 2022 N N . LEU B 1 43 ? 1.861 8.315 18.861 1.00 5.56 ? 43 LEU B N 1 ATOM 2023 C CA . LEU B 1 43 ? 1.915 9.697 19.286 1.00 6.15 ? 43 LEU B CA 1 ATOM 2024 C C . LEU B 1 43 ? 2.892 9.867 20.442 1.00 6.93 ? 43 LEU B C 1 ATOM 2025 O O . LEU B 1 43 ? 2.954 9.028 21.329 1.00 8.22 ? 43 LEU B O 1 ATOM 2026 C CB . LEU B 1 43 ? 0.534 10.139 19.796 1.00 5.48 ? 43 LEU B CB 1 ATOM 2027 C CG . LEU B 1 43 ? -0.572 10.353 18.765 1.00 6.69 ? 43 LEU B CG 1 ATOM 2028 C CD1 . LEU B 1 43 ? -1.891 10.602 19.470 1.00 6.60 ? 43 LEU B CD1 1 ATOM 2029 C CD2 . LEU B 1 43 ? -0.242 11.511 17.806 1.00 7.44 ? 43 LEU B CD2 1 ATOM 2030 N N . SER B 1 44 ? 3.645 10.957 20.423 1.00 8.37 ? 44 SER B N 1 ATOM 2031 C CA . SER B 1 44 ? 4.472 11.360 21.566 1.00 9.96 ? 44 SER B CA 1 ATOM 2032 C C . SER B 1 44 ? 3.821 12.441 22.430 1.00 9.52 ? 44 SER B C 1 ATOM 2033 O O . SER B 1 44 ? 4.160 12.587 23.616 1.00 11.00 ? 44 SER B O 1 ATOM 2034 C CB . SER B 1 44 ? 5.827 11.873 21.078 1.00 12.65 ? 44 SER B CB 1 ATOM 2035 O OG . SER B 1 44 ? 6.586 10.815 20.552 1.00 15.47 ? 44 SER B OG 1 ATOM 2036 N N . ARG B 1 45 ? 2.937 13.229 21.834 1.00 8.60 ? 45 ARG B N 1 ATOM 2037 C CA . ARG B 1 45 ? 2.238 14.262 22.564 1.00 8.16 ? 45 ARG B CA 1 ATOM 2038 C C . ARG B 1 45 ? 1.213 13.587 23.462 1.00 7.86 ? 45 ARG B C 1 ATOM 2039 O O . ARG B 1 45 ? 0.981 12.372 23.384 1.00 8.18 ? 45 ARG B O 1 ATOM 2040 C CB . ARG B 1 45 ? 1.552 15.251 21.608 1.00 8.15 ? 45 ARG B CB 1 ATOM 2041 C CG . ARG B 1 45 ? 0.453 14.645 20.722 1.00 8.32 ? 45 ARG B CG 1 ATOM 2042 C CD . ARG B 1 45 ? -0.521 15.738 20.225 1.00 8.02 ? 45 ARG B CD 1 ATOM 2043 N NE . ARG B 1 45 ? -1.394 15.219 19.187 1.00 7.83 ? 45 ARG B NE 1 ATOM 2044 C CZ . ARG B 1 45 ? -2.485 14.484 19.397 1.00 6.35 ? 45 ARG B CZ 1 ATOM 2045 N NH1 . ARG B 1 45 ? -2.882 14.176 20.622 1.00 5.85 ? 45 ARG B NH1 1 ATOM 2046 N NH2 . ARG B 1 45 ? -3.175 14.034 18.360 1.00 7.96 ? 45 ARG B NH2 1 ATOM 2047 N N . ALA B 1 46 ? 0.594 14.370 24.333 1.00 8.67 ? 46 ALA B N 1 ATOM 2048 C CA . ALA B 1 46 ? -0.454 13.859 25.213 1.00 8.20 ? 46 ALA B CA 1 ATOM 2049 C C . ALA B 1 46 ? -1.715 13.502 24.446 1.00 7.56 ? 46 ALA B C 1 ATOM 2050 O O . ALA B 1 46 ? -2.016 14.091 23.398 1.00 8.92 ? 46 ALA B O 1 ATOM 2051 C CB . ALA B 1 46 ? -0.768 14.888 26.290 1.00 10.46 ? 46 ALA B CB 1 ATOM 2052 N N . TYR B 1 47 ? -2.451 12.541 24.978 1.00 6.63 ? 47 TYR B N 1 ATOM 2053 C CA . TYR B 1 47 ? -3.723 12.157 24.398 1.00 6.36 ? 47 TYR B CA 1 ATOM 2054 C C . TYR B 1 47 ? -4.647 11.482 25.397 1.00 6.11 ? 47 TYR B C 1 ATOM 2055 O O . TYR B 1 47 ? -4.199 10.880 26.354 1.00 5.91 ? 47 TYR B O 1 ATOM 2056 C CB . TYR B 1 47 ? -3.518 11.260 23.185 1.00 6.65 ? 47 TYR B CB 1 ATOM 2057 C CG . TYR B 1 47 ? -2.668 10.025 23.385 1.00 6.34 ? 47 TYR B CG 1 ATOM 2058 C CD1 . TYR B 1 47 ? -3.224 8.833 23.816 1.00 7.32 ? 47 TYR B CD1 1 ATOM 2059 C CD2 . TYR B 1 47 ? -1.327 10.039 23.056 1.00 6.80 ? 47 TYR B CD2 1 ATOM 2060 C CE1 . TYR B 1 47 ? -2.442 7.684 23.935 1.00 7.29 ? 47 TYR B CE1 1 ATOM 2061 C CE2 . TYR B 1 47 ? -0.542 8.910 23.173 1.00 7.45 ? 47 TYR B CE2 1 ATOM 2062 C CZ . TYR B 1 47 ? -1.106 7.728 23.593 1.00 7.63 ? 47 TYR B CZ 1 ATOM 2063 O OH . TYR B 1 47 ? -0.324 6.580 23.698 1.00 9.33 ? 47 TYR B OH 1 ATOM 2064 N N . SER B 1 48 ? -5.941 11.580 25.135 1.00 5.48 ? 48 SER B N 1 ATOM 2065 C CA . SER B 1 48 ? -6.943 10.880 25.898 1.00 6.05 ? 48 SER B CA 1 ATOM 2066 C C . SER B 1 48 ? -7.153 9.452 25.405 1.00 5.49 ? 48 SER B C 1 ATOM 2067 O O . SER B 1 48 ? -7.254 9.214 24.207 1.00 7.41 ? 48 SER B O 1 ATOM 2068 C CB . SER B 1 48 ? -8.255 11.657 25.807 1.00 7.38 ? 48 SER B CB 1 ATOM 2069 O OG . SER B 1 48 ? -9.286 11.041 26.576 1.00 8.85 ? 48 SER B OG 1 ATOM 2070 N N . LEU B 1 49 ? -7.212 8.513 26.345 1.00 4.68 ? 49 LEU B N 1 ATOM 2071 C CA . LEU B 1 49 ? -7.543 7.128 26.061 1.00 5.12 ? 49 LEU B CA 1 ATOM 2072 C C . LEU B 1 49 ? -9.021 6.803 26.257 1.00 5.06 ? 49 LEU B C 1 ATOM 2073 O O . LEU B 1 49 ? -9.606 6.066 25.464 1.00 6.81 ? 49 LEU B O 1 ATOM 2074 C CB . LEU B 1 49 ? -6.679 6.205 26.912 1.00 7.31 ? 49 LEU B CB 1 ATOM 2075 C CG . LEU B 1 49 ? -5.234 6.155 26.423 1.00 9.29 ? 49 LEU B CG 1 ATOM 2076 C CD1 . LEU B 1 49 ? -4.333 5.563 27.493 1.00 10.71 ? 49 LEU B CD1 1 ATOM 2077 C CD2 . LEU B 1 49 ? -5.162 5.327 25.135 1.00 10.09 ? 49 LEU B CD2 1 ATOM 2078 N N . PHE B 1 50 ? -9.631 7.339 27.305 1.00 4.99 ? 50 PHE B N 1 ATOM 2079 C CA . PHE B 1 50 ? -11.021 7.015 27.645 1.00 4.12 ? 50 PHE B CA 1 ATOM 2080 C C . PHE B 1 50 ? -11.584 8.210 28.396 1.00 3.84 ? 50 PHE B C 1 ATOM 2081 O O . PHE B 1 50 ? -11.070 8.567 29.443 1.00 5.12 ? 50 PHE B O 1 ATOM 2082 C CB . PHE B 1 50 ? -11.046 5.759 28.521 1.00 4.57 ? 50 PHE B CB 1 ATOM 2083 C CG . PHE B 1 50 ? -12.437 5.274 28.925 1.00 4.69 ? 50 PHE B CG 1 ATOM 2084 C CD1 . PHE B 1 50 ? -13.059 5.755 30.065 1.00 6.18 ? 50 PHE B CD1 1 ATOM 2085 C CD2 . PHE B 1 50 ? -13.096 4.338 28.172 1.00 5.45 ? 50 PHE B CD2 1 ATOM 2086 C CE1 . PHE B 1 50 ? -14.287 5.276 30.458 1.00 7.34 ? 50 PHE B CE1 1 ATOM 2087 C CE2 . PHE B 1 50 ? -14.313 3.851 28.571 1.00 6.10 ? 50 PHE B CE2 1 ATOM 2088 C CZ . PHE B 1 50 ? -14.907 4.315 29.709 1.00 7.02 ? 50 PHE B CZ 1 ATOM 2089 N N . SER B 1 51 ? -12.614 8.834 27.836 1.00 3.58 ? 51 SER B N 1 ATOM 2090 C CA . SER B 1 51 ? -13.183 10.061 28.361 1.00 4.31 ? 51 SER B CA 1 ATOM 2091 C C . SER B 1 51 ? -14.655 9.861 28.746 1.00 4.29 ? 51 SER B C 1 ATOM 2092 O O . SER B 1 51 ? -15.494 9.526 27.923 1.00 5.88 ? 51 SER B O 1 ATOM 2093 C CB . SER B 1 51 ? -13.008 11.128 27.281 1.00 5.08 ? 51 SER B CB 1 ATOM 2094 O OG . SER B 1 51 ? -13.723 12.333 27.597 1.00 5.42 ? 51 SER B OG 1 ATOM 2095 N N . TYR B 1 52 ? -14.960 10.074 30.026 1.00 4.12 ? 52 TYR B N 1 ATOM 2096 C CA . TYR B 1 52 ? -16.296 9.868 30.587 1.00 4.76 ? 52 TYR B CA 1 ATOM 2097 C C . TYR B 1 52 ? -16.670 11.181 31.285 1.00 4.85 ? 52 TYR B C 1 ATOM 2098 O O . TYR B 1 52 ? -16.049 11.577 32.260 1.00 5.37 ? 52 TYR B O 1 ATOM 2099 C CB . TYR B 1 52 ? -16.208 8.665 31.510 1.00 4.83 ? 52 TYR B CB 1 ATOM 2100 C CG . TYR B 1 52 ? -17.359 8.274 32.430 1.00 4.99 ? 52 TYR B CG 1 ATOM 2101 C CD1 . TYR B 1 52 ? -17.886 9.143 33.387 1.00 5.76 ? 52 TYR B CD1 1 ATOM 2102 C CD2 . TYR B 1 52 ? -17.840 6.964 32.412 1.00 6.29 ? 52 TYR B CD2 1 ATOM 2103 C CE1 . TYR B 1 52 ? -18.874 8.721 34.277 1.00 6.43 ? 52 TYR B CE1 1 ATOM 2104 C CE2 . TYR B 1 52 ? -18.823 6.554 33.293 1.00 6.01 ? 52 TYR B CE2 1 ATOM 2105 C CZ . TYR B 1 52 ? -19.339 7.437 34.210 1.00 7.20 ? 52 TYR B CZ 1 ATOM 2106 O OH . TYR B 1 52 ? -20.330 6.993 35.079 1.00 9.56 ? 52 TYR B OH 1 ATOM 2107 N N . ASN B 1 53 ? -17.650 11.889 30.719 1.00 4.83 ? 53 ASN B N 1 ATOM 2108 C CA . ASN B 1 53 ? -18.151 13.145 31.253 1.00 4.96 ? 53 ASN B CA 1 ATOM 2109 C C . ASN B 1 53 ? -19.623 12.975 31.573 1.00 5.36 ? 53 ASN B C 1 ATOM 2110 O O . ASN B 1 53 ? -20.333 12.204 30.937 1.00 6.13 ? 53 ASN B O 1 ATOM 2111 C CB . ASN B 1 53 ? -17.998 14.304 30.240 1.00 5.28 ? 53 ASN B CB 1 ATOM 2112 C CG . ASN B 1 53 ? -16.629 14.966 30.277 1.00 5.72 ? 53 ASN B CG 1 ATOM 2113 O OD1 . ASN B 1 53 ? -15.671 14.391 30.760 1.00 6.57 ? 53 ASN B OD1 1 ATOM 2114 N ND2 . ASN B 1 53 ? -16.531 16.177 29.752 1.00 6.61 ? 53 ASN B ND2 1 ATOM 2115 N N . THR B 1 54 ? -20.082 13.732 32.546 1.00 6.29 ? 54 THR B N 1 ATOM 2116 C CA . THR B 1 54 ? -21.506 13.771 32.874 1.00 6.15 ? 54 THR B CA 1 ATOM 2117 C C . THR B 1 54 ? -21.999 15.210 32.732 1.00 7.12 ? 54 THR B C 1 ATOM 2118 O O . THR B 1 54 ? -21.210 16.138 32.512 1.00 7.69 ? 54 THR B O 1 ATOM 2119 C CB . THR B 1 54 ? -21.785 13.185 34.250 1.00 7.68 ? 54 THR B CB 1 ATOM 2120 O OG1 . THR B 1 54 ? -21.072 13.942 35.239 1.00 9.56 ? 54 THR B OG1 1 ATOM 2121 C CG2 . THR B 1 54 ? -21.370 11.705 34.304 1.00 7.92 ? 54 THR B CG2 1 ATOM 2122 N N . GLN B 1 55 ? -23.307 15.407 32.787 1.00 7.79 ? 55 GLN B N 1 ATOM 2123 C CA . GLN B 1 55 ? -23.859 16.733 32.515 1.00 9.51 ? 55 GLN B CA 1 ATOM 2124 C C . GLN B 1 55 ? -23.311 17.741 33.506 1.00 9.24 ? 55 GLN B C 1 ATOM 2125 O O . GLN B 1 55 ? -23.427 17.539 34.718 1.00 10.58 ? 55 GLN B O 1 ATOM 2126 C CB . GLN B 1 55 ? -25.382 16.685 32.605 1.00 12.41 ? 55 GLN B CB 1 ATOM 2127 C CG . GLN B 1 55 ? -26.081 18.032 32.360 1.00 16.78 ? 55 GLN B CG 1 ATOM 2128 C CD . GLN B 1 55 ? -25.713 18.674 31.023 1.00 21.74 ? 55 GLN B CD 1 ATOM 2129 O OE1 . GLN B 1 55 ? -25.240 19.816 30.977 1.00 25.75 ? 55 GLN B OE1 1 ATOM 2130 N NE2 . GLN B 1 55 ? -25.929 17.953 29.940 1.00 22.52 ? 55 GLN B NE2 1 ATOM 2131 N N . GLY B 1 56 ? -22.666 18.781 32.992 1.00 8.79 ? 56 GLY B N 1 ATOM 2132 C CA . GLY B 1 56 ? -22.073 19.810 33.814 1.00 8.77 ? 56 GLY B CA 1 ATOM 2133 C C . GLY B 1 56 ? -20.790 19.436 34.529 1.00 7.92 ? 56 GLY B C 1 ATOM 2134 O O . GLY B 1 56 ? -20.302 20.248 35.331 1.00 10.36 ? 56 GLY B O 1 ATOM 2135 N N . ARG B 1 57 ? -20.231 18.252 34.251 1.00 7.95 ? 57 ARG B N 1 ATOM 2136 C CA . ARG B 1 57 ? -19.044 17.776 34.958 1.00 8.24 ? 57 ARG B CA 1 ATOM 2137 C C . ARG B 1 57 ? -17.999 17.251 33.978 1.00 7.77 ? 57 ARG B C 1 ATOM 2138 O O . ARG B 1 57 ? -18.163 16.184 33.388 1.00 9.23 ? 57 ARG B O 1 ATOM 2139 C CB . ARG B 1 57 ? -19.428 16.669 35.946 1.00 10.17 ? 57 ARG B CB 1 ATOM 2140 C CG . ARG B 1 57 ? -20.326 17.144 37.094 1.00 14.30 ? 57 ARG B CG 1 ATOM 2141 C CD . ARG B 1 57 ? -19.516 17.956 38.083 1.00 19.54 ? 57 ARG B CD 1 ATOM 2142 N NE . ARG B 1 57 ? -20.287 18.138 39.308 1.00 23.63 ? 57 ARG B NE 1 ATOM 2143 C CZ . ARG B 1 57 ? -20.706 19.300 39.800 1.00 26.04 ? 57 ARG B CZ 1 ATOM 2144 N NH1 . ARG B 1 57 ? -20.396 20.455 39.211 1.00 27.06 ? 57 ARG B NH1 1 ATOM 2145 N NH2 . ARG B 1 57 ? -21.426 19.306 40.910 1.00 27.52 ? 57 ARG B NH2 1 ATOM 2146 N N . ASP B 1 58 ? -16.925 18.012 33.822 1.00 6.51 ? 58 ASP B N 1 ATOM 2147 C CA . ASP B 1 58 ? -15.791 17.591 32.990 1.00 6.13 ? 58 ASP B CA 1 ATOM 2148 C C . ASP B 1 58 ? -14.925 16.623 33.755 1.00 6.31 ? 58 ASP B C 1 ATOM 2149 O O . ASP B 1 58 ? -14.841 16.679 34.972 1.00 7.77 ? 58 ASP B O 1 ATOM 2150 C CB . ASP B 1 58 ? -14.965 18.817 32.616 1.00 7.00 ? 58 ASP B CB 1 ATOM 2151 C CG . ASP B 1 58 ? -13.955 18.546 31.524 1.00 7.11 ? 58 ASP B CG 1 ATOM 2152 O OD1 . ASP B 1 58 ? -14.233 17.727 30.622 1.00 6.90 ? 58 ASP B OD1 1 ATOM 2153 O OD2 . ASP B 1 58 ? -12.861 19.148 31.557 1.00 8.92 ? 58 ASP B OD2 1 ATOM 2154 N N . ASN B 1 59 ? -14.247 15.755 33.023 1.00 6.12 ? 59 ASN B N 1 ATOM 2155 C CA . ASN B 1 59 ? -13.249 14.845 33.588 1.00 5.44 ? 59 ASN B CA 1 ATOM 2156 C C . ASN B 1 59 ? -13.781 14.086 34.793 1.00 5.45 ? 59 ASN B C 1 ATOM 2157 O O . ASN B 1 59 ? -13.113 13.955 35.819 1.00 6.60 ? 59 ASN B O 1 ATOM 2158 C CB . ASN B 1 59 ? -11.995 15.631 33.968 1.00 6.36 ? 59 ASN B CB 1 ATOM 2159 C CG . ASN B 1 59 ? -11.364 16.313 32.782 1.00 6.23 ? 59 ASN B CG 1 ATOM 2160 O OD1 . ASN B 1 59 ? -11.810 16.147 31.658 1.00 6.48 ? 59 ASN B OD1 1 ATOM 2161 N ND2 . ASN B 1 59 ? -10.348 17.107 33.028 1.00 7.68 ? 59 ASN B ND2 1 ATOM 2162 N N . GLU B 1 60 ? -14.973 13.534 34.634 1.00 6.26 ? 60 GLU B N 1 ATOM 2163 C CA . GLU B 1 60 ? -15.593 12.771 35.707 1.00 5.61 ? 60 GLU B CA 1 ATOM 2164 C C . GLU B 1 60 ? -14.890 11.426 35.884 1.00 5.18 ? 60 GLU B C 1 ATOM 2165 O O . GLU B 1 60 ? -14.675 10.972 36.985 1.00 6.22 ? 60 GLU B O 1 ATOM 2166 C CB . GLU B 1 60 ? -17.080 12.599 35.415 1.00 6.39 ? 60 GLU B CB 1 ATOM 2167 C CG . GLU B 1 60 ? -17.899 11.974 36.528 1.00 6.63 ? 60 GLU B CG 1 ATOM 2168 C CD . GLU B 1 60 ? -17.919 12.770 37.836 1.00 7.43 ? 60 GLU B CD 1 ATOM 2169 O OE1 . GLU B 1 60 ? -17.532 13.960 37.877 1.00 8.58 ? 60 GLU B OE1 1 ATOM 2170 O OE2 . GLU B 1 60 ? -18.308 12.174 38.864 1.00 8.56 ? 60 GLU B OE2 1 ATOM 2171 N N . LEU B 1 61 ? -14.488 10.823 34.772 1.00 5.41 ? 61 LEU B N 1 ATOM 2172 C CA . LEU B 1 61 ? -13.647 9.645 34.762 1.00 5.12 ? 61 LEU B CA 1 ATOM 2173 C C . LEU B 1 61 ? -12.825 9.764 33.481 1.00 4.87 ? 61 LEU B C 1 ATOM 2174 O O . LEU B 1 61 ? -13.374 9.742 32.399 1.00 7.24 ? 61 LEU B O 1 ATOM 2175 C CB . LEU B 1 61 ? -14.489 8.363 34.830 1.00 6.26 ? 61 LEU B CB 1 ATOM 2176 C CG . LEU B 1 61 ? -13.799 7.019 35.104 1.00 8.08 ? 61 LEU B CG 1 ATOM 2177 C CD1 . LEU B 1 61 ? -14.868 5.911 35.248 1.00 9.45 ? 61 LEU B CD1 1 ATOM 2178 C CD2 . LEU B 1 61 ? -12.789 6.645 34.030 1.00 10.42 ? 61 LEU B CD2 1 ATOM 2179 N N . LEU B 1 62 ? -11.515 9.949 33.594 1.00 4.51 ? 62 LEU B N 1 ATOM 2180 C CA . LEU B 1 62 ? -10.684 10.138 32.409 1.00 4.30 ? 62 LEU B CA 1 ATOM 2181 C C . LEU B 1 62 ? -9.385 9.378 32.549 1.00 4.28 ? 62 LEU B C 1 ATOM 2182 O O . LEU B 1 62 ? -8.715 9.506 33.559 1.00 4.89 ? 62 LEU B O 1 ATOM 2183 C CB . LEU B 1 62 ? -10.415 11.631 32.194 1.00 5.05 ? 62 LEU B CB 1 ATOM 2184 C CG . LEU B 1 62 ? -9.365 12.031 31.155 1.00 6.05 ? 62 LEU B CG 1 ATOM 2185 C CD1 . LEU B 1 62 ? -9.747 11.679 29.727 1.00 5.92 ? 62 LEU B CD1 1 ATOM 2186 C CD2 . LEU B 1 62 ? -9.113 13.528 31.250 1.00 6.31 ? 62 LEU B CD2 1 ATOM 2187 N N . VAL B 1 63 ? -9.046 8.592 31.535 1.00 4.40 ? 63 VAL B N 1 ATOM 2188 C CA . VAL B 1 63 ? -7.748 7.928 31.443 1.00 4.54 ? 63 VAL B CA 1 ATOM 2189 C C . VAL B 1 63 ? -6.946 8.656 30.357 1.00 4.10 ? 63 VAL B C 1 ATOM 2190 O O . VAL B 1 63 ? -7.400 8.757 29.207 1.00 5.37 ? 63 VAL B O 1 ATOM 2191 C CB . VAL B 1 63 ? -7.899 6.445 31.094 1.00 5.60 ? 63 VAL B CB 1 ATOM 2192 C CG1 . VAL B 1 63 ? -6.523 5.761 31.068 1.00 6.62 ? 63 VAL B CG1 1 ATOM 2193 C CG2 . VAL B 1 63 ? -8.827 5.749 32.098 1.00 7.18 ? 63 VAL B CG2 1 ATOM 2194 N N . TYR B 1 64 ? -5.819 9.238 30.755 1.00 4.58 ? 64 TYR B N 1 ATOM 2195 C CA . TYR B 1 64 ? -5.093 10.190 29.925 1.00 5.64 ? 64 TYR B CA 1 ATOM 2196 C C . TYR B 1 64 ? -3.618 9.828 29.937 1.00 5.75 ? 64 TYR B C 1 ATOM 2197 O O . TYR B 1 64 ? -3.070 9.495 30.956 1.00 6.51 ? 64 TYR B O 1 ATOM 2198 C CB . TYR B 1 64 ? -5.312 11.584 30.507 1.00 6.88 ? 64 TYR B CB 1 ATOM 2199 C CG . TYR B 1 64 ? -4.911 12.740 29.626 1.00 6.97 ? 64 TYR B CG 1 ATOM 2200 C CD1 . TYR B 1 64 ? -5.723 13.151 28.581 1.00 7.16 ? 64 TYR B CD1 1 ATOM 2201 C CD2 . TYR B 1 64 ? -3.750 13.455 29.868 1.00 7.42 ? 64 TYR B CD2 1 ATOM 2202 C CE1 . TYR B 1 64 ? -5.387 14.210 27.779 1.00 7.97 ? 64 TYR B CE1 1 ATOM 2203 C CE2 . TYR B 1 64 ? -3.399 14.541 29.069 1.00 8.31 ? 64 TYR B CE2 1 ATOM 2204 C CZ . TYR B 1 64 ? -4.222 14.918 28.035 1.00 8.75 ? 64 TYR B CZ 1 ATOM 2205 O OH . TYR B 1 64 ? -3.915 16.001 27.251 1.00 10.69 ? 64 TYR B OH 1 ATOM 2206 N N . LYS B 1 65 ? -2.981 9.916 28.781 1.00 6.57 ? 65 LYS B N 1 ATOM 2207 C CA . LYS B 1 65 ? -1.568 9.614 28.634 1.00 7.46 ? 65 LYS B CA 1 ATOM 2208 C C . LYS B 1 65 ? -0.814 10.918 28.419 1.00 8.99 ? 65 LYS B C 1 ATOM 2209 O O . LYS B 1 65 ? -0.861 11.523 27.356 1.00 9.07 ? 65 LYS B O 1 ATOM 2210 C CB . LYS B 1 65 ? -1.382 8.674 27.444 1.00 8.91 ? 65 LYS B CB 1 ATOM 2211 C CG . LYS B 1 65 ? 0.032 8.152 27.308 1.00 10.92 ? 65 LYS B CG 1 ATOM 2212 C CD . LYS B 1 65 ? 0.232 6.946 28.210 1.00 13.03 ? 65 LYS B CD 1 ATOM 2213 C CE . LYS B 1 65 ? 1.651 6.448 28.198 1.00 13.41 ? 65 LYS B CE 1 ATOM 2214 N NZ . LYS B 1 65 ? 2.093 6.186 26.830 1.00 14.50 ? 65 LYS B NZ 1 ATOM 2215 N N . GLU B 1 66 ? -0.127 11.352 29.452 1.00 12.09 ? 66 GLU B N 1 ATOM 2216 C CA . GLU B 1 66 ? 0.556 12.626 29.472 1.00 14.89 ? 66 GLU B CA 1 ATOM 2217 C C . GLU B 1 66 ? 1.775 12.654 28.558 1.00 13.05 ? 66 GLU B C 1 ATOM 2218 O O . GLU B 1 66 ? 2.077 13.647 27.886 1.00 13.58 ? 66 GLU B O 1 ATOM 2219 C CB . GLU B 1 66 ? 1.054 12.831 30.910 1.00 18.34 ? 66 GLU B CB 1 ATOM 2220 C CG . GLU B 1 66 ? -0.011 12.557 32.015 1.00 20.88 ? 66 GLU B CG 1 ATOM 2221 C CD . GLU B 1 66 ? -0.902 13.755 32.237 1.00 22.14 ? 66 GLU B CD 1 ATOM 2222 O OE1 . GLU B 1 66 ? -0.582 14.781 31.605 1.00 24.18 ? 66 GLU B OE1 1 ATOM 2223 O OE2 . GLU B 1 66 ? -1.907 13.678 33.011 1.00 21.35 ? 66 GLU B OE2 1 ATOM 2224 N N . ARG B 1 67 ? 2.500 11.553 28.598 1.00 10.62 ? 67 ARG B N 1 ATOM 2225 C CA . ARG B 1 67 ? 3.752 11.386 27.867 1.00 10.41 ? 67 ARG B CA 1 ATOM 2226 C C . ARG B 1 67 ? 4.153 9.931 28.030 1.00 9.33 ? 67 ARG B C 1 ATOM 2227 O O . ARG B 1 67 ? 3.549 9.206 28.814 1.00 9.71 ? 67 ARG B O 1 ATOM 2228 C CB . ARG B 1 67 ? 4.845 12.308 28.440 1.00 11.90 ? 67 ARG B CB 1 ATOM 2229 C CG . ARG B 1 67 ? 5.110 12.091 29.925 1.00 13.54 ? 67 ARG B CG 1 ATOM 2230 C CD . ARG B 1 67 ? 6.191 13.021 30.465 1.00 16.80 ? 67 ARG B CD 1 ATOM 2231 N NE . ARG B 1 67 ? 5.865 14.433 30.272 1.00 19.91 ? 67 ARG B NE 1 ATOM 2232 C CZ . ARG B 1 67 ? 5.062 15.131 31.068 1.00 22.91 ? 67 ARG B CZ 1 ATOM 2233 N NH1 . ARG B 1 67 ? 4.496 14.553 32.118 1.00 23.73 ? 67 ARG B NH1 1 ATOM 2234 N NH2 . ARG B 1 67 ? 4.820 16.418 30.819 1.00 25.34 ? 67 ARG B NH2 1 ATOM 2235 N N A VAL B 1 68 ? 5.200 9.505 27.333 0.55 10.09 ? 68 VAL B N 1 ATOM 2236 N N B VAL B 1 68 ? 5.177 9.501 27.306 0.45 9.97 ? 68 VAL B N 1 ATOM 2237 C CA A VAL B 1 68 ? 5.630 8.116 27.382 0.55 10.91 ? 68 VAL B CA 1 ATOM 2238 C CA B VAL B 1 68 ? 5.613 8.122 27.399 0.45 10.55 ? 68 VAL B CA 1 ATOM 2239 C C A VAL B 1 68 ? 5.965 7.721 28.815 0.55 10.61 ? 68 VAL B C 1 ATOM 2240 C C B VAL B 1 68 ? 5.869 7.770 28.854 0.45 10.21 ? 68 VAL B C 1 ATOM 2241 O O A VAL B 1 68 ? 6.650 8.444 29.537 0.55 11.33 ? 68 VAL B O 1 ATOM 2242 O O B VAL B 1 68 ? 6.400 8.566 29.629 0.45 10.55 ? 68 VAL B O 1 ATOM 2243 C CB A VAL B 1 68 ? 6.846 7.854 26.445 0.55 12.60 ? 68 VAL B CB 1 ATOM 2244 C CB B VAL B 1 68 ? 6.887 7.840 26.567 0.45 11.85 ? 68 VAL B CB 1 ATOM 2245 C CG1 A VAL B 1 68 ? 7.298 6.390 26.506 0.55 11.55 ? 68 VAL B CG1 1 ATOM 2246 C CG1 B VAL B 1 68 ? 6.585 7.893 25.088 0.45 14.32 ? 68 VAL B CG1 1 ATOM 2247 C CG2 A VAL B 1 68 ? 6.497 8.150 25.038 0.55 15.16 ? 68 VAL B CG2 1 ATOM 2248 C CG2 B VAL B 1 68 ? 8.006 8.794 26.948 0.45 9.99 ? 68 VAL B CG2 1 ATOM 2249 N N . GLY B 1 69 ? 5.458 6.568 29.215 1.00 9.38 ? 69 GLY B N 1 ATOM 2250 C CA . GLY B 1 69 ? 5.728 6.033 30.517 1.00 9.61 ? 69 GLY B CA 1 ATOM 2251 C C . GLY B 1 69 ? 4.887 6.565 31.648 1.00 8.99 ? 69 GLY B C 1 ATOM 2252 O O . GLY B 1 69 ? 5.173 6.205 32.789 1.00 10.95 ? 69 GLY B O 1 ATOM 2253 N N . GLU B 1 70 ? 3.877 7.380 31.377 1.00 8.12 ? 70 GLU B N 1 ATOM 2254 C CA . GLU B 1 70 ? 3.070 8.007 32.438 1.00 8.84 ? 70 GLU B CA 1 ATOM 2255 C C . GLU B 1 70 ? 1.603 7.942 32.121 1.00 7.91 ? 70 GLU B C 1 ATOM 2256 O O . GLU B 1 70 ? 1.123 8.479 31.115 1.00 9.47 ? 70 GLU B O 1 ATOM 2257 C CB . GLU B 1 70 ? 3.480 9.473 32.635 1.00 11.29 ? 70 GLU B CB 1 ATOM 2258 C CG . GLU B 1 70 ? 4.954 9.641 32.911 1.00 15.36 ? 70 GLU B CG 1 ATOM 2259 C CD . GLU B 1 70 ? 5.334 11.044 33.360 1.00 19.51 ? 70 GLU B CD 1 ATOM 2260 O OE1 . GLU B 1 70 ? 4.455 11.928 33.393 1.00 19.52 ? 70 GLU B OE1 1 ATOM 2261 O OE2 . GLU B 1 70 ? 6.519 11.246 33.707 1.00 22.71 ? 70 GLU B OE2 1 ATOM 2262 N N . TYR B 1 71 ? 0.870 7.301 33.023 1.00 6.01 ? 71 TYR B N 1 ATOM 2263 C CA . TYR B 1 71 ? -0.567 7.101 32.889 1.00 5.80 ? 71 TYR B CA 1 ATOM 2264 C C . TYR B 1 71 ? -1.288 7.844 33.985 1.00 5.21 ? 71 TYR B C 1 ATOM 2265 O O . TYR B 1 71 ? -0.922 7.734 35.159 1.00 7.13 ? 71 TYR B O 1 ATOM 2266 C CB . TYR B 1 71 ? -0.886 5.597 32.976 1.00 7.10 ? 71 TYR B CB 1 ATOM 2267 C CG . TYR B 1 71 ? -0.379 4.856 31.787 1.00 8.32 ? 71 TYR B CG 1 ATOM 2268 C CD1 . TYR B 1 71 ? 0.908 4.340 31.766 1.00 8.66 ? 71 TYR B CD1 1 ATOM 2269 C CD2 . TYR B 1 71 ? -1.170 4.700 30.667 1.00 9.16 ? 71 TYR B CD2 1 ATOM 2270 C CE1 . TYR B 1 71 ? 1.387 3.686 30.671 1.00 8.58 ? 71 TYR B CE1 1 ATOM 2271 C CE2 . TYR B 1 71 ? -0.701 4.041 29.567 1.00 9.12 ? 71 TYR B CE2 1 ATOM 2272 C CZ . TYR B 1 71 ? 0.580 3.533 29.576 1.00 9.57 ? 71 TYR B CZ 1 ATOM 2273 O OH . TYR B 1 71 ? 1.040 2.873 28.458 1.00 12.05 ? 71 TYR B OH 1 ATOM 2274 N N . SER B 1 72 ? -2.308 8.595 33.611 1.00 5.51 ? 72 SER B N 1 ATOM 2275 C CA . SER B 1 72 ? -3.097 9.366 34.569 1.00 5.87 ? 72 SER B CA 1 ATOM 2276 C C . SER B 1 72 ? -4.550 8.909 34.596 1.00 4.95 ? 72 SER B C 1 ATOM 2277 O O . SER B 1 72 ? -5.145 8.579 33.571 1.00 5.48 ? 72 SER B O 1 ATOM 2278 C CB . SER B 1 72 ? -3.063 10.853 34.240 1.00 7.74 ? 72 SER B CB 1 ATOM 2279 O OG . SER B 1 72 ? -1.771 11.383 34.372 1.00 9.89 ? 72 SER B OG 1 ATOM 2280 N N . LEU B 1 73 ? -5.110 8.926 35.802 1.00 4.75 ? 73 LEU B N 1 ATOM 2281 C CA . LEU B 1 73 ? -6.529 8.723 36.014 1.00 4.89 ? 73 LEU B CA 1 ATOM 2282 C C . LEU B 1 73 ? -7.109 9.954 36.681 1.00 4.17 ? 73 LEU B C 1 ATOM 2283 O O . LEU B 1 73 ? -6.583 10.419 37.680 1.00 5.42 ? 73 LEU B O 1 ATOM 2284 C CB . LEU B 1 73 ? -6.818 7.497 36.883 1.00 5.22 ? 73 LEU B CB 1 ATOM 2285 C CG . LEU B 1 73 ? -8.283 7.261 37.246 1.00 6.54 ? 73 LEU B CG 1 ATOM 2286 C CD1 . LEU B 1 73 ? -9.109 6.849 36.036 1.00 7.11 ? 73 LEU B CD1 1 ATOM 2287 C CD2 . LEU B 1 73 ? -8.403 6.225 38.379 1.00 7.20 ? 73 LEU B CD2 1 ATOM 2288 N N . TYR B 1 74 ? -8.177 10.490 36.116 1.00 5.03 ? 74 TYR B N 1 ATOM 2289 C CA . TYR B 1 74 ? -8.980 11.510 36.774 1.00 4.77 ? 74 TYR B CA 1 ATOM 2290 C C . TYR B 1 74 ? -10.273 10.903 37.264 1.00 4.97 ? 74 TYR B C 1 ATOM 2291 O O . TYR B 1 74 ? -10.939 10.189 36.524 1.00 5.98 ? 74 TYR B O 1 ATOM 2292 C CB . TYR B 1 74 ? -9.340 12.660 35.807 1.00 6.94 ? 74 TYR B CB 1 ATOM 2293 C CG . TYR B 1 74 ? -8.164 13.451 35.303 1.00 8.02 ? 74 TYR B CG 1 ATOM 2294 C CD1 . TYR B 1 74 ? -7.250 12.893 34.401 1.00 9.52 ? 74 TYR B CD1 1 ATOM 2295 C CD2 . TYR B 1 74 ? -7.941 14.747 35.737 1.00 11.20 ? 74 TYR B CD2 1 ATOM 2296 C CE1 . TYR B 1 74 ? -6.170 13.614 33.947 1.00 12.17 ? 74 TYR B CE1 1 ATOM 2297 C CE2 . TYR B 1 74 ? -6.863 15.483 35.260 1.00 14.23 ? 74 TYR B CE2 1 ATOM 2298 C CZ . TYR B 1 74 ? -5.977 14.904 34.383 1.00 14.90 ? 74 TYR B CZ 1 ATOM 2299 O OH . TYR B 1 74 ? -4.884 15.624 33.920 1.00 18.36 ? 74 TYR B OH 1 ATOM 2300 N N . ILE B 1 75 ? -10.614 11.213 38.517 1.00 5.14 ? 75 ILE B N 1 ATOM 2301 C CA . ILE B 1 75 ? -11.911 10.915 39.096 1.00 5.61 ? 75 ILE B CA 1 ATOM 2302 C C . ILE B 1 75 ? -12.471 12.225 39.606 1.00 5.71 ? 75 ILE B C 1 ATOM 2303 O O . ILE B 1 75 ? -11.875 12.871 40.457 1.00 6.09 ? 75 ILE B O 1 ATOM 2304 C CB . ILE B 1 75 ? -11.802 9.917 40.278 1.00 6.03 ? 75 ILE B CB 1 ATOM 2305 C CG1 . ILE B 1 75 ? -11.184 8.586 39.837 1.00 6.84 ? 75 ILE B CG1 1 ATOM 2306 C CG2 . ILE B 1 75 ? -13.152 9.689 40.932 1.00 7.10 ? 75 ILE B CG2 1 ATOM 2307 C CD1 . ILE B 1 75 ? -12.036 7.739 38.933 1.00 7.42 ? 75 ILE B CD1 1 ATOM 2308 N N . GLY B 1 76 ? -13.610 12.645 39.081 1.00 5.82 ? 76 GLY B N 1 ATOM 2309 C CA . GLY B 1 76 ? -14.200 13.896 39.521 1.00 6.50 ? 76 GLY B CA 1 ATOM 2310 C C . GLY B 1 76 ? -13.237 15.068 39.514 1.00 7.41 ? 76 GLY B C 1 ATOM 2311 O O . GLY B 1 76 ? -13.156 15.826 40.483 1.00 7.93 ? 76 GLY B O 1 ATOM 2312 N N . ARG B 1 77 ? -12.511 15.216 38.409 1.00 7.56 ? 77 ARG B N 1 ATOM 2313 C CA . ARG B 1 77 ? -11.575 16.314 38.200 1.00 8.01 ? 77 ARG B CA 1 ATOM 2314 C C . ARG B 1 77 ? -10.256 16.203 38.985 1.00 9.72 ? 77 ARG B C 1 ATOM 2315 O O . ARG B 1 77 ? -9.295 16.902 38.654 1.00 13.58 ? 77 ARG B O 1 ATOM 2316 C CB . ARG B 1 77 ? -12.266 17.672 38.401 1.00 8.70 ? 77 ARG B CB 1 ATOM 2317 C CG . ARG B 1 77 ? -13.280 17.944 37.309 1.00 9.16 ? 77 ARG B CG 1 ATOM 2318 C CD . ARG B 1 77 ? -14.519 18.708 37.775 1.00 9.19 ? 77 ARG B CD 1 ATOM 2319 N NE . ARG B 1 77 ? -15.233 18.002 38.838 1.00 8.84 ? 77 ARG B NE 1 ATOM 2320 C CZ . ARG B 1 77 ? -15.992 16.917 38.671 1.00 9.33 ? 77 ARG B CZ 1 ATOM 2321 N NH1 . ARG B 1 77 ? -16.119 16.355 37.481 1.00 8.87 ? 77 ARG B NH1 1 ATOM 2322 N NH2 . ARG B 1 77 ? -16.611 16.361 39.710 1.00 9.84 ? 77 ARG B NH2 1 ATOM 2323 N N . HIS B 1 78 ? -10.164 15.303 39.954 1.00 7.00 ? 78 HIS B N 1 ATOM 2324 C CA . HIS B 1 78 ? -8.903 15.100 40.676 1.00 6.56 ? 78 HIS B CA 1 ATOM 2325 C C . HIS B 1 78 ? -8.070 14.107 39.903 1.00 6.47 ? 78 HIS B C 1 ATOM 2326 O O . HIS B 1 78 ? -8.630 13.235 39.266 1.00 7.91 ? 78 HIS B O 1 ATOM 2327 C CB . HIS B 1 78 ? -9.177 14.563 42.078 1.00 7.36 ? 78 HIS B CB 1 ATOM 2328 C CG . HIS B 1 78 ? -9.920 15.516 42.953 1.00 9.17 ? 78 HIS B CG 1 ATOM 2329 N ND1 . HIS B 1 78 ? -9.979 15.353 44.314 1.00 11.00 ? 78 HIS B ND1 1 ATOM 2330 C CD2 . HIS B 1 78 ? -10.634 16.630 42.673 1.00 10.24 ? 78 HIS B CD2 1 ATOM 2331 C CE1 . HIS B 1 78 ? -10.686 16.334 44.842 1.00 10.81 ? 78 HIS B CE1 1 ATOM 2332 N NE2 . HIS B 1 78 ? -11.101 17.121 43.867 1.00 11.43 ? 78 HIS B NE2 1 ATOM 2333 N N . LYS B 1 79 ? -6.752 14.186 39.996 1.00 7.84 ? 79 LYS B N 1 ATOM 2334 C CA . LYS B 1 79 ? -5.937 13.269 39.216 1.00 9.56 ? 79 LYS B CA 1 ATOM 2335 C C . LYS B 1 79 ? -4.842 12.582 39.996 1.00 7.66 ? 79 LYS B C 1 ATOM 2336 O O . LYS B 1 79 ? -4.315 13.117 40.992 1.00 9.09 ? 79 LYS B O 1 ATOM 2337 C CB . LYS B 1 79 ? -5.375 13.960 37.997 1.00 16.35 ? 79 LYS B CB 1 ATOM 2338 C CG . LYS B 1 79 ? -4.188 14.778 38.229 1.00 21.23 ? 79 LYS B CG 1 ATOM 2339 C CD . LYS B 1 79 ? -3.648 15.278 36.883 1.00 25.63 ? 79 LYS B CD 1 ATOM 2340 C CE . LYS B 1 79 ? -2.236 15.761 36.997 1.00 29.10 ? 79 LYS B CE 1 ATOM 2341 N NZ . LYS B 1 79 ? -1.292 14.757 36.481 1.00 31.26 ? 79 LYS B NZ 1 ATOM 2342 N N . VAL B 1 80 ? -4.513 11.373 39.541 1.00 6.11 ? 80 VAL B N 1 ATOM 2343 C CA . VAL B 1 80 ? -3.325 10.662 39.972 1.00 6.08 ? 80 VAL B CA 1 ATOM 2344 C C . VAL B 1 80 ? -2.562 10.228 38.742 1.00 6.04 ? 80 VAL B C 1 ATOM 2345 O O . VAL B 1 80 ? -3.158 10.063 37.681 1.00 6.58 ? 80 VAL B O 1 ATOM 2346 C CB . VAL B 1 80 ? -3.638 9.457 40.862 1.00 6.72 ? 80 VAL B CB 1 ATOM 2347 C CG1 . VAL B 1 80 ? -4.203 9.908 42.212 1.00 7.94 ? 80 VAL B CG1 1 ATOM 2348 C CG2 . VAL B 1 80 ? -4.569 8.481 40.178 1.00 6.32 ? 80 VAL B CG2 1 ATOM 2349 N N . THR B 1 81 ? -1.252 10.063 38.875 1.00 6.80 ? 81 THR B N 1 ATOM 2350 C CA . THR B 1 81 ? -0.399 9.634 37.770 1.00 7.49 ? 81 THR B CA 1 ATOM 2351 C C . THR B 1 81 ? 0.578 8.591 38.285 1.00 7.24 ? 81 THR B C 1 ATOM 2352 O O . THR B 1 81 ? 1.158 8.769 39.369 1.00 7.99 ? 81 THR B O 1 ATOM 2353 C CB . THR B 1 81 ? 0.412 10.813 37.212 1.00 8.25 ? 81 THR B CB 1 ATOM 2354 O OG1 . THR B 1 81 ? -0.485 11.840 36.778 1.00 10.04 ? 81 THR B OG1 1 ATOM 2355 C CG2 . THR B 1 81 ? 1.296 10.386 36.041 1.00 9.00 ? 81 THR B CG2 1 ATOM 2356 N N . SER B 1 82 ? 0.774 7.518 37.521 1.00 7.09 ? 82 SER B N 1 ATOM 2357 C CA . SER B 1 82 ? 1.800 6.533 37.849 1.00 7.32 ? 82 SER B CA 1 ATOM 2358 C C . SER B 1 82 ? 2.663 6.225 36.636 1.00 7.15 ? 82 SER B C 1 ATOM 2359 O O . SER B 1 82 ? 2.224 6.363 35.494 1.00 8.15 ? 82 SER B O 1 ATOM 2360 C CB . SER B 1 82 ? 1.207 5.273 38.472 1.00 10.59 ? 82 SER B CB 1 ATOM 2361 O OG . SER B 1 82 ? 0.875 5.535 39.847 1.00 12.20 ? 82 SER B OG 1 ATOM 2362 N N . LYS B 1 83 ? 3.889 5.813 36.910 1.00 7.42 ? 83 LYS B N 1 ATOM 2363 C CA . LYS B 1 83 ? 4.929 5.661 35.903 1.00 7.23 ? 83 LYS B CA 1 ATOM 2364 C C . LYS B 1 83 ? 5.259 4.201 35.648 1.00 7.10 ? 83 LYS B C 1 ATOM 2365 O O . LYS B 1 83 ? 5.131 3.344 36.524 1.00 7.58 ? 83 LYS B O 1 ATOM 2366 C CB . LYS B 1 83 ? 6.203 6.382 36.360 1.00 9.77 ? 83 LYS B CB 1 ATOM 2367 C CG . LYS B 1 83 ? 6.035 7.865 36.532 1.00 13.94 ? 83 LYS B CG 1 ATOM 2368 C CD . LYS B 1 83 ? 7.340 8.535 36.896 1.00 18.50 ? 83 LYS B CD 1 ATOM 2369 C CE . LYS B 1 83 ? 7.101 9.976 37.272 1.00 22.49 ? 83 LYS B CE 1 ATOM 2370 N NZ . LYS B 1 83 ? 8.155 10.853 36.722 1.00 24.81 ? 83 LYS B NZ 1 ATOM 2371 N N . VAL B 1 84 ? 5.754 3.913 34.447 1.00 7.05 ? 84 VAL B N 1 ATOM 2372 C CA . VAL B 1 84 ? 6.149 2.571 34.085 1.00 8.13 ? 84 VAL B CA 1 ATOM 2373 C C . VAL B 1 84 ? 7.246 2.624 33.037 1.00 7.74 ? 84 VAL B C 1 ATOM 2374 O O . VAL B 1 84 ? 7.329 3.568 32.257 1.00 8.67 ? 84 VAL B O 1 ATOM 2375 C CB . VAL B 1 84 ? 4.938 1.776 33.529 1.00 10.12 ? 84 VAL B CB 1 ATOM 2376 C CG1 . VAL B 1 84 ? 4.460 2.368 32.204 1.00 12.00 ? 84 VAL B CG1 1 ATOM 2377 C CG2 . VAL B 1 84 ? 5.264 0.286 33.413 1.00 11.75 ? 84 VAL B CG2 1 ATOM 2378 N N . ILE B 1 85 ? 8.090 1.599 33.038 1.00 8.13 ? 85 ILE B N 1 ATOM 2379 C CA . ILE B 1 85 ? 9.050 1.383 31.972 1.00 9.16 ? 85 ILE B CA 1 ATOM 2380 C C . ILE B 1 85 ? 8.332 0.737 30.800 1.00 11.00 ? 85 ILE B C 1 ATOM 2381 O O . ILE B 1 85 ? 7.790 -0.356 30.924 1.00 12.54 ? 85 ILE B O 1 ATOM 2382 C CB . ILE B 1 85 ? 10.172 0.452 32.444 1.00 11.00 ? 85 ILE B CB 1 ATOM 2383 C CG1 . ILE B 1 85 ? 10.911 1.104 33.610 1.00 12.79 ? 85 ILE B CG1 1 ATOM 2384 C CG2 . ILE B 1 85 ? 11.117 0.149 31.279 1.00 12.47 ? 85 ILE B CG2 1 ATOM 2385 C CD1 . ILE B 1 85 ? 11.880 0.155 34.346 1.00 14.01 ? 85 ILE B CD1 1 ATOM 2386 N N . GLU B 1 86 ? 8.346 1.422 29.659 1.00 12.50 ? 86 GLU B N 1 ATOM 2387 C CA . GLU B 1 86 ? 7.742 0.890 28.439 1.00 13.45 ? 86 GLU B CA 1 ATOM 2388 C C . GLU B 1 86 ? 8.585 1.288 27.231 1.00 14.00 ? 86 GLU B C 1 ATOM 2389 O O . GLU B 1 86 ? 9.262 2.321 27.233 1.00 15.24 ? 86 GLU B O 1 ATOM 2390 C CB . GLU B 1 86 ? 6.281 1.352 28.267 1.00 15.74 ? 86 GLU B CB 1 ATOM 2391 C CG . GLU B 1 86 ? 6.072 2.847 28.175 1.00 17.74 ? 86 GLU B CG 1 ATOM 2392 C CD . GLU B 1 86 ? 4.583 3.234 28.085 1.00 17.39 ? 86 GLU B CD 1 ATOM 2393 O OE1 . GLU B 1 86 ? 3.701 2.377 28.457 1.00 17.53 ? 86 GLU B OE1 1 ATOM 2394 O OE2 . GLU B 1 86 ? 4.294 4.399 27.637 1.00 15.55 ? 86 GLU B OE2 1 ATOM 2395 N N . LYS B 1 87 ? 8.541 0.441 26.212 1.00 13.34 ? 87 LYS B N 1 ATOM 2396 C CA . LYS B 1 87 ? 9.157 0.739 24.927 1.00 14.59 ? 87 LYS B CA 1 ATOM 2397 C C . LYS B 1 87 ? 8.248 1.657 24.139 1.00 13.30 ? 87 LYS B C 1 ATOM 2398 O O . LYS B 1 87 ? 7.052 1.729 24.405 1.00 14.14 ? 87 LYS B O 1 ATOM 2399 C CB . LYS B 1 87 ? 9.379 -0.543 24.135 1.00 18.19 ? 87 LYS B CB 1 ATOM 2400 C CG . LYS B 1 87 ? 10.387 -1.451 24.789 1.00 21.79 ? 87 LYS B CG 1 ATOM 2401 C CD . LYS B 1 87 ? 10.575 -2.742 24.036 1.00 25.68 ? 87 LYS B CD 1 ATOM 2402 C CE . LYS B 1 87 ? 11.596 -3.611 24.752 1.00 28.72 ? 87 LYS B CE 1 ATOM 2403 N NZ . LYS B 1 87 ? 11.328 -5.066 24.576 1.00 30.99 ? 87 LYS B NZ 1 ATOM 2404 N N . PHE B 1 88 ? 8.816 2.386 23.189 1.00 12.16 ? 88 PHE B N 1 ATOM 2405 C CA . PHE B 1 88 ? 8.019 3.293 22.373 1.00 11.23 ? 88 PHE B CA 1 ATOM 2406 C C . PHE B 1 88 ? 8.469 3.288 20.934 1.00 10.07 ? 88 PHE B C 1 ATOM 2407 O O . PHE B 1 88 ? 9.641 3.452 20.688 1.00 10.95 ? 88 PHE B O 1 ATOM 2408 C CB . PHE B 1 88 ? 8.125 4.733 22.880 1.00 11.88 ? 88 PHE B CB 1 ATOM 2409 C CG . PHE B 1 88 ? 7.474 5.710 21.952 1.00 12.52 ? 88 PHE B CG 1 ATOM 2410 C CD1 . PHE B 1 88 ? 6.102 5.828 21.926 1.00 13.11 ? 88 PHE B CD1 1 ATOM 2411 C CD2 . PHE B 1 88 ? 8.231 6.443 21.045 1.00 13.10 ? 88 PHE B CD2 1 ATOM 2412 C CE1 . PHE B 1 88 ? 5.492 6.686 21.044 1.00 13.20 ? 88 PHE B CE1 1 ATOM 2413 C CE2 . PHE B 1 88 ? 7.621 7.294 20.162 1.00 13.64 ? 88 PHE B CE2 1 ATOM 2414 C CZ . PHE B 1 88 ? 6.250 7.431 20.171 1.00 13.60 ? 88 PHE B CZ 1 ATOM 2415 N N . PRO B 1 89 ? 7.545 3.128 19.960 1.00 8.19 ? 89 PRO B N 1 ATOM 2416 C CA . PRO B 1 89 ? 6.147 2.742 20.121 1.00 8.20 ? 89 PRO B CA 1 ATOM 2417 C C . PRO B 1 89 ? 5.994 1.269 20.467 1.00 9.05 ? 89 PRO B C 1 ATOM 2418 O O . PRO B 1 89 ? 6.824 0.447 20.106 1.00 10.53 ? 89 PRO B O 1 ATOM 2419 C CB . PRO B 1 89 ? 5.535 3.004 18.728 1.00 9.20 ? 89 PRO B CB 1 ATOM 2420 C CG . PRO B 1 89 ? 6.584 3.691 17.943 1.00 11.58 ? 89 PRO B CG 1 ATOM 2421 C CD . PRO B 1 89 ? 7.884 3.385 18.547 1.00 9.26 ? 89 PRO B CD 1 ATOM 2422 N N . ALA B 1 90 ? 4.896 0.936 21.128 1.00 8.97 ? 90 ALA B N 1 ATOM 2423 C CA . ALA B 1 90 ? 4.579 -0.447 21.410 1.00 9.35 ? 90 ALA B CA 1 ATOM 2424 C C . ALA B 1 90 ? 3.104 -0.594 21.756 1.00 7.67 ? 90 ALA B C 1 ATOM 2425 O O . ALA B 1 90 ? 2.525 0.240 22.442 1.00 8.14 ? 90 ALA B O 1 ATOM 2426 C CB . ALA B 1 90 ? 5.419 -0.968 22.568 1.00 11.13 ? 90 ALA B CB 1 ATOM 2427 N N . PRO B 1 91 ? 2.509 -1.698 21.330 1.00 8.28 ? 91 PRO B N 1 ATOM 2428 C CA . PRO B 1 91 ? 1.180 -2.039 21.824 1.00 8.15 ? 91 PRO B CA 1 ATOM 2429 C C . PRO B 1 91 ? 1.190 -2.161 23.331 1.00 7.11 ? 91 PRO B C 1 ATOM 2430 O O . PRO B 1 91 ? 2.203 -2.538 23.933 1.00 8.75 ? 91 PRO B O 1 ATOM 2431 C CB . PRO B 1 91 ? 0.922 -3.410 21.197 1.00 9.50 ? 91 PRO B CB 1 ATOM 2432 C CG . PRO B 1 91 ? 1.813 -3.464 19.997 1.00 9.46 ? 91 PRO B CG 1 ATOM 2433 C CD . PRO B 1 91 ? 3.031 -2.711 20.393 1.00 9.43 ? 91 PRO B CD 1 ATOM 2434 N N . VAL B 1 92 ? 0.057 -1.848 23.940 1.00 6.07 ? 92 VAL B N 1 ATOM 2435 C CA . VAL B 1 92 ? -0.069 -1.944 25.380 1.00 6.61 ? 92 VAL B CA 1 ATOM 2436 C C . VAL B 1 92 ? -1.430 -2.466 25.774 1.00 5.76 ? 92 VAL B C 1 ATOM 2437 O O . VAL B 1 92 ? -2.407 -2.238 25.087 1.00 7.01 ? 92 VAL B O 1 ATOM 2438 C CB . VAL B 1 92 ? 0.193 -0.558 26.043 1.00 8.22 ? 92 VAL B CB 1 ATOM 2439 C CG1 . VAL B 1 92 ? -0.927 0.444 25.718 1.00 9.07 ? 92 VAL B CG1 1 ATOM 2440 C CG2 . VAL B 1 92 ? 0.404 -0.702 27.535 1.00 10.03 ? 92 VAL B CG2 1 ATOM 2441 N N . HIS B 1 93 ? -1.468 -3.207 26.870 1.00 5.43 ? 93 HIS B N 1 ATOM 2442 C CA . HIS B 1 93 ? -2.714 -3.552 27.541 1.00 5.65 ? 93 HIS B CA 1 ATOM 2443 C C . HIS B 1 93 ? -2.773 -2.774 28.832 1.00 4.61 ? 93 HIS B C 1 ATOM 2444 O O . HIS B 1 93 ? -1.835 -2.799 29.614 1.00 5.98 ? 93 HIS B O 1 ATOM 2445 C CB . HIS B 1 93 ? -2.763 -5.047 27.830 1.00 6.58 ? 93 HIS B CB 1 ATOM 2446 C CG . HIS B 1 93 ? -4.060 -5.469 28.431 1.00 7.41 ? 93 HIS B CG 1 ATOM 2447 N ND1 . HIS B 1 93 ? -4.232 -5.647 29.780 1.00 7.91 ? 93 HIS B ND1 1 ATOM 2448 C CD2 . HIS B 1 93 ? -5.264 -5.696 27.857 1.00 7.90 ? 93 HIS B CD2 1 ATOM 2449 C CE1 . HIS B 1 93 ? -5.489 -5.989 30.014 1.00 7.75 ? 93 HIS B CE1 1 ATOM 2450 N NE2 . HIS B 1 93 ? -6.139 -6.012 28.859 1.00 7.70 ? 93 HIS B NE2 1 ATOM 2451 N N . ILE B 1 94 ? -3.855 -2.028 29.007 1.00 5.32 ? 94 ILE B N 1 ATOM 2452 C CA . ILE B 1 94 ? -4.041 -1.162 30.162 1.00 6.57 ? 94 ILE B CA 1 ATOM 2453 C C . ILE B 1 94 ? -5.264 -1.599 30.941 1.00 7.26 ? 94 ILE B C 1 ATOM 2454 O O . ILE B 1 94 ? -6.330 -1.780 30.376 1.00 8.33 ? 94 ILE B O 1 ATOM 2455 C CB . ILE B 1 94 ? -4.245 0.299 29.721 1.00 7.75 ? 94 ILE B CB 1 ATOM 2456 C CG1 . ILE B 1 94 ? -3.021 0.788 28.944 1.00 10.02 ? 94 ILE B CG1 1 ATOM 2457 C CG2 . ILE B 1 94 ? -4.551 1.219 30.922 1.00 9.84 ? 94 ILE B CG2 1 ATOM 2458 C CD1 . ILE B 1 94 ? -3.304 1.969 28.023 1.00 11.42 ? 94 ILE B CD1 1 ATOM 2459 N N A CYS B 1 95 ? -5.086 -1.855 32.236 0.53 6.41 ? 95 CYS B N 1 ATOM 2460 N N B CYS B 1 95 ? -5.091 -1.713 32.248 0.47 7.84 ? 95 CYS B N 1 ATOM 2461 C CA A CYS B 1 95 ? -6.219 -1.950 33.150 0.53 6.85 ? 95 CYS B CA 1 ATOM 2462 C CA B CYS B 1 95 ? -6.198 -1.963 33.138 0.47 8.99 ? 95 CYS B CA 1 ATOM 2463 C C A CYS B 1 95 ? -6.069 -0.842 34.185 0.53 6.16 ? 95 CYS B C 1 ATOM 2464 C C B CYS B 1 95 ? -6.096 -0.977 34.293 0.47 7.63 ? 95 CYS B C 1 ATOM 2465 O O A CYS B 1 95 ? -4.963 -0.475 34.591 0.53 5.85 ? 95 CYS B O 1 ATOM 2466 O O B CYS B 1 95 ? -5.027 -0.823 34.888 0.47 7.92 ? 95 CYS B O 1 ATOM 2467 C CB A CYS B 1 95 ? -6.303 -3.309 33.856 0.53 8.44 ? 95 CYS B CB 1 ATOM 2468 C CB B CYS B 1 95 ? -6.122 -3.394 33.634 0.47 11.63 ? 95 CYS B CB 1 ATOM 2469 S SG A CYS B 1 95 ? -6.840 -4.722 32.844 0.53 10.96 ? 95 CYS B SG 1 ATOM 2470 S SG B CYS B 1 95 ? -7.464 -3.846 34.659 0.47 13.90 ? 95 CYS B SG 1 ATOM 2471 N N . VAL B 1 96 ? -7.198 -0.291 34.597 1.00 6.07 ? 96 VAL B N 1 ATOM 2472 C CA . VAL B 1 96 ? -7.229 0.622 35.730 1.00 6.36 ? 96 VAL B CA 1 ATOM 2473 C C . VAL B 1 96 ? -8.487 0.357 36.535 1.00 4.68 ? 96 VAL B C 1 ATOM 2474 O O . VAL B 1 96 ? -9.566 0.166 35.979 1.00 6.10 ? 96 VAL B O 1 ATOM 2475 C CB . VAL B 1 96 ? -7.116 2.087 35.299 1.00 8.01 ? 96 VAL B CB 1 ATOM 2476 C CG1 . VAL B 1 96 ? -8.251 2.512 34.375 1.00 10.26 ? 96 VAL B CG1 1 ATOM 2477 C CG2 . VAL B 1 96 ? -7.007 2.979 36.518 1.00 10.31 ? 96 VAL B CG2 1 ATOM 2478 N N . SER B 1 97 ? -8.316 0.300 37.849 1.00 5.43 ? 97 SER B N 1 ATOM 2479 C CA . SER B 1 97 ? -9.447 0.142 38.745 1.00 6.00 ? 97 SER B CA 1 ATOM 2480 C C . SER B 1 97 ? -9.425 1.256 39.768 1.00 5.68 ? 97 SER B C 1 ATOM 2481 O O . SER B 1 97 ? -8.374 1.862 40.061 1.00 6.52 ? 97 SER B O 1 ATOM 2482 C CB . SER B 1 97 ? -9.431 -1.207 39.443 1.00 7.43 ? 97 SER B CB 1 ATOM 2483 O OG . SER B 1 97 ? -8.385 -1.270 40.389 1.00 8.49 ? 97 SER B OG 1 ATOM 2484 N N . TRP B 1 98 ? -10.594 1.527 40.331 1.00 6.13 ? 98 TRP B N 1 ATOM 2485 C CA . TRP B 1 98 ? -10.717 2.504 41.402 1.00 6.13 ? 98 TRP B CA 1 ATOM 2486 C C . TRP B 1 98 ? -11.827 2.060 42.347 1.00 6.18 ? 98 TRP B C 1 ATOM 2487 O O . TRP B 1 98 ? -12.853 1.520 41.927 1.00 6.84 ? 98 TRP B O 1 ATOM 2488 C CB . TRP B 1 98 ? -11.001 3.896 40.832 1.00 6.91 ? 98 TRP B CB 1 ATOM 2489 C CG . TRP B 1 98 ? -11.216 4.947 41.855 1.00 7.43 ? 98 TRP B CG 1 ATOM 2490 C CD1 . TRP B 1 98 ? -10.262 5.612 42.576 1.00 7.53 ? 98 TRP B CD1 1 ATOM 2491 C CD2 . TRP B 1 98 ? -12.480 5.461 42.284 1.00 7.92 ? 98 TRP B CD2 1 ATOM 2492 N NE1 . TRP B 1 98 ? -10.863 6.518 43.427 1.00 8.60 ? 98 TRP B NE1 1 ATOM 2493 C CE2 . TRP B 1 98 ? -12.223 6.438 43.269 1.00 8.55 ? 98 TRP B CE2 1 ATOM 2494 C CE3 . TRP B 1 98 ? -13.805 5.180 41.941 1.00 8.49 ? 98 TRP B CE3 1 ATOM 2495 C CZ2 . TRP B 1 98 ? -13.244 7.159 43.881 1.00 8.98 ? 98 TRP B CZ2 1 ATOM 2496 C CZ3 . TRP B 1 98 ? -14.812 5.898 42.561 1.00 8.97 ? 98 TRP B CZ3 1 ATOM 2497 C CH2 . TRP B 1 98 ? -14.523 6.865 43.512 1.00 8.47 ? 98 TRP B CH2 1 ATOM 2498 N N . GLU B 1 99 ? -11.575 2.287 43.626 1.00 7.14 ? 99 GLU B N 1 ATOM 2499 C CA . GLU B 1 99 ? -12.436 1.868 44.727 1.00 9.47 ? 99 GLU B CA 1 ATOM 2500 C C . GLU B 1 99 ? -12.724 3.092 45.584 1.00 9.52 ? 99 GLU B C 1 ATOM 2501 O O . GLU B 1 99 ? -11.826 3.616 46.239 1.00 9.58 ? 99 GLU B O 1 ATOM 2502 C CB . GLU B 1 99 ? -11.677 0.821 45.548 1.00 11.53 ? 99 GLU B CB 1 ATOM 2503 C CG . GLU B 1 99 ? -12.456 0.198 46.683 1.00 14.82 ? 99 GLU B CG 1 ATOM 2504 C CD . GLU B 1 99 ? -11.603 -0.762 47.491 1.00 17.72 ? 99 GLU B CD 1 ATOM 2505 O OE1 . GLU B 1 99 ? -10.528 -0.341 47.966 1.00 16.43 ? 99 GLU B OE1 1 ATOM 2506 O OE2 . GLU B 1 99 ? -12.007 -1.938 47.652 1.00 21.07 ? 99 GLU B OE2 1 ATOM 2507 N N . SER B 1 100 ? -13.973 3.532 45.623 1.00 8.47 ? 100 SER B N 1 ATOM 2508 C CA . SER B 1 100 ? -14.333 4.709 46.422 1.00 9.07 ? 100 SER B CA 1 ATOM 2509 C C . SER B 1 100 ? -14.021 4.548 47.916 1.00 7.74 ? 100 SER B C 1 ATOM 2510 O O . SER B 1 100 ? -13.548 5.472 48.551 1.00 8.00 ? 100 SER B O 1 ATOM 2511 C CB . SER B 1 100 ? -15.817 4.986 46.305 1.00 9.94 ? 100 SER B CB 1 ATOM 2512 O OG . SER B 1 100 ? -16.194 6.107 47.094 1.00 10.38 ? 100 SER B OG 1 ATOM 2513 N N . SER B 1 101 ? -14.267 3.364 48.476 1.00 8.29 ? 101 SER B N 1 ATOM 2514 C CA . SER B 1 101 ? -14.120 3.202 49.924 1.00 9.97 ? 101 SER B CA 1 ATOM 2515 C C . SER B 1 101 ? -12.717 3.560 50.406 1.00 9.45 ? 101 SER B C 1 ATOM 2516 O O . SER B 1 101 ? -12.556 4.164 51.468 1.00 11.01 ? 101 SER B O 1 ATOM 2517 C CB . SER B 1 101 ? -14.507 1.795 50.349 1.00 12.94 ? 101 SER B CB 1 ATOM 2518 O OG . SER B 1 101 ? -13.687 0.831 49.736 1.00 15.05 ? 101 SER B OG 1 ATOM 2519 N N . SER B 1 102 ? -11.701 3.221 49.611 1.00 9.00 ? 102 SER B N 1 ATOM 2520 C CA . SER B 1 102 ? -10.316 3.518 49.946 1.00 8.94 ? 102 SER B CA 1 ATOM 2521 C C . SER B 1 102 ? -9.725 4.659 49.130 1.00 8.61 ? 102 SER B C 1 ATOM 2522 O O . SER B 1 102 ? -8.697 5.241 49.517 1.00 8.79 ? 102 SER B O 1 ATOM 2523 C CB . SER B 1 102 ? -9.455 2.283 49.682 1.00 9.28 ? 102 SER B CB 1 ATOM 2524 O OG . SER B 1 102 ? -9.476 2.009 48.292 1.00 9.65 ? 102 SER B OG 1 ATOM 2525 N N . GLY B 1 103 ? -10.368 4.967 48.010 1.00 7.67 ? 103 GLY B N 1 ATOM 2526 C CA . GLY B 1 103 ? -9.832 5.893 47.032 1.00 6.84 ? 103 GLY B CA 1 ATOM 2527 C C . GLY B 1 103 ? -8.711 5.354 46.181 1.00 6.53 ? 103 GLY B C 1 ATOM 2528 O O . GLY B 1 103 ? -8.168 6.093 45.352 1.00 6.78 ? 103 GLY B O 1 ATOM 2529 N N . ILE B 1 104 ? -8.375 4.079 46.340 1.00 6.65 ? 104 ILE B N 1 ATOM 2530 C CA . ILE B 1 104 ? -7.213 3.542 45.641 1.00 6.22 ? 104 ILE B CA 1 ATOM 2531 C C . ILE B 1 104 ? -7.487 3.290 44.175 1.00 6.51 ? 104 ILE B C 1 ATOM 2532 O O . ILE B 1 104 ? -8.451 2.614 43.811 1.00 7.26 ? 104 ILE B O 1 ATOM 2533 C CB . ILE B 1 104 ? -6.730 2.247 46.300 1.00 8.07 ? 104 ILE B CB 1 ATOM 2534 C CG1 . ILE B 1 104 ? -6.250 2.541 47.716 1.00 10.45 ? 104 ILE B CG1 1 ATOM 2535 C CG2 . ILE B 1 104 ? -5.648 1.589 45.469 1.00 9.48 ? 104 ILE B CG2 1 ATOM 2536 C CD1 . ILE B 1 104 ? -5.102 3.517 47.817 1.00 11.95 ? 104 ILE B CD1 1 ATOM 2537 N N . ALA B 1 105 ? -6.557 3.788 43.365 1.00 6.49 ? 105 ALA B N 1 ATOM 2538 C CA . ALA B 1 105 ? -6.501 3.552 41.931 1.00 7.10 ? 105 ALA B CA 1 ATOM 2539 C C . ALA B 1 105 ? -5.319 2.638 41.615 1.00 6.76 ? 105 ALA B C 1 ATOM 2540 O O . ALA B 1 105 ? -4.219 2.863 42.074 1.00 7.80 ? 105 ALA B O 1 ATOM 2541 C CB . ALA B 1 105 ? -6.342 4.853 41.211 1.00 8.28 ? 105 ALA B CB 1 ATOM 2542 N N . GLU B 1 106 ? -5.589 1.590 40.856 1.00 6.30 ? 106 GLU B N 1 ATOM 2543 C CA . GLU B 1 106 ? -4.592 0.616 40.429 1.00 7.68 ? 106 GLU B CA 1 ATOM 2544 C C . GLU B 1 106 ? -4.487 0.583 38.930 1.00 7.73 ? 106 GLU B C 1 ATOM 2545 O O . GLU B 1 106 ? -5.413 0.160 38.279 1.00 10.11 ? 106 GLU B O 1 ATOM 2546 C CB . GLU B 1 106 ? -5.008 -0.817 40.796 1.00 10.85 ? 106 GLU B CB 1 ATOM 2547 C CG . GLU B 1 106 ? -5.112 -1.130 42.226 1.00 13.30 ? 106 GLU B CG 1 ATOM 2548 C CD . GLU B 1 106 ? -5.354 -2.622 42.496 1.00 16.22 ? 106 GLU B CD 1 ATOM 2549 O OE1 . GLU B 1 106 ? -5.213 -3.492 41.580 1.00 16.72 ? 106 GLU B OE1 1 ATOM 2550 O OE2 . GLU B 1 106 ? -5.681 -2.918 43.650 1.00 18.87 ? 106 GLU B OE2 1 ATOM 2551 N N . PHE B 1 107 ? -3.347 0.979 38.392 1.00 6.75 ? 107 PHE B N 1 ATOM 2552 C CA . PHE B 1 107 ? -3.012 0.737 36.994 1.00 5.78 ? 107 PHE B CA 1 ATOM 2553 C C . PHE B 1 107 ? -2.216 -0.553 36.847 1.00 5.26 ? 107 PHE B C 1 ATOM 2554 O O . PHE B 1 107 ? -1.343 -0.862 37.665 1.00 6.54 ? 107 PHE B O 1 ATOM 2555 C CB . PHE B 1 107 ? -2.143 1.855 36.410 1.00 6.76 ? 107 PHE B CB 1 ATOM 2556 C CG . PHE B 1 107 ? -2.919 3.047 35.851 1.00 6.96 ? 107 PHE B CG 1 ATOM 2557 C CD1 . PHE B 1 107 ? -3.537 2.970 34.614 1.00 8.07 ? 107 PHE B CD1 1 ATOM 2558 C CD2 . PHE B 1 107 ? -2.953 4.252 36.521 1.00 7.91 ? 107 PHE B CD2 1 ATOM 2559 C CE1 . PHE B 1 107 ? -4.209 4.069 34.079 1.00 8.49 ? 107 PHE B CE1 1 ATOM 2560 C CE2 . PHE B 1 107 ? -3.626 5.355 36.000 1.00 7.54 ? 107 PHE B CE2 1 ATOM 2561 C CZ . PHE B 1 107 ? -4.232 5.272 34.781 1.00 8.02 ? 107 PHE B CZ 1 ATOM 2562 N N . TRP B 1 108 ? -2.562 -1.324 35.827 1.00 6.12 ? 108 TRP B N 1 ATOM 2563 C CA . TRP B 1 108 ? -1.796 -2.492 35.411 1.00 5.89 ? 108 TRP B CA 1 ATOM 2564 C C . TRP B 1 108 ? -1.473 -2.329 33.940 1.00 6.13 ? 108 TRP B C 1 ATOM 2565 O O . TRP B 1 108 ? -2.364 -2.115 33.127 1.00 7.05 ? 108 TRP B O 1 ATOM 2566 C CB . TRP B 1 108 ? -2.619 -3.763 35.590 1.00 7.06 ? 108 TRP B CB 1 ATOM 2567 C CG . TRP B 1 108 ? -2.938 -4.093 37.002 1.00 8.97 ? 108 TRP B CG 1 ATOM 2568 C CD1 . TRP B 1 108 ? -3.790 -3.423 37.836 1.00 10.64 ? 108 TRP B CD1 1 ATOM 2569 C CD2 . TRP B 1 108 ? -2.416 -5.191 37.754 1.00 9.52 ? 108 TRP B CD2 1 ATOM 2570 N NE1 . TRP B 1 108 ? -3.828 -4.038 39.047 1.00 11.92 ? 108 TRP B NE1 1 ATOM 2571 C CE2 . TRP B 1 108 ? -2.989 -5.121 39.034 1.00 11.03 ? 108 TRP B CE2 1 ATOM 2572 C CE3 . TRP B 1 108 ? -1.508 -6.217 37.476 1.00 10.17 ? 108 TRP B CE3 1 ATOM 2573 C CZ2 . TRP B 1 108 ? -2.700 -6.047 40.036 1.00 12.77 ? 108 TRP B CZ2 1 ATOM 2574 C CZ3 . TRP B 1 108 ? -1.231 -7.146 38.474 1.00 12.17 ? 108 TRP B CZ3 1 ATOM 2575 C CH2 . TRP B 1 108 ? -1.818 -7.046 39.735 1.00 12.48 ? 108 TRP B CH2 1 ATOM 2576 N N . ILE B 1 109 ? -0.199 -2.445 33.608 1.00 6.35 ? 109 ILE B N 1 ATOM 2577 C CA . ILE B 1 109 ? 0.280 -2.266 32.250 1.00 5.93 ? 109 ILE B CA 1 ATOM 2578 C C . ILE B 1 109 ? 0.915 -3.567 31.802 1.00 6.90 ? 109 ILE B C 1 ATOM 2579 O O . ILE B 1 109 ? 1.856 -4.050 32.413 1.00 9.42 ? 109 ILE B O 1 ATOM 2580 C CB . ILE B 1 109 ? 1.303 -1.121 32.176 1.00 8.21 ? 109 ILE B CB 1 ATOM 2581 C CG1 . ILE B 1 109 ? 0.700 0.194 32.677 1.00 9.26 ? 109 ILE B CG1 1 ATOM 2582 C CG2 . ILE B 1 109 ? 1.867 -1.023 30.769 1.00 9.51 ? 109 ILE B CG2 1 ATOM 2583 C CD1 . ILE B 1 109 ? -0.505 0.702 31.912 1.00 10.22 ? 109 ILE B CD1 1 ATOM 2584 N N . ASN B 1 110 ? 0.365 -4.167 30.744 1.00 7.50 ? 110 ASN B N 1 ATOM 2585 C CA . ASN B 1 110 ? 0.824 -5.490 30.267 1.00 9.80 ? 110 ASN B CA 1 ATOM 2586 C C . ASN B 1 110 ? 0.922 -6.493 31.395 1.00 10.86 ? 110 ASN B C 1 ATOM 2587 O O . ASN B 1 110 ? 1.886 -7.267 31.491 1.00 12.47 ? 110 ASN B O 1 ATOM 2588 C CB . ASN B 1 110 ? 2.156 -5.376 29.548 1.00 11.07 ? 110 ASN B CB 1 ATOM 2589 C CG . ASN B 1 110 ? 2.083 -4.445 28.380 1.00 12.00 ? 110 ASN B CG 1 ATOM 2590 O OD1 . ASN B 1 110 ? 1.069 -4.387 27.670 1.00 10.94 ? 110 ASN B OD1 1 ATOM 2591 N ND2 . ASN B 1 110 ? 3.149 -3.691 28.171 1.00 13.74 ? 110 ASN B ND2 1 ATOM 2592 N N . GLY B 1 111 ? -0.084 -6.474 32.256 1.00 10.25 ? 111 GLY B N 1 ATOM 2593 C CA . GLY B 1 111 ? -0.167 -7.445 33.332 1.00 10.99 ? 111 GLY B CA 1 ATOM 2594 C C . GLY B 1 111 ? 0.700 -7.156 34.535 1.00 12.55 ? 111 GLY B C 1 ATOM 2595 O O . GLY B 1 111 ? 0.750 -7.969 35.459 1.00 14.73 ? 111 GLY B O 1 ATOM 2596 N N A THR B 1 112 ? 1.337 -5.988 34.538 0.65 12.05 ? 112 THR B N 1 ATOM 2597 N N B THR B 1 112 ? 1.405 -6.033 34.539 0.35 11.61 ? 112 THR B N 1 ATOM 2598 C CA A THR B 1 112 ? 2.261 -5.582 35.598 0.65 12.20 ? 112 THR B CA 1 ATOM 2599 C CA B THR B 1 112 ? 2.249 -5.711 35.683 0.35 10.77 ? 112 THR B CA 1 ATOM 2600 C C A THR B 1 112 ? 1.676 -4.429 36.405 0.65 9.56 ? 112 THR B C 1 ATOM 2601 C C B THR B 1 112 ? 1.693 -4.494 36.406 0.35 9.27 ? 112 THR B C 1 ATOM 2602 O O A THR B 1 112 ? 1.261 -3.418 35.845 0.65 9.20 ? 112 THR B O 1 ATOM 2603 O O B THR B 1 112 ? 1.300 -3.510 35.783 0.35 9.41 ? 112 THR B O 1 ATOM 2604 C CB A THR B 1 112 ? 3.596 -5.128 34.981 0.65 14.78 ? 112 THR B CB 1 ATOM 2605 C CB B THR B 1 112 ? 3.712 -5.467 35.274 0.35 11.49 ? 112 THR B CB 1 ATOM 2606 O OG1 A THR B 1 112 ? 4.263 -6.274 34.418 0.65 16.78 ? 112 THR B OG1 1 ATOM 2607 O OG1 B THR B 1 112 ? 4.559 -5.565 36.422 0.35 13.65 ? 112 THR B OG1 1 ATOM 2608 C CG2 A THR B 1 112 ? 4.486 -4.450 36.024 0.65 15.48 ? 112 THR B CG2 1 ATOM 2609 C CG2 B THR B 1 112 ? 3.881 -4.110 34.651 0.35 9.82 ? 112 THR B CG2 1 ATOM 2610 N N . PRO B 1 113 ? 1.642 -4.563 37.740 1.00 7.86 ? 113 PRO B N 1 ATOM 2611 C CA . PRO B 1 113 ? 1.031 -3.489 38.538 1.00 7.07 ? 113 PRO B CA 1 ATOM 2612 C C . PRO B 1 113 ? 1.941 -2.269 38.689 1.00 5.93 ? 113 PRO B C 1 ATOM 2613 O O . PRO B 1 113 ? 3.128 -2.428 38.965 1.00 7.35 ? 113 PRO B O 1 ATOM 2614 C CB . PRO B 1 113 ? 0.808 -4.160 39.893 1.00 7.56 ? 113 PRO B CB 1 ATOM 2615 C CG . PRO B 1 113 ? 1.899 -5.204 39.962 1.00 8.36 ? 113 PRO B CG 1 ATOM 2616 C CD . PRO B 1 113 ? 2.094 -5.694 38.563 1.00 7.81 ? 113 PRO B CD 1 ATOM 2617 N N . LEU B 1 114 ? 1.376 -1.083 38.484 1.00 4.92 ? 114 LEU B N 1 ATOM 2618 C CA . LEU B 1 114 ? 2.045 0.173 38.773 1.00 5.52 ? 114 LEU B CA 1 ATOM 2619 C C . LEU B 1 114 ? 1.894 0.480 40.269 1.00 5.49 ? 114 LEU B C 1 ATOM 2620 O O . LEU B 1 114 ? 1.129 -0.172 40.974 1.00 6.64 ? 114 LEU B O 1 ATOM 2621 C CB . LEU B 1 114 ? 1.487 1.308 37.910 1.00 5.85 ? 114 LEU B CB 1 ATOM 2622 C CG . LEU B 1 114 ? 1.576 1.127 36.399 1.00 8.19 ? 114 LEU B CG 1 ATOM 2623 C CD1 . LEU B 1 114 ? 1.431 2.483 35.697 1.00 8.19 ? 114 LEU B CD1 1 ATOM 2624 C CD2 . LEU B 1 114 ? 2.805 0.377 35.932 1.00 9.96 ? 114 LEU B CD2 1 ATOM 2625 N N . VAL B 1 115 ? 2.603 1.478 40.759 1.00 5.19 ? 115 VAL B N 1 ATOM 2626 C CA . VAL B 1 115 ? 2.416 1.907 42.131 1.00 5.87 ? 115 VAL B CA 1 ATOM 2627 C C . VAL B 1 115 ? 0.976 2.418 42.334 1.00 6.17 ? 115 VAL B C 1 ATOM 2628 O O . VAL B 1 115 ? 0.486 3.232 41.561 1.00 7.15 ? 115 VAL B O 1 ATOM 2629 C CB . VAL B 1 115 ? 3.414 3.035 42.494 1.00 6.33 ? 115 VAL B CB 1 ATOM 2630 C CG1 . VAL B 1 115 ? 3.227 3.479 43.938 1.00 7.06 ? 115 VAL B CG1 1 ATOM 2631 C CG2 . VAL B 1 115 ? 4.855 2.581 42.289 1.00 7.11 ? 115 VAL B CG2 1 ATOM 2632 N N . LYS B 1 116 ? 0.296 1.949 43.382 1.00 5.87 ? 116 LYS B N 1 ATOM 2633 C CA . LYS B 1 116 ? -1.047 2.445 43.719 1.00 7.26 ? 116 LYS B CA 1 ATOM 2634 C C . LYS B 1 116 ? -1.019 3.906 44.122 1.00 7.81 ? 116 LYS B C 1 ATOM 2635 O O . LYS B 1 116 ? -0.066 4.379 44.767 1.00 9.09 ? 116 LYS B O 1 ATOM 2636 C CB . LYS B 1 116 ? -1.640 1.625 44.867 1.00 9.06 ? 116 LYS B CB 1 ATOM 2637 C CG . LYS B 1 116 ? -2.087 0.210 44.509 1.00 10.50 ? 116 LYS B CG 1 ATOM 2638 C CD . LYS B 1 116 ? -2.324 -0.576 45.802 1.00 13.02 ? 116 LYS B CD 1 ATOM 2639 C CE . LYS B 1 116 ? -3.106 -1.861 45.611 1.00 15.77 ? 116 LYS B CE 1 ATOM 2640 N NZ . LYS B 1 116 ? -2.382 -2.892 44.841 1.00 15.97 ? 116 LYS B NZ 1 ATOM 2641 N N . LYS B 1 117 ? -2.069 4.638 43.747 1.00 7.48 ? 117 LYS B N 1 ATOM 2642 C CA . LYS B 1 117 ? -2.230 6.017 44.190 1.00 8.23 ? 117 LYS B CA 1 ATOM 2643 C C . LYS B 1 117 ? -3.653 6.141 44.706 1.00 7.90 ? 117 LYS B C 1 ATOM 2644 O O . LYS B 1 117 ? -4.453 5.218 44.549 1.00 10.16 ? 117 LYS B O 1 ATOM 2645 C CB . LYS B 1 117 ? -1.981 7.015 43.043 1.00 7.99 ? 117 LYS B CB 1 ATOM 2646 C CG . LYS B 1 117 ? -0.569 6.937 42.437 1.00 8.62 ? 117 LYS B CG 1 ATOM 2647 C CD . LYS B 1 117 ? 0.522 7.404 43.409 1.00 9.65 ? 117 LYS B CD 1 ATOM 2648 C CE . LYS B 1 117 ? 1.928 6.944 42.949 1.00 10.09 ? 117 LYS B CE 1 ATOM 2649 N NZ . LYS B 1 117 ? 2.339 7.554 41.672 1.00 10.58 ? 117 LYS B NZ 1 ATOM 2650 N N . GLY B 1 118 ? -3.983 7.270 45.302 1.00 7.06 ? 118 GLY B N 1 ATOM 2651 C CA . GLY B 1 118 ? -5.285 7.436 45.921 1.00 6.60 ? 118 GLY B CA 1 ATOM 2652 C C . GLY B 1 118 ? -5.896 8.791 45.660 1.00 7.22 ? 118 GLY B C 1 ATOM 2653 O O . GLY B 1 118 ? -5.203 9.806 45.716 1.00 9.79 ? 118 GLY B O 1 ATOM 2654 N N . LEU B 1 119 ? -7.204 8.805 45.445 1.00 6.53 ? 119 LEU B N 1 ATOM 2655 C CA . LEU B 1 119 ? -7.934 10.056 45.198 1.00 6.16 ? 119 LEU B CA 1 ATOM 2656 C C . LEU B 1 119 ? -9.418 9.829 45.428 1.00 6.10 ? 119 LEU B C 1 ATOM 2657 O O . LEU B 1 119 ? -9.946 8.726 45.254 1.00 6.81 ? 119 LEU B O 1 ATOM 2658 C CB . LEU B 1 119 ? -7.705 10.571 43.766 1.00 5.83 ? 119 LEU B CB 1 ATOM 2659 C CG . LEU B 1 119 ? -8.393 9.857 42.592 1.00 5.73 ? 119 LEU B CG 1 ATOM 2660 C CD1 . LEU B 1 119 ? -8.208 10.651 41.294 1.00 7.39 ? 119 LEU B CD1 1 ATOM 2661 C CD2 . LEU B 1 119 ? -7.852 8.421 42.425 1.00 6.53 ? 119 LEU B CD2 1 ATOM 2662 N N . ARG B 1 120 ? -10.098 10.909 45.790 1.00 6.42 ? 120 ARG B N 1 ATOM 2663 C CA . ARG B 1 120 ? -11.551 10.940 45.862 1.00 7.56 ? 120 ARG B CA 1 ATOM 2664 C C . ARG B 1 120 ? -12.161 9.857 46.743 1.00 8.04 ? 120 ARG B C 1 ATOM 2665 O O . ARG B 1 120 ? -13.242 9.342 46.464 1.00 8.77 ? 120 ARG B O 1 ATOM 2666 C CB . ARG B 1 120 ? -12.149 10.907 44.441 1.00 7.75 ? 120 ARG B CB 1 ATOM 2667 C CG . ARG B 1 120 ? -12.065 12.235 43.693 1.00 9.07 ? 120 ARG B CG 1 ATOM 2668 C CD . ARG B 1 120 ? -12.987 13.232 44.324 1.00 9.92 ? 120 ARG B CD 1 ATOM 2669 N NE . ARG B 1 120 ? -13.338 14.311 43.415 1.00 11.48 ? 120 ARG B NE 1 ATOM 2670 C CZ . ARG B 1 120 ? -14.143 15.308 43.757 1.00 12.73 ? 120 ARG B CZ 1 ATOM 2671 N NH1 . ARG B 1 120 ? -14.658 15.352 44.982 1.00 14.61 ? 120 ARG B NH1 1 ATOM 2672 N NH2 . ARG B 1 120 ? -14.451 16.238 42.868 1.00 12.97 ? 120 ARG B NH2 1 ATOM 2673 N N . GLN B 1 121 ? -11.505 9.540 47.847 1.00 8.81 ? 121 GLN B N 1 ATOM 2674 C CA . GLN B 1 121 ? -12.093 8.580 48.779 1.00 8.24 ? 121 GLN B CA 1 ATOM 2675 C C . GLN B 1 121 ? -13.497 9.041 49.203 1.00 8.93 ? 121 GLN B C 1 ATOM 2676 O O . GLN B 1 121 ? -13.672 10.196 49.584 1.00 10.12 ? 121 GLN B O 1 ATOM 2677 C CB . GLN B 1 121 ? -11.191 8.433 50.003 1.00 8.72 ? 121 GLN B CB 1 ATOM 2678 C CG . GLN B 1 121 ? -11.719 7.428 51.022 1.00 10.46 ? 121 GLN B CG 1 ATOM 2679 C CD . GLN B 1 121 ? -10.802 7.267 52.219 1.00 12.46 ? 121 GLN B CD 1 ATOM 2680 O OE1 . GLN B 1 121 ? -10.148 8.217 52.637 1.00 14.02 ? 121 GLN B OE1 1 ATOM 2681 N NE2 . GLN B 1 121 ? -10.746 6.059 52.771 1.00 13.35 ? 121 GLN B NE2 1 ATOM 2682 N N . GLY B 1 122 ? -14.480 8.147 49.088 1.00 9.28 ? 122 GLY B N 1 ATOM 2683 C CA . GLY B 1 122 ? -15.851 8.451 49.485 1.00 9.71 ? 122 GLY B CA 1 ATOM 2684 C C . GLY B 1 122 ? -16.746 9.006 48.388 1.00 10.02 ? 122 GLY B C 1 ATOM 2685 O O . GLY B 1 122 ? -17.941 9.137 48.550 1.00 12.07 ? 122 GLY B O 1 ATOM 2686 N N . TYR B 1 123 ? -16.153 9.371 47.261 1.00 9.98 ? 123 TYR B N 1 ATOM 2687 C CA . TYR B 1 123 ? -16.867 9.966 46.141 1.00 9.54 ? 123 TYR B CA 1 ATOM 2688 C C . TYR B 1 123 ? -17.599 8.888 45.338 1.00 9.60 ? 123 TYR B C 1 ATOM 2689 O O . TYR B 1 123 ? -17.178 7.742 45.300 1.00 10.05 ? 123 TYR B O 1 ATOM 2690 C CB . TYR B 1 123 ? -15.821 10.679 45.257 1.00 9.56 ? 123 TYR B CB 1 ATOM 2691 C CG . TYR B 1 123 ? -16.380 11.468 44.091 1.00 10.03 ? 123 TYR B CG 1 ATOM 2692 C CD1 . TYR B 1 123 ? -17.081 12.653 44.298 1.00 11.77 ? 123 TYR B CD1 1 ATOM 2693 C CD2 . TYR B 1 123 ? -16.194 11.041 42.785 1.00 8.90 ? 123 TYR B CD2 1 ATOM 2694 C CE1 . TYR B 1 123 ? -17.579 13.378 43.234 1.00 11.72 ? 123 TYR B CE1 1 ATOM 2695 C CE2 . TYR B 1 123 ? -16.699 11.761 41.712 1.00 9.36 ? 123 TYR B CE2 1 ATOM 2696 C CZ . TYR B 1 123 ? -17.382 12.928 41.947 1.00 11.61 ? 123 TYR B CZ 1 ATOM 2697 O OH . TYR B 1 123 ? -17.905 13.647 40.909 1.00 12.81 ? 123 TYR B OH 1 ATOM 2698 N N . PHE B 1 124 ? -18.668 9.282 44.660 1.00 10.03 ? 124 PHE B N 1 ATOM 2699 C CA . PHE B 1 124 ? -19.355 8.429 43.696 1.00 12.67 ? 124 PHE B CA 1 ATOM 2700 C C . PHE B 1 124 ? -19.189 9.047 42.310 1.00 11.44 ? 124 PHE B C 1 ATOM 2701 O O . PHE B 1 124 ? -19.540 10.196 42.099 1.00 11.83 ? 124 PHE B O 1 ATOM 2702 C CB . PHE B 1 124 ? -20.854 8.335 44.003 1.00 17.45 ? 124 PHE B CB 1 ATOM 2703 C CG . PHE B 1 124 ? -21.201 7.539 45.242 1.00 22.33 ? 124 PHE B CG 1 ATOM 2704 C CD1 . PHE B 1 124 ? -20.536 7.720 46.444 1.00 24.65 ? 124 PHE B CD1 1 ATOM 2705 C CD2 . PHE B 1 124 ? -22.241 6.629 45.197 1.00 24.65 ? 124 PHE B CD2 1 ATOM 2706 C CE1 . PHE B 1 124 ? -20.897 6.983 47.574 1.00 25.76 ? 124 PHE B CE1 1 ATOM 2707 C CE2 . PHE B 1 124 ? -22.602 5.897 46.311 1.00 25.70 ? 124 PHE B CE2 1 ATOM 2708 C CZ . PHE B 1 124 ? -21.926 6.073 47.498 1.00 26.07 ? 124 PHE B CZ 1 ATOM 2709 N N . VAL B 1 125 ? -18.626 8.295 41.370 1.00 9.18 ? 125 VAL B N 1 ATOM 2710 C CA . VAL B 1 125 ? -18.587 8.738 39.984 1.00 9.29 ? 125 VAL B CA 1 ATOM 2711 C C . VAL B 1 125 ? -20.014 8.860 39.486 1.00 9.19 ? 125 VAL B C 1 ATOM 2712 O O . VAL B 1 125 ? -20.821 7.938 39.649 1.00 9.65 ? 125 VAL B O 1 ATOM 2713 C CB . VAL B 1 125 ? -17.795 7.737 39.125 1.00 9.63 ? 125 VAL B CB 1 ATOM 2714 C CG1 . VAL B 1 125 ? -17.887 8.068 37.662 1.00 10.56 ? 125 VAL B CG1 1 ATOM 2715 C CG2 . VAL B 1 125 ? -16.345 7.737 39.552 1.00 11.41 ? 125 VAL B CG2 1 ATOM 2716 N N . GLU B 1 126 ? -20.353 10.015 38.912 1.00 8.90 ? 126 GLU B N 1 ATOM 2717 C CA . GLU B 1 126 ? -21.732 10.276 38.525 1.00 10.66 ? 126 GLU B CA 1 ATOM 2718 C C . GLU B 1 126 ? -22.226 9.369 37.416 1.00 9.63 ? 126 GLU B C 1 ATOM 2719 O O . GLU B 1 126 ? -21.440 8.935 36.557 1.00 8.25 ? 126 GLU B O 1 ATOM 2720 C CB . GLU B 1 126 ? -21.881 11.717 38.087 1.00 13.07 ? 126 GLU B CB 1 ATOM 2721 C CG . GLU B 1 126 ? -21.687 12.684 39.221 1.00 17.06 ? 126 GLU B CG 1 ATOM 2722 C CD . GLU B 1 126 ? -22.168 14.064 38.869 1.00 22.36 ? 126 GLU B CD 1 ATOM 2723 O OE1 . GLU B 1 126 ? -22.302 14.336 37.654 1.00 24.12 ? 126 GLU B OE1 1 ATOM 2724 O OE2 . GLU B 1 126 ? -22.416 14.863 39.792 1.00 24.72 ? 126 GLU B OE2 1 ATOM 2725 N N . ALA B 1 127 ? -23.535 9.124 37.444 1.00 10.83 ? 127 ALA B N 1 ATOM 2726 C CA . ALA B 1 127 ? -24.231 8.326 36.450 1.00 10.56 ? 127 ALA B CA 1 ATOM 2727 C C . ALA B 1 127 ? -24.523 9.121 35.181 1.00 9.95 ? 127 ALA B C 1 ATOM 2728 O O . ALA B 1 127 ? -24.343 10.345 35.120 1.00 10.78 ? 127 ALA B O 1 ATOM 2729 C CB . ALA B 1 127 ? -25.549 7.806 37.030 1.00 11.85 ? 127 ALA B CB 1 ATOM 2730 N N . GLN B 1 128 ? -25.008 8.392 34.178 1.00 9.17 ? 128 GLN B N 1 ATOM 2731 C CA . GLN B 1 128 ? -25.466 8.956 32.909 1.00 8.94 ? 128 GLN B CA 1 ATOM 2732 C C . GLN B 1 128 ? -24.366 9.688 32.157 1.00 8.65 ? 128 GLN B C 1 ATOM 2733 O O . GLN B 1 128 ? -24.484 10.851 31.808 1.00 9.54 ? 128 GLN B O 1 ATOM 2734 C CB . GLN B 1 128 ? -26.680 9.867 33.122 1.00 11.20 ? 128 GLN B CB 1 ATOM 2735 C CG . GLN B 1 128 ? -27.902 9.111 33.661 1.00 14.44 ? 128 GLN B CG 1 ATOM 2736 C CD . GLN B 1 128 ? -29.108 9.973 33.824 1.00 19.79 ? 128 GLN B CD 1 ATOM 2737 O OE1 . GLN B 1 128 ? -29.615 10.520 32.861 1.00 22.35 ? 128 GLN B OE1 1 ATOM 2738 N NE2 . GLN B 1 128 ? -29.583 10.092 35.047 1.00 21.48 ? 128 GLN B NE2 1 ATOM 2739 N N . PRO B 1 129 ? -23.290 8.970 31.860 1.00 8.13 ? 129 PRO B N 1 ATOM 2740 C CA . PRO B 1 129 ? -22.174 9.585 31.140 1.00 7.89 ? 129 PRO B CA 1 ATOM 2741 C C . PRO B 1 129 ? -22.412 9.646 29.647 1.00 7.88 ? 129 PRO B C 1 ATOM 2742 O O . PRO B 1 129 ? -23.245 8.942 29.083 1.00 9.82 ? 129 PRO B O 1 ATOM 2743 C CB . PRO B 1 129 ? -21.038 8.599 31.398 1.00 7.98 ? 129 PRO B CB 1 ATOM 2744 C CG . PRO B 1 129 ? -21.725 7.276 31.409 1.00 8.91 ? 129 PRO B CG 1 ATOM 2745 C CD . PRO B 1 129 ? -22.992 7.565 32.205 1.00 8.63 ? 129 PRO B CD 1 ATOM 2746 N N . LYS B 1 130 ? -21.603 10.470 29.012 1.00 6.50 ? 130 LYS B N 1 ATOM 2747 C CA . LYS B 1 130 ? -21.199 10.269 27.622 1.00 6.09 ? 130 LYS B CA 1 ATOM 2748 C C . LYS B 1 130 ? -19.795 9.725 27.692 1.00 5.94 ? 130 LYS B C 1 ATOM 2749 O O . LYS B 1 130 ? -18.926 10.304 28.358 1.00 6.30 ? 130 LYS B O 1 ATOM 2750 C CB . LYS B 1 130 ? -21.194 11.579 26.844 1.00 10.11 ? 130 LYS B CB 1 ATOM 2751 C CG . LYS B 1 130 ? -22.562 12.185 26.636 1.00 13.90 ? 130 LYS B CG 1 ATOM 2752 C CD . LYS B 1 130 ? -23.390 11.413 25.651 1.00 17.90 ? 130 LYS B CD 1 ATOM 2753 C CE . LYS B 1 130 ? -24.640 12.187 25.260 1.00 21.65 ? 130 LYS B CE 1 ATOM 2754 N NZ . LYS B 1 130 ? -25.226 11.662 24.010 1.00 24.11 ? 130 LYS B NZ 1 ATOM 2755 N N . ILE B 1 131 ? -19.580 8.609 27.009 1.00 5.50 ? 131 ILE B N 1 ATOM 2756 C CA . ILE B 1 131 ? -18.301 7.924 27.010 1.00 5.00 ? 131 ILE B CA 1 ATOM 2757 C C . ILE B 1 131 ? -17.758 7.970 25.587 1.00 5.18 ? 131 ILE B C 1 ATOM 2758 O O . ILE B 1 131 ? -18.415 7.538 24.645 1.00 6.05 ? 131 ILE B O 1 ATOM 2759 C CB . ILE B 1 131 ? -18.451 6.483 27.451 1.00 5.74 ? 131 ILE B CB 1 ATOM 2760 C CG1 . ILE B 1 131 ? -19.080 6.407 28.860 1.00 7.06 ? 131 ILE B CG1 1 ATOM 2761 C CG2 . ILE B 1 131 ? -17.106 5.768 27.407 1.00 6.45 ? 131 ILE B CG2 1 ATOM 2762 C CD1 . ILE B 1 131 ? -19.299 4.964 29.366 1.00 8.71 ? 131 ILE B CD1 1 ATOM 2763 N N . VAL B 1 132 ? -16.564 8.530 25.451 1.00 4.32 ? 132 VAL B N 1 ATOM 2764 C CA . VAL B 1 132 ? -15.959 8.773 24.145 1.00 4.79 ? 132 VAL B CA 1 ATOM 2765 C C . VAL B 1 132 ? -14.571 8.164 24.070 1.00 4.58 ? 132 VAL B C 1 ATOM 2766 O O . VAL B 1 132 ? -13.746 8.326 24.988 1.00 5.57 ? 132 VAL B O 1 ATOM 2767 C CB . VAL B 1 132 ? -15.911 10.292 23.878 1.00 5.52 ? 132 VAL B CB 1 ATOM 2768 C CG1 . VAL B 1 132 ? -15.116 10.633 22.616 1.00 6.36 ? 132 VAL B CG1 1 ATOM 2769 C CG2 . VAL B 1 132 ? -17.327 10.832 23.784 1.00 7.44 ? 132 VAL B CG2 1 ATOM 2770 N N . LEU B 1 133 ? -14.320 7.493 22.950 1.00 5.08 ? 133 LEU B N 1 ATOM 2771 C CA . LEU B 1 133 ? -12.975 7.122 22.511 1.00 5.84 ? 133 LEU B CA 1 ATOM 2772 C C . LEU B 1 133 ? -12.586 8.020 21.364 1.00 5.15 ? 133 LEU B C 1 ATOM 2773 O O . LEU B 1 133 ? -13.397 8.315 20.492 1.00 5.84 ? 133 LEU B O 1 ATOM 2774 C CB . LEU B 1 133 ? -12.912 5.667 22.017 1.00 6.43 ? 133 LEU B CB 1 ATOM 2775 C CG . LEU B 1 133 ? -13.385 4.558 22.956 1.00 7.09 ? 133 LEU B CG 1 ATOM 2776 C CD1 . LEU B 1 133 ? -13.219 3.218 22.264 1.00 7.34 ? 133 LEU B CD1 1 ATOM 2777 C CD2 . LEU B 1 133 ? -12.627 4.575 24.262 1.00 8.67 ? 133 LEU B CD2 1 ATOM 2778 N N . GLY B 1 134 ? -11.314 8.396 21.328 1.00 4.64 ? 134 GLY B N 1 ATOM 2779 C CA . GLY B 1 134 ? -10.754 9.123 20.207 1.00 3.96 ? 134 GLY B CA 1 ATOM 2780 C C . GLY B 1 134 ? -10.555 10.605 20.443 1.00 4.98 ? 134 GLY B C 1 ATOM 2781 O O . GLY B 1 134 ? -9.756 11.241 19.767 1.00 5.27 ? 134 GLY B O 1 ATOM 2782 N N . GLN B 1 135 ? -11.307 11.149 21.402 1.00 5.37 ? 135 GLN B N 1 ATOM 2783 C CA . GLN B 1 135 ? -11.264 12.562 21.743 1.00 4.91 ? 135 GLN B CA 1 ATOM 2784 C C . GLN B 1 135 ? -11.443 12.708 23.240 1.00 4.75 ? 135 GLN B C 1 ATOM 2785 O O . GLN B 1 135 ? -12.000 11.842 23.910 1.00 5.81 ? 135 GLN B O 1 ATOM 2786 C CB . GLN B 1 135 ? -12.375 13.354 21.048 1.00 5.28 ? 135 GLN B CB 1 ATOM 2787 C CG . GLN B 1 135 ? -12.393 13.302 19.534 1.00 5.77 ? 135 GLN B CG 1 ATOM 2788 C CD . GLN B 1 135 ? -11.229 14.034 18.879 1.00 5.43 ? 135 GLN B CD 1 ATOM 2789 O OE1 . GLN B 1 135 ? -10.630 14.944 19.453 1.00 6.83 ? 135 GLN B OE1 1 ATOM 2790 N NE2 . GLN B 1 135 ? -10.914 13.643 17.644 1.00 5.78 ? 135 GLN B NE2 1 ATOM 2791 N N . GLU B 1 136 ? -10.940 13.822 23.740 1.00 5.59 ? 136 GLU B N 1 ATOM 2792 C CA . GLU B 1 136 ? -11.132 14.220 25.133 1.00 4.48 ? 136 GLU B CA 1 ATOM 2793 C C . GLU B 1 136 ? -12.289 15.201 25.200 1.00 4.51 ? 136 GLU B C 1 ATOM 2794 O O . GLU B 1 136 ? -12.266 16.221 24.506 1.00 5.94 ? 136 GLU B O 1 ATOM 2795 C CB . GLU B 1 136 ? -9.836 14.879 25.631 1.00 5.24 ? 136 GLU B CB 1 ATOM 2796 C CG . GLU B 1 136 ? -9.616 14.808 27.130 1.00 6.37 ? 136 GLU B CG 1 ATOM 2797 C CD . GLU B 1 136 ? -10.464 15.757 27.931 1.00 6.13 ? 136 GLU B CD 1 ATOM 2798 O OE1 . GLU B 1 136 ? -10.545 16.953 27.584 1.00 6.12 ? 136 GLU B OE1 1 ATOM 2799 O OE2 . GLU B 1 136 ? -11.086 15.308 28.923 1.00 7.08 ? 136 GLU B OE2 1 ATOM 2800 N N . GLN B 1 137 ? -13.306 14.895 25.999 1.00 4.66 ? 137 GLN B N 1 ATOM 2801 C CA . GLN B 1 137 ? -14.458 15.798 26.097 1.00 5.08 ? 137 GLN B CA 1 ATOM 2802 C C . GLN B 1 137 ? -14.179 16.945 27.061 1.00 4.74 ? 137 GLN B C 1 ATOM 2803 O O . GLN B 1 137 ? -13.608 16.709 28.124 1.00 5.31 ? 137 GLN B O 1 ATOM 2804 C CB . GLN B 1 137 ? -15.674 15.062 26.659 1.00 5.14 ? 137 GLN B CB 1 ATOM 2805 C CG . GLN B 1 137 ? -16.221 13.978 25.787 1.00 6.08 ? 137 GLN B CG 1 ATOM 2806 C CD . GLN B 1 137 ? -17.256 13.176 26.504 1.00 6.58 ? 137 GLN B CD 1 ATOM 2807 O OE1 . GLN B 1 137 ? -18.413 13.547 26.523 1.00 8.17 ? 137 GLN B OE1 1 ATOM 2808 N NE2 . GLN B 1 137 ? -16.838 12.109 27.155 1.00 6.13 ? 137 GLN B NE2 1 ATOM 2809 N N . ASP B 1 138 ? -14.640 18.153 26.724 1.00 5.09 ? 138 ASP B N 1 ATOM 2810 C CA . ASP B 1 138 ? -14.759 19.257 27.700 1.00 5.93 ? 138 ASP B CA 1 ATOM 2811 C C . ASP B 1 138 ? -16.200 19.664 27.978 1.00 7.00 ? 138 ASP B C 1 ATOM 2812 O O . ASP B 1 138 ? -16.443 20.503 28.835 1.00 9.64 ? 138 ASP B O 1 ATOM 2813 C CB . ASP B 1 138 ? -13.927 20.473 27.286 1.00 6.00 ? 138 ASP B CB 1 ATOM 2814 C CG . ASP B 1 138 ? -12.440 20.228 27.412 1.00 6.42 ? 138 ASP B CG 1 ATOM 2815 O OD1 . ASP B 1 138 ? -12.031 19.350 28.205 1.00 6.11 ? 138 ASP B OD1 1 ATOM 2816 O OD2 . ASP B 1 138 ? -11.660 20.910 26.716 1.00 7.54 ? 138 ASP B OD2 1 ATOM 2817 N N . SER B 1 139 ? -17.149 19.027 27.303 1.00 7.63 ? 139 SER B N 1 ATOM 2818 C CA . SER B 1 139 ? -18.567 19.219 27.574 1.00 7.67 ? 139 SER B CA 1 ATOM 2819 C C . SER B 1 139 ? -19.246 17.862 27.584 1.00 8.22 ? 139 SER B C 1 ATOM 2820 O O . SER B 1 139 ? -18.580 16.834 27.493 1.00 8.87 ? 139 SER B O 1 ATOM 2821 C CB . SER B 1 139 ? -19.186 20.079 26.474 1.00 9.56 ? 139 SER B CB 1 ATOM 2822 O OG . SER B 1 139 ? -19.246 19.347 25.262 1.00 11.21 ? 139 SER B OG 1 ATOM 2823 N N . TYR B 1 140 ? -20.569 17.849 27.693 1.00 8.97 ? 140 TYR B N 1 ATOM 2824 C CA . TYR B 1 140 ? -21.308 16.595 27.700 1.00 9.52 ? 140 TYR B CA 1 ATOM 2825 C C . TYR B 1 140 ? -21.455 16.089 26.270 1.00 9.36 ? 140 TYR B C 1 ATOM 2826 O O . TYR B 1 140 ? -22.402 16.411 25.565 1.00 11.20 ? 140 TYR B O 1 ATOM 2827 C CB . TYR B 1 140 ? -22.658 16.795 28.402 1.00 9.99 ? 140 TYR B CB 1 ATOM 2828 C CG . TYR B 1 140 ? -23.426 15.519 28.689 1.00 9.60 ? 140 TYR B CG 1 ATOM 2829 C CD1 . TYR B 1 140 ? -22.888 14.516 29.485 1.00 8.38 ? 140 TYR B CD1 1 ATOM 2830 C CD2 . TYR B 1 140 ? -24.721 15.345 28.214 1.00 11.61 ? 140 TYR B CD2 1 ATOM 2831 C CE1 . TYR B 1 140 ? -23.600 13.363 29.782 1.00 9.11 ? 140 TYR B CE1 1 ATOM 2832 C CE2 . TYR B 1 140 ? -25.445 14.193 28.521 1.00 11.85 ? 140 TYR B CE2 1 ATOM 2833 C CZ . TYR B 1 140 ? -24.866 13.206 29.294 1.00 11.43 ? 140 TYR B CZ 1 ATOM 2834 O OH . TYR B 1 140 ? -25.572 12.069 29.602 1.00 13.36 ? 140 TYR B OH 1 ATOM 2835 N N . GLY B 1 141 ? -20.470 15.313 25.843 1.00 7.79 ? 141 GLY B N 1 ATOM 2836 C CA . GLY B 1 141 ? -20.459 14.723 24.521 1.00 8.73 ? 141 GLY B CA 1 ATOM 2837 C C . GLY B 1 141 ? -19.624 15.464 23.499 1.00 9.54 ? 141 GLY B C 1 ATOM 2838 O O . GLY B 1 141 ? -19.589 15.057 22.341 1.00 13.14 ? 141 GLY B O 1 ATOM 2839 N N . GLY B 1 142 ? -18.952 16.542 23.890 1.00 8.26 ? 142 GLY B N 1 ATOM 2840 C CA . GLY B 1 142 ? -18.272 17.377 22.906 1.00 9.25 ? 142 GLY B CA 1 ATOM 2841 C C . GLY B 1 142 ? -17.156 18.259 23.453 1.00 8.20 ? 142 GLY B C 1 ATOM 2842 O O . GLY B 1 142 ? -16.468 17.900 24.422 1.00 8.02 ? 142 GLY B O 1 ATOM 2843 N N . LYS B 1 143 ? -16.971 19.400 22.793 1.00 8.93 ? 143 LYS B N 1 ATOM 2844 C CA . LYS B 1 143 ? -15.887 20.346 23.035 1.00 9.23 ? 143 LYS B CA 1 ATOM 2845 C C . LYS B 1 143 ? -14.536 19.643 23.065 1.00 7.33 ? 143 LYS B C 1 ATOM 2846 O O . LYS B 1 143 ? -13.790 19.681 24.045 1.00 8.05 ? 143 LYS B O 1 ATOM 2847 C CB . LYS B 1 143 ? -16.132 21.178 24.293 1.00 11.87 ? 143 LYS B CB 1 ATOM 2848 C CG . LYS B 1 143 ? -17.171 22.266 24.098 1.00 17.53 ? 143 LYS B CG 1 ATOM 2849 C CD . LYS B 1 143 ? -17.331 23.148 25.326 1.00 21.64 ? 143 LYS B CD 1 ATOM 2850 C CE . LYS B 1 143 ? -16.020 23.464 26.023 1.00 25.30 ? 143 LYS B CE 1 ATOM 2851 N NZ . LYS B 1 143 ? -15.247 24.523 25.328 1.00 27.23 ? 143 LYS B NZ 1 ATOM 2852 N N . PHE B 1 144 ? -14.245 19.019 21.939 1.00 6.42 ? 144 PHE B N 1 ATOM 2853 C CA . PHE B 1 144 ? -13.019 18.254 21.746 1.00 6.15 ? 144 PHE B CA 1 ATOM 2854 C C . PHE B 1 144 ? -11.825 19.184 21.473 1.00 7.15 ? 144 PHE B C 1 ATOM 2855 O O . PHE B 1 144 ? -12.007 20.370 21.229 1.00 8.62 ? 144 PHE B O 1 ATOM 2856 C CB . PHE B 1 144 ? -13.206 17.293 20.579 1.00 6.49 ? 144 PHE B CB 1 ATOM 2857 C CG . PHE B 1 144 ? -14.365 16.339 20.722 1.00 6.33 ? 144 PHE B CG 1 ATOM 2858 C CD1 . PHE B 1 144 ? -14.662 15.729 21.917 1.00 6.98 ? 144 PHE B CD1 1 ATOM 2859 C CD2 . PHE B 1 144 ? -15.122 16.006 19.613 1.00 7.28 ? 144 PHE B CD2 1 ATOM 2860 C CE1 . PHE B 1 144 ? -15.701 14.817 22.013 1.00 7.56 ? 144 PHE B CE1 1 ATOM 2861 C CE2 . PHE B 1 144 ? -16.162 15.084 19.710 1.00 9.02 ? 144 PHE B CE2 1 ATOM 2862 C CZ . PHE B 1 144 ? -16.450 14.504 20.910 1.00 8.62 ? 144 PHE B CZ 1 ATOM 2863 N N . ASP B 1 145 ? -10.621 18.618 21.463 1.00 6.60 ? 145 ASP B N 1 ATOM 2864 C CA . ASP B 1 145 ? -9.377 19.367 21.297 1.00 6.77 ? 145 ASP B CA 1 ATOM 2865 C C . ASP B 1 145 ? -8.437 18.503 20.459 1.00 6.42 ? 145 ASP B C 1 ATOM 2866 O O . ASP B 1 145 ? -8.037 17.424 20.886 1.00 6.17 ? 145 ASP B O 1 ATOM 2867 C CB . ASP B 1 145 ? -8.786 19.640 22.686 1.00 7.96 ? 145 ASP B CB 1 ATOM 2868 C CG . ASP B 1 145 ? -7.476 20.387 22.652 1.00 9.55 ? 145 ASP B CG 1 ATOM 2869 O OD1 . ASP B 1 145 ? -6.874 20.503 21.575 1.00 10.35 ? 145 ASP B OD1 1 ATOM 2870 O OD2 . ASP B 1 145 ? -7.041 20.863 23.727 1.00 11.34 ? 145 ASP B OD2 1 ATOM 2871 N N . ARG B 1 146 ? -8.071 18.965 19.265 1.00 6.80 ? 146 ARG B N 1 ATOM 2872 C CA . ARG B 1 146 ? -7.269 18.146 18.377 1.00 7.35 ? 146 ARG B CA 1 ATOM 2873 C C . ARG B 1 146 ? -5.935 17.760 19.009 1.00 6.85 ? 146 ARG B C 1 ATOM 2874 O O . ARG B 1 146 ? -5.414 16.672 18.747 1.00 5.98 ? 146 ARG B O 1 ATOM 2875 C CB . ARG B 1 146 ? -7.094 18.888 17.050 1.00 8.80 ? 146 ARG B CB 1 ATOM 2876 C CG . ARG B 1 146 ? -6.346 18.104 16.001 1.00 10.19 ? 146 ARG B CG 1 ATOM 2877 C CD . ARG B 1 146 ? -6.484 18.722 14.626 1.00 12.54 ? 146 ARG B CD 1 ATOM 2878 N NE . ARG B 1 146 ? -5.779 19.988 14.562 1.00 14.47 ? 146 ARG B NE 1 ATOM 2879 C CZ . ARG B 1 146 ? -5.704 20.733 13.458 1.00 17.31 ? 146 ARG B CZ 1 ATOM 2880 N NH1 . ARG B 1 146 ? -6.323 20.340 12.352 1.00 18.56 ? 146 ARG B NH1 1 ATOM 2881 N NH2 . ARG B 1 146 ? -5.015 21.871 13.462 1.00 19.09 ? 146 ARG B NH2 1 ATOM 2882 N N . SER B 1 147 ? -5.392 18.626 19.857 1.00 6.91 ? 147 SER B N 1 ATOM 2883 C CA . SER B 1 147 ? -4.112 18.351 20.503 1.00 7.98 ? 147 SER B CA 1 ATOM 2884 C C . SER B 1 147 ? -4.194 17.293 21.620 1.00 7.30 ? 147 SER B C 1 ATOM 2885 O O . SER B 1 147 ? -3.167 16.891 22.183 1.00 8.16 ? 147 SER B O 1 ATOM 2886 C CB . SER B 1 147 ? -3.503 19.642 21.047 1.00 9.92 ? 147 SER B CB 1 ATOM 2887 O OG . SER B 1 147 ? -4.166 20.075 22.222 1.00 12.91 ? 147 SER B OG 1 ATOM 2888 N N . GLN B 1 148 ? -5.404 16.813 21.910 1.00 6.10 ? 148 GLN B N 1 ATOM 2889 C CA . GLN B 1 148 ? -5.623 15.734 22.875 1.00 5.86 ? 148 GLN B CA 1 ATOM 2890 C C . GLN B 1 148 ? -6.245 14.509 22.222 1.00 4.84 ? 148 GLN B C 1 ATOM 2891 O O . GLN B 1 148 ? -6.543 13.512 22.898 1.00 5.61 ? 148 GLN B O 1 ATOM 2892 C CB . GLN B 1 148 ? -6.540 16.215 23.992 1.00 6.42 ? 148 GLN B CB 1 ATOM 2893 C CG . GLN B 1 148 ? -5.971 17.363 24.771 1.00 8.20 ? 148 GLN B CG 1 ATOM 2894 C CD . GLN B 1 148 ? -6.875 17.803 25.879 1.00 9.72 ? 148 GLN B CD 1 ATOM 2895 O OE1 . GLN B 1 148 ? -8.077 18.019 25.696 1.00 8.26 ? 148 GLN B OE1 1 ATOM 2896 N NE2 . GLN B 1 148 ? -6.301 17.933 27.059 1.00 13.60 ? 148 GLN B NE2 1 ATOM 2897 N N . SER B 1 149 ? -6.416 14.554 20.906 1.00 4.90 ? 149 SER B N 1 ATOM 2898 C CA . SER B 1 149 ? -7.056 13.465 20.181 1.00 4.42 ? 149 SER B CA 1 ATOM 2899 C C . SER B 1 149 ? -6.176 12.210 20.149 1.00 3.95 ? 149 SER B C 1 ATOM 2900 O O . SER B 1 149 ? -4.965 12.282 20.141 1.00 5.87 ? 149 SER B O 1 ATOM 2901 C CB . SER B 1 149 ? -7.431 13.909 18.758 1.00 5.52 ? 149 SER B CB 1 ATOM 2902 O OG . SER B 1 149 ? -6.301 14.187 17.935 1.00 6.48 ? 149 SER B OG 1 ATOM 2903 N N . PHE B 1 150 ? -6.817 11.056 20.096 1.00 4.58 ? 150 PHE B N 1 ATOM 2904 C CA . PHE B 1 150 ? -6.108 9.781 20.010 1.00 4.34 ? 150 PHE B CA 1 ATOM 2905 C C . PHE B 1 150 ? -5.995 9.371 18.540 1.00 5.38 ? 150 PHE B C 1 ATOM 2906 O O . PHE B 1 150 ? -6.975 9.371 17.796 1.00 7.24 ? 150 PHE B O 1 ATOM 2907 C CB . PHE B 1 150 ? -6.846 8.678 20.800 1.00 4.86 ? 150 PHE B CB 1 ATOM 2908 C CG . PHE B 1 150 ? -6.197 7.321 20.686 1.00 5.11 ? 150 PHE B CG 1 ATOM 2909 C CD1 . PHE B 1 150 ? -5.114 6.985 21.470 1.00 6.13 ? 150 PHE B CD1 1 ATOM 2910 C CD2 . PHE B 1 150 ? -6.690 6.388 19.798 1.00 4.91 ? 150 PHE B CD2 1 ATOM 2911 C CE1 . PHE B 1 150 ? -4.515 5.759 21.332 1.00 6.49 ? 150 PHE B CE1 1 ATOM 2912 C CE2 . PHE B 1 150 ? -6.103 5.171 19.657 1.00 5.09 ? 150 PHE B CE2 1 ATOM 2913 C CZ . PHE B 1 150 ? -5.024 4.837 20.437 1.00 5.66 ? 150 PHE B CZ 1 ATOM 2914 N N . VAL B 1 151 ? -4.786 9.030 18.124 1.00 3.90 ? 151 VAL B N 1 ATOM 2915 C CA . VAL B 1 151 ? -4.525 8.507 16.784 1.00 4.76 ? 151 VAL B CA 1 ATOM 2916 C C . VAL B 1 151 ? -3.899 7.152 17.009 1.00 5.63 ? 151 VAL B C 1 ATOM 2917 O O . VAL B 1 151 ? -2.932 7.017 17.749 1.00 6.00 ? 151 VAL B O 1 ATOM 2918 C CB . VAL B 1 151 ? -3.569 9.432 15.987 1.00 5.76 ? 151 VAL B CB 1 ATOM 2919 C CG1 . VAL B 1 151 ? -3.351 8.894 14.564 1.00 6.39 ? 151 VAL B CG1 1 ATOM 2920 C CG2 . VAL B 1 151 ? -4.129 10.848 15.949 1.00 6.84 ? 151 VAL B CG2 1 ATOM 2921 N N . GLY B 1 152 ? -4.472 6.142 16.387 1.00 5.27 ? 152 GLY B N 1 ATOM 2922 C CA . GLY B 1 152 ? -4.021 4.780 16.578 1.00 5.10 ? 152 GLY B CA 1 ATOM 2923 C C . GLY B 1 152 ? -5.185 3.829 16.694 1.00 5.26 ? 152 GLY B C 1 ATOM 2924 O O . GLY B 1 152 ? -6.255 4.077 16.150 1.00 6.00 ? 152 GLY B O 1 ATOM 2925 N N . GLU B 1 153 ? -4.957 2.735 17.406 1.00 4.19 ? 153 GLU B N 1 ATOM 2926 C CA . GLU B 1 153 ? -5.905 1.622 17.446 1.00 4.30 ? 153 GLU B CA 1 ATOM 2927 C C . GLU B 1 153 ? -6.258 1.277 18.891 1.00 4.03 ? 153 GLU B C 1 ATOM 2928 O O . GLU B 1 153 ? -5.375 1.286 19.763 1.00 5.10 ? 153 GLU B O 1 ATOM 2929 C CB . GLU B 1 153 ? -5.291 0.385 16.753 1.00 5.38 ? 153 GLU B CB 1 ATOM 2930 C CG . GLU B 1 153 ? -4.734 0.702 15.342 1.00 6.10 ? 153 GLU B CG 1 ATOM 2931 C CD . GLU B 1 153 ? -4.145 -0.478 14.649 1.00 7.78 ? 153 GLU B CD 1 ATOM 2932 O OE1 . GLU B 1 153 ? -4.772 -1.563 14.725 1.00 9.36 ? 153 GLU B OE1 1 ATOM 2933 O OE2 . GLU B 1 153 ? -3.096 -0.283 13.987 1.00 8.76 ? 153 GLU B OE2 1 ATOM 2934 N N . ILE B 1 154 ? -7.535 0.991 19.128 1.00 4.67 ? 154 ILE B N 1 ATOM 2935 C CA . ILE B 1 154 ? -8.017 0.533 20.441 1.00 4.76 ? 154 ILE B CA 1 ATOM 2936 C C . ILE B 1 154 ? -8.899 -0.695 20.249 1.00 5.87 ? 154 ILE B C 1 ATOM 2937 O O . ILE B 1 154 ? -9.739 -0.752 19.370 1.00 7.64 ? 154 ILE B O 1 ATOM 2938 C CB . ILE B 1 154 ? -8.840 1.616 21.157 1.00 7.02 ? 154 ILE B CB 1 ATOM 2939 C CG1 . ILE B 1 154 ? -7.936 2.778 21.561 1.00 8.85 ? 154 ILE B CG1 1 ATOM 2940 C CG2 . ILE B 1 154 ? -9.559 1.058 22.391 1.00 8.20 ? 154 ILE B CG2 1 ATOM 2941 C CD1 . ILE B 1 154 ? -8.672 4.051 22.071 1.00 11.01 ? 154 ILE B CD1 1 ATOM 2942 N N . GLY B 1 155 ? -8.692 -1.695 21.083 1.00 6.15 ? 155 GLY B N 1 ATOM 2943 C CA . GLY B 1 155 ? -9.512 -2.888 21.041 1.00 7.33 ? 155 GLY B CA 1 ATOM 2944 C C . GLY B 1 155 ? -9.652 -3.527 22.410 1.00 5.86 ? 155 GLY B C 1 ATOM 2945 O O . GLY B 1 155 ? -9.090 -3.071 23.397 1.00 6.64 ? 155 GLY B O 1 ATOM 2946 N N . ASP B 1 156 ? -10.417 -4.609 22.448 1.00 6.49 ? 156 ASP B N 1 ATOM 2947 C CA . ASP B 1 156 ? -10.577 -5.445 23.640 1.00 6.81 ? 156 ASP B CA 1 ATOM 2948 C C . ASP B 1 156 ? -10.909 -4.628 24.879 1.00 6.00 ? 156 ASP B C 1 ATOM 2949 O O . ASP B 1 156 ? -10.292 -4.789 25.939 1.00 6.36 ? 156 ASP B O 1 ATOM 2950 C CB . ASP B 1 156 ? -9.335 -6.316 23.878 1.00 9.24 ? 156 ASP B CB 1 ATOM 2951 C CG . ASP B 1 156 ? -9.171 -7.399 22.851 1.00 12.23 ? 156 ASP B CG 1 ATOM 2952 O OD1 . ASP B 1 156 ? -10.113 -7.631 22.071 1.00 14.58 ? 156 ASP B OD1 1 ATOM 2953 O OD2 . ASP B 1 156 ? -8.073 -8.023 22.821 1.00 14.05 ? 156 ASP B OD2 1 ATOM 2954 N N . LEU B 1 157 ? -11.928 -3.789 24.750 1.00 5.93 ? 157 LEU B N 1 ATOM 2955 C CA . LEU B 1 157 ? -12.364 -2.919 25.839 1.00 4.88 ? 157 LEU B CA 1 ATOM 2956 C C . LEU B 1 157 ? -13.484 -3.532 26.663 1.00 5.02 ? 157 LEU B C 1 ATOM 2957 O O . LEU B 1 157 ? -14.497 -3.955 26.131 1.00 5.92 ? 157 LEU B O 1 ATOM 2958 C CB . LEU B 1 157 ? -12.760 -1.534 25.300 1.00 5.93 ? 157 LEU B CB 1 ATOM 2959 C CG . LEU B 1 157 ? -13.006 -0.480 26.396 1.00 7.64 ? 157 LEU B CG 1 ATOM 2960 C CD1 . LEU B 1 157 ? -12.611 0.941 25.906 1.00 9.16 ? 157 LEU B CD1 1 ATOM 2961 C CD2 . LEU B 1 157 ? -14.444 -0.468 26.888 1.00 8.05 ? 157 LEU B CD2 1 ATOM 2962 N N . TYR B 1 158 ? -13.261 -3.552 27.971 1.00 4.95 ? 158 TYR B N 1 ATOM 2963 C CA . TYR B 1 158 ? -14.191 -4.111 28.951 1.00 5.21 ? 158 TYR B CA 1 ATOM 2964 C C . TYR B 1 158 ? -14.223 -3.201 30.166 1.00 5.36 ? 158 TYR B C 1 ATOM 2965 O O . TYR B 1 158 ? -13.211 -2.634 30.587 1.00 6.28 ? 158 TYR B O 1 ATOM 2966 C CB . TYR B 1 158 ? -13.738 -5.507 29.403 1.00 6.75 ? 158 TYR B CB 1 ATOM 2967 C CG . TYR B 1 158 ? -13.692 -6.503 28.298 1.00 7.74 ? 158 TYR B CG 1 ATOM 2968 C CD1 . TYR B 1 158 ? -12.544 -6.665 27.519 1.00 7.85 ? 158 TYR B CD1 1 ATOM 2969 C CD2 . TYR B 1 158 ? -14.809 -7.255 27.970 1.00 8.31 ? 158 TYR B CD2 1 ATOM 2970 C CE1 . TYR B 1 158 ? -12.524 -7.551 26.466 1.00 8.21 ? 158 TYR B CE1 1 ATOM 2971 C CE2 . TYR B 1 158 ? -14.779 -8.163 26.936 1.00 9.10 ? 158 TYR B CE2 1 ATOM 2972 C CZ . TYR B 1 158 ? -13.633 -8.299 26.178 1.00 9.12 ? 158 TYR B CZ 1 ATOM 2973 O OH . TYR B 1 158 ? -13.577 -9.211 25.123 1.00 12.20 ? 158 TYR B OH 1 ATOM 2974 N N . MET B 1 159 ? -15.411 -3.053 30.741 1.00 5.30 ? 159 MET B N 1 ATOM 2975 C CA . MET B 1 159 ? -15.561 -2.264 31.952 1.00 5.56 ? 159 MET B CA 1 ATOM 2976 C C . MET B 1 159 ? -16.537 -2.982 32.880 1.00 5.76 ? 159 MET B C 1 ATOM 2977 O O . MET B 1 159 ? -17.641 -3.364 32.471 1.00 6.30 ? 159 MET B O 1 ATOM 2978 C CB . MET B 1 159 ? -16.053 -0.846 31.640 1.00 6.31 ? 159 MET B CB 1 ATOM 2979 C CG . MET B 1 159 ? -15.944 0.107 32.816 1.00 7.41 ? 159 MET B CG 1 ATOM 2980 S SD . MET B 1 159 ? -16.419 1.770 32.346 1.00 9.55 ? 159 MET B SD 1 ATOM 2981 C CE . MET B 1 159 ? -16.134 2.645 33.879 1.00 11.26 ? 159 MET B CE 1 ATOM 2982 N N . TRP B 1 160 ? -16.106 -3.146 34.122 1.00 6.06 ? 160 TRP B N 1 ATOM 2983 C CA . TRP B 1 160 ? -16.860 -3.867 35.147 1.00 6.27 ? 160 TRP B CA 1 ATOM 2984 C C . TRP B 1 160 ? -17.169 -2.896 36.275 1.00 7.28 ? 160 TRP B C 1 ATOM 2985 O O . TRP B 1 160 ? -16.383 -1.989 36.570 1.00 7.47 ? 160 TRP B O 1 ATOM 2986 C CB . TRP B 1 160 ? -15.994 -4.970 35.750 1.00 7.11 ? 160 TRP B CB 1 ATOM 2987 C CG . TRP B 1 160 ? -15.560 -6.071 34.858 1.00 8.06 ? 160 TRP B CG 1 ATOM 2988 C CD1 . TRP B 1 160 ? -16.154 -7.285 34.734 1.00 9.18 ? 160 TRP B CD1 1 ATOM 2989 C CD2 . TRP B 1 160 ? -14.405 -6.099 33.997 1.00 7.98 ? 160 TRP B CD2 1 ATOM 2990 N NE1 . TRP B 1 160 ? -15.455 -8.066 33.858 1.00 9.47 ? 160 TRP B NE1 1 ATOM 2991 C CE2 . TRP B 1 160 ? -14.377 -7.369 33.384 1.00 8.95 ? 160 TRP B CE2 1 ATOM 2992 C CE3 . TRP B 1 160 ? -13.391 -5.180 33.692 1.00 7.91 ? 160 TRP B CE3 1 ATOM 2993 C CZ2 . TRP B 1 160 ? -13.387 -7.740 32.468 1.00 8.60 ? 160 TRP B CZ2 1 ATOM 2994 C CZ3 . TRP B 1 160 ? -12.403 -5.558 32.797 1.00 7.81 ? 160 TRP B CZ3 1 ATOM 2995 C CH2 . TRP B 1 160 ? -12.401 -6.836 32.211 1.00 8.79 ? 160 TRP B CH2 1 ATOM 2996 N N . ASP B 1 161 ? -18.279 -3.115 36.974 1.00 7.37 ? 161 ASP B N 1 ATOM 2997 C CA . ASP B 1 161 ? -18.627 -2.278 38.137 1.00 9.11 ? 161 ASP B CA 1 ATOM 2998 C C . ASP B 1 161 ? -18.060 -2.817 39.457 1.00 9.54 ? 161 ASP B C 1 ATOM 2999 O O . ASP B 1 161 ? -18.652 -2.606 40.505 1.00 11.39 ? 161 ASP B O 1 ATOM 3000 C CB . ASP B 1 161 ? -20.152 -2.093 38.262 1.00 12.28 ? 161 ASP B CB 1 ATOM 3001 C CG . ASP B 1 161 ? -20.884 -3.360 38.718 1.00 15.21 ? 161 ASP B CG 1 ATOM 3002 O OD1 . ASP B 1 161 ? -20.288 -4.455 38.701 1.00 14.91 ? 161 ASP B OD1 1 ATOM 3003 O OD2 . ASP B 1 161 ? -22.089 -3.252 39.086 1.00 17.86 ? 161 ASP B OD2 1 ATOM 3004 N N . SER B 1 162 ? -16.913 -3.490 39.387 1.00 8.69 ? 162 SER B N 1 ATOM 3005 C CA . SER B 1 162 ? -16.197 -4.022 40.542 1.00 9.89 ? 162 SER B CA 1 ATOM 3006 C C . SER B 1 162 ? -14.698 -3.824 40.336 1.00 9.12 ? 162 SER B C 1 ATOM 3007 O O . SER B 1 162 ? -14.267 -3.550 39.228 1.00 9.12 ? 162 SER B O 1 ATOM 3008 C CB . SER B 1 162 ? -16.514 -5.519 40.740 1.00 11.85 ? 162 SER B CB 1 ATOM 3009 O OG . SER B 1 162 ? -16.208 -6.304 39.595 1.00 13.95 ? 162 SER B OG 1 ATOM 3010 N N . VAL B 1 163 ? -13.925 -3.993 41.407 1.00 9.77 ? 163 VAL B N 1 ATOM 3011 C CA . VAL B 1 163 ? -12.473 -3.975 41.344 1.00 10.69 ? 163 VAL B CA 1 ATOM 3012 C C . VAL B 1 163 ? -11.969 -5.389 41.095 1.00 11.74 ? 163 VAL B C 1 ATOM 3013 O O . VAL B 1 163 ? -12.109 -6.272 41.949 1.00 13.30 ? 163 VAL B O 1 ATOM 3014 C CB . VAL B 1 163 ? -11.861 -3.436 42.664 1.00 12.17 ? 163 VAL B CB 1 ATOM 3015 C CG1 . VAL B 1 163 ? -10.343 -3.495 42.627 1.00 11.99 ? 163 VAL B CG1 1 ATOM 3016 C CG2 . VAL B 1 163 ? -12.332 -2.013 42.931 1.00 14.12 ? 163 VAL B CG2 1 ATOM 3017 N N . LEU B 1 164 ? -11.354 -5.611 39.942 1.00 11.96 ? 164 LEU B N 1 ATOM 3018 C CA . LEU B 1 164 ? -10.886 -6.945 39.607 1.00 12.64 ? 164 LEU B CA 1 ATOM 3019 C C . LEU B 1 164 ? -9.647 -7.293 40.402 1.00 12.63 ? 164 LEU B C 1 ATOM 3020 O O . LEU B 1 164 ? -8.775 -6.467 40.584 1.00 13.38 ? 164 LEU B O 1 ATOM 3021 C CB . LEU B 1 164 ? -10.565 -7.060 38.120 1.00 13.77 ? 164 LEU B CB 1 ATOM 3022 C CG . LEU B 1 164 ? -11.719 -6.910 37.123 1.00 15.93 ? 164 LEU B CG 1 ATOM 3023 C CD1 . LEU B 1 164 ? -11.221 -7.279 35.738 1.00 16.50 ? 164 LEU B CD1 1 ATOM 3024 C CD2 . LEU B 1 164 ? -12.887 -7.784 37.490 1.00 18.63 ? 164 LEU B CD2 1 ATOM 3025 N N . PRO B 1 165 ? -9.571 -8.536 40.884 1.00 13.23 ? 165 PRO B N 1 ATOM 3026 C CA . PRO B 1 165 ? -8.337 -9.018 41.513 1.00 13.10 ? 165 PRO B CA 1 ATOM 3027 C C . PRO B 1 165 ? -7.309 -9.357 40.448 1.00 12.47 ? 165 PRO B C 1 ATOM 3028 O O . PRO B 1 165 ? -7.655 -9.482 39.270 1.00 12.35 ? 165 PRO B O 1 ATOM 3029 C CB . PRO B 1 165 ? -8.798 -10.278 42.238 1.00 14.54 ? 165 PRO B CB 1 ATOM 3030 C CG . PRO B 1 165 ? -9.906 -10.796 41.402 1.00 14.52 ? 165 PRO B CG 1 ATOM 3031 C CD . PRO B 1 165 ? -10.633 -9.557 40.920 1.00 13.55 ? 165 PRO B CD 1 ATOM 3032 N N . PRO B 1 166 ? -6.051 -9.523 40.847 1.00 12.88 ? 166 PRO B N 1 ATOM 3033 C CA . PRO B 1 166 ? -4.970 -9.745 39.879 1.00 14.29 ? 166 PRO B CA 1 ATOM 3034 C C . PRO B 1 166 ? -5.220 -10.889 38.902 1.00 14.09 ? 166 PRO B C 1 ATOM 3035 O O . PRO B 1 166 ? -4.895 -10.742 37.731 1.00 13.42 ? 166 PRO B O 1 ATOM 3036 C CB . PRO B 1 166 ? -3.760 -10.012 40.764 1.00 14.50 ? 166 PRO B CB 1 ATOM 3037 C CG . PRO B 1 166 ? -4.075 -9.312 42.053 1.00 14.70 ? 166 PRO B CG 1 ATOM 3038 C CD . PRO B 1 166 ? -5.553 -9.457 42.234 1.00 13.51 ? 166 PRO B CD 1 ATOM 3039 N N . GLU B 1 167 ? -5.787 -11.997 39.360 1.00 14.39 ? 167 GLU B N 1 ATOM 3040 C CA . GLU B 1 167 ? -5.994 -13.134 38.481 1.00 15.38 ? 167 GLU B CA 1 ATOM 3041 C C . GLU B 1 167 ? -6.935 -12.774 37.331 1.00 13.89 ? 167 GLU B C 1 ATOM 3042 O O . GLU B 1 167 ? -6.742 -13.243 36.214 1.00 14.09 ? 167 GLU B O 1 ATOM 3043 C CB . GLU B 1 167 ? -6.494 -14.358 39.258 1.00 18.73 ? 167 GLU B CB 1 ATOM 3044 C CG . GLU B 1 167 ? -7.769 -14.114 40.044 1.00 22.43 ? 167 GLU B CG 1 ATOM 3045 C CD . GLU B 1 167 ? -7.540 -13.687 41.505 1.00 24.87 ? 167 GLU B CD 1 ATOM 3046 O OE1 . GLU B 1 167 ? -6.530 -12.988 41.828 1.00 24.50 ? 167 GLU B OE1 1 ATOM 3047 O OE2 . GLU B 1 167 ? -8.399 -14.059 42.336 1.00 26.88 ? 167 GLU B OE2 1 ATOM 3048 N N . ASN B 1 168 ? -7.932 -11.931 37.599 1.00 13.02 ? 168 ASN B N 1 ATOM 3049 C CA . ASN B 1 168 ? -8.870 -11.528 36.558 1.00 13.05 ? 168 ASN B CA 1 ATOM 3050 C C . ASN B 1 168 ? -8.259 -10.506 35.616 1.00 11.91 ? 168 ASN B C 1 ATOM 3051 O O . ASN B 1 168 ? -8.595 -10.472 34.448 1.00 11.75 ? 168 ASN B O 1 ATOM 3052 C CB . ASN B 1 168 ? -10.137 -10.930 37.152 1.00 15.29 ? 168 ASN B CB 1 ATOM 3053 C CG . ASN B 1 168 ? -10.998 -11.947 37.843 1.00 18.58 ? 168 ASN B CG 1 ATOM 3054 O OD1 . ASN B 1 168 ? -10.776 -13.162 37.751 1.00 21.17 ? 168 ASN B OD1 1 ATOM 3055 N ND2 . ASN B 1 168 ? -12.002 -11.458 38.537 1.00 19.30 ? 168 ASN B ND2 1 ATOM 3056 N N A ILE B 1 169 ? -7.371 -9.669 36.147 0.32 11.92 ? 169 ILE B N 1 ATOM 3057 N N B ILE B 1 169 ? -7.366 -9.671 36.131 0.68 11.36 ? 169 ILE B N 1 ATOM 3058 C CA A ILE B 1 169 ? -6.590 -8.750 35.330 0.32 12.05 ? 169 ILE B CA 1 ATOM 3059 C CA B ILE B 1 169 ? -6.622 -8.752 35.288 0.68 11.17 ? 169 ILE B CA 1 ATOM 3060 C C A ILE B 1 169 ? -5.751 -9.535 34.338 0.32 12.18 ? 169 ILE B C 1 ATOM 3061 C C B ILE B 1 169 ? -5.725 -9.518 34.332 0.68 11.70 ? 169 ILE B C 1 ATOM 3062 O O A ILE B 1 169 ? -5.743 -9.234 33.145 0.32 11.70 ? 169 ILE B O 1 ATOM 3063 O O B ILE B 1 169 ? -5.670 -9.201 33.144 0.68 10.83 ? 169 ILE B O 1 ATOM 3064 C CB A ILE B 1 169 ? -5.653 -7.873 36.195 0.32 12.30 ? 169 ILE B CB 1 ATOM 3065 C CB B ILE B 1 169 ? -5.815 -7.750 36.137 0.68 11.04 ? 169 ILE B CB 1 ATOM 3066 C CG1 A ILE B 1 169 ? -6.462 -6.935 37.094 0.32 13.05 ? 169 ILE B CG1 1 ATOM 3067 C CG1 B ILE B 1 169 ? -6.782 -6.868 36.926 0.68 12.36 ? 169 ILE B CG1 1 ATOM 3068 C CG2 A ILE B 1 169 ? -4.707 -7.060 35.320 0.32 12.44 ? 169 ILE B CG2 1 ATOM 3069 C CG2 B ILE B 1 169 ? -4.939 -6.865 35.264 0.68 11.17 ? 169 ILE B CG2 1 ATOM 3070 C CD1 A ILE B 1 169 ? -7.252 -5.884 36.345 0.32 13.27 ? 169 ILE B CD1 1 ATOM 3071 C CD1 B ILE B 1 169 ? -6.114 -5.990 37.936 0.68 13.16 ? 169 ILE B CD1 1 ATOM 3072 N N . LEU B 1 170 ? -5.050 -10.550 34.836 1.00 12.51 ? 170 LEU B N 1 ATOM 3073 C CA . LEU B 1 170 ? -4.189 -11.361 33.988 1.00 13.54 ? 170 LEU B CA 1 ATOM 3074 C C . LEU B 1 170 ? -5.002 -12.077 32.919 1.00 13.15 ? 170 LEU B C 1 ATOM 3075 O O . LEU B 1 170 ? -4.588 -12.151 31.758 1.00 13.20 ? 170 LEU B O 1 ATOM 3076 C CB . LEU B 1 170 ? -3.371 -12.355 34.820 1.00 16.81 ? 170 LEU B CB 1 ATOM 3077 C CG . LEU B 1 170 ? -2.137 -11.734 35.466 1.00 21.39 ? 170 LEU B CG 1 ATOM 3078 C CD1 . LEU B 1 170 ? -1.392 -12.794 36.241 1.00 22.74 ? 170 LEU B CD1 1 ATOM 3079 C CD2 . LEU B 1 170 ? -1.214 -11.085 34.423 1.00 22.91 ? 170 LEU B CD2 1 ATOM 3080 N N . SER B 1 171 ? -6.167 -12.587 33.301 1.00 13.29 ? 171 SER B N 1 ATOM 3081 C CA . SER B 1 171 ? -7.051 -13.204 32.327 1.00 13.89 ? 171 SER B CA 1 ATOM 3082 C C . SER B 1 171 ? -7.403 -12.232 31.194 1.00 12.75 ? 171 SER B C 1 ATOM 3083 O O . SER B 1 171 ? -7.397 -12.598 30.035 1.00 12.96 ? 171 SER B O 1 ATOM 3084 C CB . SER B 1 171 ? -8.321 -13.701 33.014 1.00 16.22 ? 171 SER B CB 1 ATOM 3085 O OG . SER B 1 171 ? -8.021 -14.818 33.829 1.00 18.69 ? 171 SER B OG 1 ATOM 3086 N N . ALA B 1 172 ? -7.734 -10.995 31.523 1.00 12.36 ? 172 ALA B N 1 ATOM 3087 C CA . ALA B 1 172 ? -8.023 -10.011 30.485 1.00 11.26 ? 172 ALA B CA 1 ATOM 3088 C C . ALA B 1 172 ? -6.790 -9.776 29.602 1.00 10.87 ? 172 ALA B C 1 ATOM 3089 O O . ALA B 1 172 ? -6.880 -9.763 28.374 1.00 10.99 ? 172 ALA B O 1 ATOM 3090 C CB . ALA B 1 172 ? -8.505 -8.708 31.114 1.00 10.86 ? 172 ALA B CB 1 ATOM 3091 N N . TYR B 1 173 ? -5.634 -9.597 30.225 1.00 9.64 ? 173 TYR B N 1 ATOM 3092 C CA . TYR B 1 173 ? -4.393 -9.382 29.486 1.00 11.15 ? 173 TYR B CA 1 ATOM 3093 C C . TYR B 1 173 ? -4.127 -10.541 28.517 1.00 12.57 ? 173 TYR B C 1 ATOM 3094 O O . TYR B 1 173 ? -3.726 -10.324 27.370 1.00 13.26 ? 173 TYR B O 1 ATOM 3095 C CB . TYR B 1 173 ? -3.231 -9.211 30.479 1.00 11.25 ? 173 TYR B CB 1 ATOM 3096 C CG . TYR B 1 173 ? -1.876 -9.131 29.841 1.00 12.97 ? 173 TYR B CG 1 ATOM 3097 C CD1 . TYR B 1 173 ? -1.594 -8.180 28.874 1.00 13.69 ? 173 TYR B CD1 1 ATOM 3098 C CD2 . TYR B 1 173 ? -0.860 -9.981 30.236 1.00 14.63 ? 173 TYR B CD2 1 ATOM 3099 C CE1 . TYR B 1 173 ? -0.344 -8.103 28.288 1.00 15.27 ? 173 TYR B CE1 1 ATOM 3100 C CE2 . TYR B 1 173 ? 0.382 -9.907 29.669 1.00 16.68 ? 173 TYR B CE2 1 ATOM 3101 C CZ . TYR B 1 173 ? 0.642 -8.972 28.700 1.00 17.02 ? 173 TYR B CZ 1 ATOM 3102 O OH . TYR B 1 173 ? 1.903 -8.919 28.149 1.00 20.03 ? 173 TYR B OH 1 ATOM 3103 N N . GLN B 1 174 ? -4.407 -11.762 28.968 1.00 13.76 ? 174 GLN B N 1 ATOM 3104 C CA . GLN B 1 174 ? -4.171 -12.958 28.169 1.00 16.33 ? 174 GLN B CA 1 ATOM 3105 C C . GLN B 1 174 ? -5.240 -13.259 27.119 1.00 16.82 ? 174 GLN B C 1 ATOM 3106 O O . GLN B 1 174 ? -5.090 -14.225 26.372 1.00 19.02 ? 174 GLN B O 1 ATOM 3107 C CB . GLN B 1 174 ? -4.041 -14.164 29.096 1.00 18.55 ? 174 GLN B CB 1 ATOM 3108 C CG . GLN B 1 174 ? -2.808 -14.142 29.962 1.00 21.92 ? 174 GLN B CG 1 ATOM 3109 C CD . GLN B 1 174 ? -2.927 -15.055 31.172 1.00 26.02 ? 174 GLN B CD 1 ATOM 3110 O OE1 . GLN B 1 174 ? -3.951 -15.716 31.379 1.00 27.44 ? 174 GLN B OE1 1 ATOM 3111 N NE2 . GLN B 1 174 ? -1.878 -15.088 31.982 1.00 27.71 ? 174 GLN B NE2 1 ATOM 3112 N N . GLY B 1 175 ? -6.316 -12.478 27.073 1.00 15.56 ? 175 GLY B N 1 ATOM 3113 C CA . GLY B 1 175 ? -7.338 -12.649 26.052 1.00 16.38 ? 175 GLY B CA 1 ATOM 3114 C C . GLY B 1 175 ? -8.547 -13.473 26.473 1.00 16.46 ? 175 GLY B C 1 ATOM 3115 O O . GLY B 1 175 ? -9.355 -13.863 25.638 1.00 17.23 ? 175 GLY B O 1 ATOM 3116 N N . THR B 1 176 ? -8.688 -13.718 27.772 1.00 16.29 ? 176 THR B N 1 ATOM 3117 C CA . THR B 1 176 ? -9.825 -14.467 28.306 1.00 16.97 ? 176 THR B CA 1 ATOM 3118 C C . THR B 1 176 ? -10.505 -13.718 29.462 1.00 16.25 ? 176 THR B C 1 ATOM 3119 O O . THR B 1 176 ? -10.633 -14.221 30.577 1.00 16.59 ? 176 THR B O 1 ATOM 3120 C CB . THR B 1 176 ? -9.396 -15.881 28.749 1.00 20.02 ? 176 THR B CB 1 ATOM 3121 O OG1 . THR B 1 176 ? -8.278 -15.803 29.647 1.00 21.18 ? 176 THR B OG1 1 ATOM 3122 C CG2 . THR B 1 176 ? -9.011 -16.689 27.537 1.00 21.20 ? 176 THR B CG2 1 ATOM 3123 N N . PRO B 1 177 ? -10.957 -12.495 29.192 1.00 14.55 ? 177 PRO B N 1 ATOM 3124 C CA . PRO B 1 177 ? -11.614 -11.712 30.244 1.00 14.80 ? 177 PRO B CA 1 ATOM 3125 C C . PRO B 1 177 ? -12.919 -12.324 30.730 1.00 16.67 ? 177 PRO B C 1 ATOM 3126 O O . PRO B 1 177 ? -13.645 -12.992 29.989 1.00 17.68 ? 177 PRO B O 1 ATOM 3127 C CB . PRO B 1 177 ? -11.889 -10.378 29.563 1.00 14.88 ? 177 PRO B CB 1 ATOM 3128 C CG . PRO B 1 177 ? -12.036 -10.736 28.100 1.00 15.01 ? 177 PRO B CG 1 ATOM 3129 C CD . PRO B 1 177 ? -11.033 -11.832 27.876 1.00 14.65 ? 177 PRO B CD 1 ATOM 3130 N N . LEU B 1 178 ? -13.198 -12.094 32.003 1.00 18.14 ? 178 LEU B N 1 ATOM 3131 C CA . LEU B 1 178 ? -14.506 -12.387 32.563 1.00 19.77 ? 178 LEU B CA 1 ATOM 3132 C C . LEU B 1 178 ? -15.540 -11.479 31.904 1.00 18.90 ? 178 LEU B C 1 ATOM 3133 O O . LEU B 1 178 ? -15.260 -10.334 31.631 1.00 17.06 ? 178 LEU B O 1 ATOM 3134 C CB . LEU B 1 178 ? -14.472 -12.129 34.067 1.00 23.22 ? 178 LEU B CB 1 ATOM 3135 C CG . LEU B 1 178 ? -13.791 -13.208 34.911 1.00 26.20 ? 178 LEU B CG 1 ATOM 3136 C CD1 . LEU B 1 178 ? -13.721 -12.749 36.352 1.00 27.13 ? 178 LEU B CD1 1 ATOM 3137 C CD2 . LEU B 1 178 ? -14.515 -14.533 34.818 1.00 27.42 ? 178 LEU B CD2 1 ATOM 3138 N N . PRO B 1 179 ? -16.743 -11.988 31.626 1.00 19.21 ? 179 PRO B N 1 ATOM 3139 C CA . PRO B 1 179 ? -17.790 -11.116 31.075 1.00 18.70 ? 179 PRO B CA 1 ATOM 3140 C C . PRO B 1 179 ? -17.943 -9.831 31.898 1.00 15.45 ? 179 PRO B C 1 ATOM 3141 O O . PRO B 1 179 ? -17.886 -9.872 33.122 1.00 15.40 ? 179 PRO B O 1 ATOM 3142 C CB . PRO B 1 179 ? -19.050 -11.982 31.167 1.00 20.88 ? 179 PRO B CB 1 ATOM 3143 C CG . PRO B 1 179 ? -18.549 -13.378 31.090 1.00 22.07 ? 179 PRO B CG 1 ATOM 3144 C CD . PRO B 1 179 ? -17.186 -13.387 31.739 1.00 21.08 ? 179 PRO B CD 1 ATOM 3145 N N . ALA B 1 180 ? -18.174 -8.718 31.216 1.00 12.38 ? 180 ALA B N 1 ATOM 3146 C CA . ALA B 1 180 ? -18.172 -7.386 31.835 1.00 10.00 ? 180 ALA B CA 1 ATOM 3147 C C . ALA B 1 180 ? -19.536 -6.730 31.715 1.00 11.66 ? 180 ALA B C 1 ATOM 3148 O O . ALA B 1 180 ? -20.203 -6.867 30.695 1.00 14.92 ? 180 ALA B O 1 ATOM 3149 C CB . ALA B 1 180 ? -17.096 -6.500 31.171 1.00 9.34 ? 180 ALA B CB 1 ATOM 3150 N N . ASN B 1 181 ? -19.931 -5.989 32.745 1.00 9.92 ? 181 ASN B N 1 ATOM 3151 C CA . ASN B 1 181 ? -21.311 -5.533 32.844 1.00 9.86 ? 181 ASN B CA 1 ATOM 3152 C C . ASN B 1 181 ? -21.566 -4.062 32.544 1.00 10.51 ? 181 ASN B C 1 ATOM 3153 O O . ASN B 1 181 ? -22.719 -3.677 32.378 1.00 14.60 ? 181 ASN B O 1 ATOM 3154 C CB . ASN B 1 181 ? -21.933 -5.938 34.197 1.00 11.02 ? 181 ASN B CB 1 ATOM 3155 C CG . ASN B 1 181 ? -21.159 -5.410 35.415 1.00 12.68 ? 181 ASN B CG 1 ATOM 3156 O OD1 . ASN B 1 181 ? -20.075 -4.847 35.313 1.00 11.86 ? 181 ASN B OD1 1 ATOM 3157 N ND2 . ASN B 1 181 ? -21.714 -5.644 36.575 1.00 14.61 ? 181 ASN B ND2 1 ATOM 3158 N N . ILE B 1 182 ? -20.527 -3.235 32.458 1.00 7.98 ? 182 ILE B N 1 ATOM 3159 C CA . ILE B 1 182 ? -20.747 -1.847 32.048 1.00 7.64 ? 182 ILE B CA 1 ATOM 3160 C C . ILE B 1 182 ? -20.534 -1.720 30.541 1.00 7.18 ? 182 ILE B C 1 ATOM 3161 O O . ILE B 1 182 ? -21.403 -1.195 29.842 1.00 8.32 ? 182 ILE B O 1 ATOM 3162 C CB . ILE B 1 182 ? -19.867 -0.846 32.819 1.00 7.60 ? 182 ILE B CB 1 ATOM 3163 C CG1 . ILE B 1 182 ? -20.102 -0.985 34.326 1.00 8.44 ? 182 ILE B CG1 1 ATOM 3164 C CG2 . ILE B 1 182 ? -20.158 0.582 32.379 1.00 8.34 ? 182 ILE B CG2 1 ATOM 3165 C CD1 . ILE B 1 182 ? -19.188 -0.123 35.180 1.00 8.63 ? 182 ILE B CD1 1 ATOM 3166 N N . LEU B 1 183 ? -19.376 -2.188 30.061 1.00 6.75 ? 183 LEU B N 1 ATOM 3167 C CA . LEU B 1 183 ? -19.042 -2.211 28.636 1.00 6.32 ? 183 LEU B CA 1 ATOM 3168 C C . LEU B 1 183 ? -18.366 -3.533 28.340 1.00 6.27 ? 183 LEU B C 1 ATOM 3169 O O . LEU B 1 183 ? -17.538 -4.005 29.112 1.00 7.02 ? 183 LEU B O 1 ATOM 3170 C CB . LEU B 1 183 ? -18.089 -1.075 28.242 1.00 6.46 ? 183 LEU B CB 1 ATOM 3171 C CG . LEU B 1 183 ? -18.643 0.325 28.412 1.00 7.96 ? 183 LEU B CG 1 ATOM 3172 C CD1 . LEU B 1 183 ? -17.489 1.336 28.341 1.00 9.00 ? 183 LEU B CD1 1 ATOM 3173 C CD2 . LEU B 1 183 ? -19.724 0.641 27.388 1.00 9.56 ? 183 LEU B CD2 1 ATOM 3174 N N . ASP B 1 184 ? -18.714 -4.131 27.212 1.00 6.71 ? 184 ASP B N 1 ATOM 3175 C CA . ASP B 1 184 ? -18.171 -5.440 26.846 1.00 7.92 ? 184 ASP B CA 1 ATOM 3176 C C . ASP B 1 184 ? -17.935 -5.491 25.348 1.00 7.55 ? 184 ASP B C 1 ATOM 3177 O O . ASP B 1 184 ? -18.852 -5.338 24.555 1.00 8.35 ? 184 ASP B O 1 ATOM 3178 C CB . ASP B 1 184 ? -19.143 -6.545 27.268 1.00 11.14 ? 184 ASP B CB 1 ATOM 3179 C CG . ASP B 1 184 ? -18.530 -7.921 27.147 1.00 14.19 ? 184 ASP B CG 1 ATOM 3180 O OD1 . ASP B 1 184 ? -18.209 -8.312 26.022 1.00 13.82 ? 184 ASP B OD1 1 ATOM 3181 O OD2 . ASP B 1 184 ? -18.329 -8.605 28.172 1.00 17.64 ? 184 ASP B OD2 1 ATOM 3182 N N . TRP B 1 185 ? -16.686 -5.732 24.964 1.00 6.83 ? 185 TRP B N 1 ATOM 3183 C CA . TRP B 1 185 ? -16.283 -5.757 23.560 1.00 6.86 ? 185 TRP B CA 1 ATOM 3184 C C . TRP B 1 185 ? -17.058 -6.780 22.715 1.00 8.37 ? 185 TRP B C 1 ATOM 3185 O O . TRP B 1 185 ? -17.194 -6.608 21.505 1.00 8.22 ? 185 TRP B O 1 ATOM 3186 C CB . TRP B 1 185 ? -14.804 -6.078 23.478 1.00 7.71 ? 185 TRP B CB 1 ATOM 3187 C CG . TRP B 1 185 ? -14.109 -5.645 22.246 1.00 7.92 ? 185 TRP B CG 1 ATOM 3188 C CD1 . TRP B 1 185 ? -13.511 -6.442 21.316 1.00 8.27 ? 185 TRP B CD1 1 ATOM 3189 C CD2 . TRP B 1 185 ? -13.924 -4.301 21.807 1.00 7.59 ? 185 TRP B CD2 1 ATOM 3190 N NE1 . TRP B 1 185 ? -12.949 -5.671 20.335 1.00 9.14 ? 185 TRP B NE1 1 ATOM 3191 C CE2 . TRP B 1 185 ? -13.190 -4.350 20.602 1.00 8.06 ? 185 TRP B CE2 1 ATOM 3192 C CE3 . TRP B 1 185 ? -14.288 -3.055 22.323 1.00 8.27 ? 185 TRP B CE3 1 ATOM 3193 C CZ2 . TRP B 1 185 ? -12.835 -3.198 19.890 1.00 8.36 ? 185 TRP B CZ2 1 ATOM 3194 C CZ3 . TRP B 1 185 ? -13.916 -1.903 21.618 1.00 9.35 ? 185 TRP B CZ3 1 ATOM 3195 C CH2 . TRP B 1 185 ? -13.201 -1.985 20.415 1.00 9.21 ? 185 TRP B CH2 1 ATOM 3196 N N A GLN B 1 186 ? -17.559 -7.832 23.355 0.52 8.56 ? 186 GLN B N 1 ATOM 3197 N N B GLN B 1 186 ? -17.548 -7.845 23.351 0.48 8.48 ? 186 GLN B N 1 ATOM 3198 C CA A GLN B 1 186 ? -18.274 -8.891 22.649 0.52 9.93 ? 186 GLN B CA 1 ATOM 3199 C CA B GLN B 1 186 ? -18.300 -8.893 22.652 0.48 9.66 ? 186 GLN B CA 1 ATOM 3200 C C A GLN B 1 186 ? -19.780 -8.612 22.544 0.52 10.37 ? 186 GLN B C 1 ATOM 3201 C C B GLN B 1 186 ? -19.761 -8.531 22.425 0.48 10.16 ? 186 GLN B C 1 ATOM 3202 O O A GLN B 1 186 ? -20.523 -9.395 21.958 0.52 10.54 ? 186 GLN B O 1 ATOM 3203 O O B GLN B 1 186 ? -20.466 -9.203 21.671 0.48 10.07 ? 186 GLN B O 1 ATOM 3204 C CB A GLN B 1 186 ? -18.001 -10.250 23.305 0.52 12.22 ? 186 GLN B CB 1 ATOM 3205 C CB B GLN B 1 186 ? -18.254 -10.219 23.411 0.48 11.67 ? 186 GLN B CB 1 ATOM 3206 C CG A GLN B 1 186 ? -16.511 -10.614 23.319 0.52 13.94 ? 186 GLN B CG 1 ATOM 3207 C CG B GLN B 1 186 ? -17.103 -11.114 23.033 0.48 13.03 ? 186 GLN B CG 1 ATOM 3208 C CD A GLN B 1 186 ? -16.147 -11.691 24.324 0.52 16.35 ? 186 GLN B CD 1 ATOM 3209 C CD B GLN B 1 186 ? -15.785 -10.638 23.590 0.48 14.40 ? 186 GLN B CD 1 ATOM 3210 O OE1 A GLN B 1 186 ? -15.261 -11.501 25.167 0.52 17.44 ? 186 GLN B OE1 1 ATOM 3211 O OE1 B GLN B 1 186 ? -15.689 -10.281 24.761 0.48 14.69 ? 186 GLN B OE1 1 ATOM 3212 N NE2 A GLN B 1 186 ? -16.801 -12.837 24.222 0.52 17.05 ? 186 GLN B NE2 1 ATOM 3213 N NE2 B GLN B 1 186 ? -14.755 -10.643 22.756 0.48 15.67 ? 186 GLN B NE2 1 ATOM 3214 N N . ALA B 1 187 ? -20.217 -7.481 23.090 1.00 10.16 ? 187 ALA B N 1 ATOM 3215 C CA . ALA B 1 187 ? -21.612 -7.045 22.979 1.00 10.90 ? 187 ALA B CA 1 ATOM 3216 C C . ALA B 1 187 ? -21.662 -5.521 23.182 1.00 10.30 ? 187 ALA B C 1 ATOM 3217 O O . ALA B 1 187 ? -22.221 -5.002 24.160 1.00 11.25 ? 187 ALA B O 1 ATOM 3218 C CB . ALA B 1 187 ? -22.483 -7.769 24.000 1.00 12.25 ? 187 ALA B CB 1 ATOM 3219 N N . LEU B 1 188 ? -21.027 -4.802 22.267 1.00 9.64 ? 188 LEU B N 1 ATOM 3220 C CA . LEU B 1 188 ? -20.775 -3.386 22.440 1.00 8.94 ? 188 LEU B CA 1 ATOM 3221 C C . LEU B 1 188 ? -21.784 -2.546 21.664 1.00 9.25 ? 188 LEU B C 1 ATOM 3222 O O . LEU B 1 188 ? -22.038 -2.799 20.494 1.00 10.50 ? 188 LEU B O 1 ATOM 3223 C CB . LEU B 1 188 ? -19.364 -3.058 21.962 1.00 8.29 ? 188 LEU B CB 1 ATOM 3224 C CG . LEU B 1 188 ? -18.815 -1.690 22.372 1.00 9.11 ? 188 LEU B CG 1 ATOM 3225 C CD1 . LEU B 1 188 ? -18.459 -1.689 23.852 1.00 9.75 ? 188 LEU B CD1 1 ATOM 3226 C CD2 . LEU B 1 188 ? -17.592 -1.353 21.524 1.00 10.07 ? 188 LEU B CD2 1 ATOM 3227 N N . ASN B 1 189 ? -22.375 -1.572 22.346 1.00 8.65 ? 189 ASN B N 1 ATOM 3228 C CA . ASN B 1 189 ? -23.263 -0.589 21.741 1.00 9.64 ? 189 ASN B CA 1 ATOM 3229 C C . ASN B 1 189 ? -22.456 0.682 21.500 1.00 8.86 ? 189 ASN B C 1 ATOM 3230 O O . ASN B 1 189 ? -22.081 1.389 22.433 1.00 10.75 ? 189 ASN B O 1 ATOM 3231 C CB . ASN B 1 189 ? -24.449 -0.322 22.677 1.00 11.98 ? 189 ASN B CB 1 ATOM 3232 C CG . ASN B 1 189 ? -25.516 0.545 22.041 1.00 16.26 ? 189 ASN B CG 1 ATOM 3233 O OD1 . ASN B 1 189 ? -25.417 0.924 20.874 1.00 19.96 ? 189 ASN B OD1 1 ATOM 3234 N ND2 . ASN B 1 189 ? -26.546 0.857 22.805 1.00 16.73 ? 189 ASN B ND2 1 ATOM 3235 N N . TYR B 1 190 ? -22.140 0.947 20.248 1.00 8.95 ? 190 TYR B N 1 ATOM 3236 C CA . TYR B 1 190 ? -21.271 2.054 19.916 1.00 9.80 ? 190 TYR B CA 1 ATOM 3237 C C . TYR B 1 190 ? -21.841 2.829 18.731 1.00 9.68 ? 190 TYR B C 1 ATOM 3238 O O . TYR B 1 190 ? -22.662 2.312 17.958 1.00 10.92 ? 190 TYR B O 1 ATOM 3239 C CB . TYR B 1 190 ? -19.854 1.547 19.584 1.00 10.30 ? 190 TYR B CB 1 ATOM 3240 C CG . TYR B 1 190 ? -19.786 0.744 18.322 1.00 11.43 ? 190 TYR B CG 1 ATOM 3241 C CD1 . TYR B 1 190 ? -19.986 -0.627 18.328 1.00 12.20 ? 190 TYR B CD1 1 ATOM 3242 C CD2 . TYR B 1 190 ? -19.532 1.355 17.109 1.00 12.32 ? 190 TYR B CD2 1 ATOM 3243 C CE1 . TYR B 1 190 ? -19.957 -1.342 17.171 1.00 14.09 ? 190 TYR B CE1 1 ATOM 3244 C CE2 . TYR B 1 190 ? -19.497 0.638 15.940 1.00 14.27 ? 190 TYR B CE2 1 ATOM 3245 C CZ . TYR B 1 190 ? -19.705 -0.715 15.977 1.00 15.78 ? 190 TYR B CZ 1 ATOM 3246 O OH . TYR B 1 190 ? -19.669 -1.461 14.815 1.00 19.00 ? 190 TYR B OH 1 ATOM 3247 N N . GLU B 1 191 ? -21.340 4.043 18.562 1.00 9.16 ? 191 GLU B N 1 ATOM 3248 C CA . GLU B 1 191 ? -21.661 4.883 17.413 1.00 10.24 ? 191 GLU B CA 1 ATOM 3249 C C . GLU B 1 191 ? -20.382 5.524 16.918 1.00 8.89 ? 191 GLU B C 1 ATOM 3250 O O . GLU B 1 191 ? -19.714 6.233 17.660 1.00 8.92 ? 191 GLU B O 1 ATOM 3251 C CB . GLU B 1 191 ? -22.674 5.977 17.782 1.00 14.14 ? 191 GLU B CB 1 ATOM 3252 C CG . GLU B 1 191 ? -24.018 5.458 18.301 1.00 19.91 ? 191 GLU B CG 1 ATOM 3253 C CD . GLU B 1 191 ? -24.883 6.543 18.940 1.00 24.62 ? 191 GLU B CD 1 ATOM 3254 O OE1 . GLU B 1 191 ? -24.332 7.544 19.464 1.00 26.05 ? 191 GLU B OE1 1 ATOM 3255 O OE2 . GLU B 1 191 ? -26.122 6.373 18.930 1.00 26.88 ? 191 GLU B OE2 1 ATOM 3256 N N . ILE B 1 192 ? -20.023 5.255 15.669 1.00 8.12 ? 192 ILE B N 1 ATOM 3257 C CA . ILE B 1 192 ? -18.886 5.916 15.035 1.00 8.37 ? 192 ILE B CA 1 ATOM 3258 C C . ILE B 1 192 ? -19.308 7.291 14.522 1.00 8.06 ? 192 ILE B C 1 ATOM 3259 O O . ILE B 1 192 ? -20.354 7.432 13.876 1.00 9.68 ? 192 ILE B O 1 ATOM 3260 C CB . ILE B 1 192 ? -18.317 5.070 13.887 1.00 9.23 ? 192 ILE B CB 1 ATOM 3261 C CG1 . ILE B 1 192 ? -17.529 3.882 14.465 1.00 10.94 ? 192 ILE B CG1 1 ATOM 3262 C CG2 . ILE B 1 192 ? -17.431 5.900 12.956 1.00 9.14 ? 192 ILE B CG2 1 ATOM 3263 C CD1 . ILE B 1 192 ? -17.161 2.853 13.422 1.00 12.26 ? 192 ILE B CD1 1 ATOM 3264 N N . ARG B 1 193 ? -18.483 8.295 14.813 1.00 7.97 ? 193 ARG B N 1 ATOM 3265 C CA . ARG B 1 193 ? -18.670 9.657 14.301 1.00 9.08 ? 193 ARG B CA 1 ATOM 3266 C C . ARG B 1 193 ? -17.384 10.064 13.572 1.00 8.49 ? 193 ARG B C 1 ATOM 3267 O O . ARG B 1 193 ? -16.291 9.958 14.107 1.00 9.43 ? 193 ARG B O 1 ATOM 3268 C CB . ARG B 1 193 ? -18.994 10.625 15.447 1.00 13.34 ? 193 ARG B CB 1 ATOM 3269 C CG . ARG B 1 193 ? -20.341 10.348 16.148 1.00 17.52 ? 193 ARG B CG 1 ATOM 3270 C CD . ARG B 1 193 ? -21.524 10.583 15.220 1.00 22.76 ? 193 ARG B CD 1 ATOM 3271 N NE . ARG B 1 193 ? -22.801 10.133 15.785 1.00 26.72 ? 193 ARG B NE 1 ATOM 3272 C CZ . ARG B 1 193 ? -23.413 8.990 15.468 1.00 28.55 ? 193 ARG B CZ 1 ATOM 3273 N NH1 . ARG B 1 193 ? -22.879 8.148 14.586 1.00 28.78 ? 193 ARG B NH1 1 ATOM 3274 N NH2 . ARG B 1 193 ? -24.564 8.682 16.041 1.00 29.45 ? 193 ARG B NH2 1 ATOM 3275 N N . GLY B 1 194 ? -17.501 10.481 12.325 1.00 8.95 ? 194 GLY B N 1 ATOM 3276 C CA . GLY B 1 194 ? -16.326 10.863 11.580 1.00 8.45 ? 194 GLY B CA 1 ATOM 3277 C C . GLY B 1 194 ? -15.545 9.669 11.100 1.00 8.77 ? 194 GLY B C 1 ATOM 3278 O O . GLY B 1 194 ? -16.086 8.573 10.854 1.00 10.16 ? 194 GLY B O 1 ATOM 3279 N N . TYR B 1 195 ? -14.244 9.888 10.982 1.00 7.56 ? 195 TYR B N 1 ATOM 3280 C CA . TYR B 1 195 ? -13.344 8.921 10.368 1.00 6.88 ? 195 TYR B CA 1 ATOM 3281 C C . TYR B 1 195 ? -12.782 7.948 11.403 1.00 6.97 ? 195 TYR B C 1 ATOM 3282 O O . TYR B 1 195 ? -11.759 8.204 12.022 1.00 7.66 ? 195 TYR B O 1 ATOM 3283 C CB . TYR B 1 195 ? -12.223 9.671 9.676 1.00 6.89 ? 195 TYR B CB 1 ATOM 3284 C CG . TYR B 1 195 ? -11.314 8.850 8.777 1.00 6.71 ? 195 TYR B CG 1 ATOM 3285 C CD1 . TYR B 1 195 ? -11.761 7.719 8.083 1.00 6.84 ? 195 TYR B CD1 1 ATOM 3286 C CD2 . TYR B 1 195 ? -10.001 9.227 8.624 1.00 7.42 ? 195 TYR B CD2 1 ATOM 3287 C CE1 . TYR B 1 195 ? -10.893 6.990 7.253 1.00 6.35 ? 195 TYR B CE1 1 ATOM 3288 C CE2 . TYR B 1 195 ? -9.133 8.530 7.809 1.00 6.90 ? 195 TYR B CE2 1 ATOM 3289 C CZ . TYR B 1 195 ? -9.576 7.400 7.127 1.00 6.25 ? 195 TYR B CZ 1 ATOM 3290 O OH . TYR B 1 195 ? -8.707 6.714 6.319 1.00 7.66 ? 195 TYR B OH 1 ATOM 3291 N N . VAL B 1 196 ? -13.501 6.847 11.606 1.00 6.22 ? 196 VAL B N 1 ATOM 3292 C CA . VAL B 1 196 ? -13.054 5.743 12.439 1.00 6.66 ? 196 VAL B CA 1 ATOM 3293 C C . VAL B 1 196 ? -13.395 4.483 11.663 1.00 6.61 ? 196 VAL B C 1 ATOM 3294 O O . VAL B 1 196 ? -14.510 4.347 11.134 1.00 7.78 ? 196 VAL B O 1 ATOM 3295 C CB . VAL B 1 196 ? -13.764 5.720 13.813 1.00 7.00 ? 196 VAL B CB 1 ATOM 3296 C CG1 . VAL B 1 196 ? -13.164 4.615 14.700 1.00 7.15 ? 196 VAL B CG1 1 ATOM 3297 C CG2 . VAL B 1 196 ? -13.688 7.072 14.489 1.00 7.54 ? 196 VAL B CG2 1 ATOM 3298 N N . ILE B 1 197 ? -12.430 3.578 11.564 1.00 6.71 ? 197 ILE B N 1 ATOM 3299 C CA . ILE B 1 197 ? -12.570 2.373 10.754 1.00 5.77 ? 197 ILE B CA 1 ATOM 3300 C C . ILE B 1 197 ? -12.383 1.145 11.626 1.00 6.34 ? 197 ILE B C 1 ATOM 3301 O O . ILE B 1 197 ? -11.476 1.076 12.438 1.00 7.81 ? 197 ILE B O 1 ATOM 3302 C CB . ILE B 1 197 ? -11.498 2.351 9.614 1.00 6.67 ? 197 ILE B CB 1 ATOM 3303 C CG1 . ILE B 1 197 ? -11.576 3.621 8.747 1.00 6.91 ? 197 ILE B CG1 1 ATOM 3304 C CG2 . ILE B 1 197 ? -11.623 1.094 8.777 1.00 8.52 ? 197 ILE B CG2 1 ATOM 3305 C CD1 . ILE B 1 197 ? -12.847 3.816 7.948 1.00 8.00 ? 197 ILE B CD1 1 ATOM 3306 N N . ILE B 1 198 ? -13.245 0.151 11.454 1.00 6.26 ? 198 ILE B N 1 ATOM 3307 C CA . ILE B 1 198 ? -13.076 -1.120 12.157 1.00 6.77 ? 198 ILE B CA 1 ATOM 3308 C C . ILE B 1 198 ? -12.234 -2.057 11.303 1.00 6.86 ? 198 ILE B C 1 ATOM 3309 O O . ILE B 1 198 ? -12.538 -2.249 10.135 1.00 8.51 ? 198 ILE B O 1 ATOM 3310 C CB . ILE B 1 198 ? -14.430 -1.760 12.468 1.00 7.81 ? 198 ILE B CB 1 ATOM 3311 C CG1 . ILE B 1 198 ? -15.234 -0.856 13.413 1.00 9.85 ? 198 ILE B CG1 1 ATOM 3312 C CG2 . ILE B 1 198 ? -14.254 -3.158 13.100 1.00 8.75 ? 198 ILE B CG2 1 ATOM 3313 C CD1 . ILE B 1 198 ? -16.663 -1.304 13.608 1.00 12.26 ? 198 ILE B CD1 1 ATOM 3314 N N . LYS B 1 199 ? -11.183 -2.628 11.894 1.00 7.25 ? 199 LYS B N 1 ATOM 3315 C CA . LYS B 1 199 ? -10.257 -3.542 11.213 1.00 6.91 ? 199 LYS B CA 1 ATOM 3316 C C . LYS B 1 199 ? -9.921 -4.705 12.125 1.00 7.41 ? 199 LYS B C 1 ATOM 3317 O O . LYS B 1 199 ? -10.092 -4.617 13.341 1.00 6.90 ? 199 LYS B O 1 ATOM 3318 C CB . LYS B 1 199 ? -8.935 -2.804 10.893 1.00 7.90 ? 199 LYS B CB 1 ATOM 3319 C CG . LYS B 1 199 ? -9.028 -1.870 9.690 1.00 10.60 ? 199 LYS B CG 1 ATOM 3320 C CD . LYS B 1 199 ? -9.141 -2.664 8.413 1.00 12.64 ? 199 LYS B CD 1 ATOM 3321 C CE . LYS B 1 199 ? -9.312 -1.823 7.152 1.00 14.98 ? 199 LYS B CE 1 ATOM 3322 N NZ . LYS B 1 199 ? -9.700 -2.705 5.995 1.00 18.14 ? 199 LYS B NZ 1 ATOM 3323 N N . PRO B 1 200 ? -9.413 -5.814 11.559 1.00 7.66 ? 200 PRO B N 1 ATOM 3324 C CA . PRO B 1 200 ? -8.899 -6.885 12.426 1.00 8.12 ? 200 PRO B CA 1 ATOM 3325 C C . PRO B 1 200 ? -7.759 -6.392 13.314 1.00 7.96 ? 200 PRO B C 1 ATOM 3326 O O . PRO B 1 200 ? -6.988 -5.518 12.913 1.00 9.13 ? 200 PRO B O 1 ATOM 3327 C CB . PRO B 1 200 ? -8.366 -7.907 11.426 1.00 9.17 ? 200 PRO B CB 1 ATOM 3328 C CG . PRO B 1 200 ? -9.148 -7.644 10.201 1.00 10.96 ? 200 PRO B CG 1 ATOM 3329 C CD . PRO B 1 200 ? -9.321 -6.174 10.134 1.00 9.75 ? 200 PRO B CD 1 ATOM 3330 N N . LEU B 1 201 ? -7.672 -6.960 14.510 1.00 8.86 ? 201 LEU B N 1 ATOM 3331 C CA . LEU B 1 201 ? -6.567 -6.730 15.424 1.00 10.40 ? 201 LEU B CA 1 ATOM 3332 C C . LEU B 1 201 ? -5.413 -7.592 14.965 1.00 11.06 ? 201 LEU B C 1 ATOM 3333 O O . LEU B 1 201 ? -5.535 -8.820 14.998 1.00 14.04 ? 201 LEU B O 1 ATOM 3334 C CB . LEU B 1 201 ? -6.998 -7.147 16.833 1.00 11.72 ? 201 LEU B CB 1 ATOM 3335 C CG . LEU B 1 201 ? -5.890 -7.350 17.860 1.00 14.12 ? 201 LEU B CG 1 ATOM 3336 C CD1 . LEU B 1 201 ? -5.205 -6.056 18.122 1.00 12.98 ? 201 LEU B CD1 1 ATOM 3337 C CD2 . LEU B 1 201 ? -6.506 -7.896 19.126 1.00 15.95 ? 201 LEU B CD2 1 ATOM 3338 N N . VAL B 1 202 ? -4.314 -6.982 14.510 1.00 9.07 ? 202 VAL B N 1 ATOM 3339 C CA . VAL B 1 202 ? -3.206 -7.771 13.950 1.00 9.64 ? 202 VAL B CA 1 ATOM 3340 C C . VAL B 1 202 ? -1.951 -7.724 14.809 1.00 10.93 ? 202 VAL B C 1 ATOM 3341 O O . VAL B 1 202 ? -0.955 -8.395 14.497 1.00 10.89 ? 202 VAL B O 1 ATOM 3342 C CB . VAL B 1 202 ? -2.825 -7.317 12.514 1.00 10.31 ? 202 VAL B CB 1 ATOM 3343 C CG1 . VAL B 1 202 ? -4.023 -7.388 11.595 1.00 11.68 ? 202 VAL B CG1 1 ATOM 3344 C CG2 . VAL B 1 202 ? -2.211 -5.911 12.503 1.00 10.41 ? 202 VAL B CG2 1 ATOM 3345 N N . TRP B 1 203 ? -2.004 -6.953 15.892 1.00 11.14 ? 203 TRP B N 1 ATOM 3346 C CA . TRP B 1 203 ? -0.828 -6.698 16.708 1.00 12.64 ? 203 TRP B CA 1 ATOM 3347 C C . TRP B 1 203 ? -0.844 -7.360 18.076 1.00 18.24 ? 203 TRP B C 1 ATOM 3348 O O . TRP B 1 203 ? 0.076 -7.150 18.852 1.00 20.48 ? 203 TRP B O 1 ATOM 3349 C CB . TRP B 1 203 ? -0.567 -5.197 16.833 1.00 10.20 ? 203 TRP B CB 1 ATOM 3350 C CG . TRP B 1 203 ? -1.769 -4.349 17.051 1.00 9.17 ? 203 TRP B CG 1 ATOM 3351 C CD1 . TRP B 1 203 ? -2.509 -3.746 16.092 1.00 8.04 ? 203 TRP B CD1 1 ATOM 3352 C CD2 . TRP B 1 203 ? -2.359 -3.968 18.306 1.00 8.09 ? 203 TRP B CD2 1 ATOM 3353 N NE1 . TRP B 1 203 ? -3.515 -3.007 16.652 1.00 8.85 ? 203 TRP B NE1 1 ATOM 3354 C CE2 . TRP B 1 203 ? -3.452 -3.126 18.012 1.00 7.37 ? 203 TRP B CE2 1 ATOM 3355 C CE3 . TRP B 1 203 ? -2.069 -4.250 19.641 1.00 9.07 ? 203 TRP B CE3 1 ATOM 3356 C CZ2 . TRP B 1 203 ? -4.265 -2.586 18.995 1.00 7.25 ? 203 TRP B CZ2 1 ATOM 3357 C CZ3 . TRP B 1 203 ? -2.872 -3.705 20.613 1.00 9.49 ? 203 TRP B CZ3 1 ATOM 3358 C CH2 . TRP B 1 203 ? -3.948 -2.867 20.288 1.00 8.14 ? 203 TRP B CH2 1 ATOM 3359 N N . VAL B 1 204 ? -1.879 -8.137 18.370 1.00 23.32 ? 204 VAL B N 1 ATOM 3360 C CA . VAL B 1 204 ? -1.869 -9.032 19.536 1.00 30.24 ? 204 VAL B CA 1 ATOM 3361 C C . VAL B 1 204 ? -2.142 -10.464 19.083 1.00 34.82 ? 204 VAL B C 1 ATOM 3362 O O . VAL B 1 204 ? -1.263 -11.127 18.514 1.00 36.39 ? 204 VAL B O 1 ATOM 3363 C CB . VAL B 1 204 ? -2.933 -8.639 20.579 1.00 32.24 ? 204 VAL B CB 1 ATOM 3364 C CG1 . VAL B 1 204 ? -3.006 -9.659 21.712 1.00 33.11 ? 204 VAL B CG1 1 ATOM 3365 C CG2 . VAL B 1 204 ? -2.632 -7.278 21.135 1.00 33.05 ? 204 VAL B CG2 1 ATOM 3366 O OXT . VAL B 1 204 ? -3.260 -10.978 19.248 1.00 36.66 ? 204 VAL B OXT 1 ATOM 3367 N N . HIS C 1 1 ? 11.986 -10.043 -19.342 1.00 14.66 ? 1 HIS C N 1 ATOM 3368 C CA . HIS C 1 1 ? 11.954 -9.949 -17.847 1.00 14.11 ? 1 HIS C CA 1 ATOM 3369 C C . HIS C 1 1 ? 12.962 -10.909 -17.266 1.00 13.08 ? 1 HIS C C 1 ATOM 3370 O O . HIS C 1 1 ? 13.328 -11.904 -17.884 1.00 14.29 ? 1 HIS C O 1 ATOM 3371 C CB . HIS C 1 1 ? 10.574 -10.263 -17.263 1.00 15.53 ? 1 HIS C CB 1 ATOM 3372 C CG . HIS C 1 1 ? 9.477 -9.507 -17.912 1.00 19.18 ? 1 HIS C CG 1 ATOM 3373 N ND1 . HIS C 1 1 ? 9.636 -8.878 -19.126 1.00 21.25 ? 1 HIS C ND1 1 ATOM 3374 C CD2 . HIS C 1 1 ? 8.200 -9.276 -17.529 1.00 20.88 ? 1 HIS C CD2 1 ATOM 3375 C CE1 . HIS C 1 1 ? 8.503 -8.284 -19.461 1.00 21.56 ? 1 HIS C CE1 1 ATOM 3376 N NE2 . HIS C 1 1 ? 7.619 -8.508 -18.507 1.00 21.92 ? 1 HIS C NE2 1 ATOM 3377 N N . THR C 1 2 ? 13.401 -10.609 -16.058 1.00 11.74 ? 2 THR C N 1 ATOM 3378 C CA . THR C 1 2 ? 14.559 -11.240 -15.459 1.00 11.79 ? 2 THR C CA 1 ATOM 3379 C C . THR C 1 2 ? 14.182 -11.747 -14.079 1.00 9.28 ? 2 THR C C 1 ATOM 3380 O O . THR C 1 2 ? 13.469 -11.070 -13.336 1.00 9.06 ? 2 THR C O 1 ATOM 3381 C CB . THR C 1 2 ? 15.694 -10.187 -15.333 1.00 14.77 ? 2 THR C CB 1 ATOM 3382 O OG1 . THR C 1 2 ? 16.048 -9.736 -16.637 1.00 18.35 ? 2 THR C OG1 1 ATOM 3383 C CG2 . THR C 1 2 ? 16.926 -10.749 -14.629 1.00 15.40 ? 2 THR C CG2 1 ATOM 3384 N N . ASP C 1 3 ? 14.685 -12.922 -13.733 1.00 7.86 ? 3 ASP C N 1 ATOM 3385 C CA . ASP C 1 3 ? 14.530 -13.457 -12.383 1.00 7.71 ? 3 ASP C CA 1 ATOM 3386 C C . ASP C 1 3 ? 15.695 -13.004 -11.510 1.00 7.84 ? 3 ASP C C 1 ATOM 3387 O O . ASP C 1 3 ? 16.830 -13.449 -11.676 1.00 8.66 ? 3 ASP C O 1 ATOM 3388 C CB . ASP C 1 3 ? 14.503 -14.974 -12.462 1.00 9.05 ? 3 ASP C CB 1 ATOM 3389 C CG . ASP C 1 3 ? 14.283 -15.646 -11.126 1.00 10.28 ? 3 ASP C CG 1 ATOM 3390 O OD1 . ASP C 1 3 ? 14.191 -14.979 -10.076 1.00 9.36 ? 3 ASP C OD1 1 ATOM 3391 O OD2 . ASP C 1 3 ? 14.189 -16.896 -11.130 1.00 13.80 ? 3 ASP C OD2 1 ATOM 3392 N N . LEU C 1 4 ? 15.419 -12.099 -10.586 1.00 6.75 ? 4 LEU C N 1 ATOM 3393 C CA . LEU C 1 4 ? 16.433 -11.562 -9.704 1.00 5.92 ? 4 LEU C CA 1 ATOM 3394 C C . LEU C 1 4 ? 16.476 -12.260 -8.349 1.00 6.84 ? 4 LEU C C 1 ATOM 3395 O O . LEU C 1 4 ? 17.086 -11.756 -7.408 1.00 6.86 ? 4 LEU C O 1 ATOM 3396 C CB . LEU C 1 4 ? 16.242 -10.053 -9.544 1.00 6.94 ? 4 LEU C CB 1 ATOM 3397 C CG . LEU C 1 4 ? 16.466 -9.197 -10.801 1.00 8.16 ? 4 LEU C CG 1 ATOM 3398 C CD1 . LEU C 1 4 ? 16.205 -7.723 -10.460 1.00 10.18 ? 4 LEU C CD1 1 ATOM 3399 C CD2 . LEU C 1 4 ? 17.889 -9.377 -11.308 1.00 9.66 ? 4 LEU C CD2 1 ATOM 3400 N N . SER C 1 5 ? 15.877 -13.444 -8.263 1.00 7.91 ? 5 SER C N 1 ATOM 3401 C CA . SER C 1 5 ? 15.985 -14.257 -7.048 1.00 9.18 ? 5 SER C CA 1 ATOM 3402 C C . SER C 1 5 ? 17.426 -14.321 -6.575 1.00 8.71 ? 5 SER C C 1 ATOM 3403 O O . SER C 1 5 ? 18.330 -14.616 -7.354 1.00 9.54 ? 5 SER C O 1 ATOM 3404 C CB . SER C 1 5 ? 15.551 -15.704 -7.309 1.00 11.96 ? 5 SER C CB 1 ATOM 3405 O OG . SER C 1 5 ? 14.198 -15.767 -7.602 1.00 14.63 ? 5 SER C OG 1 ATOM 3406 N N . GLY C 1 6 ? 17.648 -14.043 -5.294 1.00 8.49 ? 6 GLY C N 1 ATOM 3407 C CA . GLY C 1 6 ? 18.974 -14.152 -4.733 1.00 8.27 ? 6 GLY C CA 1 ATOM 3408 C C . GLY C 1 6 ? 19.890 -12.993 -5.074 1.00 7.65 ? 6 GLY C C 1 ATOM 3409 O O . GLY C 1 6 ? 21.077 -13.060 -4.715 1.00 8.59 ? 6 GLY C O 1 ATOM 3410 N N . LYS C 1 7 ? 19.342 -11.938 -5.692 1.00 6.73 ? 7 LYS C N 1 ATOM 3411 C CA . LYS C 1 7 ? 20.134 -10.788 -6.106 1.00 6.94 ? 7 LYS C CA 1 ATOM 3412 C C . LYS C 1 7 ? 19.538 -9.470 -5.643 1.00 6.05 ? 7 LYS C C 1 ATOM 3413 O O . LYS C 1 7 ? 18.369 -9.377 -5.299 1.00 7.22 ? 7 LYS C O 1 ATOM 3414 C CB . LYS C 1 7 ? 20.270 -10.752 -7.633 1.00 9.07 ? 7 LYS C CB 1 ATOM 3415 C CG . LYS C 1 7 ? 20.932 -12.000 -8.196 1.00 12.17 ? 7 LYS C CG 1 ATOM 3416 C CD . LYS C 1 7 ? 21.057 -11.985 -9.707 1.00 15.60 ? 7 LYS C CD 1 ATOM 3417 C CE . LYS C 1 7 ? 21.731 -13.277 -10.187 1.00 19.95 ? 7 LYS C CE 1 ATOM 3418 N NZ . LYS C 1 7 ? 23.042 -13.509 -9.507 1.00 23.69 ? 7 LYS C NZ 1 ATOM 3419 N N . VAL C 1 8 ? 20.389 -8.447 -5.597 1.00 5.01 ? 8 VAL C N 1 ATOM 3420 C CA . VAL C 1 8 ? 19.975 -7.091 -5.245 1.00 4.84 ? 8 VAL C CA 1 ATOM 3421 C C . VAL C 1 8 ? 20.434 -6.096 -6.289 1.00 4.97 ? 8 VAL C C 1 ATOM 3422 O O . VAL C 1 8 ? 21.406 -6.328 -7.000 1.00 5.47 ? 8 VAL C O 1 ATOM 3423 C CB . VAL C 1 8 ? 20.579 -6.636 -3.874 1.00 6.81 ? 8 VAL C CB 1 ATOM 3424 C CG1 . VAL C 1 8 ? 19.980 -7.425 -2.715 1.00 8.90 ? 8 VAL C CG1 1 ATOM 3425 C CG2 . VAL C 1 8 ? 22.117 -6.760 -3.903 1.00 7.94 ? 8 VAL C CG2 1 ATOM 3426 N N . PHE C 1 9 ? 19.755 -4.959 -6.357 1.00 4.83 ? 9 PHE C N 1 ATOM 3427 C CA . PHE C 1 9 ? 20.339 -3.770 -6.974 1.00 5.30 ? 9 PHE C CA 1 ATOM 3428 C C . PHE C 1 9 ? 21.205 -3.047 -5.951 1.00 4.72 ? 9 PHE C C 1 ATOM 3429 O O . PHE C 1 9 ? 20.753 -2.781 -4.847 1.00 5.73 ? 9 PHE C O 1 ATOM 3430 C CB . PHE C 1 9 ? 19.270 -2.775 -7.446 1.00 5.85 ? 9 PHE C CB 1 ATOM 3431 C CG . PHE C 1 9 ? 18.428 -3.247 -8.596 1.00 6.87 ? 9 PHE C CG 1 ATOM 3432 C CD1 . PHE C 1 9 ? 18.998 -3.645 -9.790 1.00 8.75 ? 9 PHE C CD1 1 ATOM 3433 C CD2 . PHE C 1 9 ? 17.057 -3.212 -8.506 1.00 7.29 ? 9 PHE C CD2 1 ATOM 3434 C CE1 . PHE C 1 9 ? 18.200 -4.050 -10.854 1.00 9.59 ? 9 PHE C CE1 1 ATOM 3435 C CE2 . PHE C 1 9 ? 16.261 -3.633 -9.568 1.00 7.90 ? 9 PHE C CE2 1 ATOM 3436 C CZ . PHE C 1 9 ? 16.836 -4.044 -10.731 1.00 9.16 ? 9 PHE C CZ 1 ATOM 3437 N N . VAL C 1 10 ? 22.434 -2.725 -6.337 1.00 5.15 ? 10 VAL C N 1 ATOM 3438 C CA . VAL C 1 10 ? 23.336 -1.909 -5.518 1.00 5.21 ? 10 VAL C CA 1 ATOM 3439 C C . VAL C 1 10 ? 23.459 -0.524 -6.142 1.00 5.31 ? 10 VAL C C 1 ATOM 3440 O O . VAL C 1 10 ? 23.863 -0.387 -7.305 1.00 6.03 ? 10 VAL C O 1 ATOM 3441 C CB . VAL C 1 10 ? 24.745 -2.535 -5.410 1.00 6.18 ? 10 VAL C CB 1 ATOM 3442 C CG1 . VAL C 1 10 ? 25.608 -1.734 -4.443 1.00 6.97 ? 10 VAL C CG1 1 ATOM 3443 C CG2 . VAL C 1 10 ? 24.688 -4.002 -5.007 1.00 7.65 ? 10 VAL C CG2 1 ATOM 3444 N N . PHE C 1 11 ? 23.056 0.477 -5.374 1.00 5.31 ? 11 PHE C N 1 ATOM 3445 C CA . PHE C 1 11 ? 23.201 1.886 -5.715 1.00 5.05 ? 11 PHE C CA 1 ATOM 3446 C C . PHE C 1 11 ? 24.435 2.332 -4.927 1.00 5.64 ? 11 PHE C C 1 ATOM 3447 O O . PHE C 1 11 ? 24.339 2.658 -3.752 1.00 5.82 ? 11 PHE C O 1 ATOM 3448 C CB . PHE C 1 11 ? 21.935 2.655 -5.305 1.00 5.40 ? 11 PHE C CB 1 ATOM 3449 C CG . PHE C 1 11 ? 20.691 2.145 -5.981 1.00 5.90 ? 11 PHE C CG 1 ATOM 3450 C CD1 . PHE C 1 11 ? 19.985 1.085 -5.424 1.00 6.86 ? 11 PHE C CD1 1 ATOM 3451 C CD2 . PHE C 1 11 ? 20.247 2.681 -7.176 1.00 7.26 ? 11 PHE C CD2 1 ATOM 3452 C CE1 . PHE C 1 11 ? 18.873 0.579 -6.040 1.00 8.66 ? 11 PHE C CE1 1 ATOM 3453 C CE2 . PHE C 1 11 ? 19.111 2.158 -7.798 1.00 7.57 ? 11 PHE C CE2 1 ATOM 3454 C CZ . PHE C 1 11 ? 18.428 1.119 -7.218 1.00 8.67 ? 11 PHE C CZ 1 ATOM 3455 N N . PRO C 1 12 ? 25.631 2.259 -5.547 1.00 5.87 ? 12 PRO C N 1 ATOM 3456 C CA . PRO C 1 12 ? 26.856 2.295 -4.738 1.00 6.10 ? 12 PRO C CA 1 ATOM 3457 C C . PRO C 1 12 ? 27.363 3.667 -4.320 1.00 6.92 ? 12 PRO C C 1 ATOM 3458 O O . PRO C 1 12 ? 28.343 3.717 -3.582 1.00 8.18 ? 12 PRO C O 1 ATOM 3459 C CB . PRO C 1 12 ? 27.909 1.608 -5.655 1.00 7.21 ? 12 PRO C CB 1 ATOM 3460 C CG . PRO C 1 12 ? 27.114 0.996 -6.810 1.00 7.09 ? 12 PRO C CG 1 ATOM 3461 C CD . PRO C 1 12 ? 25.940 1.923 -6.951 1.00 7.06 ? 12 PRO C CD 1 ATOM 3462 N N . ARG C 1 13 ? 26.716 4.741 -4.757 1.00 7.40 ? 13 ARG C N 1 ATOM 3463 C CA . ARG C 1 13 ? 27.172 6.081 -4.415 1.00 8.51 ? 13 ARG C CA 1 ATOM 3464 C C . ARG C 1 13 ? 26.015 7.055 -4.467 1.00 8.60 ? 13 ARG C C 1 ATOM 3465 O O . ARG C 1 13 ? 24.996 6.798 -5.120 1.00 9.48 ? 13 ARG C O 1 ATOM 3466 C CB . ARG C 1 13 ? 28.225 6.542 -5.419 1.00 10.20 ? 13 ARG C CB 1 ATOM 3467 C CG . ARG C 1 13 ? 27.620 6.671 -6.809 1.00 12.19 ? 13 ARG C CG 1 ATOM 3468 C CD . ARG C 1 13 ? 28.501 7.289 -7.850 1.00 12.95 ? 13 ARG C CD 1 ATOM 3469 N NE . ARG C 1 13 ? 27.735 7.363 -9.095 1.00 12.55 ? 13 ARG C NE 1 ATOM 3470 C CZ . ARG C 1 13 ? 28.245 7.665 -10.271 1.00 14.65 ? 13 ARG C CZ 1 ATOM 3471 N NH1 . ARG C 1 13 ? 29.536 7.926 -10.377 1.00 17.41 ? 13 ARG C NH1 1 ATOM 3472 N NH2 . ARG C 1 13 ? 27.459 7.681 -11.340 1.00 14.24 ? 13 ARG C NH2 1 ATOM 3473 N N . GLU C 1 14 ? 26.207 8.187 -3.816 1.00 8.44 ? 14 GLU C N 1 ATOM 3474 C CA . GLU C 1 14 ? 25.293 9.296 -3.927 1.00 9.97 ? 14 GLU C CA 1 ATOM 3475 C C . GLU C 1 14 ? 25.414 9.965 -5.288 1.00 10.37 ? 14 GLU C C 1 ATOM 3476 O O . GLU C 1 14 ? 26.512 10.182 -5.794 1.00 11.58 ? 14 GLU C O 1 ATOM 3477 C CB . GLU C 1 14 ? 25.566 10.277 -2.805 1.00 11.78 ? 14 GLU C CB 1 ATOM 3478 C CG . GLU C 1 14 ? 24.634 11.464 -2.795 1.00 14.59 ? 14 GLU C CG 1 ATOM 3479 C CD . GLU C 1 14 ? 24.798 12.281 -1.536 1.00 18.68 ? 14 GLU C CD 1 ATOM 3480 O OE1 . GLU C 1 14 ? 24.340 11.820 -0.466 1.00 19.73 ? 14 GLU C OE1 1 ATOM 3481 O OE2 . GLU C 1 14 ? 25.417 13.364 -1.618 1.00 22.18 ? 14 GLU C OE2 1 ATOM 3482 N N . SER C 1 15 ? 24.279 10.291 -5.887 1.00 10.41 ? 15 SER C N 1 ATOM 3483 C CA . SER C 1 15 ? 24.281 10.853 -7.223 1.00 10.60 ? 15 SER C CA 1 ATOM 3484 C C . SER C 1 15 ? 22.915 11.435 -7.516 1.00 9.93 ? 15 SER C C 1 ATOM 3485 O O . SER C 1 15 ? 21.959 11.198 -6.772 1.00 10.12 ? 15 SER C O 1 ATOM 3486 C CB . SER C 1 15 ? 24.570 9.782 -8.274 1.00 11.42 ? 15 SER C CB 1 ATOM 3487 O OG . SER C 1 15 ? 23.377 9.066 -8.572 1.00 11.28 ? 15 SER C OG 1 ATOM 3488 N N . VAL C 1 16 ? 22.816 12.145 -8.633 1.00 11.48 ? 16 VAL C N 1 ATOM 3489 C CA . VAL C 1 16 ? 21.526 12.558 -9.148 1.00 13.08 ? 16 VAL C CA 1 ATOM 3490 C C . VAL C 1 16 ? 21.197 11.790 -10.439 1.00 13.85 ? 16 VAL C C 1 ATOM 3491 O O . VAL C 1 16 ? 20.183 12.042 -11.085 1.00 16.20 ? 16 VAL C O 1 ATOM 3492 C CB . VAL C 1 16 ? 21.480 14.100 -9.361 1.00 15.48 ? 16 VAL C CB 1 ATOM 3493 C CG1 . VAL C 1 16 ? 22.330 14.515 -10.563 1.00 15.77 ? 16 VAL C CG1 1 ATOM 3494 C CG2 . VAL C 1 16 ? 20.043 14.582 -9.481 1.00 17.46 ? 16 VAL C CG2 1 ATOM 3495 N N . THR C 1 17 ? 22.055 10.840 -10.790 1.00 13.46 ? 17 THR C N 1 ATOM 3496 C CA . THR C 1 17 ? 21.974 10.102 -12.051 1.00 13.87 ? 17 THR C CA 1 ATOM 3497 C C . THR C 1 17 ? 21.576 8.624 -11.939 1.00 11.75 ? 17 THR C C 1 ATOM 3498 O O . THR C 1 17 ? 20.947 8.058 -12.840 1.00 12.76 ? 17 THR C O 1 ATOM 3499 C CB . THR C 1 17 ? 23.355 10.113 -12.755 1.00 15.85 ? 17 THR C CB 1 ATOM 3500 O OG1 . THR C 1 17 ? 24.374 9.661 -11.843 1.00 16.33 ? 17 THR C OG1 1 ATOM 3501 C CG2 . THR C 1 17 ? 23.706 11.505 -13.240 1.00 16.94 ? 17 THR C CG2 1 ATOM 3502 N N . ASP C 1 18 ? 21.965 7.979 -10.851 1.00 9.76 ? 18 ASP C N 1 ATOM 3503 C CA . ASP C 1 18 ? 21.863 6.516 -10.788 1.00 8.61 ? 18 ASP C CA 1 ATOM 3504 C C . ASP C 1 18 ? 20.448 6.085 -10.375 1.00 7.61 ? 18 ASP C C 1 ATOM 3505 O O . ASP C 1 18 ? 19.945 6.506 -9.334 1.00 7.76 ? 18 ASP C O 1 ATOM 3506 C CB . ASP C 1 18 ? 22.863 5.985 -9.769 1.00 9.19 ? 18 ASP C CB 1 ATOM 3507 C CG . ASP C 1 18 ? 24.295 6.478 -10.016 1.00 11.25 ? 18 ASP C CG 1 ATOM 3508 O OD1 . ASP C 1 18 ? 24.636 6.840 -11.167 1.00 11.09 ? 18 ASP C OD1 1 ATOM 3509 O OD2 . ASP C 1 18 ? 25.084 6.468 -9.055 1.00 11.95 ? 18 ASP C OD2 1 ATOM 3510 N N . HIS C 1 19 ? 19.794 5.276 -11.195 1.00 6.98 ? 19 HIS C N 1 ATOM 3511 C CA . HIS C 1 19 ? 18.430 4.845 -10.895 1.00 6.66 ? 19 HIS C CA 1 ATOM 3512 C C . HIS C 1 19 ? 18.029 3.613 -11.691 1.00 6.53 ? 19 HIS C C 1 ATOM 3513 O O . HIS C 1 19 ? 18.691 3.234 -12.667 1.00 7.89 ? 19 HIS C O 1 ATOM 3514 C CB . HIS C 1 19 ? 17.429 6.004 -11.121 1.00 7.48 ? 19 HIS C CB 1 ATOM 3515 C CG . HIS C 1 19 ? 17.277 6.438 -12.540 1.00 8.94 ? 19 HIS C CG 1 ATOM 3516 N ND1 . HIS C 1 19 ? 18.215 7.218 -13.182 1.00 10.58 ? 19 HIS C ND1 1 ATOM 3517 C CD2 . HIS C 1 19 ? 16.270 6.251 -13.422 1.00 10.20 ? 19 HIS C CD2 1 ATOM 3518 C CE1 . HIS C 1 19 ? 17.790 7.493 -14.407 1.00 11.28 ? 19 HIS C CE1 1 ATOM 3519 N NE2 . HIS C 1 19 ? 16.617 6.911 -14.578 1.00 11.46 ? 19 HIS C NE2 1 ATOM 3520 N N . VAL C 1 20 ? 16.973 2.962 -11.244 1.00 5.90 ? 20 VAL C N 1 ATOM 3521 C CA . VAL C 1 20 ? 16.361 1.882 -11.995 1.00 6.47 ? 20 VAL C CA 1 ATOM 3522 C C . VAL C 1 20 ? 14.911 2.227 -12.277 1.00 6.05 ? 20 VAL C C 1 ATOM 3523 O O . VAL C 1 20 ? 14.161 2.613 -11.363 1.00 7.10 ? 20 VAL C O 1 ATOM 3524 C CB . VAL C 1 20 ? 16.397 0.534 -11.229 1.00 7.04 ? 20 VAL C CB 1 ATOM 3525 C CG1 . VAL C 1 20 ? 15.725 -0.585 -12.025 1.00 8.20 ? 20 VAL C CG1 1 ATOM 3526 C CG2 . VAL C 1 20 ? 17.820 0.138 -10.897 1.00 8.09 ? 20 VAL C CG2 1 ATOM 3527 N N . ASN C 1 21 ? 14.498 2.092 -13.534 1.00 6.91 ? 21 ASN C N 1 ATOM 3528 C CA . ASN C 1 21 ? 13.095 2.215 -13.895 1.00 7.65 ? 21 ASN C CA 1 ATOM 3529 C C . ASN C 1 21 ? 12.458 0.843 -13.846 1.00 7.45 ? 21 ASN C C 1 ATOM 3530 O O . ASN C 1 21 ? 13.005 -0.107 -14.395 1.00 8.45 ? 21 ASN C O 1 ATOM 3531 C CB . ASN C 1 21 ? 12.965 2.751 -15.324 1.00 9.29 ? 21 ASN C CB 1 ATOM 3532 C CG . ASN C 1 21 ? 13.570 4.119 -15.494 1.00 11.11 ? 21 ASN C CG 1 ATOM 3533 O OD1 . ASN C 1 21 ? 13.477 4.958 -14.615 1.00 12.58 ? 21 ASN C OD1 1 ATOM 3534 N ND2 . ASN C 1 21 ? 14.198 4.357 -16.642 1.00 13.72 ? 21 ASN C ND2 1 ATOM 3535 N N . LEU C 1 22 ? 11.321 0.730 -13.169 1.00 7.57 ? 22 LEU C N 1 ATOM 3536 C CA . LEU C 1 22 ? 10.557 -0.522 -13.137 1.00 8.01 ? 22 LEU C CA 1 ATOM 3537 C C . LEU C 1 22 ? 9.355 -0.387 -14.042 1.00 10.01 ? 22 LEU C C 1 ATOM 3538 O O . LEU C 1 22 ? 8.633 0.603 -13.972 1.00 11.52 ? 22 LEU C O 1 ATOM 3539 C CB . LEU C 1 22 ? 10.108 -0.850 -11.716 1.00 8.45 ? 22 LEU C CB 1 ATOM 3540 C CG . LEU C 1 22 ? 11.199 -0.969 -10.650 1.00 8.97 ? 22 LEU C CG 1 ATOM 3541 C CD1 . LEU C 1 22 ? 10.591 -1.308 -9.305 1.00 8.99 ? 22 LEU C CD1 1 ATOM 3542 C CD2 . LEU C 1 22 ? 12.220 -2.015 -11.063 1.00 10.12 ? 22 LEU C CD2 1 ATOM 3543 N N . ILE C 1 23 ? 9.157 -1.382 -14.896 1.00 10.86 ? 23 ILE C N 1 ATOM 3544 C CA . ILE C 1 23 ? 8.127 -1.334 -15.914 1.00 13.55 ? 23 ILE C CA 1 ATOM 3545 C C . ILE C 1 23 ? 7.009 -2.325 -15.597 1.00 15.20 ? 23 ILE C C 1 ATOM 3546 O O . ILE C 1 23 ? 7.234 -3.520 -15.423 1.00 15.14 ? 23 ILE C O 1 ATOM 3547 C CB . ILE C 1 23 ? 8.724 -1.652 -17.297 1.00 16.68 ? 23 ILE C CB 1 ATOM 3548 C CG1 . ILE C 1 23 ? 9.893 -0.706 -17.595 1.00 19.33 ? 23 ILE C CG1 1 ATOM 3549 C CG2 . ILE C 1 23 ? 7.650 -1.557 -18.399 1.00 17.76 ? 23 ILE C CG2 1 ATOM 3550 C CD1 . ILE C 1 23 ? 10.740 -1.142 -18.775 1.00 21.02 ? 23 ILE C CD1 1 ATOM 3551 N N . THR C 1 24 ? 5.794 -1.808 -15.515 1.00 19.06 ? 24 THR C N 1 ATOM 3552 C CA . THR C 1 24 ? 4.622 -2.639 -15.307 1.00 22.67 ? 24 THR C CA 1 ATOM 3553 C C . THR C 1 24 ? 3.557 -2.119 -16.260 1.00 26.22 ? 24 THR C C 1 ATOM 3554 O O . THR C 1 24 ? 3.443 -0.906 -16.455 1.00 27.01 ? 24 THR C O 1 ATOM 3555 C CB . THR C 1 24 ? 4.123 -2.546 -13.846 1.00 22.87 ? 24 THR C CB 1 ATOM 3556 O OG1 . THR C 1 24 ? 2.995 -3.411 -13.644 1.00 22.70 ? 24 THR C OG1 1 ATOM 3557 C CG2 . THR C 1 24 ? 3.721 -1.122 -13.509 1.00 23.83 ? 24 THR C CG2 1 ATOM 3558 N N . PRO C 1 25 ? 2.794 -3.026 -16.872 1.00 29.40 ? 25 PRO C N 1 ATOM 3559 C CA . PRO C 1 25 ? 1.677 -2.719 -17.775 1.00 31.58 ? 25 PRO C CA 1 ATOM 3560 C C . PRO C 1 25 ? 0.418 -2.301 -17.019 1.00 33.21 ? 25 PRO C C 1 ATOM 3561 O O . PRO C 1 25 ? -0.651 -2.882 -17.245 1.00 34.09 ? 25 PRO C O 1 ATOM 3562 C CB . PRO C 1 25 ? 1.446 -4.057 -18.483 1.00 31.52 ? 25 PRO C CB 1 ATOM 3563 C CG . PRO C 1 25 ? 1.833 -5.078 -17.456 1.00 31.05 ? 25 PRO C CG 1 ATOM 3564 C CD . PRO C 1 25 ? 3.009 -4.481 -16.742 1.00 30.38 ? 25 PRO C CD 1 ATOM 3565 N N . LEU C 1 26 ? 0.537 -1.306 -16.143 1.00 33.33 ? 26 LEU C N 1 ATOM 3566 C CA . LEU C 1 26 ? -0.586 -0.905 -15.303 1.00 33.43 ? 26 LEU C CA 1 ATOM 3567 C C . LEU C 1 26 ? -1.406 0.214 -15.951 1.00 33.15 ? 26 LEU C C 1 ATOM 3568 O O . LEU C 1 26 ? -0.998 1.382 -15.955 1.00 33.05 ? 26 LEU C O 1 ATOM 3569 C CB . LEU C 1 26 ? -0.071 -0.471 -13.929 1.00 34.18 ? 26 LEU C CB 1 ATOM 3570 C CG . LEU C 1 26 ? -1.092 -0.268 -12.811 1.00 35.04 ? 26 LEU C CG 1 ATOM 3571 C CD1 . LEU C 1 26 ? -1.994 -1.492 -12.646 1.00 35.07 ? 26 LEU C CD1 1 ATOM 3572 C CD2 . LEU C 1 26 ? -0.352 0.032 -11.518 1.00 35.53 ? 26 LEU C CD2 1 ATOM 3573 N N . GLU C 1 27 ? -2.564 -0.143 -16.500 1.00 32.91 ? 27 GLU C N 1 ATOM 3574 C CA . GLU C 1 27 ? -3.376 0.837 -17.208 1.00 32.86 ? 27 GLU C CA 1 ATOM 3575 C C . GLU C 1 27 ? -4.655 1.220 -16.476 1.00 30.35 ? 27 GLU C C 1 ATOM 3576 O O . GLU C 1 27 ? -5.332 2.160 -16.884 1.00 31.02 ? 27 GLU C O 1 ATOM 3577 C CB . GLU C 1 27 ? -3.714 0.346 -18.619 1.00 35.59 ? 27 GLU C CB 1 ATOM 3578 C CG . GLU C 1 27 ? -2.683 0.751 -19.674 1.00 38.55 ? 27 GLU C CG 1 ATOM 3579 C CD . GLU C 1 27 ? -3.255 0.743 -21.086 1.00 41.12 ? 27 GLU C CD 1 ATOM 3580 O OE1 . GLU C 1 27 ? -4.384 0.235 -21.269 1.00 42.31 ? 27 GLU C OE1 1 ATOM 3581 O OE2 . GLU C 1 27 ? -2.581 1.247 -22.010 1.00 42.01 ? 27 GLU C OE2 1 ATOM 3582 N N . LYS C 1 28 ? -4.983 0.512 -15.397 1.00 27.50 ? 28 LYS C N 1 ATOM 3583 C CA . LYS C 1 28 ? -6.169 0.841 -14.618 1.00 26.16 ? 28 LYS C CA 1 ATOM 3584 C C . LYS C 1 28 ? -5.750 1.453 -13.293 1.00 22.59 ? 28 LYS C C 1 ATOM 3585 O O . LYS C 1 28 ? -4.816 0.981 -12.664 1.00 21.96 ? 28 LYS C O 1 ATOM 3586 C CB . LYS C 1 28 ? -7.023 -0.400 -14.365 1.00 28.86 ? 28 LYS C CB 1 ATOM 3587 C CG . LYS C 1 28 ? -7.586 -1.019 -15.621 1.00 31.62 ? 28 LYS C CG 1 ATOM 3588 C CD . LYS C 1 28 ? -8.596 -2.109 -15.293 1.00 33.91 ? 28 LYS C CD 1 ATOM 3589 C CE . LYS C 1 28 ? -9.275 -2.626 -16.554 1.00 35.76 ? 28 LYS C CE 1 ATOM 3590 N NZ . LYS C 1 28 ? -10.367 -3.601 -16.254 1.00 36.59 ? 28 LYS C NZ 1 ATOM 3591 N N . PRO C 1 29 ? -6.439 2.519 -12.875 1.00 19.54 ? 29 PRO C N 1 ATOM 3592 C CA . PRO C 1 29 ? -6.124 3.133 -11.584 1.00 17.30 ? 29 PRO C CA 1 ATOM 3593 C C . PRO C 1 29 ? -6.210 2.109 -10.452 1.00 16.17 ? 29 PRO C C 1 ATOM 3594 O O . PRO C 1 29 ? -7.033 1.190 -10.494 1.00 17.82 ? 29 PRO C O 1 ATOM 3595 C CB . PRO C 1 29 ? -7.192 4.220 -11.449 1.00 17.68 ? 29 PRO C CB 1 ATOM 3596 C CG . PRO C 1 29 ? -7.551 4.559 -12.880 1.00 19.36 ? 29 PRO C CG 1 ATOM 3597 C CD . PRO C 1 29 ? -7.492 3.254 -13.594 1.00 19.74 ? 29 PRO C CD 1 ATOM 3598 N N . LEU C 1 30 ? -5.344 2.280 -9.462 1.00 13.61 ? 30 LEU C N 1 ATOM 3599 C CA . LEU C 1 30 ? -5.218 1.351 -8.345 1.00 14.25 ? 30 LEU C CA 1 ATOM 3600 C C . LEU C 1 30 ? -6.102 1.750 -7.183 1.00 12.04 ? 30 LEU C C 1 ATOM 3601 O O . LEU C 1 30 ? -5.995 2.852 -6.658 1.00 12.01 ? 30 LEU C O 1 ATOM 3602 C CB . LEU C 1 30 ? -3.787 1.341 -7.808 1.00 17.92 ? 30 LEU C CB 1 ATOM 3603 C CG . LEU C 1 30 ? -2.697 0.612 -8.560 1.00 19.89 ? 30 LEU C CG 1 ATOM 3604 C CD1 . LEU C 1 30 ? -1.390 0.827 -7.796 1.00 19.87 ? 30 LEU C CD1 1 ATOM 3605 C CD2 . LEU C 1 30 ? -3.046 -0.865 -8.676 1.00 20.96 ? 30 LEU C CD2 1 ATOM 3606 N N . GLN C 1 31 ? -6.945 0.831 -6.755 1.00 11.14 ? 31 GLN C N 1 ATOM 3607 C CA . GLN C 1 31 ? -7.772 1.039 -5.575 1.00 12.16 ? 31 GLN C CA 1 ATOM 3608 C C . GLN C 1 31 ? -7.118 0.448 -4.335 1.00 10.29 ? 31 GLN C C 1 ATOM 3609 O O . GLN C 1 31 ? -7.283 0.974 -3.250 1.00 11.44 ? 31 GLN C O 1 ATOM 3610 C CB . GLN C 1 31 ? -9.127 0.388 -5.778 1.00 16.23 ? 31 GLN C CB 1 ATOM 3611 C CG . GLN C 1 31 ? -9.858 0.917 -6.993 1.00 21.63 ? 31 GLN C CG 1 ATOM 3612 C CD . GLN C 1 31 ? -11.165 0.201 -7.244 1.00 26.31 ? 31 GLN C CD 1 ATOM 3613 O OE1 . GLN C 1 31 ? -11.775 -0.369 -6.327 1.00 28.06 ? 31 GLN C OE1 1 ATOM 3614 N NE2 . GLN C 1 31 ? -11.610 0.232 -8.492 1.00 28.42 ? 31 GLN C NE2 1 ATOM 3615 N N . ASN C 1 32 ? -6.406 -0.659 -4.511 1.00 8.20 ? 32 ASN C N 1 ATOM 3616 C CA . ASN C 1 32 ? -5.794 -1.406 -3.416 1.00 7.37 ? 32 ASN C CA 1 ATOM 3617 C C . ASN C 1 32 ? -4.391 -1.823 -3.847 1.00 7.11 ? 32 ASN C C 1 ATOM 3618 O O . ASN C 1 32 ? -4.195 -2.207 -4.994 1.00 9.05 ? 32 ASN C O 1 ATOM 3619 C CB . ASN C 1 32 ? -6.578 -2.703 -3.135 1.00 9.24 ? 32 ASN C CB 1 ATOM 3620 C CG . ASN C 1 32 ? -8.043 -2.483 -2.859 1.00 13.26 ? 32 ASN C CG 1 ATOM 3621 O OD1 . ASN C 1 32 ? -8.421 -1.616 -2.074 1.00 13.23 ? 32 ASN C OD1 1 ATOM 3622 N ND2 . ASN C 1 32 ? -8.879 -3.308 -3.494 1.00 19.01 ? 32 ASN C ND2 1 ATOM 3623 N N . PHE C 1 33 ? -3.420 -1.813 -2.942 1.00 6.25 ? 33 PHE C N 1 ATOM 3624 C CA . PHE C 1 33 ? -2.121 -2.398 -3.285 1.00 5.91 ? 33 PHE C CA 1 ATOM 3625 C C . PHE C 1 33 ? -1.368 -2.789 -2.042 1.00 4.92 ? 33 PHE C C 1 ATOM 3626 O O . PHE C 1 33 ? -1.663 -2.312 -0.952 1.00 5.18 ? 33 PHE C O 1 ATOM 3627 C CB . PHE C 1 33 ? -1.268 -1.443 -4.148 1.00 7.05 ? 33 PHE C CB 1 ATOM 3628 C CG . PHE C 1 33 ? -0.710 -0.274 -3.379 1.00 6.67 ? 33 PHE C CG 1 ATOM 3629 C CD1 . PHE C 1 33 ? 0.468 -0.381 -2.647 1.00 7.63 ? 33 PHE C CD1 1 ATOM 3630 C CD2 . PHE C 1 33 ? -1.389 0.931 -3.354 1.00 6.35 ? 33 PHE C CD2 1 ATOM 3631 C CE1 . PHE C 1 33 ? 0.954 0.708 -1.929 1.00 8.61 ? 33 PHE C CE1 1 ATOM 3632 C CE2 . PHE C 1 33 ? -0.890 2.032 -2.646 1.00 6.86 ? 33 PHE C CE2 1 ATOM 3633 C CZ . PHE C 1 33 ? 0.252 1.904 -1.906 1.00 7.60 ? 33 PHE C CZ 1 ATOM 3634 N N . THR C 1 34 ? -0.403 -3.686 -2.228 1.00 4.86 ? 34 THR C N 1 ATOM 3635 C CA . THR C 1 34 ? 0.628 -3.969 -1.238 1.00 5.16 ? 34 THR C CA 1 ATOM 3636 C C . THR C 1 34 ? 1.963 -3.972 -1.956 1.00 4.80 ? 34 THR C C 1 ATOM 3637 O O . THR C 1 34 ? 2.057 -4.490 -3.054 1.00 6.11 ? 34 THR C O 1 ATOM 3638 C CB . THR C 1 34 ? 0.442 -5.344 -0.569 1.00 5.65 ? 34 THR C CB 1 ATOM 3639 O OG1 . THR C 1 34 ? -0.858 -5.452 0.002 1.00 6.42 ? 34 THR C OG1 1 ATOM 3640 C CG2 . THR C 1 34 ? 1.451 -5.566 0.526 1.00 6.30 ? 34 THR C CG2 1 ATOM 3641 N N . LEU C 1 35 ? 2.981 -3.388 -1.345 1.00 5.04 ? 35 LEU C N 1 ATOM 3642 C CA . LEU C 1 35 ? 4.329 -3.332 -1.887 1.00 5.25 ? 35 LEU C CA 1 ATOM 3643 C C . LEU C 1 35 ? 5.255 -3.825 -0.779 1.00 4.71 ? 35 LEU C C 1 ATOM 3644 O O . LEU C 1 35 ? 5.202 -3.332 0.350 1.00 6.20 ? 35 LEU C O 1 ATOM 3645 C CB . LEU C 1 35 ? 4.673 -1.865 -2.216 1.00 6.31 ? 35 LEU C CB 1 ATOM 3646 C CG . LEU C 1 35 ? 6.123 -1.572 -2.549 1.00 8.23 ? 35 LEU C CG 1 ATOM 3647 C CD1 . LEU C 1 35 ? 6.573 -2.275 -3.835 1.00 8.67 ? 35 LEU C CD1 1 ATOM 3648 C CD2 . LEU C 1 35 ? 6.341 -0.090 -2.649 1.00 9.08 ? 35 LEU C CD2 1 ATOM 3649 N N A CYS C 1 36 ? 6.087 -4.808 -1.085 0.65 4.71 ? 36 CYS C N 1 ATOM 3650 N N B CYS C 1 36 ? 6.124 -4.767 -1.080 0.35 5.17 ? 36 CYS C N 1 ATOM 3651 C CA A CYS C 1 36 ? 7.087 -5.320 -0.150 0.65 5.43 ? 36 CYS C CA 1 ATOM 3652 C CA B CYS C 1 36 ? 7.150 -5.097 -0.116 0.35 6.05 ? 36 CYS C CA 1 ATOM 3653 C C A CYS C 1 36 ? 8.482 -5.256 -0.809 0.65 4.37 ? 36 CYS C C 1 ATOM 3654 C C B CYS C 1 36 ? 8.487 -5.327 -0.782 0.35 4.88 ? 36 CYS C C 1 ATOM 3655 O O A CYS C 1 36 ? 8.627 -5.394 -2.042 0.65 4.92 ? 36 CYS C O 1 ATOM 3656 O O B CYS C 1 36 ? 8.591 -5.735 -1.951 0.35 4.82 ? 36 CYS C O 1 ATOM 3657 C CB A CYS C 1 36 ? 6.801 -6.779 0.248 0.65 7.48 ? 36 CYS C CB 1 ATOM 3658 C CB B CYS C 1 36 ? 6.786 -6.318 0.705 0.35 7.84 ? 36 CYS C CB 1 ATOM 3659 S SG A CYS C 1 36 ? 5.266 -7.133 1.175 0.65 9.19 ? 36 CYS C SG 1 ATOM 3660 S SG B CYS C 1 36 ? 7.009 -7.843 -0.191 0.35 9.72 ? 36 CYS C SG 1 ATOM 3661 N N . PHE C 1 37 ? 9.521 -5.080 -0.003 1.00 4.59 ? 37 PHE C N 1 ATOM 3662 C CA . PHE C 1 37 ? 10.894 -5.159 -0.491 1.00 4.54 ? 37 PHE C CA 1 ATOM 3663 C C . PHE C 1 37 ? 11.839 -5.168 0.711 1.00 4.20 ? 37 PHE C C 1 ATOM 3664 O O . PHE C 1 37 ? 11.445 -4.879 1.843 1.00 5.33 ? 37 PHE C O 1 ATOM 3665 C CB . PHE C 1 37 ? 11.238 -3.998 -1.446 1.00 5.24 ? 37 PHE C CB 1 ATOM 3666 C CG . PHE C 1 37 ? 10.998 -2.641 -0.859 1.00 5.69 ? 37 PHE C CG 1 ATOM 3667 C CD1 . PHE C 1 37 ? 9.755 -2.062 -0.946 1.00 7.18 ? 37 PHE C CD1 1 ATOM 3668 C CD2 . PHE C 1 37 ? 12.000 -1.961 -0.176 1.00 6.95 ? 37 PHE C CD2 1 ATOM 3669 C CE1 . PHE C 1 37 ? 9.512 -0.843 -0.384 1.00 8.23 ? 37 PHE C CE1 1 ATOM 3670 C CE2 . PHE C 1 37 ? 11.751 -0.734 0.372 1.00 8.76 ? 37 PHE C CE2 1 ATOM 3671 C CZ . PHE C 1 37 ? 10.503 -0.186 0.281 1.00 8.97 ? 37 PHE C CZ 1 ATOM 3672 N N . ARG C 1 38 ? 13.084 -5.530 0.444 1.00 4.21 ? 38 ARG C N 1 ATOM 3673 C CA . ARG C 1 38 ? 14.142 -5.466 1.435 1.00 5.03 ? 38 ARG C CA 1 ATOM 3674 C C . ARG C 1 38 ? 15.106 -4.366 1.048 1.00 4.43 ? 38 ARG C C 1 ATOM 3675 O O . ARG C 1 38 ? 15.392 -4.180 -0.134 1.00 6.09 ? 38 ARG C O 1 ATOM 3676 C CB . ARG C 1 38 ? 14.943 -6.757 1.493 1.00 9.16 ? 38 ARG C CB 1 ATOM 3677 C CG . ARG C 1 38 ? 14.194 -7.933 1.888 1.00 12.42 ? 38 ARG C CG 1 ATOM 3678 C CD . ARG C 1 38 ? 15.099 -9.157 2.004 1.00 13.24 ? 38 ARG C CD 1 ATOM 3679 N NE . ARG C 1 38 ? 14.230 -10.305 1.936 1.00 15.05 ? 38 ARG C NE 1 ATOM 3680 C CZ . ARG C 1 38 ? 13.567 -10.796 2.967 1.00 16.28 ? 38 ARG C CZ 1 ATOM 3681 N NH1 . ARG C 1 38 ? 13.762 -10.316 4.184 1.00 15.98 ? 38 ARG C NH1 1 ATOM 3682 N NH2 . ARG C 1 38 ? 12.761 -11.824 2.781 1.00 18.46 ? 38 ARG C NH2 1 ATOM 3683 N N . ALA C 1 39 ? 15.638 -3.662 2.029 1.00 4.53 ? 39 ALA C N 1 ATOM 3684 C CA . ALA C 1 39 ? 16.587 -2.585 1.799 1.00 4.45 ? 39 ALA C CA 1 ATOM 3685 C C . ALA C 1 39 ? 17.671 -2.579 2.858 1.00 4.12 ? 39 ALA C C 1 ATOM 3686 O O . ALA C 1 39 ? 17.454 -2.966 4.003 1.00 5.56 ? 39 ALA C O 1 ATOM 3687 C CB . ALA C 1 39 ? 15.868 -1.238 1.779 1.00 6.19 ? 39 ALA C CB 1 ATOM 3688 N N . TYR C 1 40 ? 18.850 -2.147 2.454 1.00 4.48 ? 40 TYR C N 1 ATOM 3689 C CA . TYR C 1 40 ? 19.989 -2.038 3.360 1.00 4.38 ? 40 TYR C CA 1 ATOM 3690 C C . TYR C 1 40 ? 20.770 -0.803 2.986 1.00 4.98 ? 40 TYR C C 1 ATOM 3691 O O . TYR C 1 40 ? 21.367 -0.736 1.919 1.00 5.27 ? 40 TYR C O 1 ATOM 3692 C CB . TYR C 1 40 ? 20.850 -3.297 3.254 1.00 4.47 ? 40 TYR C CB 1 ATOM 3693 C CG . TYR C 1 40 ? 21.934 -3.485 4.297 1.00 4.26 ? 40 TYR C CG 1 ATOM 3694 C CD1 . TYR C 1 40 ? 21.919 -2.831 5.525 1.00 4.83 ? 40 TYR C CD1 1 ATOM 3695 C CD2 . TYR C 1 40 ? 23.004 -4.341 4.029 1.00 4.89 ? 40 TYR C CD2 1 ATOM 3696 C CE1 . TYR C 1 40 ? 22.956 -3.044 6.463 1.00 4.95 ? 40 TYR C CE1 1 ATOM 3697 C CE2 . TYR C 1 40 ? 23.999 -4.570 4.941 1.00 5.76 ? 40 TYR C CE2 1 ATOM 3698 C CZ . TYR C 1 40 ? 23.993 -3.921 6.152 1.00 5.21 ? 40 TYR C CZ 1 ATOM 3699 O OH . TYR C 1 40 ? 25.006 -4.135 7.075 1.00 6.59 ? 40 TYR C OH 1 ATOM 3700 N N . SER C 1 41 ? 20.745 0.183 3.879 1.00 5.55 ? 41 SER C N 1 ATOM 3701 C CA . SER C 1 41 ? 21.380 1.472 3.663 1.00 5.64 ? 41 SER C CA 1 ATOM 3702 C C . SER C 1 41 ? 21.960 1.966 4.957 1.00 6.50 ? 41 SER C C 1 ATOM 3703 O O . SER C 1 41 ? 21.359 1.797 5.995 1.00 9.26 ? 41 SER C O 1 ATOM 3704 C CB . SER C 1 41 ? 20.351 2.484 3.178 1.00 6.15 ? 41 SER C CB 1 ATOM 3705 O OG . SER C 1 41 ? 20.925 3.770 3.014 1.00 6.86 ? 41 SER C OG 1 ATOM 3706 N N . ASP C 1 42 ? 23.082 2.663 4.891 1.00 5.56 ? 42 ASP C N 1 ATOM 3707 C CA . ASP C 1 42 ? 23.606 3.342 6.075 1.00 6.94 ? 42 ASP C CA 1 ATOM 3708 C C . ASP C 1 42 ? 23.548 4.850 5.966 1.00 7.25 ? 42 ASP C C 1 ATOM 3709 O O . ASP C 1 42 ? 24.229 5.552 6.697 1.00 8.35 ? 42 ASP C O 1 ATOM 3710 C CB . ASP C 1 42 ? 24.996 2.799 6.505 1.00 7.52 ? 42 ASP C CB 1 ATOM 3711 C CG . ASP C 1 42 ? 26.076 2.939 5.449 1.00 8.47 ? 42 ASP C CG 1 ATOM 3712 O OD1 . ASP C 1 42 ? 25.954 3.768 4.524 1.00 10.54 ? 42 ASP C OD1 1 ATOM 3713 O OD2 . ASP C 1 42 ? 27.095 2.193 5.563 1.00 9.20 ? 42 ASP C OD2 1 ATOM 3714 N N . LEU C 1 43 ? 22.671 5.353 5.111 1.00 6.56 ? 43 LEU C N 1 ATOM 3715 C CA . LEU C 1 43 ? 22.336 6.778 5.129 1.00 7.54 ? 43 LEU C CA 1 ATOM 3716 C C . LEU C 1 43 ? 21.589 7.179 6.391 1.00 8.91 ? 43 LEU C C 1 ATOM 3717 O O . LEU C 1 43 ? 20.727 6.431 6.863 1.00 10.22 ? 43 LEU C O 1 ATOM 3718 C CB . LEU C 1 43 ? 21.453 7.142 3.933 1.00 7.63 ? 43 LEU C CB 1 ATOM 3719 C CG . LEU C 1 43 ? 22.085 7.148 2.544 1.00 8.01 ? 43 LEU C CG 1 ATOM 3720 C CD1 . LEU C 1 43 ? 20.973 7.374 1.504 1.00 7.68 ? 43 LEU C CD1 1 ATOM 3721 C CD2 . LEU C 1 43 ? 23.170 8.204 2.417 1.00 8.84 ? 43 LEU C CD2 1 ATOM 3722 N N . SER C 1 44 ? 21.896 8.371 6.912 1.00 10.45 ? 44 SER C N 1 ATOM 3723 C CA . SER C 1 44 ? 21.132 8.952 8.014 1.00 12.19 ? 44 SER C CA 1 ATOM 3724 C C . SER C 1 44 ? 20.180 10.039 7.545 1.00 11.97 ? 44 SER C C 1 ATOM 3725 O O . SER C 1 44 ? 19.169 10.311 8.207 1.00 12.93 ? 44 SER C O 1 ATOM 3726 C CB . SER C 1 44 ? 22.073 9.547 9.065 1.00 14.47 ? 44 SER C CB 1 ATOM 3727 O OG . SER C 1 44 ? 22.699 8.512 9.790 1.00 17.80 ? 44 SER C OG 1 ATOM 3728 N N . ARG C 1 45 ? 20.509 10.675 6.430 1.00 10.22 ? 45 ARG C N 1 ATOM 3729 C CA . ARG C 1 45 ? 19.638 11.691 5.854 1.00 9.59 ? 45 ARG C CA 1 ATOM 3730 C C . ARG C 1 45 ? 18.401 11.009 5.263 1.00 10.08 ? 45 ARG C C 1 ATOM 3731 O O . ARG C 1 45 ? 18.329 9.792 5.161 1.00 10.87 ? 45 ARG C O 1 ATOM 3732 C CB . ARG C 1 45 ? 20.356 12.482 4.748 1.00 9.36 ? 45 ARG C CB 1 ATOM 3733 C CG . ARG C 1 45 ? 20.764 11.656 3.539 1.00 10.30 ? 45 ARG C CG 1 ATOM 3734 C CD . ARG C 1 45 ? 20.986 12.565 2.341 1.00 9.82 ? 45 ARG C CD 1 ATOM 3735 N NE . ARG C 1 45 ? 21.682 11.848 1.279 1.00 9.24 ? 45 ARG C NE 1 ATOM 3736 C CZ . ARG C 1 45 ? 21.110 11.017 0.419 1.00 8.56 ? 45 ARG C CZ 1 ATOM 3737 N NH1 . ARG C 1 45 ? 19.808 10.797 0.453 1.00 8.19 ? 45 ARG C NH1 1 ATOM 3738 N NH2 . ARG C 1 45 ? 21.857 10.420 -0.492 1.00 8.35 ? 45 ARG C NH2 1 ATOM 3739 N N . ALA C 1 46 ? 17.439 11.817 4.863 1.00 10.06 ? 46 ALA C N 1 ATOM 3740 C CA . ALA C 1 46 ? 16.216 11.346 4.230 1.00 10.44 ? 46 ALA C CA 1 ATOM 3741 C C . ALA C 1 46 ? 16.510 10.734 2.874 1.00 9.85 ? 46 ALA C C 1 ATOM 3742 O O . ALA C 1 46 ? 17.437 11.167 2.173 1.00 10.95 ? 46 ALA C O 1 ATOM 3743 C CB . ALA C 1 46 ? 15.254 12.519 4.061 1.00 11.96 ? 46 ALA C CB 1 ATOM 3744 N N . TYR C 1 47 ? 15.701 9.752 2.483 1.00 8.22 ? 47 TYR C N 1 ATOM 3745 C CA . TYR C 1 47 ? 15.796 9.177 1.142 1.00 7.26 ? 47 TYR C CA 1 ATOM 3746 C C . TYR C 1 47 ? 14.511 8.524 0.687 1.00 7.14 ? 47 TYR C C 1 ATOM 3747 O O . TYR C 1 47 ? 13.719 8.091 1.492 1.00 7.76 ? 47 TYR C O 1 ATOM 3748 C CB . TYR C 1 47 ? 16.927 8.165 1.038 1.00 8.16 ? 47 TYR C CB 1 ATOM 3749 C CG . TYR C 1 47 ? 16.973 7.069 2.072 1.00 7.46 ? 47 TYR C CG 1 ATOM 3750 C CD1 . TYR C 1 47 ? 16.269 5.888 1.897 1.00 8.00 ? 47 TYR C CD1 1 ATOM 3751 C CD2 . TYR C 1 47 ? 17.726 7.215 3.241 1.00 8.09 ? 47 TYR C CD2 1 ATOM 3752 C CE1 . TYR C 1 47 ? 16.354 4.861 2.830 1.00 8.44 ? 47 TYR C CE1 1 ATOM 3753 C CE2 . TYR C 1 47 ? 17.801 6.205 4.193 1.00 8.87 ? 47 TYR C CE2 1 ATOM 3754 C CZ . TYR C 1 47 ? 17.108 5.035 3.976 1.00 8.46 ? 47 TYR C CZ 1 ATOM 3755 O OH . TYR C 1 47 ? 17.179 3.989 4.869 1.00 9.95 ? 47 TYR C OH 1 ATOM 3756 N N . SER C 1 48 ? 14.339 8.459 -0.629 1.00 6.34 ? 48 SER C N 1 ATOM 3757 C CA . SER C 1 48 ? 13.230 7.780 -1.261 1.00 6.48 ? 48 SER C CA 1 ATOM 3758 C C . SER C 1 48 ? 13.522 6.302 -1.425 1.00 5.95 ? 48 SER C C 1 ATOM 3759 O O . SER C 1 48 ? 14.608 5.914 -1.853 1.00 7.14 ? 48 SER C O 1 ATOM 3760 C CB . SER C 1 48 ? 12.973 8.385 -2.631 1.00 8.20 ? 48 SER C CB 1 ATOM 3761 O OG . SER C 1 48 ? 11.871 7.751 -3.258 1.00 9.06 ? 48 SER C OG 1 ATOM 3762 N N . LEU C 1 49 ? 12.537 5.481 -1.101 1.00 5.95 ? 49 LEU C N 1 ATOM 3763 C CA . LEU C 1 49 ? 12.633 4.040 -1.301 1.00 5.82 ? 49 LEU C CA 1 ATOM 3764 C C . LEU C 1 49 ? 11.929 3.580 -2.572 1.00 5.46 ? 49 LEU C C 1 ATOM 3765 O O . LEU C 1 49 ? 12.436 2.713 -3.265 1.00 7.63 ? 49 LEU C O 1 ATOM 3766 C CB . LEU C 1 49 ? 12.090 3.275 -0.089 1.00 7.99 ? 49 LEU C CB 1 ATOM 3767 C CG . LEU C 1 49 ? 12.993 3.293 1.145 1.00 10.06 ? 49 LEU C CG 1 ATOM 3768 C CD1 . LEU C 1 49 ? 12.197 2.950 2.391 1.00 11.85 ? 49 LEU C CD1 1 ATOM 3769 C CD2 . LEU C 1 49 ? 14.191 2.345 0.970 1.00 10.08 ? 49 LEU C CD2 1 ATOM 3770 N N . PHE C 1 50 ? 10.795 4.179 -2.906 1.00 5.81 ? 50 PHE C N 1 ATOM 3771 C CA . PHE C 1 50 ? 10.004 3.760 -4.059 1.00 4.43 ? 50 PHE C CA 1 ATOM 3772 C C . PHE C 1 50 ? 9.207 4.967 -4.512 1.00 4.52 ? 50 PHE C C 1 ATOM 3773 O O . PHE C 1 50 ? 8.392 5.497 -3.761 1.00 6.01 ? 50 PHE C O 1 ATOM 3774 C CB . PHE C 1 50 ? 9.077 2.617 -3.644 1.00 5.18 ? 50 PHE C CB 1 ATOM 3775 C CG . PHE C 1 50 ? 8.210 2.056 -4.744 1.00 5.59 ? 50 PHE C CG 1 ATOM 3776 C CD1 . PHE C 1 50 ? 6.954 2.591 -5.006 1.00 6.35 ? 50 PHE C CD1 1 ATOM 3777 C CD2 . PHE C 1 50 ? 8.617 0.937 -5.452 1.00 5.88 ? 50 PHE C CD2 1 ATOM 3778 C CE1 . PHE C 1 50 ? 6.143 2.024 -5.994 1.00 6.84 ? 50 PHE C CE1 1 ATOM 3779 C CE2 . PHE C 1 50 ? 7.792 0.361 -6.406 1.00 6.60 ? 50 PHE C CE2 1 ATOM 3780 C CZ . PHE C 1 50 ? 6.557 0.912 -6.684 1.00 7.08 ? 50 PHE C CZ 1 ATOM 3781 N N . SER C 1 51 ? 9.434 5.406 -5.742 1.00 4.71 ? 51 SER C N 1 ATOM 3782 C CA . SER C 1 51 ? 8.861 6.636 -6.275 1.00 4.79 ? 51 SER C CA 1 ATOM 3783 C C . SER C 1 51 ? 8.000 6.320 -7.503 1.00 5.66 ? 51 SER C C 1 ATOM 3784 O O . SER C 1 51 ? 8.478 5.817 -8.522 1.00 6.43 ? 51 SER C O 1 ATOM 3785 C CB . SER C 1 51 ? 10.000 7.596 -6.621 1.00 5.61 ? 51 SER C CB 1 ATOM 3786 O OG . SER C 1 51 ? 9.584 8.732 -7.361 1.00 6.08 ? 51 SER C OG 1 ATOM 3787 N N . TYR C 1 52 ? 6.721 6.648 -7.412 1.00 6.52 ? 52 TYR C N 1 ATOM 3788 C CA . TYR C 1 52 ? 5.724 6.370 -8.459 1.00 6.48 ? 52 TYR C CA 1 ATOM 3789 C C . TYR C 1 52 ? 5.020 7.680 -8.764 1.00 6.50 ? 52 TYR C C 1 ATOM 3790 O O . TYR C 1 52 ? 4.353 8.248 -7.903 1.00 7.03 ? 52 TYR C O 1 ATOM 3791 C CB . TYR C 1 52 ? 4.777 5.289 -7.931 1.00 6.65 ? 52 TYR C CB 1 ATOM 3792 C CG . TYR C 1 52 ? 3.542 4.867 -8.681 1.00 7.15 ? 52 TYR C CG 1 ATOM 3793 C CD1 . TYR C 1 52 ? 2.535 5.763 -8.985 1.00 7.33 ? 52 TYR C CD1 1 ATOM 3794 C CD2 . TYR C 1 52 ? 3.307 3.510 -8.929 1.00 8.07 ? 52 TYR C CD2 1 ATOM 3795 C CE1 . TYR C 1 52 ? 1.365 5.337 -9.585 1.00 8.57 ? 52 TYR C CE1 1 ATOM 3796 C CE2 . TYR C 1 52 ? 2.141 3.082 -9.522 1.00 8.87 ? 52 TYR C CE2 1 ATOM 3797 C CZ . TYR C 1 52 ? 1.160 3.997 -9.843 1.00 9.24 ? 52 TYR C CZ 1 ATOM 3798 O OH . TYR C 1 52 ? -0.003 3.572 -10.461 1.00 11.09 ? 52 TYR C OH 1 ATOM 3799 N N . ASN C 1 53 ? 5.247 8.178 -9.978 1.00 6.32 ? 53 ASN C N 1 ATOM 3800 C CA . ASN C 1 53 ? 4.691 9.436 -10.459 1.00 6.93 ? 53 ASN C CA 1 ATOM 3801 C C . ASN C 1 53 ? 3.901 9.154 -11.714 1.00 7.67 ? 53 ASN C C 1 ATOM 3802 O O . ASN C 1 53 ? 4.153 8.189 -12.409 1.00 8.54 ? 53 ASN C O 1 ATOM 3803 C CB . ASN C 1 53 ? 5.783 10.473 -10.783 1.00 7.74 ? 53 ASN C CB 1 ATOM 3804 C CG . ASN C 1 53 ? 6.222 11.274 -9.570 1.00 8.31 ? 53 ASN C CG 1 ATOM 3805 O OD1 . ASN C 1 53 ? 5.920 10.917 -8.433 1.00 8.99 ? 53 ASN C OD1 1 ATOM 3806 N ND2 . ASN C 1 53 ? 6.947 12.367 -9.807 1.00 8.42 ? 53 ASN C ND2 1 ATOM 3807 N N . THR C 1 54 ? 2.920 9.994 -11.995 1.00 8.81 ? 54 THR C N 1 ATOM 3808 C CA . THR C 1 54 ? 2.150 9.866 -13.231 1.00 10.48 ? 54 THR C CA 1 ATOM 3809 C C . THR C 1 54 ? 2.169 11.217 -13.923 1.00 12.31 ? 54 THR C C 1 ATOM 3810 O O . THR C 1 54 ? 2.709 12.182 -13.395 1.00 12.31 ? 54 THR C O 1 ATOM 3811 C CB . THR C 1 54 ? 0.699 9.371 -12.975 1.00 11.51 ? 54 THR C CB 1 ATOM 3812 O OG1 . THR C 1 54 ? -0.034 10.329 -12.207 1.00 13.20 ? 54 THR C OG1 1 ATOM 3813 C CG2 . THR C 1 54 ? 0.695 8.053 -12.231 1.00 11.24 ? 54 THR C CG2 1 ATOM 3814 N N . GLN C 1 55 ? 1.653 11.282 -15.143 1.00 13.23 ? 55 GLN C N 1 ATOM 3815 C CA . GLN C 1 55 ? 1.760 12.519 -15.900 1.00 15.24 ? 55 GLN C CA 1 ATOM 3816 C C . GLN C 1 55 ? 1.016 13.635 -15.180 1.00 14.64 ? 55 GLN C C 1 ATOM 3817 O O . GLN C 1 55 ? -0.180 13.515 -14.878 1.00 15.84 ? 55 GLN C O 1 ATOM 3818 C CB . GLN C 1 55 ? 1.205 12.338 -17.316 1.00 17.81 ? 55 GLN C CB 1 ATOM 3819 C CG . GLN C 1 55 ? 1.194 13.618 -18.174 1.00 21.36 ? 55 GLN C CG 1 ATOM 3820 C CD . GLN C 1 55 ? 2.577 14.226 -18.369 1.00 24.79 ? 55 GLN C CD 1 ATOM 3821 O OE1 . GLN C 1 55 ? 2.786 15.429 -18.139 1.00 27.13 ? 55 GLN C OE1 1 ATOM 3822 N NE2 . GLN C 1 55 ? 3.517 13.417 -18.823 1.00 25.23 ? 55 GLN C NE2 1 ATOM 3823 N N . GLY C 1 56 ? 1.755 14.690 -14.861 1.00 14.10 ? 56 GLY C N 1 ATOM 3824 C CA . GLY C 1 56 ? 1.208 15.842 -14.181 1.00 14.32 ? 56 GLY C CA 1 ATOM 3825 C C . GLY C 1 56 ? 1.036 15.688 -12.682 1.00 14.07 ? 56 GLY C C 1 ATOM 3826 O O . GLY C 1 56 ? 0.545 16.623 -12.037 1.00 15.79 ? 56 GLY C O 1 ATOM 3827 N N . ARG C 1 57 ? 1.429 14.538 -12.130 1.00 12.39 ? 57 ARG C N 1 ATOM 3828 C CA . ARG C 1 57 ? 1.225 14.245 -10.708 1.00 11.17 ? 57 ARG C CA 1 ATOM 3829 C C . ARG C 1 57 ? 2.485 13.712 -10.054 1.00 10.55 ? 57 ARG C C 1 ATOM 3830 O O . ARG C 1 57 ? 2.879 12.564 -10.273 1.00 11.10 ? 57 ARG C O 1 ATOM 3831 C CB . ARG C 1 57 ? 0.092 13.237 -10.527 1.00 11.24 ? 57 ARG C CB 1 ATOM 3832 C CG . ARG C 1 57 ? -1.199 13.706 -11.201 1.00 12.03 ? 57 ARG C CG 1 ATOM 3833 C CD . ARG C 1 57 ? -2.371 12.825 -10.823 1.00 12.31 ? 57 ARG C CD 1 ATOM 3834 N NE . ARG C 1 57 ? -2.717 12.909 -9.407 1.00 12.45 ? 57 ARG C NE 1 ATOM 3835 C CZ . ARG C 1 57 ? -3.462 13.856 -8.847 1.00 13.19 ? 57 ARG C CZ 1 ATOM 3836 N NH1 . ARG C 1 57 ? -3.950 14.866 -9.571 1.00 14.07 ? 57 ARG C NH1 1 ATOM 3837 N NH2 . ARG C 1 57 ? -3.684 13.807 -7.538 1.00 13.32 ? 57 ARG C NH2 1 ATOM 3838 N N . ASP C 1 58 ? 3.086 14.564 -9.236 1.00 9.37 ? 58 ASP C N 1 ATOM 3839 C CA . ASP C 1 58 ? 4.234 14.216 -8.424 1.00 8.44 ? 58 ASP C CA 1 ATOM 3840 C C . ASP C 1 58 ? 3.760 13.615 -7.097 1.00 7.86 ? 58 ASP C C 1 ATOM 3841 O O . ASP C 1 58 ? 2.713 14.003 -6.572 1.00 8.97 ? 58 ASP C O 1 ATOM 3842 C CB . ASP C 1 58 ? 5.078 15.475 -8.163 1.00 10.04 ? 58 ASP C CB 1 ATOM 3843 C CG . ASP C 1 58 ? 6.282 15.203 -7.294 1.00 10.98 ? 58 ASP C CG 1 ATOM 3844 O OD1 . ASP C 1 58 ? 7.003 14.241 -7.602 1.00 10.35 ? 58 ASP C OD1 1 ATOM 3845 O OD2 . ASP C 1 58 ? 6.493 15.938 -6.295 1.00 12.18 ? 58 ASP C OD2 1 ATOM 3846 N N . ASN C 1 59 ? 4.544 12.675 -6.583 1.00 7.46 ? 59 ASN C N 1 ATOM 3847 C CA . ASN C 1 59 ? 4.281 11.988 -5.302 1.00 8.17 ? 59 ASN C CA 1 ATOM 3848 C C . ASN C 1 59 ? 2.921 11.309 -5.320 1.00 8.24 ? 59 ASN C C 1 ATOM 3849 O O . ASN C 1 59 ? 2.149 11.358 -4.359 1.00 9.04 ? 59 ASN C O 1 ATOM 3850 C CB . ASN C 1 59 ? 4.422 12.920 -4.097 1.00 8.82 ? 59 ASN C CB 1 ATOM 3851 C CG . ASN C 1 59 ? 5.760 13.599 -4.041 1.00 8.20 ? 59 ASN C CG 1 ATOM 3852 O OD1 . ASN C 1 59 ? 6.687 13.203 -4.734 1.00 8.52 ? 59 ASN C OD1 1 ATOM 3853 N ND2 . ASN C 1 59 ? 5.880 14.608 -3.185 1.00 9.47 ? 59 ASN C ND2 1 ATOM 3854 N N . GLU C 1 60 ? 2.644 10.632 -6.426 1.00 7.67 ? 60 GLU C N 1 ATOM 3855 C CA . GLU C 1 60 ? 1.380 9.934 -6.566 1.00 7.72 ? 60 GLU C CA 1 ATOM 3856 C C . GLU C 1 60 ? 1.335 8.706 -5.654 1.00 6.16 ? 60 GLU C C 1 ATOM 3857 O O . GLU C 1 60 ? 0.321 8.443 -4.994 1.00 6.63 ? 60 GLU C O 1 ATOM 3858 C CB . GLU C 1 60 ? 1.149 9.585 -8.031 1.00 8.15 ? 60 GLU C CB 1 ATOM 3859 C CG . GLU C 1 60 ? -0.194 8.918 -8.299 1.00 8.55 ? 60 GLU C CG 1 ATOM 3860 C CD . GLU C 1 60 ? -1.399 9.820 -8.043 1.00 9.02 ? 60 GLU C CD 1 ATOM 3861 O OE1 . GLU C 1 60 ? -1.237 11.065 -7.852 1.00 9.65 ? 60 GLU C OE1 1 ATOM 3862 O OE2 . GLU C 1 60 ? -2.526 9.285 -8.064 1.00 9.51 ? 60 GLU C OE2 1 ATOM 3863 N N . LEU C 1 61 ? 2.439 7.975 -5.600 1.00 6.22 ? 61 LEU C N 1 ATOM 3864 C CA . LEU C 1 61 ? 2.631 6.897 -4.631 1.00 6.45 ? 61 LEU C CA 1 ATOM 3865 C C . LEU C 1 61 ? 4.117 6.904 -4.281 1.00 6.32 ? 61 LEU C C 1 ATOM 3866 O O . LEU C 1 61 ? 4.959 6.690 -5.141 1.00 7.98 ? 61 LEU C O 1 ATOM 3867 C CB . LEU C 1 61 ? 2.157 5.539 -5.189 1.00 8.64 ? 61 LEU C CB 1 ATOM 3868 C CG . LEU C 1 61 ? 2.070 4.297 -4.293 1.00 10.44 ? 61 LEU C CG 1 ATOM 3869 C CD1 . LEU C 1 61 ? 1.558 3.110 -5.130 1.00 10.23 ? 61 LEU C CD1 1 ATOM 3870 C CD2 . LEU C 1 61 ? 3.389 3.920 -3.606 1.00 12.24 ? 61 LEU C CD2 1 ATOM 3871 N N . LEU C 1 62 ? 4.458 7.223 -3.040 1.00 5.69 ? 62 LEU C N 1 ATOM 3872 C CA . LEU C 1 62 ? 5.859 7.385 -2.658 1.00 5.47 ? 62 LEU C CA 1 ATOM 3873 C C . LEU C 1 62 ? 6.079 6.791 -1.282 1.00 4.27 ? 62 LEU C C 1 ATOM 3874 O O . LEU C 1 62 ? 5.347 7.083 -0.353 1.00 5.56 ? 62 LEU C O 1 ATOM 3875 C CB . LEU C 1 62 ? 6.241 8.878 -2.657 1.00 6.35 ? 62 LEU C CB 1 ATOM 3876 C CG . LEU C 1 62 ? 7.590 9.307 -2.056 1.00 6.35 ? 62 LEU C CG 1 ATOM 3877 C CD1 . LEU C 1 62 ? 8.769 8.763 -2.887 1.00 7.44 ? 62 LEU C CD1 1 ATOM 3878 C CD2 . LEU C 1 62 ? 7.690 10.818 -1.922 1.00 6.67 ? 62 LEU C CD2 1 ATOM 3879 N N . VAL C 1 63 ? 7.094 5.947 -1.174 1.00 4.15 ? 63 VAL C N 1 ATOM 3880 C CA . VAL C 1 63 ? 7.534 5.410 0.110 1.00 4.96 ? 63 VAL C CA 1 ATOM 3881 C C . VAL C 1 63 ? 8.853 6.093 0.417 1.00 4.67 ? 63 VAL C C 1 ATOM 3882 O O . VAL C 1 63 ? 9.803 5.988 -0.363 1.00 5.27 ? 63 VAL C O 1 ATOM 3883 C CB . VAL C 1 63 ? 7.710 3.879 0.074 1.00 6.47 ? 63 VAL C CB 1 ATOM 3884 C CG1 . VAL C 1 63 ? 8.150 3.334 1.447 1.00 7.00 ? 63 VAL C CG1 1 ATOM 3885 C CG2 . VAL C 1 63 ? 6.420 3.211 -0.409 1.00 7.90 ? 63 VAL C CG2 1 ATOM 3886 N N . TYR C 1 64 ? 8.906 6.801 1.550 1.00 5.28 ? 64 TYR C N 1 ATOM 3887 C CA . TYR C 1 64 ? 9.972 7.732 1.864 1.00 5.64 ? 64 TYR C CA 1 ATOM 3888 C C . TYR C 1 64 ? 10.442 7.521 3.294 1.00 6.35 ? 64 TYR C C 1 ATOM 3889 O O . TYR C 1 64 ? 9.634 7.284 4.185 1.00 7.46 ? 64 TYR C O 1 ATOM 3890 C CB . TYR C 1 64 ? 9.443 9.150 1.673 1.00 7.16 ? 64 TYR C CB 1 ATOM 3891 C CG . TYR C 1 64 ? 10.491 10.231 1.567 1.00 7.83 ? 64 TYR C CG 1 ATOM 3892 C CD1 . TYR C 1 64 ? 11.218 10.425 0.396 1.00 8.90 ? 64 TYR C CD1 1 ATOM 3893 C CD2 . TYR C 1 64 ? 10.755 11.065 2.644 1.00 8.78 ? 64 TYR C CD2 1 ATOM 3894 C CE1 . TYR C 1 64 ? 12.169 11.417 0.309 1.00 9.71 ? 64 TYR C CE1 1 ATOM 3895 C CE2 . TYR C 1 64 ? 11.677 12.075 2.550 1.00 10.25 ? 64 TYR C CE2 1 ATOM 3896 C CZ . TYR C 1 64 ? 12.403 12.240 1.388 1.00 10.75 ? 64 TYR C CZ 1 ATOM 3897 O OH . TYR C 1 64 ? 13.333 13.268 1.270 1.00 13.06 ? 64 TYR C OH 1 ATOM 3898 N N . LYS C 1 65 ? 11.745 7.589 3.510 1.00 8.07 ? 65 LYS C N 1 ATOM 3899 C CA . LYS C 1 65 ? 12.330 7.426 4.837 1.00 8.47 ? 65 LYS C CA 1 ATOM 3900 C C . LYS C 1 65 ? 12.898 8.776 5.246 1.00 9.81 ? 65 LYS C C 1 ATOM 3901 O O . LYS C 1 65 ? 13.961 9.145 4.817 1.00 10.56 ? 65 LYS C O 1 ATOM 3902 C CB . LYS C 1 65 ? 13.436 6.367 4.758 1.00 10.09 ? 65 LYS C CB 1 ATOM 3903 C CG . LYS C 1 65 ? 13.993 5.988 6.105 1.00 11.76 ? 65 LYS C CG 1 ATOM 3904 C CD . LYS C 1 65 ? 13.116 4.955 6.729 1.00 13.91 ? 65 LYS C CD 1 ATOM 3905 C CE . LYS C 1 65 ? 13.585 4.638 8.123 1.00 14.16 ? 65 LYS C CE 1 ATOM 3906 N NZ . LYS C 1 65 ? 14.955 4.114 8.125 1.00 15.26 ? 65 LYS C NZ 1 ATOM 3907 N N . GLU C 1 66 ? 12.176 9.527 6.074 1.00 12.75 ? 66 GLU C N 1 ATOM 3908 C CA . GLU C 1 66 ? 12.626 10.857 6.492 1.00 16.19 ? 66 GLU C CA 1 ATOM 3909 C C . GLU C 1 66 ? 13.806 10.819 7.464 1.00 14.08 ? 66 GLU C C 1 ATOM 3910 O O . GLU C 1 66 ? 14.693 11.688 7.422 1.00 14.58 ? 66 GLU C O 1 ATOM 3911 C CB . GLU C 1 66 ? 11.482 11.600 7.184 1.00 21.76 ? 66 GLU C CB 1 ATOM 3912 C CG . GLU C 1 66 ? 10.489 12.262 6.263 1.00 26.25 ? 66 GLU C CG 1 ATOM 3913 C CD . GLU C 1 66 ? 10.922 13.645 5.872 1.00 29.92 ? 66 GLU C CD 1 ATOM 3914 O OE1 . GLU C 1 66 ? 12.117 13.974 6.118 1.00 30.43 ? 66 GLU C OE1 1 ATOM 3915 O OE2 . GLU C 1 66 ? 10.065 14.392 5.333 1.00 31.71 ? 66 GLU C OE2 1 ATOM 3916 N N . ARG C 1 67 ? 13.802 9.810 8.331 1.00 11.65 ? 67 ARG C N 1 ATOM 3917 C CA . ARG C 1 67 ? 14.850 9.626 9.334 1.00 11.10 ? 67 ARG C CA 1 ATOM 3918 C C . ARG C 1 67 ? 14.726 8.232 9.936 1.00 9.92 ? 67 ARG C C 1 ATOM 3919 O O . ARG C 1 67 ? 13.735 7.532 9.709 1.00 9.47 ? 67 ARG C O 1 ATOM 3920 C CB . ARG C 1 67 ? 14.744 10.684 10.441 1.00 12.25 ? 67 ARG C CB 1 ATOM 3921 C CG . ARG C 1 67 ? 13.405 10.663 11.166 1.00 14.08 ? 67 ARG C CG 1 ATOM 3922 C CD . ARG C 1 67 ? 13.229 11.812 12.190 1.00 16.55 ? 67 ARG C CD 1 ATOM 3923 N NE . ARG C 1 67 ? 13.382 13.131 11.576 1.00 19.38 ? 67 ARG C NE 1 ATOM 3924 C CZ . ARG C 1 67 ? 12.418 13.816 10.960 1.00 22.57 ? 67 ARG C CZ 1 ATOM 3925 N NH1 . ARG C 1 67 ? 11.188 13.332 10.854 1.00 23.26 ? 67 ARG C NH1 1 ATOM 3926 N NH2 . ARG C 1 67 ? 12.694 15.012 10.439 1.00 24.20 ? 67 ARG C NH2 1 ATOM 3927 N N . VAL C 1 68 ? 15.719 7.830 10.721 1.00 11.23 ? 68 VAL C N 1 ATOM 3928 C CA . VAL C 1 68 ? 15.711 6.513 11.335 1.00 11.56 ? 68 VAL C CA 1 ATOM 3929 C C . VAL C 1 68 ? 14.419 6.360 12.148 1.00 10.53 ? 68 VAL C C 1 ATOM 3930 O O . VAL C 1 68 ? 13.976 7.279 12.846 1.00 12.34 ? 68 VAL C O 1 ATOM 3931 C CB . VAL C 1 68 ? 16.954 6.270 12.232 1.00 14.69 ? 68 VAL C CB 1 ATOM 3932 C CG1 . VAL C 1 68 ? 17.004 7.275 13.357 1.00 15.80 ? 68 VAL C CG1 1 ATOM 3933 C CG2 . VAL C 1 68 ? 16.943 4.868 12.802 1.00 15.91 ? 68 VAL C CG2 1 ATOM 3934 N N . GLY C 1 69 ? 13.806 5.195 12.019 1.00 9.39 ? 69 GLY C N 1 ATOM 3935 C CA . GLY C 1 69 ? 12.635 4.860 12.798 1.00 9.39 ? 69 GLY C CA 1 ATOM 3936 C C . GLY C 1 69 ? 11.312 5.379 12.266 1.00 8.95 ? 69 GLY C C 1 ATOM 3937 O O . GLY C 1 69 ? 10.302 5.197 12.939 1.00 10.49 ? 69 GLY C O 1 ATOM 3938 N N . GLU C 1 70 ? 11.297 6.014 11.096 1.00 7.77 ? 70 GLU C N 1 ATOM 3939 C CA . GLU C 1 70 ? 10.089 6.683 10.595 1.00 7.97 ? 70 GLU C CA 1 ATOM 3940 C C . GLU C 1 70 ? 9.888 6.426 9.123 1.00 7.24 ? 70 GLU C C 1 ATOM 3941 O O . GLU C 1 70 ? 10.745 6.758 8.300 1.00 9.75 ? 70 GLU C O 1 ATOM 3942 C CB . GLU C 1 70 ? 10.144 8.199 10.844 1.00 10.00 ? 70 GLU C CB 1 ATOM 3943 C CG . GLU C 1 70 ? 10.241 8.574 12.337 1.00 13.62 ? 70 GLU C CG 1 ATOM 3944 C CD . GLU C 1 70 ? 10.154 10.081 12.607 1.00 17.82 ? 70 GLU C CD 1 ATOM 3945 O OE1 . GLU C 1 70 ? 9.885 10.830 11.660 1.00 18.48 ? 70 GLU C OE1 1 ATOM 3946 O OE2 . GLU C 1 70 ? 10.356 10.517 13.772 1.00 20.77 ? 70 GLU C OE2 1 ATOM 3947 N N . TYR C 1 71 ? 8.754 5.833 8.804 1.00 4.98 ? 71 TYR C N 1 ATOM 3948 C CA . TYR C 1 71 ? 8.422 5.470 7.428 1.00 4.66 ? 71 TYR C CA 1 ATOM 3949 C C . TYR C 1 71 ? 7.198 6.252 6.975 1.00 4.65 ? 71 TYR C C 1 ATOM 3950 O O . TYR C 1 71 ? 6.190 6.307 7.690 1.00 6.26 ? 71 TYR C O 1 ATOM 3951 C CB . TYR C 1 71 ? 8.138 3.964 7.358 1.00 6.53 ? 71 TYR C CB 1 ATOM 3952 C CG . TYR C 1 71 ? 9.382 3.148 7.572 1.00 7.97 ? 71 TYR C CG 1 ATOM 3953 C CD1 . TYR C 1 71 ? 9.806 2.783 8.848 1.00 8.30 ? 71 TYR C CD1 1 ATOM 3954 C CD2 . TYR C 1 71 ? 10.160 2.782 6.502 1.00 9.16 ? 71 TYR C CD2 1 ATOM 3955 C CE1 . TYR C 1 71 ? 10.956 2.054 9.028 1.00 8.87 ? 71 TYR C CE1 1 ATOM 3956 C CE2 . TYR C 1 71 ? 11.314 2.048 6.673 1.00 10.28 ? 71 TYR C CE2 1 ATOM 3957 C CZ . TYR C 1 71 ? 11.724 1.718 7.937 1.00 9.91 ? 71 TYR C CZ 1 ATOM 3958 O OH . TYR C 1 71 ? 12.894 1.005 8.078 1.00 11.13 ? 71 TYR C OH 1 ATOM 3959 N N . SER C 1 72 ? 7.271 6.837 5.781 1.00 4.87 ? 72 SER C N 1 ATOM 3960 C CA . SER C 1 72 ? 6.159 7.612 5.224 1.00 5.77 ? 72 SER C CA 1 ATOM 3961 C C . SER C 1 72 ? 5.624 7.014 3.935 1.00 5.50 ? 72 SER C C 1 ATOM 3962 O O . SER C 1 72 ? 6.392 6.511 3.107 1.00 5.69 ? 72 SER C O 1 ATOM 3963 C CB . SER C 1 72 ? 6.575 9.057 4.951 1.00 7.49 ? 72 SER C CB 1 ATOM 3964 O OG . SER C 1 72 ? 6.955 9.708 6.154 1.00 8.67 ? 72 SER C OG 1 ATOM 3965 N N . LEU C 1 73 ? 4.310 7.076 3.782 1.00 4.56 ? 73 LEU C N 1 ATOM 3966 C CA . LEU C 1 73 ? 3.641 6.769 2.537 1.00 4.15 ? 73 LEU C CA 1 ATOM 3967 C C . LEU C 1 73 ? 2.915 8.015 2.072 1.00 4.53 ? 73 LEU C C 1 ATOM 3968 O O . LEU C 1 73 ? 2.169 8.610 2.823 1.00 6.03 ? 73 LEU C O 1 ATOM 3969 C CB . LEU C 1 73 ? 2.633 5.634 2.718 1.00 4.32 ? 73 LEU C CB 1 ATOM 3970 C CG . LEU C 1 73 ? 1.796 5.309 1.471 1.00 5.53 ? 73 LEU C CG 1 ATOM 3971 C CD1 . LEU C 1 73 ? 2.631 4.663 0.398 1.00 7.23 ? 73 LEU C CD1 1 ATOM 3972 C CD2 . LEU C 1 73 ? 0.619 4.395 1.854 1.00 6.69 ? 73 LEU C CD2 1 ATOM 3973 N N . TYR C 1 74 ? 3.142 8.385 0.816 1.00 4.97 ? 74 TYR C N 1 ATOM 3974 C CA . TYR C 1 74 ? 2.381 9.441 0.163 1.00 5.61 ? 74 TYR C CA 1 ATOM 3975 C C . TYR C 1 74 ? 1.441 8.815 -0.848 1.00 5.87 ? 74 TYR C C 1 ATOM 3976 O O . TYR C 1 74 ? 1.840 7.939 -1.621 1.00 6.57 ? 74 TYR C O 1 ATOM 3977 C CB . TYR C 1 74 ? 3.300 10.395 -0.586 1.00 6.97 ? 74 TYR C CB 1 ATOM 3978 C CG . TYR C 1 74 ? 4.213 11.223 0.280 1.00 7.47 ? 74 TYR C CG 1 ATOM 3979 C CD1 . TYR C 1 74 ? 5.314 10.646 0.905 1.00 7.38 ? 74 TYR C CD1 1 ATOM 3980 C CD2 . TYR C 1 74 ? 3.994 12.583 0.463 1.00 10.24 ? 74 TYR C CD2 1 ATOM 3981 C CE1 . TYR C 1 74 ? 6.157 11.377 1.693 1.00 9.33 ? 74 TYR C CE1 1 ATOM 3982 C CE2 . TYR C 1 74 ? 4.847 13.339 1.250 1.00 11.61 ? 74 TYR C CE2 1 ATOM 3983 C CZ . TYR C 1 74 ? 5.932 12.731 1.869 1.00 12.16 ? 74 TYR C CZ 1 ATOM 3984 O OH . TYR C 1 74 ? 6.793 13.454 2.664 1.00 15.45 ? 74 TYR C OH 1 ATOM 3985 N N . ILE C 1 75 ? 0.212 9.297 -0.850 1.00 6.31 ? 75 ILE C N 1 ATOM 3986 C CA . ILE C 1 75 ? -0.792 8.915 -1.831 1.00 6.13 ? 75 ILE C CA 1 ATOM 3987 C C . ILE C 1 75 ? -1.356 10.215 -2.383 1.00 6.94 ? 75 ILE C C 1 ATOM 3988 O O . ILE C 1 75 ? -1.967 11.006 -1.662 1.00 6.57 ? 75 ILE C O 1 ATOM 3989 C CB . ILE C 1 75 ? -1.956 8.076 -1.220 1.00 6.37 ? 75 ILE C CB 1 ATOM 3990 C CG1 . ILE C 1 75 ? -1.452 6.739 -0.632 1.00 7.30 ? 75 ILE C CG1 1 ATOM 3991 C CG2 . ILE C 1 75 ? -3.040 7.824 -2.298 1.00 7.98 ? 75 ILE C CG2 1 ATOM 3992 C CD1 . ILE C 1 75 ? -0.989 5.723 -1.643 1.00 9.37 ? 75 ILE C CD1 1 ATOM 3993 N N . GLY C 1 76 ? -1.123 10.477 -3.664 1.00 7.96 ? 76 GLY C N 1 ATOM 3994 C CA . GLY C 1 76 ? -1.642 11.708 -4.277 1.00 7.73 ? 76 GLY C CA 1 ATOM 3995 C C . GLY C 1 76 ? -1.239 12.974 -3.514 1.00 8.85 ? 76 GLY C C 1 ATOM 3996 O O . GLY C 1 76 ? -2.052 13.863 -3.279 1.00 9.95 ? 76 GLY C O 1 ATOM 3997 N N . ARG C 1 77 ? 0.027 13.014 -3.106 1.00 9.04 ? 77 ARG C N 1 ATOM 3998 C CA . ARG C 1 77 ? 0.672 14.104 -2.346 1.00 8.50 ? 77 ARG C CA 1 ATOM 3999 C C . ARG C 1 77 ? 0.437 14.150 -0.853 1.00 7.67 ? 77 ARG C C 1 ATOM 4000 O O . ARG C 1 77 ? 1.218 14.789 -0.159 1.00 9.24 ? 77 ARG C O 1 ATOM 4001 C CB . ARG C 1 77 ? 0.378 15.479 -2.928 1.00 11.35 ? 77 ARG C CB 1 ATOM 4002 C CG . ARG C 1 77 ? 0.804 15.515 -4.390 1.00 13.36 ? 77 ARG C CG 1 ATOM 4003 C CD . ARG C 1 77 ? 1.011 16.900 -4.898 1.00 13.65 ? 77 ARG C CD 1 ATOM 4004 N NE . ARG C 1 77 ? 2.029 17.638 -4.183 1.00 13.95 ? 77 ARG C NE 1 ATOM 4005 C CZ . ARG C 1 77 ? 3.331 17.556 -4.427 1.00 15.16 ? 77 ARG C CZ 1 ATOM 4006 N NH1 . ARG C 1 77 ? 3.800 16.733 -5.355 1.00 15.60 ? 77 ARG C NH1 1 ATOM 4007 N NH2 . ARG C 1 77 ? 4.173 18.290 -3.718 1.00 16.56 ? 77 ARG C NH2 1 ATOM 4008 N N . HIS C 1 78 ? -0.620 13.507 -0.371 1.00 6.61 ? 78 HIS C N 1 ATOM 4009 C CA . HIS C 1 78 ? -0.889 13.470 1.050 1.00 5.96 ? 78 HIS C CA 1 ATOM 4010 C C . HIS C 1 78 ? -0.062 12.377 1.685 1.00 6.48 ? 78 HIS C C 1 ATOM 4011 O O . HIS C 1 78 ? 0.289 11.402 1.047 1.00 7.24 ? 78 HIS C O 1 ATOM 4012 C CB . HIS C 1 78 ? -2.369 13.229 1.247 1.00 6.75 ? 78 HIS C CB 1 ATOM 4013 C CG . HIS C 1 78 ? -3.192 14.412 0.847 1.00 8.69 ? 78 HIS C CG 1 ATOM 4014 N ND1 . HIS C 1 78 ? -3.830 15.209 1.769 1.00 11.02 ? 78 HIS C ND1 1 ATOM 4015 C CD2 . HIS C 1 78 ? -3.418 14.978 -0.360 1.00 9.70 ? 78 HIS C CD2 1 ATOM 4016 C CE1 . HIS C 1 78 ? -4.444 16.196 1.141 1.00 11.12 ? 78 HIS C CE1 1 ATOM 4017 N NE2 . HIS C 1 78 ? -4.217 16.073 -0.156 1.00 11.01 ? 78 HIS C NE2 1 ATOM 4018 N N . LYS C 1 79 ? 0.288 12.548 2.943 1.00 7.06 ? 79 LYS C N 1 ATOM 4019 C CA . LYS C 1 79 ? 1.155 11.570 3.574 1.00 8.32 ? 79 LYS C CA 1 ATOM 4020 C C . LYS C 1 79 ? 0.680 11.097 4.922 1.00 7.25 ? 79 LYS C C 1 ATOM 4021 O O . LYS C 1 79 ? -0.094 11.773 5.615 1.00 8.19 ? 79 LYS C O 1 ATOM 4022 C CB . LYS C 1 79 ? 2.584 12.076 3.663 1.00 13.67 ? 79 LYS C CB 1 ATOM 4023 C CG . LYS C 1 79 ? 2.828 13.028 4.766 1.00 16.48 ? 79 LYS C CG 1 ATOM 4024 C CD . LYS C 1 79 ? 4.333 13.250 5.019 1.00 21.09 ? 79 LYS C CD 1 ATOM 4025 C CE . LYS C 1 79 ? 4.563 13.785 6.417 1.00 24.92 ? 79 LYS C CE 1 ATOM 4026 N NZ . LYS C 1 79 ? 5.609 14.851 6.453 1.00 27.26 ? 79 LYS C NZ 1 ATOM 4027 N N . VAL C 1 80 ? 1.139 9.906 5.253 1.00 6.06 ? 80 VAL C N 1 ATOM 4028 C CA . VAL C 1 80 ? 1.090 9.403 6.615 1.00 5.62 ? 80 VAL C CA 1 ATOM 4029 C C . VAL C 1 80 ? 2.460 8.895 6.987 1.00 5.53 ? 80 VAL C C 1 ATOM 4030 O O . VAL C 1 80 ? 3.246 8.499 6.133 1.00 6.25 ? 80 VAL C O 1 ATOM 4031 C CB . VAL C 1 80 ? 0.064 8.283 6.796 1.00 6.16 ? 80 VAL C CB 1 ATOM 4032 C CG1 . VAL C 1 80 ? -1.363 8.818 6.632 1.00 7.74 ? 80 VAL C CG1 1 ATOM 4033 C CG2 . VAL C 1 80 ? 0.358 7.117 5.863 1.00 6.67 ? 80 VAL C CG2 1 ATOM 4034 N N . THR C 1 81 ? 2.765 8.927 8.276 1.00 6.37 ? 81 THR C N 1 ATOM 4035 C CA . THR C 1 81 ? 4.056 8.476 8.805 1.00 6.43 ? 81 THR C CA 1 ATOM 4036 C C . THR C 1 81 ? 3.807 7.605 10.015 1.00 6.00 ? 81 THR C C 1 ATOM 4037 O O . THR C 1 81 ? 2.985 7.961 10.881 1.00 7.11 ? 81 THR C O 1 ATOM 4038 C CB . THR C 1 81 ? 4.942 9.675 9.206 1.00 8.17 ? 81 THR C CB 1 ATOM 4039 O OG1 . THR C 1 81 ? 5.146 10.519 8.078 1.00 9.93 ? 81 THR C OG1 1 ATOM 4040 C CG2 . THR C 1 81 ? 6.292 9.234 9.733 1.00 8.84 ? 81 THR C CG2 1 ATOM 4041 N N . SER C 1 82 ? 4.504 6.474 10.100 1.00 6.01 ? 82 SER C N 1 ATOM 4042 C CA . SER C 1 82 ? 4.476 5.656 11.307 1.00 7.01 ? 82 SER C CA 1 ATOM 4043 C C . SER C 1 82 ? 5.871 5.327 11.781 1.00 6.98 ? 82 SER C C 1 ATOM 4044 O O . SER C 1 82 ? 6.818 5.280 11.016 1.00 6.97 ? 82 SER C O 1 ATOM 4045 C CB . SER C 1 82 ? 3.598 4.402 11.136 1.00 10.27 ? 82 SER C CB 1 ATOM 4046 O OG . SER C 1 82 ? 2.216 4.795 11.188 1.00 11.01 ? 82 SER C OG 1 ATOM 4047 N N . LYS C 1 83 ? 5.978 5.125 13.083 1.00 6.08 ? 83 LYS C N 1 ATOM 4048 C CA . LYS C 1 83 ? 7.256 4.949 13.761 1.00 5.97 ? 83 LYS C CA 1 ATOM 4049 C C . LYS C 1 83 ? 7.508 3.509 14.184 1.00 5.74 ? 83 LYS C C 1 ATOM 4050 O O . LYS C 1 83 ? 6.575 2.735 14.418 1.00 6.67 ? 83 LYS C O 1 ATOM 4051 C CB . LYS C 1 83 ? 7.310 5.851 14.999 1.00 8.27 ? 83 LYS C CB 1 ATOM 4052 C CG . LYS C 1 83 ? 7.182 7.320 14.658 1.00 12.58 ? 83 LYS C CG 1 ATOM 4053 C CD . LYS C 1 83 ? 7.302 8.227 15.866 1.00 17.30 ? 83 LYS C CD 1 ATOM 4054 C CE . LYS C 1 83 ? 7.166 9.681 15.425 1.00 21.19 ? 83 LYS C CE 1 ATOM 4055 N NZ . LYS C 1 83 ? 7.911 10.635 16.289 1.00 23.28 ? 83 LYS C NZ 1 ATOM 4056 N N . VAL C 1 84 ? 8.781 3.152 14.306 1.00 6.05 ? 84 VAL C N 1 ATOM 4057 C CA . VAL C 1 84 ? 9.171 1.808 14.719 1.00 7.04 ? 84 VAL C CA 1 ATOM 4058 C C . VAL C 1 84 ? 10.513 1.873 15.430 1.00 7.38 ? 84 VAL C C 1 ATOM 4059 O O . VAL C 1 84 ? 11.345 2.746 15.146 1.00 8.29 ? 84 VAL C O 1 ATOM 4060 C CB . VAL C 1 84 ? 9.237 0.843 13.506 1.00 8.80 ? 84 VAL C CB 1 ATOM 4061 C CG1 . VAL C 1 84 ? 10.362 1.236 12.570 1.00 10.35 ? 84 VAL C CG1 1 ATOM 4062 C CG2 . VAL C 1 84 ? 9.373 -0.625 13.973 1.00 10.38 ? 84 VAL C CG2 1 ATOM 4063 N N . ILE C 1 85 ? 10.731 0.946 16.349 1.00 8.53 ? 85 ILE C N 1 ATOM 4064 C CA . ILE C 1 85 ? 12.033 0.765 16.952 1.00 10.24 ? 85 ILE C CA 1 ATOM 4065 C C . ILE C 1 85 ? 12.884 -0.075 16.002 1.00 10.91 ? 85 ILE C C 1 ATOM 4066 O O . ILE C 1 85 ? 12.504 -1.190 15.645 1.00 12.22 ? 85 ILE C O 1 ATOM 4067 C CB . ILE C 1 85 ? 11.905 0.011 18.270 1.00 12.28 ? 85 ILE C CB 1 ATOM 4068 C CG1 . ILE C 1 85 ? 11.031 0.796 19.243 1.00 13.99 ? 85 ILE C CG1 1 ATOM 4069 C CG2 . ILE C 1 85 ? 13.307 -0.303 18.841 1.00 13.35 ? 85 ILE C CG2 1 ATOM 4070 C CD1 . ILE C 1 85 ? 10.558 -0.036 20.442 1.00 15.11 ? 85 ILE C CD1 1 ATOM 4071 N N . GLU C 1 86 ? 14.024 0.459 15.580 1.00 10.98 ? 86 GLU C N 1 ATOM 4072 C CA . GLU C 1 86 ? 14.906 -0.293 14.679 1.00 13.21 ? 86 GLU C CA 1 ATOM 4073 C C . GLU C 1 86 ? 16.349 0.033 14.997 1.00 14.21 ? 86 GLU C C 1 ATOM 4074 O O . GLU C 1 86 ? 16.647 1.084 15.531 1.00 15.60 ? 86 GLU C O 1 ATOM 4075 C CB . GLU C 1 86 ? 14.592 -0.026 13.186 1.00 16.13 ? 86 GLU C CB 1 ATOM 4076 C CG . GLU C 1 86 ? 14.691 1.418 12.753 1.00 17.48 ? 86 GLU C CG 1 ATOM 4077 C CD . GLU C 1 86 ? 14.362 1.641 11.265 1.00 17.08 ? 86 GLU C CD 1 ATOM 4078 O OE1 . GLU C 1 86 ? 13.705 0.748 10.625 1.00 16.10 ? 86 GLU C OE1 1 ATOM 4079 O OE2 . GLU C 1 86 ? 14.776 2.726 10.736 1.00 15.25 ? 86 GLU C OE2 1 ATOM 4080 N N . LYS C 1 87 ? 17.237 -0.901 14.696 1.00 14.15 ? 87 LYS C N 1 ATOM 4081 C CA . LYS C 1 87 ? 18.664 -0.670 14.832 1.00 14.09 ? 87 LYS C CA 1 ATOM 4082 C C . LYS C 1 87 ? 19.168 0.075 13.619 1.00 12.51 ? 87 LYS C C 1 ATOM 4083 O O . LYS C 1 87 ? 18.517 0.078 12.576 1.00 12.80 ? 87 LYS C O 1 ATOM 4084 C CB . LYS C 1 87 ? 19.398 -2.005 14.977 1.00 16.24 ? 87 LYS C CB 1 ATOM 4085 C CG . LYS C 1 87 ? 18.975 -2.783 16.209 1.00 20.40 ? 87 LYS C CG 1 ATOM 4086 C CD . LYS C 1 87 ? 19.661 -4.127 16.277 1.00 24.56 ? 87 LYS C CD 1 ATOM 4087 C CE . LYS C 1 87 ? 19.280 -4.842 17.554 1.00 27.80 ? 87 LYS C CE 1 ATOM 4088 N NZ . LYS C 1 87 ? 19.652 -6.290 17.539 1.00 30.10 ? 87 LYS C NZ 1 ATOM 4089 N N . PHE C 1 88 ? 20.309 0.729 13.764 1.00 11.19 ? 88 PHE C N 1 ATOM 4090 C CA . PHE C 1 88 ? 20.907 1.475 12.662 1.00 10.77 ? 88 PHE C CA 1 ATOM 4091 C C . PHE C 1 88 ? 22.423 1.330 12.679 1.00 9.91 ? 88 PHE C C 1 ATOM 4092 O O . PHE C 1 88 ? 23.056 1.610 13.681 1.00 11.06 ? 88 PHE C O 1 ATOM 4093 C CB . PHE C 1 88 ? 20.578 2.979 12.724 1.00 11.66 ? 88 PHE C CB 1 ATOM 4094 C CG . PHE C 1 88 ? 21.361 3.764 11.713 1.00 11.54 ? 88 PHE C CG 1 ATOM 4095 C CD1 . PHE C 1 88 ? 21.005 3.726 10.377 1.00 11.51 ? 88 PHE C CD1 1 ATOM 4096 C CD2 . PHE C 1 88 ? 22.495 4.463 12.077 1.00 11.83 ? 88 PHE C CD2 1 ATOM 4097 C CE1 . PHE C 1 88 ? 21.749 4.406 9.430 1.00 12.12 ? 88 PHE C CE1 1 ATOM 4098 C CE2 . PHE C 1 88 ? 23.245 5.130 11.134 1.00 12.41 ? 88 PHE C CE2 1 ATOM 4099 C CZ . PHE C 1 88 ? 22.865 5.090 9.802 1.00 12.17 ? 88 PHE C CZ 1 ATOM 4100 N N . PRO C 1 89 ? 23.035 0.926 11.559 1.00 8.61 ? 89 PRO C N 1 ATOM 4101 C CA . PRO C 1 89 ? 22.401 0.462 10.321 1.00 8.05 ? 89 PRO C CA 1 ATOM 4102 C C . PRO C 1 89 ? 21.923 -0.965 10.471 1.00 8.61 ? 89 PRO C C 1 ATOM 4103 O O . PRO C 1 89 ? 22.495 -1.729 11.245 1.00 10.85 ? 89 PRO C O 1 ATOM 4104 C CB . PRO C 1 89 ? 23.544 0.495 9.288 1.00 9.51 ? 89 PRO C CB 1 ATOM 4105 C CG . PRO C 1 89 ? 24.655 1.171 9.933 1.00 10.78 ? 89 PRO C CG 1 ATOM 4106 C CD . PRO C 1 89 ? 24.490 1.064 11.401 1.00 9.41 ? 89 PRO C CD 1 ATOM 4107 N N . ALA C 1 90 ? 20.928 -1.338 9.688 1.00 8.74 ? 90 ALA C N 1 ATOM 4108 C CA . ALA C 1 90 ? 20.432 -2.696 9.679 1.00 8.82 ? 90 ALA C CA 1 ATOM 4109 C C . ALA C 1 90 ? 19.632 -2.947 8.430 1.00 7.84 ? 90 ALA C C 1 ATOM 4110 O O . ALA C 1 90 ? 18.900 -2.085 7.992 1.00 7.99 ? 90 ALA C O 1 ATOM 4111 C CB . ALA C 1 90 ? 19.534 -2.950 10.864 1.00 10.10 ? 90 ALA C CB 1 ATOM 4112 N N . PRO C 1 91 ? 19.743 -4.153 7.875 1.00 6.73 ? 91 PRO C N 1 ATOM 4113 C CA . PRO C 1 91 ? 18.811 -4.553 6.819 1.00 7.54 ? 91 PRO C CA 1 ATOM 4114 C C . PRO C 1 91 ? 17.383 -4.487 7.332 1.00 6.90 ? 91 PRO C C 1 ATOM 4115 O O . PRO C 1 91 ? 17.115 -4.699 8.521 1.00 7.95 ? 91 PRO C O 1 ATOM 4116 C CB . PRO C 1 91 ? 19.208 -5.991 6.523 1.00 9.24 ? 91 PRO C CB 1 ATOM 4117 C CG . PRO C 1 91 ? 20.601 -6.128 7.006 1.00 8.74 ? 91 PRO C CG 1 ATOM 4118 C CD . PRO C 1 91 ? 20.708 -5.214 8.196 1.00 7.98 ? 91 PRO C CD 1 ATOM 4119 N N . VAL C 1 92 ? 16.462 -4.226 6.425 1.00 5.74 ? 92 VAL C N 1 ATOM 4120 C CA . VAL C 1 92 ? 15.055 -4.172 6.792 1.00 6.26 ? 92 VAL C CA 1 ATOM 4121 C C . VAL C 1 92 ? 14.195 -4.783 5.702 1.00 4.95 ? 92 VAL C C 1 ATOM 4122 O O . VAL C 1 92 ? 14.519 -4.688 4.514 1.00 7.19 ? 92 VAL C O 1 ATOM 4123 C CB . VAL C 1 92 ? 14.606 -2.711 7.053 1.00 7.42 ? 92 VAL C CB 1 ATOM 4124 C CG1 . VAL C 1 92 ? 14.596 -1.881 5.765 1.00 8.84 ? 92 VAL C CG1 1 ATOM 4125 C CG2 . VAL C 1 92 ? 13.260 -2.657 7.771 1.00 7.84 ? 92 VAL C CG2 1 ATOM 4126 N N . HIS C 1 93 ? 13.109 -5.413 6.111 1.00 3.99 ? 93 HIS C N 1 ATOM 4127 C CA . HIS C 1 93 ? 12.053 -5.804 5.202 1.00 4.75 ? 93 HIS C CA 1 ATOM 4128 C C . HIS C 1 93 ? 10.863 -4.879 5.452 1.00 3.86 ? 93 HIS C C 1 ATOM 4129 O O . HIS C 1 93 ? 10.422 -4.716 6.589 1.00 5.35 ? 93 HIS C O 1 ATOM 4130 C CB . HIS C 1 93 ? 11.667 -7.260 5.435 1.00 5.53 ? 93 HIS C CB 1 ATOM 4131 C CG . HIS C 1 93 ? 10.647 -7.755 4.478 1.00 6.39 ? 93 HIS C CG 1 ATOM 4132 N ND1 . HIS C 1 93 ? 9.298 -7.781 4.764 1.00 6.53 ? 93 HIS C ND1 1 ATOM 4133 C CD2 . HIS C 1 93 ? 10.775 -8.168 3.197 1.00 7.06 ? 93 HIS C CD2 1 ATOM 4134 C CE1 . HIS C 1 93 ? 8.648 -8.232 3.705 1.00 6.56 ? 93 HIS C CE1 1 ATOM 4135 N NE2 . HIS C 1 93 ? 9.521 -8.469 2.744 1.00 7.62 ? 93 HIS C NE2 1 ATOM 4136 N N . ILE C 1 94 ? 10.364 -4.276 4.396 1.00 4.55 ? 94 ILE C N 1 ATOM 4137 C CA . ILE C 1 94 ? 9.298 -3.282 4.480 1.00 5.85 ? 94 ILE C CA 1 ATOM 4138 C C . ILE C 1 94 ? 8.149 -3.748 3.626 1.00 6.64 ? 94 ILE C C 1 ATOM 4139 O O . ILE C 1 94 ? 8.335 -4.082 2.463 1.00 7.80 ? 94 ILE C O 1 ATOM 4140 C CB . ILE C 1 94 ? 9.790 -1.926 3.941 1.00 8.01 ? 94 ILE C CB 1 ATOM 4141 C CG1 . ILE C 1 94 ? 10.956 -1.394 4.782 1.00 9.40 ? 94 ILE C CG1 1 ATOM 4142 C CG2 . ILE C 1 94 ? 8.625 -0.884 3.854 1.00 9.53 ? 94 ILE C CG2 1 ATOM 4143 C CD1 . ILE C 1 94 ? 11.803 -0.360 4.060 1.00 11.33 ? 94 ILE C CD1 1 ATOM 4144 N N A CYS C 1 95 ? 6.951 -3.828 4.205 0.51 5.99 ? 95 CYS C N 1 ATOM 4145 N N B CYS C 1 95 ? 6.952 -3.658 4.183 0.49 6.85 ? 95 CYS C N 1 ATOM 4146 C CA A CYS C 1 95 ? 5.732 -3.956 3.421 0.51 5.36 ? 95 CYS C CA 1 ATOM 4147 C CA B CYS C 1 95 ? 5.750 -3.940 3.447 0.49 7.20 ? 95 CYS C CA 1 ATOM 4148 C C A CYS C 1 95 ? 4.878 -2.740 3.739 0.51 4.64 ? 95 CYS C C 1 ATOM 4149 C C B CYS C 1 95 ? 4.750 -2.850 3.772 0.49 5.94 ? 95 CYS C C 1 ATOM 4150 O O A CYS C 1 95 ? 4.883 -2.233 4.864 0.51 5.05 ? 95 CYS C O 1 ATOM 4151 O O B CYS C 1 95 ? 4.528 -2.537 4.939 0.49 6.57 ? 95 CYS C O 1 ATOM 4152 C CB A CYS C 1 95 ? 4.932 -5.231 3.746 0.51 6.94 ? 95 CYS C CB 1 ATOM 4153 C CB B CYS C 1 95 ? 5.207 -5.297 3.856 0.49 9.97 ? 95 CYS C CB 1 ATOM 4154 S SG A CYS C 1 95 ? 5.591 -6.848 3.150 0.51 9.81 ? 95 CYS C SG 1 ATOM 4155 S SG B CYS C 1 95 ? 3.735 -5.777 2.997 0.49 12.79 ? 95 CYS C SG 1 ATOM 4156 N N . VAL C 1 96 ? 4.137 -2.274 2.750 1.00 4.93 ? 96 VAL C N 1 ATOM 4157 C CA . VAL C 1 96 ? 3.118 -1.261 2.953 1.00 5.50 ? 96 VAL C CA 1 ATOM 4158 C C . VAL C 1 96 ? 1.928 -1.571 2.073 1.00 4.92 ? 96 VAL C C 1 ATOM 4159 O O . VAL C 1 96 ? 2.064 -1.890 0.904 1.00 5.51 ? 96 VAL C O 1 ATOM 4160 C CB . VAL C 1 96 ? 3.686 0.151 2.708 1.00 7.86 ? 96 VAL C CB 1 ATOM 4161 C CG1 . VAL C 1 96 ? 4.183 0.280 1.276 1.00 9.56 ? 96 VAL C CG1 1 ATOM 4162 C CG2 . VAL C 1 96 ? 2.674 1.238 3.084 1.00 9.70 ? 96 VAL C CG2 1 ATOM 4163 N N . SER C 1 97 ? 0.739 -1.475 2.638 1.00 5.64 ? 97 SER C N 1 ATOM 4164 C CA . SER C 1 97 ? -0.479 -1.621 1.867 1.00 5.57 ? 97 SER C CA 1 ATOM 4165 C C . SER C 1 97 ? -1.364 -0.407 2.048 1.00 5.50 ? 97 SER C C 1 ATOM 4166 O O . SER C 1 97 ? -1.264 0.303 3.039 1.00 6.53 ? 97 SER C O 1 ATOM 4167 C CB . SER C 1 97 ? -1.232 -2.879 2.268 1.00 6.77 ? 97 SER C CB 1 ATOM 4168 O OG . SER C 1 97 ? -1.763 -2.755 3.578 1.00 7.90 ? 97 SER C OG 1 ATOM 4169 N N . TRP C 1 98 ? -2.248 -0.191 1.090 1.00 5.90 ? 98 TRP C N 1 ATOM 4170 C CA . TRP C 1 98 ? -3.245 0.855 1.168 1.00 5.94 ? 98 TRP C CA 1 ATOM 4171 C C . TRP C 1 98 ? -4.508 0.392 0.479 1.00 5.51 ? 98 TRP C C 1 ATOM 4172 O O . TRP C 1 98 ? -4.466 -0.287 -0.537 1.00 6.31 ? 98 TRP C O 1 ATOM 4173 C CB . TRP C 1 98 ? -2.715 2.148 0.553 1.00 6.30 ? 98 TRP C CB 1 ATOM 4174 C CG . TRP C 1 98 ? -3.684 3.275 0.527 1.00 6.55 ? 98 TRP C CG 1 ATOM 4175 C CD1 . TRP C 1 98 ? -3.990 4.121 1.547 1.00 6.45 ? 98 TRP C CD1 1 ATOM 4176 C CD2 . TRP C 1 98 ? -4.446 3.705 -0.597 1.00 7.07 ? 98 TRP C CD2 1 ATOM 4177 N NE1 . TRP C 1 98 ? -4.907 5.049 1.129 1.00 6.99 ? 98 TRP C NE1 1 ATOM 4178 C CE2 . TRP C 1 98 ? -5.199 4.815 -0.188 1.00 7.18 ? 98 TRP C CE2 1 ATOM 4179 C CE3 . TRP C 1 98 ? -4.552 3.263 -1.921 1.00 8.04 ? 98 TRP C CE3 1 ATOM 4180 C CZ2 . TRP C 1 98 ? -6.049 5.494 -1.053 1.00 8.42 ? 98 TRP C CZ2 1 ATOM 4181 C CZ3 . TRP C 1 98 ? -5.408 3.930 -2.769 1.00 9.74 ? 98 TRP C CZ3 1 ATOM 4182 C CH2 . TRP C 1 98 ? -6.140 5.035 -2.328 1.00 9.69 ? 98 TRP C CH2 1 ATOM 4183 N N . GLU C 1 99 ? -5.635 0.810 1.035 1.00 7.00 ? 99 GLU C N 1 ATOM 4184 C CA . GLU C 1 99 ? -6.956 0.416 0.582 1.00 8.55 ? 99 GLU C CA 1 ATOM 4185 C C . GLU C 1 99 ? -7.795 1.679 0.419 1.00 7.86 ? 99 GLU C C 1 ATOM 4186 O O . GLU C 1 99 ? -8.064 2.363 1.406 1.00 8.25 ? 99 GLU C O 1 ATOM 4187 C CB . GLU C 1 99 ? -7.561 -0.449 1.690 1.00 10.41 ? 99 GLU C CB 1 ATOM 4188 C CG . GLU C 1 99 ? -8.951 -0.928 1.473 1.00 14.43 ? 99 GLU C CG 1 ATOM 4189 C CD . GLU C 1 99 ? -9.373 -1.798 2.635 1.00 16.71 ? 99 GLU C CD 1 ATOM 4190 O OE1 . GLU C 1 99 ? -9.613 -1.256 3.738 1.00 15.94 ? 99 GLU C OE1 1 ATOM 4191 O OE2 . GLU C 1 99 ? -9.421 -3.031 2.470 1.00 19.11 ? 99 GLU C OE2 1 ATOM 4192 N N . SER C 1 100 ? -8.245 1.991 -0.790 1.00 7.90 ? 100 SER C N 1 ATOM 4193 C CA . SER C 1 100 ? -9.024 3.209 -1.023 1.00 8.88 ? 100 SER C CA 1 ATOM 4194 C C . SER C 1 100 ? -10.301 3.263 -0.193 1.00 8.40 ? 100 SER C C 1 ATOM 4195 O O . SER C 1 100 ? -10.661 4.314 0.328 1.00 8.59 ? 100 SER C O 1 ATOM 4196 C CB . SER C 1 100 ? -9.401 3.314 -2.490 1.00 9.36 ? 100 SER C CB 1 ATOM 4197 O OG . SER C 1 100 ? -10.221 4.456 -2.706 1.00 10.79 ? 100 SER C OG 1 ATOM 4198 N N . SER C 1 101 ? -11.005 2.143 -0.087 1.00 8.11 ? 101 SER C N 1 ATOM 4199 C CA . SER C 1 101 ? -12.333 2.179 0.512 1.00 10.45 ? 101 SER C CA 1 ATOM 4200 C C . SER C 1 101 ? -12.300 2.708 1.950 1.00 9.31 ? 101 SER C C 1 ATOM 4201 O O . SER C 1 101 ? -13.220 3.420 2.363 1.00 10.66 ? 101 SER C O 1 ATOM 4202 C CB . SER C 1 101 ? -13.007 0.814 0.443 1.00 13.87 ? 101 SER C CB 1 ATOM 4203 O OG . SER C 1 101 ? -12.225 -0.166 1.079 1.00 15.95 ? 101 SER C OG 1 ATOM 4204 N N . SER C 1 102 ? -11.260 2.365 2.703 1.00 7.89 ? 102 SER C N 1 ATOM 4205 C CA . SER C 1 102 ? -11.112 2.822 4.082 1.00 7.79 ? 102 SER C CA 1 ATOM 4206 C C . SER C 1 102 ? -10.061 3.927 4.242 1.00 7.22 ? 102 SER C C 1 ATOM 4207 O O . SER C 1 102 ? -10.021 4.608 5.267 1.00 7.84 ? 102 SER C O 1 ATOM 4208 C CB . SER C 1 102 ? -10.683 1.652 4.951 1.00 8.15 ? 102 SER C CB 1 ATOM 4209 O OG . SER C 1 102 ? -9.392 1.227 4.550 1.00 8.65 ? 102 SER C OG 1 ATOM 4210 N N . GLY C 1 103 ? -9.191 4.069 3.253 1.00 6.51 ? 103 GLY C N 1 ATOM 4211 C CA . GLY C 1 103 ? -8.042 4.936 3.327 1.00 5.81 ? 103 GLY C CA 1 ATOM 4212 C C . GLY C 1 103 ? -6.905 4.384 4.179 1.00 5.81 ? 103 GLY C C 1 ATOM 4213 O O . GLY C 1 103 ? -5.895 5.041 4.367 1.00 6.32 ? 103 GLY C O 1 ATOM 4214 N N . ILE C 1 104 ? -7.037 3.165 4.677 1.00 6.20 ? 104 ILE C N 1 ATOM 4215 C CA . ILE C 1 104 ? -6.077 2.673 5.654 1.00 6.37 ? 104 ILE C CA 1 ATOM 4216 C C . ILE C 1 104 ? -4.771 2.234 4.996 1.00 5.93 ? 104 ILE C C 1 ATOM 4217 O O . ILE C 1 104 ? -4.760 1.494 4.015 1.00 6.41 ? 104 ILE C O 1 ATOM 4218 C CB . ILE C 1 104 ? -6.650 1.507 6.472 1.00 8.00 ? 104 ILE C CB 1 ATOM 4219 C CG1 . ILE C 1 104 ? -7.834 1.981 7.336 1.00 9.12 ? 104 ILE C CG1 1 ATOM 4220 C CG2 . ILE C 1 104 ? -5.554 0.831 7.336 1.00 8.51 ? 104 ILE C CG2 1 ATOM 4221 C CD1 . ILE C 1 104 ? -7.475 2.958 8.410 1.00 11.16 ? 104 ILE C CD1 1 ATOM 4222 N N . ALA C 1 105 ? -3.677 2.734 5.566 1.00 5.94 ? 105 ALA C N 1 ATOM 4223 C CA . ALA C 1 105 ? -2.311 2.385 5.178 1.00 6.35 ? 105 ALA C CA 1 ATOM 4224 C C . ALA C 1 105 ? -1.697 1.556 6.290 1.00 6.26 ? 105 ALA C C 1 ATOM 4225 O O . ALA C 1 105 ? -1.744 1.968 7.450 1.00 7.14 ? 105 ALA C O 1 ATOM 4226 C CB . ALA C 1 105 ? -1.485 3.648 4.955 1.00 7.22 ? 105 ALA C CB 1 ATOM 4227 N N . GLU C 1 106 ? -1.122 0.402 5.951 1.00 6.68 ? 106 GLU C N 1 ATOM 4228 C CA . GLU C 1 106 ? -0.492 -0.502 6.919 1.00 7.12 ? 106 GLU C CA 1 ATOM 4229 C C . GLU C 1 106 ? 0.970 -0.665 6.568 1.00 6.62 ? 106 GLU C C 1 ATOM 4230 O O . GLU C 1 106 ? 1.278 -1.245 5.533 1.00 9.51 ? 106 GLU C O 1 ATOM 4231 C CB . GLU C 1 106 ? -1.065 -1.924 6.827 1.00 11.38 ? 106 GLU C CB 1 ATOM 4232 C CG . GLU C 1 106 ? -2.481 -2.093 7.171 1.00 13.68 ? 106 GLU C CG 1 ATOM 4233 C CD . GLU C 1 106 ? -2.913 -3.570 7.218 1.00 15.36 ? 106 GLU C CD 1 ATOM 4234 O OE1 . GLU C 1 106 ? -2.046 -4.508 7.173 1.00 14.93 ? 106 GLU C OE1 1 ATOM 4235 O OE2 . GLU C 1 106 ? -4.142 -3.784 7.320 1.00 16.95 ? 106 GLU C OE2 1 ATOM 4236 N N . PHE C 1 107 ? 1.875 -0.223 7.424 1.00 5.20 ? 107 PHE C N 1 ATOM 4237 C CA . PHE C 1 107 ? 3.280 -0.604 7.308 1.00 5.04 ? 107 PHE C CA 1 ATOM 4238 C C . PHE C 1 107 ? 3.586 -1.819 8.175 1.00 4.28 ? 107 PHE C C 1 ATOM 4239 O O . PHE C 1 107 ? 3.103 -1.915 9.318 1.00 5.44 ? 107 PHE C O 1 ATOM 4240 C CB . PHE C 1 107 ? 4.218 0.525 7.782 1.00 6.36 ? 107 PHE C CB 1 ATOM 4241 C CG . PHE C 1 107 ? 4.574 1.559 6.725 1.00 7.51 ? 107 PHE C CG 1 ATOM 4242 C CD1 . PHE C 1 107 ? 5.546 1.289 5.763 1.00 7.67 ? 107 PHE C CD1 1 ATOM 4243 C CD2 . PHE C 1 107 ? 3.999 2.803 6.740 1.00 7.70 ? 107 PHE C CD2 1 ATOM 4244 C CE1 . PHE C 1 107 ? 5.904 2.222 4.816 1.00 7.80 ? 107 PHE C CE1 1 ATOM 4245 C CE2 . PHE C 1 107 ? 4.341 3.753 5.783 1.00 7.71 ? 107 PHE C CE2 1 ATOM 4246 C CZ . PHE C 1 107 ? 5.295 3.460 4.814 1.00 7.85 ? 107 PHE C CZ 1 ATOM 4247 N N . TRP C 1 108 ? 4.404 -2.713 7.646 1.00 4.37 ? 108 TRP C N 1 ATOM 4248 C CA . TRP C 1 108 ? 4.968 -3.836 8.382 1.00 5.28 ? 108 TRP C CA 1 ATOM 4249 C C . TRP C 1 108 ? 6.464 -3.787 8.204 1.00 4.58 ? 108 TRP C C 1 ATOM 4250 O O . TRP C 1 108 ? 6.962 -3.726 7.094 1.00 6.16 ? 108 TRP C O 1 ATOM 4251 C CB . TRP C 1 108 ? 4.446 -5.167 7.836 1.00 6.98 ? 108 TRP C CB 1 ATOM 4252 C CG . TRP C 1 108 ? 2.982 -5.357 8.045 1.00 8.19 ? 108 TRP C CG 1 ATOM 4253 C CD1 . TRP C 1 108 ? 1.973 -4.676 7.432 1.00 9.55 ? 108 TRP C CD1 1 ATOM 4254 C CD2 . TRP C 1 108 ? 2.355 -6.293 8.931 1.00 8.76 ? 108 TRP C CD2 1 ATOM 4255 N NE1 . TRP C 1 108 ? 0.748 -5.117 7.894 1.00 9.76 ? 108 TRP C NE1 1 ATOM 4256 C CE2 . TRP C 1 108 ? 0.957 -6.113 8.812 1.00 9.68 ? 108 TRP C CE2 1 ATOM 4257 C CE3 . TRP C 1 108 ? 2.834 -7.269 9.809 1.00 9.59 ? 108 TRP C CE3 1 ATOM 4258 C CZ2 . TRP C 1 108 ? 0.046 -6.883 9.534 1.00 10.76 ? 108 TRP C CZ2 1 ATOM 4259 C CZ3 . TRP C 1 108 ? 1.928 -8.027 10.521 1.00 11.68 ? 108 TRP C CZ3 1 ATOM 4260 C CH2 . TRP C 1 108 ? 0.554 -7.826 10.383 1.00 11.11 ? 108 TRP C CH2 1 ATOM 4261 N N . ILE C 1 109 ? 7.181 -3.768 9.313 1.00 4.61 ? 109 ILE C N 1 ATOM 4262 C CA . ILE C 1 109 ? 8.637 -3.692 9.299 1.00 4.90 ? 109 ILE C CA 1 ATOM 4263 C C . ILE C 1 109 ? 9.195 -4.953 9.943 1.00 5.11 ? 109 ILE C C 1 ATOM 4264 O O . ILE C 1 109 ? 8.875 -5.275 11.086 1.00 6.75 ? 109 ILE C O 1 ATOM 4265 C CB . ILE C 1 109 ? 9.113 -2.458 10.077 1.00 6.45 ? 109 ILE C CB 1 ATOM 4266 C CG1 . ILE C 1 109 ? 8.528 -1.168 9.465 1.00 7.41 ? 109 ILE C CG1 1 ATOM 4267 C CG2 . ILE C 1 109 ? 10.621 -2.413 10.144 1.00 8.78 ? 109 ILE C CG2 1 ATOM 4268 C CD1 . ILE C 1 109 ? 8.946 -0.906 8.035 1.00 8.22 ? 109 ILE C CD1 1 ATOM 4269 N N . ASN C 1 110 ? 9.998 -5.699 9.199 1.00 5.80 ? 110 ASN C N 1 ATOM 4270 C CA . ASN C 1 110 ? 10.484 -7.000 9.654 1.00 7.50 ? 110 ASN C CA 1 ATOM 4271 C C . ASN C 1 110 ? 9.384 -7.877 10.229 1.00 8.20 ? 110 ASN C C 1 ATOM 4272 O O . ASN C 1 110 ? 9.566 -8.538 11.259 1.00 10.54 ? 110 ASN C O 1 ATOM 4273 C CB . ASN C 1 110 ? 11.601 -6.833 10.670 1.00 9.03 ? 110 ASN C CB 1 ATOM 4274 C CG . ASN C 1 110 ? 12.755 -6.072 10.102 1.00 9.50 ? 110 ASN C CG 1 ATOM 4275 O OD1 . ASN C 1 110 ? 13.081 -6.209 8.923 1.00 8.99 ? 110 ASN C OD1 1 ATOM 4276 N ND2 . ASN C 1 110 ? 13.357 -5.231 10.914 1.00 11.22 ? 110 ASN C ND2 1 ATOM 4277 N N . GLY C 1 111 ? 8.252 -7.899 9.542 1.00 8.14 ? 111 GLY C N 1 ATOM 4278 C CA . GLY C 1 111 ? 7.152 -8.775 9.914 1.00 8.58 ? 111 GLY C CA 1 ATOM 4279 C C . GLY C 1 111 ? 6.314 -8.291 11.096 1.00 9.56 ? 111 GLY C C 1 ATOM 4280 O O . GLY C 1 111 ? 5.449 -9.009 11.565 1.00 12.51 ? 111 GLY C O 1 ATOM 4281 N N A THR C 1 112 ? 6.586 -7.071 11.560 0.69 8.55 ? 112 THR C N 1 ATOM 4282 N N B THR C 1 112 ? 6.586 -7.095 11.600 0.31 8.45 ? 112 THR C N 1 ATOM 4283 C CA A THR C 1 112 ? 5.909 -6.455 12.706 0.69 8.81 ? 112 THR C CA 1 ATOM 4284 C CA B THR C 1 112 ? 5.803 -6.578 12.713 0.31 7.81 ? 112 THR C CA 1 ATOM 4285 C C A THR C 1 112 ? 5.013 -5.317 12.225 0.69 6.95 ? 112 THR C C 1 ATOM 4286 C C B THR C 1 112 ? 5.025 -5.349 12.282 0.31 6.73 ? 112 THR C C 1 ATOM 4287 O O A THR C 1 112 ? 5.458 -4.438 11.508 0.69 7.07 ? 112 THR C O 1 ATOM 4288 O O B THR C 1 112 ? 5.560 -4.453 11.639 0.31 6.88 ? 112 THR C O 1 ATOM 4289 C CB A THR C 1 112 ? 6.950 -5.877 13.708 0.69 11.41 ? 112 THR C CB 1 ATOM 4290 C CB B THR C 1 112 ? 6.670 -6.246 13.934 0.31 8.38 ? 112 THR C CB 1 ATOM 4291 O OG1 A THR C 1 112 ? 7.698 -6.956 14.297 0.69 14.85 ? 112 THR C OG1 1 ATOM 4292 O OG1 B THR C 1 112 ? 5.830 -5.985 15.062 0.31 11.50 ? 112 THR C OG1 1 ATOM 4293 C CG2 A THR C 1 112 ? 6.279 -5.034 14.807 0.69 11.96 ? 112 THR C CG2 1 ATOM 4294 C CG2 B THR C 1 112 ? 7.540 -5.053 13.673 0.31 6.45 ? 112 THR C CG2 1 ATOM 4295 N N . PRO C 1 113 ? 3.747 -5.295 12.652 1.00 5.76 ? 113 PRO C N 1 ATOM 4296 C CA . PRO C 1 113 ? 2.879 -4.210 12.171 1.00 5.68 ? 113 PRO C CA 1 ATOM 4297 C C . PRO C 1 113 ? 3.116 -2.903 12.902 1.00 4.95 ? 113 PRO C C 1 ATOM 4298 O O . PRO C 1 113 ? 3.214 -2.892 14.124 1.00 6.05 ? 113 PRO C O 1 ATOM 4299 C CB . PRO C 1 113 ? 1.468 -4.738 12.455 1.00 6.38 ? 113 PRO C CB 1 ATOM 4300 C CG . PRO C 1 113 ? 1.669 -5.637 13.659 1.00 6.87 ? 113 PRO C CG 1 ATOM 4301 C CD . PRO C 1 113 ? 3.012 -6.297 13.437 1.00 6.78 ? 113 PRO C CD 1 ATOM 4302 N N . LEU C 1 114 ? 3.197 -1.811 12.151 1.00 4.88 ? 114 LEU C N 1 ATOM 4303 C CA . LEU C 1 114 ? 3.195 -0.482 12.707 1.00 4.70 ? 114 LEU C CA 1 ATOM 4304 C C . LEU C 1 114 ? 1.744 -0.048 12.966 1.00 4.52 ? 114 LEU C C 1 ATOM 4305 O O . LEU C 1 114 ? 0.800 -0.728 12.570 1.00 5.58 ? 114 LEU C O 1 ATOM 4306 C CB . LEU C 1 114 ? 3.901 0.499 11.784 1.00 5.92 ? 114 LEU C CB 1 ATOM 4307 C CG . LEU C 1 114 ? 5.328 0.127 11.399 1.00 7.87 ? 114 LEU C CG 1 ATOM 4308 C CD1 . LEU C 1 114 ? 6.051 1.352 10.901 1.00 6.99 ? 114 LEU C CD1 1 ATOM 4309 C CD2 . LEU C 1 114 ? 6.109 -0.595 12.484 1.00 9.45 ? 114 LEU C CD2 1 ATOM 4310 N N . VAL C 1 115 ? 1.582 1.076 13.629 1.00 4.71 ? 115 VAL C N 1 ATOM 4311 C CA . VAL C 1 115 ? 0.255 1.652 13.842 1.00 4.23 ? 115 VAL C CA 1 ATOM 4312 C C . VAL C 1 115 ? -0.371 2.003 12.498 1.00 4.57 ? 115 VAL C C 1 ATOM 4313 O O . VAL C 1 115 ? 0.262 2.670 11.675 1.00 5.90 ? 115 VAL C O 1 ATOM 4314 C CB . VAL C 1 115 ? 0.338 2.893 14.729 1.00 4.72 ? 115 VAL C CB 1 ATOM 4315 C CG1 . VAL C 1 115 ? -1.041 3.511 14.932 1.00 5.61 ? 115 VAL C CG1 1 ATOM 4316 C CG2 . VAL C 1 115 ? 0.945 2.555 16.100 1.00 5.69 ? 115 VAL C CG2 1 ATOM 4317 N N . LYS C 1 116 ? -1.612 1.561 12.275 1.00 5.08 ? 116 LYS C N 1 ATOM 4318 C CA . LYS C 1 116 ? -2.328 1.934 11.059 1.00 6.20 ? 116 LYS C CA 1 ATOM 4319 C C . LYS C 1 116 ? -2.618 3.424 11.021 1.00 7.02 ? 116 LYS C C 1 ATOM 4320 O O . LYS C 1 116 ? -2.905 4.032 12.053 1.00 8.73 ? 116 LYS C O 1 ATOM 4321 C CB . LYS C 1 116 ? -3.659 1.183 10.998 1.00 7.25 ? 116 LYS C CB 1 ATOM 4322 C CG . LYS C 1 116 ? -3.544 -0.292 10.651 1.00 9.12 ? 116 LYS C CG 1 ATOM 4323 C CD . LYS C 1 116 ? -4.930 -0.971 10.859 1.00 11.52 ? 116 LYS C CD 1 ATOM 4324 C CE . LYS C 1 116 ? -5.084 -2.298 10.156 1.00 14.54 ? 116 LYS C CE 1 ATOM 4325 N NZ . LYS C 1 116 ? -4.260 -3.336 10.819 1.00 14.44 ? 116 LYS C NZ 1 ATOM 4326 N N . LYS C 1 117 ? -2.561 4.012 9.824 1.00 6.54 ? 117 LYS C N 1 ATOM 4327 C CA . LYS C 1 117 ? -2.923 5.419 9.591 1.00 5.70 ? 117 LYS C CA 1 ATOM 4328 C C . LYS C 1 117 ? -3.858 5.432 8.408 1.00 6.29 ? 117 LYS C C 1 ATOM 4329 O O . LYS C 1 117 ? -4.078 4.383 7.787 1.00 9.76 ? 117 LYS C O 1 ATOM 4330 C CB . LYS C 1 117 ? -1.687 6.305 9.343 1.00 6.80 ? 117 LYS C CB 1 ATOM 4331 C CG . LYS C 1 117 ? -0.677 6.276 10.485 1.00 6.42 ? 117 LYS C CG 1 ATOM 4332 C CD . LYS C 1 117 ? -1.194 6.906 11.746 1.00 6.98 ? 117 LYS C CD 1 ATOM 4333 C CE . LYS C 1 117 ? -0.334 6.600 12.966 1.00 8.34 ? 117 LYS C CE 1 ATOM 4334 N NZ . LYS C 1 117 ? 1.005 7.216 12.847 1.00 9.93 ? 117 LYS C NZ 1 ATOM 4335 N N . GLY C 1 118 ? -4.443 6.578 8.107 1.00 5.67 ? 118 GLY C N 1 ATOM 4336 C CA . GLY C 1 118 ? -5.386 6.651 7.009 1.00 5.95 ? 118 GLY C CA 1 ATOM 4337 C C . GLY C 1 118 ? -5.267 7.940 6.244 1.00 6.13 ? 118 GLY C C 1 ATOM 4338 O O . GLY C 1 118 ? -5.031 9.001 6.829 1.00 8.46 ? 118 GLY C O 1 ATOM 4339 N N . LEU C 1 119 ? -5.437 7.842 4.932 1.00 6.19 ? 119 LEU C N 1 ATOM 4340 C CA . LEU C 1 119 ? -5.411 8.998 4.043 1.00 7.10 ? 119 LEU C CA 1 ATOM 4341 C C . LEU C 1 119 ? -6.111 8.667 2.736 1.00 7.18 ? 119 LEU C C 1 ATOM 4342 O O . LEU C 1 119 ? -6.180 7.511 2.314 1.00 6.80 ? 119 LEU C O 1 ATOM 4343 C CB . LEU C 1 119 ? -3.980 9.409 3.731 1.00 7.11 ? 119 LEU C CB 1 ATOM 4344 C CG . LEU C 1 119 ? -3.125 8.506 2.798 1.00 6.23 ? 119 LEU C CG 1 ATOM 4345 C CD1 . LEU C 1 119 ? -1.835 9.222 2.462 1.00 7.46 ? 119 LEU C CD1 1 ATOM 4346 C CD2 . LEU C 1 119 ? -2.821 7.120 3.384 1.00 7.13 ? 119 LEU C CD2 1 ATOM 4347 N N . ARG C 1 120 ? -6.635 9.702 2.105 1.00 7.75 ? 120 ARG C N 1 ATOM 4348 C CA . ARG C 1 120 ? -7.146 9.615 0.734 1.00 8.56 ? 120 ARG C CA 1 ATOM 4349 C C . ARG C 1 120 ? -8.236 8.561 0.574 1.00 7.79 ? 120 ARG C C 1 ATOM 4350 O O . ARG C 1 120 ? -8.351 7.925 -0.453 1.00 8.39 ? 120 ARG C O 1 ATOM 4351 C CB . ARG C 1 120 ? -5.990 9.422 -0.274 1.00 9.85 ? 120 ARG C CB 1 ATOM 4352 C CG . ARG C 1 120 ? -4.975 10.624 -0.248 1.00 13.72 ? 120 ARG C CG 1 ATOM 4353 C CD . ARG C 1 120 ? -4.809 11.473 -1.552 1.00 19.37 ? 120 ARG C CD 1 ATOM 4354 N NE . ARG C 1 120 ? -6.024 12.095 -2.012 1.00 22.22 ? 120 ARG C NE 1 ATOM 4355 C CZ . ARG C 1 120 ? -6.091 13.048 -2.948 1.00 21.11 ? 120 ARG C CZ 1 ATOM 4356 N NH1 . ARG C 1 120 ? -5.007 13.549 -3.554 1.00 19.02 ? 120 ARG C NH1 1 ATOM 4357 N NH2 . ARG C 1 120 ? -7.267 13.488 -3.299 1.00 22.60 ? 120 ARG C NH2 1 ATOM 4358 N N . GLN C 1 121 ? -9.121 8.447 1.565 1.00 7.68 ? 121 GLN C N 1 ATOM 4359 C CA . GLN C 1 121 ? -10.236 7.525 1.433 1.00 7.97 ? 121 GLN C CA 1 ATOM 4360 C C . GLN C 1 121 ? -11.047 7.904 0.203 1.00 8.56 ? 121 GLN C C 1 ATOM 4361 O O . GLN C 1 121 ? -11.414 9.066 0.042 1.00 10.62 ? 121 GLN C O 1 ATOM 4362 C CB . GLN C 1 121 ? -11.126 7.570 2.676 1.00 9.10 ? 121 GLN C CB 1 ATOM 4363 C CG . GLN C 1 121 ? -12.301 6.623 2.625 1.00 10.81 ? 121 GLN C CG 1 ATOM 4364 C CD . GLN C 1 121 ? -13.165 6.688 3.881 1.00 12.45 ? 121 GLN C CD 1 ATOM 4365 O OE1 . GLN C 1 121 ? -13.284 7.740 4.519 1.00 13.32 ? 121 GLN C OE1 1 ATOM 4366 N NE2 . GLN C 1 121 ? -13.774 5.567 4.236 1.00 14.00 ? 121 GLN C NE2 1 ATOM 4367 N N . GLY C 1 122 ? -11.296 6.915 -0.658 1.00 8.21 ? 122 GLY C N 1 ATOM 4368 C CA . GLY C 1 122 ? -12.078 7.090 -1.873 1.00 8.77 ? 122 GLY C CA 1 ATOM 4369 C C . GLY C 1 122 ? -11.284 7.454 -3.114 1.00 10.05 ? 122 GLY C C 1 ATOM 4370 O O . GLY C 1 122 ? -11.844 7.509 -4.212 1.00 12.50 ? 122 GLY C O 1 ATOM 4371 N N . TYR C 1 123 ? -10.009 7.765 -2.935 1.00 9.65 ? 123 TYR C N 1 ATOM 4372 C CA . TYR C 1 123 ? -9.127 8.148 -4.029 1.00 9.92 ? 123 TYR C CA 1 ATOM 4373 C C . TYR C 1 123 ? -8.700 6.921 -4.822 1.00 9.80 ? 123 TYR C C 1 ATOM 4374 O O . TYR C 1 123 ? -8.631 5.824 -4.279 1.00 10.40 ? 123 TYR C O 1 ATOM 4375 C CB . TYR C 1 123 ? -7.902 8.847 -3.430 1.00 10.12 ? 123 TYR C CB 1 ATOM 4376 C CG . TYR C 1 123 ? -6.938 9.406 -4.447 1.00 10.44 ? 123 TYR C CG 1 ATOM 4377 C CD1 . TYR C 1 123 ? -7.251 10.546 -5.172 1.00 11.81 ? 123 TYR C CD1 1 ATOM 4378 C CD2 . TYR C 1 123 ? -5.690 8.825 -4.647 1.00 9.54 ? 123 TYR C CD2 1 ATOM 4379 C CE1 . TYR C 1 123 ? -6.345 11.069 -6.087 1.00 12.29 ? 123 TYR C CE1 1 ATOM 4380 C CE2 . TYR C 1 123 ? -4.782 9.339 -5.557 1.00 10.04 ? 123 TYR C CE2 1 ATOM 4381 C CZ . TYR C 1 123 ? -5.127 10.452 -6.280 1.00 11.76 ? 123 TYR C CZ 1 ATOM 4382 O OH . TYR C 1 123 ? -4.259 10.979 -7.189 1.00 12.70 ? 123 TYR C OH 1 ATOM 4383 N N . PHE C 1 124 ? -8.388 7.111 -6.103 1.00 10.70 ? 124 PHE C N 1 ATOM 4384 C CA . PHE C 1 124 ? -7.747 6.065 -6.893 1.00 12.27 ? 124 PHE C CA 1 ATOM 4385 C C . PHE C 1 124 ? -6.366 6.549 -7.309 1.00 11.39 ? 124 PHE C C 1 ATOM 4386 O O . PHE C 1 124 ? -6.224 7.636 -7.872 1.00 11.94 ? 124 PHE C O 1 ATOM 4387 C CB . PHE C 1 124 ? -8.561 5.716 -8.150 1.00 15.91 ? 124 PHE C CB 1 ATOM 4388 C CG . PHE C 1 124 ? -9.899 5.024 -7.890 1.00 19.78 ? 124 PHE C CG 1 ATOM 4389 C CD1 . PHE C 1 124 ? -10.389 4.801 -6.611 1.00 21.69 ? 124 PHE C CD1 1 ATOM 4390 C CD2 . PHE C 1 124 ? -10.657 4.571 -8.963 1.00 22.19 ? 124 PHE C CD2 1 ATOM 4391 C CE1 . PHE C 1 124 ? -11.618 4.168 -6.406 1.00 23.16 ? 124 PHE C CE1 1 ATOM 4392 C CE2 . PHE C 1 124 ? -11.882 3.943 -8.761 1.00 23.37 ? 124 PHE C CE2 1 ATOM 4393 C CZ . PHE C 1 124 ? -12.352 3.740 -7.481 1.00 23.74 ? 124 PHE C CZ 1 ATOM 4394 N N . VAL C 1 125 ? -5.346 5.736 -7.050 1.00 10.40 ? 125 VAL C N 1 ATOM 4395 C CA . VAL C 1 125 ? -3.996 6.060 -7.509 1.00 10.43 ? 125 VAL C CA 1 ATOM 4396 C C . VAL C 1 125 ? -3.957 5.987 -9.027 1.00 10.73 ? 125 VAL C C 1 ATOM 4397 O O . VAL C 1 125 ? -4.388 5.002 -9.620 1.00 11.43 ? 125 VAL C O 1 ATOM 4398 C CB . VAL C 1 125 ? -2.982 5.104 -6.865 1.00 11.18 ? 125 VAL C CB 1 ATOM 4399 C CG1 . VAL C 1 125 ? -1.612 5.235 -7.510 1.00 11.66 ? 125 VAL C CG1 1 ATOM 4400 C CG2 . VAL C 1 125 ? -2.909 5.381 -5.371 1.00 12.54 ? 125 VAL C CG2 1 ATOM 4401 N N . GLU C 1 126 ? -3.457 7.038 -9.660 1.00 11.27 ? 126 GLU C N 1 ATOM 4402 C CA . GLU C 1 126 ? -3.539 7.120 -11.112 1.00 13.58 ? 126 GLU C CA 1 ATOM 4403 C C . GLU C 1 126 ? -2.654 6.075 -11.798 1.00 13.38 ? 126 GLU C C 1 ATOM 4404 O O . GLU C 1 126 ? -1.645 5.610 -11.243 1.00 12.55 ? 126 GLU C O 1 ATOM 4405 C CB . GLU C 1 126 ? -3.186 8.529 -11.570 1.00 17.66 ? 126 GLU C CB 1 ATOM 4406 C CG . GLU C 1 126 ? -4.151 9.596 -11.039 1.00 21.82 ? 126 GLU C CG 1 ATOM 4407 C CD . GLU C 1 126 ? -4.846 10.436 -12.117 1.00 26.34 ? 126 GLU C CD 1 ATOM 4408 O OE1 . GLU C 1 126 ? -4.829 10.037 -13.308 1.00 28.55 ? 126 GLU C OE1 1 ATOM 4409 O OE2 . GLU C 1 126 ? -5.439 11.496 -11.748 1.00 27.43 ? 126 GLU C OE2 1 ATOM 4410 N N . ALA C 1 127 ? -3.086 5.698 -13.000 1.00 14.85 ? 127 ALA C N 1 ATOM 4411 C CA . ALA C 1 127 ? -2.428 4.678 -13.804 1.00 15.41 ? 127 ALA C CA 1 ATOM 4412 C C . ALA C 1 127 ? -1.332 5.259 -14.691 1.00 14.10 ? 127 ALA C C 1 ATOM 4413 O O . ALA C 1 127 ? -1.064 6.462 -14.669 1.00 13.46 ? 127 ALA C O 1 ATOM 4414 C CB . ALA C 1 127 ? -3.467 3.959 -14.679 1.00 17.07 ? 127 ALA C CB 1 ATOM 4415 N N . GLN C 1 128 ? -0.709 4.371 -15.463 1.00 13.63 ? 128 GLN C N 1 ATOM 4416 C CA . GLN C 1 128 ? 0.391 4.715 -16.380 1.00 14.27 ? 128 GLN C CA 1 ATOM 4417 C C . GLN C 1 128 ? 1.552 5.412 -15.670 1.00 12.76 ? 128 GLN C C 1 ATOM 4418 O O . GLN C 1 128 ? 1.976 6.501 -16.046 1.00 12.83 ? 128 GLN C O 1 ATOM 4419 C CB . GLN C 1 128 ? -0.118 5.562 -17.541 1.00 17.70 ? 128 GLN C CB 1 ATOM 4420 C CG . GLN C 1 128 ? -1.116 4.815 -18.409 1.00 21.25 ? 128 GLN C CG 1 ATOM 4421 C CD . GLN C 1 128 ? -1.501 5.579 -19.656 1.00 26.53 ? 128 GLN C CD 1 ATOM 4422 O OE1 . GLN C 1 128 ? -0.981 6.665 -19.928 1.00 28.84 ? 128 GLN C OE1 1 ATOM 4423 N NE2 . GLN C 1 128 ? -2.407 5.013 -20.427 1.00 28.92 ? 128 GLN C NE2 1 ATOM 4424 N N . PRO C 1 129 ? 2.097 4.754 -14.647 1.00 11.66 ? 129 PRO C N 1 ATOM 4425 C CA . PRO C 1 129 ? 3.146 5.396 -13.857 1.00 9.93 ? 129 PRO C CA 1 ATOM 4426 C C . PRO C 1 129 ? 4.527 5.279 -14.480 1.00 10.27 ? 129 PRO C C 1 ATOM 4427 O O . PRO C 1 129 ? 4.781 4.425 -15.334 1.00 11.80 ? 129 PRO C O 1 ATOM 4428 C CB . PRO C 1 129 ? 3.117 4.596 -12.551 1.00 10.44 ? 129 PRO C CB 1 ATOM 4429 C CG . PRO C 1 129 ? 2.729 3.208 -13.018 1.00 11.31 ? 129 PRO C CG 1 ATOM 4430 C CD . PRO C 1 129 ? 1.691 3.462 -14.072 1.00 12.20 ? 129 PRO C CD 1 ATOM 4431 N N . LYS C 1 130 ? 5.419 6.139 -14.017 1.00 9.91 ? 130 LYS C N 1 ATOM 4432 C CA . LYS C 1 130 ? 6.841 5.872 -14.070 1.00 9.35 ? 130 LYS C CA 1 ATOM 4433 C C . LYS C 1 130 ? 7.257 5.541 -12.637 1.00 6.72 ? 130 LYS C C 1 ATOM 4434 O O . LYS C 1 130 ? 6.934 6.264 -11.682 1.00 7.14 ? 130 LYS C O 1 ATOM 4435 C CB . LYS C 1 130 ? 7.618 7.093 -14.545 1.00 12.21 ? 130 LYS C CB 1 ATOM 4436 C CG . LYS C 1 130 ? 7.308 7.457 -15.972 1.00 16.75 ? 130 LYS C CG 1 ATOM 4437 C CD . LYS C 1 130 ? 8.223 6.758 -16.898 1.00 21.28 ? 130 LYS C CD 1 ATOM 4438 C CE . LYS C 1 130 ? 8.016 7.251 -18.323 1.00 24.12 ? 130 LYS C CE 1 ATOM 4439 N NZ . LYS C 1 130 ? 8.881 6.505 -19.261 1.00 26.21 ? 130 LYS C NZ 1 ATOM 4440 N N . ILE C 1 131 ? 7.918 4.403 -12.497 1.00 6.27 ? 131 ILE C N 1 ATOM 4441 C CA . ILE C 1 131 ? 8.336 3.887 -11.206 1.00 6.59 ? 131 ILE C CA 1 ATOM 4442 C C . ILE C 1 131 ? 9.850 3.842 -11.164 1.00 6.20 ? 131 ILE C C 1 ATOM 4443 O O . ILE C 1 131 ? 10.496 3.241 -12.026 1.00 7.94 ? 131 ILE C O 1 ATOM 4444 C CB . ILE C 1 131 ? 7.762 2.479 -10.966 1.00 7.63 ? 131 ILE C CB 1 ATOM 4445 C CG1 . ILE C 1 131 ? 6.226 2.518 -11.081 1.00 8.59 ? 131 ILE C CG1 1 ATOM 4446 C CG2 . ILE C 1 131 ? 8.248 1.921 -9.603 1.00 7.40 ? 131 ILE C CG2 1 ATOM 4447 C CD1 . ILE C 1 131 ? 5.561 1.138 -10.959 1.00 9.51 ? 131 ILE C CD1 1 ATOM 4448 N N . VAL C 1 132 ? 10.413 4.469 -10.138 1.00 6.27 ? 132 VAL C N 1 ATOM 4449 C CA . VAL C 1 132 ? 11.852 4.594 -10.028 1.00 5.99 ? 132 VAL C CA 1 ATOM 4450 C C . VAL C 1 132 ? 12.361 4.139 -8.665 1.00 5.85 ? 132 VAL C C 1 ATOM 4451 O O . VAL C 1 132 ? 11.781 4.474 -7.637 1.00 6.60 ? 132 VAL C O 1 ATOM 4452 C CB . VAL C 1 132 ? 12.279 6.065 -10.271 1.00 7.17 ? 132 VAL C CB 1 ATOM 4453 C CG1 . VAL C 1 132 ? 13.765 6.239 -10.043 1.00 8.17 ? 132 VAL C CG1 1 ATOM 4454 C CG2 . VAL C 1 132 ? 11.898 6.493 -11.676 1.00 7.13 ? 132 VAL C CG2 1 ATOM 4455 N N . LEU C 1 133 ? 13.448 3.370 -8.688 1.00 5.72 ? 133 LEU C N 1 ATOM 4456 C CA . LEU C 1 133 ? 14.256 3.082 -7.504 1.00 5.34 ? 133 LEU C CA 1 ATOM 4457 C C . LEU C 1 133 ? 15.550 3.876 -7.602 1.00 5.74 ? 133 LEU C C 1 ATOM 4458 O O . LEU C 1 133 ? 16.101 4.032 -8.693 1.00 5.98 ? 133 LEU C O 1 ATOM 4459 C CB . LEU C 1 133 ? 14.604 1.587 -7.389 1.00 6.24 ? 133 LEU C CB 1 ATOM 4460 C CG . LEU C 1 133 ? 13.474 0.580 -7.457 1.00 7.27 ? 133 LEU C CG 1 ATOM 4461 C CD1 . LEU C 1 133 ? 14.070 -0.826 -7.373 1.00 7.87 ? 133 LEU C CD1 1 ATOM 4462 C CD2 . LEU C 1 133 ? 12.496 0.816 -6.324 1.00 9.05 ? 133 LEU C CD2 1 ATOM 4463 N N . GLY C 1 134 ? 16.048 4.348 -6.465 1.00 6.18 ? 134 GLY C N 1 ATOM 4464 C CA . GLY C 1 134 ? 17.338 5.002 -6.399 1.00 6.76 ? 134 GLY C CA 1 ATOM 4465 C C . GLY C 1 134 ? 17.277 6.511 -6.356 1.00 6.20 ? 134 GLY C C 1 ATOM 4466 O O . GLY C 1 134 ? 18.213 7.160 -5.900 1.00 6.64 ? 134 GLY C O 1 ATOM 4467 N N . GLN C 1 135 ? 16.186 7.076 -6.860 1.00 6.46 ? 135 GLN C N 1 ATOM 4468 C CA . GLN C 1 135 ? 15.973 8.512 -6.886 1.00 6.94 ? 135 GLN C CA 1 ATOM 4469 C C . GLN C 1 135 ? 14.513 8.815 -6.618 1.00 6.36 ? 135 GLN C C 1 ATOM 4470 O O . GLN C 1 135 ? 13.635 7.972 -6.834 1.00 7.75 ? 135 GLN C O 1 ATOM 4471 C CB . GLN C 1 135 ? 16.340 9.101 -8.257 1.00 7.76 ? 135 GLN C CB 1 ATOM 4472 C CG . GLN C 1 135 ? 17.768 8.891 -8.722 1.00 8.08 ? 135 GLN C CG 1 ATOM 4473 C CD . GLN C 1 135 ? 18.816 9.680 -7.925 1.00 7.86 ? 135 GLN C CD 1 ATOM 4474 O OE1 . GLN C 1 135 ? 18.534 10.707 -7.312 1.00 8.77 ? 135 GLN C OE1 1 ATOM 4475 N NE2 . GLN C 1 135 ? 20.043 9.186 -7.934 1.00 7.57 ? 135 GLN C NE2 1 ATOM 4476 N N . GLU C 1 136 ? 14.263 10.041 -6.170 1.00 6.64 ? 136 GLU C N 1 ATOM 4477 C CA . GLU C 1 136 ? 12.920 10.525 -5.935 1.00 7.25 ? 136 GLU C CA 1 ATOM 4478 C C . GLU C 1 136 ? 12.559 11.391 -7.144 1.00 6.82 ? 136 GLU C C 1 ATOM 4479 O O . GLU C 1 136 ? 13.285 12.315 -7.484 1.00 7.55 ? 136 GLU C O 1 ATOM 4480 C CB . GLU C 1 136 ? 12.898 11.366 -4.665 1.00 7.43 ? 136 GLU C CB 1 ATOM 4481 C CG . GLU C 1 136 ? 11.535 11.464 -3.992 1.00 8.34 ? 136 GLU C CG 1 ATOM 4482 C CD . GLU C 1 136 ? 10.577 12.449 -4.643 1.00 8.56 ? 136 GLU C CD 1 ATOM 4483 O OE1 . GLU C 1 136 ? 10.989 13.589 -4.944 1.00 8.83 ? 136 GLU C OE1 1 ATOM 4484 O OE2 . GLU C 1 136 ? 9.401 12.096 -4.831 1.00 8.21 ? 136 GLU C OE2 1 ATOM 4485 N N . GLN C 1 137 ? 11.475 11.059 -7.824 1.00 7.07 ? 137 GLN C N 1 ATOM 4486 C CA . GLN C 1 137 ? 11.046 11.867 -8.979 1.00 7.30 ? 137 GLN C CA 1 ATOM 4487 C C . GLN C 1 137 ? 10.316 13.108 -8.585 1.00 8.25 ? 137 GLN C C 1 ATOM 4488 O O . GLN C 1 137 ? 9.491 13.052 -7.678 1.00 8.90 ? 137 GLN C O 1 ATOM 4489 C CB . GLN C 1 137 ? 10.040 11.074 -9.825 1.00 6.88 ? 137 GLN C CB 1 ATOM 4490 C CG . GLN C 1 137 ? 10.577 9.849 -10.488 1.00 8.21 ? 137 GLN C CG 1 ATOM 4491 C CD . GLN C 1 137 ? 9.476 9.051 -11.126 1.00 8.11 ? 137 GLN C CD 1 ATOM 4492 O OE1 . GLN C 1 137 ? 9.094 9.331 -12.253 1.00 9.99 ? 137 GLN C OE1 1 ATOM 4493 N NE2 . GLN C 1 137 ? 8.903 8.110 -10.401 1.00 7.20 ? 137 GLN C NE2 1 ATOM 4494 N N . ASP C 1 138 ? 10.560 14.216 -9.306 1.00 8.11 ? 138 ASP C N 1 ATOM 4495 C CA . ASP C 1 138 ? 9.686 15.411 -9.225 1.00 9.39 ? 138 ASP C CA 1 ATOM 4496 C C . ASP C 1 138 ? 8.962 15.698 -10.540 1.00 10.95 ? 138 ASP C C 1 ATOM 4497 O O . ASP C 1 138 ? 8.150 16.625 -10.620 1.00 13.44 ? 138 ASP C O 1 ATOM 4498 C CB . ASP C 1 138 ? 10.461 16.650 -8.753 1.00 9.01 ? 138 ASP C CB 1 ATOM 4499 C CG . ASP C 1 138 ? 10.772 16.615 -7.268 1.00 9.65 ? 138 ASP C CG 1 ATOM 4500 O OD1 . ASP C 1 138 ? 10.072 15.892 -6.519 1.00 9.57 ? 138 ASP C OD1 1 ATOM 4501 O OD2 . ASP C 1 138 ? 11.720 17.310 -6.831 1.00 11.21 ? 138 ASP C OD2 1 ATOM 4502 N N . SER C 1 139 ? 9.231 14.890 -11.552 1.00 10.26 ? 139 SER C N 1 ATOM 4503 C CA . SER C 1 139 ? 8.489 14.959 -12.805 1.00 10.77 ? 139 SER C CA 1 ATOM 4504 C C . SER C 1 139 ? 8.085 13.553 -13.250 1.00 10.55 ? 139 SER C C 1 ATOM 4505 O O . SER C 1 139 ? 8.222 12.595 -12.499 1.00 10.84 ? 139 SER C O 1 ATOM 4506 C CB . SER C 1 139 ? 9.364 15.577 -13.868 1.00 12.45 ? 139 SER C CB 1 ATOM 4507 O OG . SER C 1 139 ? 10.421 14.690 -14.174 1.00 13.45 ? 139 SER C OG 1 ATOM 4508 N N . TYR C 1 140 ? 7.573 13.437 -14.470 1.00 10.95 ? 140 TYR C N 1 ATOM 4509 C CA . TYR C 1 140 ? 7.160 12.141 -14.970 1.00 11.78 ? 140 TYR C CA 1 ATOM 4510 C C . TYR C 1 140 ? 8.404 11.454 -15.524 1.00 12.33 ? 140 TYR C C 1 ATOM 4511 O O . TYR C 1 140 ? 8.743 11.564 -16.704 1.00 14.91 ? 140 TYR C O 1 ATOM 4512 C CB . TYR C 1 140 ? 6.071 12.299 -16.015 1.00 11.94 ? 140 TYR C CB 1 ATOM 4513 C CG . TYR C 1 140 ? 5.455 11.008 -16.498 1.00 12.35 ? 140 TYR C CG 1 ATOM 4514 C CD1 . TYR C 1 140 ? 4.843 10.121 -15.607 1.00 12.36 ? 140 TYR C CD1 1 ATOM 4515 C CD2 . TYR C 1 140 ? 5.457 10.678 -17.844 1.00 13.45 ? 140 TYR C CD2 1 ATOM 4516 C CE1 . TYR C 1 140 ? 4.265 8.941 -16.043 1.00 11.98 ? 140 TYR C CE1 1 ATOM 4517 C CE2 . TYR C 1 140 ? 4.878 9.509 -18.294 1.00 13.44 ? 140 TYR C CE2 1 ATOM 4518 C CZ . TYR C 1 140 ? 4.278 8.652 -17.401 1.00 12.69 ? 140 TYR C CZ 1 ATOM 4519 O OH . TYR C 1 140 ? 3.704 7.487 -17.842 1.00 14.31 ? 140 TYR C OH 1 ATOM 4520 N N . GLY C 1 141 ? 9.115 10.781 -14.627 1.00 11.70 ? 141 GLY C N 1 ATOM 4521 C CA . GLY C 1 141 ? 10.312 10.033 -14.965 1.00 11.80 ? 141 GLY C CA 1 ATOM 4522 C C . GLY C 1 141 ? 11.623 10.637 -14.516 1.00 13.70 ? 141 GLY C C 1 ATOM 4523 O O . GLY C 1 141 ? 12.653 9.970 -14.624 1.00 15.80 ? 141 GLY C O 1 ATOM 4524 N N . GLY C 1 142 ? 11.614 11.868 -14.009 1.00 12.93 ? 142 GLY C N 1 ATOM 4525 C CA . GLY C 1 142 ? 12.866 12.563 -13.742 1.00 12.26 ? 142 GLY C CA 1 ATOM 4526 C C . GLY C 1 142 ? 12.820 13.651 -12.675 1.00 11.80 ? 142 GLY C C 1 ATOM 4527 O O . GLY C 1 142 ? 12.065 13.551 -11.710 1.00 11.85 ? 142 GLY C O 1 ATOM 4528 N N . LYS C 1 143 ? 13.630 14.693 -12.875 1.00 12.96 ? 143 LYS C N 1 ATOM 4529 C CA . LYS C 1 143 ? 13.822 15.785 -11.919 1.00 14.23 ? 143 LYS C CA 1 ATOM 4530 C C . LYS C 1 143 ? 14.202 15.252 -10.539 1.00 12.55 ? 143 LYS C C 1 ATOM 4531 O O . LYS C 1 143 ? 13.505 15.467 -9.539 1.00 12.83 ? 143 LYS C O 1 ATOM 4532 C CB . LYS C 1 143 ? 12.606 16.730 -11.863 1.00 17.46 ? 143 LYS C CB 1 ATOM 4533 C CG . LYS C 1 143 ? 12.647 17.791 -12.953 1.00 22.36 ? 143 LYS C CG 1 ATOM 4534 C CD . LYS C 1 143 ? 11.671 17.490 -14.068 1.00 26.40 ? 143 LYS C CD 1 ATOM 4535 C CE . LYS C 1 143 ? 12.056 18.146 -15.395 1.00 29.40 ? 143 LYS C CE 1 ATOM 4536 N NZ . LYS C 1 143 ? 11.010 17.927 -16.461 1.00 30.86 ? 143 LYS C NZ 1 ATOM 4537 N N . PHE C 1 144 ? 15.336 14.564 -10.512 1.00 10.70 ? 144 PHE C N 1 ATOM 4538 C CA . PHE C 1 144 ? 15.876 13.932 -9.322 1.00 11.01 ? 144 PHE C CA 1 ATOM 4539 C C . PHE C 1 144 ? 16.602 14.930 -8.431 1.00 11.28 ? 144 PHE C C 1 ATOM 4540 O O . PHE C 1 144 ? 16.898 16.039 -8.844 1.00 12.91 ? 144 PHE C O 1 ATOM 4541 C CB . PHE C 1 144 ? 16.837 12.819 -9.734 1.00 10.10 ? 144 PHE C CB 1 ATOM 4542 C CG . PHE C 1 144 ? 16.223 11.766 -10.641 1.00 10.32 ? 144 PHE C CG 1 ATOM 4543 C CD1 . PHE C 1 144 ? 14.923 11.326 -10.454 1.00 11.70 ? 144 PHE C CD1 1 ATOM 4544 C CD2 . PHE C 1 144 ? 16.977 11.176 -11.661 1.00 11.06 ? 144 PHE C CD2 1 ATOM 4545 C CE1 . PHE C 1 144 ? 14.383 10.353 -11.274 1.00 11.55 ? 144 PHE C CE1 1 ATOM 4546 C CE2 . PHE C 1 144 ? 16.440 10.195 -12.460 1.00 11.80 ? 144 PHE C CE2 1 ATOM 4547 C CZ . PHE C 1 144 ? 15.156 9.774 -12.258 1.00 12.29 ? 144 PHE C CZ 1 ATOM 4548 N N . ASP C 1 145 ? 16.881 14.529 -7.195 1.00 10.90 ? 145 ASP C N 1 ATOM 4549 C CA . ASP C 1 145 ? 17.485 15.400 -6.186 1.00 11.64 ? 145 ASP C CA 1 ATOM 4550 C C . ASP C 1 145 ? 18.500 14.558 -5.406 1.00 11.29 ? 145 ASP C C 1 ATOM 4551 O O . ASP C 1 145 ? 18.142 13.598 -4.715 1.00 10.35 ? 145 ASP C O 1 ATOM 4552 C CB . ASP C 1 145 ? 16.364 15.904 -5.270 1.00 13.09 ? 145 ASP C CB 1 ATOM 4553 C CG . ASP C 1 145 ? 16.847 16.782 -4.140 1.00 15.60 ? 145 ASP C CG 1 ATOM 4554 O OD1 . ASP C 1 145 ? 18.057 16.849 -3.874 1.00 16.71 ? 145 ASP C OD1 1 ATOM 4555 O OD2 . ASP C 1 145 ? 15.976 17.420 -3.514 1.00 17.07 ? 145 ASP C OD2 1 ATOM 4556 N N . ARG C 1 146 ? 19.773 14.899 -5.543 1.00 12.16 ? 146 ARG C N 1 ATOM 4557 C CA . ARG C 1 146 ? 20.847 14.153 -4.903 1.00 14.17 ? 146 ARG C CA 1 ATOM 4558 C C . ARG C 1 146 ? 20.607 13.926 -3.397 1.00 12.46 ? 146 ARG C C 1 ATOM 4559 O O . ARG C 1 146 ? 20.937 12.873 -2.861 1.00 11.21 ? 146 ARG C O 1 ATOM 4560 C CB . ARG C 1 146 ? 22.168 14.892 -5.160 1.00 17.89 ? 146 ARG C CB 1 ATOM 4561 C CG . ARG C 1 146 ? 23.353 14.309 -4.477 1.00 21.08 ? 146 ARG C CG 1 ATOM 4562 C CD . ARG C 1 146 ? 24.589 15.187 -4.708 1.00 24.75 ? 146 ARG C CD 1 ATOM 4563 N NE . ARG C 1 146 ? 25.778 14.602 -4.100 1.00 29.05 ? 146 ARG C NE 1 ATOM 4564 C CZ . ARG C 1 146 ? 26.712 13.920 -4.756 1.00 31.07 ? 146 ARG C CZ 1 ATOM 4565 N NH1 . ARG C 1 146 ? 26.612 13.711 -6.064 1.00 32.05 ? 146 ARG C NH1 1 ATOM 4566 N NH2 . ARG C 1 146 ? 27.754 13.440 -4.089 1.00 31.75 ? 146 ARG C NH2 1 ATOM 4567 N N . SER C 1 147 ? 19.989 14.896 -2.732 1.00 11.93 ? 147 SER C N 1 ATOM 4568 C CA . SER C 1 147 ? 19.787 14.839 -1.287 1.00 11.33 ? 147 SER C CA 1 ATOM 4569 C C . SER C 1 147 ? 18.650 13.894 -0.884 1.00 9.77 ? 147 SER C C 1 ATOM 4570 O O . SER C 1 147 ? 18.425 13.681 0.300 1.00 10.82 ? 147 SER C O 1 ATOM 4571 C CB . SER C 1 147 ? 19.540 16.255 -0.708 1.00 14.64 ? 147 SER C CB 1 ATOM 4572 O OG . SER C 1 147 ? 18.275 16.773 -1.094 1.00 17.20 ? 147 SER C OG 1 ATOM 4573 N N . GLN C 1 148 ? 17.938 13.343 -1.867 1.00 8.30 ? 148 GLN C N 1 ATOM 4574 C CA . GLN C 1 148 ? 16.886 12.344 -1.633 1.00 8.75 ? 148 GLN C CA 1 ATOM 4575 C C . GLN C 1 148 ? 17.223 10.988 -2.247 1.00 6.84 ? 148 GLN C C 1 ATOM 4576 O O . GLN C 1 148 ? 16.410 10.065 -2.224 1.00 7.62 ? 148 GLN C O 1 ATOM 4577 C CB . GLN C 1 148 ? 15.558 12.850 -2.219 1.00 9.45 ? 148 GLN C CB 1 ATOM 4578 C CG . GLN C 1 148 ? 15.141 14.177 -1.654 1.00 10.17 ? 148 GLN C CG 1 ATOM 4579 C CD . GLN C 1 148 ? 13.840 14.676 -2.235 1.00 11.70 ? 148 GLN C CD 1 ATOM 4580 O OE1 . GLN C 1 148 ? 13.634 14.649 -3.435 1.00 10.42 ? 148 GLN C OE1 1 ATOM 4581 N NE2 . GLN C 1 148 ? 12.937 15.108 -1.375 1.00 15.83 ? 148 GLN C NE2 1 ATOM 4582 N N . SER C 1 149 ? 18.417 10.868 -2.822 1.00 6.68 ? 149 SER C N 1 ATOM 4583 C CA . SER C 1 149 ? 18.807 9.646 -3.511 1.00 7.45 ? 149 SER C CA 1 ATOM 4584 C C . SER C 1 149 ? 19.034 8.506 -2.530 1.00 6.50 ? 149 SER C C 1 ATOM 4585 O O . SER C 1 149 ? 19.465 8.725 -1.407 1.00 7.05 ? 149 SER C O 1 ATOM 4586 C CB . SER C 1 149 ? 20.075 9.884 -4.337 1.00 8.44 ? 149 SER C CB 1 ATOM 4587 O OG . SER C 1 149 ? 21.197 10.198 -3.511 1.00 9.45 ? 149 SER C OG 1 ATOM 4588 N N . PHE C 1 150 ? 18.782 7.287 -2.981 1.00 6.03 ? 150 PHE C N 1 ATOM 4589 C CA . PHE C 1 150 ? 19.017 6.097 -2.166 1.00 5.29 ? 150 PHE C CA 1 ATOM 4590 C C . PHE C 1 150 ? 20.382 5.513 -2.471 1.00 6.45 ? 150 PHE C C 1 ATOM 4591 O O . PHE C 1 150 ? 20.711 5.262 -3.619 1.00 8.50 ? 150 PHE C O 1 ATOM 4592 C CB . PHE C 1 150 ? 17.953 5.028 -2.432 1.00 5.38 ? 150 PHE C CB 1 ATOM 4593 C CG . PHE C 1 150 ? 18.196 3.723 -1.697 1.00 5.83 ? 150 PHE C CG 1 ATOM 4594 C CD1 . PHE C 1 150 ? 17.787 3.574 -0.385 1.00 7.24 ? 150 PHE C CD1 1 ATOM 4595 C CD2 . PHE C 1 150 ? 18.823 2.656 -2.314 1.00 5.86 ? 150 PHE C CD2 1 ATOM 4596 C CE1 . PHE C 1 150 ? 18.004 2.397 0.294 1.00 7.02 ? 150 PHE C CE1 1 ATOM 4597 C CE2 . PHE C 1 150 ? 19.044 1.492 -1.631 1.00 7.22 ? 150 PHE C CE2 1 ATOM 4598 C CZ . PHE C 1 150 ? 18.617 1.356 -0.329 1.00 7.08 ? 150 PHE C CZ 1 ATOM 4599 N N . VAL C 1 151 ? 21.175 5.318 -1.426 1.00 5.64 ? 151 VAL C N 1 ATOM 4600 C CA . VAL C 1 151 ? 22.489 4.685 -1.529 1.00 5.77 ? 151 VAL C CA 1 ATOM 4601 C C . VAL C 1 151 ? 22.425 3.445 -0.700 1.00 5.15 ? 151 VAL C C 1 ATOM 4602 O O . VAL C 1 151 ? 22.077 3.524 0.479 1.00 6.24 ? 151 VAL C O 1 ATOM 4603 C CB . VAL C 1 151 ? 23.625 5.612 -1.011 1.00 7.10 ? 151 VAL C CB 1 ATOM 4604 C CG1 . VAL C 1 151 ? 25.001 4.956 -1.223 1.00 7.51 ? 151 VAL C CG1 1 ATOM 4605 C CG2 . VAL C 1 151 ? 23.558 6.951 -1.726 1.00 8.81 ? 151 VAL C CG2 1 ATOM 4606 N N . GLY C 1 152 ? 22.725 2.305 -1.297 1.00 5.71 ? 152 GLY C N 1 ATOM 4607 C CA . GLY C 1 152 ? 22.611 1.020 -0.622 1.00 5.67 ? 152 GLY C CA 1 ATOM 4608 C C . GLY C 1 152 ? 22.046 -0.034 -1.544 1.00 4.60 ? 152 GLY C C 1 ATOM 4609 O O . GLY C 1 152 ? 22.211 0.042 -2.769 1.00 5.89 ? 152 GLY C O 1 ATOM 4610 N N . GLU C 1 153 ? 21.365 -1.017 -0.958 1.00 4.52 ? 153 GLU C N 1 ATOM 4611 C CA . GLU C 1 153 ? 20.949 -2.211 -1.668 1.00 4.26 ? 153 GLU C CA 1 ATOM 4612 C C . GLU C 1 153 ? 19.460 -2.418 -1.510 1.00 4.22 ? 153 GLU C C 1 ATOM 4613 O O . GLU C 1 153 ? 18.922 -2.259 -0.420 1.00 4.77 ? 153 GLU C O 1 ATOM 4614 C CB . GLU C 1 153 ? 21.726 -3.424 -1.142 1.00 5.32 ? 153 GLU C CB 1 ATOM 4615 C CG . GLU C 1 153 ? 23.237 -3.205 -1.169 1.00 7.40 ? 153 GLU C CG 1 ATOM 4616 C CD . GLU C 1 153 ? 24.025 -4.399 -0.668 1.00 7.82 ? 153 GLU C CD 1 ATOM 4617 O OE1 . GLU C 1 153 ? 23.632 -5.537 -1.005 1.00 8.35 ? 153 GLU C OE1 1 ATOM 4618 O OE2 . GLU C 1 153 ? 25.034 -4.209 0.074 1.00 9.45 ? 153 GLU C OE2 1 ATOM 4619 N N . ILE C 1 154 ? 18.792 -2.792 -2.599 1.00 4.36 ? 154 ILE C N 1 ATOM 4620 C CA . ILE C 1 154 ? 17.374 -3.166 -2.572 1.00 4.94 ? 154 ILE C CA 1 ATOM 4621 C C . ILE C 1 154 ? 17.169 -4.505 -3.257 1.00 5.44 ? 154 ILE C C 1 ATOM 4622 O O . ILE C 1 154 ? 17.734 -4.751 -4.326 1.00 6.72 ? 154 ILE C O 1 ATOM 4623 C CB . ILE C 1 154 ? 16.475 -2.119 -3.286 1.00 8.18 ? 154 ILE C CB 1 ATOM 4624 C CG1 . ILE C 1 154 ? 16.462 -0.814 -2.506 1.00 9.90 ? 154 ILE C CG1 1 ATOM 4625 C CG2 . ILE C 1 154 ? 15.038 -2.648 -3.494 1.00 9.53 ? 154 ILE C CG2 1 ATOM 4626 C CD1 . ILE C 1 154 ? 15.812 0.353 -3.214 1.00 11.55 ? 154 ILE C CD1 1 ATOM 4627 N N . GLY C 1 155 ? 16.383 -5.376 -2.642 1.00 5.43 ? 155 GLY C N 1 ATOM 4628 C CA . GLY C 1 155 ? 16.015 -6.640 -3.267 1.00 7.41 ? 155 GLY C CA 1 ATOM 4629 C C . GLY C 1 155 ? 14.625 -7.115 -2.895 1.00 5.63 ? 155 GLY C C 1 ATOM 4630 O O . GLY C 1 155 ? 13.903 -6.458 -2.138 1.00 6.10 ? 155 GLY C O 1 ATOM 4631 N N . ASP C 1 156 ? 14.237 -8.257 -3.459 1.00 5.35 ? 156 ASP C N 1 ATOM 4632 C CA . ASP C 1 156 ? 13.010 -8.961 -3.097 1.00 5.47 ? 156 ASP C CA 1 ATOM 4633 C C . ASP C 1 156 ? 11.809 -8.037 -3.142 1.00 4.36 ? 156 ASP C C 1 ATOM 4634 O O . ASP C 1 156 ? 11.008 -7.989 -2.223 1.00 5.43 ? 156 ASP C O 1 ATOM 4635 C CB . ASP C 1 156 ? 13.145 -9.637 -1.708 1.00 7.47 ? 156 ASP C CB 1 ATOM 4636 C CG . ASP C 1 156 ? 14.048 -10.852 -1.727 1.00 11.72 ? 156 ASP C CG 1 ATOM 4637 O OD1 . ASP C 1 156 ? 14.396 -11.328 -2.826 1.00 14.86 ? 156 ASP C OD1 1 ATOM 4638 O OD2 . ASP C 1 156 ? 14.409 -11.340 -0.640 1.00 13.09 ? 156 ASP C OD2 1 ATOM 4639 N N . LEU C 1 157 ? 11.661 -7.332 -4.244 1.00 4.76 ? 157 LEU C N 1 ATOM 4640 C CA . LEU C 1 157 ? 10.564 -6.376 -4.397 1.00 4.93 ? 157 LEU C CA 1 ATOM 4641 C C . LEU C 1 157 ? 9.391 -7.002 -5.144 1.00 4.73 ? 157 LEU C C 1 ATOM 4642 O O . LEU C 1 157 ? 9.546 -7.586 -6.231 1.00 5.35 ? 157 LEU C O 1 ATOM 4643 C CB . LEU C 1 157 ? 11.049 -5.113 -5.099 1.00 5.62 ? 157 LEU C CB 1 ATOM 4644 C CG . LEU C 1 157 ? 10.048 -3.954 -5.160 1.00 6.28 ? 157 LEU C CG 1 ATOM 4645 C CD1 . LEU C 1 157 ? 10.786 -2.618 -5.201 1.00 8.44 ? 157 LEU C CD1 1 ATOM 4646 C CD2 . LEU C 1 157 ? 9.101 -4.073 -6.334 1.00 7.74 ? 157 LEU C CD2 1 ATOM 4647 N N . TYR C 1 158 ? 8.208 -6.875 -4.544 1.00 4.58 ? 158 TYR C N 1 ATOM 4648 C CA . TYR C 1 158 ? 6.966 -7.428 -5.067 1.00 5.14 ? 158 TYR C CA 1 ATOM 4649 C C . TYR C 1 158 ? 5.858 -6.420 -4.837 1.00 4.90 ? 158 TYR C C 1 ATOM 4650 O O . TYR C 1 158 ? 5.844 -5.717 -3.813 1.00 5.54 ? 158 TYR C O 1 ATOM 4651 C CB . TYR C 1 158 ? 6.605 -8.737 -4.362 1.00 6.56 ? 158 TYR C CB 1 ATOM 4652 C CG . TYR C 1 158 ? 7.625 -9.817 -4.548 1.00 6.23 ? 158 TYR C CG 1 ATOM 4653 C CD1 . TYR C 1 158 ? 8.712 -9.919 -3.705 1.00 6.46 ? 158 TYR C CD1 1 ATOM 4654 C CD2 . TYR C 1 158 ? 7.536 -10.718 -5.606 1.00 7.02 ? 158 TYR C CD2 1 ATOM 4655 C CE1 . TYR C 1 158 ? 9.662 -10.892 -3.888 1.00 7.02 ? 158 TYR C CE1 1 ATOM 4656 C CE2 . TYR C 1 158 ? 8.477 -11.684 -5.786 1.00 8.03 ? 158 TYR C CE2 1 ATOM 4657 C CZ . TYR C 1 158 ? 9.531 -11.773 -4.924 1.00 7.89 ? 158 TYR C CZ 1 ATOM 4658 O OH . TYR C 1 158 ? 10.469 -12.765 -5.122 1.00 10.04 ? 158 TYR C OH 1 ATOM 4659 N N . MET C 1 159 ? 4.921 -6.352 -5.772 1.00 4.71 ? 159 MET C N 1 ATOM 4660 C CA . MET C 1 159 ? 3.774 -5.476 -5.630 1.00 5.29 ? 159 MET C CA 1 ATOM 4661 C C . MET C 1 159 ? 2.541 -6.205 -6.129 1.00 5.26 ? 159 MET C C 1 ATOM 4662 O O . MET C 1 159 ? 2.554 -6.824 -7.196 1.00 6.61 ? 159 MET C O 1 ATOM 4663 C CB . MET C 1 159 ? 4.001 -4.159 -6.359 1.00 6.20 ? 159 MET C CB 1 ATOM 4664 C CG . MET C 1 159 ? 2.949 -3.096 -6.042 1.00 7.60 ? 159 MET C CG 1 ATOM 4665 S SD . MET C 1 159 ? 3.359 -1.537 -6.863 1.00 9.87 ? 159 MET C SD 1 ATOM 4666 C CE . MET C 1 159 ? 1.971 -0.528 -6.343 1.00 11.91 ? 159 MET C CE 1 ATOM 4667 N N . TRP C 1 160 ? 1.498 -6.152 -5.322 1.00 5.55 ? 160 TRP C N 1 ATOM 4668 C CA . TRP C 1 160 ? 0.216 -6.798 -5.551 1.00 6.00 ? 160 TRP C CA 1 ATOM 4669 C C . TRP C 1 160 ? -0.876 -5.743 -5.681 1.00 6.93 ? 160 TRP C C 1 ATOM 4670 O O . TRP C 1 160 ? -0.835 -4.713 -5.004 1.00 7.83 ? 160 TRP C O 1 ATOM 4671 C CB . TRP C 1 160 ? -0.143 -7.662 -4.349 1.00 6.04 ? 160 TRP C CB 1 ATOM 4672 C CG . TRP C 1 160 ? 0.746 -8.826 -4.035 1.00 6.45 ? 160 TRP C CG 1 ATOM 4673 C CD1 . TRP C 1 160 ? 0.524 -10.112 -4.376 1.00 7.36 ? 160 TRP C CD1 1 ATOM 4674 C CD2 . TRP C 1 160 ? 1.969 -8.821 -3.274 1.00 5.89 ? 160 TRP C CD2 1 ATOM 4675 N NE1 . TRP C 1 160 ? 1.521 -10.917 -3.880 1.00 7.05 ? 160 TRP C NE1 1 ATOM 4676 C CE2 . TRP C 1 160 ? 2.425 -10.148 -3.203 1.00 6.32 ? 160 TRP C CE2 1 ATOM 4677 C CE3 . TRP C 1 160 ? 2.716 -7.826 -2.648 1.00 6.53 ? 160 TRP C CE3 1 ATOM 4678 C CZ2 . TRP C 1 160 ? 3.607 -10.509 -2.552 1.00 6.13 ? 160 TRP C CZ2 1 ATOM 4679 C CZ3 . TRP C 1 160 ? 3.871 -8.190 -1.976 1.00 6.13 ? 160 TRP C CZ3 1 ATOM 4680 C CH2 . TRP C 1 160 ? 4.314 -9.517 -1.939 1.00 6.68 ? 160 TRP C CH2 1 ATOM 4681 N N . ASP C 1 161 ? -1.912 -6.046 -6.458 1.00 8.31 ? 161 ASP C N 1 ATOM 4682 C CA . ASP C 1 161 ? -3.070 -5.154 -6.571 1.00 9.75 ? 161 ASP C CA 1 ATOM 4683 C C . ASP C 1 161 ? -4.153 -5.454 -5.528 1.00 9.93 ? 161 ASP C C 1 ATOM 4684 O O . ASP C 1 161 ? -5.322 -5.164 -5.743 1.00 11.76 ? 161 ASP C O 1 ATOM 4685 C CB . ASP C 1 161 ? -3.651 -5.183 -7.990 1.00 12.73 ? 161 ASP C CB 1 ATOM 4686 C CG . ASP C 1 161 ? -4.463 -6.439 -8.278 1.00 15.80 ? 161 ASP C CG 1 ATOM 4687 O OD1 . ASP C 1 161 ? -4.329 -7.440 -7.535 1.00 15.23 ? 161 ASP C OD1 1 ATOM 4688 O OD2 . ASP C 1 161 ? -5.234 -6.433 -9.284 1.00 18.86 ? 161 ASP C OD2 1 ATOM 4689 N N . SER C 1 162 ? -3.749 -5.954 -4.364 1.00 8.03 ? 162 SER C N 1 ATOM 4690 C CA . SER C 1 162 ? -4.675 -6.221 -3.269 1.00 8.64 ? 162 SER C CA 1 ATOM 4691 C C . SER C 1 162 ? -3.948 -5.944 -1.963 1.00 8.35 ? 162 SER C C 1 ATOM 4692 O O . SER C 1 162 ? -2.743 -5.774 -1.945 1.00 8.50 ? 162 SER C O 1 ATOM 4693 C CB . SER C 1 162 ? -5.140 -7.678 -3.310 1.00 10.90 ? 162 SER C CB 1 ATOM 4694 O OG . SER C 1 162 ? -4.040 -8.564 -3.154 1.00 12.50 ? 162 SER C OG 1 ATOM 4695 N N . VAL C 1 163 ? -4.706 -5.896 -0.877 1.00 9.28 ? 163 VAL C N 1 ATOM 4696 C CA . VAL C 1 163 ? -4.145 -5.761 0.466 1.00 9.45 ? 163 VAL C CA 1 ATOM 4697 C C . VAL C 1 163 ? -3.839 -7.145 1.036 1.00 9.55 ? 163 VAL C C 1 ATOM 4698 O O . VAL C 1 163 ? -4.746 -7.957 1.268 1.00 10.93 ? 163 VAL C O 1 ATOM 4699 C CB . VAL C 1 163 ? -5.129 -5.035 1.404 1.00 9.63 ? 163 VAL C CB 1 ATOM 4700 C CG1 . VAL C 1 163 ? -4.612 -5.008 2.826 1.00 9.63 ? 163 VAL C CG1 1 ATOM 4701 C CG2 . VAL C 1 163 ? -5.386 -3.621 0.897 1.00 11.22 ? 163 VAL C CG2 1 ATOM 4702 N N . LEU C 1 164 ? -2.564 -7.426 1.258 1.00 9.01 ? 164 LEU C N 1 ATOM 4703 C CA . LEU C 1 164 ? -2.196 -8.739 1.781 1.00 10.23 ? 164 LEU C CA 1 ATOM 4704 C C . LEU C 1 164 ? -2.626 -8.871 3.233 1.00 10.49 ? 164 LEU C C 1 ATOM 4705 O O . LEU C 1 164 ? -2.421 -7.955 4.034 1.00 10.14 ? 164 LEU C O 1 ATOM 4706 C CB . LEU C 1 164 ? -0.685 -8.983 1.712 1.00 11.18 ? 164 LEU C CB 1 ATOM 4707 C CG . LEU C 1 164 ? -0.021 -9.116 0.346 1.00 12.12 ? 164 LEU C CG 1 ATOM 4708 C CD1 . LEU C 1 164 ? 1.434 -9.515 0.541 1.00 13.40 ? 164 LEU C CD1 1 ATOM 4709 C CD2 . LEU C 1 164 ? -0.719 -10.111 -0.523 1.00 13.93 ? 164 LEU C CD2 1 ATOM 4710 N N . PRO C 1 165 ? -3.144 -10.043 3.596 1.00 11.25 ? 165 PRO C N 1 ATOM 4711 C CA . PRO C 1 165 ? -3.390 -10.356 5.006 1.00 10.97 ? 165 PRO C CA 1 ATOM 4712 C C . PRO C 1 165 ? -2.085 -10.637 5.746 1.00 9.82 ? 165 PRO C C 1 ATOM 4713 O O . PRO C 1 165 ? -1.071 -10.936 5.113 1.00 8.87 ? 165 PRO C O 1 ATOM 4714 C CB . PRO C 1 165 ? -4.245 -11.615 4.925 1.00 11.93 ? 165 PRO C CB 1 ATOM 4715 C CG . PRO C 1 165 ? -3.830 -12.275 3.687 1.00 12.05 ? 165 PRO C CG 1 ATOM 4716 C CD . PRO C 1 165 ? -3.501 -11.163 2.715 1.00 11.24 ? 165 PRO C CD 1 ATOM 4717 N N . PRO C 1 166 ? -2.091 -10.556 7.077 1.00 10.35 ? 166 PRO C N 1 ATOM 4718 C CA . PRO C 1 166 ? -0.866 -10.727 7.853 1.00 9.75 ? 166 PRO C CA 1 ATOM 4719 C C . PRO C 1 166 ? -0.046 -11.965 7.512 1.00 9.38 ? 166 PRO C C 1 ATOM 4720 O O . PRO C 1 166 ? 1.159 -11.856 7.372 1.00 9.65 ? 166 PRO C O 1 ATOM 4721 C CB . PRO C 1 166 ? -1.389 -10.784 9.291 1.00 9.96 ? 166 PRO C CB 1 ATOM 4722 C CG . PRO C 1 166 ? -2.564 -9.871 9.254 1.00 11.19 ? 166 PRO C CG 1 ATOM 4723 C CD . PRO C 1 166 ? -3.222 -10.157 7.938 1.00 10.65 ? 166 PRO C CD 1 ATOM 4724 N N . GLU C 1 167 ? -0.677 -13.119 7.360 1.00 8.48 ? 167 GLU C N 1 ATOM 4725 C CA . GLU C 1 167 ? 0.106 -14.333 7.133 1.00 8.35 ? 167 GLU C CA 1 ATOM 4726 C C . GLU C 1 167 ? 0.788 -14.325 5.760 1.00 7.68 ? 167 GLU C C 1 ATOM 4727 O O . GLU C 1 167 ? 1.790 -14.989 5.575 1.00 7.79 ? 167 GLU C O 1 ATOM 4728 C CB . GLU C 1 167 ? -0.748 -15.592 7.362 1.00 9.77 ? 167 GLU C CB 1 ATOM 4729 C CG . GLU C 1 167 ? -1.196 -15.775 8.820 1.00 11.76 ? 167 GLU C CG 1 ATOM 4730 C CD . GLU C 1 167 ? -1.996 -17.058 9.036 1.00 13.89 ? 167 GLU C CD 1 ATOM 4731 O OE1 . GLU C 1 167 ? -1.701 -18.073 8.361 1.00 13.54 ? 167 GLU C OE1 1 ATOM 4732 O OE2 . GLU C 1 167 ? -2.906 -17.062 9.901 1.00 16.74 ? 167 GLU C OE2 1 ATOM 4733 N N . ASN C 1 168 ? 0.279 -13.548 4.816 1.00 6.61 ? 168 ASN C N 1 ATOM 4734 C CA . ASN C 1 168 ? 0.938 -13.433 3.518 1.00 7.00 ? 168 ASN C CA 1 ATOM 4735 C C . ASN C 1 168 ? 2.083 -12.430 3.539 1.00 7.10 ? 168 ASN C C 1 ATOM 4736 O O . ASN C 1 168 ? 3.045 -12.575 2.801 1.00 8.10 ? 168 ASN C O 1 ATOM 4737 C CB . ASN C 1 168 ? -0.061 -13.104 2.406 1.00 8.95 ? 168 ASN C CB 1 ATOM 4738 C CG . ASN C 1 168 ? -0.963 -14.270 2.101 1.00 9.82 ? 168 ASN C CG 1 ATOM 4739 O OD1 . ASN C 1 168 ? -0.786 -15.338 2.674 1.00 10.30 ? 168 ASN C OD1 1 ATOM 4740 N ND2 . ASN C 1 168 ? -1.933 -14.078 1.222 1.00 10.91 ? 168 ASN C ND2 1 ATOM 4741 N N . ILE C 1 169 ? 1.967 -11.413 4.379 1.00 7.60 ? 169 ILE C N 1 ATOM 4742 C CA . ILE C 1 169 ? 3.069 -10.501 4.641 1.00 7.83 ? 169 ILE C CA 1 ATOM 4743 C C . ILE C 1 169 ? 4.208 -11.285 5.279 1.00 7.50 ? 169 ILE C C 1 ATOM 4744 O O . ILE C 1 169 ? 5.371 -11.142 4.892 1.00 7.77 ? 169 ILE C O 1 ATOM 4745 C CB . ILE C 1 169 ? 2.606 -9.371 5.546 1.00 8.91 ? 169 ILE C CB 1 ATOM 4746 C CG1 . ILE C 1 169 ? 1.563 -8.524 4.798 1.00 11.95 ? 169 ILE C CG1 1 ATOM 4747 C CG2 . ILE C 1 169 ? 3.784 -8.507 5.974 1.00 8.56 ? 169 ILE C CG2 1 ATOM 4748 C CD1 . ILE C 1 169 ? 0.878 -7.526 5.639 1.00 13.63 ? 169 ILE C CD1 1 ATOM 4749 N N . LEU C 1 170 ? 3.879 -12.105 6.263 1.00 8.16 ? 170 LEU C N 1 ATOM 4750 C CA . LEU C 1 170 ? 4.896 -12.923 6.898 1.00 9.50 ? 170 LEU C CA 1 ATOM 4751 C C . LEU C 1 170 ? 5.574 -13.869 5.924 1.00 8.33 ? 170 LEU C C 1 ATOM 4752 O O . LEU C 1 170 ? 6.777 -14.053 6.000 1.00 8.65 ? 170 LEU C O 1 ATOM 4753 C CB . LEU C 1 170 ? 4.329 -13.677 8.095 1.00 12.90 ? 170 LEU C CB 1 ATOM 4754 C CG . LEU C 1 170 ? 3.905 -12.789 9.257 1.00 17.61 ? 170 LEU C CG 1 ATOM 4755 C CD1 . LEU C 1 170 ? 3.285 -13.656 10.338 1.00 18.98 ? 170 LEU C CD1 1 ATOM 4756 C CD2 . LEU C 1 170 ? 5.072 -11.985 9.805 1.00 19.61 ? 170 LEU C CD2 1 ATOM 4757 N N . SER C 1 171 ? 4.805 -14.470 5.011 1.00 7.82 ? 171 SER C N 1 ATOM 4758 C CA . SER C 1 171 ? 5.389 -15.362 4.025 1.00 8.80 ? 171 SER C CA 1 ATOM 4759 C C . SER C 1 171 ? 6.422 -14.580 3.189 1.00 7.95 ? 171 SER C C 1 ATOM 4760 O O . SER C 1 171 ? 7.525 -15.058 2.955 1.00 8.10 ? 171 SER C O 1 ATOM 4761 C CB . SER C 1 171 ? 4.306 -16.002 3.155 1.00 10.01 ? 171 SER C CB 1 ATOM 4762 O OG . SER C 1 171 ? 4.683 -17.322 2.740 1.00 10.98 ? 171 SER C OG 1 ATOM 4763 N N . ALA C 1 172 ? 6.084 -13.362 2.772 1.00 7.59 ? 172 ALA C N 1 ATOM 4764 C CA . ALA C 1 172 ? 7.049 -12.525 2.051 1.00 7.48 ? 172 ALA C CA 1 ATOM 4765 C C . ALA C 1 172 ? 8.301 -12.208 2.900 1.00 7.40 ? 172 ALA C C 1 ATOM 4766 O O . ALA C 1 172 ? 9.443 -12.321 2.424 1.00 7.95 ? 172 ALA C O 1 ATOM 4767 C CB . ALA C 1 172 ? 6.378 -11.222 1.566 1.00 8.74 ? 172 ALA C CB 1 ATOM 4768 N N . TYR C 1 173 ? 8.103 -11.831 4.160 1.00 7.44 ? 173 TYR C N 1 ATOM 4769 C CA . TYR C 1 173 ? 9.227 -11.528 5.061 1.00 8.66 ? 173 TYR C CA 1 ATOM 4770 C C . TYR C 1 173 ? 10.181 -12.737 5.177 1.00 8.87 ? 173 TYR C C 1 ATOM 4771 O O . TYR C 1 173 ? 11.406 -12.585 5.192 1.00 10.27 ? 173 TYR C O 1 ATOM 4772 C CB . TYR C 1 173 ? 8.677 -11.135 6.438 1.00 9.53 ? 173 TYR C CB 1 ATOM 4773 C CG . TYR C 1 173 ? 9.705 -11.027 7.534 1.00 9.71 ? 173 TYR C CG 1 ATOM 4774 C CD1 . TYR C 1 173 ? 10.763 -10.149 7.428 1.00 10.03 ? 173 TYR C CD1 1 ATOM 4775 C CD2 . TYR C 1 173 ? 9.612 -11.805 8.675 1.00 11.89 ? 173 TYR C CD2 1 ATOM 4776 C CE1 . TYR C 1 173 ? 11.705 -10.046 8.412 1.00 11.51 ? 173 TYR C CE1 1 ATOM 4777 C CE2 . TYR C 1 173 ? 10.536 -11.692 9.678 1.00 13.39 ? 173 TYR C CE2 1 ATOM 4778 C CZ . TYR C 1 173 ? 11.589 -10.814 9.533 1.00 13.85 ? 173 TYR C CZ 1 ATOM 4779 O OH . TYR C 1 173 ? 12.541 -10.680 10.507 1.00 17.24 ? 173 TYR C OH 1 ATOM 4780 N N . GLN C 1 174 ? 9.603 -13.934 5.203 1.00 9.08 ? 174 GLN C N 1 ATOM 4781 C CA . GLN C 1 174 ? 10.363 -15.181 5.299 1.00 11.34 ? 174 GLN C CA 1 ATOM 4782 C C . GLN C 1 174 ? 11.006 -15.636 3.998 1.00 12.31 ? 174 GLN C C 1 ATOM 4783 O O . GLN C 1 174 ? 11.703 -16.639 3.988 1.00 14.50 ? 174 GLN C O 1 ATOM 4784 C CB . GLN C 1 174 ? 9.466 -16.309 5.796 1.00 12.62 ? 174 GLN C CB 1 ATOM 4785 C CG . GLN C 1 174 ? 9.013 -16.116 7.197 1.00 15.96 ? 174 GLN C CG 1 ATOM 4786 C CD . GLN C 1 174 ? 7.751 -16.865 7.464 1.00 19.69 ? 174 GLN C CD 1 ATOM 4787 O OE1 . GLN C 1 174 ? 7.317 -17.669 6.641 1.00 20.13 ? 174 GLN C OE1 1 ATOM 4788 N NE2 . GLN C 1 174 ? 7.127 -16.588 8.593 1.00 22.49 ? 174 GLN C NE2 1 ATOM 4789 N N . GLY C 1 175 ? 10.753 -14.923 2.908 1.00 11.58 ? 175 GLY C N 1 ATOM 4790 C CA . GLY C 1 175 ? 11.379 -15.227 1.639 1.00 11.83 ? 175 GLY C CA 1 ATOM 4791 C C . GLY C 1 175 ? 10.559 -16.103 0.707 1.00 12.02 ? 175 GLY C C 1 ATOM 4792 O O . GLY C 1 175 ? 11.081 -16.617 -0.288 1.00 13.03 ? 175 GLY C O 1 ATOM 4793 N N . THR C 1 176 ? 9.277 -16.265 1.031 1.00 10.08 ? 176 THR C N 1 ATOM 4794 C CA . THR C 1 176 ? 8.347 -17.031 0.207 1.00 10.34 ? 176 THR C CA 1 ATOM 4795 C C . THR C 1 176 ? 7.078 -16.235 -0.108 1.00 9.10 ? 176 THR C C 1 ATOM 4796 O O . THR C 1 176 ? 5.990 -16.591 0.336 1.00 9.75 ? 176 THR C O 1 ATOM 4797 C CB . THR C 1 176 ? 7.981 -18.360 0.877 1.00 11.26 ? 176 THR C CB 1 ATOM 4798 O OG1 . THR C 1 176 ? 7.398 -18.122 2.162 1.00 11.01 ? 176 THR C OG1 1 ATOM 4799 C CG2 . THR C 1 176 ? 9.225 -19.214 1.052 1.00 12.43 ? 176 THR C CG2 1 ATOM 4800 N N . PRO C 1 177 ? 7.218 -15.141 -0.871 1.00 10.04 ? 177 PRO C N 1 ATOM 4801 C CA . PRO C 1 177 ? 6.058 -14.305 -1.189 1.00 10.19 ? 177 PRO C CA 1 ATOM 4802 C C . PRO C 1 177 ? 5.036 -15.055 -2.050 1.00 10.81 ? 177 PRO C C 1 ATOM 4803 O O . PRO C 1 177 ? 5.383 -15.911 -2.861 1.00 12.13 ? 177 PRO C O 1 ATOM 4804 C CB . PRO C 1 177 ? 6.668 -13.156 -1.985 1.00 11.28 ? 177 PRO C CB 1 ATOM 4805 C CG . PRO C 1 177 ? 7.921 -13.749 -2.590 1.00 12.10 ? 177 PRO C CG 1 ATOM 4806 C CD . PRO C 1 177 ? 8.451 -14.633 -1.514 1.00 11.24 ? 177 PRO C CD 1 ATOM 4807 N N . LEU C 1 178 ? 3.772 -14.746 -1.838 1.00 9.90 ? 178 LEU C N 1 ATOM 4808 C CA . LEU C 1 178 ? 2.706 -15.267 -2.690 1.00 10.11 ? 178 LEU C CA 1 ATOM 4809 C C . LEU C 1 178 ? 2.753 -14.563 -4.046 1.00 10.19 ? 178 LEU C C 1 ATOM 4810 O O . LEU C 1 178 ? 3.313 -13.465 -4.172 1.00 10.02 ? 178 LEU C O 1 ATOM 4811 C CB . LEU C 1 178 ? 1.349 -15.028 -2.028 1.00 11.46 ? 178 LEU C CB 1 ATOM 4812 C CG . LEU C 1 178 ? 0.927 -15.950 -0.875 1.00 12.51 ? 178 LEU C CG 1 ATOM 4813 C CD1 . LEU C 1 178 ? 0.793 -17.358 -1.379 1.00 13.87 ? 178 LEU C CD1 1 ATOM 4814 C CD2 . LEU C 1 178 ? 1.858 -15.893 0.332 1.00 12.17 ? 178 LEU C CD2 1 ATOM 4815 N N . PRO C 1 179 ? 2.156 -15.193 -5.076 1.00 11.11 ? 179 PRO C N 1 ATOM 4816 C CA . PRO C 1 179 ? 2.242 -14.628 -6.431 1.00 11.48 ? 179 PRO C CA 1 ATOM 4817 C C . PRO C 1 179 ? 1.811 -13.171 -6.502 1.00 10.80 ? 179 PRO C C 1 ATOM 4818 O O . PRO C 1 179 ? 0.748 -12.831 -5.994 1.00 11.30 ? 179 PRO C O 1 ATOM 4819 C CB . PRO C 1 179 ? 1.273 -15.512 -7.230 1.00 12.12 ? 179 PRO C CB 1 ATOM 4820 C CG . PRO C 1 179 ? 1.361 -16.825 -6.530 1.00 12.53 ? 179 PRO C CG 1 ATOM 4821 C CD . PRO C 1 179 ? 1.428 -16.480 -5.074 1.00 12.25 ? 179 PRO C CD 1 ATOM 4822 N N . ALA C 1 180 ? 2.632 -12.350 -7.161 1.00 9.91 ? 180 ALA C N 1 ATOM 4823 C CA . ALA C 1 180 ? 2.443 -10.901 -7.234 1.00 8.60 ? 180 ALA C CA 1 ATOM 4824 C C . ALA C 1 180 ? 2.197 -10.486 -8.660 1.00 10.11 ? 180 ALA C C 1 ATOM 4825 O O . ALA C 1 180 ? 2.915 -10.920 -9.553 1.00 13.81 ? 180 ALA C O 1 ATOM 4826 C CB . ALA C 1 180 ? 3.675 -10.176 -6.667 1.00 9.39 ? 180 ALA C CB 1 ATOM 4827 N N . ASN C 1 181 ? 1.215 -9.614 -8.866 1.00 8.82 ? 181 ASN C N 1 ATOM 4828 C CA . ASN C 1 181 ? 0.719 -9.323 -10.209 1.00 10.14 ? 181 ASN C CA 1 ATOM 4829 C C . ASN C 1 181 ? 0.985 -7.918 -10.748 1.00 10.57 ? 181 ASN C C 1 ATOM 4830 O O . ASN C 1 181 ? 0.632 -7.642 -11.888 1.00 12.28 ? 181 ASN C O 1 ATOM 4831 C CB . ASN C 1 181 ? -0.782 -9.655 -10.313 1.00 11.05 ? 181 ASN C CB 1 ATOM 4832 C CG . ASN C 1 181 ? -1.652 -8.884 -9.320 1.00 12.37 ? 181 ASN C CG 1 ATOM 4833 O OD1 . ASN C 1 181 ? -1.174 -8.077 -8.512 1.00 11.01 ? 181 ASN C OD1 1 ATOM 4834 N ND2 . ASN C 1 181 ? -2.954 -9.130 -9.398 1.00 14.48 ? 181 ASN C ND2 1 ATOM 4835 N N . ILE C 1 182 ? 1.597 -7.034 -9.967 1.00 8.37 ? 182 ILE C N 1 ATOM 4836 C CA . ILE C 1 182 ? 2.025 -5.727 -10.491 1.00 7.98 ? 182 ILE C CA 1 ATOM 4837 C C . ILE C 1 182 ? 3.535 -5.696 -10.738 1.00 7.70 ? 182 ILE C C 1 ATOM 4838 O O . ILE C 1 182 ? 3.984 -5.293 -11.816 1.00 9.55 ? 182 ILE C O 1 ATOM 4839 C CB . ILE C 1 182 ? 1.610 -4.543 -9.558 1.00 9.04 ? 182 ILE C CB 1 ATOM 4840 C CG1 . ILE C 1 182 ? 0.089 -4.492 -9.399 1.00 10.07 ? 182 ILE C CG1 1 ATOM 4841 C CG2 . ILE C 1 182 ? 2.123 -3.232 -10.113 1.00 9.67 ? 182 ILE C CG2 1 ATOM 4842 C CD1 . ILE C 1 182 ? -0.420 -3.438 -8.410 1.00 11.15 ? 182 ILE C CD1 1 ATOM 4843 N N . LEU C 1 183 ? 4.316 -6.032 -9.712 1.00 6.67 ? 183 LEU C N 1 ATOM 4844 C CA . LEU C 1 183 ? 5.765 -6.169 -9.845 1.00 6.35 ? 183 LEU C CA 1 ATOM 4845 C C . LEU C 1 183 ? 6.183 -7.467 -9.186 1.00 6.54 ? 183 LEU C C 1 ATOM 4846 O O . LEU C 1 183 ? 5.675 -7.822 -8.151 1.00 6.15 ? 183 LEU C O 1 ATOM 4847 C CB . LEU C 1 183 ? 6.517 -4.995 -9.208 1.00 6.21 ? 183 LEU C CB 1 ATOM 4848 C CG . LEU C 1 183 ? 6.306 -3.633 -9.869 1.00 7.46 ? 183 LEU C CG 1 ATOM 4849 C CD1 . LEU C 1 183 ? 6.836 -2.496 -9.004 1.00 8.41 ? 183 LEU C CD1 1 ATOM 4850 C CD2 . LEU C 1 183 ? 6.948 -3.609 -11.251 1.00 9.15 ? 183 LEU C CD2 1 ATOM 4851 N N . ASP C 1 184 ? 7.143 -8.155 -9.785 1.00 6.57 ? 184 ASP C N 1 ATOM 4852 C CA . ASP C 1 184 ? 7.556 -9.472 -9.327 1.00 7.55 ? 184 ASP C CA 1 ATOM 4853 C C . ASP C 1 184 ? 9.065 -9.598 -9.511 1.00 6.66 ? 184 ASP C C 1 ATOM 4854 O O . ASP C 1 184 ? 9.553 -9.600 -10.635 1.00 7.43 ? 184 ASP C O 1 ATOM 4855 C CB . ASP C 1 184 ? 6.789 -10.496 -10.174 1.00 10.17 ? 184 ASP C CB 1 ATOM 4856 C CG . ASP C 1 184 ? 7.017 -11.925 -9.771 1.00 12.03 ? 184 ASP C CG 1 ATOM 4857 O OD1 . ASP C 1 184 ? 7.940 -12.250 -8.988 1.00 11.37 ? 184 ASP C OD1 1 ATOM 4858 O OD2 . ASP C 1 184 ? 6.220 -12.749 -10.291 1.00 13.85 ? 184 ASP C OD2 1 ATOM 4859 N N . TRP C 1 185 ? 9.812 -9.693 -8.415 1.00 6.17 ? 185 TRP C N 1 ATOM 4860 C CA . TRP C 1 185 ? 11.274 -9.823 -8.435 1.00 5.77 ? 185 TRP C CA 1 ATOM 4861 C C . TRP C 1 185 ? 11.747 -11.012 -9.250 1.00 6.52 ? 185 TRP C C 1 ATOM 4862 O O . TRP C 1 185 ? 12.857 -10.983 -9.765 1.00 6.76 ? 185 TRP C O 1 ATOM 4863 C CB . TRP C 1 185 ? 11.805 -9.949 -6.985 1.00 6.06 ? 185 TRP C CB 1 ATOM 4864 C CG . TRP C 1 185 ? 13.228 -9.568 -6.792 1.00 6.23 ? 185 TRP C CG 1 ATOM 4865 C CD1 . TRP C 1 185 ? 14.247 -10.386 -6.392 1.00 6.46 ? 185 TRP C CD1 1 ATOM 4866 C CD2 . TRP C 1 185 ? 13.800 -8.268 -6.949 1.00 6.59 ? 185 TRP C CD2 1 ATOM 4867 N NE1 . TRP C 1 185 ? 15.422 -9.666 -6.290 1.00 7.16 ? 185 TRP C NE1 1 ATOM 4868 C CE2 . TRP C 1 185 ? 15.174 -8.365 -6.628 1.00 6.62 ? 185 TRP C CE2 1 ATOM 4869 C CE3 . TRP C 1 185 ? 13.288 -7.035 -7.322 1.00 6.38 ? 185 TRP C CE3 1 ATOM 4870 C CZ2 . TRP C 1 185 ? 16.035 -7.270 -6.700 1.00 7.19 ? 185 TRP C CZ2 1 ATOM 4871 C CZ3 . TRP C 1 185 ? 14.137 -5.934 -7.352 1.00 7.58 ? 185 TRP C CZ3 1 ATOM 4872 C CH2 . TRP C 1 185 ? 15.493 -6.063 -7.049 1.00 7.62 ? 185 TRP C CH2 1 ATOM 4873 N N . GLN C 1 186 ? 10.903 -12.045 -9.360 1.00 7.11 ? 186 GLN C N 1 ATOM 4874 C CA . GLN C 1 186 ? 11.262 -13.255 -10.107 1.00 7.73 ? 186 GLN C CA 1 ATOM 4875 C C . GLN C 1 186 ? 10.957 -13.168 -11.599 1.00 7.73 ? 186 GLN C C 1 ATOM 4876 O O . GLN C 1 186 ? 11.266 -14.102 -12.349 1.00 9.35 ? 186 GLN C O 1 ATOM 4877 C CB . GLN C 1 186 ? 10.581 -14.484 -9.502 1.00 9.47 ? 186 GLN C CB 1 ATOM 4878 C CG . GLN C 1 186 ? 11.093 -14.690 -8.095 1.00 12.68 ? 186 GLN C CG 1 ATOM 4879 C CD . GLN C 1 186 ? 10.358 -15.727 -7.344 1.00 15.65 ? 186 GLN C CD 1 ATOM 4880 O OE1 . GLN C 1 186 ? 10.172 -16.850 -7.819 1.00 19.61 ? 186 GLN C OE1 1 ATOM 4881 N NE2 . GLN C 1 186 ? 9.920 -15.364 -6.140 1.00 15.81 ? 186 GLN C NE2 1 ATOM 4882 N N . ALA C 1 187 ? 10.335 -12.073 -12.023 1.00 7.95 ? 187 ALA C N 1 ATOM 4883 C CA . ALA C 1 187 ? 10.089 -11.812 -13.445 1.00 7.74 ? 187 ALA C CA 1 ATOM 4884 C C . ALA C 1 187 ? 9.941 -10.309 -13.631 1.00 7.50 ? 187 ALA C C 1 ATOM 4885 O O . ALA C 1 187 ? 8.851 -9.786 -13.878 1.00 8.02 ? 187 ALA C O 1 ATOM 4886 C CB . ALA C 1 187 ? 8.855 -12.563 -13.941 1.00 8.79 ? 187 ALA C CB 1 ATOM 4887 N N . LEU C 1 188 ? 11.061 -9.608 -13.470 1.00 7.56 ? 188 LEU C N 1 ATOM 4888 C CA . LEU C 1 188 ? 11.064 -8.156 -13.369 1.00 6.59 ? 188 LEU C CA 1 ATOM 4889 C C . LEU C 1 188 ? 11.533 -7.527 -14.667 1.00 7.05 ? 188 LEU C C 1 ATOM 4890 O O . LEU C 1 188 ? 12.536 -7.939 -15.242 1.00 7.86 ? 188 LEU C O 1 ATOM 4891 C CB . LEU C 1 188 ? 11.984 -7.744 -12.212 1.00 6.77 ? 188 LEU C CB 1 ATOM 4892 C CG . LEU C 1 188 ? 11.836 -6.282 -11.784 1.00 8.16 ? 188 LEU C CG 1 ATOM 4893 C CD1 . LEU C 1 188 ? 10.506 -6.071 -11.065 1.00 9.57 ? 188 LEU C CD1 1 ATOM 4894 C CD2 . LEU C 1 188 ? 12.971 -5.822 -10.894 1.00 8.15 ? 188 LEU C CD2 1 ATOM 4895 N N . ASN C 1 189 ? 10.781 -6.532 -15.119 1.00 7.75 ? 189 ASN C N 1 ATOM 4896 C CA . ASN C 1 189 ? 11.097 -5.767 -16.299 1.00 8.90 ? 189 ASN C CA 1 ATOM 4897 C C . ASN C 1 189 ? 11.643 -4.422 -15.821 1.00 8.02 ? 189 ASN C C 1 ATOM 4898 O O . ASN C 1 189 ? 10.912 -3.636 -15.219 1.00 9.67 ? 189 ASN C O 1 ATOM 4899 C CB . ASN C 1 189 ? 9.839 -5.597 -17.152 1.00 11.48 ? 189 ASN C CB 1 ATOM 4900 C CG . ASN C 1 189 ? 10.145 -5.096 -18.525 1.00 15.83 ? 189 ASN C CG 1 ATOM 4901 O OD1 . ASN C 1 189 ? 11.300 -5.081 -18.932 1.00 18.70 ? 189 ASN C OD1 1 ATOM 4902 N ND2 . ASN C 1 189 ? 9.114 -4.700 -19.262 1.00 16.95 ? 189 ASN C ND2 1 ATOM 4903 N N . TYR C 1 190 ? 12.927 -4.182 -16.037 1.00 9.42 ? 190 TYR C N 1 ATOM 4904 C CA . TYR C 1 190 ? 13.587 -3.022 -15.466 1.00 9.36 ? 190 TYR C CA 1 ATOM 4905 C C . TYR C 1 190 ? 14.595 -2.455 -16.457 1.00 9.57 ? 190 TYR C C 1 ATOM 4906 O O . TYR C 1 190 ? 15.000 -3.129 -17.414 1.00 10.51 ? 190 TYR C O 1 ATOM 4907 C CB . TYR C 1 190 ? 14.280 -3.375 -14.130 1.00 9.85 ? 190 TYR C CB 1 ATOM 4908 C CG . TYR C 1 190 ? 15.421 -4.338 -14.296 1.00 10.68 ? 190 TYR C CG 1 ATOM 4909 C CD1 . TYR C 1 190 ? 16.708 -3.888 -14.564 1.00 11.10 ? 190 TYR C CD1 1 ATOM 4910 C CD2 . TYR C 1 190 ? 15.206 -5.698 -14.223 1.00 12.44 ? 190 TYR C CD2 1 ATOM 4911 C CE1 . TYR C 1 190 ? 17.752 -4.782 -14.757 1.00 12.83 ? 190 TYR C CE1 1 ATOM 4912 C CE2 . TYR C 1 190 ? 16.232 -6.592 -14.403 1.00 13.99 ? 190 TYR C CE2 1 ATOM 4913 C CZ . TYR C 1 190 ? 17.502 -6.143 -14.693 1.00 15.21 ? 190 TYR C CZ 1 ATOM 4914 O OH . TYR C 1 190 ? 18.534 -7.058 -14.881 1.00 18.24 ? 190 TYR C OH 1 ATOM 4915 N N . GLU C 1 191 ? 14.991 -1.210 -16.218 1.00 9.34 ? 191 GLU C N 1 ATOM 4916 C CA . GLU C 1 191 ? 16.066 -0.553 -16.944 1.00 9.79 ? 191 GLU C CA 1 ATOM 4917 C C . GLU C 1 191 ? 17.023 0.076 -15.944 1.00 8.44 ? 191 GLU C C 1 ATOM 4918 O O . GLU C 1 191 ? 16.611 0.895 -15.145 1.00 10.02 ? 191 GLU C O 1 ATOM 4919 C CB . GLU C 1 191 ? 15.498 0.577 -17.806 1.00 13.77 ? 191 GLU C CB 1 ATOM 4920 C CG . GLU C 1 191 ? 14.499 0.143 -18.841 1.00 18.58 ? 191 GLU C CG 1 ATOM 4921 C CD . GLU C 1 191 ? 13.839 1.326 -19.539 1.00 22.49 ? 191 GLU C CD 1 ATOM 4922 O OE1 . GLU C 1 191 ? 13.777 2.432 -18.946 1.00 22.80 ? 191 GLU C OE1 1 ATOM 4923 O OE2 . GLU C 1 191 ? 13.380 1.148 -20.689 1.00 24.79 ? 191 GLU C OE2 1 ATOM 4924 N N . ILE C 1 192 ? 18.295 -0.296 -15.993 1.00 9.36 ? 192 ILE C N 1 ATOM 4925 C CA . ILE C 1 192 ? 19.333 0.386 -15.223 1.00 9.27 ? 192 ILE C CA 1 ATOM 4926 C C . ILE C 1 192 ? 19.835 1.617 -15.947 1.00 9.27 ? 192 ILE C C 1 ATOM 4927 O O . ILE C 1 192 ? 20.112 1.571 -17.143 1.00 9.54 ? 192 ILE C O 1 ATOM 4928 C CB . ILE C 1 192 ? 20.504 -0.547 -14.940 1.00 10.36 ? 192 ILE C CB 1 ATOM 4929 C CG1 . ILE C 1 192 ? 20.100 -1.550 -13.845 1.00 11.76 ? 192 ILE C CG1 1 ATOM 4930 C CG2 . ILE C 1 192 ? 21.741 0.237 -14.517 1.00 10.87 ? 192 ILE C CG2 1 ATOM 4931 C CD1 . ILE C 1 192 ? 21.075 -2.676 -13.651 1.00 12.91 ? 192 ILE C CD1 1 ATOM 4932 N N . ARG C 1 193 ? 19.934 2.724 -15.221 1.00 9.47 ? 193 ARG C N 1 ATOM 4933 C CA . ARG C 1 193 ? 20.500 3.962 -15.727 1.00 9.91 ? 193 ARG C CA 1 ATOM 4934 C C . ARG C 1 193 ? 21.593 4.421 -14.775 1.00 8.94 ? 193 ARG C C 1 ATOM 4935 O O . ARG C 1 193 ? 21.431 4.431 -13.549 1.00 9.65 ? 193 ARG C O 1 ATOM 4936 C CB . ARG C 1 193 ? 19.389 5.016 -15.864 1.00 11.46 ? 193 ARG C CB 1 ATOM 4937 C CG . ARG C 1 193 ? 18.324 4.636 -16.888 1.00 13.70 ? 193 ARG C CG 1 ATOM 4938 C CD . ARG C 1 193 ? 18.878 4.690 -18.297 1.00 16.23 ? 193 ARG C CD 1 ATOM 4939 N NE . ARG C 1 193 ? 17.882 4.307 -19.295 1.00 19.33 ? 193 ARG C NE 1 ATOM 4940 C CZ . ARG C 1 193 ? 17.732 3.080 -19.800 1.00 20.72 ? 193 ARG C CZ 1 ATOM 4941 N NH1 . ARG C 1 193 ? 18.513 2.070 -19.423 1.00 20.91 ? 193 ARG C NH1 1 ATOM 4942 N NH2 . ARG C 1 193 ? 16.790 2.857 -20.706 1.00 21.51 ? 193 ARG C NH2 1 ATOM 4943 N N . GLY C 1 194 ? 22.737 4.783 -15.324 1.00 10.36 ? 194 GLY C N 1 ATOM 4944 C CA . GLY C 1 194 ? 23.840 5.202 -14.490 1.00 9.81 ? 194 GLY C CA 1 ATOM 4945 C C . GLY C 1 194 ? 24.483 4.037 -13.764 1.00 9.63 ? 194 GLY C C 1 ATOM 4946 O O . GLY C 1 194 ? 24.490 2.903 -14.238 1.00 11.72 ? 194 GLY C O 1 ATOM 4947 N N . TYR C 1 195 ? 25.008 4.323 -12.585 1.00 8.65 ? 195 TYR C N 1 ATOM 4948 C CA . TYR C 1 195 ? 25.809 3.358 -11.828 1.00 7.69 ? 195 TYR C CA 1 ATOM 4949 C C . TYR C 1 195 ? 24.929 2.591 -10.859 1.00 6.91 ? 195 TYR C C 1 ATOM 4950 O O . TYR C 1 195 ? 24.709 3.009 -9.713 1.00 7.40 ? 195 TYR C O 1 ATOM 4951 C CB . TYR C 1 195 ? 26.911 4.114 -11.091 1.00 7.40 ? 195 TYR C CB 1 ATOM 4952 C CG . TYR C 1 195 ? 27.978 3.277 -10.413 1.00 7.12 ? 195 TYR C CG 1 ATOM 4953 C CD1 . TYR C 1 195 ? 28.367 2.040 -10.906 1.00 7.95 ? 195 TYR C CD1 1 ATOM 4954 C CD2 . TYR C 1 195 ? 28.645 3.770 -9.306 1.00 8.44 ? 195 TYR C CD2 1 ATOM 4955 C CE1 . TYR C 1 195 ? 29.354 1.305 -10.275 1.00 7.66 ? 195 TYR C CE1 1 ATOM 4956 C CE2 . TYR C 1 195 ? 29.637 3.050 -8.688 1.00 8.51 ? 195 TYR C CE2 1 ATOM 4957 C CZ . TYR C 1 195 ? 30.003 1.832 -9.177 1.00 7.72 ? 195 TYR C CZ 1 ATOM 4958 O OH . TYR C 1 195 ? 30.994 1.109 -8.544 1.00 8.17 ? 195 TYR C OH 1 ATOM 4959 N N . VAL C 1 196 ? 24.447 1.451 -11.327 1.00 6.65 ? 196 VAL C N 1 ATOM 4960 C CA . VAL C 1 196 ? 23.695 0.500 -10.526 1.00 7.30 ? 196 VAL C CA 1 ATOM 4961 C C . VAL C 1 196 ? 24.218 -0.879 -10.913 1.00 7.46 ? 196 VAL C C 1 ATOM 4962 O O . VAL C 1 196 ? 24.301 -1.220 -12.100 1.00 9.00 ? 196 VAL C O 1 ATOM 4963 C CB . VAL C 1 196 ? 22.168 0.570 -10.778 1.00 7.52 ? 196 VAL C CB 1 ATOM 4964 C CG1 . VAL C 1 196 ? 21.420 -0.354 -9.812 1.00 8.45 ? 196 VAL C CG1 1 ATOM 4965 C CG2 . VAL C 1 196 ? 21.655 2.021 -10.686 1.00 8.22 ? 196 VAL C CG2 1 ATOM 4966 N N . ILE C 1 197 ? 24.546 -1.676 -9.910 1.00 6.76 ? 197 ILE C N 1 ATOM 4967 C CA . ILE C 1 197 ? 25.172 -2.974 -10.121 1.00 6.88 ? 197 ILE C CA 1 ATOM 4968 C C . ILE C 1 197 ? 24.310 -4.055 -9.494 1.00 6.76 ? 197 ILE C C 1 ATOM 4969 O O . ILE C 1 197 ? 23.824 -3.890 -8.373 1.00 8.27 ? 197 ILE C O 1 ATOM 4970 C CB . ILE C 1 197 ? 26.574 -3.028 -9.459 1.00 7.45 ? 197 ILE C CB 1 ATOM 4971 C CG1 . ILE C 1 197 ? 27.483 -1.899 -9.977 1.00 7.64 ? 197 ILE C CG1 1 ATOM 4972 C CG2 . ILE C 1 197 ? 27.202 -4.392 -9.648 1.00 7.72 ? 197 ILE C CG2 1 ATOM 4973 C CD1 . ILE C 1 197 ? 27.840 -2.011 -11.456 1.00 8.21 ? 197 ILE C CD1 1 ATOM 4974 N N . ILE C 1 198 ? 24.093 -5.152 -10.212 1.00 6.62 ? 198 ILE C N 1 ATOM 4975 C CA . ILE C 1 198 ? 23.394 -6.307 -9.669 1.00 5.96 ? 198 ILE C CA 1 ATOM 4976 C C . ILE C 1 198 ? 24.393 -7.259 -9.020 1.00 6.46 ? 198 ILE C C 1 ATOM 4977 O O . ILE C 1 198 ? 25.398 -7.624 -9.611 1.00 8.57 ? 198 ILE C O 1 ATOM 4978 C CB . ILE C 1 198 ? 22.595 -7.052 -10.746 1.00 7.06 ? 198 ILE C CB 1 ATOM 4979 C CG1 . ILE C 1 198 ? 21.535 -6.130 -11.352 1.00 8.02 ? 198 ILE C CG1 1 ATOM 4980 C CG2 . ILE C 1 198 ? 21.947 -8.334 -10.177 1.00 7.80 ? 198 ILE C CG2 1 ATOM 4981 C CD1 . ILE C 1 198 ? 20.897 -6.666 -12.592 1.00 9.07 ? 198 ILE C CD1 1 ATOM 4982 N N . LYS C 1 199 ? 24.151 -7.583 -7.755 1.00 6.85 ? 199 LYS C N 1 ATOM 4983 C CA . LYS C 1 199 ? 25.010 -8.486 -6.992 1.00 6.55 ? 199 LYS C CA 1 ATOM 4984 C C . LYS C 1 199 ? 24.179 -9.509 -6.234 1.00 6.93 ? 199 LYS C C 1 ATOM 4985 O O . LYS C 1 199 ? 23.005 -9.301 -5.991 1.00 7.07 ? 199 LYS C O 1 ATOM 4986 C CB . LYS C 1 199 ? 25.814 -7.678 -5.962 1.00 8.73 ? 199 LYS C CB 1 ATOM 4987 C CG . LYS C 1 199 ? 26.996 -6.873 -6.533 1.00 11.11 ? 199 LYS C CG 1 ATOM 4988 C CD . LYS C 1 199 ? 28.160 -7.804 -6.868 1.00 13.14 ? 199 LYS C CD 1 ATOM 4989 C CE . LYS C 1 199 ? 29.343 -7.126 -7.513 1.00 15.63 ? 199 LYS C CE 1 ATOM 4990 N NZ . LYS C 1 199 ? 30.353 -8.166 -7.849 1.00 19.13 ? 199 LYS C NZ 1 ATOM 4991 N N . PRO C 1 200 ? 24.808 -10.604 -5.800 1.00 8.14 ? 200 PRO C N 1 ATOM 4992 C CA . PRO C 1 200 ? 24.102 -11.503 -4.889 1.00 7.95 ? 200 PRO C CA 1 ATOM 4993 C C . PRO C 1 200 ? 23.672 -10.813 -3.608 1.00 8.11 ? 200 PRO C C 1 ATOM 4994 O O . PRO C 1 200 ? 24.339 -9.920 -3.100 1.00 8.64 ? 200 PRO C O 1 ATOM 4995 C CB . PRO C 1 200 ? 25.156 -12.574 -4.567 1.00 9.46 ? 200 PRO C CB 1 ATOM 4996 C CG . PRO C 1 200 ? 26.111 -12.526 -5.720 1.00 10.95 ? 200 PRO C CG 1 ATOM 4997 C CD . PRO C 1 200 ? 26.157 -11.094 -6.135 1.00 9.87 ? 200 PRO C CD 1 ATOM 4998 N N . LEU C 1 201 ? 22.540 -11.248 -3.088 1.00 8.04 ? 201 LEU C N 1 ATOM 4999 C CA . LEU C 1 201 ? 22.048 -10.841 -1.782 1.00 9.48 ? 201 LEU C CA 1 ATOM 5000 C C . LEU C 1 201 ? 22.793 -11.634 -0.724 1.00 10.49 ? 201 LEU C C 1 ATOM 5001 O O . LEU C 1 201 ? 22.720 -12.859 -0.706 1.00 13.68 ? 201 LEU C O 1 ATOM 5002 C CB . LEU C 1 201 ? 20.557 -11.131 -1.719 1.00 10.58 ? 201 LEU C CB 1 ATOM 5003 C CG . LEU C 1 201 ? 19.933 -11.025 -0.330 1.00 12.43 ? 201 LEU C CG 1 ATOM 5004 C CD1 . LEU C 1 201 ? 19.955 -9.607 0.175 1.00 11.80 ? 201 LEU C CD1 1 ATOM 5005 C CD2 . LEU C 1 201 ? 18.519 -11.585 -0.363 1.00 14.73 ? 201 LEU C CD2 1 ATOM 5006 N N . VAL C 1 202 ? 23.566 -10.957 0.115 1.00 8.35 ? 202 VAL C N 1 ATOM 5007 C CA . VAL C 1 202 ? 24.421 -11.669 1.068 1.00 8.62 ? 202 VAL C CA 1 ATOM 5008 C C . VAL C 1 202 ? 24.025 -11.386 2.506 1.00 8.39 ? 202 VAL C C 1 ATOM 5009 O O . VAL C 1 202 ? 24.600 -11.966 3.424 1.00 8.61 ? 202 VAL C O 1 ATOM 5010 C CB . VAL C 1 202 ? 25.930 -11.326 0.889 1.00 9.07 ? 202 VAL C CB 1 ATOM 5011 C CG1 . VAL C 1 202 ? 26.398 -11.644 -0.525 1.00 11.00 ? 202 VAL C CG1 1 ATOM 5012 C CG2 . VAL C 1 202 ? 26.223 -9.853 1.257 1.00 9.29 ? 202 VAL C CG2 1 ATOM 5013 N N . TRP C 1 203 ? 23.033 -10.513 2.691 1.00 9.32 ? 203 TRP C N 1 ATOM 5014 C CA . TRP C 1 203 ? 22.656 -10.028 4.020 1.00 11.27 ? 203 TRP C CA 1 ATOM 5015 C C . TRP C 1 203 ? 21.313 -10.539 4.511 1.00 16.91 ? 203 TRP C C 1 ATOM 5016 O O . TRP C 1 203 ? 20.874 -10.148 5.587 1.00 19.16 ? 203 TRP C O 1 ATOM 5017 C CB . TRP C 1 203 ? 22.697 -8.494 4.092 1.00 9.63 ? 203 TRP C CB 1 ATOM 5018 C CG . TRP C 1 203 ? 22.170 -7.765 2.891 1.00 8.34 ? 203 TRP C CG 1 ATOM 5019 C CD1 . TRP C 1 203 ? 22.895 -7.347 1.806 1.00 8.14 ? 203 TRP C CD1 1 ATOM 5020 C CD2 . TRP C 1 203 ? 20.841 -7.294 2.675 1.00 8.24 ? 203 TRP C CD2 1 ATOM 5021 N NE1 . TRP C 1 203 ? 22.096 -6.671 0.933 1.00 8.47 ? 203 TRP C NE1 1 ATOM 5022 C CE2 . TRP C 1 203 ? 20.826 -6.627 1.439 1.00 7.27 ? 203 TRP C CE2 1 ATOM 5023 C CE3 . TRP C 1 203 ? 19.658 -7.374 3.405 1.00 9.32 ? 203 TRP C CE3 1 ATOM 5024 C CZ2 . TRP C 1 203 ? 19.677 -6.027 0.922 1.00 7.12 ? 203 TRP C CZ2 1 ATOM 5025 C CZ3 . TRP C 1 203 ? 18.526 -6.792 2.893 1.00 9.49 ? 203 TRP C CZ3 1 ATOM 5026 C CH2 . TRP C 1 203 ? 18.544 -6.110 1.661 1.00 7.68 ? 203 TRP C CH2 1 ATOM 5027 N N . VAL C 1 204 ? 20.663 -11.397 3.741 1.00 22.24 ? 204 VAL C N 1 ATOM 5028 C CA . VAL C 1 204 ? 19.497 -12.119 4.250 1.00 29.04 ? 204 VAL C CA 1 ATOM 5029 C C . VAL C 1 204 ? 19.729 -13.613 4.091 1.00 33.40 ? 204 VAL C C 1 ATOM 5030 O O . VAL C 1 204 ? 19.969 -14.322 5.078 1.00 35.10 ? 204 VAL C O 1 ATOM 5031 C CB . VAL C 1 204 ? 18.214 -11.746 3.487 1.00 31.08 ? 204 VAL C CB 1 ATOM 5032 C CG1 . VAL C 1 204 ? 17.030 -12.578 3.973 1.00 31.59 ? 204 VAL C CG1 1 ATOM 5033 C CG2 . VAL C 1 204 ? 17.932 -10.274 3.647 1.00 32.15 ? 204 VAL C CG2 1 ATOM 5034 O OXT . VAL C 1 204 ? 19.698 -14.129 2.964 1.00 34.76 ? 204 VAL C OXT 1 ATOM 5035 N N . HIS D 1 1 ? 60.474 -16.723 5.098 1.00 28.33 ? 1 HIS D N 1 ATOM 5036 C CA . HIS D 1 1 ? 59.088 -16.386 5.537 1.00 26.81 ? 1 HIS D CA 1 ATOM 5037 C C . HIS D 1 1 ? 58.799 -17.103 6.843 1.00 23.49 ? 1 HIS D C 1 ATOM 5038 O O . HIS D 1 1 ? 59.443 -18.090 7.190 1.00 24.85 ? 1 HIS D O 1 ATOM 5039 C CB . HIS D 1 1 ? 58.076 -16.775 4.463 1.00 29.25 ? 1 HIS D CB 1 ATOM 5040 C CG . HIS D 1 1 ? 58.425 -16.250 3.104 1.00 32.65 ? 1 HIS D CG 1 ATOM 5041 N ND1 . HIS D 1 1 ? 59.510 -15.430 2.881 1.00 34.25 ? 1 HIS D ND1 1 ATOM 5042 C CD2 . HIS D 1 1 ? 57.837 -16.429 1.898 1.00 33.99 ? 1 HIS D CD2 1 ATOM 5043 C CE1 . HIS D 1 1 ? 59.575 -15.125 1.598 1.00 34.77 ? 1 HIS D CE1 1 ATOM 5044 N NE2 . HIS D 1 1 ? 58.568 -15.716 0.981 1.00 34.96 ? 1 HIS D NE2 1 ATOM 5045 N N . THR D 1 2 ? 57.816 -16.595 7.570 1.00 18.94 ? 2 THR D N 1 ATOM 5046 C CA . THR D 1 2 ? 57.561 -17.061 8.925 1.00 16.83 ? 2 THR D CA 1 ATOM 5047 C C . THR D 1 2 ? 56.095 -17.399 9.094 1.00 13.26 ? 2 THR D C 1 ATOM 5048 O O . THR D 1 2 ? 55.240 -16.704 8.593 1.00 12.27 ? 2 THR D O 1 ATOM 5049 C CB . THR D 1 2 ? 57.927 -15.971 9.929 1.00 19.11 ? 2 THR D CB 1 ATOM 5050 O OG1 . THR D 1 2 ? 59.313 -15.648 9.782 1.00 20.74 ? 2 THR D OG1 1 ATOM 5051 C CG2 . THR D 1 2 ? 57.634 -16.411 11.353 1.00 19.67 ? 2 THR D CG2 1 ATOM 5052 N N . ASP D 1 3 ? 55.829 -18.490 9.782 1.00 11.71 ? 3 ASP D N 1 ATOM 5053 C CA . ASP D 1 3 ? 54.464 -18.901 10.114 1.00 10.30 ? 3 ASP D CA 1 ATOM 5054 C C . ASP D 1 3 ? 54.049 -18.248 11.423 1.00 9.44 ? 3 ASP D C 1 ATOM 5055 O O . ASP D 1 3 ? 54.541 -18.614 12.470 1.00 10.85 ? 3 ASP D O 1 ATOM 5056 C CB . ASP D 1 3 ? 54.412 -20.423 10.233 1.00 10.84 ? 3 ASP D CB 1 ATOM 5057 C CG . ASP D 1 3 ? 53.012 -20.964 10.473 1.00 12.24 ? 3 ASP D CG 1 ATOM 5058 O OD1 . ASP D 1 3 ? 52.085 -20.180 10.766 1.00 10.93 ? 3 ASP D OD1 1 ATOM 5059 O OD2 . ASP D 1 3 ? 52.834 -22.211 10.386 1.00 14.85 ? 3 ASP D OD2 1 ATOM 5060 N N . LEU D 1 4 ? 53.156 -17.267 11.344 1.00 7.70 ? 4 LEU D N 1 ATOM 5061 C CA . LEU D 1 4 ? 52.709 -16.522 12.518 1.00 7.27 ? 4 LEU D CA 1 ATOM 5062 C C . LEU D 1 4 ? 51.398 -17.049 13.080 1.00 7.72 ? 4 LEU D C 1 ATOM 5063 O O . LEU D 1 4 ? 50.742 -16.376 13.878 1.00 7.38 ? 4 LEU D O 1 ATOM 5064 C CB . LEU D 1 4 ? 52.610 -15.024 12.208 1.00 8.37 ? 4 LEU D CB 1 ATOM 5065 C CG . LEU D 1 4 ? 53.941 -14.341 11.906 1.00 9.18 ? 4 LEU D CG 1 ATOM 5066 C CD1 . LEU D 1 4 ? 53.700 -12.894 11.508 1.00 10.53 ? 4 LEU D CD1 1 ATOM 5067 C CD2 . LEU D 1 4 ? 54.915 -14.390 13.093 1.00 10.71 ? 4 LEU D CD2 1 ATOM 5068 N N . SER D 1 5 ? 51.041 -18.283 12.726 1.00 8.02 ? 5 SER D N 1 ATOM 5069 C CA . SER D 1 5 ? 49.839 -18.892 13.285 1.00 8.92 ? 5 SER D CA 1 ATOM 5070 C C . SER D 1 5 ? 49.842 -18.790 14.793 1.00 8.66 ? 5 SER D C 1 ATOM 5071 O O . SER D 1 5 ? 50.822 -19.126 15.450 1.00 9.64 ? 5 SER D O 1 ATOM 5072 C CB . SER D 1 5 ? 49.724 -20.370 12.926 1.00 10.70 ? 5 SER D CB 1 ATOM 5073 O OG . SER D 1 5 ? 49.610 -20.546 11.547 1.00 12.60 ? 5 SER D OG 1 ATOM 5074 N N . GLY D 1 6 ? 48.732 -18.301 15.331 1.00 8.25 ? 6 GLY D N 1 ATOM 5075 C CA . GLY D 1 6 ? 48.549 -18.187 16.761 1.00 8.34 ? 6 GLY D CA 1 ATOM 5076 C C . GLY D 1 6 ? 49.206 -16.982 17.397 1.00 8.53 ? 6 GLY D C 1 ATOM 5077 O O . GLY D 1 6 ? 49.197 -16.882 18.613 1.00 8.69 ? 6 GLY D O 1 ATOM 5078 N N . LYS D 1 7 ? 49.745 -16.083 16.580 1.00 7.55 ? 7 LYS D N 1 ATOM 5079 C CA . LYS D 1 7 ? 50.492 -14.922 17.036 1.00 7.10 ? 7 LYS D CA 1 ATOM 5080 C C . LYS D 1 7 ? 49.942 -13.644 16.443 1.00 6.61 ? 7 LYS D C 1 ATOM 5081 O O . LYS D 1 7 ? 49.238 -13.661 15.422 1.00 7.71 ? 7 LYS D O 1 ATOM 5082 C CB . LYS D 1 7 ? 51.977 -15.059 16.677 1.00 8.63 ? 7 LYS D CB 1 ATOM 5083 C CG . LYS D 1 7 ? 52.606 -16.326 17.270 1.00 12.77 ? 7 LYS D CG 1 ATOM 5084 C CD . LYS D 1 7 ? 54.075 -16.495 16.912 1.00 17.43 ? 7 LYS D CD 1 ATOM 5085 C CE . LYS D 1 7 ? 54.666 -17.682 17.652 1.00 20.87 ? 7 LYS D CE 1 ATOM 5086 N NZ . LYS D 1 7 ? 55.840 -18.254 16.929 1.00 23.47 ? 7 LYS D NZ 1 ATOM 5087 N N . VAL D 1 8 ? 50.279 -12.532 17.093 1.00 5.22 ? 8 VAL D N 1 ATOM 5088 C CA . VAL D 1 8 ? 49.898 -11.190 16.664 1.00 5.02 ? 8 VAL D CA 1 ATOM 5089 C C . VAL D 1 8 ? 51.130 -10.296 16.657 1.00 5.05 ? 8 VAL D C 1 ATOM 5090 O O . VAL D 1 8 ? 52.096 -10.553 17.375 1.00 5.46 ? 8 VAL D O 1 ATOM 5091 C CB . VAL D 1 8 ? 48.821 -10.541 17.596 1.00 6.97 ? 8 VAL D CB 1 ATOM 5092 C CG1 . VAL D 1 8 ? 47.528 -11.304 17.497 1.00 9.25 ? 8 VAL D CG1 1 ATOM 5093 C CG2 . VAL D 1 8 ? 49.318 -10.492 19.043 1.00 8.07 ? 8 VAL D CG2 1 ATOM 5094 N N . PHE D 1 9 ? 51.076 -9.238 15.852 1.00 5.41 ? 9 PHE D N 1 ATOM 5095 C CA . PHE D 1 9 ? 51.954 -8.085 16.042 1.00 4.53 ? 9 PHE D CA 1 ATOM 5096 C C . PHE D 1 9 ? 51.336 -7.159 17.081 1.00 4.77 ? 9 PHE D C 1 ATOM 5097 O O . PHE D 1 9 ? 50.157 -6.803 16.961 1.00 5.30 ? 9 PHE D O 1 ATOM 5098 C CB . PHE D 1 9 ? 52.143 -7.277 14.754 1.00 5.39 ? 9 PHE D CB 1 ATOM 5099 C CG . PHE D 1 9 ? 52.935 -7.973 13.675 1.00 6.72 ? 9 PHE D CG 1 ATOM 5100 C CD1 . PHE D 1 9 ? 54.224 -8.418 13.903 1.00 8.35 ? 9 PHE D CD1 1 ATOM 5101 C CD2 . PHE D 1 9 ? 52.409 -8.112 12.401 1.00 7.62 ? 9 PHE D CD2 1 ATOM 5102 C CE1 . PHE D 1 9 ? 54.959 -9.024 12.881 1.00 8.98 ? 9 PHE D CE1 1 ATOM 5103 C CE2 . PHE D 1 9 ? 53.159 -8.723 11.388 1.00 8.70 ? 9 PHE D CE2 1 ATOM 5104 C CZ . PHE D 1 9 ? 54.397 -9.177 11.639 1.00 9.10 ? 9 PHE D CZ 1 ATOM 5105 N N . VAL D 1 10 ? 52.123 -6.768 18.085 1.00 4.80 ? 10 VAL D N 1 ATOM 5106 C CA . VAL D 1 10 ? 51.699 -5.791 19.078 1.00 4.55 ? 10 VAL D CA 1 ATOM 5107 C C . VAL D 1 10 ? 52.443 -4.495 18.800 1.00 4.33 ? 10 VAL D C 1 ATOM 5108 O O . VAL D 1 10 ? 53.670 -4.462 18.803 1.00 5.70 ? 10 VAL D O 1 ATOM 5109 C CB . VAL D 1 10 ? 51.995 -6.246 20.514 1.00 6.23 ? 10 VAL D CB 1 ATOM 5110 C CG1 . VAL D 1 10 ? 51.369 -5.289 21.492 1.00 7.17 ? 10 VAL D CG1 1 ATOM 5111 C CG2 . VAL D 1 10 ? 51.489 -7.654 20.764 1.00 7.63 ? 10 VAL D CG2 1 ATOM 5112 N N . PHE D 1 11 ? 51.670 -3.448 18.529 1.00 4.37 ? 11 PHE D N 1 ATOM 5113 C CA . PHE D 1 11 ? 52.161 -2.082 18.402 1.00 4.23 ? 11 PHE D CA 1 ATOM 5114 C C . PHE D 1 11 ? 51.860 -1.413 19.737 1.00 4.53 ? 11 PHE D C 1 ATOM 5115 O O . PHE D 1 11 ? 50.740 -0.969 19.957 1.00 5.73 ? 11 PHE D O 1 ATOM 5116 C CB . PHE D 1 11 ? 51.450 -1.371 17.235 1.00 5.93 ? 11 PHE D CB 1 ATOM 5117 C CG . PHE D 1 11 ? 51.660 -2.049 15.912 1.00 7.35 ? 11 PHE D CG 1 ATOM 5118 C CD1 . PHE D 1 11 ? 50.854 -3.122 15.532 1.00 8.08 ? 11 PHE D CD1 1 ATOM 5119 C CD2 . PHE D 1 11 ? 52.694 -1.671 15.067 1.00 8.92 ? 11 PHE D CD2 1 ATOM 5120 C CE1 . PHE D 1 11 ? 51.063 -3.766 14.334 1.00 9.18 ? 11 PHE D CE1 1 ATOM 5121 C CE2 . PHE D 1 11 ? 52.896 -2.340 13.861 1.00 9.10 ? 11 PHE D CE2 1 ATOM 5122 C CZ . PHE D 1 11 ? 52.078 -3.368 13.505 1.00 8.37 ? 11 PHE D CZ 1 ATOM 5123 N N . PRO D 1 12 ? 52.848 -1.410 20.675 1.00 5.02 ? 12 PRO D N 1 ATOM 5124 C CA . PRO D 1 12 ? 52.448 -1.198 22.068 1.00 5.74 ? 12 PRO D CA 1 ATOM 5125 C C . PRO D 1 12 ? 52.327 0.251 22.489 1.00 5.50 ? 12 PRO D C 1 ATOM 5126 O O . PRO D 1 12 ? 51.977 0.499 23.639 1.00 6.08 ? 12 PRO D O 1 ATOM 5127 C CB . PRO D 1 12 ? 53.581 -1.881 22.864 1.00 5.78 ? 12 PRO D CB 1 ATOM 5128 C CG . PRO D 1 12 ? 54.383 -2.686 21.836 1.00 6.50 ? 12 PRO D CG 1 ATOM 5129 C CD . PRO D 1 12 ? 54.232 -1.909 20.580 1.00 6.23 ? 12 PRO D CD 1 ATOM 5130 N N . ARG D 1 13 ? 52.622 1.195 21.608 1.00 6.52 ? 13 ARG D N 1 ATOM 5131 C CA . ARG D 1 13 ? 52.586 2.613 21.958 1.00 7.16 ? 13 ARG D CA 1 ATOM 5132 C C . ARG D 1 13 ? 52.345 3.453 20.718 1.00 6.95 ? 13 ARG D C 1 ATOM 5133 O O . ARG D 1 13 ? 52.592 3.019 19.588 1.00 8.48 ? 13 ARG D O 1 ATOM 5134 C CB . ARG D 1 13 ? 53.922 3.056 22.574 1.00 8.42 ? 13 ARG D CB 1 ATOM 5135 C CG . ARG D 1 13 ? 55.021 3.002 21.507 1.00 9.87 ? 13 ARG D CG 1 ATOM 5136 C CD . ARG D 1 13 ? 56.371 3.511 21.945 1.00 11.94 ? 13 ARG D CD 1 ATOM 5137 N NE . ARG D 1 13 ? 57.333 3.357 20.856 1.00 13.51 ? 13 ARG D NE 1 ATOM 5138 C CZ . ARG D 1 13 ? 58.633 3.569 20.974 1.00 15.74 ? 13 ARG D CZ 1 ATOM 5139 N NH1 . ARG D 1 13 ? 59.153 3.944 22.140 1.00 18.30 ? 13 ARG D NH1 1 ATOM 5140 N NH2 . ARG D 1 13 ? 59.417 3.399 19.927 1.00 15.08 ? 13 ARG D NH2 1 ATOM 5141 N N . GLU D 1 14 ? 51.915 4.683 20.948 1.00 7.46 ? 14 GLU D N 1 ATOM 5142 C CA . GLU D 1 14 ? 51.796 5.653 19.892 1.00 8.47 ? 14 GLU D CA 1 ATOM 5143 C C . GLU D 1 14 ? 53.191 6.150 19.508 1.00 8.96 ? 14 GLU D C 1 ATOM 5144 O O . GLU D 1 14 ? 54.026 6.431 20.364 1.00 9.59 ? 14 GLU D O 1 ATOM 5145 C CB . GLU D 1 14 ? 50.933 6.814 20.372 1.00 10.93 ? 14 GLU D CB 1 ATOM 5146 C CG . GLU D 1 14 ? 50.696 7.857 19.339 1.00 12.62 ? 14 GLU D CG 1 ATOM 5147 C CD . GLU D 1 14 ? 49.655 8.844 19.781 1.00 16.48 ? 14 GLU D CD 1 ATOM 5148 O OE1 . GLU D 1 14 ? 48.453 8.500 19.757 1.00 16.12 ? 14 GLU D OE1 1 ATOM 5149 O OE2 . GLU D 1 14 ? 50.044 9.949 20.199 1.00 20.61 ? 14 GLU D OE2 1 ATOM 5150 N N . SER D 1 15 ? 53.421 6.280 18.214 1.00 8.47 ? 15 SER D N 1 ATOM 5151 C CA . SER D 1 15 ? 54.713 6.726 17.712 1.00 9.12 ? 15 SER D CA 1 ATOM 5152 C C . SER D 1 15 ? 54.573 7.125 16.271 1.00 9.03 ? 15 SER D C 1 ATOM 5153 O O . SER D 1 15 ? 53.557 6.873 15.649 1.00 8.85 ? 15 SER D O 1 ATOM 5154 C CB . SER D 1 15 ? 55.740 5.590 17.786 1.00 10.37 ? 15 SER D CB 1 ATOM 5155 O OG . SER D 1 15 ? 55.546 4.667 16.722 1.00 10.22 ? 15 SER D OG 1 ATOM 5156 N N . VAL D 1 16 ? 55.632 7.714 15.729 1.00 10.20 ? 16 VAL D N 1 ATOM 5157 C CA . VAL D 1 16 ? 55.741 7.904 14.294 1.00 11.84 ? 16 VAL D CA 1 ATOM 5158 C C . VAL D 1 16 ? 56.796 6.943 13.701 1.00 12.52 ? 16 VAL D C 1 ATOM 5159 O O . VAL D 1 16 ? 57.069 6.981 12.500 1.00 15.25 ? 16 VAL D O 1 ATOM 5160 C CB . VAL D 1 16 ? 56.045 9.417 13.977 1.00 14.49 ? 16 VAL D CB 1 ATOM 5161 C CG1 . VAL D 1 16 ? 57.483 9.788 14.346 1.00 14.10 ? 16 VAL D CG1 1 ATOM 5162 C CG2 . VAL D 1 16 ? 55.738 9.757 12.534 1.00 16.81 ? 16 VAL D CG2 1 ATOM 5163 N N . THR D 1 17 ? 57.354 6.066 14.540 1.00 12.47 ? 17 THR D N 1 ATOM 5164 C CA . THR D 1 17 ? 58.469 5.179 14.190 1.00 13.24 ? 17 THR D CA 1 ATOM 5165 C C . THR D 1 17 ? 58.112 3.697 14.032 1.00 12.32 ? 17 THR D C 1 ATOM 5166 O O . THR D 1 17 ? 58.730 2.972 13.253 1.00 14.29 ? 17 THR D O 1 ATOM 5167 C CB . THR D 1 17 ? 59.576 5.223 15.292 1.00 15.86 ? 17 THR D CB 1 ATOM 5168 O OG1 . THR D 1 17 ? 59.008 4.960 16.583 1.00 16.07 ? 17 THR D OG1 1 ATOM 5169 C CG2 . THR D 1 17 ? 60.272 6.567 15.324 1.00 18.24 ? 17 THR D CG2 1 ATOM 5170 N N . ASP D 1 18 ? 57.154 3.225 14.807 1.00 9.92 ? 18 ASP D N 1 ATOM 5171 C CA . ASP D 1 18 ? 56.949 1.786 14.938 1.00 8.90 ? 18 ASP D CA 1 ATOM 5172 C C . ASP D 1 18 ? 56.087 1.277 13.790 1.00 7.85 ? 18 ASP D C 1 ATOM 5173 O O . ASP D 1 18 ? 54.991 1.783 13.571 1.00 8.17 ? 18 ASP D O 1 ATOM 5174 C CB . ASP D 1 18 ? 56.252 1.478 16.258 1.00 9.35 ? 18 ASP D CB 1 ATOM 5175 C CG . ASP D 1 18 ? 56.980 2.014 17.471 1.00 10.01 ? 18 ASP D CG 1 ATOM 5176 O OD1 . ASP D 1 18 ? 58.205 2.252 17.415 1.00 11.03 ? 18 ASP D OD1 1 ATOM 5177 O OD2 . ASP D 1 18 ? 56.306 2.179 18.513 1.00 11.00 ? 18 ASP D OD2 1 ATOM 5178 N N . HIS D 1 19 ? 56.574 0.299 13.039 1.00 6.59 ? 19 HIS D N 1 ATOM 5179 C CA . HIS D 1 19 ? 55.816 -0.219 11.905 1.00 6.56 ? 19 HIS D CA 1 ATOM 5180 C C . HIS D 1 19 ? 56.338 -1.585 11.452 1.00 6.98 ? 19 HIS D C 1 ATOM 5181 O O . HIS D 1 19 ? 57.437 -2.001 11.809 1.00 7.52 ? 19 HIS D O 1 ATOM 5182 C CB . HIS D 1 19 ? 55.780 0.802 10.731 1.00 7.22 ? 19 HIS D CB 1 ATOM 5183 C CG . HIS D 1 19 ? 57.109 1.061 10.075 1.00 8.68 ? 19 HIS D CG 1 ATOM 5184 N ND1 . HIS D 1 19 ? 58.096 1.822 10.663 1.00 9.90 ? 19 HIS D ND1 1 ATOM 5185 C CD2 . HIS D 1 19 ? 57.599 0.689 8.868 1.00 9.94 ? 19 HIS D CD2 1 ATOM 5186 C CE1 . HIS D 1 19 ? 59.129 1.927 9.845 1.00 10.61 ? 19 HIS D CE1 1 ATOM 5187 N NE2 . HIS D 1 19 ? 58.858 1.243 8.749 1.00 11.17 ? 19 HIS D NE2 1 ATOM 5188 N N . VAL D 1 20 ? 55.523 -2.278 10.663 1.00 6.33 ? 20 VAL D N 1 ATOM 5189 C CA . VAL D 1 20 ? 55.939 -3.512 10.012 1.00 6.51 ? 20 VAL D CA 1 ATOM 5190 C C . VAL D 1 20 ? 55.781 -3.334 8.512 1.00 6.58 ? 20 VAL D C 1 ATOM 5191 O O . VAL D 1 20 ? 54.746 -2.875 8.029 1.00 7.19 ? 20 VAL D O 1 ATOM 5192 C CB . VAL D 1 20 ? 55.081 -4.711 10.465 1.00 7.70 ? 20 VAL D CB 1 ATOM 5193 C CG1 . VAL D 1 20 ? 55.501 -5.996 9.713 1.00 9.92 ? 20 VAL D CG1 1 ATOM 5194 C CG2 . VAL D 1 20 ? 55.198 -4.926 11.964 1.00 8.04 ? 20 VAL D CG2 1 ATOM 5195 N N . ASN D 1 21 ? 56.834 -3.672 7.774 1.00 6.41 ? 21 ASN D N 1 ATOM 5196 C CA . ASN D 1 21 ? 56.734 -3.711 6.326 1.00 7.64 ? 21 ASN D CA 1 ATOM 5197 C C . ASN D 1 21 ? 56.369 -5.131 5.902 1.00 7.46 ? 21 ASN D C 1 ATOM 5198 O O . ASN D 1 21 ? 56.992 -6.101 6.354 1.00 9.09 ? 21 ASN D O 1 ATOM 5199 C CB . ASN D 1 21 ? 58.070 -3.341 5.681 1.00 9.11 ? 21 ASN D CB 1 ATOM 5200 C CG . ASN D 1 21 ? 58.506 -1.925 5.981 1.00 10.99 ? 21 ASN D CG 1 ATOM 5201 O OD1 . ASN D 1 21 ? 57.691 -1.014 6.046 1.00 12.69 ? 21 ASN D OD1 1 ATOM 5202 N ND2 . ASN D 1 21 ? 59.797 -1.737 6.185 1.00 13.18 ? 21 ASN D ND2 1 ATOM 5203 N N . LEU D 1 22 ? 55.382 -5.262 5.030 1.00 8.34 ? 22 LEU D N 1 ATOM 5204 C CA . LEU D 1 22 ? 54.998 -6.551 4.501 1.00 9.37 ? 22 LEU D CA 1 ATOM 5205 C C . LEU D 1 22 ? 55.473 -6.647 3.063 1.00 10.66 ? 22 LEU D C 1 ATOM 5206 O O . LEU D 1 22 ? 55.254 -5.738 2.267 1.00 11.44 ? 22 LEU D O 1 ATOM 5207 C CB . LEU D 1 22 ? 53.479 -6.729 4.562 1.00 9.52 ? 22 LEU D CB 1 ATOM 5208 C CG . LEU D 1 22 ? 52.837 -6.613 5.945 1.00 9.34 ? 22 LEU D CG 1 ATOM 5209 C CD1 . LEU D 1 22 ? 51.333 -6.811 5.844 1.00 9.96 ? 22 LEU D CD1 1 ATOM 5210 C CD2 . LEU D 1 22 ? 53.459 -7.596 6.949 1.00 11.19 ? 22 LEU D CD2 1 ATOM 5211 N N . ILE D 1 23 ? 56.121 -7.756 2.745 1.00 12.29 ? 23 ILE D N 1 ATOM 5212 C CA . ILE D 1 23 ? 56.734 -7.959 1.438 1.00 15.67 ? 23 ILE D CA 1 ATOM 5213 C C . ILE D 1 23 ? 55.956 -8.978 0.622 1.00 17.12 ? 23 ILE D C 1 ATOM 5214 O O . ILE D 1 23 ? 55.706 -10.090 1.082 1.00 16.14 ? 23 ILE D O 1 ATOM 5215 C CB . ILE D 1 23 ? 58.159 -8.509 1.614 1.00 18.94 ? 23 ILE D CB 1 ATOM 5216 C CG1 . ILE D 1 23 ? 58.947 -7.657 2.607 1.00 21.29 ? 23 ILE D CG1 1 ATOM 5217 C CG2 . ILE D 1 23 ? 58.877 -8.571 0.281 1.00 20.05 ? 23 ILE D CG2 1 ATOM 5218 C CD1 . ILE D 1 23 ? 59.046 -6.212 2.213 1.00 22.37 ? 23 ILE D CD1 1 ATOM 5219 N N . THR D 1 24 ? 55.596 -8.616 -0.603 1.00 20.54 ? 24 THR D N 1 ATOM 5220 C CA . THR D 1 24 ? 54.928 -9.550 -1.498 1.00 24.43 ? 24 THR D CA 1 ATOM 5221 C C . THR D 1 24 ? 55.476 -9.292 -2.887 1.00 27.21 ? 24 THR D C 1 ATOM 5222 O O . THR D 1 24 ? 55.667 -8.141 -3.249 1.00 27.52 ? 24 THR D O 1 ATOM 5223 C CB . THR D 1 24 ? 53.391 -9.360 -1.486 1.00 24.81 ? 24 THR D CB 1 ATOM 5224 O OG1 . THR D 1 24 ? 52.775 -10.286 -2.395 1.00 24.92 ? 24 THR D OG1 1 ATOM 5225 C CG2 . THR D 1 24 ? 53.004 -7.941 -1.889 1.00 25.22 ? 24 THR D CG2 1 ATOM 5226 N N . PRO D 1 25 ? 55.747 -10.359 -3.659 1.00 30.35 ? 25 PRO D N 1 ATOM 5227 C CA . PRO D 1 25 ? 56.242 -10.261 -5.039 1.00 32.02 ? 25 PRO D CA 1 ATOM 5228 C C . PRO D 1 25 ? 55.138 -9.856 -6.016 1.00 32.90 ? 25 PRO D C 1 ATOM 5229 O O . PRO D 1 25 ? 54.895 -10.564 -6.998 1.00 34.00 ? 25 PRO D O 1 ATOM 5230 C CB . PRO D 1 25 ? 56.716 -11.688 -5.327 1.00 32.22 ? 25 PRO D CB 1 ATOM 5231 C CG . PRO D 1 25 ? 55.800 -12.540 -4.500 1.00 32.05 ? 25 PRO D CG 1 ATOM 5232 C CD . PRO D 1 25 ? 55.605 -11.764 -3.231 1.00 31.36 ? 25 PRO D CD 1 ATOM 5233 N N . LEU D 1 26 ? 54.493 -8.722 -5.756 1.00 32.37 ? 26 LEU D N 1 ATOM 5234 C CA . LEU D 1 26 ? 53.362 -8.280 -6.557 1.00 32.63 ? 26 LEU D CA 1 ATOM 5235 C C . LEU D 1 26 ? 53.849 -7.404 -7.708 1.00 32.30 ? 26 LEU D C 1 ATOM 5236 O O . LEU D 1 26 ? 54.215 -6.252 -7.508 1.00 32.21 ? 26 LEU D O 1 ATOM 5237 C CB . LEU D 1 26 ? 52.365 -7.519 -5.672 1.00 34.00 ? 26 LEU D CB 1 ATOM 5238 C CG . LEU D 1 26 ? 51.001 -7.170 -6.270 1.00 34.89 ? 26 LEU D CG 1 ATOM 5239 C CD1 . LEU D 1 26 ? 50.375 -8.371 -6.964 1.00 35.04 ? 26 LEU D CD1 1 ATOM 5240 C CD2 . LEU D 1 26 ? 50.082 -6.649 -5.162 1.00 35.38 ? 26 LEU D CD2 1 ATOM 5241 N N . GLU D 1 27 ? 53.867 -7.951 -8.916 1.00 32.01 ? 27 GLU D N 1 ATOM 5242 C CA . GLU D 1 27 ? 54.374 -7.191 -10.049 1.00 32.36 ? 27 GLU D CA 1 ATOM 5243 C C . GLU D 1 27 ? 53.307 -6.838 -11.082 1.00 30.27 ? 27 GLU D C 1 ATOM 5244 O O . GLU D 1 27 ? 53.544 -6.015 -11.961 1.00 30.96 ? 27 GLU D O 1 ATOM 5245 C CB . GLU D 1 27 ? 55.545 -7.935 -10.701 1.00 35.51 ? 27 GLU D CB 1 ATOM 5246 C CG . GLU D 1 27 ? 56.840 -7.796 -9.913 1.00 38.61 ? 27 GLU D CG 1 ATOM 5247 C CD . GLU D 1 27 ? 58.049 -7.534 -10.794 1.00 41.29 ? 27 GLU D CD 1 ATOM 5248 O OE1 . GLU D 1 27 ? 58.196 -8.204 -11.844 1.00 41.92 ? 27 GLU D OE1 1 ATOM 5249 O OE2 . GLU D 1 27 ? 58.856 -6.645 -10.433 1.00 42.60 ? 27 GLU D OE2 1 ATOM 5250 N N . LYS D 1 28 ? 52.128 -7.442 -10.974 1.00 28.21 ? 28 LYS D N 1 ATOM 5251 C CA . LYS D 1 28 ? 51.054 -7.139 -11.903 1.00 26.80 ? 28 LYS D CA 1 ATOM 5252 C C . LYS D 1 28 ? 49.984 -6.315 -11.182 1.00 23.12 ? 28 LYS D C 1 ATOM 5253 O O . LYS D 1 28 ? 49.644 -6.593 -10.034 1.00 23.06 ? 28 LYS D O 1 ATOM 5254 C CB . LYS D 1 28 ? 50.446 -8.423 -12.467 1.00 29.36 ? 28 LYS D CB 1 ATOM 5255 C CG . LYS D 1 28 ? 51.437 -9.268 -13.267 1.00 32.50 ? 28 LYS D CG 1 ATOM 5256 C CD . LYS D 1 28 ? 50.790 -10.546 -13.791 1.00 35.59 ? 28 LYS D CD 1 ATOM 5257 C CE . LYS D 1 28 ? 51.783 -11.384 -14.584 1.00 37.79 ? 28 LYS D CE 1 ATOM 5258 N NZ . LYS D 1 28 ? 51.173 -12.632 -15.143 1.00 39.22 ? 28 LYS D NZ 1 ATOM 5259 N N . PRO D 1 29 ? 49.459 -5.284 -11.851 1.00 20.23 ? 29 PRO D N 1 ATOM 5260 C CA . PRO D 1 29 ? 48.406 -4.473 -11.231 1.00 18.30 ? 29 PRO D CA 1 ATOM 5261 C C . PRO D 1 29 ? 47.236 -5.346 -10.823 1.00 16.35 ? 29 PRO D C 1 ATOM 5262 O O . PRO D 1 29 ? 46.935 -6.357 -11.483 1.00 17.32 ? 29 PRO D O 1 ATOM 5263 C CB . PRO D 1 29 ? 48.006 -3.520 -12.344 1.00 19.43 ? 29 PRO D CB 1 ATOM 5264 C CG . PRO D 1 29 ? 49.255 -3.409 -13.191 1.00 20.83 ? 29 PRO D CG 1 ATOM 5265 C CD . PRO D 1 29 ? 49.861 -4.767 -13.172 1.00 20.55 ? 29 PRO D CD 1 ATOM 5266 N N . LEU D 1 30 ? 46.572 -4.941 -9.748 1.00 13.86 ? 30 LEU D N 1 ATOM 5267 C CA . LEU D 1 30 ? 45.501 -5.727 -9.160 1.00 13.94 ? 30 LEU D CA 1 ATOM 5268 C C . LEU D 1 30 ? 44.139 -5.278 -9.655 1.00 12.53 ? 30 LEU D C 1 ATOM 5269 O O . LEU D 1 30 ? 43.791 -4.108 -9.550 1.00 12.35 ? 30 LEU D O 1 ATOM 5270 C CB . LEU D 1 30 ? 45.514 -5.554 -7.649 1.00 16.86 ? 30 LEU D CB 1 ATOM 5271 C CG . LEU D 1 30 ? 46.444 -6.394 -6.788 1.00 19.13 ? 30 LEU D CG 1 ATOM 5272 C CD1 . LEU D 1 30 ? 46.302 -5.947 -5.336 1.00 19.81 ? 30 LEU D CD1 1 ATOM 5273 C CD2 . LEU D 1 30 ? 46.112 -7.867 -6.923 1.00 19.91 ? 30 LEU D CD2 1 ATOM 5274 N N . GLN D 1 31 ? 43.368 -6.225 -10.162 1.00 12.17 ? 31 GLN D N 1 ATOM 5275 C CA . GLN D 1 31 ? 42.007 -5.972 -10.607 1.00 12.39 ? 31 GLN D CA 1 ATOM 5276 C C . GLN D 1 31 ? 40.986 -6.278 -9.513 1.00 9.77 ? 31 GLN D C 1 ATOM 5277 O O . GLN D 1 31 ? 39.984 -5.595 -9.387 1.00 9.87 ? 31 GLN D O 1 ATOM 5278 C CB . GLN D 1 31 ? 41.678 -6.835 -11.828 1.00 16.60 ? 31 GLN D CB 1 ATOM 5279 C CG . GLN D 1 31 ? 40.470 -6.345 -12.591 1.00 21.93 ? 31 GLN D CG 1 ATOM 5280 C CD . GLN D 1 31 ? 40.141 -7.148 -13.842 1.00 25.99 ? 31 GLN D CD 1 ATOM 5281 O OE1 . GLN D 1 31 ? 40.983 -7.878 -14.380 1.00 26.79 ? 31 GLN D OE1 1 ATOM 5282 N NE2 . GLN D 1 31 ? 38.893 -7.012 -14.307 1.00 27.12 ? 31 GLN D NE2 1 ATOM 5283 N N . ASN D 1 32 ? 41.276 -7.309 -8.730 1.00 8.16 ? 32 ASN D N 1 ATOM 5284 C CA . ASN D 1 32 ? 40.392 -7.823 -7.703 1.00 7.01 ? 32 ASN D CA 1 ATOM 5285 C C . ASN D 1 32 ? 41.232 -8.153 -6.474 1.00 6.39 ? 32 ASN D C 1 ATOM 5286 O O . ASN D 1 32 ? 42.350 -8.628 -6.602 1.00 8.81 ? 32 ASN D O 1 ATOM 5287 C CB . ASN D 1 32 ? 39.759 -9.145 -8.152 1.00 8.11 ? 32 ASN D CB 1 ATOM 5288 C CG . ASN D 1 32 ? 39.079 -9.049 -9.480 1.00 10.91 ? 32 ASN D CG 1 ATOM 5289 O OD1 . ASN D 1 32 ? 38.321 -8.110 -9.728 1.00 10.66 ? 32 ASN D OD1 1 ATOM 5290 N ND2 . ASN D 1 32 ? 39.324 -10.049 -10.342 1.00 14.22 ? 32 ASN D ND2 1 ATOM 5291 N N . PHE D 1 33 ? 40.690 -7.954 -5.273 1.00 5.35 ? 33 PHE D N 1 ATOM 5292 C CA . PHE D 1 33 ? 41.377 -8.456 -4.084 1.00 5.50 ? 33 PHE D CA 1 ATOM 5293 C C . PHE D 1 33 ? 40.409 -8.627 -2.945 1.00 5.38 ? 33 PHE D C 1 ATOM 5294 O O . PHE D 1 33 ? 39.331 -8.051 -2.935 1.00 5.57 ? 33 PHE D O 1 ATOM 5295 C CB . PHE D 1 33 ? 42.527 -7.533 -3.644 1.00 6.34 ? 33 PHE D CB 1 ATOM 5296 C CG . PHE D 1 33 ? 42.063 -6.219 -3.066 1.00 7.24 ? 33 PHE D CG 1 ATOM 5297 C CD1 . PHE D 1 33 ? 41.757 -6.108 -1.710 1.00 8.14 ? 33 PHE D CD1 1 ATOM 5298 C CD2 . PHE D 1 33 ? 41.927 -5.097 -3.857 1.00 7.68 ? 33 PHE D CD2 1 ATOM 5299 C CE1 . PHE D 1 33 ? 41.321 -4.930 -1.179 1.00 8.44 ? 33 PHE D CE1 1 ATOM 5300 C CE2 . PHE D 1 33 ? 41.492 -3.903 -3.314 1.00 7.51 ? 33 PHE D CE2 1 ATOM 5301 C CZ . PHE D 1 33 ? 41.177 -3.821 -1.978 1.00 7.67 ? 33 PHE D CZ 1 ATOM 5302 N N . THR D 1 34 ? 40.836 -9.441 -1.981 1.00 4.91 ? 34 THR D N 1 ATOM 5303 C CA . THR D 1 34 ? 40.214 -9.513 -0.663 1.00 4.70 ? 34 THR D CA 1 ATOM 5304 C C . THR D 1 34 ? 41.330 -9.439 0.357 1.00 4.98 ? 34 THR D C 1 ATOM 5305 O O . THR D 1 34 ? 42.361 -10.097 0.214 1.00 5.71 ? 34 THR D O 1 ATOM 5306 C CB . THR D 1 34 ? 39.385 -10.779 -0.462 1.00 5.89 ? 34 THR D CB 1 ATOM 5307 O OG1 . THR D 1 34 ? 38.426 -10.909 -1.510 1.00 7.31 ? 34 THR D OG1 1 ATOM 5308 C CG2 . THR D 1 34 ? 38.625 -10.729 0.850 1.00 6.71 ? 34 THR D CG2 1 ATOM 5309 N N . LEU D 1 35 ? 41.096 -8.670 1.418 1.00 4.33 ? 35 LEU D N 1 ATOM 5310 C CA . LEU D 1 35 ? 42.024 -8.555 2.532 1.00 4.72 ? 35 LEU D CA 1 ATOM 5311 C C . LEU D 1 35 ? 41.261 -8.842 3.818 1.00 4.96 ? 35 LEU D C 1 ATOM 5312 O O . LEU D 1 35 ? 40.243 -8.246 4.058 1.00 5.91 ? 35 LEU D O 1 ATOM 5313 C CB . LEU D 1 35 ? 42.600 -7.134 2.567 1.00 6.26 ? 35 LEU D CB 1 ATOM 5314 C CG . LEU D 1 35 ? 43.415 -6.701 3.779 1.00 8.39 ? 35 LEU D CG 1 ATOM 5315 C CD1 . LEU D 1 35 ? 44.737 -7.473 3.840 1.00 9.99 ? 35 LEU D CD1 1 ATOM 5316 C CD2 . LEU D 1 35 ? 43.631 -5.198 3.726 1.00 9.81 ? 35 LEU D CD2 1 ATOM 5317 N N A CYS D 1 36 ? 41.773 -9.752 4.647 0.66 4.62 ? 36 CYS D N 1 ATOM 5318 N N B CYS D 1 36 ? 41.793 -9.702 4.672 0.34 5.68 ? 36 CYS D N 1 ATOM 5319 C CA A CYS D 1 36 ? 41.165 -10.062 5.942 0.66 4.95 ? 36 CYS D CA 1 ATOM 5320 C CA B CYS D 1 36 ? 41.176 -9.864 5.973 0.34 6.62 ? 36 CYS D CA 1 ATOM 5321 C C A CYS D 1 36 ? 42.234 -9.954 7.030 0.66 4.68 ? 36 CYS D C 1 ATOM 5322 C C B CYS D 1 36 ? 42.190 -10.072 7.069 0.34 5.86 ? 36 CYS D C 1 ATOM 5323 O O A CYS D 1 36 ? 43.402 -10.201 6.769 0.66 4.30 ? 36 CYS D O 1 ATOM 5324 O O B CYS D 1 36 ? 43.248 -10.668 6.872 0.34 5.98 ? 36 CYS D O 1 ATOM 5325 C CB A CYS D 1 36 ? 40.567 -11.487 5.948 0.66 6.80 ? 36 CYS D CB 1 ATOM 5326 C CB B CYS D 1 36 ? 40.193 -11.022 5.967 0.34 8.57 ? 36 CYS D CB 1 ATOM 5327 S SG A CYS D 1 36 ? 39.157 -11.834 4.813 0.66 8.89 ? 36 CYS D SG 1 ATOM 5328 S SG B CYS D 1 36 ? 40.990 -12.605 6.178 0.34 10.21 ? 36 CYS D SG 1 ATOM 5329 N N . PHE D 1 37 ? 41.824 -9.583 8.242 1.00 4.86 ? 37 PHE D N 1 ATOM 5330 C CA . PHE D 1 37 ? 42.705 -9.591 9.389 1.00 4.65 ? 37 PHE D CA 1 ATOM 5331 C C . PHE D 1 37 ? 41.862 -9.388 10.636 1.00 4.84 ? 37 PHE D C 1 ATOM 5332 O O . PHE D 1 37 ? 40.716 -8.976 10.581 1.00 5.54 ? 37 PHE D O 1 ATOM 5333 C CB . PHE D 1 37 ? 43.806 -8.511 9.269 1.00 5.71 ? 37 PHE D CB 1 ATOM 5334 C CG . PHE D 1 37 ? 43.271 -7.138 9.015 1.00 7.43 ? 37 PHE D CG 1 ATOM 5335 C CD1 . PHE D 1 37 ? 43.038 -6.700 7.725 1.00 8.53 ? 37 PHE D CD1 1 ATOM 5336 C CD2 . PHE D 1 37 ? 42.957 -6.287 10.067 1.00 9.14 ? 37 PHE D CD2 1 ATOM 5337 C CE1 . PHE D 1 37 ? 42.518 -5.433 7.492 1.00 9.76 ? 37 PHE D CE1 1 ATOM 5338 C CE2 . PHE D 1 37 ? 42.440 -5.029 9.837 1.00 9.23 ? 37 PHE D CE2 1 ATOM 5339 C CZ . PHE D 1 37 ? 42.224 -4.604 8.555 1.00 9.31 ? 37 PHE D CZ 1 ATOM 5340 N N . ARG D 1 38 ? 42.496 -9.645 11.763 1.00 4.31 ? 38 ARG D N 1 ATOM 5341 C CA . ARG D 1 38 ? 41.908 -9.377 13.069 1.00 5.31 ? 38 ARG D CA 1 ATOM 5342 C C . ARG D 1 38 ? 42.661 -8.248 13.760 1.00 5.10 ? 38 ARG D C 1 ATOM 5343 O O . ARG D 1 38 ? 43.879 -8.160 13.655 1.00 6.92 ? 38 ARG D O 1 ATOM 5344 C CB . ARG D 1 38 ? 42.076 -10.596 13.968 1.00 8.93 ? 38 ARG D CB 1 ATOM 5345 C CG . ARG D 1 38 ? 41.375 -11.780 13.514 1.00 12.31 ? 38 ARG D CG 1 ATOM 5346 C CD . ARG D 1 38 ? 41.414 -12.879 14.578 1.00 13.26 ? 38 ARG D CD 1 ATOM 5347 N NE . ARG D 1 38 ? 41.071 -14.103 13.906 1.00 13.86 ? 38 ARG D NE 1 ATOM 5348 C CZ . ARG D 1 38 ? 39.841 -14.504 13.648 1.00 14.72 ? 38 ARG D CZ 1 ATOM 5349 N NH1 . ARG D 1 38 ? 38.788 -13.848 14.105 1.00 13.76 ? 38 ARG D NH1 1 ATOM 5350 N NH2 . ARG D 1 38 ? 39.669 -15.630 12.985 1.00 17.33 ? 38 ARG D NH2 1 ATOM 5351 N N . ALA D 1 39 ? 41.945 -7.394 14.474 1.00 4.47 ? 39 ALA D N 1 ATOM 5352 C CA . ALA D 1 39 ? 42.572 -6.271 15.158 1.00 4.61 ? 39 ALA D CA 1 ATOM 5353 C C . ALA D 1 39 ? 41.911 -6.025 16.500 1.00 3.97 ? 39 ALA D C 1 ATOM 5354 O O . ALA D 1 39 ? 40.719 -6.280 16.699 1.00 5.96 ? 39 ALA D O 1 ATOM 5355 C CB . ALA D 1 39 ? 42.495 -4.997 14.290 1.00 5.94 ? 39 ALA D CB 1 ATOM 5356 N N . TYR D 1 40 ? 42.726 -5.526 17.418 1.00 4.10 ? 40 TYR D N 1 ATOM 5357 C CA . TYR D 1 40 ? 42.246 -5.175 18.765 1.00 3.93 ? 40 TYR D CA 1 ATOM 5358 C C . TYR D 1 40 ? 42.955 -3.898 19.192 1.00 4.12 ? 40 TYR D C 1 ATOM 5359 O O . TYR D 1 40 ? 44.165 -3.886 19.412 1.00 5.42 ? 40 TYR D O 1 ATOM 5360 C CB . TYR D 1 40 ? 42.505 -6.336 19.708 1.00 4.20 ? 40 TYR D CB 1 ATOM 5361 C CG . TYR D 1 40 ? 41.860 -6.253 21.103 1.00 4.47 ? 40 TYR D CG 1 ATOM 5362 C CD1 . TYR D 1 40 ? 40.758 -5.466 21.372 1.00 4.92 ? 40 TYR D CD1 1 ATOM 5363 C CD2 . TYR D 1 40 ? 42.392 -6.997 22.133 1.00 4.94 ? 40 TYR D CD2 1 ATOM 5364 C CE1 . TYR D 1 40 ? 40.200 -5.426 22.666 1.00 4.83 ? 40 TYR D CE1 1 ATOM 5365 C CE2 . TYR D 1 40 ? 41.855 -6.982 23.376 1.00 5.06 ? 40 TYR D CE2 1 ATOM 5366 C CZ . TYR D 1 40 ? 40.775 -6.193 23.648 1.00 4.71 ? 40 TYR D CZ 1 ATOM 5367 O OH . TYR D 1 40 ? 40.214 -6.165 24.911 1.00 6.45 ? 40 TYR D OH 1 ATOM 5368 N N . SER D 1 41 ? 42.189 -2.810 19.272 1.00 4.54 ? 41 SER D N 1 ATOM 5369 C CA . SER D 1 41 ? 42.717 -1.510 19.637 1.00 4.78 ? 41 SER D CA 1 ATOM 5370 C C . SER D 1 41 ? 41.712 -0.786 20.511 1.00 5.53 ? 41 SER D C 1 ATOM 5371 O O . SER D 1 41 ? 40.508 -0.938 20.331 1.00 8.81 ? 41 SER D O 1 ATOM 5372 C CB . SER D 1 41 ? 42.959 -0.675 18.374 1.00 5.63 ? 41 SER D CB 1 ATOM 5373 O OG . SER D 1 41 ? 43.413 0.651 18.667 1.00 6.24 ? 41 SER D OG 1 ATOM 5374 N N . ASP D 1 42 ? 42.200 0.019 21.450 1.00 5.32 ? 42 ASP D N 1 ATOM 5375 C CA . ASP D 1 42 ? 41.307 0.901 22.210 1.00 6.02 ? 42 ASP D CA 1 ATOM 5376 C C . ASP D 1 42 ? 41.512 2.369 21.898 1.00 6.56 ? 42 ASP D C 1 ATOM 5377 O O . ASP D 1 42 ? 41.109 3.235 22.668 1.00 7.40 ? 42 ASP D O 1 ATOM 5378 C CB . ASP D 1 42 ? 41.319 0.615 23.730 1.00 7.37 ? 42 ASP D CB 1 ATOM 5379 C CG . ASP D 1 42 ? 42.678 0.716 24.367 1.00 8.57 ? 42 ASP D CG 1 ATOM 5380 O OD1 . ASP D 1 42 ? 43.563 1.383 23.824 1.00 9.70 ? 42 ASP D OD1 1 ATOM 5381 O OD2 . ASP D 1 42 ? 42.860 0.140 25.469 1.00 8.89 ? 42 ASP D OD2 1 ATOM 5382 N N . LEU D 1 43 ? 42.049 2.667 20.722 1.00 6.17 ? 43 LEU D N 1 ATOM 5383 C CA . LEU D 1 43 ? 42.082 4.055 20.242 1.00 6.44 ? 43 LEU D CA 1 ATOM 5384 C C . LEU D 1 43 ? 40.678 4.521 19.865 1.00 8.27 ? 43 LEU D C 1 ATOM 5385 O O . LEU D 1 43 ? 39.920 3.774 19.263 1.00 8.99 ? 43 LEU D O 1 ATOM 5386 C CB . LEU D 1 43 ? 42.985 4.202 19.004 1.00 7.26 ? 43 LEU D CB 1 ATOM 5387 C CG . LEU D 1 43 ? 44.484 4.020 19.154 1.00 6.86 ? 43 LEU D CG 1 ATOM 5388 C CD1 . LEU D 1 43 ? 45.125 3.934 17.772 1.00 7.02 ? 43 LEU D CD1 1 ATOM 5389 C CD2 . LEU D 1 43 ? 45.085 5.168 19.944 1.00 8.22 ? 43 LEU D CD2 1 ATOM 5390 N N . SER D 1 44 ? 40.360 5.764 20.208 1.00 10.24 ? 44 SER D N 1 ATOM 5391 C CA . SER D 1 44 ? 39.134 6.431 19.737 1.00 12.04 ? 44 SER D CA 1 ATOM 5392 C C . SER D 1 44 ? 39.368 7.351 18.549 1.00 11.42 ? 44 SER D C 1 ATOM 5393 O O . SER D 1 44 ? 38.448 7.632 17.766 1.00 12.64 ? 44 SER D O 1 ATOM 5394 C CB . SER D 1 44 ? 38.518 7.243 20.873 1.00 15.57 ? 44 SER D CB 1 ATOM 5395 O OG . SER D 1 44 ? 38.091 6.369 21.881 1.00 19.34 ? 44 SER D OG 1 ATOM 5396 N N . ARG D 1 45 ? 40.583 7.859 18.430 1.00 9.64 ? 45 ARG D N 1 ATOM 5397 C CA . ARG D 1 45 ? 40.933 8.672 17.282 1.00 9.22 ? 45 ARG D CA 1 ATOM 5398 C C . ARG D 1 45 ? 41.018 7.794 16.039 1.00 8.98 ? 45 ARG D C 1 ATOM 5399 O O . ARG D 1 45 ? 40.999 6.572 16.117 1.00 9.37 ? 45 ARG D O 1 ATOM 5400 C CB . ARG D 1 45 ? 42.249 9.406 17.532 1.00 9.63 ? 45 ARG D CB 1 ATOM 5401 C CG . ARG D 1 45 ? 43.466 8.524 17.686 1.00 10.86 ? 45 ARG D CG 1 ATOM 5402 C CD . ARG D 1 45 ? 44.737 9.281 17.322 1.00 10.30 ? 45 ARG D CD 1 ATOM 5403 N NE . ARG D 1 45 ? 45.916 8.532 17.746 1.00 10.07 ? 45 ARG D NE 1 ATOM 5404 C CZ . ARG D 1 45 ? 46.482 7.542 17.067 1.00 8.73 ? 45 ARG D CZ 1 ATOM 5405 N NH1 . ARG D 1 45 ? 46.018 7.183 15.881 1.00 7.29 ? 45 ARG D NH1 1 ATOM 5406 N NH2 . ARG D 1 45 ? 47.526 6.918 17.574 1.00 9.29 ? 45 ARG D NH2 1 ATOM 5407 N N . ALA D 1 46 ? 41.138 8.438 14.890 1.00 9.87 ? 46 ALA D N 1 ATOM 5408 C CA . ALA D 1 46 ? 41.312 7.734 13.631 1.00 9.94 ? 46 ALA D CA 1 ATOM 5409 C C . ALA D 1 46 ? 42.668 7.042 13.562 1.00 9.32 ? 46 ALA D C 1 ATOM 5410 O O . ALA D 1 46 ? 43.648 7.487 14.173 1.00 9.78 ? 46 ALA D O 1 ATOM 5411 C CB . ALA D 1 46 ? 41.173 8.681 12.471 1.00 12.40 ? 46 ALA D CB 1 ATOM 5412 N N . TYR D 1 47 ? 42.709 5.965 12.791 1.00 7.88 ? 47 TYR D N 1 ATOM 5413 C CA . TYR D 1 47 ? 43.956 5.262 12.543 1.00 6.73 ? 47 TYR D CA 1 ATOM 5414 C C . TYR D 1 47 ? 43.923 4.426 11.283 1.00 6.83 ? 47 TYR D C 1 ATOM 5415 O O . TYR D 1 47 ? 42.868 3.981 10.839 1.00 7.65 ? 47 TYR D O 1 ATOM 5416 C CB . TYR D 1 47 ? 44.331 4.358 13.717 1.00 7.60 ? 47 TYR D CB 1 ATOM 5417 C CG . TYR D 1 47 ? 43.268 3.396 14.221 1.00 6.92 ? 47 TYR D CG 1 ATOM 5418 C CD1 . TYR D 1 47 ? 43.148 2.120 13.685 1.00 7.08 ? 47 TYR D CD1 1 ATOM 5419 C CD2 . TYR D 1 47 ? 42.431 3.736 15.288 1.00 7.09 ? 47 TYR D CD2 1 ATOM 5420 C CE1 . TYR D 1 47 ? 42.218 1.224 14.185 1.00 7.37 ? 47 TYR D CE1 1 ATOM 5421 C CE2 . TYR D 1 47 ? 41.493 2.854 15.783 1.00 7.86 ? 47 TYR D CE2 1 ATOM 5422 C CZ . TYR D 1 47 ? 41.395 1.590 15.232 1.00 8.16 ? 47 TYR D CZ 1 ATOM 5423 O OH . TYR D 1 47 ? 40.483 0.685 15.725 1.00 9.18 ? 47 TYR D OH 1 ATOM 5424 N N . SER D 1 48 ? 45.104 4.211 10.719 1.00 6.21 ? 48 SER D N 1 ATOM 5425 C CA . SER D 1 48 ? 45.272 3.319 9.590 1.00 6.76 ? 48 SER D CA 1 ATOM 5426 C C . SER D 1 48 ? 45.399 1.869 10.036 1.00 6.05 ? 48 SER D C 1 ATOM 5427 O O . SER D 1 48 ? 46.160 1.557 10.948 1.00 7.23 ? 48 SER D O 1 ATOM 5428 C CB . SER D 1 48 ? 46.537 3.718 8.842 1.00 8.10 ? 48 SER D CB 1 ATOM 5429 O OG . SER D 1 48 ? 46.738 2.894 7.713 1.00 9.24 ? 48 SER D OG 1 ATOM 5430 N N . LEU D 1 49 ? 44.679 0.991 9.349 1.00 5.66 ? 49 LEU D N 1 ATOM 5431 C CA . LEU D 1 49 ? 44.798 -0.447 9.552 1.00 5.85 ? 49 LEU D CA 1 ATOM 5432 C C . LEU D 1 49 ? 45.747 -1.122 8.549 1.00 5.98 ? 49 LEU D C 1 ATOM 5433 O O . LEU D 1 49 ? 46.494 -2.018 8.909 1.00 7.39 ? 49 LEU D O 1 ATOM 5434 C CB . LEU D 1 49 ? 43.404 -1.085 9.487 1.00 6.91 ? 49 LEU D CB 1 ATOM 5435 C CG . LEU D 1 49 ? 42.535 -0.812 10.719 1.00 8.73 ? 49 LEU D CG 1 ATOM 5436 C CD1 . LEU D 1 49 ? 41.071 -1.132 10.462 1.00 10.70 ? 49 LEU D CD1 1 ATOM 5437 C CD2 . LEU D 1 49 ? 43.103 -1.603 11.901 1.00 10.16 ? 49 LEU D CD2 1 ATOM 5438 N N . PHE D 1 50 ? 45.713 -0.697 7.292 1.00 5.09 ? 50 PHE D N 1 ATOM 5439 C CA . PHE D 1 50 ? 46.537 -1.314 6.235 1.00 5.45 ? 50 PHE D CA 1 ATOM 5440 C C . PHE D 1 50 ? 46.819 -0.268 5.187 1.00 4.91 ? 50 PHE D C 1 ATOM 5441 O O . PHE D 1 50 ? 45.877 0.285 4.605 1.00 5.78 ? 50 PHE D O 1 ATOM 5442 C CB . PHE D 1 50 ? 45.751 -2.471 5.629 1.00 5.78 ? 50 PHE D CB 1 ATOM 5443 C CG . PHE D 1 50 ? 46.478 -3.252 4.559 1.00 6.03 ? 50 PHE D CG 1 ATOM 5444 C CD1 . PHE D 1 50 ? 46.370 -2.889 3.224 1.00 6.57 ? 50 PHE D CD1 1 ATOM 5445 C CD2 . PHE D 1 50 ? 47.197 -4.403 4.880 1.00 6.94 ? 50 PHE D CD2 1 ATOM 5446 C CE1 . PHE D 1 50 ? 46.990 -3.633 2.226 1.00 7.00 ? 50 PHE D CE1 1 ATOM 5447 C CE2 . PHE D 1 50 ? 47.802 -5.147 3.894 1.00 6.80 ? 50 PHE D CE2 1 ATOM 5448 C CZ . PHE D 1 50 ? 47.689 -4.782 2.568 1.00 7.60 ? 50 PHE D CZ 1 ATOM 5449 N N . SER D 1 51 ? 48.098 0.046 4.980 1.00 5.02 ? 51 SER D N 1 ATOM 5450 C CA . SER D 1 51 ? 48.513 1.132 4.101 1.00 5.06 ? 51 SER D CA 1 ATOM 5451 C C . SER D 1 51 ? 49.362 0.598 2.943 1.00 4.48 ? 51 SER D C 1 ATOM 5452 O O . SER D 1 51 ? 50.425 0.019 3.147 1.00 5.77 ? 51 SER D O 1 ATOM 5453 C CB . SER D 1 51 ? 49.292 2.141 4.942 1.00 5.87 ? 51 SER D CB 1 ATOM 5454 O OG . SER D 1 51 ? 49.896 3.155 4.148 1.00 6.95 ? 51 SER D OG 1 ATOM 5455 N N . TYR D 1 52 ? 48.868 0.796 1.724 1.00 5.23 ? 52 TYR D N 1 ATOM 5456 C CA . TYR D 1 52 ? 49.531 0.314 0.513 1.00 5.78 ? 52 TYR D CA 1 ATOM 5457 C C . TYR D 1 52 ? 49.697 1.504 -0.421 1.00 5.57 ? 52 TYR D C 1 ATOM 5458 O O . TYR D 1 52 ? 48.709 2.080 -0.902 1.00 6.31 ? 52 TYR D O 1 ATOM 5459 C CB . TYR D 1 52 ? 48.657 -0.823 -0.057 1.00 6.01 ? 52 TYR D CB 1 ATOM 5460 C CG . TYR D 1 52 ? 48.909 -1.438 -1.428 1.00 6.65 ? 52 TYR D CG 1 ATOM 5461 C CD1 . TYR D 1 52 ? 48.951 -0.692 -2.598 1.00 7.45 ? 52 TYR D CD1 1 ATOM 5462 C CD2 . TYR D 1 52 ? 48.964 -2.823 -1.555 1.00 6.90 ? 52 TYR D CD2 1 ATOM 5463 C CE1 . TYR D 1 52 ? 49.094 -1.315 -3.846 1.00 8.15 ? 52 TYR D CE1 1 ATOM 5464 C CE2 . TYR D 1 52 ? 49.099 -3.442 -2.776 1.00 8.64 ? 52 TYR D CE2 1 ATOM 5465 C CZ . TYR D 1 52 ? 49.174 -2.697 -3.913 1.00 9.26 ? 52 TYR D CZ 1 ATOM 5466 O OH . TYR D 1 52 ? 49.316 -3.353 -5.116 1.00 10.66 ? 52 TYR D OH 1 ATOM 5467 N N . ASN D 1 53 ? 50.961 1.902 -0.637 1.00 6.19 ? 53 ASN D N 1 ATOM 5468 C CA . ASN D 1 53 ? 51.313 3.016 -1.502 1.00 6.26 ? 53 ASN D CA 1 ATOM 5469 C C . ASN D 1 53 ? 52.209 2.503 -2.606 1.00 6.99 ? 53 ASN D C 1 ATOM 5470 O O . ASN D 1 53 ? 52.914 1.519 -2.444 1.00 7.96 ? 53 ASN D O 1 ATOM 5471 C CB . ASN D 1 53 ? 52.059 4.108 -0.732 1.00 6.91 ? 53 ASN D CB 1 ATOM 5472 C CG . ASN D 1 53 ? 51.130 5.095 -0.047 1.00 6.43 ? 53 ASN D CG 1 ATOM 5473 O OD1 . ASN D 1 53 ? 49.955 4.832 0.165 1.00 7.53 ? 53 ASN D OD1 1 ATOM 5474 N ND2 . ASN D 1 53 ? 51.672 6.246 0.322 1.00 7.55 ? 53 ASN D ND2 1 ATOM 5475 N N . THR D 1 54 ? 52.172 3.175 -3.747 1.00 7.13 ? 54 THR D N 1 ATOM 5476 C CA . THR D 1 54 ? 53.076 2.856 -4.853 1.00 8.55 ? 54 THR D CA 1 ATOM 5477 C C . THR D 1 54 ? 53.849 4.113 -5.223 1.00 9.21 ? 54 THR D C 1 ATOM 5478 O O . THR D 1 54 ? 53.552 5.199 -4.731 1.00 9.41 ? 54 THR D O 1 ATOM 5479 C CB . THR D 1 54 ? 52.317 2.226 -6.052 1.00 9.67 ? 54 THR D CB 1 ATOM 5480 O OG1 . THR D 1 54 ? 51.382 3.140 -6.607 1.00 11.31 ? 54 THR D OG1 1 ATOM 5481 C CG2 . THR D 1 54 ? 51.566 0.980 -5.631 1.00 8.82 ? 54 THR D CG2 1 ATOM 5482 N N . GLN D 1 55 ? 54.839 3.984 -6.101 1.00 11.23 ? 55 GLN D N 1 ATOM 5483 C CA . GLN D 1 55 ? 55.665 5.132 -6.440 1.00 13.60 ? 55 GLN D CA 1 ATOM 5484 C C . GLN D 1 55 ? 54.806 6.251 -7.042 1.00 13.18 ? 55 GLN D C 1 ATOM 5485 O O . GLN D 1 55 ? 54.130 6.040 -8.049 1.00 13.96 ? 55 GLN D O 1 ATOM 5486 C CB . GLN D 1 55 ? 56.744 4.711 -7.435 1.00 16.39 ? 55 GLN D CB 1 ATOM 5487 C CG . GLN D 1 55 ? 57.852 5.722 -7.673 1.00 20.60 ? 55 GLN D CG 1 ATOM 5488 C CD . GLN D 1 55 ? 58.737 5.884 -6.444 1.00 23.80 ? 55 GLN D CD 1 ATOM 5489 O OE1 . GLN D 1 55 ? 58.509 6.758 -5.613 1.00 24.88 ? 55 GLN D OE1 1 ATOM 5490 N NE2 . GLN D 1 55 ? 59.755 5.031 -6.328 1.00 25.32 ? 55 GLN D NE2 1 ATOM 5491 N N . GLY D 1 56 ? 54.830 7.425 -6.409 1.00 12.53 ? 56 GLY D N 1 ATOM 5492 C CA . GLY D 1 56 ? 54.046 8.574 -6.847 1.00 12.43 ? 56 GLY D CA 1 ATOM 5493 C C . GLY D 1 56 ? 52.554 8.552 -6.530 1.00 11.42 ? 56 GLY D C 1 ATOM 5494 O O . GLY D 1 56 ? 51.799 9.447 -6.932 1.00 12.76 ? 56 GLY D O 1 ATOM 5495 N N . ARG D 1 57 ? 52.119 7.550 -5.776 1.00 10.36 ? 57 ARG D N 1 ATOM 5496 C CA . ARG D 1 57 ? 50.702 7.366 -5.518 1.00 10.31 ? 57 ARG D CA 1 ATOM 5497 C C . ARG D 1 57 ? 50.412 7.083 -4.060 1.00 9.41 ? 57 ARG D C 1 ATOM 5498 O O . ARG D 1 57 ? 50.690 6.002 -3.542 1.00 10.38 ? 57 ARG D O 1 ATOM 5499 C CB . ARG D 1 57 ? 50.169 6.223 -6.370 1.00 9.88 ? 57 ARG D CB 1 ATOM 5500 C CG . ARG D 1 57 ? 50.292 6.499 -7.847 1.00 12.50 ? 57 ARG D CG 1 ATOM 5501 C CD . ARG D 1 57 ? 49.642 5.421 -8.662 1.00 16.48 ? 57 ARG D CD 1 ATOM 5502 N NE . ARG D 1 57 ? 48.201 5.599 -8.796 1.00 19.88 ? 57 ARG D NE 1 ATOM 5503 C CZ . ARG D 1 57 ? 47.626 6.550 -9.531 1.00 22.02 ? 57 ARG D CZ 1 ATOM 5504 N NH1 . ARG D 1 57 ? 48.371 7.450 -10.175 1.00 22.66 ? 57 ARG D NH1 1 ATOM 5505 N NH2 . ARG D 1 57 ? 46.305 6.617 -9.615 1.00 22.72 ? 57 ARG D NH2 1 ATOM 5506 N N . ASP D 1 58 ? 49.831 8.068 -3.404 1.00 8.03 ? 58 ASP D N 1 ATOM 5507 C CA . ASP D 1 58 ? 49.389 7.919 -2.029 1.00 7.52 ? 58 ASP D CA 1 ATOM 5508 C C . ASP D 1 58 ? 48.029 7.256 -1.969 1.00 6.94 ? 58 ASP D C 1 ATOM 5509 O O . ASP D 1 58 ? 47.189 7.458 -2.828 1.00 7.83 ? 58 ASP D O 1 ATOM 5510 C CB . ASP D 1 58 ? 49.296 9.302 -1.396 1.00 8.05 ? 58 ASP D CB 1 ATOM 5511 C CG . ASP D 1 58 ? 49.012 9.232 0.108 1.00 7.69 ? 58 ASP D CG 1 ATOM 5512 O OD1 . ASP D 1 58 ? 49.679 8.424 0.786 1.00 7.93 ? 58 ASP D OD1 1 ATOM 5513 O OD2 . ASP D 1 58 ? 48.155 9.984 0.644 1.00 9.01 ? 58 ASP D OD2 1 ATOM 5514 N N . ASN D 1 59 ? 47.803 6.493 -0.910 1.00 6.55 ? 59 ASN D N 1 ATOM 5515 C CA . ASN D 1 59 ? 46.491 5.890 -0.631 1.00 6.48 ? 59 ASN D CA 1 ATOM 5516 C C . ASN D 1 59 ? 46.007 5.092 -1.839 1.00 6.82 ? 59 ASN D C 1 ATOM 5517 O O . ASN D 1 59 ? 44.839 5.165 -2.240 1.00 7.64 ? 59 ASN D O 1 ATOM 5518 C CB . ASN D 1 59 ? 45.456 6.933 -0.235 1.00 7.01 ? 59 ASN D CB 1 ATOM 5519 C CG . ASN D 1 59 ? 45.857 7.705 0.990 1.00 7.45 ? 59 ASN D CG 1 ATOM 5520 O OD1 . ASN D 1 59 ? 46.839 7.381 1.636 1.00 7.45 ? 59 ASN D OD1 1 ATOM 5521 N ND2 . ASN D 1 59 ? 45.061 8.705 1.351 1.00 8.42 ? 59 ASN D ND2 1 ATOM 5522 N N . GLU D 1 60 ? 46.928 4.316 -2.406 1.00 6.77 ? 60 GLU D N 1 ATOM 5523 C CA . GLU D 1 60 ? 46.596 3.483 -3.535 1.00 6.34 ? 60 GLU D CA 1 ATOM 5524 C C . GLU D 1 60 ? 45.630 2.385 -3.096 1.00 6.43 ? 60 GLU D C 1 ATOM 5525 O O . GLU D 1 60 ? 44.684 2.081 -3.815 1.00 6.62 ? 60 GLU D O 1 ATOM 5526 C CB . GLU D 1 60 ? 47.882 2.946 -4.170 1.00 8.17 ? 60 GLU D CB 1 ATOM 5527 C CG . GLU D 1 60 ? 47.686 2.181 -5.457 1.00 8.89 ? 60 GLU D CG 1 ATOM 5528 C CD . GLU D 1 60 ? 47.119 3.003 -6.597 1.00 10.55 ? 60 GLU D CD 1 ATOM 5529 O OE1 . GLU D 1 60 ? 47.023 4.251 -6.496 1.00 11.48 ? 60 GLU D OE1 1 ATOM 5530 O OE2 . GLU D 1 60 ? 46.774 2.381 -7.626 1.00 11.85 ? 60 GLU D OE2 1 ATOM 5531 N N . LEU D 1 61 ? 45.878 1.814 -1.917 1.00 5.71 ? 61 LEU D N 1 ATOM 5532 C CA . LEU D 1 61 ? 44.931 0.912 -1.272 1.00 6.16 ? 61 LEU D CA 1 ATOM 5533 C C . LEU D 1 61 ? 45.103 1.169 0.218 1.00 6.00 ? 61 LEU D C 1 ATOM 5534 O O . LEU D 1 61 ? 46.148 0.877 0.779 1.00 7.68 ? 61 LEU D O 1 ATOM 5535 C CB . LEU D 1 61 ? 45.231 -0.544 -1.663 1.00 7.38 ? 61 LEU D CB 1 ATOM 5536 C CG . LEU D 1 61 ? 44.221 -1.660 -1.354 1.00 8.71 ? 61 LEU D CG 1 ATOM 5537 C CD1 . LEU D 1 61 ? 44.686 -3.016 -1.880 1.00 9.18 ? 61 LEU D CD1 1 ATOM 5538 C CD2 . LEU D 1 61 ? 43.949 -1.776 0.135 1.00 10.13 ? 61 LEU D CD2 1 ATOM 5539 N N . LEU D 1 62 ? 44.068 1.716 0.858 1.00 5.06 ? 62 LEU D N 1 ATOM 5540 C CA . LEU D 1 62 ? 44.162 2.044 2.265 1.00 4.44 ? 62 LEU D CA 1 ATOM 5541 C C . LEU D 1 62 ? 42.888 1.636 2.981 1.00 4.51 ? 62 LEU D C 1 ATOM 5542 O O . LEU D 1 62 ? 41.786 1.989 2.574 1.00 5.24 ? 62 LEU D O 1 ATOM 5543 C CB . LEU D 1 62 ? 44.438 3.545 2.449 1.00 5.62 ? 62 LEU D CB 1 ATOM 5544 C CG . LEU D 1 62 ? 44.348 4.142 3.856 1.00 5.86 ? 62 LEU D CG 1 ATOM 5545 C CD1 . LEU D 1 62 ? 45.419 3.651 4.790 1.00 5.38 ? 62 LEU D CD1 1 ATOM 5546 C CD2 . LEU D 1 62 ? 44.384 5.654 3.808 1.00 7.17 ? 62 LEU D CD2 1 ATOM 5547 N N . VAL D 1 63 ? 43.053 0.907 4.074 1.00 4.14 ? 63 VAL D N 1 ATOM 5548 C CA . VAL D 1 63 ? 41.943 0.580 4.982 1.00 4.52 ? 63 VAL D CA 1 ATOM 5549 C C . VAL D 1 63 ? 42.136 1.416 6.229 1.00 4.82 ? 63 VAL D C 1 ATOM 5550 O O . VAL D 1 63 ? 43.158 1.321 6.896 1.00 5.53 ? 63 VAL D O 1 ATOM 5551 C CB . VAL D 1 63 ? 41.912 -0.913 5.328 1.00 5.64 ? 63 VAL D CB 1 ATOM 5552 C CG1 . VAL D 1 63 ? 40.711 -1.222 6.228 1.00 6.51 ? 63 VAL D CG1 1 ATOM 5553 C CG2 . VAL D 1 63 ? 41.868 -1.746 4.048 1.00 7.72 ? 63 VAL D CG2 1 ATOM 5554 N N . TYR D 1 64 ? 41.146 2.257 6.520 1.00 5.00 ? 64 TYR D N 1 ATOM 5555 C CA . TYR D 1 64 ? 41.307 3.318 7.528 1.00 6.16 ? 64 TYR D CA 1 ATOM 5556 C C . TYR D 1 64 ? 40.071 3.352 8.422 1.00 6.59 ? 64 TYR D C 1 ATOM 5557 O O . TYR D 1 64 ? 38.966 3.216 7.936 1.00 7.36 ? 64 TYR D O 1 ATOM 5558 C CB . TYR D 1 64 ? 41.491 4.657 6.807 1.00 6.76 ? 64 TYR D CB 1 ATOM 5559 C CG . TYR D 1 64 ? 41.951 5.831 7.639 1.00 7.55 ? 64 TYR D CG 1 ATOM 5560 C CD1 . TYR D 1 64 ? 43.290 5.983 7.961 1.00 8.35 ? 64 TYR D CD1 1 ATOM 5561 C CD2 . TYR D 1 64 ? 41.062 6.818 8.037 1.00 8.98 ? 64 TYR D CD2 1 ATOM 5562 C CE1 . TYR D 1 64 ? 43.725 7.063 8.696 1.00 8.57 ? 64 TYR D CE1 1 ATOM 5563 C CE2 . TYR D 1 64 ? 41.488 7.902 8.775 1.00 9.51 ? 64 TYR D CE2 1 ATOM 5564 C CZ . TYR D 1 64 ? 42.820 8.027 9.081 1.00 9.93 ? 64 TYR D CZ 1 ATOM 5565 O OH . TYR D 1 64 ? 43.302 9.108 9.775 1.00 11.33 ? 64 TYR D OH 1 ATOM 5566 N N . LYS D 1 65 ? 40.277 3.502 9.729 1.00 7.14 ? 65 LYS D N 1 ATOM 5567 C CA . LYS D 1 65 ? 39.193 3.555 10.691 1.00 8.07 ? 65 LYS D CA 1 ATOM 5568 C C . LYS D 1 65 ? 39.031 4.982 11.135 1.00 9.41 ? 65 LYS D C 1 ATOM 5569 O O . LYS D 1 65 ? 39.838 5.498 11.880 1.00 9.41 ? 65 LYS D O 1 ATOM 5570 C CB . LYS D 1 65 ? 39.525 2.649 11.875 1.00 9.37 ? 65 LYS D CB 1 ATOM 5571 C CG . LYS D 1 65 ? 38.420 2.517 12.876 1.00 11.72 ? 65 LYS D CG 1 ATOM 5572 C CD . LYS D 1 65 ? 37.439 1.488 12.402 1.00 14.20 ? 65 LYS D CD 1 ATOM 5573 C CE . LYS D 1 65 ? 36.223 1.383 13.301 1.00 15.33 ? 65 LYS D CE 1 ATOM 5574 N NZ . LYS D 1 65 ? 36.568 1.090 14.722 1.00 16.94 ? 65 LYS D NZ 1 ATOM 5575 N N . GLU D 1 66 ? 37.945 5.598 10.692 1.00 12.85 ? 66 GLU D N 1 ATOM 5576 C CA . GLU D 1 66 ? 37.684 7.001 10.923 1.00 15.46 ? 66 GLU D CA 1 ATOM 5577 C C . GLU D 1 66 ? 37.330 7.313 12.385 1.00 13.80 ? 66 GLU D C 1 ATOM 5578 O O . GLU D 1 66 ? 37.742 8.320 12.980 1.00 14.76 ? 66 GLU D O 1 ATOM 5579 C CB . GLU D 1 66 ? 36.465 7.397 10.068 1.00 18.19 ? 66 GLU D CB 1 ATOM 5580 C CG . GLU D 1 66 ? 36.529 7.023 8.576 1.00 20.41 ? 66 GLU D CG 1 ATOM 5581 C CD . GLU D 1 66 ? 37.445 7.955 7.785 1.00 21.67 ? 66 GLU D CD 1 ATOM 5582 O OE1 . GLU D 1 66 ? 37.858 8.977 8.386 1.00 23.52 ? 66 GLU D OE1 1 ATOM 5583 O OE2 . GLU D 1 66 ? 37.759 7.673 6.587 1.00 20.83 ? 66 GLU D OE2 1 ATOM 5584 N N . ARG D 1 67 ? 36.498 6.448 12.919 1.00 10.80 ? 67 ARG D N 1 ATOM 5585 C CA . ARG D 1 67 ? 35.936 6.586 14.254 1.00 10.45 ? 67 ARG D CA 1 ATOM 5586 C C . ARG D 1 67 ? 35.219 5.280 14.498 1.00 9.77 ? 67 ARG D C 1 ATOM 5587 O O . ARG D 1 67 ? 35.059 4.469 13.584 1.00 9.73 ? 67 ARG D O 1 ATOM 5588 C CB . ARG D 1 67 ? 34.969 7.778 14.363 1.00 12.21 ? 67 ARG D CB 1 ATOM 5589 C CG . ARG D 1 67 ? 33.841 7.760 13.331 1.00 13.38 ? 67 ARG D CG 1 ATOM 5590 C CD . ARG D 1 67 ? 32.921 9.006 13.431 1.00 16.42 ? 67 ARG D CD 1 ATOM 5591 N NE . ARG D 1 67 ? 33.645 10.251 13.210 1.00 19.49 ? 67 ARG D NE 1 ATOM 5592 C CZ . ARG D 1 67 ? 33.985 10.735 12.020 1.00 22.60 ? 67 ARG D CZ 1 ATOM 5593 N NH1 . ARG D 1 67 ? 33.680 10.085 10.904 1.00 23.74 ? 67 ARG D NH1 1 ATOM 5594 N NH2 . ARG D 1 67 ? 34.644 11.885 11.950 1.00 25.00 ? 67 ARG D NH2 1 ATOM 5595 N N A VAL D 1 68 ? 34.769 5.071 15.723 0.44 10.72 ? 68 VAL D N 1 ATOM 5596 N N B VAL D 1 68 ? 34.765 5.070 15.726 0.56 10.94 ? 68 VAL D N 1 ATOM 5597 C CA A VAL D 1 68 ? 34.065 3.853 16.065 0.44 11.34 ? 68 VAL D CA 1 ATOM 5598 C CA B VAL D 1 68 ? 34.056 3.852 16.073 0.56 11.86 ? 68 VAL D CA 1 ATOM 5599 C C A VAL D 1 68 ? 32.883 3.662 15.120 0.44 10.69 ? 68 VAL D C 1 ATOM 5600 C C B VAL D 1 68 ? 32.883 3.662 15.118 0.56 10.90 ? 68 VAL D C 1 ATOM 5601 O O A VAL D 1 68 ? 32.156 4.610 14.811 0.44 10.76 ? 68 VAL D O 1 ATOM 5602 O O B VAL D 1 68 ? 32.159 4.611 14.805 0.56 10.99 ? 68 VAL D O 1 ATOM 5603 C CB A VAL D 1 68 ? 33.611 3.864 17.542 0.44 12.31 ? 68 VAL D CB 1 ATOM 5604 C CB B VAL D 1 68 ? 33.568 3.862 17.548 0.56 13.62 ? 68 VAL D CB 1 ATOM 5605 C CG1 A VAL D 1 68 ? 32.667 5.029 17.807 0.44 11.91 ? 68 VAL D CG1 1 ATOM 5606 C CG1 B VAL D 1 68 ? 32.585 2.727 17.794 0.56 15.04 ? 68 VAL D CG1 1 ATOM 5607 C CG2 A VAL D 1 68 ? 32.959 2.545 17.907 0.44 13.81 ? 68 VAL D CG2 1 ATOM 5608 C CG2 B VAL D 1 68 ? 34.750 3.771 18.521 0.56 14.34 ? 68 VAL D CG2 1 ATOM 5609 N N . GLY D 1 69 ? 32.736 2.440 14.624 1.00 10.24 ? 69 GLY D N 1 ATOM 5610 C CA . GLY D 1 69 ? 31.630 2.084 13.770 1.00 9.05 ? 69 GLY D CA 1 ATOM 5611 C C . GLY D 1 69 ? 31.727 2.495 12.320 1.00 9.22 ? 69 GLY D C 1 ATOM 5612 O O . GLY D 1 69 ? 30.751 2.332 11.607 1.00 10.79 ? 69 GLY D O 1 ATOM 5613 N N . GLU D 1 70 ? 32.867 3.024 11.887 1.00 7.74 ? 70 GLU D N 1 ATOM 5614 C CA . GLU D 1 70 ? 32.989 3.515 10.510 1.00 9.05 ? 70 GLU D CA 1 ATOM 5615 C C . GLU D 1 70 ? 34.300 3.065 9.901 1.00 8.22 ? 70 GLU D C 1 ATOM 5616 O O . GLU D 1 70 ? 35.368 3.405 10.382 1.00 10.09 ? 70 GLU D O 1 ATOM 5617 C CB . GLU D 1 70 ? 32.881 5.051 10.453 1.00 11.58 ? 70 GLU D CB 1 ATOM 5618 C CG . GLU D 1 70 ? 31.593 5.586 11.044 1.00 15.24 ? 70 GLU D CG 1 ATOM 5619 C CD . GLU D 1 70 ? 31.390 7.069 10.778 1.00 19.67 ? 70 GLU D CD 1 ATOM 5620 O OE1 . GLU D 1 70 ? 32.275 7.688 10.149 1.00 20.15 ? 70 GLU D OE1 1 ATOM 5621 O OE2 . GLU D 1 70 ? 30.340 7.614 11.204 1.00 23.06 ? 70 GLU D OE2 1 ATOM 5622 N N . TYR D 1 71 ? 34.192 2.349 8.796 1.00 5.89 ? 71 TYR D N 1 ATOM 5623 C CA . TYR D 1 71 ? 35.342 1.770 8.093 1.00 5.93 ? 71 TYR D CA 1 ATOM 5624 C C . TYR D 1 71 ? 35.442 2.343 6.702 1.00 6.16 ? 71 TYR D C 1 ATOM 5625 O O . TYR D 1 71 ? 34.441 2.408 5.984 1.00 7.31 ? 71 TYR D O 1 ATOM 5626 C CB . TYR D 1 71 ? 35.177 0.244 8.003 1.00 7.06 ? 71 TYR D CB 1 ATOM 5627 C CG . TYR D 1 71 ? 35.311 -0.424 9.348 1.00 8.17 ? 71 TYR D CG 1 ATOM 5628 C CD1 . TYR D 1 71 ? 34.223 -0.580 10.166 1.00 8.08 ? 71 TYR D CD1 1 ATOM 5629 C CD2 . TYR D 1 71 ? 36.547 -0.837 9.811 1.00 10.06 ? 71 TYR D CD2 1 ATOM 5630 C CE1 . TYR D 1 71 ? 34.352 -1.171 11.409 1.00 9.77 ? 71 TYR D CE1 1 ATOM 5631 C CE2 . TYR D 1 71 ? 36.686 -1.408 11.046 1.00 11.27 ? 71 TYR D CE2 1 ATOM 5632 C CZ . TYR D 1 71 ? 35.592 -1.587 11.837 1.00 11.23 ? 71 TYR D CZ 1 ATOM 5633 O OH . TYR D 1 71 ? 35.759 -2.157 13.074 1.00 12.69 ? 71 TYR D OH 1 ATOM 5634 N N . SER D 1 72 ? 36.634 2.802 6.325 1.00 5.76 ? 72 SER D N 1 ATOM 5635 C CA . SER D 1 72 ? 36.836 3.367 4.995 1.00 6.30 ? 72 SER D CA 1 ATOM 5636 C C . SER D 1 72 ? 37.833 2.553 4.184 1.00 4.98 ? 72 SER D C 1 ATOM 5637 O O . SER D 1 72 ? 38.805 2.004 4.713 1.00 5.37 ? 72 SER D O 1 ATOM 5638 C CB . SER D 1 72 ? 37.358 4.794 5.083 1.00 8.01 ? 72 SER D CB 1 ATOM 5639 O OG . SER D 1 72 ? 36.407 5.656 5.655 1.00 9.62 ? 72 SER D OG 1 ATOM 5640 N N . LEU D 1 73 ? 37.563 2.470 2.884 1.00 4.43 ? 73 LEU D N 1 ATOM 5641 C CA . LEU D 1 73 ? 38.506 1.920 1.915 1.00 4.81 ? 73 LEU D CA 1 ATOM 5642 C C . LEU D 1 73 ? 38.828 3.027 0.923 1.00 5.28 ? 73 LEU D C 1 ATOM 5643 O O . LEU D 1 73 ? 37.936 3.664 0.383 1.00 6.18 ? 73 LEU D O 1 ATOM 5644 C CB . LEU D 1 73 ? 37.895 0.735 1.169 1.00 5.04 ? 73 LEU D CB 1 ATOM 5645 C CG . LEU D 1 73 ? 38.769 0.168 0.043 1.00 6.40 ? 73 LEU D CG 1 ATOM 5646 C CD1 . LEU D 1 73 ? 39.988 -0.516 0.594 1.00 7.12 ? 73 LEU D CD1 1 ATOM 5647 C CD2 . LEU D 1 73 ? 37.959 -0.792 -0.797 1.00 6.25 ? 73 LEU D CD2 1 ATOM 5648 N N . TYR D 1 74 ? 40.117 3.226 0.679 1.00 4.63 ? 74 TYR D N 1 ATOM 5649 C CA . TYR D 1 74 ? 40.602 4.069 -0.389 1.00 5.13 ? 74 TYR D CA 1 ATOM 5650 C C . TYR D 1 74 ? 41.179 3.196 -1.485 1.00 5.72 ? 74 TYR D C 1 ATOM 5651 O O . TYR D 1 74 ? 41.921 2.265 -1.212 1.00 6.26 ? 74 TYR D O 1 ATOM 5652 C CB . TYR D 1 74 ? 41.709 5.004 0.096 1.00 6.68 ? 74 TYR D CB 1 ATOM 5653 C CG . TYR D 1 74 ? 41.281 6.045 1.076 1.00 8.88 ? 74 TYR D CG 1 ATOM 5654 C CD1 . TYR D 1 74 ? 40.971 5.709 2.391 1.00 10.48 ? 74 TYR D CD1 1 ATOM 5655 C CD2 . TYR D 1 74 ? 41.242 7.389 0.713 1.00 10.87 ? 74 TYR D CD2 1 ATOM 5656 C CE1 . TYR D 1 74 ? 40.600 6.666 3.303 1.00 12.09 ? 74 TYR D CE1 1 ATOM 5657 C CE2 . TYR D 1 74 ? 40.878 8.353 1.626 1.00 13.46 ? 74 TYR D CE2 1 ATOM 5658 C CZ . TYR D 1 74 ? 40.563 7.992 2.925 1.00 14.30 ? 74 TYR D CZ 1 ATOM 5659 O OH . TYR D 1 74 ? 40.194 8.967 3.845 1.00 17.59 ? 74 TYR D OH 1 ATOM 5660 N N . ILE D 1 75 ? 40.812 3.497 -2.721 1.00 6.11 ? 75 ILE D N 1 ATOM 5661 C CA . ILE D 1 75 ? 41.405 2.907 -3.924 1.00 6.44 ? 75 ILE D CA 1 ATOM 5662 C C . ILE D 1 75 ? 41.836 4.062 -4.813 1.00 6.52 ? 75 ILE D C 1 ATOM 5663 O O . ILE D 1 75 ? 41.015 4.890 -5.242 1.00 6.62 ? 75 ILE D O 1 ATOM 5664 C CB . ILE D 1 75 ? 40.389 2.031 -4.714 1.00 7.07 ? 75 ILE D CB 1 ATOM 5665 C CG1 . ILE D 1 75 ? 39.829 0.889 -3.851 1.00 7.13 ? 75 ILE D CG1 1 ATOM 5666 C CG2 . ILE D 1 75 ? 41.044 1.519 -6.003 1.00 7.99 ? 75 ILE D CG2 1 ATOM 5667 C CD1 . ILE D 1 75 ? 40.829 -0.195 -3.534 1.00 7.52 ? 75 ILE D CD1 1 ATOM 5668 N N . GLY D 1 76 ? 43.128 4.144 -5.078 1.00 6.86 ? 76 GLY D N 1 ATOM 5669 C CA . GLY D 1 76 ? 43.657 5.232 -5.887 1.00 7.93 ? 76 GLY D CA 1 ATOM 5670 C C . GLY D 1 76 ? 43.207 6.602 -5.432 1.00 8.20 ? 76 GLY D C 1 ATOM 5671 O O . GLY D 1 76 ? 42.781 7.427 -6.242 1.00 9.70 ? 76 GLY D O 1 ATOM 5672 N N . ARG D 1 77 ? 43.280 6.822 -4.121 1.00 8.16 ? 77 ARG D N 1 ATOM 5673 C CA . ARG D 1 77 ? 42.923 8.091 -3.475 1.00 11.02 ? 77 ARG D CA 1 ATOM 5674 C C . ARG D 1 77 ? 41.438 8.369 -3.288 1.00 11.29 ? 77 ARG D C 1 ATOM 5675 O O . ARG D 1 77 ? 41.059 9.237 -2.502 1.00 14.05 ? 77 ARG D O 1 ATOM 5676 C CB . ARG D 1 77 ? 43.652 9.303 -4.137 1.00 13.62 ? 77 ARG D CB 1 ATOM 5677 C CG . ARG D 1 77 ? 45.074 9.331 -3.726 1.00 16.98 ? 77 ARG D CG 1 ATOM 5678 C CD . ARG D 1 77 ? 46.035 9.742 -4.815 1.00 19.87 ? 77 ARG D CD 1 ATOM 5679 N NE . ARG D 1 77 ? 45.796 9.030 -6.067 1.00 21.01 ? 77 ARG D NE 1 ATOM 5680 C CZ . ARG D 1 77 ? 46.100 7.762 -6.318 1.00 19.37 ? 77 ARG D CZ 1 ATOM 5681 N NH1 . ARG D 1 77 ? 46.678 7.007 -5.396 1.00 14.05 ? 77 ARG D NH1 1 ATOM 5682 N NH2 . ARG D 1 77 ? 45.819 7.251 -7.510 1.00 21.24 ? 77 ARG D NH2 1 ATOM 5683 N N . HIS D 1 78 ? 40.598 7.628 -3.995 1.00 9.16 ? 78 HIS D N 1 ATOM 5684 C CA . HIS D 1 78 ? 39.160 7.796 -3.846 1.00 8.24 ? 78 HIS D CA 1 ATOM 5685 C C . HIS D 1 78 ? 38.714 6.980 -2.640 1.00 8.12 ? 78 HIS D C 1 ATOM 5686 O O . HIS D 1 78 ? 39.302 5.957 -2.342 1.00 8.64 ? 78 HIS D O 1 ATOM 5687 C CB . HIS D 1 78 ? 38.410 7.288 -5.076 1.00 9.22 ? 78 HIS D CB 1 ATOM 5688 C CG . HIS D 1 78 ? 38.688 8.064 -6.321 1.00 10.70 ? 78 HIS D CG 1 ATOM 5689 N ND1 . HIS D 1 78 ? 37.882 7.980 -7.433 1.00 11.89 ? 78 HIS D ND1 1 ATOM 5690 C CD2 . HIS D 1 78 ? 39.693 8.912 -6.645 1.00 11.01 ? 78 HIS D CD2 1 ATOM 5691 C CE1 . HIS D 1 78 ? 38.374 8.743 -8.389 1.00 11.82 ? 78 HIS D CE1 1 ATOM 5692 N NE2 . HIS D 1 78 ? 39.473 9.323 -7.938 1.00 11.79 ? 78 HIS D NE2 1 ATOM 5693 N N . LYS D 1 79 ? 37.662 7.405 -1.969 1.00 8.86 ? 79 LYS D N 1 ATOM 5694 C CA . LYS D 1 79 ? 37.260 6.696 -0.771 1.00 10.08 ? 79 LYS D CA 1 ATOM 5695 C C . LYS D 1 79 ? 35.771 6.371 -0.702 1.00 7.99 ? 79 LYS D C 1 ATOM 5696 O O . LYS D 1 79 ? 34.917 7.068 -1.267 1.00 8.77 ? 79 LYS D O 1 ATOM 5697 C CB . LYS D 1 79 ? 37.686 7.459 0.468 1.00 15.75 ? 79 LYS D CB 1 ATOM 5698 C CG . LYS D 1 79 ? 36.757 8.551 0.821 1.00 18.58 ? 79 LYS D CG 1 ATOM 5699 C CD . LYS D 1 79 ? 37.224 9.356 2.027 1.00 21.42 ? 79 LYS D CD 1 ATOM 5700 C CE . LYS D 1 79 ? 37.306 8.540 3.316 1.00 22.90 ? 79 LYS D CE 1 ATOM 5701 N NZ . LYS D 1 79 ? 37.758 9.386 4.486 1.00 25.12 ? 79 LYS D NZ 1 ATOM 5702 N N . VAL D 1 80 ? 35.493 5.272 -0.019 1.00 6.33 ? 80 VAL D N 1 ATOM 5703 C CA . VAL D 1 80 ? 34.162 4.922 0.423 1.00 6.11 ? 80 VAL D CA 1 ATOM 5704 C C . VAL D 1 80 ? 34.207 4.574 1.893 1.00 5.73 ? 80 VAL D C 1 ATOM 5705 O O . VAL D 1 80 ? 35.242 4.192 2.426 1.00 5.90 ? 80 VAL D O 1 ATOM 5706 C CB . VAL D 1 80 ? 33.574 3.729 -0.360 1.00 7.25 ? 80 VAL D CB 1 ATOM 5707 C CG1 . VAL D 1 80 ? 33.380 4.108 -1.823 1.00 7.99 ? 80 VAL D CG1 1 ATOM 5708 C CG2 . VAL D 1 80 ? 34.445 2.478 -0.224 1.00 6.93 ? 80 VAL D CG2 1 ATOM 5709 N N . THR D 1 81 ? 33.057 4.694 2.533 1.00 5.76 ? 81 THR D N 1 ATOM 5710 C CA . THR D 1 81 ? 32.929 4.464 3.956 1.00 6.56 ? 81 THR D CA 1 ATOM 5711 C C . THR D 1 81 ? 31.614 3.762 4.226 1.00 6.12 ? 81 THR D C 1 ATOM 5712 O O . THR D 1 81 ? 30.583 4.121 3.658 1.00 7.20 ? 81 THR D O 1 ATOM 5713 C CB . THR D 1 81 ? 32.935 5.797 4.745 1.00 9.29 ? 81 THR D CB 1 ATOM 5714 O OG1 . THR D 1 81 ? 34.118 6.547 4.455 1.00 10.89 ? 81 THR D OG1 1 ATOM 5715 C CG2 . THR D 1 81 ? 32.863 5.561 6.245 1.00 9.94 ? 81 THR D CG2 1 ATOM 5716 N N A SER D 1 82 ? 31.651 2.748 5.080 0.81 6.50 ? 82 SER D N 1 ATOM 5717 N N B SER D 1 82 ? 31.655 2.752 5.084 0.19 7.32 ? 82 SER D N 1 ATOM 5718 C CA A SER D 1 82 ? 30.441 2.076 5.533 0.81 6.26 ? 82 SER D CA 1 ATOM 5719 C CA B SER D 1 82 ? 30.448 2.068 5.519 0.19 8.18 ? 82 SER D CA 1 ATOM 5720 C C A SER D 1 82 ? 30.423 1.898 7.038 0.81 5.68 ? 82 SER D C 1 ATOM 5721 C C B SER D 1 82 ? 30.404 2.045 7.037 0.19 7.64 ? 82 SER D C 1 ATOM 5722 O O A SER D 1 82 ? 31.461 1.827 7.693 0.81 6.19 ? 82 SER D O 1 ATOM 5723 O O B SER D 1 82 ? 31.423 2.219 7.706 0.19 8.08 ? 82 SER D O 1 ATOM 5724 C CB A SER D 1 82 ? 30.227 0.742 4.819 0.81 9.36 ? 82 SER D CB 1 ATOM 5725 C CB B SER D 1 82 ? 30.396 0.645 4.966 0.19 9.86 ? 82 SER D CB 1 ATOM 5726 O OG A SER D 1 82 ? 29.724 1.018 3.517 0.81 9.99 ? 82 SER D OG 1 ATOM 5727 O OG B SER D 1 82 ? 31.577 -0.053 5.282 0.19 10.76 ? 82 SER D OG 1 ATOM 5728 N N . LYS D 1 83 ? 29.210 1.825 7.571 1.00 6.72 ? 83 LYS D N 1 ATOM 5729 C CA . LYS D 1 83 ? 28.977 1.899 9.008 1.00 7.38 ? 83 LYS D CA 1 ATOM 5730 C C . LYS D 1 83 ? 28.514 0.577 9.572 1.00 6.70 ? 83 LYS D C 1 ATOM 5731 O O . LYS D 1 83 ? 27.924 -0.247 8.871 1.00 7.12 ? 83 LYS D O 1 ATOM 5732 C CB . LYS D 1 83 ? 27.915 2.960 9.318 1.00 9.45 ? 83 LYS D CB 1 ATOM 5733 C CG . LYS D 1 83 ? 28.339 4.366 8.966 1.00 12.96 ? 83 LYS D CG 1 ATOM 5734 C CD . LYS D 1 83 ? 27.291 5.398 9.343 1.00 16.92 ? 83 LYS D CD 1 ATOM 5735 C CE . LYS D 1 83 ? 27.776 6.789 8.922 1.00 20.62 ? 83 LYS D CE 1 ATOM 5736 N NZ . LYS D 1 83 ? 27.088 7.875 9.661 1.00 22.83 ? 83 LYS D NZ 1 ATOM 5737 N N . VAL D 1 84 ? 28.786 0.371 10.854 1.00 6.62 ? 84 VAL D N 1 ATOM 5738 C CA . VAL D 1 84 ? 28.387 -0.861 11.513 1.00 7.37 ? 84 VAL D CA 1 ATOM 5739 C C . VAL D 1 84 ? 28.179 -0.594 12.988 1.00 7.26 ? 84 VAL D C 1 ATOM 5740 O O . VAL D 1 84 ? 28.808 0.297 13.554 1.00 8.11 ? 84 VAL D O 1 ATOM 5741 C CB . VAL D 1 84 ? 29.460 -1.968 11.316 1.00 8.62 ? 84 VAL D CB 1 ATOM 5742 C CG1 . VAL D 1 84 ? 30.750 -1.596 12.008 1.00 10.93 ? 84 VAL D CG1 1 ATOM 5743 C CG2 . VAL D 1 84 ? 28.935 -3.321 11.787 1.00 10.60 ? 84 VAL D CG2 1 ATOM 5744 N N . ILE D 1 85 ? 27.276 -1.354 13.601 1.00 7.26 ? 85 ILE D N 1 ATOM 5745 C CA . ILE D 1 85 ? 27.117 -1.366 15.044 1.00 8.77 ? 85 ILE D CA 1 ATOM 5746 C C . ILE D 1 85 ? 28.218 -2.226 15.640 1.00 10.48 ? 85 ILE D C 1 ATOM 5747 O O . ILE D 1 85 ? 28.332 -3.408 15.326 1.00 11.99 ? 85 ILE D O 1 ATOM 5748 C CB . ILE D 1 85 ? 25.764 -1.988 15.434 1.00 10.40 ? 85 ILE D CB 1 ATOM 5749 C CG1 . ILE D 1 85 ? 24.614 -1.109 14.923 1.00 12.39 ? 85 ILE D CG1 1 ATOM 5750 C CG2 . ILE D 1 85 ? 25.685 -2.179 16.949 1.00 10.71 ? 85 ILE D CG2 1 ATOM 5751 C CD1 . ILE D 1 85 ? 23.247 -1.788 14.978 1.00 13.73 ? 85 ILE D CD1 1 ATOM 5752 N N . GLU D 1 86 ? 29.021 -1.650 16.524 1.00 11.45 ? 86 GLU D N 1 ATOM 5753 C CA . GLU D 1 86 ? 30.073 -2.428 17.190 1.00 13.23 ? 86 GLU D CA 1 ATOM 5754 C C . GLU D 1 86 ? 30.238 -1.930 18.612 1.00 14.04 ? 86 GLU D C 1 ATOM 5755 O O . GLU D 1 86 ? 29.920 -0.790 18.914 1.00 14.94 ? 86 GLU D O 1 ATOM 5756 C CB . GLU D 1 86 ? 31.424 -2.383 16.435 1.00 15.13 ? 86 GLU D CB 1 ATOM 5757 C CG . GLU D 1 86 ? 31.993 -1.018 16.201 1.00 16.81 ? 86 GLU D CG 1 ATOM 5758 C CD . GLU D 1 86 ? 33.277 -1.040 15.360 1.00 16.80 ? 86 GLU D CD 1 ATOM 5759 O OE1 . GLU D 1 86 ? 33.571 -2.071 14.671 1.00 16.06 ? 86 GLU D OE1 1 ATOM 5760 O OE2 . GLU D 1 86 ? 33.998 -0.005 15.403 1.00 15.70 ? 86 GLU D OE2 1 ATOM 5761 N N . LYS D 1 87 ? 30.723 -2.802 19.483 1.00 13.84 ? 87 LYS D N 1 ATOM 5762 C CA . LYS D 1 87 ? 31.104 -2.393 20.826 1.00 14.65 ? 87 LYS D CA 1 ATOM 5763 C C . LYS D 1 87 ? 32.488 -1.776 20.822 1.00 13.26 ? 87 LYS D C 1 ATOM 5764 O O . LYS D 1 87 ? 33.289 -1.998 19.908 1.00 14.39 ? 87 LYS D O 1 ATOM 5765 C CB . LYS D 1 87 ? 31.091 -3.593 21.766 1.00 17.82 ? 87 LYS D CB 1 ATOM 5766 C CG . LYS D 1 87 ? 29.730 -4.253 21.843 1.00 21.69 ? 87 LYS D CG 1 ATOM 5767 C CD . LYS D 1 87 ? 29.756 -5.500 22.717 1.00 25.41 ? 87 LYS D CD 1 ATOM 5768 C CE . LYS D 1 87 ? 28.448 -6.269 22.595 1.00 28.77 ? 87 LYS D CE 1 ATOM 5769 N NZ . LYS D 1 87 ? 28.459 -7.575 23.318 1.00 31.46 ? 87 LYS D NZ 1 ATOM 5770 N N . PHE D 1 88 ? 32.766 -0.984 21.842 1.00 11.77 ? 88 PHE D N 1 ATOM 5771 C CA . PHE D 1 88 ? 34.073 -0.358 21.972 1.00 10.95 ? 88 PHE D CA 1 ATOM 5772 C C . PHE D 1 88 ? 34.554 -0.336 23.422 1.00 10.35 ? 88 PHE D C 1 ATOM 5773 O O . PHE D 1 88 ? 33.810 0.104 24.296 1.00 12.26 ? 88 PHE D O 1 ATOM 5774 C CB . PHE D 1 88 ? 34.050 1.092 21.479 1.00 12.20 ? 88 PHE D CB 1 ATOM 5775 C CG . PHE D 1 88 ? 35.336 1.820 21.782 1.00 12.30 ? 88 PHE D CG 1 ATOM 5776 C CD1 . PHE D 1 88 ? 36.457 1.612 20.989 1.00 12.67 ? 88 PHE D CD1 1 ATOM 5777 C CD2 . PHE D 1 88 ? 35.446 2.662 22.886 1.00 13.40 ? 88 PHE D CD2 1 ATOM 5778 C CE1 . PHE D 1 88 ? 37.644 2.248 21.273 1.00 13.60 ? 88 PHE D CE1 1 ATOM 5779 C CE2 . PHE D 1 88 ? 36.642 3.292 23.175 1.00 14.29 ? 88 PHE D CE2 1 ATOM 5780 C CZ . PHE D 1 88 ? 37.742 3.074 22.374 1.00 13.90 ? 88 PHE D CZ 1 ATOM 5781 N N . PRO D 1 89 ? 35.797 -0.788 23.685 1.00 8.18 ? 89 PRO D N 1 ATOM 5782 C CA . PRO D 1 89 ? 36.710 -1.495 22.776 1.00 9.05 ? 89 PRO D CA 1 ATOM 5783 C C . PRO D 1 89 ? 36.275 -2.934 22.587 1.00 8.35 ? 89 PRO D C 1 ATOM 5784 O O . PRO D 1 89 ? 35.631 -3.531 23.452 1.00 9.37 ? 89 PRO D O 1 ATOM 5785 C CB . PRO D 1 89 ? 38.062 -1.490 23.527 1.00 11.24 ? 89 PRO D CB 1 ATOM 5786 C CG . PRO D 1 89 ? 37.862 -0.652 24.674 1.00 12.37 ? 89 PRO D CG 1 ATOM 5787 C CD . PRO D 1 89 ? 36.434 -0.550 24.989 1.00 10.47 ? 89 PRO D CD 1 ATOM 5788 N N . ALA D 1 90 ? 36.669 -3.511 21.464 1.00 8.01 ? 90 ALA D N 1 ATOM 5789 C CA . ALA D 1 90 ? 36.379 -4.919 21.198 1.00 8.17 ? 90 ALA D CA 1 ATOM 5790 C C . ALA D 1 90 ? 37.266 -5.426 20.089 1.00 7.62 ? 90 ALA D C 1 ATOM 5791 O O . ALA D 1 90 ? 37.528 -4.712 19.137 1.00 7.97 ? 90 ALA D O 1 ATOM 5792 C CB . ALA D 1 90 ? 34.930 -5.116 20.785 1.00 10.85 ? 90 ALA D CB 1 ATOM 5793 N N . PRO D 1 91 ? 37.698 -6.680 20.182 1.00 7.15 ? 91 PRO D N 1 ATOM 5794 C CA . PRO D 1 91 ? 38.346 -7.308 19.028 1.00 6.36 ? 91 PRO D CA 1 ATOM 5795 C C . PRO D 1 91 ? 37.430 -7.312 17.833 1.00 5.88 ? 91 PRO D C 1 ATOM 5796 O O . PRO D 1 91 ? 36.231 -7.436 17.992 1.00 7.88 ? 91 PRO D O 1 ATOM 5797 C CB . PRO D 1 91 ? 38.604 -8.736 19.506 1.00 8.45 ? 91 PRO D CB 1 ATOM 5798 C CG . PRO D 1 91 ? 38.638 -8.641 20.976 1.00 8.88 ? 91 PRO D CG 1 ATOM 5799 C CD . PRO D 1 91 ? 37.637 -7.596 21.328 1.00 7.80 ? 91 PRO D CD 1 ATOM 5800 N N . VAL D 1 92 ? 38.018 -7.227 16.644 1.00 4.70 ? 92 VAL D N 1 ATOM 5801 C CA . VAL D 1 92 ? 37.230 -7.264 15.422 1.00 5.41 ? 92 VAL D CA 1 ATOM 5802 C C . VAL D 1 92 ? 37.933 -8.126 14.388 1.00 5.25 ? 92 VAL D C 1 ATOM 5803 O O . VAL D 1 92 ? 39.154 -8.200 14.345 1.00 7.00 ? 92 VAL D O 1 ATOM 5804 C CB . VAL D 1 92 ? 36.996 -5.821 14.918 1.00 7.24 ? 92 VAL D CB 1 ATOM 5805 C CG1 . VAL D 1 92 ? 38.293 -5.177 14.463 1.00 8.32 ? 92 VAL D CG1 1 ATOM 5806 C CG2 . VAL D 1 92 ? 35.923 -5.766 13.827 1.00 8.57 ? 92 VAL D CG2 1 ATOM 5807 N N . HIS D 1 93 ? 37.137 -8.770 13.550 1.00 4.27 ? 93 HIS D N 1 ATOM 5808 C CA . HIS D 1 93 ? 37.624 -9.388 12.328 1.00 4.38 ? 93 HIS D CA 1 ATOM 5809 C C . HIS D 1 93 ? 37.091 -8.561 11.165 1.00 4.25 ? 93 HIS D C 1 ATOM 5810 O O . HIS D 1 93 ? 35.903 -8.288 11.089 1.00 5.42 ? 93 HIS D O 1 ATOM 5811 C CB . HIS D 1 93 ? 37.134 -10.828 12.204 1.00 5.17 ? 93 HIS D CB 1 ATOM 5812 C CG . HIS D 1 93 ? 37.697 -11.524 11.012 1.00 6.10 ? 93 HIS D CG 1 ATOM 5813 N ND1 . HIS D 1 93 ? 37.012 -11.655 9.825 1.00 6.84 ? 93 HIS D ND1 1 ATOM 5814 C CD2 . HIS D 1 93 ? 38.911 -12.097 10.823 1.00 6.59 ? 93 HIS D CD2 1 ATOM 5815 C CE1 . HIS D 1 93 ? 37.792 -12.266 8.954 1.00 6.92 ? 93 HIS D CE1 1 ATOM 5816 N NE2 . HIS D 1 93 ? 38.947 -12.539 9.531 1.00 7.45 ? 93 HIS D NE2 1 ATOM 5817 N N . ILE D 1 94 ? 38.000 -8.145 10.298 1.00 4.92 ? 94 ILE D N 1 ATOM 5818 C CA . ILE D 1 94 ? 37.682 -7.271 9.176 1.00 6.55 ? 94 ILE D CA 1 ATOM 5819 C C . ILE D 1 94 ? 38.066 -7.945 7.883 1.00 6.81 ? 94 ILE D C 1 ATOM 5820 O O . ILE D 1 94 ? 39.172 -8.436 7.741 1.00 7.93 ? 94 ILE D O 1 ATOM 5821 C CB . ILE D 1 94 ? 38.464 -5.943 9.277 1.00 8.86 ? 94 ILE D CB 1 ATOM 5822 C CG1 . ILE D 1 94 ? 38.098 -5.212 10.585 1.00 9.30 ? 94 ILE D CG1 1 ATOM 5823 C CG2 . ILE D 1 94 ? 38.194 -5.067 8.028 1.00 10.54 ? 94 ILE D CG2 1 ATOM 5824 C CD1 . ILE D 1 94 ? 39.091 -4.124 10.978 1.00 11.16 ? 94 ILE D CD1 1 ATOM 5825 N N A CYS D 1 95 ? 37.114 -8.062 6.959 0.53 5.54 ? 95 CYS D N 1 ATOM 5826 N N B CYS D 1 95 ? 37.146 -7.919 6.934 0.47 6.85 ? 95 CYS D N 1 ATOM 5827 C CA A CYS D 1 95 ? 37.435 -8.376 5.570 0.53 5.75 ? 95 CYS D CA 1 ATOM 5828 C CA B CYS D 1 95 ? 37.427 -8.381 5.599 0.47 7.73 ? 95 CYS D CA 1 ATOM 5829 C C A CYS D 1 95 ? 36.956 -7.228 4.701 0.53 5.07 ? 95 CYS D C 1 ATOM 5830 C C B CYS D 1 95 ? 36.882 -7.359 4.619 0.47 6.40 ? 95 CYS D C 1 ATOM 5831 O O A CYS D 1 95 ? 35.957 -6.579 4.972 0.53 5.01 ? 95 CYS D O 1 ATOM 5832 O O B CYS D 1 95 ? 35.752 -6.911 4.755 0.47 6.66 ? 95 CYS D O 1 ATOM 5833 C CB A CYS D 1 95 ? 36.782 -9.678 5.072 0.53 7.38 ? 95 CYS D CB 1 ATOM 5834 C CB B CYS D 1 95 ? 36.771 -9.735 5.394 0.47 10.48 ? 95 CYS D CB 1 ATOM 5835 S SG A CYS D 1 95 ? 37.426 -11.264 5.712 0.53 9.37 ? 95 CYS D SG 1 ATOM 5836 S SG B CYS D 1 95 ? 37.090 -10.464 3.827 0.47 12.69 ? 95 CYS D SG 1 ATOM 5837 N N . VAL D 1 96 ? 37.697 -6.981 3.640 1.00 5.38 ? 96 VAL D N 1 ATOM 5838 C CA . VAL D 1 96 ? 37.272 -6.048 2.619 1.00 5.55 ? 96 VAL D CA 1 ATOM 5839 C C . VAL D 1 96 ? 37.709 -6.580 1.270 1.00 5.62 ? 96 VAL D C 1 ATOM 5840 O O . VAL D 1 96 ? 38.821 -7.045 1.089 1.00 5.96 ? 96 VAL D O 1 ATOM 5841 C CB . VAL D 1 96 ? 37.782 -4.613 2.893 1.00 7.91 ? 96 VAL D CB 1 ATOM 5842 C CG1 . VAL D 1 96 ? 39.283 -4.550 2.883 1.00 9.27 ? 96 VAL D CG1 1 ATOM 5843 C CG2 . VAL D 1 96 ? 37.134 -3.618 1.929 1.00 8.69 ? 96 VAL D CG2 1 ATOM 5844 N N . SER D 1 97 ? 36.803 -6.489 0.320 1.00 6.15 ? 97 SER D N 1 ATOM 5845 C CA . SER D 1 97 ? 37.137 -6.842 -1.043 1.00 6.40 ? 97 SER D CA 1 ATOM 5846 C C . SER D 1 97 ? 36.749 -5.723 -1.969 1.00 5.67 ? 97 SER D C 1 ATOM 5847 O O . SER D 1 97 ? 35.888 -4.889 -1.670 1.00 5.95 ? 97 SER D O 1 ATOM 5848 C CB . SER D 1 97 ? 36.431 -8.141 -1.442 1.00 7.90 ? 97 SER D CB 1 ATOM 5849 O OG . SER D 1 97 ? 35.050 -7.881 -1.559 1.00 9.05 ? 97 SER D OG 1 ATOM 5850 N N . TRP D 1 98 ? 37.392 -5.720 -3.127 1.00 5.11 ? 98 TRP D N 1 ATOM 5851 C CA . TRP D 1 98 ? 37.068 -4.772 -4.172 1.00 5.15 ? 98 TRP D CA 1 ATOM 5852 C C . TRP D 1 98 ? 37.279 -5.435 -5.526 1.00 5.43 ? 98 TRP D C 1 ATOM 5853 O O . TRP D 1 98 ? 38.183 -6.238 -5.704 1.00 6.14 ? 98 TRP D O 1 ATOM 5854 C CB . TRP D 1 98 ? 37.954 -3.522 -4.023 1.00 6.21 ? 98 TRP D CB 1 ATOM 5855 C CG . TRP D 1 98 ? 37.759 -2.502 -5.087 1.00 6.86 ? 98 TRP D CG 1 ATOM 5856 C CD1 . TRP D 1 98 ? 36.759 -1.582 -5.178 1.00 6.80 ? 98 TRP D CD1 1 ATOM 5857 C CD2 . TRP D 1 98 ? 38.602 -2.300 -6.218 1.00 7.58 ? 98 TRP D CD2 1 ATOM 5858 N NE1 . TRP D 1 98 ? 36.923 -0.820 -6.305 1.00 7.63 ? 98 TRP D NE1 1 ATOM 5859 C CE2 . TRP D 1 98 ? 38.049 -1.237 -6.963 1.00 7.22 ? 98 TRP D CE2 1 ATOM 5860 C CE3 . TRP D 1 98 ? 39.771 -2.914 -6.673 1.00 8.82 ? 98 TRP D CE3 1 ATOM 5861 C CZ2 . TRP D 1 98 ? 38.623 -0.772 -8.132 1.00 8.91 ? 98 TRP D CZ2 1 ATOM 5862 C CZ3 . TRP D 1 98 ? 40.336 -2.449 -7.860 1.00 8.67 ? 98 TRP D CZ3 1 ATOM 5863 C CH2 . TRP D 1 98 ? 39.774 -1.374 -8.549 1.00 8.43 ? 98 TRP D CH2 1 ATOM 5864 N N . GLU D 1 99 ? 36.425 -5.057 -6.467 1.00 6.56 ? 99 GLU D N 1 ATOM 5865 C CA . GLU D 1 99 ? 36.379 -5.645 -7.801 1.00 8.06 ? 99 GLU D CA 1 ATOM 5866 C C . GLU D 1 99 ? 36.367 -4.504 -8.804 1.00 7.10 ? 99 GLU D C 1 ATOM 5867 O O . GLU D 1 99 ? 35.439 -3.719 -8.836 1.00 8.10 ? 99 GLU D O 1 ATOM 5868 C CB . GLU D 1 99 ? 35.093 -6.490 -7.914 1.00 10.31 ? 99 GLU D CB 1 ATOM 5869 C CG . GLU D 1 99 ? 34.853 -7.129 -9.232 1.00 13.39 ? 99 GLU D CG 1 ATOM 5870 C CD . GLU D 1 99 ? 33.530 -7.851 -9.217 1.00 15.18 ? 99 GLU D CD 1 ATOM 5871 O OE1 . GLU D 1 99 ? 32.462 -7.184 -9.149 1.00 14.78 ? 99 GLU D OE1 1 ATOM 5872 O OE2 . GLU D 1 99 ? 33.546 -9.089 -9.218 1.00 19.13 ? 99 GLU D OE2 1 ATOM 5873 N N . SER D 1 100 ? 37.397 -4.411 -9.645 1.00 7.09 ? 100 SER D N 1 ATOM 5874 C CA . SER D 1 100 ? 37.482 -3.321 -10.609 1.00 7.89 ? 100 SER D CA 1 ATOM 5875 C C . SER D 1 100 ? 36.295 -3.262 -11.568 1.00 7.80 ? 100 SER D C 1 ATOM 5876 O O . SER D 1 100 ? 35.789 -2.196 -11.892 1.00 8.88 ? 100 SER D O 1 ATOM 5877 C CB . SER D 1 100 ? 38.767 -3.448 -11.436 1.00 8.96 ? 100 SER D CB 1 ATOM 5878 O OG . SER D 1 100 ? 38.789 -2.437 -12.442 1.00 11.00 ? 100 SER D OG 1 ATOM 5879 N N . SER D 1 101 ? 35.869 -4.409 -12.064 1.00 7.61 ? 101 SER D N 1 ATOM 5880 C CA . SER D 1 101 ? 34.874 -4.402 -13.121 1.00 9.66 ? 101 SER D CA 1 ATOM 5881 C C . SER D 1 101 ? 33.569 -3.734 -12.722 1.00 9.68 ? 101 SER D C 1 ATOM 5882 O O . SER D 1 101 ? 32.930 -3.098 -13.542 1.00 11.08 ? 101 SER D O 1 ATOM 5883 C CB . SER D 1 101 ? 34.622 -5.816 -13.623 1.00 12.26 ? 101 SER D CB 1 ATOM 5884 O OG . SER D 1 101 ? 34.193 -6.677 -12.592 1.00 13.89 ? 101 SER D OG 1 ATOM 5885 N N . SER D 1 102 ? 33.170 -3.878 -11.461 1.00 8.41 ? 102 SER D N 1 ATOM 5886 C CA . SER D 1 102 ? 31.973 -3.233 -10.950 1.00 8.01 ? 102 SER D CA 1 ATOM 5887 C C . SER D 1 102 ? 32.259 -2.014 -10.065 1.00 7.21 ? 102 SER D C 1 ATOM 5888 O O . SER D 1 102 ? 31.362 -1.219 -9.801 1.00 7.96 ? 102 SER D O 1 ATOM 5889 C CB . SER D 1 102 ? 31.204 -4.221 -10.103 1.00 8.04 ? 102 SER D CB 1 ATOM 5890 O OG . SER D 1 102 ? 31.961 -4.593 -8.973 1.00 8.35 ? 102 SER D OG 1 ATOM 5891 N N . GLY D 1 103 ? 33.486 -1.910 -9.568 1.00 6.47 ? 103 GLY D N 1 ATOM 5892 C CA . GLY D 1 103 ? 33.856 -0.901 -8.580 1.00 6.29 ? 103 GLY D CA 1 ATOM 5893 C C . GLY D 1 103 ? 33.387 -1.231 -7.161 1.00 5.58 ? 103 GLY D C 1 ATOM 5894 O O . GLY D 1 103 ? 33.588 -0.459 -6.247 1.00 6.16 ? 103 GLY D O 1 ATOM 5895 N N . ILE D 1 104 ? 32.773 -2.386 -6.955 1.00 5.49 ? 104 ILE D N 1 ATOM 5896 C CA . ILE D 1 104 ? 32.122 -2.656 -5.680 1.00 5.37 ? 104 ILE D CA 1 ATOM 5897 C C . ILE D 1 104 ? 33.126 -3.041 -4.608 1.00 5.57 ? 104 ILE D C 1 ATOM 5898 O O . ILE D 1 104 ? 33.937 -3.954 -4.781 1.00 6.28 ? 104 ILE D O 1 ATOM 5899 C CB . ILE D 1 104 ? 31.073 -3.769 -5.817 1.00 6.47 ? 104 ILE D CB 1 ATOM 5900 C CG1 . ILE D 1 104 ? 29.919 -3.275 -6.701 1.00 8.89 ? 104 ILE D CG1 1 ATOM 5901 C CG2 . ILE D 1 104 ? 30.585 -4.219 -4.435 1.00 7.72 ? 104 ILE D CG2 1 ATOM 5902 C CD1 . ILE D 1 104 ? 29.170 -2.081 -6.167 1.00 10.53 ? 104 ILE D CD1 1 ATOM 5903 N N . ALA D 1 105 ? 33.011 -2.354 -3.474 1.00 5.30 ? 105 ALA D N 1 ATOM 5904 C CA . ALA D 1 105 ? 33.757 -2.661 -2.250 1.00 6.78 ? 105 ALA D CA 1 ATOM 5905 C C . ALA D 1 105 ? 32.810 -3.273 -1.235 1.00 6.23 ? 105 ALA D C 1 ATOM 5906 O O . ALA D 1 105 ? 31.747 -2.721 -0.984 1.00 7.64 ? 105 ALA D O 1 ATOM 5907 C CB . ALA D 1 105 ? 34.374 -1.401 -1.688 1.00 8.34 ? 105 ALA D CB 1 ATOM 5908 N N . GLU D 1 106 ? 33.219 -4.401 -0.659 1.00 6.00 ? 106 GLU D N 1 ATOM 5909 C CA . GLU D 1 106 ? 32.436 -5.110 0.351 1.00 6.84 ? 106 GLU D CA 1 ATOM 5910 C C . GLU D 1 106 ? 33.230 -5.217 1.638 1.00 6.76 ? 106 GLU D C 1 ATOM 5911 O O . GLU D 1 106 ? 34.245 -5.894 1.662 1.00 9.19 ? 106 GLU D O 1 ATOM 5912 C CB . GLU D 1 106 ? 32.206 -6.576 -0.063 1.00 10.39 ? 106 GLU D CB 1 ATOM 5913 C CG . GLU D 1 106 ? 31.424 -6.845 -1.260 1.00 14.34 ? 106 GLU D CG 1 ATOM 5914 C CD . GLU D 1 106 ? 31.081 -8.338 -1.413 1.00 17.09 ? 106 GLU D CD 1 ATOM 5915 O OE1 . GLU D 1 106 ? 31.325 -9.163 -0.473 1.00 16.61 ? 106 GLU D OE1 1 ATOM 5916 O OE2 . GLU D 1 106 ? 30.563 -8.681 -2.492 1.00 18.84 ? 106 GLU D OE2 1 ATOM 5917 N N . PHE D 1 107 ? 32.752 -4.594 2.702 1.00 5.90 ? 107 PHE D N 1 ATOM 5918 C CA . PHE D 1 107 ? 33.284 -4.809 4.043 1.00 5.40 ? 107 PHE D CA 1 ATOM 5919 C C . PHE D 1 107 ? 32.458 -5.880 4.749 1.00 5.30 ? 107 PHE D C 1 ATOM 5920 O O . PHE D 1 107 ? 31.235 -5.888 4.678 1.00 5.59 ? 107 PHE D O 1 ATOM 5921 C CB . PHE D 1 107 ? 33.222 -3.531 4.884 1.00 6.63 ? 107 PHE D CB 1 ATOM 5922 C CG . PHE D 1 107 ? 34.443 -2.617 4.768 1.00 7.86 ? 107 PHE D CG 1 ATOM 5923 C CD1 . PHE D 1 107 ? 35.625 -2.923 5.424 1.00 8.11 ? 107 PHE D CD1 1 ATOM 5924 C CD2 . PHE D 1 107 ? 34.373 -1.434 4.054 1.00 8.28 ? 107 PHE D CD2 1 ATOM 5925 C CE1 . PHE D 1 107 ? 36.727 -2.086 5.326 1.00 8.04 ? 107 PHE D CE1 1 ATOM 5926 C CE2 . PHE D 1 107 ? 35.463 -0.582 3.971 1.00 8.71 ? 107 PHE D CE2 1 ATOM 5927 C CZ . PHE D 1 107 ? 36.626 -0.896 4.597 1.00 9.05 ? 107 PHE D CZ 1 ATOM 5928 N N . TRP D 1 108 ? 33.143 -6.743 5.478 1.00 4.50 ? 108 TRP D N 1 ATOM 5929 C CA . TRP D 1 108 ? 32.523 -7.702 6.396 1.00 4.99 ? 108 TRP D CA 1 ATOM 5930 C C . TRP D 1 108 ? 33.189 -7.520 7.752 1.00 4.85 ? 108 TRP D C 1 ATOM 5931 O O . TRP D 1 108 ? 34.401 -7.579 7.860 1.00 6.67 ? 108 TRP D O 1 ATOM 5932 C CB . TRP D 1 108 ? 32.762 -9.137 5.920 1.00 6.63 ? 108 TRP D CB 1 ATOM 5933 C CG . TRP D 1 108 ? 32.101 -9.476 4.635 1.00 9.34 ? 108 TRP D CG 1 ATOM 5934 C CD1 . TRP D 1 108 ? 32.449 -9.024 3.396 1.00 11.22 ? 108 TRP D CD1 1 ATOM 5935 C CD2 . TRP D 1 108 ? 30.995 -10.357 4.447 1.00 9.86 ? 108 TRP D CD2 1 ATOM 5936 N NE1 . TRP D 1 108 ? 31.608 -9.545 2.450 1.00 11.95 ? 108 TRP D NE1 1 ATOM 5937 C CE2 . TRP D 1 108 ? 30.709 -10.371 3.061 1.00 10.60 ? 108 TRP D CE2 1 ATOM 5938 C CE3 . TRP D 1 108 ? 30.201 -11.122 5.310 1.00 10.15 ? 108 TRP D CE3 1 ATOM 5939 C CZ2 . TRP D 1 108 ? 29.679 -11.140 2.516 1.00 11.22 ? 108 TRP D CZ2 1 ATOM 5940 C CZ3 . TRP D 1 108 ? 29.169 -11.879 4.765 1.00 11.53 ? 108 TRP D CZ3 1 ATOM 5941 C CH2 . TRP D 1 108 ? 28.916 -11.872 3.394 1.00 11.58 ? 108 TRP D CH2 1 ATOM 5942 N N . ILE D 1 109 ? 32.384 -7.307 8.778 1.00 4.20 ? 109 ILE D N 1 ATOM 5943 C CA . ILE D 1 109 ? 32.879 -7.071 10.127 1.00 5.87 ? 109 ILE D CA 1 ATOM 5944 C C . ILE D 1 109 ? 32.333 -8.178 11.011 1.00 7.13 ? 109 ILE D C 1 ATOM 5945 O O . ILE D 1 109 ? 31.128 -8.347 11.144 1.00 7.46 ? 109 ILE D O 1 ATOM 5946 C CB . ILE D 1 109 ? 32.412 -5.687 10.637 1.00 7.59 ? 109 ILE D CB 1 ATOM 5947 C CG1 . ILE D 1 109 ? 32.889 -4.549 9.712 1.00 9.17 ? 109 ILE D CG1 1 ATOM 5948 C CG2 . ILE D 1 109 ? 32.844 -5.474 12.091 1.00 9.27 ? 109 ILE D CG2 1 ATOM 5949 C CD1 . ILE D 1 109 ? 34.415 -4.373 9.575 1.00 9.87 ? 109 ILE D CD1 1 ATOM 5950 N N . ASN D 1 110 ? 33.233 -8.950 11.616 1.00 6.43 ? 110 ASN D N 1 ATOM 5951 C CA . ASN D 1 110 ? 32.837 -10.118 12.412 1.00 8.77 ? 110 ASN D CA 1 ATOM 5952 C C . ASN D 1 110 ? 31.860 -11.010 11.679 1.00 10.17 ? 110 ASN D C 1 ATOM 5953 O O . ASN D 1 110 ? 30.874 -11.484 12.261 1.00 11.50 ? 110 ASN D O 1 ATOM 5954 C CB . ASN D 1 110 ? 32.261 -9.691 13.767 1.00 10.41 ? 110 ASN D CB 1 ATOM 5955 C CG . ASN D 1 110 ? 33.252 -8.904 14.569 1.00 11.90 ? 110 ASN D CG 1 ATOM 5956 O OD1 . ASN D 1 110 ? 34.457 -9.181 14.531 1.00 10.65 ? 110 ASN D OD1 1 ATOM 5957 N ND2 . ASN D 1 110 ? 32.769 -7.899 15.285 1.00 14.21 ? 110 ASN D ND2 1 ATOM 5958 N N . GLY D 1 111 ? 32.139 -11.238 10.400 1.00 9.77 ? 111 GLY D N 1 ATOM 5959 C CA . GLY D 1 111 ? 31.327 -12.130 9.590 1.00 11.63 ? 111 GLY D CA 1 ATOM 5960 C C . GLY D 1 111 ? 30.008 -11.561 9.102 1.00 12.71 ? 111 GLY D C 1 ATOM 5961 O O . GLY D 1 111 ? 29.219 -12.286 8.477 1.00 14.57 ? 111 GLY D O 1 ATOM 5962 N N . THR D 1 112 ? 29.756 -10.289 9.375 1.00 11.21 ? 112 THR D N 1 ATOM 5963 C CA . THR D 1 112 ? 28.528 -9.663 8.921 1.00 11.82 ? 112 THR D CA 1 ATOM 5964 C C . THR D 1 112 ? 28.814 -8.617 7.838 1.00 7.91 ? 112 THR D C 1 ATOM 5965 O O . THR D 1 112 ? 29.702 -7.779 7.965 1.00 7.61 ? 112 THR D O 1 ATOM 5966 C CB . THR D 1 112 ? 27.755 -9.032 10.078 1.00 15.52 ? 112 THR D CB 1 ATOM 5967 O OG1 . THR D 1 112 ? 28.459 -7.895 10.555 1.00 17.98 ? 112 THR D OG1 1 ATOM 5968 C CG2 . THR D 1 112 ? 27.573 -10.008 11.219 1.00 16.70 ? 112 THR D CG2 1 ATOM 5969 N N . PRO D 1 113 ? 28.043 -8.652 6.758 1.00 5.93 ? 113 PRO D N 1 ATOM 5970 C CA . PRO D 1 113 ? 28.288 -7.744 5.644 1.00 5.51 ? 113 PRO D CA 1 ATOM 5971 C C . PRO D 1 113 ? 27.780 -6.344 5.915 1.00 5.28 ? 113 PRO D C 1 ATOM 5972 O O . PRO D 1 113 ? 26.663 -6.173 6.396 1.00 6.28 ? 113 PRO D O 1 ATOM 5973 C CB . PRO D 1 113 ? 27.495 -8.377 4.497 1.00 5.74 ? 113 PRO D CB 1 ATOM 5974 C CG . PRO D 1 113 ? 26.392 -9.116 5.164 1.00 6.99 ? 113 PRO D CG 1 ATOM 5975 C CD . PRO D 1 113 ? 26.965 -9.614 6.460 1.00 6.30 ? 113 PRO D CD 1 ATOM 5976 N N . LEU D 1 114 ? 28.605 -5.352 5.613 1.00 4.85 ? 114 LEU D N 1 ATOM 5977 C CA . LEU D 1 114 ? 28.185 -3.955 5.605 1.00 4.88 ? 114 LEU D CA 1 ATOM 5978 C C . LEU D 1 114 ? 27.510 -3.627 4.268 1.00 4.53 ? 114 LEU D C 1 ATOM 5979 O O . LEU D 1 114 ? 27.537 -4.416 3.325 1.00 5.55 ? 114 LEU D O 1 ATOM 5980 C CB . LEU D 1 114 ? 29.362 -3.016 5.863 1.00 6.41 ? 114 LEU D CB 1 ATOM 5981 C CG . LEU D 1 114 ? 30.190 -3.298 7.112 1.00 8.55 ? 114 LEU D CG 1 ATOM 5982 C CD1 . LEU D 1 114 ? 31.037 -2.080 7.475 1.00 7.82 ? 114 LEU D CD1 1 ATOM 5983 C CD2 . LEU D 1 114 ? 29.366 -3.759 8.279 1.00 9.90 ? 114 LEU D CD2 1 ATOM 5984 N N . VAL D 1 115 ? 26.926 -2.445 4.180 1.00 4.45 ? 115 VAL D N 1 ATOM 5985 C CA . VAL D 1 115 ? 26.360 -1.996 2.919 1.00 4.33 ? 115 VAL D CA 1 ATOM 5986 C C . VAL D 1 115 ? 27.474 -1.854 1.877 1.00 4.78 ? 115 VAL D C 1 ATOM 5987 O O . VAL D 1 115 ? 28.495 -1.221 2.137 1.00 5.81 ? 115 VAL D O 1 ATOM 5988 C CB . VAL D 1 115 ? 25.624 -0.650 3.082 1.00 4.49 ? 115 VAL D CB 1 ATOM 5989 C CG1 . VAL D 1 115 ? 25.030 -0.187 1.783 1.00 5.28 ? 115 VAL D CG1 1 ATOM 5990 C CG2 . VAL D 1 115 ? 24.508 -0.742 4.148 1.00 5.57 ? 115 VAL D CG2 1 ATOM 5991 N N . LYS D 1 116 ? 27.261 -2.428 0.694 1.00 5.15 ? 116 LYS D N 1 ATOM 5992 C CA . LYS D 1 116 ? 28.208 -2.263 -0.414 1.00 6.24 ? 116 LYS D CA 1 ATOM 5993 C C . LYS D 1 116 ? 28.267 -0.814 -0.897 1.00 7.16 ? 116 LYS D C 1 ATOM 5994 O O . LYS D 1 116 ? 27.255 -0.099 -0.920 1.00 7.93 ? 116 LYS D O 1 ATOM 5995 C CB . LYS D 1 116 ? 27.796 -3.168 -1.586 1.00 7.09 ? 116 LYS D CB 1 ATOM 5996 C CG . LYS D 1 116 ? 28.074 -4.652 -1.395 1.00 9.80 ? 116 LYS D CG 1 ATOM 5997 C CD . LYS D 1 116 ? 27.433 -5.448 -2.561 1.00 12.75 ? 116 LYS D CD 1 ATOM 5998 C CE . LYS D 1 116 ? 27.803 -6.912 -2.633 1.00 15.25 ? 116 LYS D CE 1 ATOM 5999 N NZ . LYS D 1 116 ? 27.327 -7.682 -1.466 1.00 14.12 ? 116 LYS D NZ 1 ATOM 6000 N N . LYS D 1 117 ? 29.471 -0.383 -1.264 1.00 6.17 ? 117 LYS D N 1 ATOM 6001 C CA . LYS D 1 117 ? 29.704 0.918 -1.867 1.00 6.79 ? 117 LYS D CA 1 ATOM 6002 C C . LYS D 1 117 ? 30.529 0.690 -3.124 1.00 7.38 ? 117 LYS D C 1 ATOM 6003 O O . LYS D 1 117 ? 30.998 -0.419 -3.364 1.00 9.32 ? 117 LYS D O 1 ATOM 6004 C CB . LYS D 1 117 ? 30.447 1.835 -0.892 1.00 7.32 ? 117 LYS D CB 1 ATOM 6005 C CG . LYS D 1 117 ? 29.685 2.109 0.409 1.00 8.25 ? 117 LYS D CG 1 ATOM 6006 C CD . LYS D 1 117 ? 28.365 2.869 0.213 1.00 8.97 ? 117 LYS D CD 1 ATOM 6007 C CE . LYS D 1 117 ? 27.439 2.789 1.453 1.00 9.21 ? 117 LYS D CE 1 ATOM 6008 N NZ . LYS D 1 117 ? 27.999 3.453 2.629 1.00 9.95 ? 117 LYS D NZ 1 ATOM 6009 N N . GLY D 1 118 ? 30.676 1.710 -3.950 1.00 5.91 ? 118 GLY D N 1 ATOM 6010 C CA . GLY D 1 118 ? 31.399 1.562 -5.202 1.00 6.17 ? 118 GLY D CA 1 ATOM 6011 C C . GLY D 1 118 ? 32.306 2.736 -5.497 1.00 7.02 ? 118 GLY D C 1 ATOM 6012 O O . GLY D 1 118 ? 31.959 3.893 -5.255 1.00 8.59 ? 118 GLY D O 1 ATOM 6013 N N . LEU D 1 119 ? 33.472 2.416 -6.058 1.00 6.45 ? 119 LEU D N 1 ATOM 6014 C CA . LEU D 1 119 ? 34.455 3.420 -6.429 1.00 6.67 ? 119 LEU D CA 1 ATOM 6015 C C . LEU D 1 119 ? 35.424 2.852 -7.447 1.00 7.35 ? 119 LEU D C 1 ATOM 6016 O O . LEU D 1 119 ? 35.656 1.643 -7.495 1.00 6.92 ? 119 LEU D O 1 ATOM 6017 C CB . LEU D 1 119 ? 35.244 3.906 -5.213 1.00 6.66 ? 119 LEU D CB 1 ATOM 6018 C CG . LEU D 1 119 ? 36.286 2.961 -4.612 1.00 6.56 ? 119 LEU D CG 1 ATOM 6019 C CD1 . LEU D 1 119 ? 37.079 3.732 -3.571 1.00 7.69 ? 119 LEU D CD1 1 ATOM 6020 C CD2 . LEU D 1 119 ? 35.650 1.742 -3.976 1.00 5.99 ? 119 LEU D CD2 1 ATOM 6021 N N . ARG D 1 120 ? 35.988 3.743 -8.267 1.00 6.74 ? 120 ARG D N 1 ATOM 6022 C CA . ARG D 1 120 ? 37.079 3.377 -9.177 1.00 7.31 ? 120 ARG D CA 1 ATOM 6023 C C . ARG D 1 120 ? 36.754 2.219 -10.122 1.00 7.91 ? 120 ARG D C 1 ATOM 6024 O O . ARG D 1 120 ? 37.624 1.412 -10.469 1.00 8.23 ? 120 ARG D O 1 ATOM 6025 C CB . ARG D 1 120 ? 38.354 3.088 -8.360 1.00 8.25 ? 120 ARG D CB 1 ATOM 6026 C CG . ARG D 1 120 ? 38.980 4.364 -7.836 1.00 9.24 ? 120 ARG D CG 1 ATOM 6027 C CD . ARG D 1 120 ? 39.552 5.159 -8.967 1.00 11.03 ? 120 ARG D CD 1 ATOM 6028 N NE . ARG D 1 120 ? 40.654 6.004 -8.546 1.00 12.17 ? 120 ARG D NE 1 ATOM 6029 C CZ . ARG D 1 120 ? 41.342 6.753 -9.393 1.00 13.63 ? 120 ARG D CZ 1 ATOM 6030 N NH1 . ARG D 1 120 ? 41.007 6.765 -10.680 1.00 14.84 ? 120 ARG D NH1 1 ATOM 6031 N NH2 . ARG D 1 120 ? 42.332 7.492 -8.946 1.00 14.40 ? 120 ARG D NH2 1 ATOM 6032 N N . GLN D 1 121 ? 35.512 2.162 -10.596 1.00 8.06 ? 121 GLN D N 1 ATOM 6033 C CA . GLN D 1 121 ? 35.164 1.149 -11.576 1.00 8.16 ? 121 GLN D CA 1 ATOM 6034 C C . GLN D 1 121 ? 36.105 1.283 -12.788 1.00 9.42 ? 121 GLN D C 1 ATOM 6035 O O . GLN D 1 121 ? 36.295 2.369 -13.327 1.00 10.58 ? 121 GLN D O 1 ATOM 6036 C CB . GLN D 1 121 ? 33.713 1.292 -11.999 1.00 8.74 ? 121 GLN D CB 1 ATOM 6037 C CG . GLN D 1 121 ? 33.270 0.248 -12.994 1.00 9.96 ? 121 GLN D CG 1 ATOM 6038 C CD . GLN D 1 121 ? 31.797 0.368 -13.365 1.00 11.78 ? 121 GLN D CD 1 ATOM 6039 O OE1 . GLN D 1 121 ? 31.229 1.458 -13.363 1.00 14.29 ? 121 GLN D OE1 1 ATOM 6040 N NE2 . GLN D 1 121 ? 31.187 -0.747 -13.706 1.00 11.37 ? 121 GLN D NE2 1 ATOM 6041 N N . GLY D 1 122 ? 36.708 0.169 -13.173 1.00 9.00 ? 122 GLY D N 1 ATOM 6042 C CA . GLY D 1 122 ? 37.596 0.107 -14.324 1.00 10.12 ? 122 GLY D CA 1 ATOM 6043 C C . GLY D 1 122 ? 39.068 0.329 -14.027 1.00 10.65 ? 122 GLY D C 1 ATOM 6044 O O . GLY D 1 122 ? 39.923 0.114 -14.896 1.00 12.34 ? 122 GLY D O 1 ATOM 6045 N N . TYR D 1 123 ? 39.368 0.777 -12.814 1.00 9.85 ? 123 TYR D N 1 ATOM 6046 C CA . TYR D 1 123 ? 40.724 1.117 -12.382 1.00 10.53 ? 123 TYR D CA 1 ATOM 6047 C C . TYR D 1 123 ? 41.518 -0.146 -12.042 1.00 10.86 ? 123 TYR D C 1 ATOM 6048 O O . TYR D 1 123 ? 40.944 -1.158 -11.645 1.00 11.10 ? 123 TYR D O 1 ATOM 6049 C CB . TYR D 1 123 ? 40.606 1.983 -11.126 1.00 11.38 ? 123 TYR D CB 1 ATOM 6050 C CG . TYR D 1 123 ? 41.899 2.555 -10.592 1.00 11.68 ? 123 TYR D CG 1 ATOM 6051 C CD1 . TYR D 1 123 ? 42.560 3.585 -11.262 1.00 13.24 ? 123 TYR D CD1 1 ATOM 6052 C CD2 . TYR D 1 123 ? 42.466 2.064 -9.416 1.00 11.59 ? 123 TYR D CD2 1 ATOM 6053 C CE1 . TYR D 1 123 ? 43.742 4.105 -10.774 1.00 13.88 ? 123 TYR D CE1 1 ATOM 6054 C CE2 . TYR D 1 123 ? 43.642 2.575 -8.919 1.00 13.13 ? 123 TYR D CE2 1 ATOM 6055 C CZ . TYR D 1 123 ? 44.281 3.597 -9.592 1.00 14.97 ? 123 TYR D CZ 1 ATOM 6056 O OH . TYR D 1 123 ? 45.464 4.114 -9.106 1.00 17.32 ? 123 TYR D OH 1 ATOM 6057 N N . PHE D 1 124 ? 42.836 -0.091 -12.191 1.00 11.65 ? 124 PHE D N 1 ATOM 6058 C CA . PHE D 1 124 ? 43.688 -1.163 -11.679 1.00 13.48 ? 124 PHE D CA 1 ATOM 6059 C C . PHE D 1 124 ? 44.578 -0.602 -10.586 1.00 12.36 ? 124 PHE D C 1 ATOM 6060 O O . PHE D 1 124 ? 45.244 0.421 -10.770 1.00 12.85 ? 124 PHE D O 1 ATOM 6061 C CB . PHE D 1 124 ? 44.570 -1.760 -12.786 1.00 17.95 ? 124 PHE D CB 1 ATOM 6062 C CG . PHE D 1 124 ? 43.798 -2.463 -13.883 1.00 23.14 ? 124 PHE D CG 1 ATOM 6063 C CD1 . PHE D 1 124 ? 42.466 -2.820 -13.709 1.00 25.95 ? 124 PHE D CD1 1 ATOM 6064 C CD2 . PHE D 1 124 ? 44.416 -2.772 -15.080 1.00 25.97 ? 124 PHE D CD2 1 ATOM 6065 C CE1 . PHE D 1 124 ? 41.761 -3.456 -14.713 1.00 27.38 ? 124 PHE D CE1 1 ATOM 6066 C CE2 . PHE D 1 124 ? 43.718 -3.413 -16.090 1.00 27.44 ? 124 PHE D CE2 1 ATOM 6067 C CZ . PHE D 1 124 ? 42.391 -3.756 -15.901 1.00 27.87 ? 124 PHE D CZ 1 ATOM 6068 N N . VAL D 1 125 ? 44.592 -1.271 -9.438 1.00 11.64 ? 125 VAL D N 1 ATOM 6069 C CA . VAL D 1 125 ? 45.473 -0.889 -8.348 1.00 10.70 ? 125 VAL D CA 1 ATOM 6070 C C . VAL D 1 125 ? 46.918 -1.149 -8.762 1.00 11.19 ? 125 VAL D C 1 ATOM 6071 O O . VAL D 1 125 ? 47.258 -2.226 -9.195 1.00 11.92 ? 125 VAL D O 1 ATOM 6072 C CB . VAL D 1 125 ? 45.103 -1.651 -7.051 1.00 11.00 ? 125 VAL D CB 1 ATOM 6073 C CG1 . VAL D 1 125 ? 46.168 -1.486 -5.976 1.00 11.12 ? 125 VAL D CG1 1 ATOM 6074 C CG2 . VAL D 1 125 ? 43.755 -1.175 -6.513 1.00 12.78 ? 125 VAL D CG2 1 ATOM 6075 N N . GLU D 1 126 ? 47.774 -0.145 -8.626 1.00 10.66 ? 126 GLU D N 1 ATOM 6076 C CA . GLU D 1 126 ? 49.143 -0.267 -9.110 1.00 13.45 ? 126 GLU D CA 1 ATOM 6077 C C . GLU D 1 126 ? 49.957 -1.315 -8.352 1.00 12.70 ? 126 GLU D C 1 ATOM 6078 O O . GLU D 1 126 ? 49.718 -1.592 -7.180 1.00 12.05 ? 126 GLU D O 1 ATOM 6079 C CB . GLU D 1 126 ? 49.846 1.088 -9.033 1.00 17.65 ? 126 GLU D CB 1 ATOM 6080 C CG . GLU D 1 126 ? 49.185 2.161 -9.886 1.00 23.44 ? 126 GLU D CG 1 ATOM 6081 C CD . GLU D 1 126 ? 49.671 2.183 -11.319 1.00 29.06 ? 126 GLU D CD 1 ATOM 6082 O OE1 . GLU D 1 126 ? 50.745 1.603 -11.614 1.00 30.83 ? 126 GLU D OE1 1 ATOM 6083 O OE2 . GLU D 1 126 ? 48.968 2.799 -12.158 1.00 31.55 ? 126 GLU D OE2 1 ATOM 6084 N N . ALA D 1 127 ? 50.929 -1.889 -9.049 1.00 15.22 ? 127 ALA D N 1 ATOM 6085 C CA . ALA D 1 127 ? 51.808 -2.903 -8.479 1.00 16.78 ? 127 ALA D CA 1 ATOM 6086 C C . ALA D 1 127 ? 53.060 -2.301 -7.848 1.00 15.19 ? 127 ALA D C 1 ATOM 6087 O O . ALA D 1 127 ? 53.213 -1.083 -7.753 1.00 15.10 ? 127 ALA D O 1 ATOM 6088 C CB . ALA D 1 127 ? 52.201 -3.909 -9.549 1.00 19.05 ? 127 ALA D CB 1 ATOM 6089 N N . GLN D 1 128 ? 53.949 -3.188 -7.407 1.00 14.51 ? 128 GLN D N 1 ATOM 6090 C CA . GLN D 1 128 ? 55.181 -2.808 -6.722 1.00 14.14 ? 128 GLN D CA 1 ATOM 6091 C C . GLN D 1 128 ? 54.900 -1.902 -5.528 1.00 12.12 ? 128 GLN D C 1 ATOM 6092 O O . GLN D 1 128 ? 55.435 -0.807 -5.411 1.00 12.35 ? 128 GLN D O 1 ATOM 6093 C CB . GLN D 1 128 ? 56.163 -2.155 -7.691 1.00 17.42 ? 128 GLN D CB 1 ATOM 6094 C CG . GLN D 1 128 ? 56.701 -3.153 -8.712 1.00 22.14 ? 128 GLN D CG 1 ATOM 6095 C CD . GLN D 1 128 ? 57.844 -2.622 -9.556 1.00 27.45 ? 128 GLN D CD 1 ATOM 6096 O OE1 . GLN D 1 128 ? 58.207 -1.440 -9.493 1.00 29.66 ? 128 GLN D OE1 1 ATOM 6097 N NE2 . GLN D 1 128 ? 58.423 -3.503 -10.356 1.00 29.42 ? 128 GLN D NE2 1 ATOM 6098 N N . PRO D 1 129 ? 54.047 -2.371 -4.622 1.00 10.70 ? 129 PRO D N 1 ATOM 6099 C CA . PRO D 1 129 ? 53.716 -1.540 -3.466 1.00 9.81 ? 129 PRO D CA 1 ATOM 6100 C C . PRO D 1 129 ? 54.737 -1.593 -2.343 1.00 9.28 ? 129 PRO D C 1 ATOM 6101 O O . PRO D 1 129 ? 55.552 -2.525 -2.253 1.00 11.65 ? 129 PRO D O 1 ATOM 6102 C CB . PRO D 1 129 ? 52.429 -2.187 -2.962 1.00 10.72 ? 129 PRO D CB 1 ATOM 6103 C CG . PRO D 1 129 ? 52.646 -3.639 -3.237 1.00 10.72 ? 129 PRO D CG 1 ATOM 6104 C CD . PRO D 1 129 ? 53.352 -3.671 -4.570 1.00 11.26 ? 129 PRO D CD 1 ATOM 6105 N N . LYS D 1 130 ? 54.684 -0.571 -1.493 1.00 8.48 ? 130 LYS D N 1 ATOM 6106 C CA . LYS D 1 130 ? 55.139 -0.678 -0.120 1.00 8.28 ? 130 LYS D CA 1 ATOM 6107 C C . LYS D 1 130 ? 53.891 -0.822 0.726 1.00 6.27 ? 130 LYS D C 1 ATOM 6108 O O . LYS D 1 130 ? 52.946 -0.045 0.595 1.00 6.84 ? 130 LYS D O 1 ATOM 6109 C CB . LYS D 1 130 ? 55.919 0.553 0.301 1.00 11.37 ? 130 LYS D CB 1 ATOM 6110 C CG . LYS D 1 130 ? 57.207 0.739 -0.453 1.00 16.12 ? 130 LYS D CG 1 ATOM 6111 C CD . LYS D 1 130 ? 58.265 -0.195 0.010 1.00 19.69 ? 130 LYS D CD 1 ATOM 6112 C CE . LYS D 1 130 ? 59.612 0.199 -0.618 1.00 22.42 ? 130 LYS D CE 1 ATOM 6113 N NZ . LYS D 1 130 ? 60.708 -0.587 -0.025 1.00 24.52 ? 130 LYS D NZ 1 ATOM 6114 N N . ILE D 1 131 ? 53.895 -1.844 1.582 1.00 6.44 ? 131 ILE D N 1 ATOM 6115 C CA . ILE D 1 131 ? 52.766 -2.192 2.440 1.00 5.91 ? 131 ILE D CA 1 ATOM 6116 C C . ILE D 1 131 ? 53.226 -2.077 3.869 1.00 6.26 ? 131 ILE D C 1 ATOM 6117 O O . ILE D 1 131 ? 54.186 -2.729 4.278 1.00 6.75 ? 131 ILE D O 1 ATOM 6118 C CB . ILE D 1 131 ? 52.255 -3.629 2.172 1.00 7.36 ? 131 ILE D CB 1 ATOM 6119 C CG1 . ILE D 1 131 ? 51.847 -3.754 0.695 1.00 8.65 ? 131 ILE D CG1 1 ATOM 6120 C CG2 . ILE D 1 131 ? 51.082 -3.949 3.093 1.00 7.93 ? 131 ILE D CG2 1 ATOM 6121 C CD1 . ILE D 1 131 ? 51.412 -5.165 0.290 1.00 11.27 ? 131 ILE D CD1 1 ATOM 6122 N N . VAL D 1 132 ? 52.482 -1.292 4.642 1.00 5.81 ? 132 VAL D N 1 ATOM 6123 C CA . VAL D 1 132 ? 52.856 -0.989 6.007 1.00 6.40 ? 132 VAL D CA 1 ATOM 6124 C C . VAL D 1 132 ? 51.691 -1.212 6.960 1.00 6.41 ? 132 VAL D C 1 ATOM 6125 O O . VAL D 1 132 ? 50.564 -0.786 6.705 1.00 7.40 ? 132 VAL D O 1 ATOM 6126 C CB . VAL D 1 132 ? 53.364 0.471 6.139 1.00 6.42 ? 132 VAL D CB 1 ATOM 6127 C CG1 . VAL D 1 132 ? 53.611 0.832 7.599 1.00 7.71 ? 132 VAL D CG1 1 ATOM 6128 C CG2 . VAL D 1 132 ? 54.615 0.651 5.307 1.00 6.98 ? 132 VAL D CG2 1 ATOM 6129 N N . LEU D 1 133 ? 52.006 -1.889 8.065 1.00 6.17 ? 133 LEU D N 1 ATOM 6130 C CA . LEU D 1 133 ? 51.128 -1.963 9.241 1.00 6.14 ? 133 LEU D CA 1 ATOM 6131 C C . LEU D 1 133 ? 51.699 -1.065 10.318 1.00 5.90 ? 133 LEU D C 1 ATOM 6132 O O . LEU D 1 133 ? 52.921 -0.986 10.492 1.00 6.64 ? 133 LEU D O 1 ATOM 6133 C CB . LEU D 1 133 ? 51.052 -3.390 9.795 1.00 6.69 ? 133 LEU D CB 1 ATOM 6134 C CG . LEU D 1 133 ? 50.616 -4.497 8.859 1.00 7.26 ? 133 LEU D CG 1 ATOM 6135 C CD1 . LEU D 1 133 ? 50.626 -5.801 9.636 1.00 8.55 ? 133 LEU D CD1 1 ATOM 6136 C CD2 . LEU D 1 133 ? 49.268 -4.241 8.255 1.00 9.50 ? 133 LEU D CD2 1 ATOM 6137 N N . GLY D 1 134 ? 50.809 -0.403 11.058 1.00 5.98 ? 134 GLY D N 1 ATOM 6138 C CA . GLY D 1 134 ? 51.238 0.391 12.192 1.00 6.01 ? 134 GLY D CA 1 ATOM 6139 C C . GLY D 1 134 ? 51.290 1.877 11.955 1.00 6.50 ? 134 GLY D C 1 ATOM 6140 O O . GLY D 1 134 ? 51.209 2.662 12.896 1.00 7.16 ? 134 GLY D O 1 ATOM 6141 N N . GLN D 1 135 ? 51.482 2.265 10.697 1.00 6.93 ? 135 GLN D N 1 ATOM 6142 C CA . GLN D 1 135 ? 51.536 3.663 10.323 1.00 6.47 ? 135 GLN D CA 1 ATOM 6143 C C . GLN D 1 135 ? 50.838 3.821 8.980 1.00 5.90 ? 135 GLN D C 1 ATOM 6144 O O . GLN D 1 135 ? 50.676 2.868 8.231 1.00 6.48 ? 135 GLN D O 1 ATOM 6145 C CB . GLN D 1 135 ? 52.992 4.137 10.175 1.00 7.11 ? 135 GLN D CB 1 ATOM 6146 C CG . GLN D 1 135 ? 53.831 3.947 11.408 1.00 7.80 ? 135 GLN D CG 1 ATOM 6147 C CD . GLN D 1 135 ? 53.515 4.920 12.516 1.00 8.28 ? 135 GLN D CD 1 ATOM 6148 O OE1 . GLN D 1 135 ? 52.919 5.978 12.304 1.00 8.74 ? 135 GLN D OE1 1 ATOM 6149 N NE2 . GLN D 1 135 ? 53.877 4.549 13.731 1.00 7.65 ? 135 GLN D NE2 1 ATOM 6150 N N . GLU D 1 136 ? 50.436 5.047 8.703 1.00 6.17 ? 136 GLU D N 1 ATOM 6151 C CA . GLU D 1 136 ? 49.838 5.447 7.438 1.00 6.00 ? 136 GLU D CA 1 ATOM 6152 C C . GLU D 1 136 ? 50.915 6.115 6.603 1.00 5.98 ? 136 GLU D C 1 ATOM 6153 O O . GLU D 1 136 ? 51.536 7.074 7.049 1.00 6.97 ? 136 GLU D O 1 ATOM 6154 C CB . GLU D 1 136 ? 48.682 6.423 7.733 1.00 7.17 ? 136 GLU D CB 1 ATOM 6155 C CG . GLU D 1 136 ? 47.587 6.488 6.662 1.00 8.12 ? 136 GLU D CG 1 ATOM 6156 C CD . GLU D 1 136 ? 48.005 7.207 5.406 1.00 8.12 ? 136 GLU D CD 1 ATOM 6157 O OE1 . GLU D 1 136 ? 48.577 8.316 5.507 1.00 7.82 ? 136 GLU D OE1 1 ATOM 6158 O OE2 . GLU D 1 136 ? 47.763 6.668 4.300 1.00 7.67 ? 136 GLU D OE2 1 ATOM 6159 N N . GLN D 1 137 ? 51.168 5.604 5.406 1.00 5.78 ? 137 GLN D N 1 ATOM 6160 C CA . GLN D 1 137 ? 52.163 6.226 4.522 1.00 6.17 ? 137 GLN D CA 1 ATOM 6161 C C . GLN D 1 137 ? 51.623 7.439 3.796 1.00 5.93 ? 137 GLN D C 1 ATOM 6162 O O . GLN D 1 137 ? 50.521 7.386 3.297 1.00 6.86 ? 137 GLN D O 1 ATOM 6163 C CB . GLN D 1 137 ? 52.584 5.252 3.442 1.00 7.10 ? 137 GLN D CB 1 ATOM 6164 C CG . GLN D 1 137 ? 53.291 4.008 3.923 1.00 8.14 ? 137 GLN D CG 1 ATOM 6165 C CD . GLN D 1 137 ? 53.460 3.025 2.791 1.00 7.55 ? 137 GLN D CD 1 ATOM 6166 O OE1 . GLN D 1 137 ? 54.404 3.139 2.005 1.00 9.89 ? 137 GLN D OE1 1 ATOM 6167 N NE2 . GLN D 1 137 ? 52.541 2.084 2.667 1.00 6.77 ? 137 GLN D NE2 1 ATOM 6168 N N . ASP D 1 138 ? 52.446 8.483 3.666 1.00 6.10 ? 138 ASP D N 1 ATOM 6169 C CA . ASP D 1 138 ? 52.198 9.551 2.686 1.00 6.96 ? 138 ASP D CA 1 ATOM 6170 C C . ASP D 1 138 ? 53.226 9.603 1.568 1.00 8.22 ? 138 ASP D C 1 ATOM 6171 O O . ASP D 1 138 ? 53.035 10.330 0.597 1.00 10.06 ? 138 ASP D O 1 ATOM 6172 C CB . ASP D 1 138 ? 52.053 10.921 3.357 1.00 7.50 ? 138 ASP D CB 1 ATOM 6173 C CG . ASP D 1 138 ? 50.751 11.063 4.109 1.00 8.18 ? 138 ASP D CG 1 ATOM 6174 O OD1 . ASP D 1 138 ? 49.772 10.330 3.837 1.00 8.40 ? 138 ASP D OD1 1 ATOM 6175 O OD2 . ASP D 1 138 ? 50.704 11.896 5.029 1.00 10.28 ? 138 ASP D OD2 1 ATOM 6176 N N . SER D 1 139 ? 54.283 8.822 1.683 1.00 8.45 ? 139 SER D N 1 ATOM 6177 C CA . SER D 1 139 ? 55.256 8.683 0.608 1.00 9.24 ? 139 SER D CA 1 ATOM 6178 C C . SER D 1 139 ? 55.396 7.212 0.262 1.00 9.26 ? 139 SER D C 1 ATOM 6179 O O . SER D 1 139 ? 54.648 6.366 0.756 1.00 9.83 ? 139 SER D O 1 ATOM 6180 C CB . SER D 1 139 ? 56.602 9.243 1.050 1.00 10.29 ? 139 SER D CB 1 ATOM 6181 O OG . SER D 1 139 ? 57.188 8.404 2.031 1.00 12.14 ? 139 SER D OG 1 ATOM 6182 N N . TYR D 1 140 ? 56.353 6.894 -0.602 1.00 10.04 ? 140 TYR D N 1 ATOM 6183 C CA . TYR D 1 140 ? 56.568 5.508 -0.964 1.00 10.24 ? 140 TYR D CA 1 ATOM 6184 C C . TYR D 1 140 ? 57.421 4.864 0.129 1.00 10.68 ? 140 TYR D C 1 ATOM 6185 O O . TYR D 1 140 ? 58.650 4.894 0.087 1.00 12.40 ? 140 TYR D O 1 ATOM 6186 C CB . TYR D 1 140 ? 57.215 5.415 -2.342 1.00 11.33 ? 140 TYR D CB 1 ATOM 6187 C CG . TYR D 1 140 ? 57.382 4.016 -2.888 1.00 11.93 ? 140 TYR D CG 1 ATOM 6188 C CD1 . TYR D 1 140 ? 56.281 3.183 -3.085 1.00 12.03 ? 140 TYR D CD1 1 ATOM 6189 C CD2 . TYR D 1 140 ? 58.644 3.530 -3.245 1.00 12.54 ? 140 TYR D CD2 1 ATOM 6190 C CE1 . TYR D 1 140 ? 56.434 1.909 -3.607 1.00 12.25 ? 140 TYR D CE1 1 ATOM 6191 C CE2 . TYR D 1 140 ? 58.802 2.262 -3.762 1.00 13.23 ? 140 TYR D CE2 1 ATOM 6192 C CZ . TYR D 1 140 ? 57.698 1.458 -3.952 1.00 12.57 ? 140 TYR D CZ 1 ATOM 6193 O OH . TYR D 1 140 ? 57.870 0.179 -4.474 1.00 14.27 ? 140 TYR D OH 1 ATOM 6194 N N . GLY D 1 141 ? 56.740 4.342 1.143 1.00 9.89 ? 141 GLY D N 1 ATOM 6195 C CA . GLY D 1 141 ? 57.373 3.675 2.264 1.00 10.15 ? 141 GLY D CA 1 ATOM 6196 C C . GLY D 1 141 ? 57.469 4.491 3.539 1.00 11.55 ? 141 GLY D C 1 ATOM 6197 O O . GLY D 1 141 ? 57.912 3.958 4.560 1.00 15.06 ? 141 GLY D O 1 ATOM 6198 N N . GLY D 1 142 ? 57.057 5.757 3.511 1.00 10.19 ? 142 GLY D N 1 ATOM 6199 C CA . GLY D 1 142 ? 57.335 6.648 4.633 1.00 10.41 ? 142 GLY D CA 1 ATOM 6200 C C . GLY D 1 142 ? 56.361 7.793 4.819 1.00 10.36 ? 142 GLY D C 1 ATOM 6201 O O . GLY D 1 142 ? 55.194 7.685 4.453 1.00 9.34 ? 142 GLY D O 1 ATOM 6202 N N . LYS D 1 143 ? 56.871 8.890 5.381 1.00 11.32 ? 143 LYS D N 1 ATOM 6203 C CA . LYS D 1 143 ? 56.094 10.079 5.737 1.00 12.53 ? 143 LYS D CA 1 ATOM 6204 C C . LYS D 1 143 ? 54.874 9.706 6.566 1.00 10.93 ? 143 LYS D C 1 ATOM 6205 O O . LYS D 1 143 ? 53.737 9.964 6.219 1.00 10.99 ? 143 LYS D O 1 ATOM 6206 C CB . LYS D 1 143 ? 55.738 10.927 4.511 1.00 15.72 ? 143 LYS D CB 1 ATOM 6207 C CG . LYS D 1 143 ? 56.830 11.930 4.176 1.00 21.08 ? 143 LYS D CG 1 ATOM 6208 C CD . LYS D 1 143 ? 57.478 11.671 2.847 1.00 25.22 ? 143 LYS D CD 1 ATOM 6209 C CE . LYS D 1 143 ? 58.731 12.508 2.656 1.00 26.31 ? 143 LYS D CE 1 ATOM 6210 N NZ . LYS D 1 143 ? 59.480 12.090 1.429 1.00 25.62 ? 143 LYS D NZ 1 ATOM 6211 N N . PHE D 1 144 ? 55.179 9.119 7.711 1.00 9.71 ? 144 PHE D N 1 ATOM 6212 C CA . PHE D 1 144 ? 54.184 8.696 8.686 1.00 10.29 ? 144 PHE D CA 1 ATOM 6213 C C . PHE D 1 144 ? 53.649 9.884 9.510 1.00 11.13 ? 144 PHE D C 1 ATOM 6214 O O . PHE D 1 144 ? 54.219 10.979 9.496 1.00 13.38 ? 144 PHE D O 1 ATOM 6215 C CB . PHE D 1 144 ? 54.813 7.663 9.624 1.00 10.18 ? 144 PHE D CB 1 ATOM 6216 C CG . PHE D 1 144 ? 55.370 6.445 8.933 1.00 10.13 ? 144 PHE D CG 1 ATOM 6217 C CD1 . PHE D 1 144 ? 54.785 5.916 7.793 1.00 9.94 ? 144 PHE D CD1 1 ATOM 6218 C CD2 . PHE D 1 144 ? 56.485 5.822 9.437 1.00 10.98 ? 144 PHE D CD2 1 ATOM 6219 C CE1 . PHE D 1 144 ? 55.307 4.775 7.188 1.00 10.37 ? 144 PHE D CE1 1 ATOM 6220 C CE2 . PHE D 1 144 ? 57.014 4.687 8.838 1.00 11.15 ? 144 PHE D CE2 1 ATOM 6221 C CZ . PHE D 1 144 ? 56.424 4.166 7.708 1.00 10.62 ? 144 PHE D CZ 1 ATOM 6222 N N . ASP D 1 145 ? 52.548 9.648 10.221 1.00 10.02 ? 145 ASP D N 1 ATOM 6223 C CA . ASP D 1 145 ? 51.838 10.678 10.990 1.00 10.41 ? 145 ASP D CA 1 ATOM 6224 C C . ASP D 1 145 ? 51.379 10.053 12.301 1.00 9.82 ? 145 ASP D C 1 ATOM 6225 O O . ASP D 1 145 ? 50.571 9.130 12.298 1.00 8.85 ? 145 ASP D O 1 ATOM 6226 C CB . ASP D 1 145 ? 50.656 11.189 10.154 1.00 10.88 ? 145 ASP D CB 1 ATOM 6227 C CG . ASP D 1 145 ? 49.794 12.207 10.878 1.00 13.25 ? 145 ASP D CG 1 ATOM 6228 O OD1 . ASP D 1 145 ? 49.956 12.376 12.108 1.00 14.03 ? 145 ASP D OD1 1 ATOM 6229 O OD2 . ASP D 1 145 ? 48.916 12.820 10.211 1.00 15.09 ? 145 ASP D OD2 1 ATOM 6230 N N . ARG D 1 146 ? 51.931 10.527 13.415 1.00 11.45 ? 146 ARG D N 1 ATOM 6231 C CA . ARG D 1 146 ? 51.656 9.955 14.736 1.00 13.16 ? 146 ARG D CA 1 ATOM 6232 C C . ARG D 1 146 ? 50.161 9.866 15.027 1.00 11.09 ? 146 ARG D C 1 ATOM 6233 O O . ARG D 1 146 ? 49.700 8.908 15.653 1.00 10.36 ? 146 ARG D O 1 ATOM 6234 C CB . ARG D 1 146 ? 52.367 10.794 15.807 1.00 17.16 ? 146 ARG D CB 1 ATOM 6235 C CG . ARG D 1 146 ? 51.978 10.466 17.235 1.00 20.81 ? 146 ARG D CG 1 ATOM 6236 C CD . ARG D 1 146 ? 52.656 11.407 18.242 1.00 24.86 ? 146 ARG D CD 1 ATOM 6237 N NE . ARG D 1 146 ? 53.914 10.845 18.713 1.00 29.15 ? 146 ARG D NE 1 ATOM 6238 C CZ . ARG D 1 146 ? 54.091 10.212 19.872 1.00 31.11 ? 146 ARG D CZ 1 ATOM 6239 N NH1 . ARG D 1 146 ? 53.098 10.046 20.734 1.00 31.41 ? 146 ARG D NH1 1 ATOM 6240 N NH2 . ARG D 1 146 ? 55.291 9.745 20.171 1.00 32.58 ? 146 ARG D NH2 1 ATOM 6241 N N . SER D 1 147 ? 49.403 10.836 14.527 1.00 10.33 ? 147 SER D N 1 ATOM 6242 C CA . SER D 1 147 ? 47.975 10.906 14.801 1.00 11.01 ? 147 SER D CA 1 ATOM 6243 C C . SER D 1 147 ? 47.153 9.912 13.975 1.00 9.43 ? 147 SER D C 1 ATOM 6244 O O . SER D 1 147 ? 45.950 9.795 14.186 1.00 10.21 ? 147 SER D O 1 ATOM 6245 C CB . SER D 1 147 ? 47.452 12.331 14.581 1.00 13.76 ? 147 SER D CB 1 ATOM 6246 O OG . SER D 1 147 ? 47.395 12.649 13.197 1.00 16.18 ? 147 SER D OG 1 ATOM 6247 N N . GLN D 1 148 ? 47.821 9.167 13.090 1.00 7.36 ? 148 GLN D N 1 ATOM 6248 C CA . GLN D 1 148 ? 47.191 8.114 12.303 1.00 6.43 ? 148 GLN D CA 1 ATOM 6249 C C . GLN D 1 148 ? 47.761 6.734 12.612 1.00 6.07 ? 148 GLN D C 1 ATOM 6250 O O . GLN D 1 148 ? 47.365 5.733 11.991 1.00 6.93 ? 148 GLN D O 1 ATOM 6251 C CB . GLN D 1 148 ? 47.362 8.392 10.809 1.00 7.01 ? 148 GLN D CB 1 ATOM 6252 C CG . GLN D 1 148 ? 46.693 9.694 10.372 1.00 8.51 ? 148 GLN D CG 1 ATOM 6253 C CD . GLN D 1 148 ? 46.828 9.949 8.896 1.00 10.22 ? 148 GLN D CD 1 ATOM 6254 O OE1 . GLN D 1 148 ? 47.917 9.840 8.353 1.00 10.10 ? 148 GLN D OE1 1 ATOM 6255 N NE2 . GLN D 1 148 ? 45.719 10.260 8.229 1.00 14.19 ? 148 GLN D NE2 1 ATOM 6256 N N . SER D 1 149 ? 48.658 6.670 13.583 1.00 6.08 ? 149 SER D N 1 ATOM 6257 C CA . SER D 1 149 ? 49.329 5.418 13.917 1.00 6.17 ? 149 SER D CA 1 ATOM 6258 C C . SER D 1 149 ? 48.379 4.433 14.570 1.00 5.50 ? 149 SER D C 1 ATOM 6259 O O . SER D 1 149 ? 47.449 4.815 15.279 1.00 6.81 ? 149 SER D O 1 ATOM 6260 C CB . SER D 1 149 ? 50.527 5.653 14.827 1.00 7.21 ? 149 SER D CB 1 ATOM 6261 O OG . SER D 1 149 ? 50.167 6.213 16.067 1.00 8.79 ? 149 SER D OG 1 ATOM 6262 N N . PHE D 1 150 ? 48.632 3.155 14.349 1.00 6.15 ? 150 PHE D N 1 ATOM 6263 C CA . PHE D 1 150 ? 47.852 2.095 14.963 1.00 6.31 ? 150 PHE D CA 1 ATOM 6264 C C . PHE D 1 150 ? 48.536 1.635 16.241 1.00 6.18 ? 150 PHE D C 1 ATOM 6265 O O . PHE D 1 150 ? 49.700 1.294 16.238 1.00 8.25 ? 150 PHE D O 1 ATOM 6266 C CB . PHE D 1 150 ? 47.703 0.897 14.016 1.00 6.25 ? 150 PHE D CB 1 ATOM 6267 C CG . PHE D 1 150 ? 46.971 -0.261 14.632 1.00 6.04 ? 150 PHE D CG 1 ATOM 6268 C CD1 . PHE D 1 150 ? 45.590 -0.265 14.719 1.00 7.07 ? 150 PHE D CD1 1 ATOM 6269 C CD2 . PHE D 1 150 ? 47.673 -1.338 15.162 1.00 6.00 ? 150 PHE D CD2 1 ATOM 6270 C CE1 . PHE D 1 150 ? 44.915 -1.333 15.308 1.00 7.34 ? 150 PHE D CE1 1 ATOM 6271 C CE2 . PHE D 1 150 ? 47.003 -2.383 15.765 1.00 7.00 ? 150 PHE D CE2 1 ATOM 6272 C CZ . PHE D 1 150 ? 45.629 -2.388 15.829 1.00 7.19 ? 150 PHE D CZ 1 ATOM 6273 N N . VAL D 1 151 ? 47.781 1.616 17.330 1.00 5.55 ? 151 VAL D N 1 ATOM 6274 C CA . VAL D 1 151 ? 48.261 1.146 18.624 1.00 5.17 ? 151 VAL D CA 1 ATOM 6275 C C . VAL D 1 151 ? 47.330 0.016 18.982 1.00 5.00 ? 151 VAL D C 1 ATOM 6276 O O . VAL D 1 151 ? 46.122 0.186 19.020 1.00 6.14 ? 151 VAL D O 1 ATOM 6277 C CB . VAL D 1 151 ? 48.201 2.245 19.701 1.00 6.25 ? 151 VAL D CB 1 ATOM 6278 C CG1 . VAL D 1 151 ? 48.737 1.718 21.019 1.00 6.32 ? 151 VAL D CG1 1 ATOM 6279 C CG2 . VAL D 1 151 ? 48.998 3.443 19.258 1.00 6.75 ? 151 VAL D CG2 1 ATOM 6280 N N . GLY D 1 152 ? 47.893 -1.150 19.216 1.00 5.03 ? 152 GLY D N 1 ATOM 6281 C CA . GLY D 1 152 ? 47.100 -2.328 19.490 1.00 5.19 ? 152 GLY D CA 1 ATOM 6282 C C . GLY D 1 152 ? 47.692 -3.562 18.840 1.00 4.57 ? 152 GLY D C 1 ATOM 6283 O O . GLY D 1 152 ? 48.888 -3.646 18.598 1.00 5.68 ? 152 GLY D O 1 ATOM 6284 N N . GLU D 1 153 ? 46.840 -4.526 18.546 1.00 4.16 ? 153 GLU D N 1 ATOM 6285 C CA . GLU D 1 153 ? 47.287 -5.845 18.095 1.00 5.20 ? 153 GLU D CA 1 ATOM 6286 C C . GLU D 1 153 ? 46.630 -6.202 16.779 1.00 5.35 ? 153 GLU D C 1 ATOM 6287 O O . GLU D 1 153 ? 45.447 -5.936 16.593 1.00 5.67 ? 153 GLU D O 1 ATOM 6288 C CB . GLU D 1 153 ? 46.934 -6.898 19.148 1.00 5.89 ? 153 GLU D CB 1 ATOM 6289 C CG . GLU D 1 153 ? 47.415 -6.529 20.564 1.00 6.82 ? 153 GLU D CG 1 ATOM 6290 C CD . GLU D 1 153 ? 47.121 -7.590 21.618 1.00 8.50 ? 153 GLU D CD 1 ATOM 6291 O OE1 . GLU D 1 153 ? 47.252 -8.793 21.287 1.00 9.41 ? 153 GLU D OE1 1 ATOM 6292 O OE2 . GLU D 1 153 ? 46.776 -7.203 22.766 1.00 8.90 ? 153 GLU D OE2 1 ATOM 6293 N N . ILE D 1 154 ? 47.423 -6.772 15.866 1.00 4.70 ? 154 ILE D N 1 ATOM 6294 C CA . ILE D 1 154 ? 46.903 -7.266 14.579 1.00 6.24 ? 154 ILE D CA 1 ATOM 6295 C C . ILE D 1 154 ? 47.376 -8.675 14.310 1.00 6.53 ? 154 ILE D C 1 ATOM 6296 O O . ILE D 1 154 ? 48.530 -8.979 14.519 1.00 7.69 ? 154 ILE D O 1 ATOM 6297 C CB . ILE D 1 154 ? 47.371 -6.395 13.390 1.00 9.36 ? 154 ILE D CB 1 ATOM 6298 C CG1 . ILE D 1 154 ? 46.727 -5.018 13.478 1.00 11.58 ? 154 ILE D CG1 1 ATOM 6299 C CG2 . ILE D 1 154 ? 47.048 -7.083 12.021 1.00 11.13 ? 154 ILE D CG2 1 ATOM 6300 C CD1 . ILE D 1 154 ? 47.343 -3.995 12.530 1.00 12.57 ? 154 ILE D CD1 1 ATOM 6301 N N . GLY D 1 155 ? 46.485 -9.540 13.841 1.00 6.24 ? 155 GLY D N 1 ATOM 6302 C CA . GLY D 1 155 ? 46.883 -10.881 13.473 1.00 7.96 ? 155 GLY D CA 1 ATOM 6303 C C . GLY D 1 155 ? 46.016 -11.458 12.375 1.00 6.32 ? 155 GLY D C 1 ATOM 6304 O O . GLY D 1 155 ? 45.133 -10.802 11.855 1.00 6.20 ? 155 GLY D O 1 ATOM 6305 N N . ASP D 1 156 ? 46.316 -12.694 11.998 1.00 5.94 ? 156 ASP D N 1 ATOM 6306 C CA . ASP D 1 156 ? 45.544 -13.461 11.017 1.00 6.16 ? 156 ASP D CA 1 ATOM 6307 C C . ASP D 1 156 ? 45.281 -12.655 9.755 1.00 5.32 ? 156 ASP D C 1 ATOM 6308 O O . ASP D 1 156 ? 44.154 -12.582 9.278 1.00 5.86 ? 156 ASP D O 1 ATOM 6309 C CB . ASP D 1 156 ? 44.212 -13.922 11.642 1.00 8.54 ? 156 ASP D CB 1 ATOM 6310 C CG . ASP D 1 156 ? 44.387 -15.006 12.686 1.00 13.35 ? 156 ASP D CG 1 ATOM 6311 O OD1 . ASP D 1 156 ? 45.454 -15.636 12.739 1.00 16.23 ? 156 ASP D OD1 1 ATOM 6312 O OD2 . ASP D 1 156 ? 43.437 -15.233 13.461 1.00 14.18 ? 156 ASP D OD2 1 ATOM 6313 N N . LEU D 1 157 ? 46.340 -12.056 9.208 1.00 4.88 ? 157 LEU D N 1 ATOM 6314 C CA . LEU D 1 157 ? 46.221 -11.257 7.999 1.00 5.50 ? 157 LEU D CA 1 ATOM 6315 C C . LEU D 1 157 ? 46.467 -12.100 6.750 1.00 5.59 ? 157 LEU D C 1 ATOM 6316 O O . LEU D 1 157 ? 47.464 -12.808 6.651 1.00 6.17 ? 157 LEU D O 1 ATOM 6317 C CB . LEU D 1 157 ? 47.174 -10.056 8.070 1.00 6.02 ? 157 LEU D CB 1 ATOM 6318 C CG . LEU D 1 157 ? 46.949 -9.031 6.955 1.00 6.87 ? 157 LEU D CG 1 ATOM 6319 C CD1 . LEU D 1 157 ? 47.284 -7.649 7.426 1.00 7.37 ? 157 LEU D CD1 1 ATOM 6320 C CD2 . LEU D 1 157 ? 47.786 -9.380 5.741 1.00 7.79 ? 157 LEU D CD2 1 ATOM 6321 N N . TYR D 1 158 ? 45.526 -12.005 5.809 1.00 4.73 ? 158 TYR D N 1 ATOM 6322 C CA . TYR D 1 158 ? 45.545 -12.730 4.548 1.00 5.22 ? 158 TYR D CA 1 ATOM 6323 C C . TYR D 1 158 ? 45.080 -11.805 3.446 1.00 4.94 ? 158 TYR D C 1 ATOM 6324 O O . TYR D 1 158 ? 44.176 -10.992 3.632 1.00 5.99 ? 158 TYR D O 1 ATOM 6325 C CB . TYR D 1 158 ? 44.613 -13.953 4.597 1.00 6.28 ? 158 TYR D CB 1 ATOM 6326 C CG . TYR D 1 158 ? 45.025 -14.973 5.629 1.00 6.69 ? 158 TYR D CG 1 ATOM 6327 C CD1 . TYR D 1 158 ? 45.932 -15.982 5.317 1.00 7.14 ? 158 TYR D CD1 1 ATOM 6328 C CD2 . TYR D 1 158 ? 44.568 -14.886 6.935 1.00 6.95 ? 158 TYR D CD2 1 ATOM 6329 C CE1 . TYR D 1 158 ? 46.330 -16.901 6.264 1.00 7.80 ? 158 TYR D CE1 1 ATOM 6330 C CE2 . TYR D 1 158 ? 44.970 -15.806 7.883 1.00 8.21 ? 158 TYR D CE2 1 ATOM 6331 C CZ . TYR D 1 158 ? 45.853 -16.809 7.533 1.00 8.70 ? 158 TYR D CZ 1 ATOM 6332 O OH . TYR D 1 158 ? 46.275 -17.735 8.469 1.00 11.81 ? 158 TYR D OH 1 ATOM 6333 N N . MET D 1 159 ? 45.684 -11.935 2.269 1.00 5.09 ? 159 MET D N 1 ATOM 6334 C CA . MET D 1 159 ? 45.235 -11.159 1.127 1.00 5.28 ? 159 MET D CA 1 ATOM 6335 C C . MET D 1 159 ? 45.263 -12.044 -0.111 1.00 5.08 ? 159 MET D C 1 ATOM 6336 O O . MET D 1 159 ? 46.276 -12.732 -0.369 1.00 5.86 ? 159 MET D O 1 ATOM 6337 C CB . MET D 1 159 ? 46.118 -9.928 0.926 1.00 6.48 ? 159 MET D CB 1 ATOM 6338 C CG . MET D 1 159 ? 45.576 -8.925 -0.071 1.00 7.49 ? 159 MET D CG 1 ATOM 6339 S SD . MET D 1 159 ? 46.640 -7.475 -0.191 1.00 10.60 ? 159 MET D SD 1 ATOM 6340 C CE . MET D 1 159 ? 45.792 -6.547 -1.487 1.00 10.16 ? 159 MET D CE 1 ATOM 6341 N N . TRP D 1 160 ? 44.156 -11.995 -0.838 1.00 6.05 ? 160 TRP D N 1 ATOM 6342 C CA . TRP D 1 160 ? 43.923 -12.783 -2.040 1.00 6.17 ? 160 TRP D CA 1 ATOM 6343 C C . TRP D 1 160 ? 43.784 -11.864 -3.228 1.00 6.25 ? 160 TRP D C 1 ATOM 6344 O O . TRP D 1 160 ? 43.267 -10.761 -3.098 1.00 6.90 ? 160 TRP D O 1 ATOM 6345 C CB . TRP D 1 160 ? 42.622 -13.572 -1.938 1.00 6.80 ? 160 TRP D CB 1 ATOM 6346 C CG . TRP D 1 160 ? 42.517 -14.619 -0.837 1.00 7.99 ? 160 TRP D CG 1 ATOM 6347 C CD1 . TRP D 1 160 ? 42.674 -15.965 -0.981 1.00 8.78 ? 160 TRP D CD1 1 ATOM 6348 C CD2 . TRP D 1 160 ? 42.197 -14.405 0.555 1.00 7.87 ? 160 TRP D CD2 1 ATOM 6349 N NE1 . TRP D 1 160 ? 42.456 -16.603 0.214 1.00 9.10 ? 160 TRP D NE1 1 ATOM 6350 C CE2 . TRP D 1 160 ? 42.164 -15.671 1.173 1.00 8.59 ? 160 TRP D CE2 1 ATOM 6351 C CE3 . TRP D 1 160 ? 41.915 -13.270 1.329 1.00 7.02 ? 160 TRP D CE3 1 ATOM 6352 C CZ2 . TRP D 1 160 ? 41.881 -15.833 2.539 1.00 8.58 ? 160 TRP D CZ2 1 ATOM 6353 C CZ3 . TRP D 1 160 ? 41.623 -13.433 2.672 1.00 7.31 ? 160 TRP D CZ3 1 ATOM 6354 C CH2 . TRP D 1 160 ? 41.619 -14.707 3.267 1.00 8.06 ? 160 TRP D CH2 1 ATOM 6355 N N . ASP D 1 161 ? 44.163 -12.332 -4.423 1.00 7.55 ? 161 ASP D N 1 ATOM 6356 C CA . ASP D 1 161 ? 43.939 -11.549 -5.643 1.00 8.89 ? 161 ASP D CA 1 ATOM 6357 C C . ASP D 1 161 ? 42.594 -11.829 -6.327 1.00 9.16 ? 161 ASP D C 1 ATOM 6358 O O . ASP D 1 161 ? 42.466 -11.697 -7.548 1.00 11.37 ? 161 ASP D O 1 ATOM 6359 C CB . ASP D 1 161 ? 45.096 -11.743 -6.624 1.00 11.49 ? 161 ASP D CB 1 ATOM 6360 C CG . ASP D 1 161 ? 45.067 -13.089 -7.324 1.00 14.51 ? 161 ASP D CG 1 ATOM 6361 O OD1 . ASP D 1 161 ? 44.307 -14.006 -6.924 1.00 13.71 ? 161 ASP D OD1 1 ATOM 6362 O OD2 . ASP D 1 161 ? 45.841 -13.242 -8.298 1.00 17.88 ? 161 ASP D OD2 1 ATOM 6363 N N . SER D 1 162 ? 41.588 -12.175 -5.532 1.00 8.16 ? 162 SER D N 1 ATOM 6364 C CA . SER D 1 162 ? 40.237 -12.451 -6.003 1.00 8.78 ? 162 SER D CA 1 ATOM 6365 C C . SER D 1 162 ? 39.250 -11.932 -4.965 1.00 8.51 ? 162 SER D C 1 ATOM 6366 O O . SER D 1 162 ? 39.635 -11.645 -3.846 1.00 8.93 ? 162 SER D O 1 ATOM 6367 C CB . SER D 1 162 ? 40.014 -13.949 -6.236 1.00 10.48 ? 162 SER D CB 1 ATOM 6368 O OG . SER D 1 162 ? 40.161 -14.684 -5.037 1.00 12.81 ? 162 SER D OG 1 ATOM 6369 N N . VAL D 1 163 ? 37.982 -11.839 -5.344 1.00 9.72 ? 163 VAL D N 1 ATOM 6370 C CA . VAL D 1 163 ? 36.912 -11.470 -4.431 1.00 9.27 ? 163 VAL D CA 1 ATOM 6371 C C . VAL D 1 163 ? 36.344 -12.730 -3.789 1.00 9.16 ? 163 VAL D C 1 ATOM 6372 O O . VAL D 1 163 ? 35.787 -13.587 -4.481 1.00 10.52 ? 163 VAL D O 1 ATOM 6373 C CB . VAL D 1 163 ? 35.793 -10.743 -5.187 1.00 10.26 ? 163 VAL D CB 1 ATOM 6374 C CG1 . VAL D 1 163 ? 34.655 -10.417 -4.252 1.00 10.30 ? 163 VAL D CG1 1 ATOM 6375 C CG2 . VAL D 1 163 ? 36.333 -9.483 -5.844 1.00 11.95 ? 163 VAL D CG2 1 ATOM 6376 N N . LEU D 1 164 ? 36.500 -12.875 -2.475 1.00 9.14 ? 164 LEU D N 1 ATOM 6377 C CA . LEU D 1 164 ? 36.006 -14.082 -1.813 1.00 9.55 ? 164 LEU D CA 1 ATOM 6378 C C . LEU D 1 164 ? 34.490 -14.075 -1.714 1.00 9.83 ? 164 LEU D C 1 ATOM 6379 O O . LEU D 1 164 ? 33.879 -13.061 -1.422 1.00 10.59 ? 164 LEU D O 1 ATOM 6380 C CB . LEU D 1 164 ? 36.576 -14.218 -0.399 1.00 9.97 ? 164 LEU D CB 1 ATOM 6381 C CG . LEU D 1 164 ? 38.078 -14.390 -0.215 1.00 12.41 ? 164 LEU D CG 1 ATOM 6382 C CD1 . LEU D 1 164 ? 38.382 -14.615 1.276 1.00 12.46 ? 164 LEU D CD1 1 ATOM 6383 C CD2 . LEU D 1 164 ? 38.600 -15.533 -1.069 1.00 14.44 ? 164 LEU D CD2 1 ATOM 6384 N N . PRO D 1 165 ? 33.872 -15.237 -1.939 1.00 11.08 ? 165 PRO D N 1 ATOM 6385 C CA . PRO D 1 165 ? 32.438 -15.356 -1.679 1.00 11.49 ? 165 PRO D CA 1 ATOM 6386 C C . PRO D 1 165 ? 32.183 -15.456 -0.174 1.00 10.52 ? 165 PRO D C 1 ATOM 6387 O O . PRO D 1 165 ? 33.112 -15.686 0.617 1.00 9.52 ? 165 PRO D O 1 ATOM 6388 C CB . PRO D 1 165 ? 32.067 -16.647 -2.415 1.00 12.49 ? 165 PRO D CB 1 ATOM 6389 C CG . PRO D 1 165 ? 33.306 -17.485 -2.282 1.00 12.30 ? 165 PRO D CG 1 ATOM 6390 C CD . PRO D 1 165 ? 34.447 -16.496 -2.437 1.00 11.03 ? 165 PRO D CD 1 ATOM 6391 N N . PRO D 1 166 ? 30.927 -15.277 0.229 1.00 10.16 ? 166 PRO D N 1 ATOM 6392 C CA . PRO D 1 166 ? 30.596 -15.266 1.652 1.00 10.49 ? 166 PRO D CA 1 ATOM 6393 C C . PRO D 1 166 ? 31.098 -16.475 2.427 1.00 10.04 ? 166 PRO D C 1 ATOM 6394 O O . PRO D 1 166 ? 31.563 -16.318 3.553 1.00 9.54 ? 166 PRO D O 1 ATOM 6395 C CB . PRO D 1 166 ? 29.067 -15.195 1.642 1.00 11.15 ? 166 PRO D CB 1 ATOM 6396 C CG . PRO D 1 166 ? 28.751 -14.470 0.389 1.00 11.31 ? 166 PRO D CG 1 ATOM 6397 C CD . PRO D 1 166 ? 29.752 -14.965 -0.608 1.00 10.92 ? 166 PRO D CD 1 ATOM 6398 N N . GLU D 1 167 ? 30.986 -17.670 1.865 1.00 10.35 ? 167 GLU D N 1 ATOM 6399 C CA . GLU D 1 167 ? 31.415 -18.851 2.597 1.00 10.69 ? 167 GLU D CA 1 ATOM 6400 C C . GLU D 1 167 ? 32.920 -18.814 2.914 1.00 9.86 ? 167 GLU D C 1 ATOM 6401 O O . GLU D 1 167 ? 33.333 -19.252 3.987 1.00 10.46 ? 167 GLU D O 1 ATOM 6402 C CB . GLU D 1 167 ? 30.995 -20.136 1.854 1.00 13.43 ? 167 GLU D CB 1 ATOM 6403 C CG . GLU D 1 167 ? 31.601 -20.311 0.482 1.00 17.22 ? 167 GLU D CG 1 ATOM 6404 C CD . GLU D 1 167 ? 30.780 -19.693 -0.677 1.00 20.64 ? 167 GLU D CD 1 ATOM 6405 O OE1 . GLU D 1 167 ? 29.957 -18.737 -0.479 1.00 21.23 ? 167 GLU D OE1 1 ATOM 6406 O OE2 . GLU D 1 167 ? 30.992 -20.183 -1.815 1.00 22.39 ? 167 GLU D OE2 1 ATOM 6407 N N . ASN D 1 168 ? 33.737 -18.274 2.007 1.00 9.39 ? 168 ASN D N 1 ATOM 6408 C CA . ASN D 1 168 ? 35.171 -18.178 2.265 1.00 9.41 ? 168 ASN D CA 1 ATOM 6409 C C . ASN D 1 168 ? 35.495 -17.064 3.275 1.00 7.86 ? 168 ASN D C 1 ATOM 6410 O O . ASN D 1 168 ? 36.457 -17.161 4.022 1.00 8.76 ? 168 ASN D O 1 ATOM 6411 C CB . ASN D 1 168 ? 35.977 -17.919 0.979 1.00 11.25 ? 168 ASN D CB 1 ATOM 6412 C CG . ASN D 1 168 ? 35.959 -19.067 -0.031 1.00 13.48 ? 168 ASN D CG 1 ATOM 6413 O OD1 . ASN D 1 168 ? 36.409 -18.856 -1.153 1.00 16.97 ? 168 ASN D OD1 1 ATOM 6414 N ND2 . ASN D 1 168 ? 35.498 -20.251 0.342 1.00 12.60 ? 168 ASN D ND2 1 ATOM 6415 N N A ILE D 1 169 ? 34.698 -16.010 3.285 0.62 7.77 ? 169 ILE D N 1 ATOM 6416 N N B ILE D 1 169 ? 34.688 -16.008 3.268 0.38 8.36 ? 169 ILE D N 1 ATOM 6417 C CA A ILE D 1 169 ? 34.853 -14.975 4.294 0.62 7.97 ? 169 ILE D CA 1 ATOM 6418 C CA B ILE D 1 169 ? 34.786 -14.951 4.271 0.38 8.92 ? 169 ILE D CA 1 ATOM 6419 C C A ILE D 1 169 ? 34.545 -15.530 5.676 0.62 8.22 ? 169 ILE D C 1 ATOM 6420 C C B ILE D 1 169 ? 34.552 -15.542 5.653 0.38 8.78 ? 169 ILE D C 1 ATOM 6421 O O A ILE D 1 169 ? 35.293 -15.296 6.613 0.62 7.72 ? 169 ILE D O 1 ATOM 6422 O O B ILE D 1 169 ? 35.337 -15.325 6.569 0.38 8.40 ? 169 ILE D O 1 ATOM 6423 C CB A ILE D 1 169 ? 33.968 -13.761 3.993 0.62 8.58 ? 169 ILE D CB 1 ATOM 6424 C CB B ILE D 1 169 ? 33.737 -13.835 4.046 0.38 9.80 ? 169 ILE D CB 1 ATOM 6425 C CG1 A ILE D 1 169 ? 34.437 -13.130 2.687 0.62 8.86 ? 169 ILE D CG1 1 ATOM 6426 C CG1 B ILE D 1 169 ? 33.941 -13.154 2.688 0.38 10.05 ? 169 ILE D CG1 1 ATOM 6427 C CG2 A ILE D 1 169 ? 34.007 -12.776 5.141 0.62 9.31 ? 169 ILE D CG2 1 ATOM 6428 C CG2 B ILE D 1 169 ? 33.792 -12.823 5.177 0.38 10.17 ? 169 ILE D CG2 1 ATOM 6429 C CD1 A ILE D 1 169 ? 33.507 -12.097 2.151 0.62 9.79 ? 169 ILE D CD1 1 ATOM 6430 C CD1 B ILE D 1 169 ? 35.021 -12.100 2.675 0.38 10.50 ? 169 ILE D CD1 1 ATOM 6431 N N . LEU D 1 170 ? 33.473 -16.302 5.786 1.00 8.85 ? 170 LEU D N 1 ATOM 6432 C CA . LEU D 1 170 ? 33.137 -16.921 7.049 1.00 10.95 ? 170 LEU D CA 1 ATOM 6433 C C . LEU D 1 170 ? 34.223 -17.892 7.488 1.00 9.92 ? 170 LEU D C 1 ATOM 6434 O O . LEU D 1 170 ? 34.557 -17.931 8.662 1.00 10.21 ? 170 LEU D O 1 ATOM 6435 C CB . LEU D 1 170 ? 31.764 -17.593 7.000 1.00 14.18 ? 170 LEU D CB 1 ATOM 6436 C CG . LEU D 1 170 ? 30.568 -16.632 6.996 1.00 19.45 ? 170 LEU D CG 1 ATOM 6437 C CD1 . LEU D 1 170 ? 29.271 -17.420 7.171 1.00 21.40 ? 170 LEU D CD1 1 ATOM 6438 C CD2 . LEU D 1 170 ? 30.663 -15.552 8.056 1.00 21.59 ? 170 LEU D CD2 1 ATOM 6439 N N . SER D 1 171 ? 34.785 -18.656 6.550 1.00 9.52 ? 171 SER D N 1 ATOM 6440 C CA . SER D 1 171 ? 35.903 -19.533 6.866 1.00 9.47 ? 171 SER D CA 1 ATOM 6441 C C . SER D 1 171 ? 37.064 -18.743 7.486 1.00 8.10 ? 171 SER D C 1 ATOM 6442 O O . SER D 1 171 ? 37.652 -19.162 8.482 1.00 9.50 ? 171 SER D O 1 ATOM 6443 C CB . SER D 1 171 ? 36.379 -20.255 5.613 1.00 11.68 ? 171 SER D CB 1 ATOM 6444 O OG . SER D 1 171 ? 35.406 -21.187 5.180 1.00 13.79 ? 171 SER D OG 1 ATOM 6445 N N . ALA D 1 172 ? 37.396 -17.597 6.905 1.00 8.49 ? 172 ALA D N 1 ATOM 6446 C CA . ALA D 1 172 ? 38.460 -16.795 7.463 1.00 8.59 ? 172 ALA D CA 1 ATOM 6447 C C . ALA D 1 172 ? 38.091 -16.316 8.864 1.00 8.18 ? 172 ALA D C 1 ATOM 6448 O O . ALA D 1 172 ? 38.911 -16.375 9.782 1.00 8.15 ? 172 ALA D O 1 ATOM 6449 C CB . ALA D 1 172 ? 38.774 -15.626 6.549 1.00 9.06 ? 172 ALA D CB 1 ATOM 6450 N N . TYR D 1 173 ? 36.864 -15.824 9.029 1.00 7.86 ? 173 TYR D N 1 ATOM 6451 C CA . TYR D 1 173 ? 36.407 -15.349 10.338 1.00 8.78 ? 173 TYR D CA 1 ATOM 6452 C C . TYR D 1 173 ? 36.531 -16.454 11.403 1.00 9.78 ? 173 TYR D C 1 ATOM 6453 O O . TYR D 1 173 ? 36.931 -16.196 12.554 1.00 10.58 ? 173 TYR D O 1 ATOM 6454 C CB . TYR D 1 173 ? 34.979 -14.823 10.214 1.00 9.79 ? 173 TYR D CB 1 ATOM 6455 C CG . TYR D 1 173 ? 34.319 -14.449 11.510 1.00 11.08 ? 173 TYR D CG 1 ATOM 6456 C CD1 . TYR D 1 173 ? 34.911 -13.544 12.377 1.00 11.24 ? 173 TYR D CD1 1 ATOM 6457 C CD2 . TYR D 1 173 ? 33.084 -14.966 11.855 1.00 13.63 ? 173 TYR D CD2 1 ATOM 6458 C CE1 . TYR D 1 173 ? 34.306 -13.188 13.559 1.00 12.11 ? 173 TYR D CE1 1 ATOM 6459 C CE2 . TYR D 1 173 ? 32.471 -14.607 13.029 1.00 14.22 ? 173 TYR D CE2 1 ATOM 6460 C CZ . TYR D 1 173 ? 33.087 -13.711 13.877 1.00 14.86 ? 173 TYR D CZ 1 ATOM 6461 O OH . TYR D 1 173 ? 32.480 -13.339 15.057 1.00 18.78 ? 173 TYR D OH 1 ATOM 6462 N N . GLN D 1 174 ? 36.225 -17.680 11.001 1.00 10.38 ? 174 GLN D N 1 ATOM 6463 C CA . GLN D 1 174 ? 36.215 -18.821 11.910 1.00 11.65 ? 174 GLN D CA 1 ATOM 6464 C C . GLN D 1 174 ? 37.590 -19.422 12.145 1.00 12.30 ? 174 GLN D C 1 ATOM 6465 O O . GLN D 1 174 ? 37.746 -20.347 12.946 1.00 15.50 ? 174 GLN D O 1 ATOM 6466 C CB . GLN D 1 174 ? 35.300 -19.905 11.350 1.00 14.41 ? 174 GLN D CB 1 ATOM 6467 C CG . GLN D 1 174 ? 33.847 -19.521 11.369 1.00 17.91 ? 174 GLN D CG 1 ATOM 6468 C CD . GLN D 1 174 ? 32.999 -20.460 10.529 1.00 22.03 ? 174 GLN D CD 1 ATOM 6469 O OE1 . GLN D 1 174 ? 33.510 -21.397 9.904 1.00 22.54 ? 174 GLN D OE1 1 ATOM 6470 N NE2 . GLN D 1 174 ? 31.699 -20.216 10.513 1.00 24.58 ? 174 GLN D NE2 1 ATOM 6471 N N . GLY D 1 175 ? 38.601 -18.908 11.460 1.00 11.30 ? 175 GLY D N 1 ATOM 6472 C CA . GLY D 1 175 ? 39.946 -19.394 11.693 1.00 11.88 ? 175 GLY D CA 1 ATOM 6473 C C . GLY D 1 175 ? 40.444 -20.448 10.729 1.00 12.29 ? 175 GLY D C 1 ATOM 6474 O O . GLY D 1 175 ? 41.494 -21.028 10.975 1.00 13.08 ? 175 GLY D O 1 ATOM 6475 N N . THR D 1 176 ? 39.709 -20.704 9.650 1.00 11.47 ? 176 THR D N 1 ATOM 6476 C CA . THR D 1 176 ? 40.131 -21.680 8.634 1.00 12.53 ? 176 THR D CA 1 ATOM 6477 C C . THR D 1 176 ? 40.103 -21.053 7.235 1.00 10.79 ? 176 THR D C 1 ATOM 6478 O O . THR D 1 176 ? 39.398 -21.517 6.338 1.00 10.82 ? 176 THR D O 1 ATOM 6479 C CB . THR D 1 176 ? 39.257 -22.958 8.684 1.00 15.35 ? 176 THR D CB 1 ATOM 6480 O OG1 . THR D 1 176 ? 37.881 -22.587 8.542 1.00 16.62 ? 176 THR D OG1 1 ATOM 6481 C CG2 . THR D 1 176 ? 39.449 -23.693 10.009 1.00 17.82 ? 176 THR D CG2 1 ATOM 6482 N N . PRO D 1 177 ? 40.907 -20.010 7.033 1.00 9.94 ? 177 PRO D N 1 ATOM 6483 C CA . PRO D 1 177 ? 40.920 -19.321 5.738 1.00 9.50 ? 177 PRO D CA 1 ATOM 6484 C C . PRO D 1 177 ? 41.400 -20.212 4.614 1.00 9.63 ? 177 PRO D C 1 ATOM 6485 O O . PRO D 1 177 ? 42.203 -21.123 4.839 1.00 10.10 ? 177 PRO D O 1 ATOM 6486 C CB . PRO D 1 177 ? 41.936 -18.195 5.956 1.00 9.39 ? 177 PRO D CB 1 ATOM 6487 C CG . PRO D 1 177 ? 42.824 -18.719 7.023 1.00 10.55 ? 177 PRO D CG 1 ATOM 6488 C CD . PRO D 1 177 ? 41.921 -19.469 7.951 1.00 10.51 ? 177 PRO D CD 1 ATOM 6489 N N . LEU D 1 178 ? 40.906 -19.923 3.419 1.00 10.31 ? 178 LEU D N 1 ATOM 6490 C CA . LEU D 1 178 ? 41.407 -20.543 2.206 1.00 10.49 ? 178 LEU D CA 1 ATOM 6491 C C . LEU D 1 178 ? 42.813 -20.011 1.949 1.00 11.46 ? 178 LEU D C 1 ATOM 6492 O O . LEU D 1 178 ? 43.169 -18.923 2.400 1.00 12.24 ? 178 LEU D O 1 ATOM 6493 C CB . LEU D 1 178 ? 40.460 -20.245 1.029 1.00 12.65 ? 178 LEU D CB 1 ATOM 6494 C CG . LEU D 1 178 ? 39.160 -21.065 1.016 1.00 13.84 ? 178 LEU D CG 1 ATOM 6495 C CD1 . LEU D 1 178 ? 39.461 -22.536 0.806 1.00 13.65 ? 178 LEU D CD1 1 ATOM 6496 C CD2 . LEU D 1 178 ? 38.304 -20.909 2.285 1.00 15.09 ? 178 LEU D CD2 1 ATOM 6497 N N . PRO D 1 179 ? 43.637 -20.787 1.240 1.00 11.32 ? 179 PRO D N 1 ATOM 6498 C CA . PRO D 1 179 ? 45.006 -20.320 0.987 1.00 11.84 ? 179 PRO D CA 1 ATOM 6499 C C . PRO D 1 179 ? 45.013 -18.998 0.208 1.00 11.05 ? 179 PRO D C 1 ATOM 6500 O O . PRO D 1 179 ? 44.204 -18.774 -0.702 1.00 12.11 ? 179 PRO D O 1 ATOM 6501 C CB . PRO D 1 179 ? 45.662 -21.492 0.242 1.00 13.14 ? 179 PRO D CB 1 ATOM 6502 C CG . PRO D 1 179 ? 44.543 -22.332 -0.255 1.00 12.52 ? 179 PRO D CG 1 ATOM 6503 C CD . PRO D 1 179 ? 43.356 -22.092 0.619 1.00 11.50 ? 179 PRO D CD 1 ATOM 6504 N N . ALA D 1 180 ? 45.924 -18.117 0.598 1.00 9.13 ? 180 ALA D N 1 ATOM 6505 C CA . ALA D 1 180 ? 45.931 -16.737 0.107 1.00 8.87 ? 180 ALA D CA 1 ATOM 6506 C C . ALA D 1 180 ? 47.208 -16.484 -0.659 1.00 10.33 ? 180 ALA D C 1 ATOM 6507 O O . ALA D 1 180 ? 48.286 -16.818 -0.187 1.00 13.63 ? 180 ALA D O 1 ATOM 6508 C CB . ALA D 1 180 ? 45.815 -15.760 1.268 1.00 8.91 ? 180 ALA D CB 1 ATOM 6509 N N . ASN D 1 181 ? 47.098 -15.872 -1.829 1.00 9.04 ? 181 ASN D N 1 ATOM 6510 C CA . ASN D 1 181 ? 48.263 -15.773 -2.718 1.00 9.85 ? 181 ASN D CA 1 ATOM 6511 C C . ASN D 1 181 ? 48.990 -14.434 -2.786 1.00 10.49 ? 181 ASN D C 1 ATOM 6512 O O . ASN D 1 181 ? 49.997 -14.334 -3.487 1.00 14.32 ? 181 ASN D O 1 ATOM 6513 C CB . ASN D 1 181 ? 47.897 -16.201 -4.137 1.00 11.35 ? 181 ASN D CB 1 ATOM 6514 C CG . ASN D 1 181 ? 46.748 -15.418 -4.727 1.00 12.71 ? 181 ASN D CG 1 ATOM 6515 O OD1 . ASN D 1 181 ? 46.172 -14.534 -4.104 1.00 11.77 ? 181 ASN D OD1 1 ATOM 6516 N ND2 . ASN D 1 181 ? 46.385 -15.772 -5.948 1.00 13.98 ? 181 ASN D ND2 1 ATOM 6517 N N . ILE D 1 182 ? 48.510 -13.412 -2.088 1.00 8.17 ? 182 ILE D N 1 ATOM 6518 C CA . ILE D 1 182 ? 49.257 -12.142 -2.004 1.00 8.18 ? 182 ILE D CA 1 ATOM 6519 C C . ILE D 1 182 ? 50.005 -12.006 -0.658 1.00 8.73 ? 182 ILE D C 1 ATOM 6520 O O . ILE D 1 182 ? 51.212 -11.731 -0.613 1.00 9.79 ? 182 ILE D O 1 ATOM 6521 C CB . ILE D 1 182 ? 48.340 -10.906 -2.244 1.00 9.60 ? 182 ILE D CB 1 ATOM 6522 C CG1 . ILE D 1 182 ? 47.686 -10.984 -3.624 1.00 9.92 ? 182 ILE D CG1 1 ATOM 6523 C CG2 . ILE D 1 182 ? 49.138 -9.602 -2.178 1.00 10.29 ? 182 ILE D CG2 1 ATOM 6524 C CD1 . ILE D 1 182 ? 46.712 -9.853 -3.919 1.00 10.85 ? 182 ILE D CD1 1 ATOM 6525 N N . LEU D 1 183 ? 49.278 -12.174 0.440 1.00 7.80 ? 183 LEU D N 1 ATOM 6526 C CA . LEU D 1 183 ? 49.878 -12.188 1.775 1.00 7.24 ? 183 LEU D CA 1 ATOM 6527 C C . LEU D 1 183 ? 49.264 -13.345 2.535 1.00 7.17 ? 183 LEU D C 1 ATOM 6528 O O . LEU D 1 183 ? 48.052 -13.547 2.475 1.00 7.27 ? 183 LEU D O 1 ATOM 6529 C CB . LEU D 1 183 ? 49.608 -10.888 2.556 1.00 8.00 ? 183 LEU D CB 1 ATOM 6530 C CG . LEU D 1 183 ? 50.230 -9.630 1.947 1.00 9.29 ? 183 LEU D CG 1 ATOM 6531 C CD1 . LEU D 1 183 ? 49.654 -8.389 2.569 1.00 8.79 ? 183 LEU D CD1 1 ATOM 6532 C CD2 . LEU D 1 183 ? 51.745 -9.660 2.111 1.00 10.71 ? 183 LEU D CD2 1 ATOM 6533 N N . ASP D 1 184 ? 50.084 -14.084 3.282 1.00 7.70 ? 184 ASP D N 1 ATOM 6534 C CA . ASP D 1 184 ? 49.575 -15.224 4.041 1.00 9.20 ? 184 ASP D CA 1 ATOM 6535 C C . ASP D 1 184 ? 50.247 -15.260 5.400 1.00 8.10 ? 184 ASP D C 1 ATOM 6536 O O . ASP D 1 184 ? 51.463 -15.358 5.494 1.00 8.85 ? 184 ASP D O 1 ATOM 6537 C CB . ASP D 1 184 ? 49.817 -16.548 3.299 1.00 13.28 ? 184 ASP D CB 1 ATOM 6538 C CG . ASP D 1 184 ? 48.949 -17.688 3.845 1.00 16.50 ? 184 ASP D CG 1 ATOM 6539 O OD1 . ASP D 1 184 ? 49.194 -18.076 4.978 1.00 14.92 ? 184 ASP D OD1 1 ATOM 6540 O OD2 . ASP D 1 184 ? 48.008 -18.189 3.153 1.00 19.99 ? 184 ASP D OD2 1 ATOM 6541 N N . TRP D 1 185 ? 49.438 -15.193 6.452 1.00 7.52 ? 185 TRP D N 1 ATOM 6542 C CA . TRP D 1 185 ? 49.934 -15.141 7.826 1.00 6.82 ? 185 TRP D CA 1 ATOM 6543 C C . TRP D 1 185 ? 50.790 -16.364 8.176 1.00 7.93 ? 185 TRP D C 1 ATOM 6544 O O . TRP D 1 185 ? 51.640 -16.301 9.058 1.00 7.85 ? 185 TRP D O 1 ATOM 6545 C CB . TRP D 1 185 ? 48.739 -15.047 8.770 1.00 6.85 ? 185 TRP D CB 1 ATOM 6546 C CG . TRP D 1 185 ? 49.044 -14.530 10.130 1.00 7.01 ? 185 TRP D CG 1 ATOM 6547 C CD1 . TRP D 1 185 ? 48.935 -15.207 11.312 1.00 7.84 ? 185 TRP D CD1 1 ATOM 6548 C CD2 . TRP D 1 185 ? 49.498 -13.223 10.458 1.00 7.35 ? 185 TRP D CD2 1 ATOM 6549 N NE1 . TRP D 1 185 ? 49.270 -14.393 12.358 1.00 8.21 ? 185 TRP D NE1 1 ATOM 6550 C CE2 . TRP D 1 185 ? 49.634 -13.173 11.866 1.00 7.47 ? 185 TRP D CE2 1 ATOM 6551 C CE3 . TRP D 1 185 ? 49.789 -12.077 9.708 1.00 8.42 ? 185 TRP D CE3 1 ATOM 6552 C CZ2 . TRP D 1 185 ? 50.070 -12.035 12.535 1.00 8.09 ? 185 TRP D CZ2 1 ATOM 6553 C CZ3 . TRP D 1 185 ? 50.204 -10.925 10.393 1.00 8.34 ? 185 TRP D CZ3 1 ATOM 6554 C CH2 . TRP D 1 185 ? 50.344 -10.925 11.792 1.00 8.50 ? 185 TRP D CH2 1 ATOM 6555 N N . GLN D 1 186 ? 50.529 -17.485 7.513 1.00 8.59 ? 186 GLN D N 1 ATOM 6556 C CA . GLN D 1 186 ? 51.279 -18.716 7.781 1.00 9.74 ? 186 GLN D CA 1 ATOM 6557 C C . GLN D 1 186 ? 52.605 -18.804 7.020 1.00 10.29 ? 186 GLN D C 1 ATOM 6558 O O . GLN D 1 186 ? 53.338 -19.784 7.189 1.00 11.77 ? 186 GLN D O 1 ATOM 6559 C CB . GLN D 1 186 ? 50.427 -19.949 7.465 1.00 12.86 ? 186 GLN D CB 1 ATOM 6560 C CG . GLN D 1 186 ? 49.157 -20.087 8.295 1.00 16.73 ? 186 GLN D CG 1 ATOM 6561 C CD . GLN D 1 186 ? 48.584 -21.521 8.318 1.00 21.05 ? 186 GLN D CD 1 ATOM 6562 O OE1 . GLN D 1 186 ? 48.416 -22.151 7.279 1.00 22.53 ? 186 GLN D OE1 1 ATOM 6563 N NE2 . GLN D 1 186 ? 48.296 -22.034 9.520 1.00 22.66 ? 186 GLN D NE2 1 ATOM 6564 N N . ALA D 1 187 ? 52.878 -17.816 6.162 1.00 10.31 ? 187 ALA D N 1 ATOM 6565 C CA . ALA D 1 187 ? 54.105 -17.760 5.378 1.00 10.40 ? 187 ALA D CA 1 ATOM 6566 C C . ALA D 1 187 ? 54.353 -16.299 5.030 1.00 10.42 ? 187 ALA D C 1 ATOM 6567 O O . ALA D 1 187 ? 54.316 -15.892 3.881 1.00 10.76 ? 187 ALA D O 1 ATOM 6568 C CB . ALA D 1 187 ? 54.007 -18.636 4.125 1.00 11.66 ? 187 ALA D CB 1 ATOM 6569 N N . LEU D 1 188 ? 54.593 -15.501 6.056 1.00 9.60 ? 188 LEU D N 1 ATOM 6570 C CA . LEU D 1 188 ? 54.664 -14.056 5.907 1.00 9.63 ? 188 LEU D CA 1 ATOM 6571 C C . LEU D 1 188 ? 56.104 -13.580 5.870 1.00 10.39 ? 188 LEU D C 1 ATOM 6572 O O . LEU D 1 188 ? 56.928 -13.982 6.693 1.00 11.79 ? 188 LEU D O 1 ATOM 6573 C CB . LEU D 1 188 ? 53.913 -13.399 7.068 1.00 9.07 ? 188 LEU D CB 1 ATOM 6574 C CG . LEU D 1 188 ? 53.565 -11.905 6.896 1.00 9.63 ? 188 LEU D CG 1 ATOM 6575 C CD1 . LEU D 1 188 ? 52.404 -11.780 5.944 1.00 10.60 ? 188 LEU D CD1 1 ATOM 6576 C CD2 . LEU D 1 188 ? 53.238 -11.246 8.230 1.00 10.79 ? 188 LEU D CD2 1 ATOM 6577 N N . ASN D 1 189 ? 56.392 -12.731 4.901 1.00 9.97 ? 189 ASN D N 1 ATOM 6578 C CA . ASN D 1 189 ? 57.680 -12.080 4.785 1.00 11.00 ? 189 ASN D CA 1 ATOM 6579 C C . ASN D 1 189 ? 57.526 -10.635 5.256 1.00 10.11 ? 189 ASN D C 1 ATOM 6580 O O . ASN D 1 189 ? 56.831 -9.834 4.633 1.00 11.83 ? 189 ASN D O 1 ATOM 6581 C CB . ASN D 1 189 ? 58.110 -12.136 3.315 1.00 13.91 ? 189 ASN D CB 1 ATOM 6582 C CG . ASN D 1 189 ? 59.527 -11.685 3.091 1.00 18.77 ? 189 ASN D CG 1 ATOM 6583 O OD1 . ASN D 1 189 ? 60.280 -11.432 4.028 1.00 21.87 ? 189 ASN D OD1 1 ATOM 6584 N ND2 . ASN D 1 189 ? 59.908 -11.605 1.832 1.00 20.02 ? 189 ASN D ND2 1 ATOM 6585 N N . TYR D 1 190 ? 58.143 -10.310 6.382 1.00 10.19 ? 190 TYR D N 1 ATOM 6586 C CA . TYR D 1 190 ? 57.925 -9.007 7.007 1.00 10.57 ? 190 TYR D CA 1 ATOM 6587 C C . TYR D 1 190 ? 59.228 -8.471 7.569 1.00 10.39 ? 190 TYR D C 1 ATOM 6588 O O . TYR D 1 190 ? 60.215 -9.224 7.743 1.00 11.65 ? 190 TYR D O 1 ATOM 6589 C CB . TYR D 1 190 ? 56.866 -9.083 8.140 1.00 11.00 ? 190 TYR D CB 1 ATOM 6590 C CG . TYR D 1 190 ? 57.314 -9.977 9.284 1.00 11.64 ? 190 TYR D CG 1 ATOM 6591 C CD1 . TYR D 1 190 ? 57.057 -11.347 9.268 1.00 13.55 ? 190 TYR D CD1 1 ATOM 6592 C CD2 . TYR D 1 190 ? 58.020 -9.456 10.365 1.00 12.51 ? 190 TYR D CD2 1 ATOM 6593 C CE1 . TYR D 1 190 ? 57.474 -12.161 10.278 1.00 15.10 ? 190 TYR D CE1 1 ATOM 6594 C CE2 . TYR D 1 190 ? 58.459 -10.280 11.387 1.00 14.60 ? 190 TYR D CE2 1 ATOM 6595 C CZ . TYR D 1 190 ? 58.195 -11.639 11.323 1.00 16.00 ? 190 TYR D CZ 1 ATOM 6596 O OH . TYR D 1 190 ? 58.616 -12.484 12.324 1.00 18.86 ? 190 TYR D OH 1 ATOM 6597 N N . GLU D 1 191 ? 59.221 -7.169 7.851 1.00 10.92 ? 191 GLU D N 1 ATOM 6598 C CA . GLU D 1 191 ? 60.316 -6.491 8.539 1.00 11.70 ? 191 GLU D CA 1 ATOM 6599 C C . GLU D 1 191 ? 59.746 -5.630 9.642 1.00 9.84 ? 191 GLU D C 1 ATOM 6600 O O . GLU D 1 191 ? 58.950 -4.742 9.387 1.00 9.97 ? 191 GLU D O 1 ATOM 6601 C CB . GLU D 1 191 ? 61.092 -5.577 7.595 1.00 14.75 ? 191 GLU D CB 1 ATOM 6602 C CG . GLU D 1 191 ? 61.569 -6.237 6.327 1.00 18.89 ? 191 GLU D CG 1 ATOM 6603 C CD . GLU D 1 191 ? 62.120 -5.239 5.323 1.00 22.35 ? 191 GLU D CD 1 ATOM 6604 O OE1 . GLU D 1 191 ? 61.631 -4.082 5.264 1.00 22.63 ? 191 GLU D OE1 1 ATOM 6605 O OE2 . GLU D 1 191 ? 63.056 -5.621 4.598 1.00 24.51 ? 191 GLU D OE2 1 ATOM 6606 N N . ILE D 1 192 ? 60.193 -5.876 10.862 1.00 9.47 ? 192 ILE D N 1 ATOM 6607 C CA . ILE D 1 192 ? 59.821 -5.047 11.986 1.00 9.55 ? 192 ILE D CA 1 ATOM 6608 C C . ILE D 1 192 ? 60.779 -3.859 12.073 1.00 10.04 ? 192 ILE D C 1 ATOM 6609 O O . ILE D 1 192 ? 62.000 -4.024 11.979 1.00 11.14 ? 192 ILE D O 1 ATOM 6610 C CB . ILE D 1 192 ? 59.858 -5.849 13.299 1.00 10.41 ? 192 ILE D CB 1 ATOM 6611 C CG1 . ILE D 1 192 ? 58.622 -6.741 13.392 1.00 11.48 ? 192 ILE D CG1 1 ATOM 6612 C CG2 . ILE D 1 192 ? 59.932 -4.917 14.495 1.00 10.47 ? 192 ILE D CG2 1 ATOM 6613 C CD1 . ILE D 1 192 ? 58.637 -7.637 14.583 1.00 11.85 ? 192 ILE D CD1 1 ATOM 6614 N N . ARG D 1 193 ? 60.209 -2.673 12.262 1.00 10.30 ? 193 ARG D N 1 ATOM 6615 C CA . ARG D 1 193 ? 60.964 -1.449 12.477 1.00 10.76 ? 193 ARG D CA 1 ATOM 6616 C C . ARG D 1 193 ? 60.433 -0.750 13.731 1.00 9.90 ? 193 ARG D C 1 ATOM 6617 O O . ARG D 1 193 ? 59.230 -0.636 13.930 1.00 10.00 ? 193 ARG D O 1 ATOM 6618 C CB . ARG D 1 193 ? 60.810 -0.525 11.270 1.00 12.83 ? 193 ARG D CB 1 ATOM 6619 C CG . ARG D 1 193 ? 61.389 -1.089 9.954 1.00 15.90 ? 193 ARG D CG 1 ATOM 6620 C CD . ARG D 1 193 ? 62.892 -1.239 10.047 1.00 19.43 ? 193 ARG D CD 1 ATOM 6621 N NE . ARG D 1 193 ? 63.479 -1.810 8.835 1.00 22.74 ? 193 ARG D NE 1 ATOM 6622 C CZ . ARG D 1 193 ? 63.790 -3.094 8.670 1.00 24.91 ? 193 ARG D CZ 1 ATOM 6623 N NH1 . ARG D 1 193 ? 63.562 -3.978 9.634 1.00 25.68 ? 193 ARG D NH1 1 ATOM 6624 N NH2 . ARG D 1 193 ? 64.331 -3.499 7.524 1.00 25.89 ? 193 ARG D NH2 1 ATOM 6625 N N . GLY D 1 194 ? 61.326 -0.311 14.602 1.00 10.10 ? 194 GLY D N 1 ATOM 6626 C CA . GLY D 1 194 ? 60.918 0.263 15.867 1.00 9.54 ? 194 GLY D CA 1 ATOM 6627 C C . GLY D 1 194 ? 60.342 -0.781 16.814 1.00 9.42 ? 194 GLY D C 1 ATOM 6628 O O . GLY D 1 194 ? 60.732 -1.951 16.806 1.00 11.05 ? 194 GLY D O 1 ATOM 6629 N N . TYR D 1 195 ? 59.423 -0.325 17.650 1.00 8.72 ? 195 TYR D N 1 ATOM 6630 C CA . TYR D 1 195 ? 58.895 -1.099 18.751 1.00 8.07 ? 195 TYR D CA 1 ATOM 6631 C C . TYR D 1 195 ? 57.630 -1.833 18.326 1.00 7.85 ? 195 TYR D C 1 ATOM 6632 O O . TYR D 1 195 ? 56.539 -1.286 18.373 1.00 8.15 ? 195 TYR D O 1 ATOM 6633 C CB . TYR D 1 195 ? 58.624 -0.157 19.913 1.00 8.27 ? 195 TYR D CB 1 ATOM 6634 C CG . TYR D 1 195 ? 58.271 -0.813 21.238 1.00 8.01 ? 195 TYR D CG 1 ATOM 6635 C CD1 . TYR D 1 195 ? 58.780 -2.051 21.620 1.00 8.31 ? 195 TYR D CD1 1 ATOM 6636 C CD2 . TYR D 1 195 ? 57.419 -0.163 22.121 1.00 7.94 ? 195 TYR D CD2 1 ATOM 6637 C CE1 . TYR D 1 195 ? 58.450 -2.605 22.865 1.00 7.82 ? 195 TYR D CE1 1 ATOM 6638 C CE2 . TYR D 1 195 ? 57.111 -0.693 23.341 1.00 7.68 ? 195 TYR D CE2 1 ATOM 6639 C CZ . TYR D 1 195 ? 57.616 -1.916 23.702 1.00 6.63 ? 195 TYR D CZ 1 ATOM 6640 O OH . TYR D 1 195 ? 57.269 -2.431 24.919 1.00 7.29 ? 195 TYR D OH 1 ATOM 6641 N N . VAL D 1 196 ? 57.820 -3.071 17.889 1.00 7.38 ? 196 VAL D N 1 ATOM 6642 C CA . VAL D 1 196 ? 56.741 -3.993 17.550 1.00 6.35 ? 196 VAL D CA 1 ATOM 6643 C C . VAL D 1 196 ? 57.149 -5.342 18.106 1.00 6.63 ? 196 VAL D C 1 ATOM 6644 O O . VAL D 1 196 ? 58.271 -5.792 17.890 1.00 8.17 ? 196 VAL D O 1 ATOM 6645 C CB . VAL D 1 196 ? 56.512 -4.113 16.002 1.00 7.24 ? 196 VAL D CB 1 ATOM 6646 C CG1 . VAL D 1 196 ? 55.234 -4.939 15.715 1.00 7.57 ? 196 VAL D CG1 1 ATOM 6647 C CG2 . VAL D 1 196 ? 56.408 -2.751 15.341 1.00 8.74 ? 196 VAL D CG2 1 ATOM 6648 N N . ILE D 1 197 ? 56.237 -5.969 18.829 1.00 5.74 ? 197 ILE D N 1 ATOM 6649 C CA . ILE D 1 197 ? 56.539 -7.221 19.528 1.00 5.80 ? 197 ILE D CA 1 ATOM 6650 C C . ILE D 1 197 ? 55.587 -8.317 19.035 1.00 5.93 ? 197 ILE D C 1 ATOM 6651 O O . ILE D 1 197 ? 54.400 -8.079 18.919 1.00 7.99 ? 197 ILE D O 1 ATOM 6652 C CB . ILE D 1 197 ? 56.351 -7.067 21.061 1.00 6.82 ? 197 ILE D CB 1 ATOM 6653 C CG1 . ILE D 1 197 ? 57.239 -5.949 21.629 1.00 7.03 ? 197 ILE D CG1 1 ATOM 6654 C CG2 . ILE D 1 197 ? 56.654 -8.391 21.776 1.00 8.14 ? 197 ILE D CG2 1 ATOM 6655 C CD1 . ILE D 1 197 ? 58.715 -6.183 21.495 1.00 8.28 ? 197 ILE D CD1 1 ATOM 6656 N N . ILE D 1 198 ? 56.101 -9.510 18.763 1.00 5.77 ? 198 ILE D N 1 ATOM 6657 C CA . ILE D 1 198 ? 55.257 -10.640 18.406 1.00 7.05 ? 198 ILE D CA 1 ATOM 6658 C C . ILE D 1 198 ? 54.877 -11.385 19.686 1.00 6.80 ? 198 ILE D C 1 ATOM 6659 O O . ILE D 1 198 ? 55.748 -11.753 20.478 1.00 7.68 ? 198 ILE D O 1 ATOM 6660 C CB . ILE D 1 198 ? 55.979 -11.581 17.430 1.00 8.33 ? 198 ILE D CB 1 ATOM 6661 C CG1 . ILE D 1 198 ? 56.318 -10.798 16.159 1.00 10.12 ? 198 ILE D CG1 1 ATOM 6662 C CG2 . ILE D 1 198 ? 55.114 -12.802 17.136 1.00 8.16 ? 198 ILE D CG2 1 ATOM 6663 C CD1 . ILE D 1 198 ? 57.151 -11.549 15.165 1.00 11.12 ? 198 ILE D CD1 1 ATOM 6664 N N . LYS D 1 199 ? 53.574 -11.587 19.890 1.00 6.44 ? 199 LYS D N 1 ATOM 6665 C CA . LYS D 1 199 ? 53.049 -12.289 21.055 1.00 6.39 ? 199 LYS D CA 1 ATOM 6666 C C . LYS D 1 199 ? 51.988 -13.274 20.635 1.00 6.38 ? 199 LYS D C 1 ATOM 6667 O O . LYS D 1 199 ? 51.393 -13.145 19.572 1.00 6.57 ? 199 LYS D O 1 ATOM 6668 C CB . LYS D 1 199 ? 52.409 -11.307 22.033 1.00 8.52 ? 199 LYS D CB 1 ATOM 6669 C CG . LYS D 1 199 ? 53.401 -10.483 22.870 1.00 10.30 ? 199 LYS D CG 1 ATOM 6670 C CD . LYS D 1 199 ? 54.257 -11.411 23.731 1.00 14.38 ? 199 LYS D CD 1 ATOM 6671 C CE . LYS D 1 199 ? 55.153 -10.693 24.736 1.00 17.18 ? 199 LYS D CE 1 ATOM 6672 N NZ . LYS D 1 199 ? 56.117 -11.686 25.332 1.00 19.72 ? 199 LYS D NZ 1 ATOM 6673 N N . PRO D 1 200 ? 51.702 -14.247 21.504 1.00 7.60 ? 200 PRO D N 1 ATOM 6674 C CA . PRO D 1 200 ? 50.544 -15.107 21.225 1.00 7.68 ? 200 PRO D CA 1 ATOM 6675 C C . PRO D 1 200 ? 49.248 -14.316 21.190 1.00 8.08 ? 200 PRO D C 1 ATOM 6676 O O . PRO D 1 200 ? 49.094 -13.323 21.914 1.00 8.90 ? 200 PRO D O 1 ATOM 6677 C CB . PRO D 1 200 ? 50.536 -16.075 22.408 1.00 9.74 ? 200 PRO D CB 1 ATOM 6678 C CG . PRO D 1 200 ? 51.946 -16.072 22.886 1.00 10.24 ? 200 PRO D CG 1 ATOM 6679 C CD . PRO D 1 200 ? 52.422 -14.669 22.710 1.00 9.76 ? 200 PRO D CD 1 ATOM 6680 N N . LEU D 1 201 ? 48.329 -14.767 20.346 1.00 8.79 ? 201 LEU D N 1 ATOM 6681 C CA . LEU D 1 201 ? 46.976 -14.235 20.274 1.00 10.27 ? 201 LEU D CA 1 ATOM 6682 C C . LEU D 1 201 ? 46.168 -14.809 21.440 1.00 10.13 ? 201 LEU D C 1 ATOM 6683 O O . LEU D 1 201 ? 45.960 -16.024 21.529 1.00 13.27 ? 201 LEU D O 1 ATOM 6684 C CB . LEU D 1 201 ? 46.356 -14.664 18.933 1.00 11.70 ? 201 LEU D CB 1 ATOM 6685 C CG . LEU D 1 201 ? 44.864 -14.438 18.776 1.00 13.40 ? 201 LEU D CG 1 ATOM 6686 C CD1 . LEU D 1 201 ? 44.574 -12.973 18.818 1.00 12.53 ? 201 LEU D CD1 1 ATOM 6687 C CD2 . LEU D 1 201 ? 44.341 -15.065 17.493 1.00 14.93 ? 201 LEU D CD2 1 ATOM 6688 N N . VAL D 1 202 ? 45.715 -13.956 22.348 1.00 8.35 ? 202 VAL D N 1 ATOM 6689 C CA . VAL D 1 202 ? 44.980 -14.458 23.516 1.00 9.36 ? 202 VAL D CA 1 ATOM 6690 C C . VAL D 1 202 ? 43.530 -13.995 23.570 1.00 9.51 ? 202 VAL D C 1 ATOM 6691 O O . VAL D 1 202 ? 42.787 -14.400 24.475 1.00 10.28 ? 202 VAL D O 1 ATOM 6692 C CB . VAL D 1 202 ? 45.681 -14.057 24.827 1.00 10.53 ? 202 VAL D CB 1 ATOM 6693 C CG1 . VAL D 1 202 ? 47.124 -14.564 24.841 1.00 12.87 ? 202 VAL D CG1 1 ATOM 6694 C CG2 . VAL D 1 202 ? 45.581 -12.517 25.066 1.00 9.82 ? 202 VAL D CG2 1 ATOM 6695 N N . TRP D 1 203 ? 43.114 -13.193 22.596 1.00 9.61 ? 203 TRP D N 1 ATOM 6696 C CA . TRP D 1 203 ? 41.793 -12.564 22.625 1.00 10.85 ? 203 TRP D CA 1 ATOM 6697 C C . TRP D 1 203 ? 40.812 -13.096 21.588 1.00 16.89 ? 203 TRP D C 1 ATOM 6698 O O . TRP D 1 203 ? 39.684 -12.597 21.497 1.00 19.36 ? 203 TRP D O 1 ATOM 6699 C CB . TRP D 1 203 ? 41.908 -11.041 22.486 1.00 9.69 ? 203 TRP D CB 1 ATOM 6700 C CG . TRP D 1 203 ? 42.916 -10.540 21.484 1.00 7.71 ? 203 TRP D CG 1 ATOM 6701 C CD1 . TRP D 1 203 ? 44.208 -10.194 21.738 1.00 7.86 ? 203 TRP D CD1 1 ATOM 6702 C CD2 . TRP D 1 203 ? 42.703 -10.271 20.092 1.00 7.34 ? 203 TRP D CD2 1 ATOM 6703 N NE1 . TRP D 1 203 ? 44.818 -9.734 20.606 1.00 7.29 ? 203 TRP D NE1 1 ATOM 6704 C CE2 . TRP D 1 203 ? 43.916 -9.774 19.577 1.00 6.85 ? 203 TRP D CE2 1 ATOM 6705 C CE3 . TRP D 1 203 ? 41.613 -10.401 19.234 1.00 8.59 ? 203 TRP D CE3 1 ATOM 6706 C CZ2 . TRP D 1 203 ? 44.064 -9.403 18.257 1.00 7.56 ? 203 TRP D CZ2 1 ATOM 6707 C CZ3 . TRP D 1 203 ? 41.766 -10.030 17.915 1.00 9.05 ? 203 TRP D CZ3 1 ATOM 6708 C CH2 . TRP D 1 203 ? 42.985 -9.551 17.437 1.00 7.99 ? 203 TRP D CH2 1 ATOM 6709 N N . VAL D 1 204 ? 41.234 -14.066 20.798 1.00 20.92 ? 204 VAL D N 1 ATOM 6710 C CA . VAL D 1 204 ? 40.291 -14.845 19.994 1.00 27.21 ? 204 VAL D CA 1 ATOM 6711 C C . VAL D 1 204 ? 40.265 -16.272 20.519 1.00 31.82 ? 204 VAL D C 1 ATOM 6712 O O . VAL D 1 204 ? 39.625 -16.567 21.531 1.00 33.34 ? 204 VAL D O 1 ATOM 6713 C CB . VAL D 1 204 ? 40.695 -14.878 18.507 1.00 28.84 ? 204 VAL D CB 1 ATOM 6714 C CG1 . VAL D 1 204 ? 39.812 -15.844 17.712 1.00 29.98 ? 204 VAL D CG1 1 ATOM 6715 C CG2 . VAL D 1 204 ? 40.612 -13.497 17.922 1.00 29.01 ? 204 VAL D CG2 1 ATOM 6716 O OXT . VAL D 1 204 ? 40.908 -17.156 19.941 1.00 33.74 ? 204 VAL D OXT 1 ATOM 6717 N N . HIS E 1 1 ? 52.462 -14.063 59.687 1.00 26.16 ? 1 HIS E N 1 ATOM 6718 C CA . HIS E 1 1 ? 51.632 -13.899 58.464 1.00 25.48 ? 1 HIS E CA 1 ATOM 6719 C C . HIS E 1 1 ? 50.249 -14.475 58.732 1.00 21.58 ? 1 HIS E C 1 ATOM 6720 O O . HIS E 1 1 ? 50.038 -15.242 59.680 1.00 22.54 ? 1 HIS E O 1 ATOM 6721 C CB . HIS E 1 1 ? 52.288 -14.572 57.260 1.00 28.97 ? 1 HIS E CB 1 ATOM 6722 C CG . HIS E 1 1 ? 53.742 -14.234 57.111 1.00 32.83 ? 1 HIS E CG 1 ATOM 6723 N ND1 . HIS E 1 1 ? 54.374 -13.306 57.911 1.00 34.47 ? 1 HIS E ND1 1 ATOM 6724 C CD2 . HIS E 1 1 ? 54.687 -14.703 56.262 1.00 34.46 ? 1 HIS E CD2 1 ATOM 6725 C CE1 . HIS E 1 1 ? 55.644 -13.215 57.561 1.00 35.11 ? 1 HIS E CE1 1 ATOM 6726 N NE2 . HIS E 1 1 ? 55.860 -14.053 56.563 1.00 35.44 ? 1 HIS E NE2 1 ATOM 6727 N N . THR E 1 2 ? 49.304 -14.094 57.890 1.00 17.27 ? 2 THR E N 1 ATOM 6728 C CA . THR E 1 2 ? 47.893 -14.290 58.187 1.00 13.88 ? 2 THR E CA 1 ATOM 6729 C C . THR E 1 2 ? 47.177 -14.849 56.984 1.00 10.94 ? 2 THR E C 1 ATOM 6730 O O . THR E 1 2 ? 47.380 -14.389 55.870 1.00 9.51 ? 2 THR E O 1 ATOM 6731 C CB . THR E 1 2 ? 47.273 -12.933 58.555 1.00 15.85 ? 2 THR E CB 1 ATOM 6732 O OG1 . THR E 1 2 ? 47.969 -12.410 59.695 1.00 18.10 ? 2 THR E OG1 1 ATOM 6733 C CG2 . THR E 1 2 ? 45.803 -13.059 58.852 1.00 16.19 ? 2 THR E CG2 1 ATOM 6734 N N . ASP E 1 3 ? 46.314 -15.830 57.221 1.00 9.28 ? 3 ASP E N 1 ATOM 6735 C CA . ASP E 1 3 ? 45.447 -16.398 56.186 1.00 8.21 ? 3 ASP E CA 1 ATOM 6736 C C . ASP E 1 3 ? 44.170 -15.571 56.069 1.00 7.68 ? 3 ASP E C 1 ATOM 6737 O O . ASP E 1 3 ? 43.310 -15.603 56.945 1.00 8.66 ? 3 ASP E O 1 ATOM 6738 C CB . ASP E 1 3 ? 45.132 -17.847 56.533 1.00 9.03 ? 3 ASP E CB 1 ATOM 6739 C CG . ASP E 1 3 ? 44.240 -18.527 55.513 1.00 9.50 ? 3 ASP E CG 1 ATOM 6740 O OD1 . ASP E 1 3 ? 43.956 -17.926 54.447 1.00 9.35 ? 3 ASP E OD1 1 ATOM 6741 O OD2 . ASP E 1 3 ? 43.816 -19.678 55.790 1.00 11.94 ? 3 ASP E OD2 1 ATOM 6742 N N . LEU E 1 4 ? 44.064 -14.806 54.988 1.00 6.71 ? 4 LEU E N 1 ATOM 6743 C CA . LEU E 1 4 ? 42.898 -13.971 54.745 1.00 6.36 ? 4 LEU E CA 1 ATOM 6744 C C . LEU E 1 4 ? 41.887 -14.614 53.793 1.00 5.91 ? 4 LEU E C 1 ATOM 6745 O O . LEU E 1 4 ? 41.009 -13.916 53.288 1.00 6.03 ? 4 LEU E O 1 ATOM 6746 C CB . LEU E 1 4 ? 43.332 -12.602 54.219 1.00 7.33 ? 4 LEU E CB 1 ATOM 6747 C CG . LEU E 1 4 ? 44.067 -11.745 55.241 1.00 7.75 ? 4 LEU E CG 1 ATOM 6748 C CD1 . LEU E 1 4 ? 44.478 -10.420 54.568 1.00 9.24 ? 4 LEU E CD1 1 ATOM 6749 C CD2 . LEU E 1 4 ? 43.235 -11.500 56.474 1.00 8.49 ? 4 LEU E CD2 1 ATOM 6750 N N . SER E 1 5 ? 41.943 -15.944 53.614 1.00 6.67 ? 5 SER E N 1 ATOM 6751 C CA . SER E 1 5 ? 40.966 -16.650 52.777 1.00 6.39 ? 5 SER E CA 1 ATOM 6752 C C . SER E 1 5 ? 39.562 -16.252 53.171 1.00 6.77 ? 5 SER E C 1 ATOM 6753 O O . SER E 1 5 ? 39.222 -16.277 54.352 1.00 8.42 ? 5 SER E O 1 ATOM 6754 C CB . SER E 1 5 ? 41.093 -18.166 52.931 1.00 7.45 ? 5 SER E CB 1 ATOM 6755 O OG . SER E 1 5 ? 42.383 -18.600 52.560 1.00 9.19 ? 5 SER E OG 1 ATOM 6756 N N . GLY E 1 6 ? 38.737 -15.904 52.188 1.00 6.63 ? 6 GLY E N 1 ATOM 6757 C CA . GLY E 1 6 ? 37.356 -15.576 52.454 1.00 7.23 ? 6 GLY E CA 1 ATOM 6758 C C . GLY E 1 6 ? 37.110 -14.191 53.030 1.00 5.69 ? 6 GLY E C 1 ATOM 6759 O O . GLY E 1 6 ? 35.976 -13.887 53.398 1.00 6.79 ? 6 GLY E O 1 ATOM 6760 N N . LYS E 1 7 ? 38.150 -13.369 53.134 1.00 6.27 ? 7 LYS E N 1 ATOM 6761 C CA . LYS E 1 7 ? 38.072 -12.066 53.784 1.00 6.45 ? 7 LYS E CA 1 ATOM 6762 C C . LYS E 1 7 ? 38.568 -10.951 52.868 1.00 5.17 ? 7 LYS E C 1 ATOM 6763 O O . LYS E 1 7 ? 39.297 -11.186 51.906 1.00 6.01 ? 7 LYS E O 1 ATOM 6764 C CB . LYS E 1 7 ? 38.885 -12.047 55.072 1.00 8.99 ? 7 LYS E CB 1 ATOM 6765 C CG . LYS E 1 7 ? 38.429 -13.110 56.092 1.00 11.47 ? 7 LYS E CG 1 ATOM 6766 C CD . LYS E 1 7 ? 39.303 -13.129 57.322 1.00 15.01 ? 7 LYS E CD 1 ATOM 6767 C CE . LYS E 1 7 ? 38.729 -14.045 58.396 1.00 19.34 ? 7 LYS E CE 1 ATOM 6768 N NZ . LYS E 1 7 ? 38.306 -15.338 57.867 1.00 22.72 ? 7 LYS E NZ 1 ATOM 6769 N N . VAL E 1 8 ? 38.136 -9.735 53.173 1.00 4.52 ? 8 VAL E N 1 ATOM 6770 C CA . VAL E 1 8 ? 38.540 -8.519 52.475 1.00 4.20 ? 8 VAL E CA 1 ATOM 6771 C C . VAL E 1 8 ? 39.018 -7.482 53.467 1.00 3.79 ? 8 VAL E C 1 ATOM 6772 O O . VAL E 1 8 ? 38.626 -7.492 54.634 1.00 5.37 ? 8 VAL E O 1 ATOM 6773 C CB . VAL E 1 8 ? 37.382 -7.885 51.659 1.00 5.96 ? 8 VAL E CB 1 ATOM 6774 C CG1 . VAL E 1 8 ? 36.935 -8.784 50.544 1.00 8.04 ? 8 VAL E CG1 1 ATOM 6775 C CG2 . VAL E 1 8 ? 36.208 -7.570 52.544 1.00 5.56 ? 8 VAL E CG2 1 ATOM 6776 N N . PHE E 1 9 ? 39.867 -6.577 53.010 1.00 3.85 ? 9 PHE E N 1 ATOM 6777 C CA . PHE E 1 9 ? 40.066 -5.298 53.694 1.00 3.80 ? 9 PHE E CA 1 ATOM 6778 C C . PHE E 1 9 ? 38.978 -4.345 53.259 1.00 3.85 ? 9 PHE E C 1 ATOM 6779 O O . PHE E 1 9 ? 38.743 -4.174 52.063 1.00 4.76 ? 9 PHE E O 1 ATOM 6780 C CB . PHE E 1 9 ? 41.412 -4.646 53.323 1.00 4.80 ? 9 PHE E CB 1 ATOM 6781 C CG . PHE E 1 9 ? 42.623 -5.386 53.806 1.00 5.78 ? 9 PHE E CG 1 ATOM 6782 C CD1 . PHE E 1 9 ? 42.843 -5.582 55.155 1.00 6.91 ? 9 PHE E CD1 1 ATOM 6783 C CD2 . PHE E 1 9 ? 43.593 -5.792 52.919 1.00 6.59 ? 9 PHE E CD2 1 ATOM 6784 C CE1 . PHE E 1 9 ? 43.966 -6.248 55.599 1.00 8.01 ? 9 PHE E CE1 1 ATOM 6785 C CE2 . PHE E 1 9 ? 44.724 -6.474 53.361 1.00 7.45 ? 9 PHE E CE2 1 ATOM 6786 C CZ . PHE E 1 9 ? 44.900 -6.697 54.690 1.00 7.54 ? 9 PHE E CZ 1 ATOM 6787 N N . VAL E 1 10 ? 38.316 -3.732 54.233 1.00 3.81 ? 10 VAL E N 1 ATOM 6788 C CA . VAL E 1 10 ? 37.349 -2.663 53.994 1.00 4.07 ? 10 VAL E CA 1 ATOM 6789 C C . VAL E 1 10 ? 37.958 -1.336 54.417 1.00 3.81 ? 10 VAL E C 1 ATOM 6790 O O . VAL E 1 10 ? 38.343 -1.167 55.569 1.00 4.40 ? 10 VAL E O 1 ATOM 6791 C CB . VAL E 1 10 ? 36.039 -2.880 54.779 1.00 4.91 ? 10 VAL E CB 1 ATOM 6792 C CG1 . VAL E 1 10 ? 35.003 -1.837 54.376 1.00 5.55 ? 10 VAL E CG1 1 ATOM 6793 C CG2 . VAL E 1 10 ? 35.496 -4.305 54.564 1.00 5.92 ? 10 VAL E CG2 1 ATOM 6794 N N . PHE E 1 11 ? 38.063 -0.419 53.466 1.00 4.17 ? 11 PHE E N 1 ATOM 6795 C CA . PHE E 1 11 ? 38.451 0.962 53.682 1.00 4.00 ? 11 PHE E CA 1 ATOM 6796 C C . PHE E 1 11 ? 37.134 1.731 53.676 1.00 4.53 ? 11 PHE E C 1 ATOM 6797 O O . PHE E 1 11 ? 36.598 2.053 52.619 1.00 4.48 ? 11 PHE E O 1 ATOM 6798 C CB . PHE E 1 11 ? 39.375 1.420 52.532 1.00 4.82 ? 11 PHE E CB 1 ATOM 6799 C CG . PHE E 1 11 ? 40.609 0.576 52.390 1.00 5.76 ? 11 PHE E CG 1 ATOM 6800 C CD1 . PHE E 1 11 ? 40.579 -0.611 51.674 1.00 7.07 ? 11 PHE E CD1 1 ATOM 6801 C CD2 . PHE E 1 11 ? 41.797 0.937 53.015 1.00 7.04 ? 11 PHE E CD2 1 ATOM 6802 C CE1 . PHE E 1 11 ? 41.718 -1.404 51.561 1.00 8.07 ? 11 PHE E CE1 1 ATOM 6803 C CE2 . PHE E 1 11 ? 42.929 0.122 52.906 1.00 7.55 ? 11 PHE E CE2 1 ATOM 6804 C CZ . PHE E 1 11 ? 42.876 -1.035 52.192 1.00 7.69 ? 11 PHE E CZ 1 ATOM 6805 N N . PRO E 1 12 ? 36.558 2.001 54.866 1.00 4.47 ? 12 PRO E N 1 ATOM 6806 C CA . PRO E 1 12 ? 35.135 2.338 54.877 1.00 5.71 ? 12 PRO E CA 1 ATOM 6807 C C . PRO E 1 12 ? 34.808 3.797 54.682 1.00 4.79 ? 12 PRO E C 1 ATOM 6808 O O . PRO E 1 12 ? 33.633 4.121 54.660 1.00 5.88 ? 12 PRO E O 1 ATOM 6809 C CB . PRO E 1 12 ? 34.662 1.869 56.274 1.00 6.51 ? 12 PRO E CB 1 ATOM 6810 C CG . PRO E 1 12 ? 35.836 1.081 56.873 1.00 6.81 ? 12 PRO E CG 1 ATOM 6811 C CD . PRO E 1 12 ? 37.051 1.675 56.217 1.00 5.28 ? 12 PRO E CD 1 ATOM 6812 N N . ARG E 1 13 ? 35.813 4.660 54.579 1.00 5.73 ? 13 ARG E N 1 ATOM 6813 C CA . ARG E 1 13 ? 35.585 6.089 54.419 1.00 6.83 ? 13 ARG E CA 1 ATOM 6814 C C . ARG E 1 13 ? 36.764 6.692 53.696 1.00 6.87 ? 13 ARG E C 1 ATOM 6815 O O . ARG E 1 13 ? 37.845 6.105 53.651 1.00 7.82 ? 13 ARG E O 1 ATOM 6816 C CB . ARG E 1 13 ? 35.466 6.775 55.791 1.00 8.94 ? 13 ARG E CB 1 ATOM 6817 C CG . ARG E 1 13 ? 36.748 6.579 56.567 1.00 12.02 ? 13 ARG E CG 1 ATOM 6818 C CD . ARG E 1 13 ? 37.068 7.634 57.533 1.00 12.54 ? 13 ARG E CD 1 ATOM 6819 N NE . ARG E 1 13 ? 38.339 7.349 58.190 1.00 11.32 ? 13 ARG E NE 1 ATOM 6820 C CZ . ARG E 1 13 ? 38.709 7.834 59.360 1.00 12.94 ? 13 ARG E CZ 1 ATOM 6821 N NH1 . ARG E 1 13 ? 37.896 8.620 60.030 1.00 15.67 ? 13 ARG E NH1 1 ATOM 6822 N NH2 . ARG E 1 13 ? 39.886 7.502 59.857 1.00 13.16 ? 13 ARG E NH2 1 ATOM 6823 N N . GLU E 1 14 ? 36.555 7.886 53.169 1.00 6.37 ? 14 GLU E N 1 ATOM 6824 C CA . GLU E 1 14 ? 37.625 8.669 52.576 1.00 6.83 ? 14 GLU E CA 1 ATOM 6825 C C . GLU E 1 14 ? 38.483 9.320 53.644 1.00 7.06 ? 14 GLU E C 1 ATOM 6826 O O . GLU E 1 14 ? 37.974 9.890 54.614 1.00 8.20 ? 14 GLU E O 1 ATOM 6827 C CB . GLU E 1 14 ? 37.051 9.721 51.638 1.00 7.07 ? 14 GLU E CB 1 ATOM 6828 C CG . GLU E 1 14 ? 38.127 10.520 50.963 1.00 9.33 ? 14 GLU E CG 1 ATOM 6829 C CD . GLU E 1 14 ? 37.614 11.372 49.832 1.00 11.80 ? 14 GLU E CD 1 ATOM 6830 O OE1 . GLU E 1 14 ? 36.918 10.845 48.917 1.00 12.40 ? 14 GLU E OE1 1 ATOM 6831 O OE2 . GLU E 1 14 ? 37.929 12.588 49.853 1.00 13.21 ? 14 GLU E OE2 1 ATOM 6832 N N . SER E 1 15 ? 39.791 9.230 53.458 1.00 7.72 ? 15 SER E N 1 ATOM 6833 C CA . SER E 1 15 ? 40.749 9.803 54.399 1.00 7.84 ? 15 SER E CA 1 ATOM 6834 C C . SER E 1 15 ? 42.068 10.003 53.689 1.00 7.38 ? 15 SER E C 1 ATOM 6835 O O . SER E 1 15 ? 42.258 9.512 52.578 1.00 7.71 ? 15 SER E O 1 ATOM 6836 C CB . SER E 1 15 ? 40.961 8.857 55.580 1.00 8.21 ? 15 SER E CB 1 ATOM 6837 O OG . SER E 1 15 ? 41.805 7.785 55.205 1.00 8.82 ? 15 SER E OG 1 ATOM 6838 N N . VAL E 1 16 ? 42.989 10.678 54.367 1.00 8.07 ? 16 VAL E N 1 ATOM 6839 C CA . VAL E 1 16 ? 44.365 10.737 53.920 1.00 11.19 ? 16 VAL E CA 1 ATOM 6840 C C . VAL E 1 16 ? 45.226 9.775 54.765 1.00 13.42 ? 16 VAL E C 1 ATOM 6841 O O . VAL E 1 16 ? 46.408 9.660 54.519 1.00 17.46 ? 16 VAL E O 1 ATOM 6842 C CB . VAL E 1 16 ? 44.916 12.205 53.971 1.00 14.71 ? 16 VAL E CB 1 ATOM 6843 C CG1 . VAL E 1 16 ? 45.134 12.649 55.390 1.00 16.23 ? 16 VAL E CG1 1 ATOM 6844 C CG2 . VAL E 1 16 ? 46.192 12.341 53.161 1.00 16.56 ? 16 VAL E CG2 1 ATOM 6845 N N . THR E 1 17 ? 44.623 9.084 55.734 1.00 12.12 ? 17 THR E N 1 ATOM 6846 C CA . THR E 1 17 ? 45.339 8.294 56.755 1.00 13.03 ? 17 THR E CA 1 ATOM 6847 C C . THR E 1 17 ? 45.191 6.775 56.676 1.00 11.16 ? 17 THR E C 1 ATOM 6848 O O . THR E 1 17 ? 46.095 6.035 57.071 1.00 12.74 ? 17 THR E O 1 ATOM 6849 C CB . THR E 1 17 ? 44.815 8.655 58.188 1.00 16.36 ? 17 THR E CB 1 ATOM 6850 O OG1 . THR E 1 17 ? 43.380 8.500 58.241 1.00 17.74 ? 17 THR E OG1 1 ATOM 6851 C CG2 . THR E 1 17 ? 45.178 10.056 58.554 1.00 18.17 ? 17 THR E CG2 1 ATOM 6852 N N . ASP E 1 18 ? 44.022 6.312 56.258 1.00 8.90 ? 18 ASP E N 1 ATOM 6853 C CA . ASP E 1 18 ? 43.677 4.896 56.369 1.00 8.84 ? 18 ASP E CA 1 ATOM 6854 C C . ASP E 1 18 ? 44.418 4.129 55.287 1.00 7.23 ? 18 ASP E C 1 ATOM 6855 O O . ASP E 1 18 ? 44.300 4.464 54.120 1.00 7.10 ? 18 ASP E O 1 ATOM 6856 C CB . ASP E 1 18 ? 42.177 4.702 56.186 1.00 8.89 ? 18 ASP E CB 1 ATOM 6857 C CG . ASP E 1 18 ? 41.334 5.524 57.162 1.00 9.86 ? 18 ASP E CG 1 ATOM 6858 O OD1 . ASP E 1 18 ? 41.825 5.900 58.270 1.00 10.19 ? 18 ASP E OD1 1 ATOM 6859 O OD2 . ASP E 1 18 ? 40.154 5.765 56.814 1.00 10.15 ? 18 ASP E OD2 1 ATOM 6860 N N . HIS E 1 19 ? 45.183 3.111 55.666 1.00 5.33 ? 19 HIS E N 1 ATOM 6861 C CA . HIS E 1 19 ? 45.934 2.330 54.693 1.00 5.98 ? 19 HIS E CA 1 ATOM 6862 C C . HIS E 1 19 ? 46.409 1.025 55.266 1.00 5.81 ? 19 HIS E C 1 ATOM 6863 O O . HIS E 1 19 ? 46.380 0.828 56.482 1.00 6.15 ? 19 HIS E O 1 ATOM 6864 C CB . HIS E 1 19 ? 47.124 3.128 54.099 1.00 7.07 ? 19 HIS E CB 1 ATOM 6865 C CG . HIS E 1 19 ? 48.239 3.419 55.049 1.00 9.26 ? 19 HIS E CG 1 ATOM 6866 N ND1 . HIS E 1 19 ? 48.151 4.392 56.023 1.00 10.50 ? 19 HIS E ND1 1 ATOM 6867 C CD2 . HIS E 1 19 ? 49.491 2.906 55.145 1.00 10.41 ? 19 HIS E CD2 1 ATOM 6868 C CE1 . HIS E 1 19 ? 49.297 4.467 56.679 1.00 10.81 ? 19 HIS E CE1 1 ATOM 6869 N NE2 . HIS E 1 19 ? 50.127 3.573 56.170 1.00 11.74 ? 19 HIS E NE2 1 ATOM 6870 N N . VAL E 1 20 ? 46.802 0.106 54.386 1.00 5.61 ? 20 VAL E N 1 ATOM 6871 C CA . VAL E 1 20 ? 47.439 -1.136 54.790 1.00 5.53 ? 20 VAL E CA 1 ATOM 6872 C C . VAL E 1 20 ? 48.815 -1.196 54.161 1.00 5.68 ? 20 VAL E C 1 ATOM 6873 O O . VAL E 1 20 ? 48.962 -0.983 52.966 1.00 6.61 ? 20 VAL E O 1 ATOM 6874 C CB . VAL E 1 20 ? 46.631 -2.365 54.326 1.00 6.11 ? 20 VAL E CB 1 ATOM 6875 C CG1 . VAL E 1 20 ? 47.332 -3.655 54.749 1.00 8.21 ? 20 VAL E CG1 1 ATOM 6876 C CG2 . VAL E 1 20 ? 45.208 -2.341 54.894 1.00 6.87 ? 20 VAL E CG2 1 ATOM 6877 N N . ASN E 1 21 ? 49.828 -1.478 54.975 1.00 6.23 ? 21 ASN E N 1 ATOM 6878 C CA . ASN E 1 21 ? 51.180 -1.728 54.485 1.00 7.67 ? 21 ASN E CA 1 ATOM 6879 C C . ASN E 1 21 ? 51.344 -3.216 54.249 1.00 7.38 ? 21 ASN E C 1 ATOM 6880 O O . ASN E 1 21 ? 51.013 -4.033 55.123 1.00 8.29 ? 21 ASN E O 1 ATOM 6881 C CB . ASN E 1 21 ? 52.213 -1.285 55.523 1.00 9.84 ? 21 ASN E CB 1 ATOM 6882 C CG . ASN E 1 21 ? 52.231 0.205 55.731 1.00 14.35 ? 21 ASN E CG 1 ATOM 6883 O OD1 . ASN E 1 21 ? 51.983 0.975 54.812 1.00 16.33 ? 21 ASN E OD1 1 ATOM 6884 N ND2 . ASN E 1 21 ? 52.532 0.620 56.940 1.00 16.96 ? 21 ASN E ND2 1 ATOM 6885 N N . LEU E 1 22 ? 51.846 -3.583 53.077 1.00 7.35 ? 22 LEU E N 1 ATOM 6886 C CA . LEU E 1 22 ? 52.105 -4.985 52.767 1.00 8.65 ? 22 LEU E CA 1 ATOM 6887 C C . LEU E 1 22 ? 53.598 -5.218 52.768 1.00 10.80 ? 22 LEU E C 1 ATOM 6888 O O . LEU E 1 22 ? 54.354 -4.483 52.119 1.00 11.14 ? 22 LEU E O 1 ATOM 6889 C CB . LEU E 1 22 ? 51.549 -5.369 51.399 1.00 8.36 ? 22 LEU E CB 1 ATOM 6890 C CG . LEU E 1 22 ? 50.042 -5.143 51.222 1.00 8.55 ? 22 LEU E CG 1 ATOM 6891 C CD1 . LEU E 1 22 ? 49.573 -5.560 49.855 1.00 9.39 ? 22 LEU E CD1 1 ATOM 6892 C CD2 . LEU E 1 22 ? 49.211 -5.864 52.267 1.00 8.81 ? 22 LEU E CD2 1 ATOM 6893 N N A ILE E 1 23 ? 54.022 -6.257 53.480 0.30 12.44 ? 23 ILE E N 1 ATOM 6894 N N B ILE E 1 23 ? 54.025 -6.245 53.494 0.70 11.96 ? 23 ILE E N 1 ATOM 6895 C CA A ILE E 1 23 ? 55.437 -6.550 53.672 0.30 15.10 ? 23 ILE E CA 1 ATOM 6896 C CA B ILE E 1 23 ? 55.442 -6.550 53.637 0.70 14.98 ? 23 ILE E CA 1 ATOM 6897 C C A ILE E 1 23 ? 55.860 -7.778 52.869 0.30 15.74 ? 23 ILE E C 1 ATOM 6898 C C B ILE E 1 23 ? 55.830 -7.769 52.822 0.70 15.57 ? 23 ILE E C 1 ATOM 6899 O O A ILE E 1 23 ? 55.294 -8.853 53.027 0.30 14.92 ? 23 ILE E O 1 ATOM 6900 O O B ILE E 1 23 ? 55.220 -8.818 52.917 0.70 14.62 ? 23 ILE E O 1 ATOM 6901 C CB A ILE E 1 23 ? 55.730 -6.797 55.164 0.30 17.25 ? 23 ILE E CB 1 ATOM 6902 C CB B ILE E 1 23 ? 55.800 -6.802 55.101 0.70 17.52 ? 23 ILE E CB 1 ATOM 6903 C CG1 A ILE E 1 23 ? 55.227 -5.618 56.004 0.30 18.18 ? 23 ILE E CG1 1 ATOM 6904 C CG1 B ILE E 1 23 ? 55.401 -5.597 55.953 0.70 18.55 ? 23 ILE E CG1 1 ATOM 6905 C CG2 A ILE E 1 23 ? 57.213 -7.028 55.389 0.30 17.98 ? 23 ILE E CG2 1 ATOM 6906 C CG2 B ILE E 1 23 ? 57.282 -7.095 55.243 0.70 18.52 ? 23 ILE E CG2 1 ATOM 6907 C CD1 A ILE E 1 23 ? 55.254 -5.869 57.510 0.30 18.77 ? 23 ILE E CD1 1 ATOM 6908 C CD1 B ILE E 1 23 ? 56.181 -4.348 55.642 0.70 19.55 ? 23 ILE E CD1 1 ATOM 6909 N N . THR E 1 24 ? 56.853 -7.617 52.000 1.00 17.79 ? 24 THR E N 1 ATOM 6910 C CA . THR E 1 24 ? 57.371 -8.742 51.236 1.00 22.63 ? 24 THR E CA 1 ATOM 6911 C C . THR E 1 24 ? 58.862 -8.815 51.520 1.00 27.13 ? 24 THR E C 1 ATOM 6912 O O . THR E 1 24 ? 59.493 -7.786 51.734 1.00 27.23 ? 24 THR E O 1 ATOM 6913 C CB . THR E 1 24 ? 57.106 -8.591 49.732 1.00 22.74 ? 24 THR E CB 1 ATOM 6914 O OG1 . THR E 1 24 ? 57.593 -9.748 49.038 1.00 22.56 ? 24 THR E OG1 1 ATOM 6915 C CG2 . THR E 1 24 ? 57.804 -7.356 49.184 1.00 23.11 ? 24 THR E CG2 1 ATOM 6916 N N . PRO E 1 25 ? 59.419 -10.030 51.556 1.00 31.68 ? 25 PRO E N 1 ATOM 6917 C CA . PRO E 1 25 ? 60.875 -10.201 51.667 1.00 33.86 ? 25 PRO E CA 1 ATOM 6918 C C . PRO E 1 25 ? 61.592 -10.018 50.322 1.00 35.02 ? 25 PRO E C 1 ATOM 6919 O O . PRO E 1 25 ? 62.519 -10.770 50.017 1.00 35.47 ? 25 PRO E O 1 ATOM 6920 C CB . PRO E 1 25 ? 61.014 -11.641 52.171 1.00 33.99 ? 25 PRO E CB 1 ATOM 6921 C CG . PRO E 1 25 ? 59.792 -12.336 51.654 1.00 33.61 ? 25 PRO E CG 1 ATOM 6922 C CD . PRO E 1 25 ? 58.697 -11.313 51.628 1.00 32.89 ? 25 PRO E CD 1 ATOM 6923 N N . LEU E 1 26 ? 61.185 -9.017 49.542 1.00 35.35 ? 26 LEU E N 1 ATOM 6924 C CA . LEU E 1 26 ? 61.697 -8.851 48.184 1.00 35.43 ? 26 LEU E CA 1 ATOM 6925 C C . LEU E 1 26 ? 62.954 -7.997 48.146 1.00 35.03 ? 26 LEU E C 1 ATOM 6926 O O . LEU E 1 26 ? 62.896 -6.771 48.295 1.00 35.43 ? 26 LEU E O 1 ATOM 6927 C CB . LEU E 1 26 ? 60.634 -8.207 47.286 1.00 36.17 ? 26 LEU E CB 1 ATOM 6928 C CG . LEU E 1 26 ? 61.047 -8.063 45.819 1.00 36.81 ? 26 LEU E CG 1 ATOM 6929 C CD1 . LEU E 1 26 ? 61.267 -9.438 45.192 1.00 36.87 ? 26 LEU E CD1 1 ATOM 6930 C CD2 . LEU E 1 26 ? 60.014 -7.262 45.043 1.00 37.15 ? 26 LEU E CD2 1 ATOM 6931 N N . GLU E 1 27 ? 64.097 -8.631 47.922 1.00 34.32 ? 27 GLU E N 1 ATOM 6932 C CA . GLU E 1 27 ? 65.328 -7.871 47.869 1.00 34.15 ? 27 GLU E CA 1 ATOM 6933 C C . GLU E 1 27 ? 65.920 -7.771 46.469 1.00 31.41 ? 27 GLU E C 1 ATOM 6934 O O . GLU E 1 27 ? 66.864 -7.015 46.253 1.00 32.83 ? 27 GLU E O 1 ATOM 6935 C CB . GLU E 1 27 ? 66.353 -8.446 48.843 1.00 36.99 ? 27 GLU E CB 1 ATOM 6936 C CG . GLU E 1 27 ? 67.034 -7.369 49.679 1.00 39.86 ? 27 GLU E CG 1 ATOM 6937 C CD . GLU E 1 27 ? 68.152 -7.922 50.552 1.00 42.16 ? 27 GLU E CD 1 ATOM 6938 O OE1 . GLU E 1 27 ? 69.131 -8.469 49.994 1.00 42.93 ? 27 GLU E OE1 1 ATOM 6939 O OE2 . GLU E 1 27 ? 68.046 -7.807 51.793 1.00 43.03 ? 27 GLU E OE2 1 ATOM 6940 N N A LYS E 1 28 ? 65.351 -8.501 45.518 0.36 29.40 ? 28 LYS E N 1 ATOM 6941 N N B LYS E 1 28 ? 65.382 -8.529 45.518 0.64 29.29 ? 28 LYS E N 1 ATOM 6942 C CA A LYS E 1 28 ? 65.888 -8.501 44.165 0.36 27.75 ? 28 LYS E CA 1 ATOM 6943 C CA B LYS E 1 28 ? 65.923 -8.480 44.166 0.64 27.74 ? 28 LYS E CA 1 ATOM 6944 C C A LYS E 1 28 ? 64.974 -7.765 43.190 0.36 24.43 ? 28 LYS E C 1 ATOM 6945 C C B LYS E 1 28 ? 64.986 -7.747 43.211 0.64 24.39 ? 28 LYS E C 1 ATOM 6946 O O A LYS E 1 28 ? 63.762 -7.980 43.173 0.36 24.43 ? 28 LYS E O 1 ATOM 6947 O O B LYS E 1 28 ? 63.771 -7.940 43.231 0.64 24.51 ? 28 LYS E O 1 ATOM 6948 C CB A LYS E 1 28 ? 66.150 -9.931 43.703 0.36 29.66 ? 28 LYS E CB 1 ATOM 6949 C CB B LYS E 1 28 ? 66.275 -9.874 43.639 0.64 29.95 ? 28 LYS E CB 1 ATOM 6950 C CG A LYS E 1 28 ? 67.227 -10.612 44.536 0.36 31.05 ? 28 LYS E CG 1 ATOM 6951 C CG B LYS E 1 28 ? 65.102 -10.777 43.334 0.64 31.47 ? 28 LYS E CG 1 ATOM 6952 C CD A LYS E 1 28 ? 67.556 -12.005 44.033 0.36 32.40 ? 28 LYS E CD 1 ATOM 6953 C CD B LYS E 1 28 ? 65.569 -12.066 42.660 0.64 32.91 ? 28 LYS E CD 1 ATOM 6954 C CE A LYS E 1 28 ? 68.705 -12.619 44.817 0.36 33.46 ? 28 LYS E CE 1 ATOM 6955 C CE B LYS E 1 28 ? 66.461 -12.884 43.584 0.64 33.86 ? 28 LYS E CE 1 ATOM 6956 N NZ A LYS E 1 28 ? 69.113 -13.941 44.268 0.36 33.94 ? 28 LYS E NZ 1 ATOM 6957 N NZ B LYS E 1 28 ? 66.727 -14.270 43.079 0.64 34.55 ? 28 LYS E NZ 1 ATOM 6958 N N . PRO E 1 29 ? 65.556 -6.873 42.380 1.00 21.50 ? 29 PRO E N 1 ATOM 6959 C CA . PRO E 1 29 ? 64.723 -6.149 41.424 1.00 17.80 ? 29 PRO E CA 1 ATOM 6960 C C . PRO E 1 29 ? 63.954 -7.106 40.508 1.00 15.52 ? 29 PRO E C 1 ATOM 6961 O O . PRO E 1 29 ? 64.414 -8.217 40.209 1.00 17.00 ? 29 PRO E O 1 ATOM 6962 C CB . PRO E 1 29 ? 65.737 -5.321 40.636 1.00 17.88 ? 29 PRO E CB 1 ATOM 6963 C CG . PRO E 1 29 ? 66.887 -5.139 41.576 1.00 19.35 ? 29 PRO E CG 1 ATOM 6964 C CD . PRO E 1 29 ? 66.950 -6.397 42.386 1.00 20.50 ? 29 PRO E CD 1 ATOM 6965 N N . LEU E 1 30 ? 62.790 -6.654 40.068 1.00 11.90 ? 30 LEU E N 1 ATOM 6966 C CA . LEU E 1 30 ? 61.870 -7.491 39.305 1.00 11.41 ? 30 LEU E CA 1 ATOM 6967 C C . LEU E 1 30 ? 62.004 -7.236 37.822 1.00 10.34 ? 30 LEU E C 1 ATOM 6968 O O . LEU E 1 30 ? 61.891 -6.096 37.346 1.00 10.67 ? 30 LEU E O 1 ATOM 6969 C CB . LEU E 1 30 ? 60.407 -7.175 39.662 1.00 13.18 ? 30 LEU E CB 1 ATOM 6970 C CG . LEU E 1 30 ? 59.955 -7.489 41.075 1.00 15.68 ? 30 LEU E CG 1 ATOM 6971 C CD1 . LEU E 1 30 ? 58.601 -6.832 41.328 1.00 16.04 ? 30 LEU E CD1 1 ATOM 6972 C CD2 . LEU E 1 30 ? 59.872 -9.004 41.236 1.00 16.41 ? 30 LEU E CD2 1 ATOM 6973 N N . GLN E 1 31 ? 62.154 -8.327 37.103 1.00 10.04 ? 31 GLN E N 1 ATOM 6974 C CA . GLN E 1 31 ? 62.166 -8.316 35.656 1.00 11.03 ? 31 GLN E CA 1 ATOM 6975 C C . GLN E 1 31 ? 60.787 -8.678 35.098 1.00 9.06 ? 31 GLN E C 1 ATOM 6976 O O . GLN E 1 31 ? 60.412 -8.234 34.038 1.00 10.43 ? 31 GLN E O 1 ATOM 6977 C CB . GLN E 1 31 ? 63.206 -9.346 35.186 1.00 15.77 ? 31 GLN E CB 1 ATOM 6978 C CG . GLN E 1 31 ? 63.714 -9.118 33.800 1.00 19.43 ? 31 GLN E CG 1 ATOM 6979 C CD . GLN E 1 31 ? 64.934 -9.960 33.466 1.00 21.17 ? 31 GLN E CD 1 ATOM 6980 O OE1 . GLN E 1 31 ? 65.356 -10.838 34.235 1.00 20.43 ? 31 GLN E OE1 1 ATOM 6981 N NE2 . GLN E 1 31 ? 65.507 -9.694 32.315 1.00 22.80 ? 31 GLN E NE2 1 ATOM 6982 N N . ASN E 1 32 ? 60.053 -9.519 35.819 1.00 7.73 ? 32 ASN E N 1 ATOM 6983 C CA . ASN E 1 32 ? 58.739 -10.021 35.428 1.00 7.09 ? 32 ASN E CA 1 ATOM 6984 C C . ASN E 1 32 ? 57.861 -9.960 36.689 1.00 4.90 ? 32 ASN E C 1 ATOM 6985 O O . ASN E 1 32 ? 58.333 -10.248 37.790 1.00 6.88 ? 32 ASN E O 1 ATOM 6986 C CB . ASN E 1 32 ? 58.769 -11.508 35.002 1.00 9.04 ? 32 ASN E CB 1 ATOM 6987 C CG . ASN E 1 32 ? 59.370 -11.788 33.612 1.00 12.64 ? 32 ASN E CG 1 ATOM 6988 O OD1 . ASN E 1 32 ? 59.487 -10.937 32.765 1.00 13.15 ? 32 ASN E OD1 1 ATOM 6989 N ND2 . ASN E 1 32 ? 59.705 -13.072 33.397 1.00 15.46 ? 32 ASN E ND2 1 ATOM 6990 N N . PHE E 1 33 ? 56.595 -9.606 36.549 1.00 4.77 ? 33 PHE E N 1 ATOM 6991 C CA . PHE E 1 33 ? 55.650 -9.808 37.653 1.00 4.06 ? 33 PHE E CA 1 ATOM 6992 C C . PHE E 1 33 ? 54.233 -9.945 37.128 1.00 3.40 ? 33 PHE E C 1 ATOM 6993 O O . PHE E 1 33 ? 53.911 -9.501 36.022 1.00 4.21 ? 33 PHE E O 1 ATOM 6994 C CB . PHE E 1 33 ? 55.719 -8.684 38.719 1.00 5.80 ? 33 PHE E CB 1 ATOM 6995 C CG . PHE E 1 33 ? 55.109 -7.396 38.265 1.00 5.47 ? 33 PHE E CG 1 ATOM 6996 C CD1 . PHE E 1 33 ? 53.746 -7.171 38.385 1.00 5.61 ? 33 PHE E CD1 1 ATOM 6997 C CD2 . PHE E 1 33 ? 55.894 -6.425 37.664 1.00 7.01 ? 33 PHE E CD2 1 ATOM 6998 C CE1 . PHE E 1 33 ? 53.189 -5.978 37.919 1.00 6.96 ? 33 PHE E CE1 1 ATOM 6999 C CE2 . PHE E 1 33 ? 55.349 -5.248 37.220 1.00 7.72 ? 33 PHE E CE2 1 ATOM 7000 C CZ . PHE E 1 33 ? 53.991 -5.028 37.338 1.00 7.52 ? 33 PHE E CZ 1 ATOM 7001 N N . THR E 1 34 ? 53.370 -10.523 37.963 1.00 3.76 ? 34 THR E N 1 ATOM 7002 C CA . THR E 1 34 ? 51.924 -10.486 37.788 1.00 3.92 ? 34 THR E CA 1 ATOM 7003 C C . THR E 1 34 ? 51.310 -10.154 39.134 1.00 3.60 ? 34 THR E C 1 ATOM 7004 O O . THR E 1 34 ? 51.771 -10.644 40.156 1.00 4.56 ? 34 THR E O 1 ATOM 7005 C CB . THR E 1 34 ? 51.340 -11.838 37.314 1.00 4.87 ? 34 THR E CB 1 ATOM 7006 O OG1 . THR E 1 34 ? 52.011 -12.275 36.128 1.00 5.74 ? 34 THR E OG1 1 ATOM 7007 C CG2 . THR E 1 34 ? 49.861 -11.725 36.983 1.00 5.60 ? 34 THR E CG2 1 ATOM 7008 N N . LEU E 1 35 ? 50.297 -9.313 39.117 1.00 3.39 ? 35 LEU E N 1 ATOM 7009 C CA . LEU E 1 35 ? 49.559 -8.916 40.307 1.00 3.62 ? 35 LEU E CA 1 ATOM 7010 C C . LEU E 1 35 ? 48.085 -9.123 40.010 1.00 3.83 ? 35 LEU E C 1 ATOM 7011 O O . LEU E 1 35 ? 47.590 -8.665 38.993 1.00 4.81 ? 35 LEU E O 1 ATOM 7012 C CB . LEU E 1 35 ? 49.813 -7.422 40.569 1.00 5.48 ? 35 LEU E CB 1 ATOM 7013 C CG . LEU E 1 35 ? 48.950 -6.739 41.627 1.00 7.49 ? 35 LEU E CG 1 ATOM 7014 C CD1 . LEU E 1 35 ? 49.270 -7.326 43.006 1.00 7.63 ? 35 LEU E CD1 1 ATOM 7015 C CD2 . LEU E 1 35 ? 49.239 -5.248 41.642 1.00 8.76 ? 35 LEU E CD2 1 ATOM 7016 N N A CYS E 1 36 ? 47.363 -9.826 40.886 0.76 4.25 ? 36 CYS E N 1 ATOM 7017 N N B CYS E 1 36 ? 47.354 -9.754 40.911 0.24 4.77 ? 36 CYS E N 1 ATOM 7018 C CA A CYS E 1 36 ? 45.916 -10.052 40.741 0.76 4.84 ? 36 CYS E CA 1 ATOM 7019 C CA B CYS E 1 36 ? 45.917 -9.784 40.743 0.24 5.33 ? 36 CYS E CA 1 ATOM 7020 C C A CYS E 1 36 ? 45.240 -9.657 42.068 0.76 3.62 ? 36 CYS E C 1 ATOM 7021 C C B CYS E 1 36 ? 45.200 -9.731 42.064 0.24 4.36 ? 36 CYS E C 1 ATOM 7022 O O A CYS E 1 36 ? 45.832 -9.803 43.150 0.76 4.28 ? 36 CYS E O 1 ATOM 7023 O O B CYS E 1 36 ? 45.681 -10.215 43.092 0.24 4.50 ? 36 CYS E O 1 ATOM 7024 C CB A CYS E 1 36 ? 45.580 -11.525 40.407 0.76 7.04 ? 36 CYS E CB 1 ATOM 7025 C CB B CYS E 1 36 ? 45.470 -11.021 39.991 0.24 6.12 ? 36 CYS E CB 1 ATOM 7026 S SG A CYS E 1 36 ? 46.156 -12.231 38.827 0.76 9.54 ? 36 CYS E SG 1 ATOM 7027 S SG B CYS E 1 36 ? 45.422 -12.458 41.032 0.24 6.85 ? 36 CYS E SG 1 ATOM 7028 N N . PHE E 1 37 ? 44.021 -9.149 42.010 1.00 3.58 ? 37 PHE E N 1 ATOM 7029 C CA . PHE E 1 37 ? 43.215 -8.913 43.192 1.00 3.84 ? 37 PHE E CA 1 ATOM 7030 C C . PHE E 1 37 ? 41.786 -8.634 42.770 1.00 3.70 ? 37 PHE E C 1 ATOM 7031 O O . PHE E 1 37 ? 41.496 -8.411 41.589 1.00 4.25 ? 37 PHE E O 1 ATOM 7032 C CB . PHE E 1 37 ? 43.772 -7.736 44.030 1.00 4.31 ? 37 PHE E CB 1 ATOM 7033 C CG . PHE E 1 37 ? 43.954 -6.469 43.244 1.00 4.57 ? 37 PHE E CG 1 ATOM 7034 C CD1 . PHE E 1 37 ? 45.113 -6.242 42.552 1.00 6.56 ? 37 PHE E CD1 1 ATOM 7035 C CD2 . PHE E 1 37 ? 42.944 -5.546 43.142 1.00 6.27 ? 37 PHE E CD2 1 ATOM 7036 C CE1 . PHE E 1 37 ? 45.272 -5.102 41.806 1.00 7.88 ? 37 PHE E CE1 1 ATOM 7037 C CE2 . PHE E 1 37 ? 43.118 -4.398 42.409 1.00 7.95 ? 37 PHE E CE2 1 ATOM 7038 C CZ . PHE E 1 37 ? 44.270 -4.200 41.711 1.00 7.70 ? 37 PHE E CZ 1 ATOM 7039 N N . ARG E 1 38 ? 40.883 -8.640 43.742 1.00 4.08 ? 38 ARG E N 1 ATOM 7040 C CA . ARG E 1 38 ? 39.504 -8.271 43.522 1.00 4.96 ? 38 ARG E CA 1 ATOM 7041 C C . ARG E 1 38 ? 39.236 -6.982 44.257 1.00 3.98 ? 38 ARG E C 1 ATOM 7042 O O . ARG E 1 38 ? 39.730 -6.763 45.358 1.00 5.43 ? 38 ARG E O 1 ATOM 7043 C CB . ARG E 1 38 ? 38.560 -9.330 44.086 1.00 8.06 ? 38 ARG E CB 1 ATOM 7044 C CG . ARG E 1 38 ? 38.766 -10.698 43.584 1.00 10.34 ? 38 ARG E CG 1 ATOM 7045 C CD . ARG E 1 38 ? 37.722 -11.620 44.159 1.00 12.00 ? 38 ARG E CD 1 ATOM 7046 N NE . ARG E 1 38 ? 38.108 -12.962 43.821 1.00 12.64 ? 38 ARG E NE 1 ATOM 7047 C CZ . ARG E 1 38 ? 37.841 -13.549 42.670 1.00 13.81 ? 38 ARG E CZ 1 ATOM 7048 N NH1 . ARG E 1 38 ? 37.113 -12.938 41.757 1.00 13.68 ? 38 ARG E NH1 1 ATOM 7049 N NH2 . ARG E 1 38 ? 38.249 -14.788 42.468 1.00 15.94 ? 38 ARG E NH2 1 ATOM 7050 N N . ALA E 1 39 ? 38.414 -6.134 43.680 1.00 3.88 ? 39 ALA E N 1 ATOM 7051 C CA . ALA E 1 39 ? 38.069 -4.860 44.309 1.00 3.87 ? 39 ALA E CA 1 ATOM 7052 C C . ALA E 1 39 ? 36.614 -4.513 44.071 1.00 3.21 ? 39 ALA E C 1 ATOM 7053 O O . ALA E 1 39 ? 36.025 -4.858 43.046 1.00 5.02 ? 39 ALA E O 1 ATOM 7054 C CB . ALA E 1 39 ? 38.970 -3.730 43.786 1.00 4.85 ? 39 ALA E CB 1 ATOM 7055 N N . TYR E 1 40 ? 36.050 -3.762 45.004 1.00 3.25 ? 40 TYR E N 1 ATOM 7056 C CA . TYR E 1 40 ? 34.669 -3.325 44.895 1.00 3.51 ? 40 TYR E CA 1 ATOM 7057 C C . TYR E 1 40 ? 34.580 -1.935 45.502 1.00 3.60 ? 40 TYR E C 1 ATOM 7058 O O . TYR E 1 40 ? 34.782 -1.745 46.703 1.00 4.40 ? 40 TYR E O 1 ATOM 7059 C CB . TYR E 1 40 ? 33.763 -4.315 45.619 1.00 3.32 ? 40 TYR E CB 1 ATOM 7060 C CG . TYR E 1 40 ? 32.248 -4.149 45.424 1.00 3.48 ? 40 TYR E CG 1 ATOM 7061 C CD1 . TYR E 1 40 ? 31.689 -3.453 44.355 1.00 3.78 ? 40 TYR E CD1 1 ATOM 7062 C CD2 . TYR E 1 40 ? 31.370 -4.695 46.360 1.00 4.31 ? 40 TYR E CD2 1 ATOM 7063 C CE1 . TYR E 1 40 ? 30.311 -3.345 44.219 1.00 4.41 ? 40 TYR E CE1 1 ATOM 7064 C CE2 . TYR E 1 40 ? 30.001 -4.571 46.238 1.00 4.19 ? 40 TYR E CE2 1 ATOM 7065 C CZ . TYR E 1 40 ? 29.475 -3.913 45.155 1.00 4.47 ? 40 TYR E CZ 1 ATOM 7066 O OH . TYR E 1 40 ? 28.124 -3.804 45.020 1.00 5.57 ? 40 TYR E OH 1 ATOM 7067 N N . SER E 1 41 ? 34.320 -0.953 44.660 1.00 4.62 ? 41 SER E N 1 ATOM 7068 C CA . SER E 1 41 ? 34.270 0.450 45.082 1.00 4.83 ? 41 SER E CA 1 ATOM 7069 C C . SER E 1 41 ? 33.166 1.157 44.315 1.00 5.61 ? 41 SER E C 1 ATOM 7070 O O . SER E 1 41 ? 32.908 0.812 43.157 1.00 8.70 ? 41 SER E O 1 ATOM 7071 C CB . SER E 1 41 ? 35.609 1.139 44.781 1.00 4.69 ? 41 SER E CB 1 ATOM 7072 O OG . SER E 1 41 ? 35.564 2.537 45.054 1.00 4.98 ? 41 SER E OG 1 ATOM 7073 N N . ASP E 1 42 ? 32.511 2.153 44.923 1.00 4.57 ? 42 ASP E N 1 ATOM 7074 C CA . ASP E 1 42 ? 31.557 2.974 44.174 1.00 5.43 ? 42 ASP E CA 1 ATOM 7075 C C . ASP E 1 42 ? 32.029 4.409 44.026 1.00 6.23 ? 42 ASP E C 1 ATOM 7076 O O . ASP E 1 42 ? 31.247 5.299 43.738 1.00 6.99 ? 42 ASP E O 1 ATOM 7077 C CB . ASP E 1 42 ? 30.104 2.872 44.691 1.00 6.74 ? 42 ASP E CB 1 ATOM 7078 C CG . ASP E 1 42 ? 29.934 3.232 46.131 1.00 8.84 ? 42 ASP E CG 1 ATOM 7079 O OD1 . ASP E 1 42 ? 30.781 3.958 46.666 1.00 10.82 ? 42 ASP E OD1 1 ATOM 7080 O OD2 . ASP E 1 42 ? 28.896 2.806 46.732 1.00 8.65 ? 42 ASP E OD2 1 ATOM 7081 N N . LEU E 1 43 ? 33.333 4.616 44.121 1.00 5.72 ? 43 LEU E N 1 ATOM 7082 C CA . LEU E 1 43 ? 33.930 5.894 43.770 1.00 6.41 ? 43 LEU E CA 1 ATOM 7083 C C . LEU E 1 43 ? 33.874 6.120 42.263 1.00 7.77 ? 43 LEU E C 1 ATOM 7084 O O . LEU E 1 43 ? 34.099 5.197 41.486 1.00 9.38 ? 43 LEU E O 1 ATOM 7085 C CB . LEU E 1 43 ? 35.404 5.928 44.194 1.00 6.07 ? 43 LEU E CB 1 ATOM 7086 C CG . LEU E 1 43 ? 35.763 5.994 45.682 1.00 6.43 ? 43 LEU E CG 1 ATOM 7087 C CD1 . LEU E 1 43 ? 37.258 5.837 45.838 1.00 6.30 ? 43 LEU E CD1 1 ATOM 7088 C CD2 . LEU E 1 43 ? 35.271 7.311 46.306 1.00 7.12 ? 43 LEU E CD2 1 ATOM 7089 N N . SER E 1 44 ? 33.598 7.354 41.869 1.00 9.62 ? 44 SER E N 1 ATOM 7090 C CA . SER E 1 44 ? 33.710 7.759 40.476 1.00 10.96 ? 44 SER E CA 1 ATOM 7091 C C . SER E 1 44 ? 34.981 8.543 40.196 1.00 9.77 ? 44 SER E C 1 ATOM 7092 O O . SER E 1 44 ? 35.413 8.638 39.045 1.00 11.04 ? 44 SER E O 1 ATOM 7093 C CB . SER E 1 44 ? 32.507 8.625 40.068 1.00 14.08 ? 44 SER E CB 1 ATOM 7094 O OG . SER E 1 44 ? 31.338 7.849 40.011 1.00 17.57 ? 44 SER E OG 1 ATOM 7095 N N . ARG E 1 45 ? 35.549 9.165 41.220 1.00 8.58 ? 45 ARG E N 1 ATOM 7096 C CA . ARG E 1 45 ? 36.787 9.901 41.048 1.00 7.60 ? 45 ARG E CA 1 ATOM 7097 C C . ARG E 1 45 ? 37.909 8.889 40.896 1.00 7.90 ? 45 ARG E C 1 ATOM 7098 O O . ARG E 1 45 ? 37.703 7.687 41.058 1.00 7.52 ? 45 ARG E O 1 ATOM 7099 C CB . ARG E 1 45 ? 37.059 10.810 42.249 1.00 7.62 ? 45 ARG E CB 1 ATOM 7100 C CG . ARG E 1 45 ? 37.244 10.074 43.573 1.00 7.81 ? 45 ARG E CG 1 ATOM 7101 C CD . ARG E 1 45 ? 38.024 10.926 44.562 1.00 8.32 ? 45 ARG E CD 1 ATOM 7102 N NE . ARG E 1 45 ? 37.948 10.378 45.908 1.00 8.09 ? 45 ARG E NE 1 ATOM 7103 C CZ . ARG E 1 45 ? 38.696 9.360 46.330 1.00 6.45 ? 45 ARG E CZ 1 ATOM 7104 N NH1 . ARG E 1 45 ? 39.598 8.818 45.539 1.00 6.53 ? 45 ARG E NH1 1 ATOM 7105 N NH2 . ARG E 1 45 ? 38.551 8.887 47.548 1.00 6.68 ? 45 ARG E NH2 1 ATOM 7106 N N . ALA E 1 46 ? 39.090 9.384 40.576 1.00 8.62 ? 46 ALA E N 1 ATOM 7107 C CA . ALA E 1 46 ? 40.254 8.541 40.424 1.00 8.62 ? 46 ALA E CA 1 ATOM 7108 C C . ALA E 1 46 ? 40.710 7.958 41.754 1.00 7.31 ? 46 ALA E C 1 ATOM 7109 O O . ALA E 1 46 ? 40.486 8.540 42.824 1.00 8.56 ? 46 ALA E O 1 ATOM 7110 C CB . ALA E 1 46 ? 41.375 9.372 39.801 1.00 9.76 ? 46 ALA E CB 1 ATOM 7111 N N . TYR E 1 47 ? 41.346 6.796 41.690 1.00 6.06 ? 47 TYR E N 1 ATOM 7112 C CA . TYR E 1 47 ? 41.922 6.203 42.885 1.00 4.97 ? 47 TYR E CA 1 ATOM 7113 C C . TYR E 1 47 ? 43.021 5.220 42.579 1.00 6.07 ? 47 TYR E C 1 ATOM 7114 O O . TYR E 1 47 ? 43.050 4.600 41.526 1.00 6.63 ? 47 TYR E O 1 ATOM 7115 C CB . TYR E 1 47 ? 40.849 5.536 43.744 1.00 6.06 ? 47 TYR E CB 1 ATOM 7116 C CG . TYR E 1 47 ? 39.936 4.528 43.070 1.00 5.78 ? 47 TYR E CG 1 ATOM 7117 C CD1 . TYR E 1 47 ? 40.299 3.193 42.955 1.00 6.74 ? 47 TYR E CD1 1 ATOM 7118 C CD2 . TYR E 1 47 ? 38.719 4.921 42.562 1.00 6.60 ? 47 TYR E CD2 1 ATOM 7119 C CE1 . TYR E 1 47 ? 39.442 2.266 42.377 1.00 7.06 ? 47 TYR E CE1 1 ATOM 7120 C CE2 . TYR E 1 47 ? 37.849 4.017 41.976 1.00 6.84 ? 47 TYR E CE2 1 ATOM 7121 C CZ . TYR E 1 47 ? 38.214 2.690 41.899 1.00 7.25 ? 47 TYR E CZ 1 ATOM 7122 O OH . TYR E 1 47 ? 37.343 1.783 41.334 1.00 9.26 ? 47 TYR E OH 1 ATOM 7123 N N . SER E 1 48 ? 43.915 5.077 43.534 1.00 5.21 ? 48 SER E N 1 ATOM 7124 C CA . SER E 1 48 ? 44.961 4.080 43.493 1.00 5.29 ? 48 SER E CA 1 ATOM 7125 C C . SER E 1 48 ? 44.503 2.743 44.009 1.00 4.97 ? 48 SER E C 1 ATOM 7126 O O . SER E 1 48 ? 43.848 2.643 45.038 1.00 6.64 ? 48 SER E O 1 ATOM 7127 C CB . SER E 1 48 ? 46.120 4.561 44.378 1.00 6.59 ? 48 SER E CB 1 ATOM 7128 O OG . SER E 1 48 ? 47.191 3.643 44.360 1.00 8.22 ? 48 SER E OG 1 ATOM 7129 N N . LEU E 1 49 ? 44.845 1.700 43.280 1.00 4.55 ? 49 LEU E N 1 ATOM 7130 C CA . LEU E 1 49 ? 44.569 0.312 43.666 1.00 4.61 ? 49 LEU E CA 1 ATOM 7131 C C . LEU E 1 49 ? 45.742 -0.350 44.366 1.00 4.95 ? 49 LEU E C 1 ATOM 7132 O O . LEU E 1 49 ? 45.557 -1.086 45.313 1.00 6.26 ? 49 LEU E O 1 ATOM 7133 C CB . LEU E 1 49 ? 44.100 -0.518 42.464 1.00 6.57 ? 49 LEU E CB 1 ATOM 7134 C CG . LEU E 1 49 ? 42.687 -0.152 41.974 1.00 8.72 ? 49 LEU E CG 1 ATOM 7135 C CD1 . LEU E 1 49 ? 42.429 -0.597 40.529 1.00 10.53 ? 49 LEU E CD1 1 ATOM 7136 C CD2 . LEU E 1 49 ? 41.630 -0.711 42.969 1.00 9.59 ? 49 LEU E CD2 1 ATOM 7137 N N . PHE E 1 50 ? 46.953 -0.078 43.902 1.00 4.22 ? 50 PHE E N 1 ATOM 7138 C CA . PHE E 1 50 ? 48.153 -0.732 44.443 1.00 3.68 ? 50 PHE E CA 1 ATOM 7139 C C . PHE E 1 50 ? 49.331 0.191 44.232 1.00 3.35 ? 50 PHE E C 1 ATOM 7140 O O . PHE E 1 50 ? 49.628 0.540 43.085 1.00 4.15 ? 50 PHE E O 1 ATOM 7141 C CB . PHE E 1 50 ? 48.379 -2.059 43.702 1.00 5.25 ? 50 PHE E CB 1 ATOM 7142 C CG . PHE E 1 50 ? 49.538 -2.878 44.199 1.00 5.14 ? 50 PHE E CG 1 ATOM 7143 C CD1 . PHE E 1 50 ? 50.794 -2.721 43.622 1.00 5.41 ? 50 PHE E CD1 1 ATOM 7144 C CD2 . PHE E 1 50 ? 49.376 -3.842 45.167 1.00 5.95 ? 50 PHE E CD2 1 ATOM 7145 C CE1 . PHE E 1 50 ? 51.847 -3.501 44.028 1.00 6.18 ? 50 PHE E CE1 1 ATOM 7146 C CE2 . PHE E 1 50 ? 50.426 -4.630 45.562 1.00 6.25 ? 50 PHE E CE2 1 ATOM 7147 C CZ . PHE E 1 50 ? 51.662 -4.471 44.983 1.00 6.49 ? 50 PHE E CZ 1 ATOM 7148 N N . SER E 1 51 ? 49.989 0.605 45.302 1.00 3.73 ? 51 SER E N 1 ATOM 7149 C CA . SER E 1 51 ? 51.061 1.604 45.236 1.00 3.85 ? 51 SER E CA 1 ATOM 7150 C C . SER E 1 51 ? 52.348 1.014 45.793 1.00 4.40 ? 51 SER E C 1 ATOM 7151 O O . SER E 1 51 ? 52.424 0.650 46.957 1.00 5.67 ? 51 SER E O 1 ATOM 7152 C CB . SER E 1 51 ? 50.603 2.848 46.016 1.00 5.15 ? 51 SER E CB 1 ATOM 7153 O OG . SER E 1 51 ? 51.627 3.814 46.212 1.00 5.90 ? 51 SER E OG 1 ATOM 7154 N N . TYR E 1 52 ? 53.378 0.978 44.950 1.00 4.57 ? 52 TYR E N 1 ATOM 7155 C CA . TYR E 1 52 ? 54.693 0.418 45.269 1.00 5.33 ? 52 TYR E CA 1 ATOM 7156 C C . TYR E 1 52 ? 55.728 1.490 44.914 1.00 4.77 ? 52 TYR E C 1 ATOM 7157 O O . TYR E 1 52 ? 55.880 1.876 43.767 1.00 5.81 ? 52 TYR E O 1 ATOM 7158 C CB . TYR E 1 52 ? 54.843 -0.868 44.449 1.00 6.08 ? 52 TYR E CB 1 ATOM 7159 C CG . TYR E 1 52 ? 56.149 -1.635 44.370 1.00 6.01 ? 52 TYR E CG 1 ATOM 7160 C CD1 . TYR E 1 52 ? 57.338 -1.037 43.925 1.00 6.70 ? 52 TYR E CD1 1 ATOM 7161 C CD2 . TYR E 1 52 ? 56.162 -2.999 44.630 1.00 6.60 ? 52 TYR E CD2 1 ATOM 7162 C CE1 . TYR E 1 52 ? 58.490 -1.778 43.770 1.00 7.31 ? 52 TYR E CE1 1 ATOM 7163 C CE2 . TYR E 1 52 ? 57.292 -3.740 44.478 1.00 6.77 ? 52 TYR E CE2 1 ATOM 7164 C CZ . TYR E 1 52 ? 58.463 -3.130 44.051 1.00 7.41 ? 52 TYR E CZ 1 ATOM 7165 O OH . TYR E 1 52 ? 59.603 -3.891 43.915 1.00 9.57 ? 52 TYR E OH 1 ATOM 7166 N N . ASN E 1 53 ? 56.390 2.028 45.935 1.00 5.57 ? 53 ASN E N 1 ATOM 7167 C CA . ASN E 1 53 ? 57.412 3.057 45.796 1.00 6.90 ? 53 ASN E CA 1 ATOM 7168 C C . ASN E 1 53 ? 58.712 2.534 46.392 1.00 7.37 ? 53 ASN E C 1 ATOM 7169 O O . ASN E 1 53 ? 58.706 1.687 47.278 1.00 7.89 ? 53 ASN E O 1 ATOM 7170 C CB . ASN E 1 53 ? 57.014 4.335 46.559 1.00 7.69 ? 53 ASN E CB 1 ATOM 7171 C CG . ASN E 1 53 ? 56.149 5.280 45.741 1.00 7.49 ? 53 ASN E CG 1 ATOM 7172 O OD1 . ASN E 1 53 ? 55.554 4.904 44.727 1.00 7.84 ? 53 ASN E OD1 1 ATOM 7173 N ND2 . ASN E 1 53 ? 56.074 6.521 46.186 1.00 8.61 ? 53 ASN E ND2 1 ATOM 7174 N N . THR E 1 54 ? 59.829 3.049 45.902 1.00 7.92 ? 54 THR E N 1 ATOM 7175 C CA . THR E 1 54 ? 61.119 2.728 46.507 1.00 9.14 ? 54 THR E CA 1 ATOM 7176 C C . THR E 1 54 ? 61.801 4.032 46.892 1.00 10.33 ? 54 THR E C 1 ATOM 7177 O O . THR E 1 54 ? 61.298 5.110 46.559 1.00 10.56 ? 54 THR E O 1 ATOM 7178 C CB . THR E 1 54 ? 61.994 1.860 45.578 1.00 9.86 ? 54 THR E CB 1 ATOM 7179 O OG1 . THR E 1 54 ? 62.351 2.598 44.407 1.00 11.15 ? 54 THR E OG1 1 ATOM 7180 C CG2 . THR E 1 54 ? 61.251 0.573 45.162 1.00 9.92 ? 54 THR E CG2 1 ATOM 7181 N N . GLN E 1 55 ? 62.926 3.948 47.604 1.00 11.79 ? 55 GLN E N 1 ATOM 7182 C CA . GLN E 1 55 ? 63.584 5.150 48.100 1.00 15.26 ? 55 GLN E CA 1 ATOM 7183 C C . GLN E 1 55 ? 63.969 6.042 46.942 1.00 15.51 ? 55 GLN E C 1 ATOM 7184 O O . GLN E 1 55 ? 64.701 5.617 46.055 1.00 16.30 ? 55 GLN E O 1 ATOM 7185 C CB . GLN E 1 55 ? 64.821 4.797 48.920 1.00 18.59 ? 55 GLN E CB 1 ATOM 7186 C CG . GLN E 1 55 ? 65.496 6.005 49.556 1.00 22.19 ? 55 GLN E CG 1 ATOM 7187 C CD . GLN E 1 55 ? 64.600 6.748 50.528 1.00 25.38 ? 55 GLN E CD 1 ATOM 7188 O OE1 . GLN E 1 55 ? 64.356 7.947 50.380 1.00 27.80 ? 55 GLN E OE1 1 ATOM 7189 N NE2 . GLN E 1 55 ? 64.120 6.046 51.531 1.00 26.42 ? 55 GLN E NE2 1 ATOM 7190 N N . GLY E 1 56 ? 63.434 7.262 46.944 1.00 14.93 ? 56 GLY E N 1 ATOM 7191 C CA . GLY E 1 56 ? 63.731 8.243 45.923 1.00 14.70 ? 56 GLY E CA 1 ATOM 7192 C C . GLY E 1 56 ? 62.960 8.084 44.622 1.00 13.29 ? 56 GLY E C 1 ATOM 7193 O O . GLY E 1 56 ? 63.210 8.823 43.665 1.00 15.24 ? 56 GLY E O 1 ATOM 7194 N N . ARG E 1 57 ? 62.025 7.135 44.585 1.00 11.99 ? 57 ARG E N 1 ATOM 7195 C CA . ARG E 1 57 ? 61.355 6.770 43.336 1.00 11.03 ? 57 ARG E CA 1 ATOM 7196 C C . ARG E 1 57 ? 59.846 6.665 43.531 1.00 9.71 ? 57 ARG E C 1 ATOM 7197 O O . ARG E 1 57 ? 59.334 5.705 44.116 1.00 11.20 ? 57 ARG E O 1 ATOM 7198 C CB . ARG E 1 57 ? 61.919 5.463 42.784 1.00 11.04 ? 57 ARG E CB 1 ATOM 7199 C CG . ARG E 1 57 ? 63.390 5.569 42.385 1.00 11.01 ? 57 ARG E CG 1 ATOM 7200 C CD . ARG E 1 57 ? 63.884 4.337 41.634 1.00 11.19 ? 57 ARG E CD 1 ATOM 7201 N NE . ARG E 1 57 ? 63.427 4.287 40.242 1.00 11.81 ? 57 ARG E NE 1 ATOM 7202 C CZ . ARG E 1 57 ? 63.984 4.953 39.227 1.00 12.09 ? 57 ARG E CZ 1 ATOM 7203 N NH1 . ARG E 1 57 ? 64.987 5.796 39.432 1.00 13.20 ? 57 ARG E NH1 1 ATOM 7204 N NH2 . ARG E 1 57 ? 63.487 4.810 38.006 1.00 12.58 ? 57 ARG E NH2 1 ATOM 7205 N N . ASP E 1 58 ? 59.136 7.655 43.014 1.00 8.68 ? 58 ASP E N 1 ATOM 7206 C CA . ASP E 1 58 ? 57.681 7.658 43.052 1.00 8.19 ? 58 ASP E CA 1 ATOM 7207 C C . ASP E 1 58 ? 57.121 6.848 41.890 1.00 6.46 ? 58 ASP E C 1 ATOM 7208 O O . ASP E 1 58 ? 57.686 6.845 40.794 1.00 8.00 ? 58 ASP E O 1 ATOM 7209 C CB . ASP E 1 58 ? 57.147 9.085 42.959 1.00 9.25 ? 58 ASP E CB 1 ATOM 7210 C CG . ASP E 1 58 ? 55.662 9.176 43.249 1.00 9.98 ? 58 ASP E CG 1 ATOM 7211 O OD1 . ASP E 1 58 ? 55.186 8.423 44.116 1.00 9.36 ? 58 ASP E OD1 1 ATOM 7212 O OD2 . ASP E 1 58 ? 54.972 9.994 42.604 1.00 12.10 ? 58 ASP E OD2 1 ATOM 7213 N N . ASN E 1 59 ? 55.987 6.196 42.129 1.00 5.88 ? 59 ASN E N 1 ATOM 7214 C CA . ASN E 1 59 ? 55.260 5.471 41.088 1.00 6.10 ? 59 ASN E CA 1 ATOM 7215 C C . ASN E 1 59 ? 56.153 4.447 40.429 1.00 5.82 ? 59 ASN E C 1 ATOM 7216 O O . ASN E 1 59 ? 56.165 4.273 39.199 1.00 6.24 ? 59 ASN E O 1 ATOM 7217 C CB . ASN E 1 59 ? 54.654 6.429 40.059 1.00 6.83 ? 59 ASN E CB 1 ATOM 7218 C CG . ASN E 1 59 ? 53.719 7.426 40.685 1.00 6.21 ? 59 ASN E CG 1 ATOM 7219 O OD1 . ASN E 1 59 ? 53.348 7.297 41.856 1.00 6.15 ? 59 ASN E OD1 1 ATOM 7220 N ND2 . ASN E 1 59 ? 53.342 8.446 39.924 1.00 8.13 ? 59 ASN E ND2 1 ATOM 7221 N N . GLU E 1 60 ? 56.900 3.749 41.268 1.00 5.76 ? 60 GLU E N 1 ATOM 7222 C CA . GLU E 1 60 ? 57.799 2.720 40.750 1.00 5.59 ? 60 GLU E CA 1 ATOM 7223 C C . GLU E 1 60 ? 57.007 1.547 40.164 1.00 5.37 ? 60 GLU E C 1 ATOM 7224 O O . GLU E 1 60 ? 57.355 1.005 39.113 1.00 5.96 ? 60 GLU E O 1 ATOM 7225 C CB . GLU E 1 60 ? 58.747 2.269 41.856 1.00 6.31 ? 60 GLU E CB 1 ATOM 7226 C CG . GLU E 1 60 ? 59.774 1.244 41.402 1.00 7.42 ? 60 GLU E CG 1 ATOM 7227 C CD . GLU E 1 60 ? 60.776 1.772 40.388 1.00 7.64 ? 60 GLU E CD 1 ATOM 7228 O OE1 . GLU E 1 60 ? 60.896 2.997 40.219 1.00 8.28 ? 60 GLU E OE1 1 ATOM 7229 O OE2 . GLU E 1 60 ? 61.483 0.942 39.785 1.00 8.80 ? 60 GLU E OE2 1 ATOM 7230 N N . LEU E 1 61 ? 55.918 1.177 40.832 1.00 4.65 ? 61 LEU E N 1 ATOM 7231 C CA . LEU E 1 61 ? 54.936 0.233 40.305 1.00 3.82 ? 61 LEU E CA 1 ATOM 7232 C C . LEU E 1 61 ? 53.604 0.698 40.879 1.00 4.33 ? 61 LEU E C 1 ATOM 7233 O O . LEU E 1 61 ? 53.390 0.685 42.070 1.00 6.94 ? 61 LEU E O 1 ATOM 7234 C CB . LEU E 1 61 ? 55.303 -1.204 40.699 1.00 5.66 ? 61 LEU E CB 1 ATOM 7235 C CG . LEU E 1 61 ? 54.580 -2.367 40.020 1.00 8.45 ? 61 LEU E CG 1 ATOM 7236 C CD1 . LEU E 1 61 ? 55.195 -3.678 40.450 1.00 8.54 ? 61 LEU E CD1 1 ATOM 7237 C CD2 . LEU E 1 61 ? 53.120 -2.407 40.331 1.00 9.76 ? 61 LEU E CD2 1 ATOM 7238 N N . LEU E 1 62 ? 52.728 1.179 40.016 1.00 4.41 ? 62 LEU E N 1 ATOM 7239 C CA . LEU E 1 62 ? 51.448 1.704 40.483 1.00 3.73 ? 62 LEU E CA 1 ATOM 7240 C C . LEU E 1 62 ? 50.333 1.212 39.571 1.00 3.38 ? 62 LEU E C 1 ATOM 7241 O O . LEU E 1 62 ? 50.421 1.329 38.351 1.00 4.52 ? 62 LEU E O 1 ATOM 7242 C CB . LEU E 1 62 ? 51.500 3.243 40.514 1.00 4.67 ? 62 LEU E CB 1 ATOM 7243 C CG . LEU E 1 62 ? 50.185 4.016 40.729 1.00 5.18 ? 62 LEU E CG 1 ATOM 7244 C CD1 . LEU E 1 62 ? 49.583 3.751 42.118 1.00 5.70 ? 62 LEU E CD1 1 ATOM 7245 C CD2 . LEU E 1 62 ? 50.403 5.504 40.517 1.00 5.70 ? 62 LEU E CD2 1 ATOM 7246 N N . VAL E 1 63 ? 49.260 0.693 40.170 1.00 4.02 ? 63 VAL E N 1 ATOM 7247 C CA . VAL E 1 63 ? 48.038 0.358 39.453 1.00 4.88 ? 63 VAL E CA 1 ATOM 7248 C C . VAL E 1 63 ? 46.988 1.381 39.872 1.00 3.73 ? 63 VAL E C 1 ATOM 7249 O O . VAL E 1 63 ? 46.683 1.500 41.048 1.00 4.32 ? 63 VAL E O 1 ATOM 7250 C CB . VAL E 1 63 ? 47.574 -1.064 39.774 1.00 5.91 ? 63 VAL E CB 1 ATOM 7251 C CG1 . VAL E 1 63 ? 46.327 -1.425 38.963 1.00 7.13 ? 63 VAL E CG1 1 ATOM 7252 C CG2 . VAL E 1 63 ? 48.689 -2.049 39.484 1.00 7.89 ? 63 VAL E CG2 1 ATOM 7253 N N . TYR E 1 64 ? 46.458 2.120 38.904 1.00 5.03 ? 64 TYR E N 1 ATOM 7254 C CA . TYR E 1 64 ? 45.646 3.303 39.153 1.00 5.13 ? 64 TYR E CA 1 ATOM 7255 C C . TYR E 1 64 ? 44.422 3.286 38.274 1.00 5.66 ? 64 TYR E C 1 ATOM 7256 O O . TYR E 1 64 ? 44.499 2.931 37.116 1.00 7.14 ? 64 TYR E O 1 ATOM 7257 C CB . TYR E 1 64 ? 46.497 4.536 38.843 1.00 6.17 ? 64 TYR E CB 1 ATOM 7258 C CG . TYR E 1 64 ? 45.978 5.852 39.362 1.00 6.45 ? 64 TYR E CG 1 ATOM 7259 C CD1 . TYR E 1 64 ? 46.147 6.201 40.698 1.00 7.11 ? 64 TYR E CD1 1 ATOM 7260 C CD2 . TYR E 1 64 ? 45.370 6.762 38.522 1.00 7.34 ? 64 TYR E CD2 1 ATOM 7261 C CE1 . TYR E 1 64 ? 45.724 7.409 41.177 1.00 7.66 ? 64 TYR E CE1 1 ATOM 7262 C CE2 . TYR E 1 64 ? 44.930 7.972 38.991 1.00 8.69 ? 64 TYR E CE2 1 ATOM 7263 C CZ . TYR E 1 64 ? 45.104 8.290 40.325 1.00 8.89 ? 64 TYR E CZ 1 ATOM 7264 O OH . TYR E 1 64 ? 44.701 9.511 40.805 1.00 11.09 ? 64 TYR E OH 1 ATOM 7265 N N . LYS E 1 65 ? 43.285 3.663 38.838 1.00 5.73 ? 65 LYS E N 1 ATOM 7266 C CA . LYS E 1 65 ? 42.025 3.735 38.102 1.00 6.48 ? 65 LYS E CA 1 ATOM 7267 C C . LYS E 1 65 ? 41.676 5.206 37.887 1.00 8.36 ? 65 LYS E C 1 ATOM 7268 O O . LYS E 1 65 ? 41.222 5.878 38.796 1.00 8.64 ? 65 LYS E O 1 ATOM 7269 C CB . LYS E 1 65 ? 40.938 3.028 38.924 1.00 9.03 ? 65 LYS E CB 1 ATOM 7270 C CG . LYS E 1 65 ? 39.621 2.850 38.173 1.00 11.62 ? 65 LYS E CG 1 ATOM 7271 C CD . LYS E 1 65 ? 39.669 1.599 37.388 1.00 14.78 ? 65 LYS E CD 1 ATOM 7272 C CE . LYS E 1 65 ? 38.440 1.471 36.525 1.00 13.98 ? 65 LYS E CE 1 ATOM 7273 N NZ . LYS E 1 65 ? 37.203 1.528 37.366 1.00 15.43 ? 65 LYS E NZ 1 ATOM 7274 N N . GLU E 1 66 ? 41.868 5.703 36.674 1.00 12.00 ? 66 GLU E N 1 ATOM 7275 C CA . GLU E 1 66 ? 41.643 7.106 36.361 1.00 15.24 ? 66 GLU E CA 1 ATOM 7276 C C . GLU E 1 66 ? 40.153 7.494 36.387 1.00 12.99 ? 66 GLU E C 1 ATOM 7277 O O . GLU E 1 66 ? 39.759 8.596 36.838 1.00 13.56 ? 66 GLU E O 1 ATOM 7278 C CB . GLU E 1 66 ? 42.204 7.367 34.945 1.00 19.43 ? 66 GLU E CB 1 ATOM 7279 C CG . GLU E 1 66 ? 43.597 6.728 34.654 1.00 21.61 ? 66 GLU E CG 1 ATOM 7280 C CD . GLU E 1 66 ? 44.738 7.605 35.036 1.00 23.08 ? 66 GLU E CD 1 ATOM 7281 O OE1 . GLU E 1 66 ? 44.416 8.728 35.497 1.00 24.95 ? 66 GLU E OE1 1 ATOM 7282 O OE2 . GLU E 1 66 ? 45.932 7.160 34.910 1.00 21.34 ? 66 GLU E OE2 1 ATOM 7283 N N . ARG E 1 67 ? 39.344 6.583 35.865 1.00 10.25 ? 67 ARG E N 1 ATOM 7284 C CA . ARG E 1 67 ? 37.911 6.785 35.709 1.00 10.04 ? 67 ARG E CA 1 ATOM 7285 C C . ARG E 1 67 ? 37.320 5.449 35.302 1.00 9.11 ? 67 ARG E C 1 ATOM 7286 O O . ARG E 1 67 ? 38.052 4.492 34.999 1.00 8.90 ? 67 ARG E O 1 ATOM 7287 C CB . ARG E 1 67 ? 37.607 7.859 34.659 1.00 11.33 ? 67 ARG E CB 1 ATOM 7288 C CG . ARG E 1 67 ? 38.200 7.551 33.280 1.00 13.42 ? 67 ARG E CG 1 ATOM 7289 C CD . ARG E 1 67 ? 37.926 8.667 32.265 1.00 17.09 ? 67 ARG E CD 1 ATOM 7290 N NE . ARG E 1 67 ? 38.525 9.936 32.680 1.00 20.66 ? 67 ARG E NE 1 ATOM 7291 C CZ . ARG E 1 67 ? 39.798 10.280 32.482 1.00 23.86 ? 67 ARG E CZ 1 ATOM 7292 N NH1 . ARG E 1 67 ? 40.643 9.460 31.869 1.00 25.07 ? 67 ARG E NH1 1 ATOM 7293 N NH2 . ARG E 1 67 ? 40.234 11.462 32.898 1.00 25.06 ? 67 ARG E NH2 1 ATOM 7294 N N . VAL E 1 68 ? 35.999 5.369 35.270 1.00 9.87 ? 68 VAL E N 1 ATOM 7295 C CA . VAL E 1 68 ? 35.347 4.122 34.914 1.00 9.95 ? 68 VAL E CA 1 ATOM 7296 C C . VAL E 1 68 ? 35.848 3.638 33.547 1.00 10.37 ? 68 VAL E C 1 ATOM 7297 O O . VAL E 1 68 ? 35.985 4.414 32.585 1.00 11.56 ? 68 VAL E O 1 ATOM 7298 C CB . VAL E 1 68 ? 33.794 4.251 34.931 1.00 12.76 ? 68 VAL E CB 1 ATOM 7299 C CG1 . VAL E 1 68 ? 33.342 5.342 33.987 1.00 14.25 ? 68 VAL E CG1 1 ATOM 7300 C CG2 . VAL E 1 68 ? 33.131 2.918 34.589 1.00 13.67 ? 68 VAL E CG2 1 ATOM 7301 N N . GLY E 1 69 ? 36.153 2.349 33.488 1.00 9.56 ? 69 GLY E N 1 ATOM 7302 C CA . GLY E 1 69 ? 36.578 1.722 32.248 1.00 9.78 ? 69 GLY E CA 1 ATOM 7303 C C . GLY E 1 69 ? 38.010 1.920 31.815 1.00 8.35 ? 69 GLY E C 1 ATOM 7304 O O . GLY E 1 69 ? 38.333 1.559 30.707 1.00 11.00 ? 69 GLY E O 1 ATOM 7305 N N . GLU E 1 70 ? 38.850 2.506 32.657 1.00 6.50 ? 70 GLU E N 1 ATOM 7306 C CA . GLU E 1 70 ? 40.219 2.819 32.278 1.00 7.30 ? 70 GLU E CA 1 ATOM 7307 C C . GLU E 1 70 ? 41.194 2.457 33.384 1.00 6.00 ? 70 GLU E C 1 ATOM 7308 O O . GLU E 1 70 ? 41.091 2.973 34.507 1.00 8.61 ? 70 GLU E O 1 ATOM 7309 C CB . GLU E 1 70 ? 40.355 4.315 31.957 1.00 11.14 ? 70 GLU E CB 1 ATOM 7310 C CG . GLU E 1 70 ? 39.573 4.745 30.731 1.00 15.51 ? 70 GLU E CG 1 ATOM 7311 C CD . GLU E 1 70 ? 39.874 6.171 30.289 1.00 19.80 ? 70 GLU E CD 1 ATOM 7312 O OE1 . GLU E 1 70 ? 40.762 6.824 30.874 1.00 20.23 ? 70 GLU E OE1 1 ATOM 7313 O OE2 . GLU E 1 70 ? 39.216 6.634 29.336 1.00 22.94 ? 70 GLU E OE2 1 ATOM 7314 N N . TYR E 1 71 ? 42.137 1.577 33.081 1.00 5.11 ? 71 TYR E N 1 ATOM 7315 C CA . TYR E 1 71 ? 43.111 1.079 34.048 1.00 4.94 ? 71 TYR E CA 1 ATOM 7316 C C . TYR E 1 71 ? 44.506 1.465 33.614 1.00 4.96 ? 71 TYR E C 1 ATOM 7317 O O . TYR E 1 71 ? 44.850 1.303 32.440 1.00 5.99 ? 71 TYR E O 1 ATOM 7318 C CB . TYR E 1 71 ? 43.021 -0.452 34.143 1.00 6.49 ? 71 TYR E CB 1 ATOM 7319 C CG . TYR E 1 71 ? 41.739 -0.905 34.763 1.00 7.84 ? 71 TYR E CG 1 ATOM 7320 C CD1 . TYR E 1 71 ? 40.604 -1.129 33.997 1.00 7.75 ? 71 TYR E CD1 1 ATOM 7321 C CD2 . TYR E 1 71 ? 41.640 -1.056 36.126 1.00 9.57 ? 71 TYR E CD2 1 ATOM 7322 C CE1 . TYR E 1 71 ? 39.431 -1.512 34.581 1.00 7.67 ? 71 TYR E CE1 1 ATOM 7323 C CE2 . TYR E 1 71 ? 40.461 -1.433 36.719 1.00 10.21 ? 71 TYR E CE2 1 ATOM 7324 C CZ . TYR E 1 71 ? 39.358 -1.651 35.944 1.00 9.05 ? 71 TYR E CZ 1 ATOM 7325 O OH . TYR E 1 71 ? 38.160 -2.042 36.520 1.00 11.60 ? 71 TYR E OH 1 ATOM 7326 N N . SER E 1 72 ? 45.298 1.996 34.535 1.00 5.08 ? 72 SER E N 1 ATOM 7327 C CA . SER E 1 72 ? 46.647 2.419 34.227 1.00 4.62 ? 72 SER E CA 1 ATOM 7328 C C . SER E 1 72 ? 47.659 1.634 35.038 1.00 3.70 ? 72 SER E C 1 ATOM 7329 O O . SER E 1 72 ? 47.424 1.305 36.202 1.00 4.27 ? 72 SER E O 1 ATOM 7330 C CB . SER E 1 72 ? 46.860 3.894 34.519 1.00 5.84 ? 72 SER E CB 1 ATOM 7331 O OG . SER E 1 72 ? 46.045 4.689 33.698 1.00 8.50 ? 72 SER E OG 1 ATOM 7332 N N . LEU E 1 73 ? 48.790 1.333 34.412 1.00 3.36 ? 73 LEU E N 1 ATOM 7333 C CA . LEU E 1 73 ? 49.961 0.774 35.087 1.00 3.52 ? 73 LEU E CA 1 ATOM 7334 C C . LEU E 1 73 ? 51.113 1.748 34.917 1.00 3.26 ? 73 LEU E C 1 ATOM 7335 O O . LEU E 1 73 ? 51.367 2.227 33.812 1.00 4.85 ? 73 LEU E O 1 ATOM 7336 C CB . LEU E 1 73 ? 50.354 -0.575 34.494 1.00 4.52 ? 73 LEU E CB 1 ATOM 7337 C CG . LEU E 1 73 ? 51.639 -1.201 35.045 1.00 5.24 ? 73 LEU E CG 1 ATOM 7338 C CD1 . LEU E 1 73 ? 51.460 -1.673 36.459 1.00 6.06 ? 73 LEU E CD1 1 ATOM 7339 C CD2 . LEU E 1 73 ? 52.102 -2.345 34.160 1.00 6.32 ? 73 LEU E CD2 1 ATOM 7340 N N . TYR E 1 74 ? 51.812 2.044 36.002 1.00 3.47 ? 74 TYR E N 1 ATOM 7341 C CA . TYR E 1 74 ? 53.039 2.808 35.971 1.00 3.99 ? 74 TYR E CA 1 ATOM 7342 C C . TYR E 1 74 ? 54.190 1.890 36.336 1.00 3.75 ? 74 TYR E C 1 ATOM 7343 O O . TYR E 1 74 ? 54.092 1.119 37.301 1.00 5.26 ? 74 TYR E O 1 ATOM 7344 C CB . TYR E 1 74 ? 53.002 3.922 37.019 1.00 5.50 ? 74 TYR E CB 1 ATOM 7345 C CG . TYR E 1 74 ? 52.007 5.049 36.783 1.00 6.75 ? 74 TYR E CG 1 ATOM 7346 C CD1 . TYR E 1 74 ? 50.633 4.849 36.935 1.00 7.91 ? 74 TYR E CD1 1 ATOM 7347 C CD2 . TYR E 1 74 ? 52.443 6.316 36.422 1.00 8.97 ? 74 TYR E CD2 1 ATOM 7348 C CE1 . TYR E 1 74 ? 49.721 5.869 36.705 1.00 9.14 ? 74 TYR E CE1 1 ATOM 7349 C CE2 . TYR E 1 74 ? 51.546 7.338 36.202 1.00 11.45 ? 74 TYR E CE2 1 ATOM 7350 C CZ . TYR E 1 74 ? 50.188 7.115 36.371 1.00 12.66 ? 74 TYR E CZ 1 ATOM 7351 O OH . TYR E 1 74 ? 49.309 8.143 36.129 1.00 16.46 ? 74 TYR E OH 1 ATOM 7352 N N . ILE E 1 75 ? 55.269 1.975 35.561 1.00 4.06 ? 75 ILE E N 1 ATOM 7353 C CA . ILE E 1 75 ? 56.532 1.301 35.832 1.00 4.54 ? 75 ILE E CA 1 ATOM 7354 C C . ILE E 1 75 ? 57.633 2.356 35.802 1.00 4.80 ? 75 ILE E C 1 ATOM 7355 O O . ILE E 1 75 ? 57.878 2.975 34.775 1.00 4.81 ? 75 ILE E O 1 ATOM 7356 C CB . ILE E 1 75 ? 56.845 0.204 34.787 1.00 5.08 ? 75 ILE E CB 1 ATOM 7357 C CG1 . ILE E 1 75 ? 55.749 -0.871 34.741 1.00 5.77 ? 75 ILE E CG1 1 ATOM 7358 C CG2 . ILE E 1 75 ? 58.192 -0.440 35.073 1.00 5.52 ? 75 ILE E CG2 1 ATOM 7359 C CD1 . ILE E 1 75 ? 55.706 -1.745 35.933 1.00 7.85 ? 75 ILE E CD1 1 ATOM 7360 N N . GLY E 1 76 ? 58.305 2.584 36.919 1.00 5.21 ? 76 GLY E N 1 ATOM 7361 C CA . GLY E 1 76 ? 59.342 3.604 36.947 1.00 5.47 ? 76 GLY E CA 1 ATOM 7362 C C . GLY E 1 76 ? 58.844 4.964 36.482 1.00 6.89 ? 76 GLY E C 1 ATOM 7363 O O . GLY E 1 76 ? 59.533 5.639 35.744 1.00 7.31 ? 76 GLY E O 1 ATOM 7364 N N . ARG E 1 77 ? 57.651 5.363 36.920 1.00 7.38 ? 77 ARG E N 1 ATOM 7365 C CA . ARG E 1 77 ? 57.029 6.650 36.568 1.00 8.23 ? 77 ARG E CA 1 ATOM 7366 C C . ARG E 1 77 ? 56.351 6.692 35.199 1.00 7.43 ? 77 ARG E C 1 ATOM 7367 O O . ARG E 1 77 ? 55.476 7.537 34.981 1.00 9.22 ? 77 ARG E O 1 ATOM 7368 C CB . ARG E 1 77 ? 57.997 7.863 36.643 1.00 11.93 ? 77 ARG E CB 1 ATOM 7369 C CG . ARG E 1 77 ? 58.886 7.997 37.872 1.00 15.77 ? 77 ARG E CG 1 ATOM 7370 C CD . ARG E 1 77 ? 59.853 9.220 37.772 1.00 17.53 ? 77 ARG E CD 1 ATOM 7371 N NE . ARG E 1 77 ? 60.428 9.304 36.439 1.00 19.24 ? 77 ARG E NE 1 ATOM 7372 C CZ . ARG E 1 77 ? 61.567 8.746 36.029 1.00 20.60 ? 77 ARG E CZ 1 ATOM 7373 N NH1 . ARG E 1 77 ? 62.352 8.076 36.851 1.00 20.35 ? 77 ARG E NH1 1 ATOM 7374 N NH2 . ARG E 1 77 ? 61.927 8.877 34.760 1.00 21.83 ? 77 ARG E NH2 1 ATOM 7375 N N . HIS E 1 78 ? 56.737 5.807 34.280 1.00 6.38 ? 78 HIS E N 1 ATOM 7376 C CA . HIS E 1 78 ? 56.144 5.796 32.944 1.00 5.87 ? 78 HIS E CA 1 ATOM 7377 C C . HIS E 1 78 ? 54.797 5.111 33.046 1.00 5.17 ? 78 HIS E C 1 ATOM 7378 O O . HIS E 1 78 ? 54.626 4.239 33.862 1.00 6.43 ? 78 HIS E O 1 ATOM 7379 C CB . HIS E 1 78 ? 57.030 5.021 31.986 1.00 6.85 ? 78 HIS E CB 1 ATOM 7380 C CG . HIS E 1 78 ? 58.353 5.668 31.709 1.00 8.44 ? 78 HIS E CG 1 ATOM 7381 N ND1 . HIS E 1 78 ? 59.126 5.318 30.624 1.00 10.52 ? 78 HIS E ND1 1 ATOM 7382 C CD2 . HIS E 1 78 ? 59.053 6.610 32.383 1.00 9.75 ? 78 HIS E CD2 1 ATOM 7383 C CE1 . HIS E 1 78 ? 60.232 6.035 30.626 1.00 11.09 ? 78 HIS E CE1 1 ATOM 7384 N NE2 . HIS E 1 78 ? 60.224 6.816 31.692 1.00 10.65 ? 78 HIS E NE2 1 ATOM 7385 N N . LYS E 1 79 ? 53.857 5.494 32.208 1.00 6.86 ? 79 LYS E N 1 ATOM 7386 C CA . LYS E 1 79 ? 52.535 4.922 32.315 1.00 8.48 ? 79 LYS E CA 1 ATOM 7387 C C . LYS E 1 79 ? 51.976 4.404 31.008 1.00 6.57 ? 79 LYS E C 1 ATOM 7388 O O . LYS E 1 79 ? 52.295 4.894 29.925 1.00 8.34 ? 79 LYS E O 1 ATOM 7389 C CB . LYS E 1 79 ? 51.582 5.911 32.987 1.00 14.35 ? 79 LYS E CB 1 ATOM 7390 C CG . LYS E 1 79 ? 50.718 6.685 32.069 1.00 18.84 ? 79 LYS E CG 1 ATOM 7391 C CD . LYS E 1 79 ? 49.769 7.596 32.848 1.00 22.77 ? 79 LYS E CD 1 ATOM 7392 C CE . LYS E 1 79 ? 48.575 8.003 32.006 1.00 26.37 ? 79 LYS E CE 1 ATOM 7393 N NZ . LYS E 1 79 ? 47.815 9.144 32.611 1.00 28.86 ? 79 LYS E NZ 1 ATOM 7394 N N . VAL E 1 80 ? 51.145 3.389 31.138 1.00 5.19 ? 80 VAL E N 1 ATOM 7395 C CA . VAL E 1 80 ? 50.284 2.940 30.059 1.00 5.18 ? 80 VAL E CA 1 ATOM 7396 C C . VAL E 1 80 ? 48.868 2.829 30.603 1.00 4.52 ? 80 VAL E C 1 ATOM 7397 O O . VAL E 1 80 ? 48.666 2.658 31.812 1.00 5.34 ? 80 VAL E O 1 ATOM 7398 C CB . VAL E 1 80 ? 50.709 1.590 29.462 1.00 6.31 ? 80 VAL E CB 1 ATOM 7399 C CG1 . VAL E 1 80 ? 52.052 1.733 28.742 1.00 8.07 ? 80 VAL E CG1 1 ATOM 7400 C CG2 . VAL E 1 80 ? 50.734 0.489 30.509 1.00 6.08 ? 80 VAL E CG2 1 ATOM 7401 N N . THR E 1 81 ? 47.885 2.898 29.706 1.00 4.63 ? 81 THR E N 1 ATOM 7402 C CA . THR E 1 81 ? 46.475 2.829 30.089 1.00 5.99 ? 81 THR E CA 1 ATOM 7403 C C . THR E 1 81 ? 45.735 2.000 29.055 1.00 4.81 ? 81 THR E C 1 ATOM 7404 O O . THR E 1 81 ? 45.974 2.165 27.856 1.00 5.57 ? 81 THR E O 1 ATOM 7405 C CB . THR E 1 81 ? 45.829 4.235 30.101 1.00 7.90 ? 81 THR E CB 1 ATOM 7406 O OG1 . THR E 1 81 ? 46.547 5.099 30.997 1.00 9.21 ? 81 THR E OG1 1 ATOM 7407 C CG2 . THR E 1 81 ? 44.361 4.175 30.523 1.00 9.69 ? 81 THR E CG2 1 ATOM 7408 N N . SER E 1 82 ? 44.844 1.124 29.507 1.00 5.15 ? 82 SER E N 1 ATOM 7409 C CA . SER E 1 82 ? 43.950 0.395 28.612 1.00 6.28 ? 82 SER E CA 1 ATOM 7410 C C . SER E 1 82 ? 42.509 0.452 29.082 1.00 5.81 ? 82 SER E C 1 ATOM 7411 O O . SER E 1 82 ? 42.226 0.659 30.253 1.00 6.61 ? 82 SER E O 1 ATOM 7412 C CB . SER E 1 82 ? 44.412 -1.043 28.382 1.00 9.66 ? 82 SER E CB 1 ATOM 7413 O OG . SER E 1 82 ? 45.530 -1.030 27.516 1.00 11.33 ? 82 SER E OG 1 ATOM 7414 N N . LYS E 1 83 ? 41.606 0.303 28.124 1.00 5.71 ? 83 LYS E N 1 ATOM 7415 C CA . LYS E 1 83 ? 40.191 0.509 28.347 1.00 5.70 ? 83 LYS E CA 1 ATOM 7416 C C . LYS E 1 83 ? 39.395 -0.774 28.295 1.00 5.47 ? 83 LYS E C 1 ATOM 7417 O O . LYS E 1 83 ? 39.778 -1.753 27.636 1.00 5.81 ? 83 LYS E O 1 ATOM 7418 C CB . LYS E 1 83 ? 39.646 1.439 27.272 1.00 7.95 ? 83 LYS E CB 1 ATOM 7419 C CG . LYS E 1 83 ? 40.287 2.785 27.279 1.00 12.65 ? 83 LYS E CG 1 ATOM 7420 C CD . LYS E 1 83 ? 39.733 3.711 26.229 1.00 17.12 ? 83 LYS E CD 1 ATOM 7421 C CE . LYS E 1 83 ? 40.537 4.995 26.257 1.00 21.02 ? 83 LYS E CE 1 ATOM 7422 N NZ . LYS E 1 83 ? 39.699 6.192 26.045 1.00 23.90 ? 83 LYS E NZ 1 ATOM 7423 N N . VAL E 1 84 ? 38.258 -0.761 28.977 1.00 5.21 ? 84 VAL E N 1 ATOM 7424 C CA . VAL E 1 84 ? 37.377 -1.930 28.987 1.00 6.20 ? 84 VAL E CA 1 ATOM 7425 C C . VAL E 1 84 ? 35.952 -1.476 29.174 1.00 7.06 ? 84 VAL E C 1 ATOM 7426 O O . VAL E 1 84 ? 35.706 -0.452 29.797 1.00 8.01 ? 84 VAL E O 1 ATOM 7427 C CB . VAL E 1 84 ? 37.791 -2.924 30.108 1.00 8.11 ? 84 VAL E CB 1 ATOM 7428 C CG1 . VAL E 1 84 ? 37.563 -2.315 31.480 1.00 9.53 ? 84 VAL E CG1 1 ATOM 7429 C CG2 . VAL E 1 84 ? 37.062 -4.259 29.975 1.00 9.19 ? 84 VAL E CG2 1 ATOM 7430 N N . ILE E 1 85 ? 35.014 -2.254 28.645 1.00 7.99 ? 85 ILE E N 1 ATOM 7431 C CA . ILE E 1 85 ? 33.596 -2.086 28.945 1.00 9.29 ? 85 ILE E CA 1 ATOM 7432 C C . ILE E 1 85 ? 33.302 -2.673 30.321 1.00 10.37 ? 85 ILE E C 1 ATOM 7433 O O . ILE E 1 85 ? 33.558 -3.853 30.566 1.00 11.30 ? 85 ILE E O 1 ATOM 7434 C CB . ILE E 1 85 ? 32.738 -2.826 27.884 1.00 11.07 ? 85 ILE E CB 1 ATOM 7435 C CG1 . ILE E 1 85 ? 32.997 -2.235 26.507 1.00 13.54 ? 85 ILE E CG1 1 ATOM 7436 C CG2 . ILE E 1 85 ? 31.268 -2.739 28.216 1.00 11.38 ? 85 ILE E CG2 1 ATOM 7437 C CD1 . ILE E 1 85 ? 32.329 -3.001 25.372 1.00 14.63 ? 85 ILE E CD1 1 ATOM 7438 N N . GLU E 1 86 ? 32.760 -1.858 31.226 1.00 11.58 ? 86 GLU E N 1 ATOM 7439 C CA . GLU E 1 86 ? 32.399 -2.377 32.550 1.00 12.76 ? 86 GLU E CA 1 ATOM 7440 C C . GLU E 1 86 ? 31.191 -1.633 33.070 1.00 13.78 ? 86 GLU E C 1 ATOM 7441 O O . GLU E 1 86 ? 30.919 -0.497 32.689 1.00 14.94 ? 86 GLU E O 1 ATOM 7442 C CB . GLU E 1 86 ? 33.567 -2.327 33.564 1.00 15.00 ? 86 GLU E CB 1 ATOM 7443 C CG . GLU E 1 86 ? 34.069 -0.946 33.865 1.00 16.02 ? 86 GLU E CG 1 ATOM 7444 C CD . GLU E 1 86 ? 35.309 -0.907 34.808 1.00 16.07 ? 86 GLU E CD 1 ATOM 7445 O OE1 . GLU E 1 86 ? 35.970 -1.970 35.061 1.00 14.86 ? 86 GLU E OE1 1 ATOM 7446 O OE2 . GLU E 1 86 ? 35.630 0.222 35.281 1.00 15.70 ? 86 GLU E OE2 1 ATOM 7447 N N . LYS E 1 87 ? 30.460 -2.304 33.940 1.00 13.81 ? 87 LYS E N 1 ATOM 7448 C CA . LYS E 1 87 ? 29.340 -1.687 34.635 1.00 14.29 ? 87 LYS E CA 1 ATOM 7449 C C . LYS E 1 87 ? 29.842 -0.922 35.848 1.00 13.03 ? 87 LYS E C 1 ATOM 7450 O O . LYS E 1 87 ? 30.940 -1.177 36.355 1.00 13.03 ? 87 LYS E O 1 ATOM 7451 C CB . LYS E 1 87 ? 28.327 -2.743 35.075 1.00 17.39 ? 87 LYS E CB 1 ATOM 7452 C CG . LYS E 1 87 ? 27.657 -3.447 33.927 1.00 21.47 ? 87 LYS E CG 1 ATOM 7453 C CD . LYS E 1 87 ? 26.848 -4.627 34.398 1.00 25.46 ? 87 LYS E CD 1 ATOM 7454 C CE . LYS E 1 87 ? 26.341 -5.395 33.197 1.00 28.73 ? 87 LYS E CE 1 ATOM 7455 N NZ . LYS E 1 87 ? 26.655 -6.844 33.289 1.00 31.13 ? 87 LYS E NZ 1 ATOM 7456 N N . PHE E 1 88 ? 29.036 0.033 36.293 1.00 11.60 ? 88 PHE E N 1 ATOM 7457 C CA . PHE E 1 88 ? 29.383 0.839 37.458 1.00 9.93 ? 88 PHE E CA 1 ATOM 7458 C C . PHE E 1 88 ? 28.170 1.069 38.350 1.00 8.39 ? 88 PHE E C 1 ATOM 7459 O O . PHE E 1 88 ? 27.142 1.549 37.864 1.00 10.30 ? 88 PHE E O 1 ATOM 7460 C CB . PHE E 1 88 ? 29.910 2.214 37.053 1.00 11.09 ? 88 PHE E CB 1 ATOM 7461 C CG . PHE E 1 88 ? 30.111 3.102 38.237 1.00 11.33 ? 88 PHE E CG 1 ATOM 7462 C CD1 . PHE E 1 88 ? 31.177 2.894 39.096 1.00 11.87 ? 88 PHE E CD1 1 ATOM 7463 C CD2 . PHE E 1 88 ? 29.183 4.079 38.556 1.00 12.14 ? 88 PHE E CD2 1 ATOM 7464 C CE1 . PHE E 1 88 ? 31.332 3.668 40.229 1.00 13.12 ? 88 PHE E CE1 1 ATOM 7465 C CE2 . PHE E 1 88 ? 29.332 4.848 39.700 1.00 13.77 ? 88 PHE E CE2 1 ATOM 7466 C CZ . PHE E 1 88 ? 30.413 4.642 40.521 1.00 13.52 ? 88 PHE E CZ 1 ATOM 7467 N N . PRO E 1 89 ? 28.283 0.792 39.660 1.00 7.63 ? 89 PRO E N 1 ATOM 7468 C CA . PRO E 1 89 ? 29.380 0.111 40.357 1.00 8.15 ? 89 PRO E CA 1 ATOM 7469 C C . PRO E 1 89 ? 29.325 -1.382 40.131 1.00 8.02 ? 89 PRO E C 1 ATOM 7470 O O . PRO E 1 89 ? 28.252 -1.920 39.860 1.00 9.44 ? 89 PRO E O 1 ATOM 7471 C CB . PRO E 1 89 ? 29.090 0.380 41.848 1.00 9.25 ? 89 PRO E CB 1 ATOM 7472 C CG . PRO E 1 89 ? 27.993 1.305 41.891 1.00 10.56 ? 89 PRO E CG 1 ATOM 7473 C CD . PRO E 1 89 ? 27.255 1.246 40.614 1.00 8.77 ? 89 PRO E CD 1 ATOM 7474 N N . ALA E 1 90 ? 30.467 -2.053 40.245 1.00 7.31 ? 90 ALA E N 1 ATOM 7475 C CA . ALA E 1 90 ? 30.493 -3.502 40.112 1.00 7.98 ? 90 ALA E CA 1 ATOM 7476 C C . ALA E 1 90 ? 31.784 -4.033 40.696 1.00 6.67 ? 90 ALA E C 1 ATOM 7477 O O . ALA E 1 90 ? 32.833 -3.438 40.518 1.00 6.97 ? 90 ALA E O 1 ATOM 7478 C CB . ALA E 1 90 ? 30.409 -3.930 38.654 1.00 10.17 ? 90 ALA E CB 1 ATOM 7479 N N . PRO E 1 91 ? 31.719 -5.180 41.355 1.00 5.66 ? 91 PRO E N 1 ATOM 7480 C CA . PRO E 1 91 ? 32.959 -5.884 41.717 1.00 5.63 ? 91 PRO E CA 1 ATOM 7481 C C . PRO E 1 91 ? 33.782 -6.167 40.481 1.00 5.53 ? 91 PRO E C 1 ATOM 7482 O O . PRO E 1 91 ? 33.208 -6.411 39.407 1.00 6.94 ? 91 PRO E O 1 ATOM 7483 C CB . PRO E 1 91 ? 32.454 -7.198 42.318 1.00 7.68 ? 91 PRO E CB 1 ATOM 7484 C CG . PRO E 1 91 ? 31.064 -6.883 42.807 1.00 7.66 ? 91 PRO E CG 1 ATOM 7485 C CD . PRO E 1 91 ? 30.517 -5.923 41.793 1.00 6.76 ? 91 PRO E CD 1 ATOM 7486 N N . VAL E 1 92 ? 35.094 -6.240 40.654 1.00 5.05 ? 92 VAL E N 1 ATOM 7487 C CA . VAL E 1 92 ? 35.997 -6.530 39.549 1.00 4.94 ? 92 VAL E CA 1 ATOM 7488 C C . VAL E 1 92 ? 37.118 -7.418 40.017 1.00 3.87 ? 92 VAL E C 1 ATOM 7489 O O . VAL E 1 92 ? 37.535 -7.341 41.158 1.00 6.50 ? 92 VAL E O 1 ATOM 7490 C CB . VAL E 1 92 ? 36.540 -5.221 38.932 1.00 6.72 ? 92 VAL E CB 1 ATOM 7491 C CG1 . VAL E 1 92 ? 37.459 -4.489 39.884 1.00 7.93 ? 92 VAL E CG1 1 ATOM 7492 C CG2 . VAL E 1 92 ? 37.199 -5.451 37.597 1.00 7.36 ? 92 VAL E CG2 1 ATOM 7493 N N . HIS E 1 93 ? 37.589 -8.270 39.121 1.00 4.30 ? 93 HIS E N 1 ATOM 7494 C CA . HIS E 1 93 ? 38.829 -9.001 39.282 1.00 3.30 ? 93 HIS E CA 1 ATOM 7495 C C . HIS E 1 93 ? 39.827 -8.415 38.287 1.00 3.31 ? 93 HIS E C 1 ATOM 7496 O O . HIS E 1 93 ? 39.534 -8.312 37.124 1.00 4.55 ? 93 HIS E O 1 ATOM 7497 C CB . HIS E 1 93 ? 38.649 -10.496 39.029 1.00 4.53 ? 93 HIS E CB 1 ATOM 7498 C CG . HIS E 1 93 ? 39.882 -11.272 39.301 1.00 5.22 ? 93 HIS E CG 1 ATOM 7499 N ND1 . HIS E 1 93 ? 40.760 -11.644 38.307 1.00 5.48 ? 93 HIS E ND1 1 ATOM 7500 C CD2 . HIS E 1 93 ? 40.439 -11.668 40.472 1.00 5.71 ? 93 HIS E CD2 1 ATOM 7501 C CE1 . HIS E 1 93 ? 41.788 -12.266 38.860 1.00 5.44 ? 93 HIS E CE1 1 ATOM 7502 N NE2 . HIS E 1 93 ? 41.606 -12.314 40.166 1.00 6.26 ? 93 HIS E NE2 1 ATOM 7503 N N . ILE E 1 94 ? 40.963 -7.976 38.799 1.00 3.78 ? 94 ILE E N 1 ATOM 7504 C CA . ILE E 1 94 ? 41.999 -7.318 38.025 1.00 5.21 ? 94 ILE E CA 1 ATOM 7505 C C . ILE E 1 94 ? 43.272 -8.102 38.112 1.00 5.17 ? 94 ILE E C 1 ATOM 7506 O O . ILE E 1 94 ? 43.749 -8.424 39.195 1.00 6.14 ? 94 ILE E O 1 ATOM 7507 C CB . ILE E 1 94 ? 42.278 -5.918 38.578 1.00 6.91 ? 94 ILE E CB 1 ATOM 7508 C CG1 . ILE E 1 94 ? 41.008 -5.054 38.492 1.00 8.36 ? 94 ILE E CG1 1 ATOM 7509 C CG2 . ILE E 1 94 ? 43.440 -5.257 37.827 1.00 8.56 ? 94 ILE E CG2 1 ATOM 7510 C CD1 . ILE E 1 94 ? 41.077 -3.807 39.366 1.00 10.87 ? 94 ILE E CD1 1 ATOM 7511 N N A CYS E 1 95 ? 43.849 -8.446 36.963 0.58 4.87 ? 95 CYS E N 1 ATOM 7512 N N B CYS E 1 95 ? 43.902 -8.301 36.968 0.42 5.85 ? 95 CYS E N 1 ATOM 7513 C CA A CYS E 1 95 ? 45.211 -8.952 36.899 0.58 5.71 ? 95 CYS E CA 1 ATOM 7514 C CA B CYS E 1 95 ? 45.189 -8.949 36.914 0.42 7.35 ? 95 CYS E CA 1 ATOM 7515 C C A CYS E 1 95 ? 45.992 -8.010 35.981 0.58 4.08 ? 95 CYS E C 1 ATOM 7516 C C B CYS E 1 95 ? 46.053 -8.201 35.899 0.42 5.88 ? 95 CYS E C 1 ATOM 7517 O O A CYS E 1 95 ? 45.467 -7.479 34.996 0.58 3.13 ? 95 CYS E O 1 ATOM 7518 O O B CYS E 1 95 ? 45.623 -7.961 34.773 0.42 6.79 ? 95 CYS E O 1 ATOM 7519 C CB A CYS E 1 95 ? 45.306 -10.373 36.322 0.58 7.60 ? 95 CYS E CB 1 ATOM 7520 C CB B CYS E 1 95 ? 45.006 -10.398 36.504 0.42 9.72 ? 95 CYS E CB 1 ATOM 7521 S SG A CYS E 1 95 ? 44.789 -11.779 37.396 0.58 9.63 ? 95 CYS E SG 1 ATOM 7522 S SG B CYS E 1 95 ? 46.514 -11.309 36.327 0.42 11.66 ? 95 CYS E SG 1 ATOM 7523 N N . VAL E 1 96 ? 47.248 -7.799 36.310 1.00 3.80 ? 96 VAL E N 1 ATOM 7524 C CA . VAL E 1 96 ? 48.163 -7.110 35.439 1.00 4.42 ? 96 VAL E CA 1 ATOM 7525 C C . VAL E 1 96 ? 49.520 -7.781 35.509 1.00 3.95 ? 96 VAL E C 1 ATOM 7526 O O . VAL E 1 96 ? 50.015 -8.102 36.584 1.00 4.37 ? 96 VAL E O 1 ATOM 7527 C CB . VAL E 1 96 ? 48.227 -5.600 35.742 1.00 5.96 ? 96 VAL E CB 1 ATOM 7528 C CG1 . VAL E 1 96 ? 48.761 -5.332 37.132 1.00 8.09 ? 96 VAL E CG1 1 ATOM 7529 C CG2 . VAL E 1 96 ? 49.011 -4.901 34.653 1.00 7.62 ? 96 VAL E CG2 1 ATOM 7530 N N . SER E 1 97 ? 50.127 -7.988 34.354 1.00 5.50 ? 97 SER E N 1 ATOM 7531 C CA . SER E 1 97 ? 51.477 -8.515 34.301 1.00 4.86 ? 97 SER E CA 1 ATOM 7532 C C . SER E 1 97 ? 52.346 -7.561 33.487 1.00 4.12 ? 97 SER E C 1 ATOM 7533 O O . SER E 1 97 ? 51.859 -6.790 32.644 1.00 5.16 ? 97 SER E O 1 ATOM 7534 C CB . SER E 1 97 ? 51.556 -9.889 33.669 1.00 6.33 ? 97 SER E CB 1 ATOM 7535 O OG . SER E 1 97 ? 51.208 -9.807 32.309 1.00 7.17 ? 97 SER E OG 1 ATOM 7536 N N . TRP E 1 98 ? 53.639 -7.643 33.722 1.00 4.50 ? 98 TRP E N 1 ATOM 7537 C CA . TRP E 1 98 ? 54.621 -6.889 32.955 1.00 4.01 ? 98 TRP E CA 1 ATOM 7538 C C . TRP E 1 98 ? 55.894 -7.712 32.814 1.00 4.18 ? 98 TRP E C 1 ATOM 7539 O O . TRP E 1 98 ? 56.324 -8.406 33.738 1.00 5.44 ? 98 TRP E O 1 ATOM 7540 C CB . TRP E 1 98 ? 54.881 -5.533 33.608 1.00 4.38 ? 98 TRP E CB 1 ATOM 7541 C CG . TRP E 1 98 ? 55.942 -4.725 32.939 1.00 5.48 ? 98 TRP E CG 1 ATOM 7542 C CD1 . TRP E 1 98 ? 55.811 -3.931 31.814 1.00 6.06 ? 98 TRP E CD1 1 ATOM 7543 C CD2 . TRP E 1 98 ? 57.307 -4.622 33.344 1.00 5.84 ? 98 TRP E CD2 1 ATOM 7544 N NE1 . TRP E 1 98 ? 57.010 -3.326 31.528 1.00 7.08 ? 98 TRP E NE1 1 ATOM 7545 C CE2 . TRP E 1 98 ? 57.942 -3.729 32.451 1.00 6.92 ? 98 TRP E CE2 1 ATOM 7546 C CE3 . TRP E 1 98 ? 58.055 -5.169 34.398 1.00 6.84 ? 98 TRP E CE3 1 ATOM 7547 C CZ2 . TRP E 1 98 ? 59.281 -3.400 32.569 1.00 8.10 ? 98 TRP E CZ2 1 ATOM 7548 C CZ3 . TRP E 1 98 ? 59.397 -4.826 34.508 1.00 7.97 ? 98 TRP E CZ3 1 ATOM 7549 C CH2 . TRP E 1 98 ? 59.985 -3.956 33.608 1.00 7.69 ? 98 TRP E CH2 1 ATOM 7550 N N . GLU E 1 99 ? 56.475 -7.613 31.628 1.00 5.76 ? 99 GLU E N 1 ATOM 7551 C CA . GLU E 1 99 ? 57.632 -8.387 31.198 1.00 6.37 ? 99 GLU E CA 1 ATOM 7552 C C . GLU E 1 99 ? 58.698 -7.406 30.708 1.00 6.17 ? 99 GLU E C 1 ATOM 7553 O O . GLU E 1 99 ? 58.506 -6.776 29.689 1.00 7.19 ? 99 GLU E O 1 ATOM 7554 C CB . GLU E 1 99 ? 57.212 -9.302 30.036 1.00 8.01 ? 99 GLU E CB 1 ATOM 7555 C CG . GLU E 1 99 ? 58.263 -10.259 29.572 1.00 11.14 ? 99 GLU E CG 1 ATOM 7556 C CD . GLU E 1 99 ? 57.783 -11.058 28.415 1.00 15.04 ? 99 GLU E CD 1 ATOM 7557 O OE1 . GLU E 1 99 ? 57.361 -10.462 27.416 1.00 14.56 ? 99 GLU E OE1 1 ATOM 7558 O OE2 . GLU E 1 99 ? 57.789 -12.294 28.521 1.00 19.14 ? 99 GLU E OE2 1 ATOM 7559 N N . SER E 1 100 ? 59.813 -7.304 31.404 1.00 5.77 ? 100 SER E N 1 ATOM 7560 C CA . SER E 1 100 ? 60.861 -6.387 31.006 1.00 6.41 ? 100 SER E CA 1 ATOM 7561 C C . SER E 1 100 ? 61.384 -6.647 29.598 1.00 6.11 ? 100 SER E C 1 ATOM 7562 O O . SER E 1 100 ? 61.672 -5.718 28.853 1.00 6.78 ? 100 SER E O 1 ATOM 7563 C CB . SER E 1 100 ? 62.032 -6.493 31.971 1.00 6.89 ? 100 SER E CB 1 ATOM 7564 O OG . SER E 1 100 ? 63.094 -5.660 31.545 1.00 8.19 ? 100 SER E OG 1 ATOM 7565 N N . SER E 1 101 ? 61.533 -7.908 29.224 1.00 5.76 ? 101 SER E N 1 ATOM 7566 C CA . SER E 1 101 ? 62.243 -8.195 27.965 1.00 6.67 ? 101 SER E CA 1 ATOM 7567 C C . SER E 1 101 ? 61.525 -7.601 26.759 1.00 6.31 ? 101 SER E C 1 ATOM 7568 O O . SER E 1 101 ? 62.161 -7.139 25.818 1.00 8.72 ? 101 SER E O 1 ATOM 7569 C CB . SER E 1 101 ? 62.433 -9.689 27.798 1.00 9.77 ? 101 SER E CB 1 ATOM 7570 O OG . SER E 1 101 ? 61.186 -10.328 27.674 1.00 13.00 ? 101 SER E OG 1 ATOM 7571 N N . SER E 1 102 ? 60.201 -7.577 26.800 1.00 6.19 ? 102 SER E N 1 ATOM 7572 C CA . SER E 1 102 ? 59.407 -6.974 25.746 1.00 6.20 ? 102 SER E CA 1 ATOM 7573 C C . SER E 1 102 ? 58.822 -5.616 26.118 1.00 6.08 ? 102 SER E C 1 ATOM 7574 O O . SER E 1 102 ? 58.386 -4.895 25.225 1.00 7.54 ? 102 SER E O 1 ATOM 7575 C CB . SER E 1 102 ? 58.250 -7.900 25.419 1.00 6.58 ? 102 SER E CB 1 ATOM 7576 O OG . SER E 1 102 ? 57.412 -7.990 26.558 1.00 6.55 ? 102 SER E OG 1 ATOM 7577 N N . GLY E 1 103 ? 58.785 -5.287 27.412 1.00 4.92 ? 103 GLY E N 1 ATOM 7578 C CA . GLY E 1 103 ? 58.045 -4.139 27.905 1.00 5.70 ? 103 GLY E CA 1 ATOM 7579 C C . GLY E 1 103 ? 56.535 -4.301 27.961 1.00 4.51 ? 103 GLY E C 1 ATOM 7580 O O . GLY E 1 103 ? 55.829 -3.367 28.340 1.00 5.40 ? 103 GLY E O 1 ATOM 7581 N N . ILE E 1 104 ? 56.030 -5.479 27.611 1.00 4.66 ? 104 ILE E N 1 ATOM 7582 C CA . ILE E 1 104 ? 54.580 -5.641 27.452 1.00 5.19 ? 104 ILE E CA 1 ATOM 7583 C C . ILE E 1 104 ? 53.858 -5.737 28.791 1.00 4.42 ? 104 ILE E C 1 ATOM 7584 O O . ILE E 1 104 ? 54.241 -6.513 29.661 1.00 5.02 ? 104 ILE E O 1 ATOM 7585 C CB . ILE E 1 104 ? 54.218 -6.858 26.585 1.00 6.54 ? 104 ILE E CB 1 ATOM 7586 C CG1 . ILE E 1 104 ? 54.709 -6.667 25.147 1.00 7.62 ? 104 ILE E CG1 1 ATOM 7587 C CG2 . ILE E 1 104 ? 52.713 -7.134 26.622 1.00 7.54 ? 104 ILE E CG2 1 ATOM 7588 C CD1 . ILE E 1 104 ? 54.131 -5.503 24.416 1.00 9.67 ? 104 ILE E CD1 1 ATOM 7589 N N . ALA E 1 105 ? 52.839 -4.911 28.931 1.00 4.57 ? 105 ALA E N 1 ATOM 7590 C CA . ALA E 1 105 ? 51.925 -4.932 30.061 1.00 4.94 ? 105 ALA E CA 1 ATOM 7591 C C . ALA E 1 105 ? 50.591 -5.500 29.607 1.00 4.81 ? 105 ALA E C 1 ATOM 7592 O O . ALA E 1 105 ? 50.020 -5.029 28.625 1.00 6.29 ? 105 ALA E O 1 ATOM 7593 C CB . ALA E 1 105 ? 51.720 -3.535 30.598 1.00 6.00 ? 105 ALA E CB 1 ATOM 7594 N N . GLU E 1 106 ? 50.085 -6.484 30.350 1.00 5.00 ? 106 GLU E N 1 ATOM 7595 C CA . GLU E 1 106 ? 48.798 -7.114 30.059 1.00 6.22 ? 106 GLU E CA 1 ATOM 7596 C C . GLU E 1 106 ? 47.842 -6.908 31.202 1.00 4.54 ? 106 GLU E C 1 ATOM 7597 O O . GLU E 1 106 ? 48.067 -7.463 32.269 1.00 7.41 ? 106 GLU E O 1 ATOM 7598 C CB . GLU E 1 106 ? 48.934 -8.641 29.924 1.00 10.14 ? 106 GLU E CB 1 ATOM 7599 C CG . GLU E 1 106 ? 49.777 -9.141 28.815 1.00 12.60 ? 106 GLU E CG 1 ATOM 7600 C CD . GLU E 1 106 ? 49.732 -10.663 28.709 1.00 14.54 ? 106 GLU E CD 1 ATOM 7601 O OE1 . GLU E 1 106 ? 48.968 -11.345 29.462 1.00 15.13 ? 106 GLU E OE1 1 ATOM 7602 O OE2 . GLU E 1 106 ? 50.473 -11.184 27.856 1.00 16.19 ? 106 GLU E OE2 1 ATOM 7603 N N . PHE E 1 107 ? 46.774 -6.178 31.003 1.00 5.03 ? 107 PHE E N 1 ATOM 7604 C CA . PHE E 1 107 ? 45.658 -6.163 31.933 1.00 3.89 ? 107 PHE E CA 1 ATOM 7605 C C . PHE E 1 107 ? 44.644 -7.224 31.540 1.00 3.47 ? 107 PHE E C 1 ATOM 7606 O O . PHE E 1 107 ? 44.334 -7.392 30.366 1.00 4.56 ? 107 PHE E O 1 ATOM 7607 C CB . PHE E 1 107 ? 44.939 -4.796 31.925 1.00 5.50 ? 107 PHE E CB 1 ATOM 7608 C CG . PHE E 1 107 ? 45.523 -3.773 32.859 1.00 6.00 ? 107 PHE E CG 1 ATOM 7609 C CD1 . PHE E 1 107 ? 45.263 -3.831 34.205 1.00 6.40 ? 107 PHE E CD1 1 ATOM 7610 C CD2 . PHE E 1 107 ? 46.289 -2.736 32.384 1.00 6.10 ? 107 PHE E CD2 1 ATOM 7611 C CE1 . PHE E 1 107 ? 45.795 -2.885 35.067 1.00 6.77 ? 107 PHE E CE1 1 ATOM 7612 C CE2 . PHE E 1 107 ? 46.804 -1.785 33.238 1.00 5.94 ? 107 PHE E CE2 1 ATOM 7613 C CZ . PHE E 1 107 ? 46.558 -1.862 34.576 1.00 6.22 ? 107 PHE E CZ 1 ATOM 7614 N N . TRP E 1 108 ? 44.068 -7.878 32.544 1.00 4.21 ? 108 TRP E N 1 ATOM 7615 C CA . TRP E 1 108 ? 42.962 -8.809 32.384 1.00 3.81 ? 108 TRP E CA 1 ATOM 7616 C C . TRP E 1 108 ? 41.899 -8.408 33.406 1.00 3.20 ? 108 TRP E C 1 ATOM 7617 O O . TRP E 1 108 ? 42.186 -8.313 34.589 1.00 5.20 ? 108 TRP E O 1 ATOM 7618 C CB . TRP E 1 108 ? 43.394 -10.245 32.677 1.00 5.96 ? 108 TRP E CB 1 ATOM 7619 C CG . TRP E 1 108 ? 44.390 -10.792 31.702 1.00 6.94 ? 108 TRP E CG 1 ATOM 7620 C CD1 . TRP E 1 108 ? 45.695 -10.429 31.564 1.00 8.37 ? 108 TRP E CD1 1 ATOM 7621 C CD2 . TRP E 1 108 ? 44.149 -11.816 30.730 1.00 7.33 ? 108 TRP E CD2 1 ATOM 7622 N NE1 . TRP E 1 108 ? 46.284 -11.165 30.559 1.00 9.29 ? 108 TRP E NE1 1 ATOM 7623 C CE2 . TRP E 1 108 ? 45.360 -12.028 30.036 1.00 8.23 ? 108 TRP E CE2 1 ATOM 7624 C CE3 . TRP E 1 108 ? 43.035 -12.593 30.394 1.00 7.77 ? 108 TRP E CE3 1 ATOM 7625 C CZ2 . TRP E 1 108 ? 45.480 -12.966 29.013 1.00 9.34 ? 108 TRP E CZ2 1 ATOM 7626 C CZ3 . TRP E 1 108 ? 43.161 -13.521 29.367 1.00 9.61 ? 108 TRP E CZ3 1 ATOM 7627 C CH2 . TRP E 1 108 ? 44.375 -13.688 28.692 1.00 9.50 ? 108 TRP E CH2 1 ATOM 7628 N N . ILE E 1 109 ? 40.700 -8.130 32.937 1.00 3.52 ? 109 ILE E N 1 ATOM 7629 C CA . ILE E 1 109 ? 39.613 -7.680 33.779 1.00 4.25 ? 109 ILE E CA 1 ATOM 7630 C C . ILE E 1 109 ? 38.523 -8.710 33.702 1.00 5.06 ? 109 ILE E C 1 ATOM 7631 O O . ILE E 1 109 ? 38.009 -8.975 32.631 1.00 6.76 ? 109 ILE E O 1 ATOM 7632 C CB . ILE E 1 109 ? 39.084 -6.306 33.276 1.00 6.22 ? 109 ILE E CB 1 ATOM 7633 C CG1 . ILE E 1 109 ? 40.221 -5.264 33.240 1.00 7.41 ? 109 ILE E CG1 1 ATOM 7634 C CG2 . ILE E 1 109 ? 37.898 -5.873 34.104 1.00 7.55 ? 109 ILE E CG2 1 ATOM 7635 C CD1 . ILE E 1 109 ? 40.877 -4.967 34.595 1.00 9.26 ? 109 ILE E CD1 1 ATOM 7636 N N . ASN E 1 110 ? 38.158 -9.275 34.847 1.00 5.33 ? 110 ASN E N 1 ATOM 7637 C CA . ASN E 1 110 ? 37.183 -10.372 34.910 1.00 7.11 ? 110 ASN E CA 1 ATOM 7638 C C . ASN E 1 110 ? 37.511 -11.444 33.893 1.00 7.63 ? 110 ASN E C 1 ATOM 7639 O O . ASN E 1 110 ? 36.617 -11.983 33.228 1.00 10.91 ? 110 ASN E O 1 ATOM 7640 C CB . ASN E 1 110 ? 35.753 -9.850 34.722 1.00 9.48 ? 110 ASN E CB 1 ATOM 7641 C CG . ASN E 1 110 ? 35.368 -8.855 35.784 1.00 9.77 ? 110 ASN E CG 1 ATOM 7642 O OD1 . ASN E 1 110 ? 35.819 -8.947 36.933 1.00 9.01 ? 110 ASN E OD1 1 ATOM 7643 N ND2 . ASN E 1 110 ? 34.555 -7.873 35.416 1.00 12.68 ? 110 ASN E ND2 1 ATOM 7644 N N . GLY E 1 111 ? 38.786 -11.777 33.803 1.00 7.59 ? 111 GLY E N 1 ATOM 7645 C CA . GLY E 1 111 ? 39.220 -12.867 32.951 1.00 8.81 ? 111 GLY E CA 1 ATOM 7646 C C . GLY E 1 111 ? 39.291 -12.552 31.460 1.00 9.94 ? 111 GLY E C 1 ATOM 7647 O O . GLY E 1 111 ? 39.548 -13.459 30.667 1.00 12.74 ? 111 GLY E O 1 ATOM 7648 N N A THR E 1 112 ? 39.080 -11.299 31.089 0.63 9.17 ? 112 THR E N 1 ATOM 7649 N N B THR E 1 112 ? 39.055 -11.294 31.082 0.37 9.82 ? 112 THR E N 1 ATOM 7650 C CA A THR E 1 112 ? 39.179 -10.924 29.695 0.63 9.06 ? 112 THR E CA 1 ATOM 7651 C CA B THR E 1 112 ? 39.099 -10.868 29.675 0.37 9.77 ? 112 THR E CA 1 ATOM 7652 C C A THR E 1 112 ? 40.366 -10.017 29.472 0.63 6.21 ? 112 THR E C 1 ATOM 7653 C C B THR E 1 112 ? 40.312 -9.971 29.439 0.37 7.02 ? 112 THR E C 1 ATOM 7654 O O A THR E 1 112 ? 40.641 -9.092 30.232 0.63 5.71 ? 112 THR E O 1 ATOM 7655 O O B THR E 1 112 ? 40.560 -9.021 30.184 0.37 6.72 ? 112 THR E O 1 ATOM 7656 C CB A THR E 1 112 ? 37.919 -10.250 29.178 0.63 11.74 ? 112 THR E CB 1 ATOM 7657 C CB B THR E 1 112 ? 37.769 -10.172 29.219 0.37 12.29 ? 112 THR E CB 1 ATOM 7658 O OG1 A THR E 1 112 ? 37.860 -8.910 29.626 0.63 14.24 ? 112 THR E OG1 1 ATOM 7659 O OG1 B THR E 1 112 ? 37.959 -9.421 28.002 0.37 12.81 ? 112 THR E OG1 1 ATOM 7660 C CG2 A THR E 1 112 ? 36.688 -10.983 29.625 0.63 10.07 ? 112 THR E CG2 1 ATOM 7661 C CG2 B THR E 1 112 ? 37.246 -9.259 30.249 0.37 13.08 ? 112 THR E CG2 1 ATOM 7662 N N . PRO E 1 113 ? 41.101 -10.284 28.400 1.00 4.93 ? 113 PRO E N 1 ATOM 7663 C CA . PRO E 1 113 ? 42.293 -9.492 28.149 1.00 4.99 ? 113 PRO E CA 1 ATOM 7664 C C . PRO E 1 113 ? 42.001 -8.155 27.514 1.00 4.33 ? 113 PRO E C 1 ATOM 7665 O O . PRO E 1 113 ? 41.226 -8.069 26.564 1.00 5.51 ? 113 PRO E O 1 ATOM 7666 C CB . PRO E 1 113 ? 43.095 -10.385 27.206 1.00 6.15 ? 113 PRO E CB 1 ATOM 7667 C CG . PRO E 1 113 ? 42.056 -11.162 26.455 1.00 6.92 ? 113 PRO E CG 1 ATOM 7668 C CD . PRO E 1 113 ? 40.969 -11.422 27.471 1.00 6.10 ? 113 PRO E CD 1 ATOM 7669 N N . LEU E 1 114 ? 42.613 -7.114 28.063 1.00 4.56 ? 114 LEU E N 1 ATOM 7670 C CA . LEU E 1 114 ? 42.607 -5.791 27.471 1.00 4.00 ? 114 LEU E CA 1 ATOM 7671 C C . LEU E 1 114 ? 43.676 -5.725 26.370 1.00 3.76 ? 114 LEU E C 1 ATOM 7672 O O . LEU E 1 114 ? 44.509 -6.614 26.232 1.00 4.85 ? 114 LEU E O 1 ATOM 7673 C CB . LEU E 1 114 ? 42.855 -4.712 28.527 1.00 5.33 ? 114 LEU E CB 1 ATOM 7674 C CG . LEU E 1 114 ? 41.887 -4.671 29.701 1.00 7.59 ? 114 LEU E CG 1 ATOM 7675 C CD1 . LEU E 1 114 ? 41.923 -3.291 30.377 1.00 6.46 ? 114 LEU E CD1 1 ATOM 7676 C CD2 . LEU E 1 114 ? 40.485 -5.093 29.363 1.00 8.97 ? 114 LEU E CD2 1 ATOM 7677 N N . VAL E 1 115 ? 43.658 -4.653 25.594 1.00 4.22 ? 115 VAL E N 1 ATOM 7678 C CA . VAL E 1 115 ? 44.690 -4.454 24.591 1.00 4.26 ? 115 VAL E CA 1 ATOM 7679 C C . VAL E 1 115 ? 46.050 -4.329 25.284 1.00 4.14 ? 115 VAL E C 1 ATOM 7680 O O . VAL E 1 115 ? 46.202 -3.597 26.244 1.00 4.86 ? 115 VAL E O 1 ATOM 7681 C CB . VAL E 1 115 ? 44.417 -3.195 23.766 1.00 4.56 ? 115 VAL E CB 1 ATOM 7682 C CG1 . VAL E 1 115 ? 45.553 -2.962 22.752 1.00 5.24 ? 115 VAL E CG1 1 ATOM 7683 C CG2 . VAL E 1 115 ? 43.078 -3.288 23.040 1.00 5.04 ? 115 VAL E CG2 1 ATOM 7684 N N . LYS E 1 116 ? 47.041 -5.066 24.793 1.00 4.68 ? 116 LYS E N 1 ATOM 7685 C CA . LYS E 1 116 ? 48.408 -4.974 25.317 1.00 5.32 ? 116 LYS E CA 1 ATOM 7686 C C . LYS E 1 116 ? 49.012 -3.598 25.068 1.00 5.57 ? 116 LYS E C 1 ATOM 7687 O O . LYS E 1 116 ? 48.765 -2.984 24.021 1.00 7.37 ? 116 LYS E O 1 ATOM 7688 C CB . LYS E 1 116 ? 49.313 -6.020 24.662 1.00 6.66 ? 116 LYS E CB 1 ATOM 7689 C CG . LYS E 1 116 ? 49.139 -7.446 25.180 1.00 8.28 ? 116 LYS E CG 1 ATOM 7690 C CD . LYS E 1 116 ? 49.848 -8.432 24.231 1.00 9.34 ? 116 LYS E CD 1 ATOM 7691 C CE . LYS E 1 116 ? 50.098 -9.803 24.851 1.00 11.54 ? 116 LYS E CE 1 ATOM 7692 N NZ . LYS E 1 116 ? 48.853 -10.606 24.996 1.00 12.89 ? 116 LYS E NZ 1 ATOM 7693 N N . LYS E 1 117 ? 49.790 -3.107 26.029 1.00 4.96 ? 117 LYS E N 1 ATOM 7694 C CA . LYS E 1 117 ? 50.561 -1.880 25.850 1.00 5.50 ? 117 LYS E CA 1 ATOM 7695 C C . LYS E 1 117 ? 51.978 -2.179 26.271 1.00 5.54 ? 117 LYS E C 1 ATOM 7696 O O . LYS E 1 117 ? 52.261 -3.257 26.775 1.00 8.88 ? 117 LYS E O 1 ATOM 7697 C CB . LYS E 1 117 ? 49.956 -0.738 26.684 1.00 7.22 ? 117 LYS E CB 1 ATOM 7698 C CG . LYS E 1 117 ? 48.482 -0.425 26.330 1.00 7.34 ? 117 LYS E CG 1 ATOM 7699 C CD . LYS E 1 117 ? 48.331 0.170 24.933 1.00 7.95 ? 117 LYS E CD 1 ATOM 7700 C CE . LYS E 1 117 ? 46.888 0.150 24.436 1.00 8.97 ? 117 LYS E CE 1 ATOM 7701 N NZ . LYS E 1 117 ? 45.983 0.991 25.245 1.00 9.76 ? 117 LYS E NZ 1 ATOM 7702 N N . GLY E 1 118 ? 52.891 -1.263 25.994 1.00 5.83 ? 118 GLY E N 1 ATOM 7703 C CA . GLY E 1 118 ? 54.288 -1.502 26.307 1.00 5.76 ? 118 GLY E CA 1 ATOM 7704 C C . GLY E 1 118 ? 54.996 -0.303 26.866 1.00 5.95 ? 118 GLY E C 1 ATOM 7705 O O . GLY E 1 118 ? 54.748 0.821 26.441 1.00 7.09 ? 118 GLY E O 1 ATOM 7706 N N . LEU E 1 119 ? 55.872 -0.558 27.828 1.00 4.56 ? 119 LEU E N 1 ATOM 7707 C CA . LEU E 1 119 ? 56.663 0.485 28.455 1.00 5.23 ? 119 LEU E CA 1 ATOM 7708 C C . LEU E 1 119 ? 57.875 -0.121 29.135 1.00 5.05 ? 119 LEU E C 1 ATOM 7709 O O . LEU E 1 119 ? 57.874 -1.285 29.516 1.00 5.50 ? 119 LEU E O 1 ATOM 7710 C CB . LEU E 1 119 ? 55.857 1.273 29.505 1.00 5.05 ? 119 LEU E CB 1 ATOM 7711 C CG . LEU E 1 119 ? 55.524 0.585 30.838 1.00 5.46 ? 119 LEU E CG 1 ATOM 7712 C CD1 . LEU E 1 119 ? 54.883 1.615 31.764 1.00 5.81 ? 119 LEU E CD1 1 ATOM 7713 C CD2 . LEU E 1 119 ? 54.622 -0.651 30.660 1.00 5.20 ? 119 LEU E CD2 1 ATOM 7714 N N . ARG E 1 120 ? 58.907 0.702 29.281 1.00 4.86 ? 120 ARG E N 1 ATOM 7715 C CA . ARG E 1 120 ? 60.065 0.346 30.081 1.00 5.00 ? 120 ARG E CA 1 ATOM 7716 C C . ARG E 1 120 ? 60.737 -0.972 29.676 1.00 4.96 ? 120 ARG E C 1 ATOM 7717 O O . ARG E 1 120 ? 61.275 -1.707 30.507 1.00 5.65 ? 120 ARG E O 1 ATOM 7718 C CB . ARG E 1 120 ? 59.672 0.362 31.568 1.00 5.46 ? 120 ARG E CB 1 ATOM 7719 C CG . ARG E 1 120 ? 59.480 1.760 32.111 1.00 5.96 ? 120 ARG E CG 1 ATOM 7720 C CD . ARG E 1 120 ? 60.813 2.400 32.226 1.00 8.21 ? 120 ARG E CD 1 ATOM 7721 N NE . ARG E 1 120 ? 60.834 3.460 33.219 1.00 8.40 ? 120 ARG E NE 1 ATOM 7722 C CZ . ARG E 1 120 ? 61.860 4.292 33.373 1.00 9.01 ? 120 ARG E CZ 1 ATOM 7723 N NH1 . ARG E 1 120 ? 62.915 4.201 32.572 1.00 10.44 ? 120 ARG E NH1 1 ATOM 7724 N NH2 . ARG E 1 120 ? 61.827 5.220 34.304 1.00 11.23 ? 120 ARG E NH2 1 ATOM 7725 N N . GLN E 1 121 ? 60.792 -1.248 28.383 1.00 4.92 ? 121 GLN E N 1 ATOM 7726 C CA . GLN E 1 121 ? 61.503 -2.438 27.923 1.00 5.03 ? 121 GLN E CA 1 ATOM 7727 C C . GLN E 1 121 ? 62.959 -2.405 28.421 1.00 5.78 ? 121 GLN E C 1 ATOM 7728 O O . GLN E 1 121 ? 63.652 -1.391 28.251 1.00 7.15 ? 121 GLN E O 1 ATOM 7729 C CB . GLN E 1 121 ? 61.459 -2.533 26.399 1.00 5.86 ? 121 GLN E CB 1 ATOM 7730 C CG . GLN E 1 121 ? 62.185 -3.729 25.848 1.00 6.87 ? 121 GLN E CG 1 ATOM 7731 C CD . GLN E 1 121 ? 62.094 -3.796 24.354 1.00 7.79 ? 121 GLN E CD 1 ATOM 7732 O OE1 . GLN E 1 121 ? 62.106 -2.764 23.674 1.00 9.47 ? 121 GLN E OE1 1 ATOM 7733 N NE2 . GLN E 1 121 ? 61.986 -4.995 23.830 1.00 9.15 ? 121 GLN E NE2 1 ATOM 7734 N N . GLY E 1 122 ? 63.401 -3.498 29.045 1.00 5.76 ? 122 GLY E N 1 ATOM 7735 C CA . GLY E 1 122 ? 64.768 -3.608 29.555 1.00 6.41 ? 122 GLY E CA 1 ATOM 7736 C C . GLY E 1 122 ? 64.981 -3.119 30.970 1.00 5.80 ? 122 GLY E C 1 ATOM 7737 O O . GLY E 1 122 ? 66.026 -3.371 31.563 1.00 8.12 ? 122 GLY E O 1 ATOM 7738 N N . TYR E 1 123 ? 63.980 -2.430 31.515 1.00 6.13 ? 123 TYR E N 1 ATOM 7739 C CA . TYR E 1 123 ? 64.054 -1.907 32.871 1.00 5.84 ? 123 TYR E CA 1 ATOM 7740 C C . TYR E 1 123 ? 63.877 -3.002 33.922 1.00 6.58 ? 123 TYR E C 1 ATOM 7741 O O . TYR E 1 123 ? 63.296 -4.047 33.649 1.00 6.74 ? 123 TYR E O 1 ATOM 7742 C CB . TYR E 1 123 ? 62.933 -0.865 33.020 1.00 6.45 ? 123 TYR E CB 1 ATOM 7743 C CG . TYR E 1 123 ? 62.890 -0.102 34.323 1.00 5.93 ? 123 TYR E CG 1 ATOM 7744 C CD1 . TYR E 1 123 ? 63.824 0.884 34.600 1.00 6.78 ? 123 TYR E CD1 1 ATOM 7745 C CD2 . TYR E 1 123 ? 61.861 -0.314 35.233 1.00 5.74 ? 123 TYR E CD2 1 ATOM 7746 C CE1 . TYR E 1 123 ? 63.773 1.592 35.779 1.00 7.57 ? 123 TYR E CE1 1 ATOM 7747 C CE2 . TYR E 1 123 ? 61.798 0.391 36.405 1.00 6.58 ? 123 TYR E CE2 1 ATOM 7748 C CZ . TYR E 1 123 ? 62.757 1.339 36.679 1.00 7.03 ? 123 TYR E CZ 1 ATOM 7749 O OH . TYR E 1 123 ? 62.737 2.064 37.850 1.00 9.30 ? 123 TYR E OH 1 ATOM 7750 N N . PHE E 1 124 ? 64.404 -2.771 35.119 1.00 7.22 ? 124 PHE E N 1 ATOM 7751 C CA . PHE E 1 124 ? 64.100 -3.631 36.258 1.00 8.57 ? 124 PHE E CA 1 ATOM 7752 C C . PHE E 1 124 ? 63.418 -2.786 37.313 1.00 7.96 ? 124 PHE E C 1 ATOM 7753 O O . PHE E 1 124 ? 63.929 -1.740 37.697 1.00 9.19 ? 124 PHE E O 1 ATOM 7754 C CB . PHE E 1 124 ? 65.368 -4.240 36.852 1.00 11.06 ? 124 PHE E CB 1 ATOM 7755 C CG . PHE E 1 124 ? 65.922 -5.422 36.103 1.00 12.90 ? 124 PHE E CG 1 ATOM 7756 C CD1 . PHE E 1 124 ? 66.450 -5.287 34.836 1.00 13.88 ? 124 PHE E CD1 1 ATOM 7757 C CD2 . PHE E 1 124 ? 65.995 -6.663 36.725 1.00 14.93 ? 124 PHE E CD2 1 ATOM 7758 C CE1 . PHE E 1 124 ? 66.999 -6.379 34.171 1.00 15.62 ? 124 PHE E CE1 1 ATOM 7759 C CE2 . PHE E 1 124 ? 66.548 -7.759 36.068 1.00 15.91 ? 124 PHE E CE2 1 ATOM 7760 C CZ . PHE E 1 124 ? 67.047 -7.616 34.783 1.00 16.47 ? 124 PHE E CZ 1 ATOM 7761 N N . VAL E 1 125 ? 62.279 -3.254 37.809 1.00 7.72 ? 125 VAL E N 1 ATOM 7762 C CA . VAL E 1 125 ? 61.592 -2.566 38.900 1.00 8.02 ? 125 VAL E CA 1 ATOM 7763 C C . VAL E 1 125 ? 62.433 -2.688 40.156 1.00 8.79 ? 125 VAL E C 1 ATOM 7764 O O . VAL E 1 125 ? 62.856 -3.776 40.526 1.00 9.12 ? 125 VAL E O 1 ATOM 7765 C CB . VAL E 1 125 ? 60.206 -3.170 39.125 1.00 8.56 ? 125 VAL E CB 1 ATOM 7766 C CG1 . VAL E 1 125 ? 59.546 -2.592 40.382 1.00 8.31 ? 125 VAL E CG1 1 ATOM 7767 C CG2 . VAL E 1 125 ? 59.306 -2.958 37.906 1.00 10.17 ? 125 VAL E CG2 1 ATOM 7768 N N . GLU E 1 126 ? 62.687 -1.558 40.804 1.00 8.21 ? 126 GLU E N 1 ATOM 7769 C CA . GLU E 1 126 ? 63.575 -1.529 41.956 1.00 9.85 ? 126 GLU E CA 1 ATOM 7770 C C . GLU E 1 126 ? 62.984 -2.291 43.147 1.00 10.73 ? 126 GLU E C 1 ATOM 7771 O O . GLU E 1 126 ? 61.761 -2.346 43.315 1.00 9.77 ? 126 GLU E O 1 ATOM 7772 C CB . GLU E 1 126 ? 63.898 -0.078 42.327 1.00 12.24 ? 126 GLU E CB 1 ATOM 7773 C CG . GLU E 1 126 ? 64.934 0.087 43.434 1.00 16.60 ? 126 GLU E CG 1 ATOM 7774 C CD . GLU E 1 126 ? 66.269 -0.586 43.103 1.00 21.33 ? 126 GLU E CD 1 ATOM 7775 O OE1 . GLU E 1 126 ? 67.085 0.020 42.371 1.00 23.05 ? 126 GLU E OE1 1 ATOM 7776 O OE2 . GLU E 1 126 ? 66.500 -1.727 43.566 1.00 23.97 ? 126 GLU E OE2 1 ATOM 7777 N N . ALA E 1 127 ? 63.884 -2.903 43.933 1.00 12.65 ? 127 ALA E N 1 ATOM 7778 C CA . ALA E 1 127 ? 63.555 -3.679 45.135 1.00 14.30 ? 127 ALA E CA 1 ATOM 7779 C C . ALA E 1 127 ? 63.471 -2.806 46.388 1.00 14.53 ? 127 ALA E C 1 ATOM 7780 O O . ALA E 1 127 ? 63.514 -1.570 46.317 1.00 14.50 ? 127 ALA E O 1 ATOM 7781 C CB . ALA E 1 127 ? 64.582 -4.813 45.338 1.00 15.40 ? 127 ALA E CB 1 ATOM 7782 N N . GLN E 1 128 ? 63.290 -3.470 47.527 1.00 13.72 ? 128 GLN E N 1 ATOM 7783 C CA . GLN E 1 128 ? 63.094 -2.801 48.821 1.00 13.71 ? 128 GLN E CA 1 ATOM 7784 C C . GLN E 1 128 ? 61.935 -1.784 48.783 1.00 11.30 ? 128 GLN E C 1 ATOM 7785 O O . GLN E 1 128 ? 62.080 -0.625 49.136 1.00 11.10 ? 128 GLN E O 1 ATOM 7786 C CB . GLN E 1 128 ? 64.398 -2.144 49.289 1.00 17.45 ? 128 GLN E CB 1 ATOM 7787 C CG . GLN E 1 128 ? 65.531 -3.171 49.549 1.00 22.37 ? 128 GLN E CG 1 ATOM 7788 C CD . GLN E 1 128 ? 66.623 -2.652 50.481 1.00 28.13 ? 128 GLN E CD 1 ATOM 7789 O OE1 . GLN E 1 128 ? 66.472 -1.599 51.117 1.00 30.99 ? 128 GLN E OE1 1 ATOM 7790 N NE2 . GLN E 1 128 ? 67.724 -3.399 50.584 1.00 30.09 ? 128 GLN E NE2 1 ATOM 7791 N N . PRO E 1 129 ? 60.756 -2.234 48.353 1.00 10.46 ? 129 PRO E N 1 ATOM 7792 C CA . PRO E 1 129 ? 59.641 -1.297 48.251 1.00 9.62 ? 129 PRO E CA 1 ATOM 7793 C C . PRO E 1 129 ? 58.923 -1.054 49.565 1.00 9.55 ? 129 PRO E C 1 ATOM 7794 O O . PRO E 1 129 ? 59.057 -1.805 50.538 1.00 11.67 ? 129 PRO E O 1 ATOM 7795 C CB . PRO E 1 129 ? 58.668 -2.041 47.334 1.00 9.87 ? 129 PRO E CB 1 ATOM 7796 C CG . PRO E 1 129 ? 58.898 -3.459 47.681 1.00 10.68 ? 129 PRO E CG 1 ATOM 7797 C CD . PRO E 1 129 ? 60.385 -3.564 47.850 1.00 10.84 ? 129 PRO E CD 1 ATOM 7798 N N . LYS E 1 130 ? 58.154 0.018 49.577 1.00 8.13 ? 130 LYS E N 1 ATOM 7799 C CA . LYS E 1 130 ? 57.003 0.136 50.468 1.00 8.05 ? 130 LYS E CA 1 ATOM 7800 C C . LYS E 1 130 ? 55.776 -0.058 49.584 1.00 6.48 ? 130 LYS E C 1 ATOM 7801 O O . LYS E 1 130 ? 55.661 0.567 48.529 1.00 6.85 ? 130 LYS E O 1 ATOM 7802 C CB . LYS E 1 130 ? 56.961 1.503 51.139 1.00 10.45 ? 130 LYS E CB 1 ATOM 7803 C CG . LYS E 1 130 ? 58.093 1.740 52.102 1.00 14.36 ? 130 LYS E CG 1 ATOM 7804 C CD . LYS E 1 130 ? 57.894 1.032 53.387 1.00 18.62 ? 130 LYS E CD 1 ATOM 7805 C CE . LYS E 1 130 ? 58.932 1.479 54.428 1.00 21.77 ? 130 LYS E CE 1 ATOM 7806 N NZ . LYS E 1 130 ? 58.695 0.809 55.715 1.00 24.17 ? 130 LYS E NZ 1 ATOM 7807 N N . ILE E 1 131 ? 54.898 -0.955 50.013 1.00 6.41 ? 131 ILE E N 1 ATOM 7808 C CA . ILE E 1 131 ? 53.704 -1.319 49.273 1.00 5.21 ? 131 ILE E CA 1 ATOM 7809 C C . ILE E 1 131 ? 52.485 -0.962 50.103 1.00 5.11 ? 131 ILE E C 1 ATOM 7810 O O . ILE E 1 131 ? 52.358 -1.392 51.252 1.00 6.08 ? 131 ILE E O 1 ATOM 7811 C CB . ILE E 1 131 ? 53.679 -2.822 48.947 1.00 6.41 ? 131 ILE E CB 1 ATOM 7812 C CG1 . ILE E 1 131 ? 54.958 -3.208 48.184 1.00 7.87 ? 131 ILE E CG1 1 ATOM 7813 C CG2 . ILE E 1 131 ? 52.425 -3.170 48.134 1.00 7.29 ? 131 ILE E CG2 1 ATOM 7814 C CD1 . ILE E 1 131 ? 55.065 -4.691 47.838 1.00 8.74 ? 131 ILE E CD1 1 ATOM 7815 N N . VAL E 1 132 ? 51.592 -0.178 49.531 1.00 4.77 ? 132 VAL E N 1 ATOM 7816 C CA . VAL E 1 132 ? 50.436 0.324 50.247 1.00 5.61 ? 132 VAL E CA 1 ATOM 7817 C C . VAL E 1 132 ? 49.152 0.081 49.477 1.00 4.44 ? 132 VAL E C 1 ATOM 7818 O O . VAL E 1 132 ? 49.088 0.326 48.263 1.00 5.82 ? 132 VAL E O 1 ATOM 7819 C CB . VAL E 1 132 ? 50.607 1.848 50.494 1.00 6.43 ? 132 VAL E CB 1 ATOM 7820 C CG1 . VAL E 1 132 ? 49.351 2.465 51.130 1.00 7.02 ? 132 VAL E CG1 1 ATOM 7821 C CG2 . VAL E 1 132 ? 51.829 2.103 51.355 1.00 6.81 ? 132 VAL E CG2 1 ATOM 7822 N N . LEU E 1 133 ? 48.130 -0.362 50.217 1.00 5.12 ? 133 LEU E N 1 ATOM 7823 C CA . LEU E 1 133 ? 46.742 -0.359 49.769 1.00 5.24 ? 133 LEU E CA 1 ATOM 7824 C C . LEU E 1 133 ? 45.978 0.741 50.496 1.00 5.31 ? 133 LEU E C 1 ATOM 7825 O O . LEU E 1 133 ? 46.232 0.994 51.679 1.00 5.59 ? 133 LEU E O 1 ATOM 7826 C CB . LEU E 1 133 ? 46.057 -1.683 50.126 1.00 6.16 ? 133 LEU E CB 1 ATOM 7827 C CG . LEU E 1 133 ? 46.684 -2.973 49.618 1.00 6.92 ? 133 LEU E CG 1 ATOM 7828 C CD1 . LEU E 1 133 ? 45.807 -4.149 50.035 1.00 7.39 ? 133 LEU E CD1 1 ATOM 7829 C CD2 . LEU E 1 133 ? 46.890 -2.969 48.112 1.00 8.04 ? 133 LEU E CD2 1 ATOM 7830 N N . GLY E 1 134 ? 45.041 1.371 49.802 1.00 4.98 ? 134 GLY E N 1 ATOM 7831 C CA . GLY E 1 134 ? 44.142 2.367 50.376 1.00 5.25 ? 134 GLY E CA 1 ATOM 7832 C C . GLY E 1 134 ? 44.560 3.802 50.119 1.00 5.30 ? 134 GLY E C 1 ATOM 7833 O O . GLY E 1 134 ? 43.733 4.719 50.200 1.00 5.28 ? 134 GLY E O 1 ATOM 7834 N N . GLN E 1 135 ? 45.842 4.007 49.825 1.00 5.19 ? 135 GLN E N 1 ATOM 7835 C CA . GLN E 1 135 ? 46.369 5.339 49.534 1.00 4.81 ? 135 GLN E CA 1 ATOM 7836 C C . GLN E 1 135 ? 47.401 5.232 48.431 1.00 5.26 ? 135 GLN E C 1 ATOM 7837 O O . GLN E 1 135 ? 47.997 4.168 48.242 1.00 5.55 ? 135 GLN E O 1 ATOM 7838 C CB . GLN E 1 135 ? 47.008 5.971 50.768 1.00 5.20 ? 135 GLN E CB 1 ATOM 7839 C CG . GLN E 1 135 ? 46.070 6.071 51.956 1.00 5.82 ? 135 GLN E CG 1 ATOM 7840 C CD . GLN E 1 135 ? 45.025 7.159 51.842 1.00 5.68 ? 135 GLN E CD 1 ATOM 7841 O OE1 . GLN E 1 135 ? 45.140 8.111 51.060 1.00 7.53 ? 135 GLN E OE1 1 ATOM 7842 N NE2 . GLN E 1 135 ? 43.989 7.027 52.646 1.00 6.11 ? 135 GLN E NE2 1 ATOM 7843 N N . GLU E 1 136 ? 47.646 6.353 47.760 1.00 6.07 ? 136 GLU E N 1 ATOM 7844 C CA . GLU E 1 136 ? 48.685 6.477 46.750 1.00 5.16 ? 136 GLU E CA 1 ATOM 7845 C C . GLU E 1 136 ? 49.886 7.178 47.399 1.00 5.47 ? 136 GLU E C 1 ATOM 7846 O O . GLU E 1 136 ? 49.742 8.254 47.960 1.00 7.05 ? 136 GLU E O 1 ATOM 7847 C CB . GLU E 1 136 ? 48.146 7.300 45.572 1.00 5.97 ? 136 GLU E CB 1 ATOM 7848 C CG . GLU E 1 136 ? 48.839 7.057 44.247 1.00 6.61 ? 136 GLU E CG 1 ATOM 7849 C CD . GLU E 1 136 ? 50.176 7.718 44.123 1.00 6.97 ? 136 GLU E CD 1 ATOM 7850 O OE1 . GLU E 1 136 ? 50.311 8.910 44.456 1.00 7.00 ? 136 GLU E OE1 1 ATOM 7851 O OE2 . GLU E 1 136 ? 51.122 7.050 43.666 1.00 7.32 ? 136 GLU E OE2 1 ATOM 7852 N N . GLN E 1 137 ? 51.057 6.556 47.369 1.00 5.80 ? 137 GLN E N 1 ATOM 7853 C CA . GLN E 1 137 ? 52.251 7.170 47.946 1.00 6.34 ? 137 GLN E CA 1 ATOM 7854 C C . GLN E 1 137 ? 52.861 8.207 47.018 1.00 6.12 ? 137 GLN E C 1 ATOM 7855 O O . GLN E 1 137 ? 52.971 7.942 45.828 1.00 7.15 ? 137 GLN E O 1 ATOM 7856 C CB . GLN E 1 137 ? 53.320 6.102 48.154 1.00 7.29 ? 137 GLN E CB 1 ATOM 7857 C CG . GLN E 1 137 ? 53.012 5.043 49.171 1.00 7.75 ? 137 GLN E CG 1 ATOM 7858 C CD . GLN E 1 137 ? 54.049 3.946 49.143 1.00 7.76 ? 137 GLN E CD 1 ATOM 7859 O OE1 . GLN E 1 137 ? 55.095 4.070 49.781 1.00 8.69 ? 137 GLN E OE1 1 ATOM 7860 N NE2 . GLN E 1 137 ? 53.793 2.892 48.394 1.00 6.95 ? 137 GLN E NE2 1 ATOM 7861 N N . ASP E 1 138 ? 53.355 9.318 47.570 1.00 7.19 ? 138 ASP E N 1 ATOM 7862 C CA . ASP E 1 138 ? 54.258 10.207 46.845 1.00 8.68 ? 138 ASP E CA 1 ATOM 7863 C C . ASP E 1 138 ? 55.652 10.257 47.458 1.00 10.40 ? 138 ASP E C 1 ATOM 7864 O O . ASP E 1 138 ? 56.539 10.931 46.926 1.00 12.36 ? 138 ASP E O 1 ATOM 7865 C CB . ASP E 1 138 ? 53.702 11.625 46.720 1.00 8.66 ? 138 ASP E CB 1 ATOM 7866 C CG . ASP E 1 138 ? 52.554 11.708 45.749 1.00 8.30 ? 138 ASP E CG 1 ATOM 7867 O OD1 . ASP E 1 138 ? 52.453 10.841 44.865 1.00 8.21 ? 138 ASP E OD1 1 ATOM 7868 O OD2 . ASP E 1 138 ? 51.732 12.632 45.860 1.00 9.90 ? 138 ASP E OD2 1 ATOM 7869 N N . SER E 1 139 ? 55.840 9.555 48.564 1.00 11.01 ? 139 SER E N 1 ATOM 7870 C CA . SER E 1 139 ? 57.148 9.429 49.195 1.00 10.48 ? 139 SER E CA 1 ATOM 7871 C C . SER E 1 139 ? 57.366 7.958 49.495 1.00 10.85 ? 139 SER E C 1 ATOM 7872 O O . SER E 1 139 ? 56.559 7.114 49.113 1.00 11.27 ? 139 SER E O 1 ATOM 7873 C CB . SER E 1 139 ? 57.241 10.238 50.490 1.00 11.98 ? 139 SER E CB 1 ATOM 7874 O OG . SER E 1 139 ? 56.411 9.677 51.483 1.00 13.35 ? 139 SER E OG 1 ATOM 7875 N N . TYR E 1 140 ? 58.469 7.643 50.161 1.00 10.71 ? 140 TYR E N 1 ATOM 7876 C CA . TYR E 1 140 ? 58.745 6.269 50.530 1.00 11.66 ? 140 TYR E CA 1 ATOM 7877 C C . TYR E 1 140 ? 57.931 5.913 51.777 1.00 12.81 ? 140 TYR E C 1 ATOM 7878 O O . TYR E 1 140 ? 58.383 6.063 52.916 1.00 15.31 ? 140 TYR E O 1 ATOM 7879 C CB . TYR E 1 140 ? 60.255 6.070 50.708 1.00 11.99 ? 140 TYR E CB 1 ATOM 7880 C CG . TYR E 1 140 ? 60.698 4.641 50.939 1.00 12.69 ? 140 TYR E CG 1 ATOM 7881 C CD1 . TYR E 1 140 ? 60.431 3.647 49.994 1.00 12.12 ? 140 TYR E CD1 1 ATOM 7882 C CD2 . TYR E 1 140 ? 61.410 4.290 52.079 1.00 14.01 ? 140 TYR E CD2 1 ATOM 7883 C CE1 . TYR E 1 140 ? 60.834 2.348 50.186 1.00 12.42 ? 140 TYR E CE1 1 ATOM 7884 C CE2 . TYR E 1 140 ? 61.827 2.989 52.280 1.00 14.22 ? 140 TYR E CE2 1 ATOM 7885 C CZ . TYR E 1 140 ? 61.533 2.023 51.327 1.00 13.55 ? 140 TYR E CZ 1 ATOM 7886 O OH . TYR E 1 140 ? 61.947 0.734 51.522 1.00 14.79 ? 140 TYR E OH 1 ATOM 7887 N N . GLY E 1 141 ? 56.702 5.466 51.542 1.00 12.12 ? 141 GLY E N 1 ATOM 7888 C CA . GLY E 1 141 ? 55.812 5.058 52.611 1.00 12.70 ? 141 GLY E CA 1 ATOM 7889 C C . GLY E 1 141 ? 54.741 6.066 52.992 1.00 14.27 ? 141 GLY E C 1 ATOM 7890 O O . GLY E 1 141 ? 53.936 5.785 53.880 1.00 16.49 ? 141 GLY E O 1 ATOM 7891 N N . GLY E 1 142 ? 54.707 7.232 52.345 1.00 12.85 ? 142 GLY E N 1 ATOM 7892 C CA . GLY E 1 142 ? 53.804 8.294 52.773 1.00 12.82 ? 142 GLY E CA 1 ATOM 7893 C C . GLY E 1 142 ? 53.469 9.314 51.702 1.00 11.89 ? 142 GLY E C 1 ATOM 7894 O O . GLY E 1 142 ? 53.420 8.988 50.505 1.00 10.39 ? 142 GLY E O 1 ATOM 7895 N N . LYS E 1 143 ? 53.230 10.546 52.147 1.00 12.08 ? 143 LYS E N 1 ATOM 7896 C CA . LYS E 1 143 ? 52.767 11.650 51.322 1.00 12.38 ? 143 LYS E CA 1 ATOM 7897 C C . LYS E 1 143 ? 51.530 11.245 50.506 1.00 9.94 ? 143 LYS E C 1 ATOM 7898 O O . LYS E 1 143 ? 51.512 11.284 49.275 1.00 9.46 ? 143 LYS E O 1 ATOM 7899 C CB . LYS E 1 143 ? 53.903 12.202 50.432 1.00 15.60 ? 143 LYS E CB 1 ATOM 7900 C CG . LYS E 1 143 ? 54.962 13.042 51.137 1.00 20.66 ? 143 LYS E CG 1 ATOM 7901 C CD . LYS E 1 143 ? 55.910 13.619 50.096 1.00 24.61 ? 143 LYS E CD 1 ATOM 7902 C CE . LYS E 1 143 ? 57.180 14.214 50.732 1.00 27.47 ? 143 LYS E CE 1 ATOM 7903 N NZ . LYS E 1 143 ? 58.308 14.412 49.768 1.00 29.30 ? 143 LYS E NZ 1 ATOM 7904 N N . PHE E 1 144 ? 50.482 10.898 51.238 1.00 8.88 ? 144 PHE E N 1 ATOM 7905 C CA . PHE E 1 144 ? 49.222 10.477 50.666 1.00 8.36 ? 144 PHE E CA 1 ATOM 7906 C C . PHE E 1 144 ? 48.361 11.668 50.217 1.00 8.20 ? 144 PHE E C 1 ATOM 7907 O O . PHE E 1 144 ? 48.662 12.815 50.510 1.00 10.37 ? 144 PHE E O 1 ATOM 7908 C CB . PHE E 1 144 ? 48.454 9.635 51.694 1.00 8.55 ? 144 PHE E CB 1 ATOM 7909 C CG . PHE E 1 144 ? 49.206 8.445 52.207 1.00 8.87 ? 144 PHE E CG 1 ATOM 7910 C CD1 . PHE E 1 144 ? 49.980 7.666 51.376 1.00 8.74 ? 144 PHE E CD1 1 ATOM 7911 C CD2 . PHE E 1 144 ? 49.100 8.073 53.537 1.00 10.26 ? 144 PHE E CD2 1 ATOM 7912 C CE1 . PHE E 1 144 ? 50.640 6.527 51.865 1.00 9.19 ? 144 PHE E CE1 1 ATOM 7913 C CE2 . PHE E 1 144 ? 49.758 6.948 54.028 1.00 10.58 ? 144 PHE E CE2 1 ATOM 7914 C CZ . PHE E 1 144 ? 50.526 6.178 53.186 1.00 10.14 ? 144 PHE E CZ 1 ATOM 7915 N N . ASP E 1 145 ? 47.289 11.379 49.501 1.00 8.26 ? 145 ASP E N 1 ATOM 7916 C CA . ASP E 1 145 ? 46.418 12.386 48.916 1.00 8.42 ? 145 ASP E CA 1 ATOM 7917 C C . ASP E 1 145 ? 44.994 11.829 48.956 1.00 6.68 ? 145 ASP E C 1 ATOM 7918 O O . ASP E 1 145 ? 44.673 10.849 48.281 1.00 7.49 ? 145 ASP E O 1 ATOM 7919 C CB . ASP E 1 145 ? 46.890 12.646 47.479 1.00 9.13 ? 145 ASP E CB 1 ATOM 7920 C CG . ASP E 1 145 ? 45.967 13.527 46.659 1.00 10.74 ? 145 ASP E CG 1 ATOM 7921 O OD1 . ASP E 1 145 ? 44.879 13.911 47.127 1.00 11.26 ? 145 ASP E OD1 1 ATOM 7922 O OD2 . ASP E 1 145 ? 46.366 13.831 45.503 1.00 12.56 ? 145 ASP E OD2 1 ATOM 7923 N N . ARG E 1 146 ? 44.110 12.419 49.747 1.00 7.18 ? 146 ARG E N 1 ATOM 7924 C CA . ARG E 1 146 ? 42.792 11.805 49.929 1.00 7.36 ? 146 ARG E CA 1 ATOM 7925 C C . ARG E 1 146 ? 41.987 11.727 48.617 1.00 6.46 ? 146 ARG E C 1 ATOM 7926 O O . ARG E 1 146 ? 41.122 10.877 48.475 1.00 7.27 ? 146 ARG E O 1 ATOM 7927 C CB . ARG E 1 146 ? 41.989 12.476 51.059 1.00 9.60 ? 146 ARG E CB 1 ATOM 7928 C CG . ARG E 1 146 ? 41.584 13.872 50.752 1.00 10.29 ? 146 ARG E CG 1 ATOM 7929 C CD . ARG E 1 146 ? 40.764 14.433 51.925 1.00 10.63 ? 146 ARG E CD 1 ATOM 7930 N NE . ARG E 1 146 ? 39.427 13.836 52.013 1.00 11.02 ? 146 ARG E NE 1 ATOM 7931 C CZ . ARG E 1 146 ? 38.685 13.794 53.119 1.00 12.30 ? 146 ARG E CZ 1 ATOM 7932 N NH1 . ARG E 1 146 ? 39.166 14.251 54.264 1.00 14.31 ? 146 ARG E NH1 1 ATOM 7933 N NH2 . ARG E 1 146 ? 37.473 13.265 53.087 1.00 12.62 ? 146 ARG E NH2 1 ATOM 7934 N N A SER E 1 147 ? 42.297 12.584 47.657 0.74 6.49 ? 147 SER E N 1 ATOM 7935 N N B SER E 1 147 ? 42.307 12.588 47.655 0.26 6.94 ? 147 SER E N 1 ATOM 7936 C CA A SER E 1 147 ? 41.607 12.532 46.363 0.74 6.97 ? 147 SER E CA 1 ATOM 7937 C CA B SER E 1 147 ? 41.644 12.557 46.347 0.26 7.39 ? 147 SER E CA 1 ATOM 7938 C C A SER E 1 147 ? 42.038 11.354 45.492 0.74 5.97 ? 147 SER E C 1 ATOM 7939 C C B SER E 1 147 ? 42.009 11.324 45.520 0.26 6.82 ? 147 SER E C 1 ATOM 7940 O O A SER E 1 147 ? 41.474 11.138 44.408 0.74 6.40 ? 147 SER E O 1 ATOM 7941 O O B SER E 1 147 ? 41.382 11.050 44.492 0.26 7.13 ? 147 SER E O 1 ATOM 7942 C CB A SER E 1 147 ? 41.782 13.830 45.586 0.74 9.20 ? 147 SER E CB 1 ATOM 7943 C CB B SER E 1 147 ? 41.984 13.807 45.541 0.26 8.53 ? 147 SER E CB 1 ATOM 7944 O OG A SER E 1 147 ? 43.116 13.989 45.125 0.74 11.27 ? 147 SER E OG 1 ATOM 7945 O OG B SER E 1 147 ? 41.368 14.958 46.084 0.26 9.44 ? 147 SER E OG 1 ATOM 7946 N N . GLN E 1 148 ? 43.021 10.588 45.968 1.00 6.36 ? 148 GLN E N 1 ATOM 7947 C CA . GLN E 1 148 ? 43.481 9.382 45.282 1.00 5.90 ? 148 GLN E CA 1 ATOM 7948 C C . GLN E 1 148 ? 43.287 8.159 46.168 1.00 5.31 ? 148 GLN E C 1 ATOM 7949 O O . GLN E 1 148 ? 43.688 7.064 45.796 1.00 5.80 ? 148 GLN E O 1 ATOM 7950 C CB . GLN E 1 148 ? 44.965 9.499 44.939 1.00 5.99 ? 148 GLN E CB 1 ATOM 7951 C CG . GLN E 1 148 ? 45.264 10.611 43.998 1.00 7.72 ? 148 GLN E CG 1 ATOM 7952 C CD . GLN E 1 148 ? 46.712 10.680 43.657 1.00 9.24 ? 148 GLN E CD 1 ATOM 7953 O OE1 . GLN E 1 148 ? 47.563 10.710 44.528 1.00 8.20 ? 148 GLN E OE1 1 ATOM 7954 N NE2 . GLN E 1 148 ? 47.008 10.662 42.375 1.00 12.96 ? 148 GLN E NE2 1 ATOM 7955 N N . SER E 1 149 ? 42.678 8.324 47.333 1.00 5.40 ? 149 SER E N 1 ATOM 7956 C CA . SER E 1 149 ? 42.449 7.215 48.265 1.00 5.77 ? 149 SER E CA 1 ATOM 7957 C C . SER E 1 149 ? 41.410 6.228 47.739 1.00 4.93 ? 149 SER E C 1 ATOM 7958 O O . SER E 1 149 ? 40.485 6.576 46.998 1.00 6.11 ? 149 SER E O 1 ATOM 7959 C CB . SER E 1 149 ? 42.007 7.714 49.647 1.00 6.48 ? 149 SER E CB 1 ATOM 7960 O OG . SER E 1 149 ? 40.733 8.345 49.588 1.00 7.24 ? 149 SER E OG 1 ATOM 7961 N N . PHE E 1 150 ? 41.579 4.984 48.141 1.00 4.40 ? 150 PHE E N 1 ATOM 7962 C CA . PHE E 1 150 ? 40.649 3.916 47.783 1.00 4.29 ? 150 PHE E CA 1 ATOM 7963 C C . PHE E 1 150 ? 39.641 3.717 48.888 1.00 4.73 ? 150 PHE E C 1 ATOM 7964 O O . PHE E 1 150 ? 40.019 3.497 50.024 1.00 6.75 ? 150 PHE E O 1 ATOM 7965 C CB . PHE E 1 150 ? 41.393 2.605 47.501 1.00 4.67 ? 150 PHE E CB 1 ATOM 7966 C CG . PHE E 1 150 ? 40.463 1.459 47.209 1.00 4.47 ? 150 PHE E CG 1 ATOM 7967 C CD1 . PHE E 1 150 ? 39.944 1.281 45.944 1.00 5.68 ? 150 PHE E CD1 1 ATOM 7968 C CD2 . PHE E 1 150 ? 40.060 0.601 48.215 1.00 4.74 ? 150 PHE E CD2 1 ATOM 7969 C CE1 . PHE E 1 150 ? 39.054 0.241 45.683 1.00 6.45 ? 150 PHE E CE1 1 ATOM 7970 C CE2 . PHE E 1 150 ? 39.199 -0.448 47.943 1.00 6.04 ? 150 PHE E CE2 1 ATOM 7971 C CZ . PHE E 1 150 ? 38.684 -0.620 46.682 1.00 6.49 ? 150 PHE E CZ 1 ATOM 7972 N N . VAL E 1 151 ? 38.361 3.836 48.559 1.00 4.91 ? 151 VAL E N 1 ATOM 7973 C CA . VAL E 1 151 ? 37.262 3.614 49.491 1.00 4.74 ? 151 VAL E CA 1 ATOM 7974 C C . VAL E 1 151 ? 36.501 2.450 48.931 1.00 4.78 ? 151 VAL E C 1 ATOM 7975 O O . VAL E 1 151 ? 36.038 2.490 47.804 1.00 5.52 ? 151 VAL E O 1 ATOM 7976 C CB . VAL E 1 151 ? 36.362 4.842 49.617 1.00 5.61 ? 151 VAL E CB 1 ATOM 7977 C CG1 . VAL E 1 151 ? 35.276 4.585 50.637 1.00 6.36 ? 151 VAL E CG1 1 ATOM 7978 C CG2 . VAL E 1 151 ? 37.190 6.045 50.029 1.00 7.10 ? 151 VAL E CG2 1 ATOM 7979 N N . GLY E 1 152 ? 36.404 1.381 49.700 1.00 4.27 ? 152 GLY E N 1 ATOM 7980 C CA . GLY E 1 152 ? 35.758 0.164 49.247 1.00 5.02 ? 152 GLY E CA 1 ATOM 7981 C C . GLY E 1 152 ? 36.459 -1.044 49.803 1.00 3.66 ? 152 GLY E C 1 ATOM 7982 O O . GLY E 1 152 ? 37.040 -1.002 50.877 1.00 5.25 ? 152 GLY E O 1 ATOM 7983 N N . GLU E 1 153 ? 36.353 -2.139 49.080 1.00 3.68 ? 153 GLU E N 1 ATOM 7984 C CA . GLU E 1 153 ? 36.830 -3.431 49.559 1.00 2.90 ? 153 GLU E CA 1 ATOM 7985 C C . GLU E 1 153 ? 37.861 -4.029 48.581 1.00 3.74 ? 153 GLU E C 1 ATOM 7986 O O . GLU E 1 153 ? 37.674 -3.962 47.376 1.00 4.21 ? 153 GLU E O 1 ATOM 7987 C CB . GLU E 1 153 ? 35.637 -4.371 49.695 1.00 3.68 ? 153 GLU E CB 1 ATOM 7988 C CG . GLU E 1 153 ? 34.507 -3.778 50.551 1.00 5.62 ? 153 GLU E CG 1 ATOM 7989 C CD . GLU E 1 153 ? 33.324 -4.696 50.749 1.00 7.43 ? 153 GLU E CD 1 ATOM 7990 O OE1 . GLU E 1 153 ? 33.560 -5.904 50.940 1.00 7.75 ? 153 GLU E OE1 1 ATOM 7991 O OE2 . GLU E 1 153 ? 32.160 -4.207 50.734 1.00 8.71 ? 153 GLU E OE2 1 ATOM 7992 N N . ILE E 1 154 ? 38.896 -4.667 49.123 1.00 4.47 ? 154 ILE E N 1 ATOM 7993 C CA . ILE E 1 154 ? 39.911 -5.375 48.346 1.00 5.27 ? 154 ILE E CA 1 ATOM 7994 C C . ILE E 1 154 ? 40.143 -6.754 48.944 1.00 6.09 ? 154 ILE E C 1 ATOM 7995 O O . ILE E 1 154 ? 40.307 -6.889 50.149 1.00 7.02 ? 154 ILE E O 1 ATOM 7996 C CB . ILE E 1 154 ? 41.246 -4.617 48.303 1.00 8.44 ? 154 ILE E CB 1 ATOM 7997 C CG1 . ILE E 1 154 ? 41.078 -3.300 47.551 1.00 10.52 ? 154 ILE E CG1 1 ATOM 7998 C CG2 . ILE E 1 154 ? 42.345 -5.501 47.687 1.00 9.67 ? 154 ILE E CG2 1 ATOM 7999 C CD1 . ILE E 1 154 ? 42.308 -2.388 47.576 1.00 11.97 ? 154 ILE E CD1 1 ATOM 8000 N N . GLY E 1 155 ? 40.193 -7.781 48.096 1.00 5.87 ? 155 GLY E N 1 ATOM 8001 C CA . GLY E 1 155 ? 40.519 -9.117 48.531 1.00 6.84 ? 155 GLY E CA 1 ATOM 8002 C C . GLY E 1 155 ? 41.278 -9.918 47.506 1.00 5.60 ? 155 GLY E C 1 ATOM 8003 O O . GLY E 1 155 ? 41.532 -9.465 46.398 1.00 5.91 ? 155 GLY E O 1 ATOM 8004 N N . ASP E 1 156 ? 41.649 -11.126 47.910 1.00 5.06 ? 156 ASP E N 1 ATOM 8005 C CA . ASP E 1 156 ? 42.246 -12.142 47.041 1.00 5.41 ? 156 ASP E CA 1 ATOM 8006 C C . ASP E 1 156 ? 43.417 -11.576 46.241 1.00 4.50 ? 156 ASP E C 1 ATOM 8007 O O . ASP E 1 156 ? 43.493 -11.731 45.028 1.00 4.61 ? 156 ASP E O 1 ATOM 8008 C CB . ASP E 1 156 ? 41.193 -12.734 46.101 1.00 7.22 ? 156 ASP E CB 1 ATOM 8009 C CG . ASP E 1 156 ? 40.225 -13.663 46.795 1.00 11.13 ? 156 ASP E CG 1 ATOM 8010 O OD1 . ASP E 1 156 ? 40.483 -14.112 47.929 1.00 13.48 ? 156 ASP E OD1 1 ATOM 8011 O OD2 . ASP E 1 156 ? 39.202 -13.978 46.171 1.00 12.37 ? 156 ASP E OD2 1 ATOM 8012 N N . LEU E 1 157 ? 44.349 -10.949 46.952 1.00 4.19 ? 157 LEU E N 1 ATOM 8013 C CA . LEU E 1 157 ? 45.518 -10.333 46.334 1.00 4.08 ? 157 LEU E CA 1 ATOM 8014 C C . LEU E 1 157 ? 46.704 -11.280 46.309 1.00 3.98 ? 157 LEU E C 1 ATOM 8015 O O . LEU E 1 157 ? 47.047 -11.901 47.320 1.00 5.01 ? 157 LEU E O 1 ATOM 8016 C CB . LEU E 1 157 ? 45.862 -9.020 47.053 1.00 5.30 ? 157 LEU E CB 1 ATOM 8017 C CG . LEU E 1 157 ? 46.954 -8.197 46.373 1.00 6.95 ? 157 LEU E CG 1 ATOM 8018 C CD1 . LEU E 1 157 ? 46.714 -6.727 46.615 1.00 9.06 ? 157 LEU E CD1 1 ATOM 8019 C CD2 . LEU E 1 157 ? 48.321 -8.605 46.845 1.00 7.76 ? 157 LEU E CD2 1 ATOM 8020 N N . TYR E 1 158 ? 47.321 -11.387 45.138 1.00 4.07 ? 158 TYR E N 1 ATOM 8021 C CA . TYR E 1 158 ? 48.483 -12.221 44.880 1.00 4.37 ? 158 TYR E CA 1 ATOM 8022 C C . TYR E 1 158 ? 49.448 -11.477 43.998 1.00 4.27 ? 158 TYR E C 1 ATOM 8023 O O . TYR E 1 158 ? 49.028 -10.753 43.093 1.00 4.66 ? 158 TYR E O 1 ATOM 8024 C CB . TYR E 1 158 ? 48.091 -13.509 44.144 1.00 4.49 ? 158 TYR E CB 1 ATOM 8025 C CG . TYR E 1 158 ? 47.132 -14.356 44.932 1.00 5.14 ? 158 TYR E CG 1 ATOM 8026 C CD1 . TYR E 1 158 ? 47.587 -15.303 45.863 1.00 5.70 ? 158 TYR E CD1 1 ATOM 8027 C CD2 . TYR E 1 158 ? 45.767 -14.172 44.806 1.00 5.45 ? 158 TYR E CD2 1 ATOM 8028 C CE1 . TYR E 1 158 ? 46.696 -16.042 46.601 1.00 6.98 ? 158 TYR E CE1 1 ATOM 8029 C CE2 . TYR E 1 158 ? 44.865 -14.904 45.556 1.00 5.63 ? 158 TYR E CE2 1 ATOM 8030 C CZ . TYR E 1 158 ? 45.343 -15.832 46.447 1.00 6.40 ? 158 TYR E CZ 1 ATOM 8031 O OH . TYR E 1 158 ? 44.447 -16.563 47.180 1.00 8.45 ? 158 TYR E OH 1 ATOM 8032 N N . MET E 1 159 ? 50.739 -11.653 44.249 1.00 4.94 ? 159 MET E N 1 ATOM 8033 C CA . MET E 1 159 ? 51.764 -11.129 43.375 1.00 4.50 ? 159 MET E CA 1 ATOM 8034 C C . MET E 1 159 ? 52.837 -12.181 43.177 1.00 4.32 ? 159 MET E C 1 ATOM 8035 O O . MET E 1 159 ? 53.353 -12.734 44.140 1.00 5.31 ? 159 MET E O 1 ATOM 8036 C CB . MET E 1 159 ? 52.353 -9.850 43.932 1.00 5.29 ? 159 MET E CB 1 ATOM 8037 C CG . MET E 1 159 ? 53.204 -9.078 42.915 1.00 6.15 ? 159 MET E CG 1 ATOM 8038 S SD . MET E 1 159 ? 53.809 -7.529 43.643 1.00 9.60 ? 159 MET E SD 1 ATOM 8039 C CE . MET E 1 159 ? 54.899 -6.978 42.363 1.00 9.85 ? 159 MET E CE 1 ATOM 8040 N N . TRP E 1 160 ? 53.157 -12.429 41.915 1.00 5.06 ? 160 TRP E N 1 ATOM 8041 C CA . TRP E 1 160 ? 54.138 -13.429 41.514 1.00 5.21 ? 160 TRP E CA 1 ATOM 8042 C C . TRP E 1 160 ? 55.301 -12.756 40.784 1.00 5.35 ? 160 TRP E C 1 ATOM 8043 O O . TRP E 1 160 ? 55.114 -11.760 40.078 1.00 6.35 ? 160 TRP E O 1 ATOM 8044 C CB . TRP E 1 160 ? 53.520 -14.393 40.503 1.00 5.14 ? 160 TRP E CB 1 ATOM 8045 C CG . TRP E 1 160 ? 52.335 -15.214 40.936 1.00 5.90 ? 160 TRP E CG 1 ATOM 8046 C CD1 . TRP E 1 160 ? 52.371 -16.487 41.390 1.00 5.75 ? 160 TRP E CD1 1 ATOM 8047 C CD2 . TRP E 1 160 ? 50.941 -14.842 40.905 1.00 5.67 ? 160 TRP E CD2 1 ATOM 8048 N NE1 . TRP E 1 160 ? 51.102 -16.943 41.651 1.00 6.44 ? 160 TRP E NE1 1 ATOM 8049 C CE2 . TRP E 1 160 ? 50.205 -15.954 41.361 1.00 6.21 ? 160 TRP E CE2 1 ATOM 8050 C CE3 . TRP E 1 160 ? 50.247 -13.689 40.542 1.00 5.68 ? 160 TRP E CE3 1 ATOM 8051 C CZ2 . TRP E 1 160 ? 48.822 -15.940 41.470 1.00 5.85 ? 160 TRP E CZ2 1 ATOM 8052 C CZ3 . TRP E 1 160 ? 48.875 -13.679 40.643 1.00 6.06 ? 160 TRP E CZ3 1 ATOM 8053 C CH2 . TRP E 1 160 ? 48.171 -14.806 41.077 1.00 6.28 ? 160 TRP E CH2 1 ATOM 8054 N N . ASP E 1 161 ? 56.492 -13.338 40.874 1.00 6.51 ? 161 ASP E N 1 ATOM 8055 C CA . ASP E 1 161 ? 57.646 -12.817 40.118 1.00 8.14 ? 161 ASP E CA 1 ATOM 8056 C C . ASP E 1 161 ? 57.785 -13.401 38.714 1.00 9.14 ? 161 ASP E C 1 ATOM 8057 O O . ASP E 1 161 ? 58.878 -13.548 38.202 1.00 10.79 ? 161 ASP E O 1 ATOM 8058 C CB . ASP E 1 161 ? 58.961 -12.990 40.882 1.00 10.84 ? 161 ASP E CB 1 ATOM 8059 C CG . ASP E 1 161 ? 59.418 -14.439 40.955 1.00 14.52 ? 161 ASP E CG 1 ATOM 8060 O OD1 . ASP E 1 161 ? 58.637 -15.354 40.610 1.00 15.17 ? 161 ASP E OD1 1 ATOM 8061 O OD2 . ASP E 1 161 ? 60.583 -14.663 41.360 1.00 18.29 ? 161 ASP E OD2 1 ATOM 8062 N N . SER E 1 162 ? 56.666 -13.704 38.097 1.00 7.90 ? 162 SER E N 1 ATOM 8063 C CA . SER E 1 162 ? 56.630 -14.244 36.751 1.00 8.16 ? 162 SER E CA 1 ATOM 8064 C C . SER E 1 162 ? 55.420 -13.673 36.034 1.00 6.90 ? 162 SER E C 1 ATOM 8065 O O . SER E 1 162 ? 54.563 -13.058 36.671 1.00 7.34 ? 162 SER E O 1 ATOM 8066 C CB . SER E 1 162 ? 56.549 -15.768 36.809 1.00 10.39 ? 162 SER E CB 1 ATOM 8067 O OG . SER E 1 162 ? 55.343 -16.172 37.423 1.00 12.98 ? 162 SER E OG 1 ATOM 8068 N N . VAL E 1 163 ? 55.373 -13.849 34.717 1.00 7.08 ? 163 VAL E N 1 ATOM 8069 C CA . VAL E 1 163 ? 54.229 -13.476 33.897 1.00 7.25 ? 163 VAL E CA 1 ATOM 8070 C C . VAL E 1 163 ? 53.308 -14.668 33.776 1.00 8.34 ? 163 VAL E C 1 ATOM 8071 O O . VAL E 1 163 ? 53.656 -15.669 33.154 1.00 10.54 ? 163 VAL E O 1 ATOM 8072 C CB . VAL E 1 163 ? 54.673 -13.028 32.501 1.00 8.20 ? 163 VAL E CB 1 ATOM 8073 C CG1 . VAL E 1 163 ? 53.462 -12.699 31.658 1.00 9.85 ? 163 VAL E CG1 1 ATOM 8074 C CG2 . VAL E 1 163 ? 55.580 -11.811 32.626 1.00 9.73 ? 163 VAL E CG2 1 ATOM 8075 N N . LEU E 1 164 ? 52.141 -14.591 34.393 1.00 7.55 ? 164 LEU E N 1 ATOM 8076 C CA . LEU E 1 164 ? 51.215 -15.708 34.326 1.00 8.68 ? 164 LEU E CA 1 ATOM 8077 C C . LEU E 1 164 ? 50.654 -15.887 32.930 1.00 8.67 ? 164 LEU E C 1 ATOM 8078 O O . LEU E 1 164 ? 50.210 -14.932 32.314 1.00 9.50 ? 164 LEU E O 1 ATOM 8079 C CB . LEU E 1 164 ? 50.051 -15.537 35.310 1.00 9.95 ? 164 LEU E CB 1 ATOM 8080 C CG . LEU E 1 164 ? 50.338 -15.565 36.811 1.00 11.91 ? 164 LEU E CG 1 ATOM 8081 C CD1 . LEU E 1 164 ? 49.023 -15.557 37.591 1.00 12.64 ? 164 LEU E CD1 1 ATOM 8082 C CD2 . LEU E 1 164 ? 51.172 -16.758 37.185 1.00 13.39 ? 164 LEU E CD2 1 ATOM 8083 N N . PRO E 1 165 ? 50.608 -17.136 32.448 1.00 8.92 ? 165 PRO E N 1 ATOM 8084 C CA . PRO E 1 165 ? 49.921 -17.438 31.193 1.00 9.29 ? 165 PRO E CA 1 ATOM 8085 C C . PRO E 1 165 ? 48.399 -17.352 31.387 1.00 8.50 ? 165 PRO E C 1 ATOM 8086 O O . PRO E 1 165 ? 47.903 -17.372 32.523 1.00 7.79 ? 165 PRO E O 1 ATOM 8087 C CB . PRO E 1 165 ? 50.371 -18.870 30.896 1.00 11.18 ? 165 PRO E CB 1 ATOM 8088 C CG . PRO E 1 165 ? 50.578 -19.474 32.241 1.00 12.04 ? 165 PRO E CG 1 ATOM 8089 C CD . PRO E 1 165 ? 51.155 -18.354 33.082 1.00 10.24 ? 165 PRO E CD 1 ATOM 8090 N N . PRO E 1 166 ? 47.647 -17.231 30.291 1.00 8.89 ? 166 PRO E N 1 ATOM 8091 C CA . PRO E 1 166 ? 46.185 -17.102 30.396 1.00 9.27 ? 166 PRO E CA 1 ATOM 8092 C C . PRO E 1 166 ? 45.507 -18.142 31.289 1.00 8.90 ? 166 PRO E C 1 ATOM 8093 O O . PRO E 1 166 ? 44.623 -17.774 32.066 1.00 8.62 ? 166 PRO E O 1 ATOM 8094 C CB . PRO E 1 166 ? 45.716 -17.192 28.940 1.00 9.76 ? 166 PRO E CB 1 ATOM 8095 C CG . PRO E 1 166 ? 46.890 -16.613 28.175 1.00 9.86 ? 166 PRO E CG 1 ATOM 8096 C CD . PRO E 1 166 ? 48.115 -17.133 28.898 1.00 9.65 ? 166 PRO E CD 1 ATOM 8097 N N . GLU E 1 167 ? 45.918 -19.404 31.222 1.00 10.14 ? 167 GLU E N 1 ATOM 8098 C CA . GLU E 1 167 ? 45.269 -20.409 32.045 1.00 11.23 ? 167 GLU E CA 1 ATOM 8099 C C . GLU E 1 167 ? 45.395 -20.110 33.542 1.00 9.27 ? 167 GLU E C 1 ATOM 8100 O O . GLU E 1 167 ? 44.441 -20.326 34.305 1.00 9.51 ? 167 GLU E O 1 ATOM 8101 C CB . GLU E 1 167 ? 45.759 -21.815 31.697 1.00 14.73 ? 167 GLU E CB 1 ATOM 8102 C CG . GLU E 1 167 ? 47.244 -22.032 31.860 1.00 18.73 ? 167 GLU E CG 1 ATOM 8103 C CD . GLU E 1 167 ? 48.056 -21.801 30.571 1.00 21.78 ? 167 GLU E CD 1 ATOM 8104 O OE1 . GLU E 1 167 ? 47.679 -20.937 29.706 1.00 21.36 ? 167 GLU E OE1 1 ATOM 8105 O OE2 . GLU E 1 167 ? 49.099 -22.502 30.436 1.00 23.97 ? 167 GLU E OE2 1 ATOM 8106 N N . ASN E 1 168 ? 46.529 -19.549 33.961 1.00 8.59 ? 168 ASN E N 1 ATOM 8107 C CA . ASN E 1 168 ? 46.731 -19.254 35.374 1.00 9.08 ? 168 ASN E CA 1 ATOM 8108 C C . ASN E 1 168 ? 45.990 -17.965 35.773 1.00 7.74 ? 168 ASN E C 1 ATOM 8109 O O . ASN E 1 168 ? 45.599 -17.819 36.906 1.00 8.83 ? 168 ASN E O 1 ATOM 8110 C CB . ASN E 1 168 ? 48.221 -19.080 35.715 1.00 10.86 ? 168 ASN E CB 1 ATOM 8111 C CG . ASN E 1 168 ? 49.071 -20.338 35.543 1.00 14.21 ? 168 ASN E CG 1 ATOM 8112 O OD1 . ASN E 1 168 ? 50.293 -20.219 35.378 1.00 15.65 ? 168 ASN E OD1 1 ATOM 8113 N ND2 . ASN E 1 168 ? 48.469 -21.522 35.618 1.00 14.86 ? 168 ASN E ND2 1 ATOM 8114 N N . ILE E 1 169 ? 45.816 -17.019 34.845 1.00 7.63 ? 169 ILE E N 1 ATOM 8115 C CA . ILE E 1 169 ? 44.986 -15.827 35.088 1.00 7.80 ? 169 ILE E CA 1 ATOM 8116 C C . ILE E 1 169 ? 43.546 -16.254 35.303 1.00 7.99 ? 169 ILE E C 1 ATOM 8117 O O . ILE E 1 169 ? 42.885 -15.809 36.239 1.00 7.78 ? 169 ILE E O 1 ATOM 8118 C CB . ILE E 1 169 ? 45.087 -14.797 33.910 1.00 8.41 ? 169 ILE E CB 1 ATOM 8119 C CG1 . ILE E 1 169 ? 46.533 -14.312 33.821 1.00 11.73 ? 169 ILE E CG1 1 ATOM 8120 C CG2 . ILE E 1 169 ? 44.117 -13.630 34.089 1.00 8.36 ? 169 ILE E CG2 1 ATOM 8121 C CD1 . ILE E 1 169 ? 46.818 -13.519 32.646 1.00 14.75 ? 169 ILE E CD1 1 ATOM 8122 N N . LEU E 1 170 ? 43.053 -17.136 34.439 1.00 7.86 ? 170 LEU E N 1 ATOM 8123 C CA . LEU E 1 170 ? 41.679 -17.586 34.583 1.00 9.89 ? 170 LEU E CA 1 ATOM 8124 C C . LEU E 1 170 ? 41.485 -18.347 35.887 1.00 9.05 ? 170 LEU E C 1 ATOM 8125 O O . LEU E 1 170 ? 40.472 -18.181 36.536 1.00 9.24 ? 170 LEU E O 1 ATOM 8126 C CB . LEU E 1 170 ? 41.220 -18.394 33.370 1.00 12.99 ? 170 LEU E CB 1 ATOM 8127 C CG . LEU E 1 170 ? 40.992 -17.568 32.092 1.00 18.49 ? 170 LEU E CG 1 ATOM 8128 C CD1 . LEU E 1 170 ? 40.485 -18.479 30.987 1.00 20.08 ? 170 LEU E CD1 1 ATOM 8129 C CD2 . LEU E 1 170 ? 40.036 -16.383 32.260 1.00 21.08 ? 170 LEU E CD2 1 ATOM 8130 N N A SER E 1 171 ? 42.476 -19.135 36.293 0.12 9.47 ? 171 SER E N 1 ATOM 8131 N N B SER E 1 171 ? 42.458 -19.166 36.272 0.88 8.86 ? 171 SER E N 1 ATOM 8132 C CA A SER E 1 171 ? 42.365 -19.878 37.543 0.12 9.84 ? 171 SER E CA 1 ATOM 8133 C CA B SER E 1 171 ? 42.407 -19.875 37.544 0.88 9.75 ? 171 SER E CA 1 ATOM 8134 C C A SER E 1 171 ? 42.329 -18.942 38.757 0.12 9.46 ? 171 SER E C 1 ATOM 8135 C C B SER E 1 171 ? 42.282 -18.909 38.717 0.88 9.14 ? 171 SER E C 1 ATOM 8136 O O A SER E 1 171 ? 41.642 -19.229 39.733 0.12 9.81 ? 171 SER E O 1 ATOM 8137 O O B SER E 1 171 ? 41.482 -19.117 39.611 0.88 8.98 ? 171 SER E O 1 ATOM 8138 C CB A SER E 1 171 ? 43.482 -20.922 37.676 0.12 10.40 ? 171 SER E CB 1 ATOM 8139 C CB B SER E 1 171 ? 43.666 -20.718 37.720 0.88 11.36 ? 171 SER E CB 1 ATOM 8140 O OG A SER E 1 171 ? 44.749 -20.338 37.917 0.12 10.75 ? 171 SER E OG 1 ATOM 8141 O OG B SER E 1 171 ? 43.661 -21.834 36.857 0.88 14.11 ? 171 SER E OG 1 ATOM 8142 N N . ALA E 1 172 ? 43.042 -17.818 38.697 1.00 8.55 ? 172 ALA E N 1 ATOM 8143 C CA . ALA E 1 172 ? 42.954 -16.823 39.772 1.00 8.33 ? 172 ALA E CA 1 ATOM 8144 C C . ALA E 1 172 ? 41.572 -16.183 39.782 1.00 7.67 ? 172 ALA E C 1 ATOM 8145 O O . ALA E 1 172 ? 40.950 -16.002 40.824 1.00 8.65 ? 172 ALA E O 1 ATOM 8146 C CB . ALA E 1 172 ? 44.007 -15.754 39.615 1.00 9.24 ? 172 ALA E CB 1 ATOM 8147 N N . TYR E 1 173 ? 41.066 -15.839 38.605 1.00 7.53 ? 173 TYR E N 1 ATOM 8148 C CA . TYR E 1 173 ? 39.733 -15.245 38.492 1.00 8.45 ? 173 TYR E CA 1 ATOM 8149 C C . TYR E 1 173 ? 38.636 -16.172 39.035 1.00 9.29 ? 173 TYR E C 1 ATOM 8150 O O . TYR E 1 173 ? 37.761 -15.724 39.780 1.00 9.28 ? 173 TYR E O 1 ATOM 8151 C CB . TYR E 1 173 ? 39.467 -14.901 37.021 1.00 8.40 ? 173 TYR E CB 1 ATOM 8152 C CG . TYR E 1 173 ? 38.069 -14.407 36.722 1.00 9.59 ? 173 TYR E CG 1 ATOM 8153 C CD1 . TYR E 1 173 ? 37.496 -13.392 37.466 1.00 9.86 ? 173 TYR E CD1 1 ATOM 8154 C CD2 . TYR E 1 173 ? 37.326 -14.962 35.693 1.00 11.59 ? 173 TYR E CD2 1 ATOM 8155 C CE1 . TYR E 1 173 ? 36.213 -12.936 37.201 1.00 10.15 ? 173 TYR E CE1 1 ATOM 8156 C CE2 . TYR E 1 173 ? 36.048 -14.502 35.411 1.00 12.75 ? 173 TYR E CE2 1 ATOM 8157 C CZ . TYR E 1 173 ? 35.494 -13.501 36.180 1.00 12.81 ? 173 TYR E CZ 1 ATOM 8158 O OH . TYR E 1 173 ? 34.224 -13.036 35.903 1.00 16.74 ? 173 TYR E OH 1 ATOM 8159 N N . GLN E 1 174 ? 38.682 -17.449 38.661 1.00 11.76 ? 174 GLN E N 1 ATOM 8160 C CA . GLN E 1 174 ? 37.768 -18.473 39.196 1.00 17.22 ? 174 GLN E CA 1 ATOM 8161 C C . GLN E 1 174 ? 37.861 -18.745 40.700 1.00 19.33 ? 174 GLN E C 1 ATOM 8162 O O . GLN E 1 174 ? 36.923 -19.304 41.262 1.00 22.79 ? 174 GLN E O 1 ATOM 8163 C CB . GLN E 1 174 ? 38.054 -19.841 38.591 1.00 22.36 ? 174 GLN E CB 1 ATOM 8164 C CG . GLN E 1 174 ? 38.209 -19.933 37.118 1.00 27.30 ? 174 GLN E CG 1 ATOM 8165 C CD . GLN E 1 174 ? 37.045 -19.369 36.378 1.00 30.48 ? 174 GLN E CD 1 ATOM 8166 O OE1 . GLN E 1 174 ? 36.375 -18.457 36.866 1.00 31.49 ? 174 GLN E OE1 1 ATOM 8167 N NE2 . GLN E 1 174 ? 36.773 -19.922 35.187 1.00 31.94 ? 174 GLN E NE2 1 ATOM 8168 N N . GLY E 1 175 ? 38.985 -18.431 41.343 1.00 18.56 ? 175 GLY E N 1 ATOM 8169 C CA . GLY E 1 175 ? 39.156 -18.790 42.740 1.00 18.77 ? 175 GLY E CA 1 ATOM 8170 C C . GLY E 1 175 ? 40.115 -19.938 43.016 1.00 17.71 ? 175 GLY E C 1 ATOM 8171 O O . GLY E 1 175 ? 40.131 -20.465 44.145 1.00 17.10 ? 175 GLY E O 1 ATOM 8172 N N . THR E 1 176 ? 40.905 -20.328 42.018 1.00 16.66 ? 176 THR E N 1 ATOM 8173 C CA . THR E 1 176 ? 41.994 -21.338 42.198 1.00 15.82 ? 176 THR E CA 1 ATOM 8174 C C . THR E 1 176 ? 43.404 -20.817 41.803 1.00 11.72 ? 176 THR E C 1 ATOM 8175 O O . THR E 1 176 ? 44.101 -21.341 40.914 1.00 11.75 ? 176 THR E O 1 ATOM 8176 C CB . THR E 1 176 ? 41.657 -22.579 41.430 1.00 19.41 ? 176 THR E CB 1 ATOM 8177 O OG1 . THR E 1 176 ? 40.377 -23.056 41.870 1.00 22.01 ? 176 THR E OG1 1 ATOM 8178 C CG2 . THR E 1 176 ? 42.694 -23.659 41.708 1.00 19.76 ? 176 THR E CG2 1 ATOM 8179 N N . PRO E 1 177 ? 43.831 -19.747 42.459 1.00 8.34 ? 177 PRO E N 1 ATOM 8180 C CA . PRO E 1 177 ? 45.097 -19.120 42.079 1.00 7.59 ? 177 PRO E CA 1 ATOM 8181 C C . PRO E 1 177 ? 46.293 -20.010 42.393 1.00 7.10 ? 177 PRO E C 1 ATOM 8182 O O . PRO E 1 177 ? 46.295 -20.751 43.385 1.00 8.21 ? 177 PRO E O 1 ATOM 8183 C CB . PRO E 1 177 ? 45.144 -17.873 42.952 1.00 8.62 ? 177 PRO E CB 1 ATOM 8184 C CG . PRO E 1 177 ? 44.258 -18.189 44.127 1.00 9.92 ? 177 PRO E CG 1 ATOM 8185 C CD . PRO E 1 177 ? 43.161 -19.050 43.573 1.00 9.17 ? 177 PRO E CD 1 ATOM 8186 N N . LEU E 1 178 ? 47.332 -19.909 41.574 1.00 7.99 ? 178 LEU E N 1 ATOM 8187 C CA . LEU E 1 178 ? 48.600 -20.547 41.909 1.00 9.31 ? 178 LEU E CA 1 ATOM 8188 C C . LEU E 1 178 ? 49.195 -19.858 43.122 1.00 9.43 ? 178 LEU E C 1 ATOM 8189 O O . LEU E 1 178 ? 49.127 -18.650 43.242 1.00 9.64 ? 178 LEU E O 1 ATOM 8190 C CB . LEU E 1 178 ? 49.601 -20.418 40.764 1.00 12.06 ? 178 LEU E CB 1 ATOM 8191 C CG . LEU E 1 178 ? 49.402 -21.270 39.524 1.00 16.12 ? 178 LEU E CG 1 ATOM 8192 C CD1 . LEU E 1 178 ? 50.493 -20.886 38.527 1.00 17.78 ? 178 LEU E CD1 1 ATOM 8193 C CD2 . LEU E 1 178 ? 49.451 -22.763 39.851 1.00 17.50 ? 178 LEU E CD2 1 ATOM 8194 N N . PRO E 1 179 ? 49.778 -20.622 44.038 1.00 9.19 ? 179 PRO E N 1 ATOM 8195 C CA . PRO E 1 179 ? 50.469 -19.963 45.147 1.00 8.98 ? 179 PRO E CA 1 ATOM 8196 C C . PRO E 1 179 ? 51.478 -18.938 44.629 1.00 7.81 ? 179 PRO E C 1 ATOM 8197 O O . PRO E 1 179 ? 52.141 -19.169 43.607 1.00 8.14 ? 179 PRO E O 1 ATOM 8198 C CB . PRO E 1 179 ? 51.166 -21.113 45.845 1.00 11.70 ? 179 PRO E CB 1 ATOM 8199 C CG . PRO E 1 179 ? 50.294 -22.298 45.549 1.00 11.86 ? 179 PRO E CG 1 ATOM 8200 C CD . PRO E 1 179 ? 49.786 -22.088 44.155 1.00 10.55 ? 179 PRO E CD 1 ATOM 8201 N N . ALA E 1 180 ? 51.603 -17.835 45.343 1.00 8.21 ? 180 ALA E N 1 ATOM 8202 C CA . ALA E 1 180 ? 52.362 -16.687 44.876 1.00 7.51 ? 180 ALA E CA 1 ATOM 8203 C C . ALA E 1 180 ? 53.523 -16.375 45.803 1.00 8.97 ? 180 ALA E C 1 ATOM 8204 O O . ALA E 1 180 ? 53.398 -16.477 47.021 1.00 12.01 ? 180 ALA E O 1 ATOM 8205 C CB . ALA E 1 180 ? 51.444 -15.501 44.777 1.00 7.47 ? 180 ALA E CB 1 ATOM 8206 N N . ASN E 1 181 ? 54.641 -15.967 45.214 1.00 8.63 ? 181 ASN E N 1 ATOM 8207 C CA . ASN E 1 181 ? 55.887 -15.831 45.952 1.00 9.27 ? 181 ASN E CA 1 ATOM 8208 C C . ASN E 1 181 ? 56.285 -14.419 46.371 1.00 8.96 ? 181 ASN E C 1 ATOM 8209 O O . ASN E 1 181 ? 57.225 -14.274 47.145 1.00 12.40 ? 181 ASN E O 1 ATOM 8210 C CB . ASN E 1 181 ? 57.037 -16.530 45.209 1.00 9.99 ? 181 ASN E CB 1 ATOM 8211 C CG . ASN E 1 181 ? 57.254 -16.006 43.804 1.00 11.13 ? 181 ASN E CG 1 ATOM 8212 O OD1 . ASN E 1 181 ? 56.547 -15.124 43.306 1.00 10.33 ? 181 ASN E OD1 1 ATOM 8213 N ND2 . ASN E 1 181 ? 58.253 -16.553 43.156 1.00 13.11 ? 181 ASN E ND2 1 ATOM 8214 N N . ILE E 1 182 ? 55.590 -13.379 45.919 1.00 7.45 ? 182 ILE E N 1 ATOM 8215 C CA . ILE E 1 182 ? 55.880 -12.025 46.416 1.00 7.87 ? 182 ILE E CA 1 ATOM 8216 C C . ILE E 1 182 ? 54.849 -11.609 47.473 1.00 7.29 ? 182 ILE E C 1 ATOM 8217 O O . ILE E 1 182 ? 55.219 -11.193 48.571 1.00 8.29 ? 182 ILE E O 1 ATOM 8218 C CB . ILE E 1 182 ? 55.941 -10.990 45.292 1.00 8.95 ? 182 ILE E CB 1 ATOM 8219 C CG1 . ILE E 1 182 ? 56.989 -11.409 44.253 1.00 9.88 ? 182 ILE E CG1 1 ATOM 8220 C CG2 . ILE E 1 182 ? 56.274 -9.593 45.850 1.00 10.45 ? 182 ILE E CG2 1 ATOM 8221 C CD1 . ILE E 1 182 ? 57.022 -10.519 43.049 1.00 10.46 ? 182 ILE E CD1 1 ATOM 8222 N N . LEU E 1 183 ? 53.562 -11.729 47.141 1.00 6.28 ? 183 LEU E N 1 ATOM 8223 C CA . LEU E 1 183 ? 52.458 -11.510 48.089 1.00 5.03 ? 183 LEU E CA 1 ATOM 8224 C C . LEU E 1 183 ? 51.433 -12.609 47.882 1.00 5.06 ? 183 LEU E C 1 ATOM 8225 O O . LEU E 1 183 ? 51.129 -12.972 46.742 1.00 5.45 ? 183 LEU E O 1 ATOM 8226 C CB . LEU E 1 183 ? 51.791 -10.136 47.870 1.00 6.26 ? 183 LEU E CB 1 ATOM 8227 C CG . LEU E 1 183 ? 52.679 -8.901 48.037 1.00 7.00 ? 183 LEU E CG 1 ATOM 8228 C CD1 . LEU E 1 183 ? 51.978 -7.663 47.503 1.00 8.39 ? 183 LEU E CD1 1 ATOM 8229 C CD2 . LEU E 1 183 ? 53.085 -8.713 49.500 1.00 8.26 ? 183 LEU E CD2 1 ATOM 8230 N N . ASP E 1 184 ? 50.885 -13.151 48.968 1.00 5.97 ? 184 ASP E N 1 ATOM 8231 C CA . ASP E 1 184 ? 49.928 -14.234 48.853 1.00 6.54 ? 184 ASP E CA 1 ATOM 8232 C C . ASP E 1 184 ? 48.877 -14.078 49.949 1.00 5.20 ? 184 ASP E C 1 ATOM 8233 O O . ASP E 1 184 ? 49.198 -13.972 51.130 1.00 6.29 ? 184 ASP E O 1 ATOM 8234 C CB . ASP E 1 184 ? 50.657 -15.573 48.974 1.00 9.03 ? 184 ASP E CB 1 ATOM 8235 C CG . ASP E 1 184 ? 49.749 -16.779 48.732 1.00 10.63 ? 184 ASP E CG 1 ATOM 8236 O OD1 . ASP E 1 184 ? 48.806 -16.976 49.507 1.00 12.30 ? 184 ASP E OD1 1 ATOM 8237 O OD2 . ASP E 1 184 ? 49.988 -17.563 47.785 1.00 12.24 ? 184 ASP E OD2 1 ATOM 8238 N N . TRP E 1 185 ? 47.618 -14.057 49.548 1.00 5.49 ? 185 TRP E N 1 ATOM 8239 C CA . TRP E 1 185 ? 46.493 -13.817 50.440 1.00 5.65 ? 185 TRP E CA 1 ATOM 8240 C C . TRP E 1 185 ? 46.360 -14.854 51.558 1.00 5.58 ? 185 TRP E C 1 ATOM 8241 O O . TRP E 1 185 ? 45.760 -14.543 52.580 1.00 6.80 ? 185 TRP E O 1 ATOM 8242 C CB . TRP E 1 185 ? 45.211 -13.765 49.603 1.00 5.13 ? 185 TRP E CB 1 ATOM 8243 C CG . TRP E 1 185 ? 44.072 -12.988 50.198 1.00 5.61 ? 185 TRP E CG 1 ATOM 8244 C CD1 . TRP E 1 185 ? 42.849 -13.478 50.566 1.00 6.42 ? 185 TRP E CD1 1 ATOM 8245 C CD2 . TRP E 1 185 ? 44.044 -11.589 50.483 1.00 5.95 ? 185 TRP E CD2 1 ATOM 8246 N NE1 . TRP E 1 185 ? 42.052 -12.458 51.029 1.00 7.65 ? 185 TRP E NE1 1 ATOM 8247 C CE2 . TRP E 1 185 ? 42.773 -11.296 51.022 1.00 6.64 ? 185 TRP E CE2 1 ATOM 8248 C CE3 . TRP E 1 185 ? 44.966 -10.541 50.327 1.00 5.55 ? 185 TRP E CE3 1 ATOM 8249 C CZ2 . TRP E 1 185 ? 42.401 -10.009 51.403 1.00 7.05 ? 185 TRP E CZ2 1 ATOM 8250 C CZ3 . TRP E 1 185 ? 44.573 -9.257 50.698 1.00 6.81 ? 185 TRP E CZ3 1 ATOM 8251 C CH2 . TRP E 1 185 ? 43.319 -9.012 51.241 1.00 6.81 ? 185 TRP E CH2 1 ATOM 8252 N N . GLN E 1 186 ? 46.865 -16.064 51.338 1.00 5.99 ? 186 GLN E N 1 ATOM 8253 C CA . GLN E 1 186 ? 46.830 -17.119 52.349 1.00 6.19 ? 186 GLN E CA 1 ATOM 8254 C C . GLN E 1 186 ? 47.941 -16.994 53.381 1.00 7.03 ? 186 GLN E C 1 ATOM 8255 O O . GLN E 1 186 ? 47.924 -17.706 54.375 1.00 8.94 ? 186 GLN E O 1 ATOM 8256 C CB . GLN E 1 186 ? 46.892 -18.503 51.695 1.00 6.92 ? 186 GLN E CB 1 ATOM 8257 C CG . GLN E 1 186 ? 45.564 -19.033 51.224 1.00 7.09 ? 186 GLN E CG 1 ATOM 8258 C CD . GLN E 1 186 ? 44.987 -18.264 50.078 1.00 7.56 ? 186 GLN E CD 1 ATOM 8259 O OE1 . GLN E 1 186 ? 45.604 -18.110 49.014 1.00 8.48 ? 186 GLN E OE1 1 ATOM 8260 N NE2 . GLN E 1 186 ? 43.803 -17.754 50.289 1.00 8.27 ? 186 GLN E NE2 1 ATOM 8261 N N . ALA E 1 187 ? 48.895 -16.099 53.165 1.00 7.52 ? 187 ALA E N 1 ATOM 8262 C CA . ALA E 1 187 ? 50.017 -15.930 54.084 1.00 8.61 ? 187 ALA E CA 1 ATOM 8263 C C . ALA E 1 187 ? 50.535 -14.508 53.944 1.00 7.59 ? 187 ALA E C 1 ATOM 8264 O O . ALA E 1 187 ? 51.655 -14.268 53.495 1.00 9.07 ? 187 ALA E O 1 ATOM 8265 C CB . ALA E 1 187 ? 51.101 -16.941 53.804 1.00 10.37 ? 187 ALA E CB 1 ATOM 8266 N N . LEU E 1 188 ? 49.676 -13.556 54.274 1.00 7.14 ? 188 LEU E N 1 ATOM 8267 C CA . LEU E 1 188 ? 49.962 -12.150 54.039 1.00 7.53 ? 188 LEU E CA 1 ATOM 8268 C C . LEU E 1 188 ? 50.509 -11.495 55.303 1.00 7.17 ? 188 LEU E C 1 ATOM 8269 O O . LEU E 1 188 ? 49.939 -11.635 56.379 1.00 8.16 ? 188 LEU E O 1 ATOM 8270 C CB . LEU E 1 188 ? 48.695 -11.433 53.575 1.00 8.31 ? 188 LEU E CB 1 ATOM 8271 C CG . LEU E 1 188 ? 48.918 -10.056 52.941 1.00 8.47 ? 188 LEU E CG 1 ATOM 8272 C CD1 . LEU E 1 188 ? 49.536 -10.159 51.548 1.00 9.62 ? 188 LEU E CD1 1 ATOM 8273 C CD2 . LEU E 1 188 ? 47.620 -9.261 52.878 1.00 9.90 ? 188 LEU E CD2 1 ATOM 8274 N N . ASN E 1 189 ? 51.608 -10.776 55.152 1.00 7.82 ? 189 ASN E N 1 ATOM 8275 C CA . ASN E 1 189 ? 52.206 -10.001 56.225 1.00 8.90 ? 189 ASN E CA 1 ATOM 8276 C C . ASN E 1 189 ? 51.818 -8.541 56.018 1.00 9.19 ? 189 ASN E C 1 ATOM 8277 O O . ASN E 1 189 ? 52.283 -7.880 55.082 1.00 10.87 ? 189 ASN E O 1 ATOM 8278 C CB . ASN E 1 189 ? 53.720 -10.184 56.189 1.00 11.65 ? 189 ASN E CB 1 ATOM 8279 C CG . ASN E 1 189 ? 54.414 -9.617 57.398 1.00 16.10 ? 189 ASN E CG 1 ATOM 8280 O OD1 . ASN E 1 189 ? 53.775 -9.192 58.367 1.00 18.82 ? 189 ASN E OD1 1 ATOM 8281 N ND2 . ASN E 1 189 ? 55.744 -9.611 57.353 1.00 17.23 ? 189 ASN E ND2 1 ATOM 8282 N N . TYR E 1 190 ? 50.924 -8.046 56.858 1.00 9.12 ? 190 TYR E N 1 ATOM 8283 C CA . TYR E 1 190 ? 50.361 -6.731 56.636 1.00 9.95 ? 190 TYR E CA 1 ATOM 8284 C C . TYR E 1 190 ? 50.306 -5.963 57.935 1.00 10.06 ? 190 TYR E C 1 ATOM 8285 O O . TYR E 1 190 ? 50.368 -6.537 59.022 1.00 11.21 ? 190 TYR E O 1 ATOM 8286 C CB . TYR E 1 190 ? 48.956 -6.830 56.004 1.00 10.77 ? 190 TYR E CB 1 ATOM 8287 C CG . TYR E 1 190 ? 47.952 -7.449 56.941 1.00 11.19 ? 190 TYR E CG 1 ATOM 8288 C CD1 . TYR E 1 190 ? 47.255 -6.670 57.849 1.00 12.07 ? 190 TYR E CD1 1 ATOM 8289 C CD2 . TYR E 1 190 ? 47.707 -8.814 56.923 1.00 12.43 ? 190 TYR E CD2 1 ATOM 8290 C CE1 . TYR E 1 190 ? 46.366 -7.237 58.729 1.00 13.03 ? 190 TYR E CE1 1 ATOM 8291 C CE2 . TYR E 1 190 ? 46.828 -9.383 57.791 1.00 13.92 ? 190 TYR E CE2 1 ATOM 8292 C CZ . TYR E 1 190 ? 46.161 -8.601 58.695 1.00 14.64 ? 190 TYR E CZ 1 ATOM 8293 O OH . TYR E 1 190 ? 45.282 -9.203 59.562 1.00 18.12 ? 190 TYR E OH 1 ATOM 8294 N N . GLU E 1 191 ? 50.183 -4.648 57.806 1.00 9.21 ? 191 GLU E N 1 ATOM 8295 C CA . GLU E 1 191 ? 49.955 -3.750 58.939 1.00 10.45 ? 191 GLU E CA 1 ATOM 8296 C C . GLU E 1 191 ? 48.831 -2.775 58.609 1.00 9.06 ? 191 GLU E C 1 ATOM 8297 O O . GLU E 1 191 ? 48.934 -2.031 57.641 1.00 9.46 ? 191 GLU E O 1 ATOM 8298 C CB . GLU E 1 191 ? 51.214 -2.925 59.234 1.00 15.17 ? 191 GLU E CB 1 ATOM 8299 C CG . GLU E 1 191 ? 52.434 -3.745 59.542 1.00 20.44 ? 191 GLU E CG 1 ATOM 8300 C CD . GLU E 1 191 ? 53.721 -2.926 59.506 1.00 24.89 ? 191 GLU E CD 1 ATOM 8301 O OE1 . GLU E 1 191 ? 53.771 -1.892 58.799 1.00 26.25 ? 191 GLU E OE1 1 ATOM 8302 O OE2 . GLU E 1 191 ? 54.688 -3.321 60.194 1.00 26.91 ? 191 GLU E OE2 1 ATOM 8303 N N . ILE E 1 192 ? 47.761 -2.790 59.400 1.00 8.06 ? 192 ILE E N 1 ATOM 8304 C CA . ILE E 1 192 ? 46.679 -1.831 59.272 1.00 6.80 ? 192 ILE E CA 1 ATOM 8305 C C . ILE E 1 192 ? 47.045 -0.533 59.985 1.00 7.45 ? 192 ILE E C 1 ATOM 8306 O O . ILE E 1 192 ? 47.517 -0.536 61.133 1.00 8.81 ? 192 ILE E O 1 ATOM 8307 C CB . ILE E 1 192 ? 45.359 -2.405 59.835 1.00 7.53 ? 192 ILE E CB 1 ATOM 8308 C CG1 . ILE E 1 192 ? 44.799 -3.437 58.843 1.00 8.90 ? 192 ILE E CG1 1 ATOM 8309 C CG2 . ILE E 1 192 ? 44.362 -1.297 60.126 1.00 8.22 ? 192 ILE E CG2 1 ATOM 8310 C CD1 . ILE E 1 192 ? 43.604 -4.233 59.364 1.00 10.49 ? 192 ILE E CD1 1 ATOM 8311 N N . ARG E 1 193 ? 46.796 0.584 59.313 1.00 8.50 ? 193 ARG E N 1 ATOM 8312 C CA . ARG E 1 193 ? 46.964 1.899 59.906 1.00 9.17 ? 193 ARG E CA 1 ATOM 8313 C C . ARG E 1 193 ? 45.664 2.668 59.710 1.00 8.04 ? 193 ARG E C 1 ATOM 8314 O O . ARG E 1 193 ? 45.085 2.717 58.615 1.00 8.93 ? 193 ARG E O 1 ATOM 8315 C CB . ARG E 1 193 ? 48.130 2.648 59.247 1.00 12.74 ? 193 ARG E CB 1 ATOM 8316 C CG . ARG E 1 193 ? 49.476 1.956 59.432 1.00 16.35 ? 193 ARG E CG 1 ATOM 8317 C CD . ARG E 1 193 ? 49.924 2.046 60.882 1.00 20.52 ? 193 ARG E CD 1 ATOM 8318 N NE . ARG E 1 193 ? 51.180 1.341 61.143 1.00 23.76 ? 193 ARG E NE 1 ATOM 8319 C CZ . ARG E 1 193 ? 51.280 0.133 61.697 1.00 25.63 ? 193 ARG E CZ 1 ATOM 8320 N NH1 . ARG E 1 193 ? 50.196 -0.552 62.044 1.00 26.21 ? 193 ARG E NH1 1 ATOM 8321 N NH2 . ARG E 1 193 ? 52.477 -0.407 61.887 1.00 26.28 ? 193 ARG E NH2 1 ATOM 8322 N N . GLY E 1 194 ? 45.145 3.229 60.785 1.00 9.10 ? 194 GLY E N 1 ATOM 8323 C CA . GLY E 1 194 ? 43.900 3.949 60.697 1.00 8.16 ? 194 GLY E CA 1 ATOM 8324 C C . GLY E 1 194 ? 42.700 3.013 60.599 1.00 8.06 ? 194 GLY E C 1 ATOM 8325 O O . GLY E 1 194 ? 42.703 1.884 61.128 1.00 9.19 ? 194 GLY E O 1 ATOM 8326 N N . TYR E 1 195 ? 41.670 3.492 59.924 1.00 7.48 ? 195 TYR E N 1 ATOM 8327 C CA . TYR E 1 195 ? 40.374 2.806 59.913 1.00 7.15 ? 195 TYR E CA 1 ATOM 8328 C C . TYR E 1 195 ? 40.276 1.884 58.709 1.00 6.70 ? 195 TYR E C 1 ATOM 8329 O O . TYR E 1 195 ? 39.879 2.295 57.621 1.00 6.95 ? 195 TYR E O 1 ATOM 8330 C CB . TYR E 1 195 ? 39.265 3.854 59.861 1.00 7.22 ? 195 TYR E CB 1 ATOM 8331 C CG . TYR E 1 195 ? 37.846 3.368 60.035 1.00 6.28 ? 195 TYR E CG 1 ATOM 8332 C CD1 . TYR E 1 195 ? 37.537 2.245 60.801 1.00 7.26 ? 195 TYR E CD1 1 ATOM 8333 C CD2 . TYR E 1 195 ? 36.807 4.057 59.427 1.00 6.94 ? 195 TYR E CD2 1 ATOM 8334 C CE1 . TYR E 1 195 ? 36.210 1.847 60.964 1.00 6.91 ? 195 TYR E CE1 1 ATOM 8335 C CE2 . TYR E 1 195 ? 35.499 3.669 59.581 1.00 7.25 ? 195 TYR E CE2 1 ATOM 8336 C CZ . TYR E 1 195 ? 35.191 2.566 60.334 1.00 6.98 ? 195 TYR E CZ 1 ATOM 8337 O OH . TYR E 1 195 ? 33.855 2.204 60.489 1.00 7.58 ? 195 TYR E OH 1 ATOM 8338 N N . VAL E 1 196 ? 40.682 0.637 58.912 1.00 6.20 ? 196 VAL E N 1 ATOM 8339 C CA . VAL E 1 196 ? 40.553 -0.427 57.939 1.00 6.27 ? 196 VAL E CA 1 ATOM 8340 C C . VAL E 1 196 ? 40.047 -1.620 58.730 1.00 6.20 ? 196 VAL E C 1 ATOM 8341 O O . VAL E 1 196 ? 40.589 -1.934 59.778 1.00 7.46 ? 196 VAL E O 1 ATOM 8342 C CB . VAL E 1 196 ? 41.919 -0.793 57.261 1.00 6.75 ? 196 VAL E CB 1 ATOM 8343 C CG1 . VAL E 1 196 ? 41.680 -1.779 56.147 1.00 6.72 ? 196 VAL E CG1 1 ATOM 8344 C CG2 . VAL E 1 196 ? 42.625 0.449 56.705 1.00 7.75 ? 196 VAL E CG2 1 ATOM 8345 N N . ILE E 1 197 ? 39.009 -2.277 58.222 1.00 5.72 ? 197 ILE E N 1 ATOM 8346 C CA . ILE E 1 197 ? 38.335 -3.363 58.921 1.00 6.09 ? 197 ILE E CA 1 ATOM 8347 C C . ILE E 1 197 ? 38.396 -4.616 58.059 1.00 5.25 ? 197 ILE E C 1 ATOM 8348 O O . ILE E 1 197 ? 38.163 -4.557 56.853 1.00 7.24 ? 197 ILE E O 1 ATOM 8349 C CB . ILE E 1 197 ? 36.855 -3.018 59.192 1.00 6.20 ? 197 ILE E CB 1 ATOM 8350 C CG1 . ILE E 1 197 ? 36.712 -1.727 60.025 1.00 6.80 ? 197 ILE E CG1 1 ATOM 8351 C CG2 . ILE E 1 197 ? 36.144 -4.183 59.876 1.00 8.21 ? 197 ILE E CG2 1 ATOM 8352 C CD1 . ILE E 1 197 ? 37.303 -1.809 61.441 1.00 8.35 ? 197 ILE E CD1 1 ATOM 8353 N N . ILE E 1 198 ? 38.732 -5.758 58.638 1.00 5.86 ? 198 ILE E N 1 ATOM 8354 C CA . ILE E 1 198 ? 38.677 -7.029 57.929 1.00 5.17 ? 198 ILE E CA 1 ATOM 8355 C C . ILE E 1 198 ? 37.302 -7.671 58.095 1.00 5.19 ? 198 ILE E C 1 ATOM 8356 O O . ILE E 1 198 ? 36.786 -7.796 59.214 1.00 7.48 ? 198 ILE E O 1 ATOM 8357 C CB . ILE E 1 198 ? 39.786 -7.985 58.431 1.00 6.30 ? 198 ILE E CB 1 ATOM 8358 C CG1 . ILE E 1 198 ? 41.157 -7.383 58.111 1.00 8.63 ? 198 ILE E CG1 1 ATOM 8359 C CG2 . ILE E 1 198 ? 39.652 -9.358 57.763 1.00 7.22 ? 198 ILE E CG2 1 ATOM 8360 C CD1 . ILE E 1 198 ? 42.318 -8.068 58.789 1.00 10.12 ? 198 ILE E CD1 1 ATOM 8361 N N . LYS E 1 199 ? 36.659 -7.975 56.974 1.00 5.20 ? 199 LYS E N 1 ATOM 8362 C CA . LYS E 1 199 ? 35.323 -8.563 56.949 1.00 5.74 ? 199 LYS E CA 1 ATOM 8363 C C . LYS E 1 199 ? 35.278 -9.753 56.001 1.00 5.01 ? 199 LYS E C 1 ATOM 8364 O O . LYS E 1 199 ? 36.117 -9.883 55.104 1.00 5.98 ? 199 LYS E O 1 ATOM 8365 C CB . LYS E 1 199 ? 34.282 -7.531 56.507 1.00 7.53 ? 199 LYS E CB 1 ATOM 8366 C CG . LYS E 1 199 ? 33.926 -6.489 57.572 1.00 9.82 ? 199 LYS E CG 1 ATOM 8367 C CD . LYS E 1 199 ? 32.991 -7.117 58.616 1.00 12.95 ? 199 LYS E CD 1 ATOM 8368 C CE . LYS E 1 199 ? 32.630 -6.216 59.780 1.00 16.12 ? 199 LYS E CE 1 ATOM 8369 N NZ . LYS E 1 199 ? 32.003 -7.034 60.859 1.00 19.14 ? 199 LYS E NZ 1 ATOM 8370 N N . PRO E 1 200 ? 34.269 -10.622 56.155 1.00 6.05 ? 200 PRO E N 1 ATOM 8371 C CA . PRO E 1 200 ? 34.097 -11.649 55.122 1.00 6.45 ? 200 PRO E CA 1 ATOM 8372 C C . PRO E 1 200 ? 33.820 -11.044 53.756 1.00 6.29 ? 200 PRO E C 1 ATOM 8373 O O . PRO E 1 200 ? 33.195 -9.993 53.644 1.00 7.10 ? 200 PRO E O 1 ATOM 8374 C CB . PRO E 1 200 ? 32.867 -12.428 55.600 1.00 7.42 ? 200 PRO E CB 1 ATOM 8375 C CG . PRO E 1 200 ? 32.798 -12.153 57.054 1.00 8.21 ? 200 PRO E CG 1 ATOM 8376 C CD . PRO E 1 200 ? 33.285 -10.755 57.239 1.00 7.60 ? 200 PRO E CD 1 ATOM 8377 N N . LEU E 1 201 ? 34.301 -11.732 52.727 1.00 6.76 ? 201 LEU E N 1 ATOM 8378 C CA . LEU E 1 201 ? 33.964 -11.441 51.340 1.00 7.85 ? 201 LEU E CA 1 ATOM 8379 C C . LEU E 1 201 ? 32.565 -11.957 51.020 1.00 8.41 ? 201 LEU E C 1 ATOM 8380 O O . LEU E 1 201 ? 32.317 -13.147 51.079 1.00 11.81 ? 201 LEU E O 1 ATOM 8381 C CB . LEU E 1 201 ? 35.007 -12.120 50.448 1.00 9.00 ? 201 LEU E CB 1 ATOM 8382 C CG . LEU E 1 201 ? 34.702 -12.075 48.951 1.00 11.01 ? 201 LEU E CG 1 ATOM 8383 C CD1 . LEU E 1 201 ? 34.731 -10.671 48.421 1.00 10.13 ? 201 LEU E CD1 1 ATOM 8384 C CD2 . LEU E 1 201 ? 35.673 -12.963 48.197 1.00 12.97 ? 201 LEU E CD2 1 ATOM 8385 N N . VAL E 1 202 ? 31.638 -11.063 50.693 1.00 7.50 ? 202 VAL E N 1 ATOM 8386 C CA . VAL E 1 202 ? 30.254 -11.476 50.465 1.00 7.71 ? 202 VAL E CA 1 ATOM 8387 C C . VAL E 1 202 ? 29.789 -11.249 49.038 1.00 7.57 ? 202 VAL E C 1 ATOM 8388 O O . VAL E 1 202 ? 28.668 -11.622 48.677 1.00 8.75 ? 202 VAL E O 1 ATOM 8389 C CB . VAL E 1 202 ? 29.249 -10.777 51.446 1.00 8.51 ? 202 VAL E CB 1 ATOM 8390 C CG1 . VAL E 1 202 ? 29.668 -11.018 52.898 1.00 9.56 ? 202 VAL E CG1 1 ATOM 8391 C CG2 . VAL E 1 202 ? 29.128 -9.288 51.176 1.00 8.42 ? 202 VAL E CG2 1 ATOM 8392 N N . TRP E 1 203 ? 30.662 -10.651 48.234 1.00 8.23 ? 203 TRP E N 1 ATOM 8393 C CA . TRP E 1 203 ? 30.291 -10.242 46.883 1.00 11.06 ? 203 TRP E CA 1 ATOM 8394 C C . TRP E 1 203 ? 30.949 -11.046 45.789 1.00 17.33 ? 203 TRP E C 1 ATOM 8395 O O . TRP E 1 203 ? 30.682 -10.816 44.602 1.00 19.54 ? 203 TRP E O 1 ATOM 8396 C CB . TRP E 1 203 ? 30.568 -8.766 46.664 1.00 9.11 ? 203 TRP E CB 1 ATOM 8397 C CG . TRP E 1 203 ? 31.867 -8.235 47.219 1.00 7.58 ? 203 TRP E CG 1 ATOM 8398 C CD1 . TRP E 1 203 ? 32.048 -7.678 48.440 1.00 7.50 ? 203 TRP E CD1 1 ATOM 8399 C CD2 . TRP E 1 203 ? 33.141 -8.162 46.562 1.00 5.95 ? 203 TRP E CD2 1 ATOM 8400 N NE1 . TRP E 1 203 ? 33.319 -7.243 48.590 1.00 7.36 ? 203 TRP E NE1 1 ATOM 8401 C CE2 . TRP E 1 203 ? 34.031 -7.539 47.457 1.00 6.84 ? 203 TRP E CE2 1 ATOM 8402 C CE3 . TRP E 1 203 ? 33.614 -8.551 45.307 1.00 7.04 ? 203 TRP E CE3 1 ATOM 8403 C CZ2 . TRP E 1 203 ? 35.380 -7.304 47.145 1.00 6.62 ? 203 TRP E CZ2 1 ATOM 8404 C CZ3 . TRP E 1 203 ? 34.941 -8.322 44.997 1.00 8.03 ? 203 TRP E CZ3 1 ATOM 8405 C CH2 . TRP E 1 203 ? 35.810 -7.682 45.904 1.00 7.26 ? 203 TRP E CH2 1 ATOM 8406 N N . VAL E 1 204 ? 31.809 -11.968 46.182 1.00 22.74 ? 204 VAL E N 1 ATOM 8407 C CA . VAL E 1 204 ? 32.227 -13.045 45.289 1.00 30.26 ? 204 VAL E CA 1 ATOM 8408 C C . VAL E 1 204 ? 31.654 -14.333 45.861 1.00 34.87 ? 204 VAL E C 1 ATOM 8409 O O . VAL E 1 204 ? 30.659 -14.862 45.344 1.00 36.58 ? 204 VAL E O 1 ATOM 8410 C CB . VAL E 1 204 ? 33.759 -13.142 45.198 1.00 31.98 ? 204 VAL E CB 1 ATOM 8411 C CG1 . VAL E 1 204 ? 34.210 -14.371 44.402 1.00 32.92 ? 204 VAL E CG1 1 ATOM 8412 C CG2 . VAL E 1 204 ? 34.315 -11.896 44.578 1.00 32.29 ? 204 VAL E CG2 1 ATOM 8413 O OXT . VAL E 1 204 ? 32.148 -14.837 46.879 1.00 36.58 ? 204 VAL E OXT 1 HETATM 8414 C C1 . NAG F 2 . ? 27.034 -6.914 68.397 1.00 26.89 ? 205 NAG A C1 1 HETATM 8415 C C2 . NAG F 2 . ? 26.833 -7.630 69.736 1.00 30.40 ? 205 NAG A C2 1 HETATM 8416 C C3 . NAG F 2 . ? 28.138 -8.216 70.234 1.00 32.85 ? 205 NAG A C3 1 HETATM 8417 C C4 . NAG F 2 . ? 28.650 -9.189 69.191 1.00 34.34 ? 205 NAG A C4 1 HETATM 8418 C C5 . NAG F 2 . ? 28.723 -8.531 67.814 1.00 33.54 ? 205 NAG A C5 1 HETATM 8419 C C6 . NAG F 2 . ? 28.989 -9.560 66.717 1.00 35.21 ? 205 NAG A C6 1 HETATM 8420 C C7 . NAG F 2 . ? 25.124 -7.154 71.376 1.00 33.86 ? 205 NAG A C7 1 HETATM 8421 C C8 . NAG F 2 . ? 24.567 -6.216 72.406 1.00 34.30 ? 205 NAG A C8 1 HETATM 8422 N N2 . NAG F 2 . ? 26.246 -6.790 70.764 1.00 31.93 ? 205 NAG A N2 1 HETATM 8423 O O3 . NAG F 2 . ? 27.934 -8.908 71.442 1.00 32.98 ? 205 NAG A O3 1 HETATM 8424 O O4 . NAG F 2 . ? 29.931 -9.631 69.596 1.00 36.10 ? 205 NAG A O4 1 HETATM 8425 O O5 . NAG F 2 . ? 27.515 -7.863 67.472 1.00 30.02 ? 205 NAG A O5 1 HETATM 8426 O O6 . NAG F 2 . ? 30.072 -10.399 67.072 1.00 36.24 ? 205 NAG A O6 1 HETATM 8427 O O7 . NAG F 2 . ? 24.553 -8.216 71.137 1.00 34.65 ? 205 NAG A O7 1 HETATM 8428 CA CA . CA G 3 . ? 15.050 14.614 60.267 1.00 11.28 ? 206 CA A CA 1 HETATM 8429 CA CA . CA H 3 . ? 13.190 16.706 57.612 1.00 12.96 ? 207 CA A CA 1 HETATM 8430 O OXT . N7P I 4 . ? 16.545 15.585 58.454 1.00 19.27 ? 208 N7P A OXT 1 HETATM 8431 C C . N7P I 4 . ? 16.394 15.963 57.230 1.00 22.19 ? 208 N7P A C 1 HETATM 8432 O O . N7P I 4 . ? 15.430 16.702 56.937 1.00 21.66 ? 208 N7P A O 1 HETATM 8433 C CA . N7P I 4 . ? 17.317 15.583 56.139 1.00 26.18 ? 208 N7P A CA 1 HETATM 8434 N N . N7P I 4 . ? 18.645 15.435 56.632 1.00 28.97 ? 208 N7P A N 1 HETATM 8435 C C1 . N7P I 4 . ? 19.388 16.475 57.378 1.00 31.64 ? 208 N7P A C1 1 HETATM 8436 O O1 . N7P I 4 . ? 20.537 16.237 57.754 1.00 33.12 ? 208 N7P A O1 1 HETATM 8437 C C2 . N7P I 4 . ? 18.741 17.779 57.655 1.00 32.21 ? 208 N7P A C2 1 HETATM 8438 C CD . N7P I 4 . ? 19.159 14.144 56.302 1.00 28.56 ? 208 N7P A CD 1 HETATM 8439 C CG . N7P I 4 . ? 18.219 13.570 55.298 1.00 27.99 ? 208 N7P A CG 1 HETATM 8440 C CB . N7P I 4 . ? 16.915 14.270 55.566 1.00 27.12 ? 208 N7P A CB 1 HETATM 8441 C C1 . NAG J 2 . ? -16.618 -2.059 46.164 1.00 30.59 ? 205 NAG B C1 1 HETATM 8442 C C2 . NAG J 2 . ? -17.792 -2.842 46.706 1.00 35.23 ? 205 NAG B C2 1 HETATM 8443 C C3 . NAG J 2 . ? -17.339 -3.570 47.972 1.00 37.08 ? 205 NAG B C3 1 HETATM 8444 C C4 . NAG J 2 . ? -16.321 -4.645 47.587 1.00 37.82 ? 205 NAG B C4 1 HETATM 8445 C C5 . NAG J 2 . ? -15.495 -4.238 46.357 1.00 36.64 ? 205 NAG B C5 1 HETATM 8446 C C6 . NAG J 2 . ? -15.993 -4.942 45.086 1.00 36.42 ? 205 NAG B C6 1 HETATM 8447 C C7 . NAG J 2 . ? -19.945 -1.885 46.114 1.00 39.53 ? 205 NAG B C7 1 HETATM 8448 C C8 . NAG J 2 . ? -20.742 -0.615 46.108 1.00 40.05 ? 205 NAG B C8 1 HETATM 8449 N N2 . NAG J 2 . ? -18.902 -1.936 46.939 1.00 37.58 ? 205 NAG B N2 1 HETATM 8450 O O3 . NAG J 2 . ? -18.422 -4.194 48.631 1.00 37.78 ? 205 NAG B O3 1 HETATM 8451 O O4 . NAG J 2 . ? -15.497 -4.992 48.691 1.00 39.15 ? 205 NAG B O4 1 HETATM 8452 O O5 . NAG J 2 . ? -15.421 -2.831 46.160 1.00 33.82 ? 205 NAG B O5 1 HETATM 8453 O O6 . NAG J 2 . ? -15.249 -4.525 43.955 1.00 34.68 ? 205 NAG B O6 1 HETATM 8454 O O7 . NAG J 2 . ? -20.270 -2.818 45.380 1.00 40.63 ? 205 NAG B O7 1 HETATM 8455 CA CA . CA K 3 . ? -9.927 19.109 26.792 1.00 7.21 ? 206 CA B CA 1 HETATM 8456 CA CA . CA L 3 . ? -11.967 17.502 29.663 1.00 5.48 ? 207 CA B CA 1 HETATM 8457 O OXT . N7P M 4 . ? -9.754 18.353 30.370 1.00 9.67 ? 208 N7P B OXT 1 HETATM 8458 C C . N7P M 4 . ? -8.649 18.599 29.749 1.00 13.48 ? 208 N7P B C 1 HETATM 8459 O O . N7P M 4 . ? -8.690 19.188 28.647 1.00 13.30 ? 208 N7P B O 1 HETATM 8460 C CA . N7P M 4 . ? -7.316 18.206 30.246 1.00 18.15 ? 208 N7P B CA 1 HETATM 8461 N N . N7P M 4 . ? -7.276 18.166 31.665 1.00 20.50 ? 208 N7P B N 1 HETATM 8462 C C1 . N7P M 4 . ? -7.528 19.320 32.541 1.00 22.60 ? 208 N7P B C1 1 HETATM 8463 O O1 . N7P M 4 . ? -7.449 19.196 33.775 1.00 25.06 ? 208 N7P B O1 1 HETATM 8464 C C2 . N7P M 4 . ? -7.869 20.593 31.889 1.00 22.07 ? 208 N7P B C2 1 HETATM 8465 C CD . N7P M 4 . ? -6.907 16.863 32.119 1.00 20.48 ? 208 N7P B CD 1 HETATM 8466 C CG . N7P M 4 . ? -6.278 16.225 30.923 1.00 19.92 ? 208 N7P B CG 1 HETATM 8467 C CB . N7P M 4 . ? -7.039 16.824 29.783 1.00 19.63 ? 208 N7P B CB 1 HETATM 8468 C C1 . NAG N 2 . ? -10.283 -3.183 -3.183 1.00 26.61 ? 205 NAG C C1 1 HETATM 8469 C C2 . NAG N 2 . ? -11.064 -3.921 -4.283 1.00 30.66 ? 205 NAG C C2 1 HETATM 8470 C C3 . NAG N 2 . ? -12.555 -3.983 -3.992 1.00 32.48 ? 205 NAG C C3 1 HETATM 8471 C C4 . NAG N 2 . ? -12.798 -4.478 -2.578 1.00 33.72 ? 205 NAG C C4 1 HETATM 8472 C C5 . NAG N 2 . ? -11.944 -3.695 -1.583 1.00 33.49 ? 205 NAG C C5 1 HETATM 8473 C C6 . NAG N 2 . ? -12.146 -4.244 -0.172 1.00 36.03 ? 205 NAG C C6 1 HETATM 8474 C C7 . NAG N 2 . ? -10.398 -3.876 -6.662 1.00 36.55 ? 205 NAG C C7 1 HETATM 8475 C C8 . NAG N 2 . ? -10.124 -5.349 -6.666 1.00 36.53 ? 205 NAG C C8 1 HETATM 8476 N N2 . NAG N 2 . ? -10.900 -3.286 -5.577 1.00 33.38 ? 205 NAG C N2 1 HETATM 8477 O O3 . NAG N 2 . ? -13.212 -4.828 -4.920 1.00 32.85 ? 205 NAG C O3 1 HETATM 8478 O O4 . NAG N 2 . ? -14.170 -4.340 -2.260 1.00 34.28 ? 205 NAG C O4 1 HETATM 8479 O O5 . NAG N 2 . ? -10.567 -3.770 -1.928 1.00 30.16 ? 205 NAG C O5 1 HETATM 8480 O O6 . NAG N 2 . ? -11.454 -5.467 -0.036 1.00 37.44 ? 205 NAG C O6 1 HETATM 8481 O O7 . NAG N 2 . ? -10.149 -3.232 -7.684 1.00 38.42 ? 205 NAG C O7 1 HETATM 8482 CA CA . CA O 3 . ? 8.595 14.210 -5.757 1.00 8.12 ? 206 CA C CA 1 HETATM 8483 CA CA . CA P 3 . ? 12.120 15.661 -4.965 1.00 10.25 ? 207 CA C CA 1 HETATM 8484 O OXT . N7P Q 4 . ? 8.738 15.445 -3.588 1.00 11.40 ? 208 N7P C OXT 1 HETATM 8485 C C . N7P Q 4 . ? 9.664 15.732 -2.772 1.00 13.81 ? 208 N7P C C 1 HETATM 8486 O O . N7P Q 4 . ? 10.738 16.265 -3.219 1.00 14.74 ? 208 N7P C O 1 HETATM 8487 C CA . N7P Q 4 . ? 9.563 15.449 -1.329 1.00 17.51 ? 208 N7P C CA 1 HETATM 8488 N N . N7P Q 4 . ? 8.252 15.641 -0.811 1.00 19.51 ? 208 N7P C N 1 HETATM 8489 C C1 . N7P Q 4 . ? 7.408 16.842 -0.965 1.00 21.36 ? 208 N7P C C1 1 HETATM 8490 O O1 . N7P Q 4 . ? 6.284 16.858 -0.439 1.00 23.11 ? 208 N7P C O1 1 HETATM 8491 C C2 . N7P Q 4 . ? 7.927 17.993 -1.721 1.00 21.76 ? 208 N7P C C2 1 HETATM 8492 C CD . N7P Q 4 . ? 7.831 14.489 -0.080 1.00 19.58 ? 208 N7P C CD 1 HETATM 8493 C CG . N7P Q 4 . ? 9.079 13.708 0.153 1.00 19.22 ? 208 N7P C CG 1 HETATM 8494 C CB . N7P Q 4 . ? 9.879 14.014 -1.084 1.00 19.17 ? 208 N7P C CB 1 HETATM 8495 C C1 . NAG R 2 . ? 38.670 -10.009 -11.637 1.00 17.47 ? 205 NAG D C1 1 HETATM 8496 C C2 . NAG R 2 . ? 39.338 -10.997 -12.598 1.00 19.69 ? 205 NAG D C2 1 HETATM 8497 C C3 . NAG R 2 . ? 38.572 -11.154 -13.904 1.00 21.78 ? 205 NAG D C3 1 HETATM 8498 C C4 . NAG R 2 . ? 37.112 -11.441 -13.636 1.00 22.47 ? 205 NAG D C4 1 HETATM 8499 C C5 . NAG R 2 . ? 36.606 -10.308 -12.754 1.00 22.27 ? 205 NAG D C5 1 HETATM 8500 C C6 . NAG R 2 . ? 35.102 -10.373 -12.505 1.00 25.26 ? 205 NAG D C6 1 HETATM 8501 C C7 . NAG R 2 . ? 41.731 -11.378 -12.688 1.00 23.65 ? 205 NAG D C7 1 HETATM 8502 C C8 . NAG R 2 . ? 43.061 -10.837 -13.133 1.00 24.28 ? 205 NAG D C8 1 HETATM 8503 N N2 . NAG R 2 . ? 40.687 -10.597 -12.919 1.00 20.88 ? 205 NAG D N2 1 HETATM 8504 O O3 . NAG R 2 . ? 39.137 -12.200 -14.667 1.00 22.87 ? 205 NAG D O3 1 HETATM 8505 O O4 . NAG R 2 . ? 36.409 -11.430 -14.860 1.00 22.96 ? 205 NAG D O4 1 HETATM 8506 O O5 . NAG R 2 . ? 37.302 -10.320 -11.521 1.00 19.12 ? 205 NAG D O5 1 HETATM 8507 O O6 . NAG R 2 . ? 34.740 -11.621 -11.955 1.00 27.56 ? 205 NAG D O6 1 HETATM 8508 O O7 . NAG R 2 . ? 41.642 -12.484 -12.156 1.00 24.79 ? 205 NAG D O7 1 HETATM 8509 CA CA . CA S 3 . ? 48.944 10.512 6.278 1.00 8.85 ? 206 CA D CA 1 HETATM 8510 CA CA . CA T 3 . ? 48.469 8.597 2.934 1.00 6.68 ? 207 CA D CA 1 HETATM 8511 O OXT . N7P U 4 . ? 46.496 9.934 3.631 1.00 11.26 ? 208 N7P D OXT 1 HETATM 8512 C C . N7P U 4 . ? 46.041 10.486 4.707 1.00 15.88 ? 208 N7P D C 1 HETATM 8513 O O . N7P U 4 . ? 46.815 10.986 5.548 1.00 14.35 ? 208 N7P D O 1 HETATM 8514 C CA . N7P U 4 . ? 44.617 10.549 5.070 1.00 21.89 ? 208 N7P D CA 1 HETATM 8515 N N . N7P U 4 . ? 43.755 10.538 3.945 1.00 25.05 ? 208 N7P D N 1 HETATM 8516 C C1 . N7P U 4 . ? 43.637 11.646 2.983 1.00 28.07 ? 208 N7P D C1 1 HETATM 8517 O O1 . N7P U 4 . ? 42.846 11.559 2.046 1.00 29.62 ? 208 N7P D O1 1 HETATM 8518 C C2 . N7P U 4 . ? 44.491 12.834 3.189 1.00 28.37 ? 208 N7P D C2 1 HETATM 8519 C CD . N7P U 4 . ? 43.003 9.328 3.920 1.00 24.62 ? 208 N7P D CD 1 HETATM 8520 C CG . N7P U 4 . ? 42.978 8.883 5.347 1.00 23.64 ? 208 N7P D CG 1 HETATM 8521 C CB . N7P U 4 . ? 44.287 9.361 5.894 1.00 23.61 ? 208 N7P D CB 1 HETATM 8522 C C1 . NAG V 2 . ? 59.770 -13.570 32.040 1.00 17.00 ? 205 NAG E C1 1 HETATM 8523 C C2 . NAG V 2 . ? 60.736 -14.746 32.123 1.00 18.45 ? 205 NAG E C2 1 HETATM 8524 C C3 . NAG V 2 . ? 60.835 -15.484 30.781 1.00 18.13 ? 205 NAG E C3 1 HETATM 8525 C C4 . NAG V 2 . ? 59.461 -15.837 30.196 1.00 18.06 ? 205 NAG E C4 1 HETATM 8526 C C5 . NAG V 2 . ? 58.529 -14.624 30.294 1.00 18.20 ? 205 NAG E C5 1 HETATM 8527 C C6 . NAG V 2 . ? 57.101 -14.958 29.870 1.00 19.17 ? 205 NAG E C6 1 HETATM 8528 C C7 . NAG V 2 . ? 62.556 -14.430 33.698 1.00 20.54 ? 205 NAG E C7 1 HETATM 8529 C C8 . NAG V 2 . ? 63.912 -13.837 33.938 1.00 20.96 ? 205 NAG E C8 1 HETATM 8530 N N2 . NAG V 2 . ? 62.027 -14.216 32.500 1.00 18.91 ? 205 NAG E N2 1 HETATM 8531 O O3 . NAG V 2 . ? 61.600 -16.668 30.957 1.00 18.24 ? 205 NAG E O3 1 HETATM 8532 O O4 . NAG V 2 . ? 59.564 -16.228 28.826 1.00 18.06 ? 205 NAG E O4 1 HETATM 8533 O O5 . NAG V 2 . ? 58.527 -14.066 31.594 1.00 17.96 ? 205 NAG E O5 1 HETATM 8534 O O6 . NAG V 2 . ? 56.578 -16.048 30.620 1.00 19.58 ? 205 NAG E O6 1 HETATM 8535 O O7 . NAG V 2 . ? 61.986 -15.078 34.576 1.00 21.16 ? 205 NAG E O7 1 HETATM 8536 CA CA . CA W 3 . ? 52.780 8.858 43.602 1.00 6.71 ? 206 CA E CA 1 HETATM 8537 CA CA . CA X 3 . ? 49.937 11.204 44.772 1.00 7.99 ? 207 CA E CA 1 HETATM 8538 O OXT . N7P Y 4 . ? 51.689 10.117 41.762 1.00 11.67 ? 208 N7P E OXT 1 HETATM 8539 C C . N7P Y 4 . ? 50.532 10.656 41.607 1.00 16.44 ? 208 N7P E C 1 HETATM 8540 O O . N7P Y 4 . ? 50.056 11.408 42.491 1.00 14.35 ? 208 N7P E O 1 HETATM 8541 C CA . N7P Y 4 . ? 49.695 10.403 40.417 1.00 22.87 ? 208 N7P E CA 1 HETATM 8542 N N . N7P Y 4 . ? 50.470 10.240 39.229 1.00 26.48 ? 208 N7P E N 1 HETATM 8543 C C1 . N7P Y 4 . ? 51.498 11.201 38.766 1.00 29.77 ? 208 N7P E C1 1 HETATM 8544 O O1 . N7P Y 4 . ? 52.133 11.014 37.718 1.00 32.00 ? 208 N7P E O1 1 HETATM 8545 C C2 . N7P Y 4 . ? 51.736 12.389 39.609 1.00 29.68 ? 208 N7P E C2 1 HETATM 8546 C CD . N7P Y 4 . ? 50.056 9.036 38.578 1.00 26.32 ? 208 N7P E CD 1 HETATM 8547 C CG . N7P Y 4 . ? 48.724 8.710 39.181 1.00 25.13 ? 208 N7P E CG 1 HETATM 8548 C CB . N7P Y 4 . ? 48.935 9.139 40.603 1.00 24.46 ? 208 N7P E CB 1 HETATM 8549 O O . HOH Z 5 . ? -2.720 -10.926 67.574 1.00 39.37 ? 2001 HOH A O 1 HETATM 8550 O O . HOH Z 5 . ? 5.162 -8.514 68.223 1.00 32.13 ? 2002 HOH A O 1 HETATM 8551 O O . HOH Z 5 . ? 6.195 -6.714 69.664 1.00 38.02 ? 2003 HOH A O 1 HETATM 8552 O O . HOH Z 5 . ? -1.493 -13.775 63.606 1.00 28.86 ? 2004 HOH A O 1 HETATM 8553 O O . HOH Z 5 . ? -2.165 -14.135 56.854 1.00 40.14 ? 2005 HOH A O 1 HETATM 8554 O O . HOH Z 5 . ? -5.043 -5.760 58.188 1.00 43.45 ? 2006 HOH A O 1 HETATM 8555 O O . HOH Z 5 . ? -3.767 -14.747 59.338 1.00 45.45 ? 2007 HOH A O 1 HETATM 8556 O O . HOH Z 5 . ? -6.501 -5.570 55.551 1.00 40.14 ? 2008 HOH A O 1 HETATM 8557 O O . HOH Z 5 . ? -3.266 -10.827 62.596 1.00 24.10 ? 2009 HOH A O 1 HETATM 8558 O O . HOH Z 5 . ? -1.945 -11.234 56.668 1.00 19.85 ? 2010 HOH A O 1 HETATM 8559 O O . HOH Z 5 . ? -3.870 -8.371 58.840 1.00 36.31 ? 2011 HOH A O 1 HETATM 8560 O O . HOH Z 5 . ? -1.750 -15.044 61.035 1.00 21.24 ? 2012 HOH A O 1 HETATM 8561 O O . HOH Z 5 . ? 2.720 -15.747 60.178 1.00 13.47 ? 2013 HOH A O 1 HETATM 8562 O O . HOH Z 5 . ? -2.613 -11.904 53.036 1.00 33.64 ? 2014 HOH A O 1 HETATM 8563 O O . HOH Z 5 . ? 2.768 -16.081 56.616 1.00 28.30 ? 2015 HOH A O 1 HETATM 8564 O O . HOH Z 5 . ? 5.269 -13.030 55.298 1.00 31.58 ? 2016 HOH A O 1 HETATM 8565 O O . HOH Z 5 . ? 3.124 11.738 44.221 1.00 17.58 ? 2017 HOH A O 1 HETATM 8566 O O . HOH Z 5 . ? 8.776 18.178 46.271 1.00 38.13 ? 2018 HOH A O 1 HETATM 8567 O O . HOH Z 5 . ? 2.737 15.851 62.619 1.00 42.32 ? 2019 HOH A O 1 HETATM 8568 O O . HOH Z 5 . ? 0.446 -14.189 52.697 1.00 29.85 ? 2020 HOH A O 1 HETATM 8569 O O . HOH Z 5 . ? -1.841 -11.321 49.439 1.00 36.46 ? 2021 HOH A O 1 HETATM 8570 O O . HOH Z 5 . ? 4.335 -7.357 52.253 1.00 29.29 ? 2022 HOH A O 1 HETATM 8571 O O . HOH Z 5 . ? -5.960 -5.654 52.712 1.00 30.36 ? 2023 HOH A O 1 HETATM 8572 O O . HOH Z 5 . ? -0.324 8.946 51.550 1.00 14.21 ? 2024 HOH A O 1 HETATM 8573 O O . HOH Z 5 . ? -1.380 10.662 44.537 1.00 15.68 ? 2025 HOH A O 1 HETATM 8574 O O . HOH Z 5 . ? 2.235 11.541 52.206 1.00 12.96 ? 2026 HOH A O 1 HETATM 8575 O O . HOH Z 5 . ? -2.964 16.046 53.717 1.00 29.72 ? 2027 HOH A O 1 HETATM 8576 O O . HOH Z 5 . ? 24.633 -10.460 67.702 1.00 31.73 ? 2028 HOH A O 1 HETATM 8577 O O . HOH Z 5 . ? 0.642 12.532 45.182 1.00 20.19 ? 2029 HOH A O 1 HETATM 8578 O O . HOH Z 5 . ? -1.225 15.149 47.262 1.00 29.75 ? 2030 HOH A O 1 HETATM 8579 O O . HOH Z 5 . ? -1.956 16.029 50.845 1.00 35.12 ? 2031 HOH A O 1 HETATM 8580 O O . HOH Z 5 . ? 4.589 13.839 43.900 1.00 31.98 ? 2032 HOH A O 1 HETATM 8581 O O . HOH Z 5 . ? 6.815 18.398 47.837 1.00 34.28 ? 2033 HOH A O 1 HETATM 8582 O O . HOH Z 5 . ? 7.628 -3.603 37.951 1.00 34.03 ? 2034 HOH A O 1 HETATM 8583 O O . HOH Z 5 . ? 6.812 12.497 41.125 1.00 31.33 ? 2035 HOH A O 1 HETATM 8584 O O . HOH Z 5 . ? -0.634 17.523 53.783 1.00 22.44 ? 2036 HOH A O 1 HETATM 8585 O O . HOH Z 5 . ? 1.848 16.843 59.989 1.00 34.42 ? 2037 HOH A O 1 HETATM 8586 O O . HOH Z 5 . ? 15.287 8.398 36.983 1.00 32.41 ? 2038 HOH A O 1 HETATM 8587 O O . HOH Z 5 . ? 14.062 16.665 43.101 1.00 48.56 ? 2039 HOH A O 1 HETATM 8588 O O . HOH Z 5 . ? 17.097 6.258 36.274 1.00 44.76 ? 2040 HOH A O 1 HETATM 8589 O O . HOH Z 5 . ? -1.832 13.113 60.498 1.00 32.61 ? 2041 HOH A O 1 HETATM 8590 O O . HOH Z 5 . ? 3.371 9.427 53.119 1.00 12.19 ? 2042 HOH A O 1 HETATM 8591 O O . HOH Z 5 . ? 1.620 10.390 65.206 1.00 25.48 ? 2043 HOH A O 1 HETATM 8592 O O . HOH Z 5 . ? 16.779 17.735 67.221 1.00 33.80 ? 2044 HOH A O 1 HETATM 8593 O O . HOH Z 5 . ? 20.391 17.590 64.047 1.00 32.85 ? 2045 HOH A O 1 HETATM 8594 O O . HOH Z 5 . ? 6.029 7.069 66.048 1.00 36.79 ? 2046 HOH A O 1 HETATM 8595 O O . HOH Z 5 . ? 4.791 9.851 65.526 1.00 34.00 ? 2047 HOH A O 1 HETATM 8596 O O . HOH Z 5 . ? 6.941 4.813 67.257 1.00 21.91 ? 2048 HOH A O 1 HETATM 8597 O O . HOH Z 5 . ? 5.667 -3.712 66.125 1.00 22.62 ? 2049 HOH A O 1 HETATM 8598 O O . HOH Z 5 . ? 5.449 -3.915 69.823 1.00 30.86 ? 2050 HOH A O 1 HETATM 8599 O O . HOH Z 5 . ? 23.452 17.568 67.021 1.00 24.27 ? 2051 HOH A O 1 HETATM 8600 O O . HOH Z 5 . ? 33.055 8.690 64.219 1.00 36.25 ? 2052 HOH A O 1 HETATM 8601 O O . HOH Z 5 . ? 32.026 8.550 55.020 1.00 18.40 ? 2053 HOH A O 1 HETATM 8602 O O . HOH Z 5 . ? 33.257 7.654 49.702 1.00 24.28 ? 2054 HOH A O 1 HETATM 8603 O O . HOH Z 5 . ? 22.018 -4.466 69.416 1.00 19.77 ? 2055 HOH A O 1 HETATM 8604 O O . HOH Z 5 . ? 28.889 -4.086 67.707 1.00 12.60 ? 2056 HOH A O 1 HETATM 8605 O O . HOH Z 5 . ? 30.558 -0.837 70.250 1.00 22.24 ? 2057 HOH A O 1 HETATM 8606 O O . HOH Z 5 . ? 24.904 -5.035 40.964 1.00 42.94 ? 2058 HOH A O 1 HETATM 8607 O O . HOH Z 5 . ? 17.870 -4.069 39.202 1.00 34.31 ? 2059 HOH A O 1 HETATM 8608 O O . HOH Z 5 . ? 19.449 -2.442 35.125 1.00 31.46 ? 2060 HOH A O 1 HETATM 8609 O O . HOH Z 5 . ? 13.741 -4.346 38.440 1.00 34.12 ? 2061 HOH A O 1 HETATM 8610 O O . HOH Z 5 . ? 23.522 -8.420 68.457 1.00 22.41 ? 2062 HOH A O 1 HETATM 8611 O O . HOH Z 5 . ? 11.583 -3.698 36.497 1.00 46.05 ? 2063 HOH A O 1 HETATM 8612 O O . HOH Z 5 . ? 11.873 -8.456 53.982 1.00 10.02 ? 2064 HOH A O 1 HETATM 8613 O O . HOH Z 5 . ? 35.620 2.362 69.077 1.00 37.22 ? 2065 HOH A O 1 HETATM 8614 O O . HOH Z 5 . ? 27.625 -10.542 58.762 1.00 50.29 ? 2066 HOH A O 1 HETATM 8615 O O . HOH Z 5 . ? 29.201 -11.422 56.351 1.00 29.05 ? 2067 HOH A O 1 HETATM 8616 O O . HOH Z 5 . ? 10.587 -10.782 53.421 1.00 22.64 ? 2068 HOH A O 1 HETATM 8617 O O . HOH Z 5 . ? 27.166 -6.217 42.009 1.00 30.26 ? 2069 HOH A O 1 HETATM 8618 O O . HOH Z 5 . ? 10.597 1.550 44.406 1.00 10.41 ? 2070 HOH A O 1 HETATM 8619 O O . HOH Z 5 . ? 5.467 -4.323 39.387 1.00 24.07 ? 2071 HOH A O 1 HETATM 8620 O O . HOH Z 5 . ? 6.212 0.722 37.321 1.00 11.20 ? 2072 HOH A O 1 HETATM 8621 O O . HOH Z 5 . ? 11.352 2.853 41.916 1.00 13.01 ? 2073 HOH A O 1 HETATM 8622 O O . HOH Z 5 . ? 11.341 5.849 43.673 1.00 14.51 ? 2074 HOH A O 1 HETATM 8623 O O . HOH Z 5 . ? 5.069 6.570 44.141 1.00 9.96 ? 2075 HOH A O 1 HETATM 8624 O O . HOH Z 5 . ? 5.633 10.177 41.080 1.00 19.00 ? 2076 HOH A O 1 HETATM 8625 O O . HOH Z 5 . ? 4.535 9.215 43.509 1.00 16.46 ? 2077 HOH A O 1 HETATM 8626 O O . HOH Z 5 . ? 4.266 3.205 39.132 1.00 9.47 ? 2078 HOH A O 1 HETATM 8627 O O . HOH Z 5 . ? 9.174 13.093 42.161 1.00 14.99 ? 2079 HOH A O 1 HETATM 8628 O O . HOH Z 5 . ? 16.268 13.100 43.604 1.00 17.23 ? 2080 HOH A O 1 HETATM 8629 O O . HOH Z 5 . ? 16.039 10.182 41.116 1.00 18.27 ? 2081 HOH A O 1 HETATM 8630 O O . HOH Z 5 . ? 14.206 8.884 39.358 1.00 30.16 ? 2082 HOH A O 1 HETATM 8631 O O . HOH Z 5 . ? 13.273 14.916 41.034 1.00 43.81 ? 2083 HOH A O 1 HETATM 8632 O O . HOH Z 5 . ? 14.887 9.434 45.387 1.00 17.45 ? 2084 HOH A O 1 HETATM 8633 O O . HOH Z 5 . ? 14.901 15.870 45.929 1.00 27.73 ? 2085 HOH A O 1 HETATM 8634 O O . HOH Z 5 . ? 11.851 2.695 46.742 1.00 17.18 ? 2086 HOH A O 1 HETATM 8635 O O . HOH Z 5 . ? 10.241 7.489 56.842 1.00 11.44 ? 2087 HOH A O 1 HETATM 8636 O O . HOH Z 5 . ? 8.790 5.854 54.688 1.00 11.55 ? 2088 HOH A O 1 HETATM 8637 O O . HOH Z 5 . ? 9.009 9.671 54.275 1.00 22.25 ? 2089 HOH A O 1 HETATM 8638 O O . HOH Z 5 . ? 3.381 21.289 53.056 1.00 36.36 ? 2090 HOH A O 1 HETATM 8639 O O . HOH Z 5 . ? 14.555 10.535 61.006 1.00 10.99 ? 2091 HOH A O 1 HETATM 8640 O O . HOH Z 5 . ? 11.493 18.214 46.072 1.00 35.00 ? 2092 HOH A O 1 HETATM 8641 O O . HOH Z 5 . ? 13.681 14.111 67.750 1.00 22.01 ? 2093 HOH A O 1 HETATM 8642 O O . HOH Z 5 . ? 5.666 -13.619 49.430 1.00 44.80 ? 2094 HOH A O 1 HETATM 8643 O O . HOH Z 5 . ? 13.705 9.032 73.412 1.00 24.27 ? 2095 HOH A O 1 HETATM 8644 O O . HOH Z 5 . ? 15.596 16.866 74.558 1.00 42.83 ? 2096 HOH A O 1 HETATM 8645 O O . HOH Z 5 . ? 8.967 15.886 72.030 1.00 41.58 ? 2097 HOH A O 1 HETATM 8646 O O . HOH Z 5 . ? 13.213 15.980 69.799 1.00 28.03 ? 2098 HOH A O 1 HETATM 8647 O O . HOH Z 5 . ? 18.610 18.710 71.312 1.00 39.72 ? 2099 HOH A O 1 HETATM 8648 O O . HOH Z 5 . ? 26.040 14.501 72.626 1.00 33.63 ? 2100 HOH A O 1 HETATM 8649 O O . HOH Z 5 . ? 20.250 -20.336 55.503 1.00 35.73 ? 2101 HOH A O 1 HETATM 8650 O O . HOH Z 5 . ? 29.640 -14.100 55.415 1.00 27.17 ? 2102 HOH A O 1 HETATM 8651 O O . HOH Z 5 . ? 14.735 16.374 66.579 1.00 35.91 ? 2103 HOH A O 1 HETATM 8652 O O . HOH Z 5 . ? 19.342 16.406 66.754 1.00 20.86 ? 2104 HOH A O 1 HETATM 8653 O O . HOH Z 5 . ? 19.389 16.700 61.860 1.00 34.61 ? 2105 HOH A O 1 HETATM 8654 O O . HOH Z 5 . ? 21.787 14.591 59.866 1.00 22.53 ? 2106 HOH A O 1 HETATM 8655 O O . HOH Z 5 . ? 18.196 -14.577 64.225 1.00 35.05 ? 2107 HOH A O 1 HETATM 8656 O O . HOH Z 5 . ? 1.677 -13.470 66.629 1.00 19.61 ? 2108 HOH A O 1 HETATM 8657 O O . HOH Z 5 . ? 20.604 8.510 49.007 1.00 15.41 ? 2109 HOH A O 1 HETATM 8658 O O . HOH Z 5 . ? 16.930 15.662 50.242 1.00 27.05 ? 2110 HOH A O 1 HETATM 8659 O O . HOH Z 5 . ? 15.374 17.636 51.655 1.00 35.54 ? 2111 HOH A O 1 HETATM 8660 O O . HOH Z 5 . ? -7.186 -1.755 57.401 1.00 43.71 ? 2112 HOH A O 1 HETATM 8661 O O . HOH Z 5 . ? -6.026 1.335 61.314 1.00 35.13 ? 2113 HOH A O 1 HETATM 8662 O O . HOH Z 5 . ? 14.304 2.262 45.456 1.00 20.95 ? 2114 HOH A O 1 HETATM 8663 O O . HOH Z 5 . ? 14.770 7.147 43.992 1.00 26.87 ? 2115 HOH A O 1 HETATM 8664 O O . HOH Z 5 . ? -7.008 5.076 60.781 1.00 45.45 ? 2116 HOH A O 1 HETATM 8665 O O . HOH Z 5 . ? -8.460 4.162 56.529 1.00 38.53 ? 2117 HOH A O 1 HETATM 8666 O O . HOH Z 5 . ? -9.799 5.327 59.625 1.00 46.90 ? 2118 HOH A O 1 HETATM 8667 O O . HOH Z 5 . ? 17.643 14.926 46.084 1.00 44.29 ? 2119 HOH A O 1 HETATM 8668 O O . HOH Z 5 . ? 21.177 11.268 51.719 1.00 26.09 ? 2120 HOH A O 1 HETATM 8669 O O . HOH Z 5 . ? -8.075 12.108 53.497 1.00 46.40 ? 2121 HOH A O 1 HETATM 8670 O O . HOH Z 5 . ? -9.025 -0.232 53.839 1.00 40.36 ? 2122 HOH A O 1 HETATM 8671 O O . HOH Z 5 . ? 22.588 10.099 47.807 1.00 26.21 ? 2123 HOH A O 1 HETATM 8672 O O . HOH Z 5 . ? -5.449 -7.108 45.202 1.00 35.41 ? 2124 HOH A O 1 HETATM 8673 O O . HOH Z 5 . ? -4.551 -9.848 45.639 1.00 30.31 ? 2125 HOH A O 1 HETATM 8674 O O . HOH Z 5 . ? -0.319 -11.280 39.189 1.00 40.70 ? 2126 HOH A O 1 HETATM 8675 O O . HOH Z 5 . ? 20.650 9.037 40.100 1.00 34.64 ? 2127 HOH A O 1 HETATM 8676 O O . HOH Z 5 . ? 24.225 4.514 41.126 1.00 26.26 ? 2128 HOH A O 1 HETATM 8677 O O . HOH Z 5 . ? 25.075 11.469 42.242 1.00 39.57 ? 2129 HOH A O 1 HETATM 8678 O O . HOH Z 5 . ? 23.062 15.151 55.188 1.00 32.96 ? 2130 HOH A O 1 HETATM 8679 O O . HOH Z 5 . ? 25.322 14.971 66.360 1.00 32.20 ? 2131 HOH A O 1 HETATM 8680 O O . HOH Z 5 . ? 25.805 12.788 68.672 1.00 30.51 ? 2132 HOH A O 1 HETATM 8681 O O . HOH Z 5 . ? 31.321 8.620 62.048 1.00 14.26 ? 2133 HOH A O 1 HETATM 8682 O O . HOH Z 5 . ? 29.632 14.049 65.945 1.00 26.85 ? 2134 HOH A O 1 HETATM 8683 O O . HOH Z 5 . ? 29.671 9.585 58.120 1.00 25.07 ? 2135 HOH A O 1 HETATM 8684 O O . HOH Z 5 . ? 28.056 12.566 57.772 1.00 27.18 ? 2136 HOH A O 1 HETATM 8685 O O . HOH Z 5 . ? 29.704 9.613 54.138 1.00 17.57 ? 2137 HOH A O 1 HETATM 8686 O O . HOH Z 5 . ? 25.038 11.280 49.354 1.00 38.42 ? 2138 HOH A O 1 HETATM 8687 O O . HOH Z 5 . ? 29.602 7.179 52.413 1.00 17.86 ? 2139 HOH A O 1 HETATM 8688 O O . HOH Z 5 . ? 28.429 6.819 47.499 1.00 25.36 ? 2140 HOH A O 1 HETATM 8689 O O . HOH Z 5 . ? 30.748 6.868 50.179 1.00 23.91 ? 2141 HOH A O 1 HETATM 8690 O O . HOH Z 5 . ? 26.723 -0.404 52.326 1.00 14.76 ? 2142 HOH A O 1 HETATM 8691 O O . HOH Z 5 . ? 27.907 0.254 46.360 1.00 8.86 ? 2143 HOH A O 1 HETATM 8692 O O . HOH Z 5 . ? 26.551 -1.791 43.714 1.00 10.27 ? 2144 HOH A O 1 HETATM 8693 O O . HOH Z 5 . ? 20.870 2.896 39.389 1.00 23.47 ? 2145 HOH A O 1 HETATM 8694 O O . HOH Z 5 . ? 25.357 -2.218 41.236 1.00 19.02 ? 2146 HOH A O 1 HETATM 8695 O O . HOH Z 5 . ? 19.229 -3.491 41.647 1.00 24.72 ? 2147 HOH A O 1 HETATM 8696 O O . HOH Z 5 . ? 19.003 -3.743 36.953 1.00 33.97 ? 2148 HOH A O 1 HETATM 8697 O O . HOH Z 5 . ? 19.299 0.757 35.083 1.00 42.39 ? 2149 HOH A O 1 HETATM 8698 O O . HOH Z 5 . ? 13.834 0.708 42.960 1.00 19.49 ? 2150 HOH A O 1 HETATM 8699 O O . HOH Z 5 . ? 14.533 2.780 41.366 1.00 20.56 ? 2151 HOH A O 1 HETATM 8700 O O . HOH Z 5 . ? 15.739 -2.675 39.606 1.00 20.60 ? 2152 HOH A O 1 HETATM 8701 O O . HOH Z 5 . ? 15.237 2.126 34.375 1.00 28.24 ? 2153 HOH A O 1 HETATM 8702 O O . HOH Z 5 . ? 11.219 5.135 33.664 1.00 27.21 ? 2154 HOH A O 1 HETATM 8703 O O . HOH Z 5 . ? 9.572 -2.150 37.010 1.00 38.44 ? 2155 HOH A O 1 HETATM 8704 O O . HOH Z 5 . ? 8.176 -0.020 35.521 1.00 19.43 ? 2156 HOH A O 1 HETATM 8705 O O . HOH Z 5 . ? 12.266 -5.114 40.776 1.00 24.66 ? 2157 HOH A O 1 HETATM 8706 O O . HOH Z 5 . ? 12.675 -6.720 44.302 1.00 28.28 ? 2158 HOH A O 1 HETATM 8707 O O . HOH Z 5 . ? 14.689 -2.643 42.213 1.00 15.82 ? 2159 HOH A O 1 HETATM 8708 O O . HOH Z 5 . ? 18.053 -7.210 49.604 1.00 7.36 ? 2160 HOH A O 1 HETATM 8709 O O . HOH Z 5 . ? 27.016 -4.425 59.325 1.00 10.43 ? 2161 HOH A O 1 HETATM 8710 O O . HOH Z 5 . ? 24.194 -7.640 57.139 1.00 16.74 ? 2162 HOH A O 1 HETATM 8711 O O . HOH Z 5 . ? 36.226 -3.668 64.444 1.00 30.57 ? 2163 HOH A O 1 HETATM 8712 O O . HOH Z 5 . ? 35.192 -0.930 68.637 1.00 32.17 ? 2164 HOH A O 1 HETATM 8713 O O . HOH Z 5 . ? 34.218 -5.599 65.161 1.00 37.68 ? 2165 HOH A O 1 HETATM 8714 O O . HOH Z 5 . ? 26.168 -10.015 56.164 1.00 22.36 ? 2166 HOH A O 1 HETATM 8715 O O . HOH Z 5 . ? 28.213 -6.319 52.473 1.00 15.36 ? 2167 HOH A O 1 HETATM 8716 O O . HOH Z 5 . ? 30.812 -9.018 55.575 1.00 24.51 ? 2168 HOH A O 1 HETATM 8717 O O . HOH Z 5 . ? 28.992 -6.198 58.964 1.00 17.71 ? 2169 HOH A O 1 HETATM 8718 O O . HOH Z 5 . ? 26.916 -4.080 51.837 1.00 14.69 ? 2170 HOH A O 1 HETATM 8719 O O . HOH Z 5 . ? 20.449 -4.921 42.946 1.00 29.77 ? 2171 HOH A O 1 HETATM 8720 O O . HOH Z 5 . ? 18.705 -5.492 41.550 1.00 33.24 ? 2172 HOH A O 1 HETATM 8721 O O . HOH Z 5 . ? 20.105 -12.841 45.130 1.00 37.27 ? 2173 HOH A O 1 HETATM 8722 O O . HOH Z 5 . ? 24.150 -12.234 46.844 1.00 27.80 ? 2174 HOH A O 1 HETATM 8723 O O . HOH Z 5 . ? 27.712 -7.132 44.470 1.00 21.81 ? 2175 HOH A O 1 HETATM 8724 O O . HOH Z 5 . ? 29.925 -5.674 50.310 1.00 8.93 ? 2176 HOH A O 1 HETATM 8725 O O . HOH Z 5 . ? 32.359 -8.214 51.801 1.00 9.80 ? 2177 HOH A O 1 HETATM 8726 O O . HOH Z 5 . ? 32.825 5.556 48.134 1.00 15.26 ? 2178 HOH A O 1 HETATM 8727 O O . HOH Z 5 . ? 31.803 7.941 57.719 1.00 24.43 ? 2179 HOH A O 1 HETATM 8728 O O . HOH Z 5 . ? 33.135 4.592 62.011 1.00 12.64 ? 2180 HOH A O 1 HETATM 8729 O O . HOH Z 5 . ? 30.731 8.150 67.273 1.00 30.72 ? 2181 HOH A O 1 HETATM 8730 O O . HOH Z 5 . ? 34.020 6.166 63.413 1.00 35.06 ? 2182 HOH A O 1 HETATM 8731 O O . HOH Z 5 . ? 34.100 6.558 66.051 1.00 28.55 ? 2183 HOH A O 1 HETATM 8732 O O . HOH Z 5 . ? 32.058 6.471 69.002 1.00 46.73 ? 2184 HOH A O 1 HETATM 8733 O O . HOH Z 5 . ? 36.439 5.180 63.921 1.00 39.47 ? 2185 HOH A O 1 HETATM 8734 O O . HOH Z 5 . ? 39.355 2.228 63.948 1.00 26.73 ? 2186 HOH A O 1 HETATM 8735 O O . HOH Z 5 . ? 31.796 1.827 72.499 1.00 31.55 ? 2187 HOH A O 1 HETATM 8736 O O . HOH Z 5 . ? 23.710 9.789 71.420 1.00 28.43 ? 2188 HOH A O 1 HETATM 8737 O O . HOH Z 5 . ? 27.123 6.432 72.186 1.00 22.82 ? 2189 HOH A O 1 HETATM 8738 O O . HOH Z 5 . ? 24.328 7.323 72.354 1.00 28.35 ? 2190 HOH A O 1 HETATM 8739 O O . HOH Z 5 . ? 16.578 8.079 74.297 1.00 31.52 ? 2191 HOH A O 1 HETATM 8740 O O . HOH Z 5 . ? 19.340 5.826 74.951 1.00 33.59 ? 2192 HOH A O 1 HETATM 8741 O O . HOH Z 5 . ? 11.863 9.166 75.563 1.00 38.70 ? 2193 HOH A O 1 HETATM 8742 O O . HOH Z 5 . ? 8.231 13.998 55.677 1.00 11.75 ? 2194 HOH A O 1 HETATM 8743 O O . HOH Z 5 . ? 10.845 16.471 58.219 1.00 14.18 ? 2195 HOH A O 1 HETATM 8744 O O . HOH Z 5 . ? 12.954 18.819 56.323 1.00 19.30 ? 2196 HOH A O 1 HETATM 8745 O O . HOH Z 5 . ? 11.073 20.653 59.624 1.00 29.40 ? 2197 HOH A O 1 HETATM 8746 O O . HOH Z 5 . ? 6.431 17.841 66.612 1.00 34.70 ? 2198 HOH A O 1 HETATM 8747 O O . HOH Z 5 . ? 10.534 16.949 69.798 1.00 27.73 ? 2199 HOH A O 1 HETATM 8748 O O . HOH Z 5 . ? 3.045 13.755 64.705 1.00 34.92 ? 2200 HOH A O 1 HETATM 8749 O O . HOH Z 5 . ? 4.348 17.628 60.994 1.00 25.08 ? 2201 HOH A O 1 HETATM 8750 O O . HOH Z 5 . ? 4.715 18.464 64.148 1.00 30.82 ? 2202 HOH A O 1 HETATM 8751 O O . HOH Z 5 . ? 5.426 19.861 59.782 1.00 48.42 ? 2203 HOH A O 1 HETATM 8752 O O . HOH Z 5 . ? 6.074 20.529 54.203 1.00 22.80 ? 2204 HOH A O 1 HETATM 8753 O O . HOH Z 5 . ? 12.995 16.416 48.106 1.00 35.75 ? 2205 HOH A O 1 HETATM 8754 O O . HOH Z 5 . ? -0.041 -3.932 46.247 1.00 12.97 ? 2206 HOH A O 1 HETATM 8755 O O . HOH Z 5 . ? 0.806 -2.025 43.118 1.00 11.43 ? 2207 HOH A O 1 HETATM 8756 O O . HOH Z 5 . ? 6.688 -11.007 55.119 1.00 27.40 ? 2208 HOH A O 1 HETATM 8757 O O . HOH Z 5 . ? 6.745 -11.440 50.388 1.00 39.03 ? 2209 HOH A O 1 HETATM 8758 O O . HOH Z 5 . ? 18.568 -10.582 66.313 1.00 17.37 ? 2210 HOH A O 1 HETATM 8759 O O . HOH Z 5 . ? 22.121 -12.495 63.403 1.00 31.72 ? 2211 HOH A O 1 HETATM 8760 O O . HOH Z 5 . ? 25.317 -9.166 65.367 1.00 18.32 ? 2212 HOH A O 1 HETATM 8761 O O . HOH Z 5 . ? 26.660 -11.502 60.769 1.00 30.97 ? 2213 HOH A O 1 HETATM 8762 O O . HOH Z 5 . ? 19.462 -18.353 52.214 1.00 25.67 ? 2214 HOH A O 1 HETATM 8763 O O . HOH Z 5 . ? 18.634 -18.322 56.218 1.00 20.96 ? 2215 HOH A O 1 HETATM 8764 O O . HOH Z 5 . ? 27.057 -17.396 58.452 1.00 45.68 ? 2216 HOH A O 1 HETATM 8765 O O . HOH Z 5 . ? 28.203 -16.327 56.404 1.00 45.08 ? 2217 HOH A O 1 HETATM 8766 O O . HOH Z 5 . ? 27.454 -20.063 56.797 1.00 52.34 ? 2218 HOH A O 1 HETATM 8767 O O . HOH Z 5 . ? 15.886 -13.071 57.650 1.00 11.29 ? 2219 HOH A O 1 HETATM 8768 O O . HOH Z 5 . ? 20.466 -19.259 59.967 1.00 35.12 ? 2220 HOH A O 1 HETATM 8769 O O . HOH Z 5 . ? 10.103 -12.738 47.138 1.00 44.60 ? 2221 HOH A O 1 HETATM 8770 O O . HOH Z 5 . ? 17.000 -11.150 42.111 1.00 35.68 ? 2222 HOH A O 1 HETATM 8771 O O . HOH Z 5 . ? 13.543 -19.074 50.798 1.00 36.90 ? 2223 HOH A O 1 HETATM 8772 O O . HOH Z 5 . ? 7.230 -14.765 55.235 1.00 41.09 ? 2224 HOH A O 1 HETATM 8773 O O . HOH Z 5 . ? 13.871 -18.845 57.062 1.00 42.71 ? 2225 HOH A O 1 HETATM 8774 O O . HOH Z 5 . ? 8.936 -16.271 57.359 1.00 24.03 ? 2226 HOH A O 1 HETATM 8775 O O . HOH Z 5 . ? 9.977 -13.119 60.518 1.00 22.14 ? 2227 HOH A O 1 HETATM 8776 O O . HOH Z 5 . ? 15.847 -15.085 64.444 1.00 33.23 ? 2228 HOH A O 1 HETATM 8777 O O . HOH Z 5 . ? 15.578 -11.410 66.140 1.00 26.84 ? 2229 HOH A O 1 HETATM 8778 O O . HOH Z 5 . ? 11.456 -12.237 67.595 1.00 25.02 ? 2230 HOH A O 1 HETATM 8779 O O . HOH Z 5 . ? 9.213 -7.932 67.034 1.00 22.56 ? 2231 HOH A O 1 HETATM 8780 O O . HOH Z 5 . ? 10.890 -8.876 70.817 1.00 30.57 ? 2232 HOH A O 1 HETATM 8781 O O . HOH Z 5 . ? 15.117 -12.413 70.616 1.00 29.92 ? 2233 HOH A O 1 HETATM 8782 O O . HOH Z 5 . ? 6.884 -6.261 65.806 1.00 12.50 ? 2234 HOH A O 1 HETATM 8783 O O . HOH Z 5 . ? 0.652 -12.188 64.439 1.00 19.97 ? 2235 HOH A O 1 HETATM 8784 O O . HOH Z 5 . ? 5.311 -17.556 59.226 1.00 25.39 ? 2236 HOH A O 1 HETATM 8785 O O . HOH Z 5 . ? -1.230 -2.972 65.666 1.00 30.58 ? 2237 HOH A O 1 HETATM 8786 O O . HOH Z 5 . ? -3.774 0.348 64.889 1.00 38.29 ? 2238 HOH A O 1 HETATM 8787 O O . HOH Z 5 . ? -5.348 -1.180 60.446 1.00 31.89 ? 2239 HOH A O 1 HETATM 8788 O O . HOH Z 5 . ? -4.174 2.340 63.318 1.00 21.83 ? 2240 HOH A O 1 HETATM 8789 O O . HOH Z 5 . ? -5.782 4.786 62.511 1.00 47.90 ? 2241 HOH A O 1 HETATM 8790 O O . HOH Z 5 . ? -5.601 9.948 61.629 1.00 31.85 ? 2242 HOH A O 1 HETATM 8791 O O . HOH Z 5 . ? -6.826 6.313 56.155 1.00 31.77 ? 2243 HOH A O 1 HETATM 8792 O O . HOH Z 5 . ? -6.725 7.464 59.249 1.00 32.19 ? 2244 HOH A O 1 HETATM 8793 O O . HOH Z 5 . ? -6.989 11.339 56.241 1.00 41.09 ? 2245 HOH A O 1 HETATM 8794 O O . HOH Z 5 . ? -8.641 9.818 48.405 1.00 16.62 ? 2246 HOH A O 1 HETATM 8795 O O . HOH Z 5 . ? -6.516 2.599 56.695 1.00 22.58 ? 2247 HOH A O 1 HETATM 8796 O O . HOH Z 5 . ? -6.690 0.110 55.513 1.00 17.18 ? 2248 HOH A O 1 HETATM 8797 O O . HOH Z 5 . ? -8.283 -2.071 51.968 1.00 31.04 ? 2249 HOH A O 1 HETATM 8798 O O . HOH Z 5 . ? -7.718 -1.755 45.031 1.00 20.82 ? 2250 HOH A O 1 HETATM 8799 O O . HOH Z 5 . ? -4.161 -4.620 45.904 1.00 25.84 ? 2251 HOH A O 1 HETATM 8800 O O . HOH Z 5 . ? -1.920 -10.493 45.823 1.00 45.21 ? 2252 HOH A O 1 HETATM 8801 O O . HOH Z 5 . ? -0.347 -10.086 41.522 1.00 22.32 ? 2253 HOH A O 1 HETATM 8802 O O . HOH Z 5 . ? 2.964 -8.845 39.943 1.00 29.21 ? 2254 HOH A O 1 HETATM 8803 O O . HOH Z 5 . ? 5.639 -6.760 39.848 1.00 28.06 ? 2255 HOH A O 1 HETATM 8804 O O . HOH Z 5 . ? 8.824 -7.745 42.960 1.00 31.52 ? 2256 HOH A O 1 HETATM 8805 O O . HOH Z 5 . ? 32.141 -11.671 66.577 1.00 47.25 ? 2257 HOH A O 1 HETATM 8806 O O . HOH AA 5 . ? -27.029 -2.789 22.351 1.00 35.35 ? 2001 HOH B O 1 HETATM 8807 O O . HOH AA 5 . ? -17.069 -12.532 15.831 1.00 36.54 ? 2002 HOH B O 1 HETATM 8808 O O . HOH AA 5 . ? -22.051 -8.884 15.992 1.00 24.86 ? 2003 HOH B O 1 HETATM 8809 O O . HOH AA 5 . ? -16.124 -10.062 15.670 1.00 19.48 ? 2004 HOH B O 1 HETATM 8810 O O . HOH AA 5 . ? -18.488 -7.592 14.135 1.00 40.29 ? 2005 HOH B O 1 HETATM 8811 O O . HOH AA 5 . ? -12.856 -11.163 14.151 1.00 33.78 ? 2006 HOH B O 1 HETATM 8812 O O . HOH AA 5 . ? -14.758 -14.090 21.368 1.00 36.37 ? 2007 HOH B O 1 HETATM 8813 O O . HOH AA 5 . ? -0.820 11.578 13.913 1.00 14.85 ? 2008 HOH B O 1 HETATM 8814 O O . HOH AA 5 . ? -0.953 14.632 11.471 1.00 37.82 ? 2009 HOH B O 1 HETATM 8815 O O . HOH AA 5 . ? 1.133 14.773 12.568 1.00 36.98 ? 2010 HOH B O 1 HETATM 8816 O O . HOH AA 5 . ? 2.916 12.473 16.039 1.00 29.28 ? 2011 HOH B O 1 HETATM 8817 O O . HOH AA 5 . ? -9.042 -10.996 13.958 1.00 30.78 ? 2012 HOH B O 1 HETATM 8818 O O . HOH AA 5 . ? -18.007 16.624 16.847 1.00 40.96 ? 2013 HOH B O 1 HETATM 8819 O O . HOH AA 5 . ? -9.578 -6.158 19.969 1.00 23.51 ? 2014 HOH B O 1 HETATM 8820 O O . HOH AA 5 . ? -17.720 -5.104 12.898 1.00 39.52 ? 2015 HOH B O 1 HETATM 8821 O O . HOH AA 5 . ? -15.952 -5.223 10.611 1.00 36.02 ? 2016 HOH B O 1 HETATM 8822 O O . HOH AA 5 . ? -28.649 1.074 26.077 1.00 24.37 ? 2017 HOH B O 1 HETATM 8823 O O . HOH AA 5 . ? -29.559 4.736 29.742 1.00 33.21 ? 2018 HOH B O 1 HETATM 8824 O O . HOH AA 5 . ? -27.508 8.991 40.035 1.00 31.80 ? 2019 HOH B O 1 HETATM 8825 O O . HOH AA 5 . ? -9.192 9.463 13.146 1.00 16.29 ? 2020 HOH B O 1 HETATM 8826 O O . HOH AA 5 . ? -2.576 10.097 9.969 1.00 16.44 ? 2021 HOH B O 1 HETATM 8827 O O . HOH AA 5 . ? -8.827 12.313 15.337 1.00 12.08 ? 2022 HOH B O 1 HETATM 8828 O O . HOH AA 5 . ? -4.721 14.756 10.326 1.00 32.05 ? 2023 HOH B O 1 HETATM 8829 O O . HOH AA 5 . ? -2.561 12.455 11.865 1.00 16.16 ? 2024 HOH B O 1 HETATM 8830 O O . HOH AA 5 . ? 0.655 13.697 15.002 1.00 27.83 ? 2025 HOH B O 1 HETATM 8831 O O . HOH AA 5 . ? -2.426 18.438 17.532 1.00 29.62 ? 2026 HOH B O 1 HETATM 8832 O O . HOH AA 5 . ? -7.833 18.193 11.509 1.00 31.31 ? 2027 HOH B O 1 HETATM 8833 O O . HOH AA 5 . ? 5.390 -3.694 18.046 1.00 32.08 ? 2028 HOH B O 1 HETATM 8834 O O . HOH AA 5 . ? -15.632 18.581 17.245 1.00 26.61 ? 2029 HOH B O 1 HETATM 8835 O O . HOH AA 5 . ? 5.053 15.195 19.176 1.00 33.59 ? 2030 HOH B O 1 HETATM 8836 O O . HOH AA 5 . ? 8.176 12.820 25.732 1.00 31.21 ? 2031 HOH B O 1 HETATM 8837 O O . HOH AA 5 . ? 9.840 8.690 23.445 1.00 26.46 ? 2032 HOH B O 1 HETATM 8838 O O . HOH AA 5 . ? -17.879 14.334 15.272 1.00 31.53 ? 2033 HOH B O 1 HETATM 8839 O O . HOH AA 5 . ? -17.099 17.915 14.105 1.00 31.73 ? 2034 HOH B O 1 HETATM 8840 O O . HOH AA 5 . ? 3.859 17.687 23.171 1.00 38.72 ? 2035 HOH B O 1 HETATM 8841 O O . HOH AA 5 . ? 2.858 18.795 20.977 1.00 40.03 ? 2036 HOH B O 1 HETATM 8842 O O . HOH AA 5 . ? -9.377 10.358 17.074 1.00 7.67 ? 2037 HOH B O 1 HETATM 8843 O O . HOH AA 5 . ? -21.143 12.460 19.078 1.00 27.57 ? 2038 HOH B O 1 HETATM 8844 O O . HOH AA 5 . ? -20.636 22.225 31.096 1.00 33.94 ? 2039 HOH B O 1 HETATM 8845 O O . HOH AA 5 . ? -15.431 23.006 32.768 1.00 30.09 ? 2040 HOH B O 1 HETATM 8846 O O . HOH AA 5 . ? -20.514 12.330 21.995 1.00 28.21 ? 2041 HOH B O 1 HETATM 8847 O O . HOH AA 5 . ? -22.766 5.478 28.025 1.00 33.78 ? 2042 HOH B O 1 HETATM 8848 O O . HOH AA 5 . ? -21.845 7.798 25.380 1.00 14.56 ? 2043 HOH B O 1 HETATM 8849 O O . HOH AA 5 . ? -26.275 -0.083 25.597 1.00 24.24 ? 2044 HOH B O 1 HETATM 8850 O O . HOH AA 5 . ? -21.923 -1.015 25.041 1.00 20.65 ? 2045 HOH B O 1 HETATM 8851 O O . HOH AA 5 . ? -25.791 5.001 31.663 1.00 19.46 ? 2046 HOH B O 1 HETATM 8852 O O . HOH AA 5 . ? -30.865 2.002 30.958 1.00 15.81 ? 2047 HOH B O 1 HETATM 8853 O O . HOH AA 5 . ? 5.412 16.079 35.421 1.00 50.21 ? 2048 HOH B O 1 HETATM 8854 O O . HOH AA 5 . ? 9.822 13.711 32.102 1.00 50.49 ? 2049 HOH B O 1 HETATM 8855 O O . HOH AA 5 . ? -24.731 5.483 34.200 1.00 16.08 ? 2050 HOH B O 1 HETATM 8856 O O . HOH AA 5 . ? -28.422 -0.588 35.653 1.00 17.44 ? 2051 HOH B O 1 HETATM 8857 O O . HOH AA 5 . ? -28.338 6.148 31.217 1.00 25.87 ? 2052 HOH B O 1 HETATM 8858 O O . HOH AA 5 . ? -29.104 8.079 37.502 1.00 26.40 ? 2053 HOH B O 1 HETATM 8859 O O . HOH AA 5 . ? -22.240 5.005 35.283 1.00 14.99 ? 2054 HOH B O 1 HETATM 8860 O O . HOH AA 5 . ? -23.922 -5.386 39.272 1.00 45.79 ? 2055 HOH B O 1 HETATM 8861 O O . HOH AA 5 . ? -11.052 14.075 48.006 1.00 42.63 ? 2056 HOH B O 1 HETATM 8862 O O . HOH AA 5 . ? -23.804 2.660 42.957 1.00 33.39 ? 2057 HOH B O 1 HETATM 8863 O O . HOH AA 5 . ? 2.350 12.797 39.942 1.00 38.22 ? 2058 HOH B O 1 HETATM 8864 O O . HOH AA 5 . ? 3.947 12.365 37.463 1.00 38.91 ? 2059 HOH B O 1 HETATM 8865 O O . HOH AA 5 . ? -19.815 0.580 41.217 1.00 17.26 ? 2060 HOH B O 1 HETATM 8866 O O . HOH AA 5 . ? -17.552 4.983 49.281 1.00 27.53 ? 2061 HOH B O 1 HETATM 8867 O O . HOH AA 5 . ? -15.837 1.300 47.325 1.00 13.26 ? 2062 HOH B O 1 HETATM 8868 O O . HOH AA 5 . ? 6.823 -3.887 24.024 1.00 31.18 ? 2063 HOH B O 1 HETATM 8869 O O . HOH AA 5 . ? 7.146 -3.167 28.331 1.00 37.58 ? 2064 HOH B O 1 HETATM 8870 O O . HOH AA 5 . ? -18.659 -3.439 43.134 1.00 21.68 ? 2065 HOH B O 1 HETATM 8871 O O . HOH AA 5 . ? 8.526 -2.950 17.762 1.00 34.80 ? 2066 HOH B O 1 HETATM 8872 O O . HOH AA 5 . ? 4.534 -6.029 21.170 1.00 33.74 ? 2067 HOH B O 1 HETATM 8873 O O . HOH AA 5 . ? -8.768 -6.376 27.765 1.00 12.03 ? 2068 HOH B O 1 HETATM 8874 O O . HOH AA 5 . ? -1.989 -5.486 23.931 1.00 25.88 ? 2069 HOH B O 1 HETATM 8875 O O . HOH AA 5 . ? -8.807 -8.910 26.714 1.00 25.16 ? 2070 HOH B O 1 HETATM 8876 O O . HOH AA 5 . ? -4.768 -11.683 23.333 1.00 49.85 ? 2071 HOH B O 1 HETATM 8877 O O . HOH AA 5 . ? 0.690 2.361 22.245 1.00 9.37 ? 2072 HOH B O 1 HETATM 8878 O O . HOH AA 5 . ? 3.375 -4.493 16.794 1.00 28.70 ? 2073 HOH B O 1 HETATM 8879 O O . HOH AA 5 . ? 5.996 0.351 16.015 1.00 10.71 ? 2074 HOH B O 1 HETATM 8880 O O . HOH AA 5 . ? 1.876 6.626 22.162 1.00 12.42 ? 2075 HOH B O 1 HETATM 8881 O O . HOH AA 5 . ? 3.357 3.399 21.931 1.00 11.99 ? 2076 HOH B O 1 HETATM 8882 O O . HOH AA 5 . ? -0.510 6.798 16.368 1.00 8.21 ? 2077 HOH B O 1 HETATM 8883 O O . HOH AA 5 . ? 2.857 9.877 15.372 1.00 13.09 ? 2078 HOH B O 1 HETATM 8884 O O . HOH AA 5 . ? 5.828 10.385 18.019 1.00 23.02 ? 2079 HOH B O 1 HETATM 8885 O O . HOH AA 5 . ? 0.113 9.192 15.300 1.00 13.20 ? 2080 HOH B O 1 HETATM 8886 O O . HOH AA 5 . ? 3.841 2.805 14.466 1.00 8.17 ? 2081 HOH B O 1 HETATM 8887 O O . HOH AA 5 . ? -23.890 10.463 42.430 1.00 38.68 ? 2082 HOH B O 1 HETATM 8888 O O . HOH AA 5 . ? 4.428 8.299 23.548 1.00 23.57 ? 2083 HOH B O 1 HETATM 8889 O O . HOH AA 5 . ? 3.185 13.373 18.680 1.00 11.34 ? 2084 HOH B O 1 HETATM 8890 O O . HOH AA 5 . ? 3.838 14.417 25.738 1.00 15.46 ? 2085 HOH B O 1 HETATM 8891 O O . HOH AA 5 . ? 6.068 11.208 25.042 1.00 13.94 ? 2086 HOH B O 1 HETATM 8892 O O . HOH AA 5 . ? 6.992 9.421 22.957 1.00 21.20 ? 2087 HOH B O 1 HETATM 8893 O O . HOH AA 5 . ? 1.583 10.776 25.503 1.00 13.22 ? 2088 HOH B O 1 HETATM 8894 O O . HOH AA 5 . ? 1.406 17.236 24.735 1.00 25.53 ? 2089 HOH B O 1 HETATM 8895 O O . HOH AA 5 . ? -1.186 3.897 23.959 1.00 14.86 ? 2090 HOH B O 1 HETATM 8896 O O . HOH AA 5 . ? -21.431 23.056 27.689 1.00 40.45 ? 2091 HOH B O 1 HETATM 8897 O O . HOH AA 5 . ? -8.568 11.256 22.728 1.00 22.98 ? 2092 HOH B O 1 HETATM 8898 O O . HOH AA 5 . ? -9.249 7.511 23.096 1.00 9.44 ? 2093 HOH B O 1 HETATM 8899 O O . HOH AA 5 . ? -10.860 9.511 24.906 1.00 8.02 ? 2094 HOH B O 1 HETATM 8900 O O . HOH AA 5 . ? -28.686 13.214 26.413 1.00 47.49 ? 2095 HOH B O 1 HETATM 8901 O O . HOH AA 5 . ? -6.416 22.610 17.263 1.00 33.02 ? 2096 HOH B O 1 HETATM 8902 O O . HOH AA 5 . ? -13.080 13.479 29.912 1.00 7.50 ? 2097 HOH B O 1 HETATM 8903 O O . HOH AA 5 . ? 0.412 19.273 21.420 1.00 30.82 ? 2098 HOH B O 1 HETATM 8904 O O . HOH AA 5 . ? -19.400 17.650 30.740 1.00 11.88 ? 2099 HOH B O 1 HETATM 8905 O O . HOH AA 5 . ? -23.535 15.328 36.302 1.00 26.78 ? 2100 HOH B O 1 HETATM 8906 O O . HOH AA 5 . ? -25.218 13.242 33.043 1.00 13.30 ? 2101 HOH B O 1 HETATM 8907 O O . HOH AA 5 . ? -25.253 19.440 27.557 1.00 34.00 ? 2102 HOH B O 1 HETATM 8908 O O . HOH AA 5 . ? -27.921 16.097 29.948 1.00 32.76 ? 2103 HOH B O 1 HETATM 8909 O O . HOH AA 5 . ? -19.395 -8.724 37.305 1.00 36.48 ? 2104 HOH B O 1 HETATM 8910 O O . HOH AA 5 . ? -21.450 19.600 30.413 1.00 14.57 ? 2105 HOH B O 1 HETATM 8911 O O . HOH AA 5 . ? -17.732 20.822 37.807 1.00 38.56 ? 2106 HOH B O 1 HETATM 8912 O O . HOH AA 5 . ? -17.812 21.860 33.217 1.00 19.22 ? 2107 HOH B O 1 HETATM 8913 O O . HOH AA 5 . ? -21.427 22.736 35.585 1.00 18.64 ? 2108 HOH B O 1 HETATM 8914 O O . HOH AA 5 . ? -17.933 19.928 31.111 1.00 21.18 ? 2109 HOH B O 1 HETATM 8915 O O . HOH AA 5 . ? -16.610 20.528 35.356 1.00 12.20 ? 2110 HOH B O 1 HETATM 8916 O O . HOH AA 5 . ? -11.899 20.332 33.819 1.00 25.52 ? 2111 HOH B O 1 HETATM 8917 O O . HOH AA 5 . ? -11.022 21.781 30.406 1.00 37.89 ? 2112 HOH B O 1 HETATM 8918 O O . HOH AA 5 . ? -6.726 -19.686 29.809 1.00 39.30 ? 2113 HOH B O 1 HETATM 8919 O O . HOH AA 5 . ? -9.651 18.016 35.813 1.00 17.39 ? 2114 HOH B O 1 HETATM 8920 O O . HOH AA 5 . ? -24.370 -9.005 35.043 1.00 32.74 ? 2115 HOH B O 1 HETATM 8921 O O . HOH AA 5 . ? -1.872 17.603 28.187 1.00 21.30 ? 2116 HOH B O 1 HETATM 8922 O O . HOH AA 5 . ? -3.527 19.596 26.932 1.00 27.17 ? 2117 HOH B O 1 HETATM 8923 O O . HOH AA 5 . ? -17.844 -0.935 10.289 1.00 34.90 ? 2118 HOH B O 1 HETATM 8924 O O . HOH AA 5 . ? 0.910 3.563 25.884 1.00 16.15 ? 2119 HOH B O 1 HETATM 8925 O O . HOH AA 5 . ? 3.703 5.526 24.249 1.00 29.57 ? 2120 HOH B O 1 HETATM 8926 O O . HOH AA 5 . ? 2.706 8.368 25.246 1.00 23.17 ? 2121 HOH B O 1 HETATM 8927 O O . HOH AA 5 . ? 0.793 15.720 29.750 1.00 28.82 ? 2122 HOH B O 1 HETATM 8928 O O . HOH AA 5 . ? 2.194 12.487 33.366 1.00 31.10 ? 2123 HOH B O 1 HETATM 8929 O O . HOH AA 5 . ? 8.346 10.518 29.710 1.00 34.39 ? 2124 HOH B O 1 HETATM 8930 O O . HOH AA 5 . ? 8.262 6.507 33.380 1.00 28.60 ? 2125 HOH B O 1 HETATM 8931 O O . HOH AA 5 . ? 7.409 13.451 34.523 1.00 42.97 ? 2126 HOH B O 1 HETATM 8932 O O . HOH AA 5 . ? 8.496 9.187 33.384 1.00 35.13 ? 2127 HOH B O 1 HETATM 8933 O O . HOH AA 5 . ? -4.172 17.959 34.905 1.00 41.66 ? 2128 HOH B O 1 HETATM 8934 O O . HOH AA 5 . ? -6.855 18.009 38.925 1.00 33.82 ? 2129 HOH B O 1 HETATM 8935 O O . HOH AA 5 . ? -8.911 13.498 46.073 1.00 15.09 ? 2130 HOH B O 1 HETATM 8936 O O . HOH AA 5 . ? -12.680 19.435 44.225 1.00 21.50 ? 2131 HOH B O 1 HETATM 8937 O O . HOH AA 5 . ? -5.655 13.752 43.382 1.00 23.11 ? 2132 HOH B O 1 HETATM 8938 O O . HOH AA 5 . ? -5.779 16.673 41.206 1.00 21.57 ? 2133 HOH B O 1 HETATM 8939 O O . HOH AA 5 . ? -1.809 13.615 41.813 1.00 39.87 ? 2134 HOH B O 1 HETATM 8940 O O . HOH AA 5 . ? -0.509 10.834 41.797 1.00 15.19 ? 2135 HOH B O 1 HETATM 8941 O O . HOH AA 5 . ? 3.754 9.864 39.076 1.00 26.48 ? 2136 HOH B O 1 HETATM 8942 O O . HOH AA 5 . ? 2.227 10.536 41.923 1.00 19.69 ? 2137 HOH B O 1 HETATM 8943 O O . HOH AA 5 . ? 10.540 9.714 35.275 1.00 40.23 ? 2138 HOH B O 1 HETATM 8944 O O . HOH AA 5 . ? 8.882 4.245 29.947 1.00 25.02 ? 2139 HOH B O 1 HETATM 8945 O O . HOH AA 5 . ? 9.847 -2.719 28.433 1.00 44.94 ? 2140 HOH B O 1 HETATM 8946 O O . HOH AA 5 . ? 5.008 3.486 24.902 1.00 18.67 ? 2141 HOH B O 1 HETATM 8947 O O . HOH AA 5 . ? 6.551 -1.957 26.118 1.00 19.94 ? 2142 HOH B O 1 HETATM 8948 O O . HOH AA 5 . ? 13.313 -2.648 21.763 1.00 40.25 ? 2143 HOH B O 1 HETATM 8949 O O . HOH AA 5 . ? 11.800 2.381 23.406 1.00 26.90 ? 2144 HOH B O 1 HETATM 8950 O O . HOH AA 5 . ? 11.292 4.641 18.913 1.00 27.37 ? 2145 HOH B O 1 HETATM 8951 O O . HOH AA 5 . ? 8.260 -0.214 17.557 1.00 18.36 ? 2146 HOH B O 1 HETATM 8952 O O . HOH AA 5 . ? 2.834 1.785 24.926 1.00 15.41 ? 2147 HOH B O 1 HETATM 8953 O O . HOH AA 5 . ? 4.120 -4.445 23.609 1.00 23.31 ? 2148 HOH B O 1 HETATM 8954 O O . HOH AA 5 . ? 3.849 -1.666 26.013 1.00 16.73 ? 2149 HOH B O 1 HETATM 8955 O O . HOH AA 5 . ? 0.595 -5.656 25.283 1.00 24.86 ? 2150 HOH B O 1 HETATM 8956 O O . HOH AA 5 . ? -2.547 -5.034 32.010 1.00 9.30 ? 2151 HOH B O 1 HETATM 8957 O O . HOH AA 5 . ? -6.730 -2.551 37.492 1.00 28.74 ? 2152 HOH B O 1 HETATM 8958 O O . HOH AA 5 . ? -8.648 -0.086 43.014 1.00 10.96 ? 2153 HOH B O 1 HETATM 8959 O O . HOH AA 5 . ? -7.577 -3.802 40.148 1.00 18.80 ? 2154 HOH B O 1 HETATM 8960 O O . HOH AA 5 . ? -10.310 2.086 53.118 1.00 34.26 ? 2155 HOH B O 1 HETATM 8961 O O . HOH AA 5 . ? -14.600 5.458 52.821 1.00 33.38 ? 2156 HOH B O 1 HETATM 8962 O O . HOH AA 5 . ? -11.876 0.079 51.629 1.00 31.58 ? 2157 HOH B O 1 HETATM 8963 O O . HOH AA 5 . ? -1.864 2.986 39.994 1.00 14.31 ? 2158 HOH B O 1 HETATM 8964 O O . HOH AA 5 . ? -6.056 -6.237 41.974 1.00 25.67 ? 2159 HOH B O 1 HETATM 8965 O O . HOH AA 5 . ? -1.864 -2.653 42.278 1.00 15.82 ? 2160 HOH B O 1 HETATM 8966 O O . HOH AA 5 . ? -1.566 -0.656 40.487 1.00 14.73 ? 2161 HOH B O 1 HETATM 8967 O O . HOH AA 5 . ? 4.541 -7.744 30.756 1.00 44.28 ? 2162 HOH B O 1 HETATM 8968 O O . HOH AA 5 . ? 5.720 -4.412 29.931 1.00 34.55 ? 2163 HOH B O 1 HETATM 8969 O O . HOH AA 5 . ? 1.578 -9.529 37.615 1.00 32.96 ? 2164 HOH B O 1 HETATM 8970 O O . HOH AA 5 . ? 7.573 -6.205 35.692 1.00 38.58 ? 2165 HOH B O 1 HETATM 8971 O O . HOH AA 5 . ? -4.464 12.213 45.327 1.00 29.43 ? 2166 HOH B O 1 HETATM 8972 O O . HOH AA 5 . ? -14.387 13.759 47.322 1.00 28.86 ? 2167 HOH B O 1 HETATM 8973 O O . HOH AA 5 . ? -11.826 12.266 49.896 1.00 31.56 ? 2168 HOH B O 1 HETATM 8974 O O . HOH AA 5 . ? -15.562 12.160 49.064 1.00 38.26 ? 2169 HOH B O 1 HETATM 8975 O O . HOH AA 5 . ? -8.609 8.430 54.915 1.00 24.81 ? 2170 HOH B O 1 HETATM 8976 O O . HOH AA 5 . ? -8.530 10.889 51.744 1.00 35.92 ? 2171 HOH B O 1 HETATM 8977 O O . HOH AA 5 . ? -19.211 8.518 50.803 1.00 34.85 ? 2172 HOH B O 1 HETATM 8978 O O . HOH AA 5 . ? -20.215 14.915 41.614 1.00 28.47 ? 2173 HOH B O 1 HETATM 8979 O O . HOH AA 5 . ? -20.135 11.799 45.562 1.00 23.93 ? 2174 HOH B O 1 HETATM 8980 O O . HOH AA 5 . ? -21.466 11.770 42.901 1.00 28.63 ? 2175 HOH B O 1 HETATM 8981 O O . HOH AA 5 . ? -24.743 16.290 41.465 1.00 38.91 ? 2176 HOH B O 1 HETATM 8982 O O . HOH AA 5 . ? -25.051 10.216 39.734 1.00 22.42 ? 2177 HOH B O 1 HETATM 8983 O O . HOH AA 5 . ? -25.446 13.134 35.850 1.00 36.06 ? 2178 HOH B O 1 HETATM 8984 O O . HOH AA 5 . ? -25.365 7.379 29.773 1.00 31.23 ? 2179 HOH B O 1 HETATM 8985 O O . HOH AA 5 . ? -24.262 7.771 26.630 1.00 31.97 ? 2180 HOH B O 1 HETATM 8986 O O . HOH AA 5 . ? -23.230 12.354 21.949 1.00 34.01 ? 2181 HOH B O 1 HETATM 8987 O O . HOH AA 5 . ? -9.919 15.687 21.831 1.00 5.94 ? 2182 HOH B O 1 HETATM 8988 O O . HOH AA 5 . ? -11.267 18.645 24.866 1.00 7.61 ? 2183 HOH B O 1 HETATM 8989 O O . HOH AA 5 . ? -18.580 22.947 29.134 1.00 42.96 ? 2184 HOH B O 1 HETATM 8990 O O . HOH AA 5 . ? -12.361 23.019 25.076 1.00 23.50 ? 2185 HOH B O 1 HETATM 8991 O O . HOH AA 5 . ? -8.675 20.965 25.954 1.00 11.07 ? 2186 HOH B O 1 HETATM 8992 O O . HOH AA 5 . ? -20.842 20.470 23.334 1.00 33.56 ? 2187 HOH B O 1 HETATM 8993 O O . HOH AA 5 . ? -22.428 20.253 28.029 1.00 18.74 ? 2188 HOH B O 1 HETATM 8994 O O . HOH AA 5 . ? -27.079 10.582 27.248 1.00 43.61 ? 2189 HOH B O 1 HETATM 8995 O O . HOH AA 5 . ? -27.796 13.732 31.925 1.00 37.03 ? 2190 HOH B O 1 HETATM 8996 O O . HOH AA 5 . ? -19.901 16.229 19.719 1.00 32.25 ? 2191 HOH B O 1 HETATM 8997 O O . HOH AA 5 . ? -18.933 20.399 20.817 1.00 26.98 ? 2192 HOH B O 1 HETATM 8998 O O . HOH AA 5 . ? -15.931 19.636 19.619 1.00 16.50 ? 2193 HOH B O 1 HETATM 8999 O O . HOH AA 5 . ? -10.535 22.630 20.257 1.00 18.61 ? 2194 HOH B O 1 HETATM 9000 O O . HOH AA 5 . ? -5.271 22.678 24.213 1.00 35.86 ? 2195 HOH B O 1 HETATM 9001 O O . HOH AA 5 . ? -8.763 21.634 18.418 1.00 13.62 ? 2196 HOH B O 1 HETATM 9002 O O . HOH AA 5 . ? -3.899 20.700 16.847 1.00 27.45 ? 2197 HOH B O 1 HETATM 9003 O O . HOH AA 5 . ? -0.877 17.853 23.358 1.00 28.22 ? 2198 HOH B O 1 HETATM 9004 O O . HOH AA 5 . ? -3.242 20.021 24.553 1.00 41.98 ? 2199 HOH B O 1 HETATM 9005 O O . HOH AA 5 . ? -4.897 -3.968 13.560 1.00 10.30 ? 2200 HOH B O 1 HETATM 9006 O O . HOH AA 5 . ? -1.419 -2.301 13.208 1.00 9.30 ? 2201 HOH B O 1 HETATM 9007 O O . HOH AA 5 . ? -12.153 -9.465 22.578 1.00 34.14 ? 2202 HOH B O 1 HETATM 9008 O O . HOH AA 5 . ? -7.479 -10.571 22.108 1.00 31.87 ? 2203 HOH B O 1 HETATM 9009 O O . HOH AA 5 . ? -10.316 -10.194 24.957 1.00 24.57 ? 2204 HOH B O 1 HETATM 9010 O O . HOH AA 5 . ? -18.422 -6.378 38.043 1.00 19.44 ? 2205 HOH B O 1 HETATM 9011 O O . HOH AA 5 . ? -20.796 -6.179 40.668 1.00 32.16 ? 2206 HOH B O 1 HETATM 9012 O O . HOH AA 5 . ? -10.397 -7.262 44.306 1.00 41.73 ? 2207 HOH B O 1 HETATM 9013 O O . HOH AA 5 . ? -5.282 -15.597 35.615 1.00 25.06 ? 2208 HOH B O 1 HETATM 9014 O O . HOH AA 5 . ? -9.415 -15.124 36.249 1.00 26.61 ? 2209 HOH B O 1 HETATM 9015 O O . HOH AA 5 . ? -11.168 -10.161 33.334 1.00 15.62 ? 2210 HOH B O 1 HETATM 9016 O O . HOH AA 5 . ? -13.020 -15.169 38.805 1.00 30.54 ? 2211 HOH B O 1 HETATM 9017 O O . HOH AA 5 . ? -5.746 -17.085 29.877 1.00 42.97 ? 2212 HOH B O 1 HETATM 9018 O O . HOH AA 5 . ? -9.650 -12.170 23.272 1.00 43.52 ? 2213 HOH B O 1 HETATM 9019 O O . HOH AA 5 . ? -12.249 -15.862 32.040 1.00 39.10 ? 2214 HOH B O 1 HETATM 9020 O O . HOH AA 5 . ? -13.058 -14.868 27.634 1.00 39.20 ? 2215 HOH B O 1 HETATM 9021 O O . HOH AA 5 . ? -19.796 -8.612 34.764 1.00 28.70 ? 2216 HOH B O 1 HETATM 9022 O O . HOH AA 5 . ? -17.475 -10.836 36.711 1.00 38.35 ? 2217 HOH B O 1 HETATM 9023 O O . HOH AA 5 . ? -22.107 -4.395 28.852 1.00 34.20 ? 2218 HOH B O 1 HETATM 9024 O O . HOH AA 5 . ? -21.292 -9.091 29.162 1.00 30.90 ? 2219 HOH B O 1 HETATM 9025 O O . HOH AA 5 . ? -21.952 -9.483 32.069 1.00 41.25 ? 2220 HOH B O 1 HETATM 9026 O O . HOH AA 5 . ? -22.534 -7.318 39.213 1.00 49.13 ? 2221 HOH B O 1 HETATM 9027 O O . HOH AA 5 . ? -24.382 -6.880 36.436 1.00 31.92 ? 2222 HOH B O 1 HETATM 9028 O O . HOH AA 5 . ? -24.790 -5.712 31.725 1.00 25.23 ? 2223 HOH B O 1 HETATM 9029 O O . HOH AA 5 . ? -21.418 -3.374 26.340 1.00 11.80 ? 2224 HOH B O 1 HETATM 9030 O O . HOH AA 5 . ? -17.297 -11.110 27.151 1.00 24.60 ? 2225 HOH B O 1 HETATM 9031 O O . HOH AA 5 . ? -23.120 -9.262 20.731 1.00 28.92 ? 2226 HOH B O 1 HETATM 9032 O O . HOH AA 5 . ? -26.584 2.833 19.295 1.00 47.29 ? 2227 HOH B O 1 HETATM 9033 O O . HOH AA 5 . ? -23.342 1.843 15.432 1.00 29.38 ? 2228 HOH B O 1 HETATM 9034 O O . HOH AA 5 . ? -19.937 -0.384 12.419 1.00 37.52 ? 2229 HOH B O 1 HETATM 9035 O O . HOH AA 5 . ? -21.758 3.616 13.997 1.00 18.18 ? 2230 HOH B O 1 HETATM 9036 O O . HOH AA 5 . ? -21.778 5.718 12.234 1.00 37.59 ? 2231 HOH B O 1 HETATM 9037 O O . HOH AA 5 . ? -18.590 8.131 9.890 1.00 22.95 ? 2232 HOH B O 1 HETATM 9038 O O . HOH AA 5 . ? -20.058 10.855 11.153 1.00 32.45 ? 2233 HOH B O 1 HETATM 9039 O O . HOH AA 5 . ? -15.516 6.192 8.900 1.00 37.63 ? 2234 HOH B O 1 HETATM 9040 O O . HOH AA 5 . ? -8.672 9.125 4.483 1.00 16.60 ? 2235 HOH B O 1 HETATM 9041 O O . HOH AA 5 . ? -16.411 2.915 9.696 1.00 22.82 ? 2236 HOH B O 1 HETATM 9042 O O . HOH AA 5 . ? -15.463 0.424 9.511 1.00 15.53 ? 2237 HOH B O 1 HETATM 9043 O O . HOH AA 5 . ? -13.174 -5.672 10.190 1.00 32.61 ? 2238 HOH B O 1 HETATM 9044 O O . HOH AA 5 . ? -14.376 -1.634 8.125 1.00 41.55 ? 2239 HOH B O 1 HETATM 9045 O O . HOH AA 5 . ? -11.456 -4.181 3.769 1.00 39.18 ? 2240 HOH B O 1 HETATM 9046 O O . HOH AA 5 . ? -7.670 -4.593 5.174 1.00 27.72 ? 2241 HOH B O 1 HETATM 9047 O O . HOH AA 5 . ? -6.573 -10.745 16.724 1.00 36.46 ? 2242 HOH B O 1 HETATM 9048 O O . HOH AA 5 . ? -3.342 -10.096 16.814 1.00 34.10 ? 2243 HOH B O 1 HETATM 9049 O O . HOH AA 5 . ? 1.811 -9.151 15.287 1.00 30.77 ? 2244 HOH B O 1 HETATM 9050 O O . HOH AA 5 . ? -0.871 -10.527 12.725 1.00 23.24 ? 2245 HOH B O 1 HETATM 9051 O O . HOH AA 5 . ? 1.221 -7.118 21.231 1.00 32.33 ? 2246 HOH B O 1 HETATM 9052 O O . HOH AA 5 . ? 2.874 -6.848 17.218 1.00 28.65 ? 2247 HOH B O 1 HETATM 9053 O O . HOH AA 5 . ? -6.904 21.772 28.362 1.00 34.16 ? 2248 HOH B O 1 HETATM 9054 O O . HOH BA 5 . ? 14.781 -10.516 -21.154 1.00 48.23 ? 2001 HOH C O 1 HETATM 9055 O O . HOH BA 5 . ? 14.118 -13.055 -20.292 1.00 22.31 ? 2002 HOH C O 1 HETATM 9056 O O . HOH BA 5 . ? 6.373 -5.204 -17.561 1.00 26.42 ? 2003 HOH C O 1 HETATM 9057 O O . HOH BA 5 . ? 5.012 -3.699 -19.836 1.00 40.65 ? 2004 HOH C O 1 HETATM 9058 O O . HOH BA 5 . ? 19.286 -13.900 -15.333 1.00 40.45 ? 2005 HOH C O 1 HETATM 9059 O O . HOH BA 5 . ? 17.296 -14.935 -1.275 1.00 55.94 ? 2006 HOH C O 1 HETATM 9060 O O . HOH BA 5 . ? 16.469 -14.367 -15.543 1.00 15.97 ? 2007 HOH C O 1 HETATM 9061 O O . HOH BA 5 . ? 18.407 -14.971 -10.081 1.00 16.79 ? 2008 HOH C O 1 HETATM 9062 O O . HOH BA 5 . ? 19.277 -12.848 -12.889 1.00 32.34 ? 2009 HOH C O 1 HETATM 9063 O O . HOH BA 5 . ? 11.020 -18.335 -10.452 1.00 33.19 ? 2010 HOH C O 1 HETATM 9064 O O . HOH BA 5 . ? 20.779 -15.886 -7.294 1.00 29.97 ? 2011 HOH C O 1 HETATM 9065 O O . HOH BA 5 . ? 26.793 7.749 0.616 1.00 17.05 ? 2012 HOH C O 1 HETATM 9066 O O . HOH BA 5 . ? 31.130 8.734 -5.707 1.00 27.37 ? 2013 HOH C O 1 HETATM 9067 O O . HOH BA 5 . ? 22.661 15.718 1.161 1.00 37.28 ? 2014 HOH C O 1 HETATM 9068 O O . HOH BA 5 . ? 25.718 14.524 -12.153 1.00 31.14 ? 2015 HOH C O 1 HETATM 9069 O O . HOH BA 5 . ? 19.088 11.519 -15.163 1.00 43.28 ? 2016 HOH C O 1 HETATM 9070 O O . HOH BA 5 . ? 22.039 15.847 5.112 1.00 43.63 ? 2017 HOH C O 1 HETATM 9071 O O . HOH BA 5 . ? 16.106 -13.053 -3.152 1.00 24.26 ? 2018 HOH C O 1 HETATM 9072 O O . HOH BA 5 . ? 22.243 -15.066 -3.132 1.00 35.50 ? 2019 HOH C O 1 HETATM 9073 O O . HOH BA 5 . ? 22.840 -14.986 -6.104 1.00 39.31 ? 2020 HOH C O 1 HETATM 9074 O O . HOH BA 5 . ? 16.847 -9.960 -3.240 1.00 16.95 ? 2021 HOH C O 1 HETATM 9075 O O . HOH BA 5 . ? 23.058 -15.770 -11.829 1.00 36.66 ? 2022 HOH C O 1 HETATM 9076 O O . HOH BA 5 . ? 23.664 -11.064 -12.121 1.00 31.49 ? 2023 HOH C O 1 HETATM 9077 O O . HOH BA 5 . ? 24.447 4.625 -7.003 1.00 14.35 ? 2024 HOH C O 1 HETATM 9078 O O . HOH BA 5 . ? 29.836 5.617 -2.098 1.00 13.98 ? 2025 HOH C O 1 HETATM 9079 O O . HOH BA 5 . ? 22.745 7.749 -6.333 1.00 11.78 ? 2026 HOH C O 1 HETATM 9080 O O . HOH BA 5 . ? 27.882 10.834 -8.373 1.00 31.24 ? 2027 HOH C O 1 HETATM 9081 O O . HOH BA 5 . ? 26.796 10.899 -10.854 1.00 31.87 ? 2028 HOH C O 1 HETATM 9082 O O . HOH BA 5 . ? -8.718 -7.499 -3.130 1.00 30.80 ? 2029 HOH C O 1 HETATM 9083 O O . HOH BA 5 . ? 28.261 8.054 -1.695 1.00 16.00 ? 2030 HOH C O 1 HETATM 9084 O O . HOH BA 5 . ? 29.116 10.238 -4.819 1.00 27.45 ? 2031 HOH C O 1 HETATM 9085 O O . HOH BA 5 . ? 24.330 13.827 1.572 1.00 35.47 ? 2032 HOH C O 1 HETATM 9086 O O . HOH BA 5 . ? 26.116 10.129 1.465 1.00 29.27 ? 2033 HOH C O 1 HETATM 9087 O O . HOH BA 5 . ? 25.399 12.976 -9.816 1.00 20.88 ? 2034 HOH C O 1 HETATM 9088 O O . HOH BA 5 . ? 19.543 13.475 -13.318 1.00 28.76 ? 2035 HOH C O 1 HETATM 9089 O O . HOH BA 5 . ? 23.881 12.867 7.040 1.00 40.57 ? 2036 HOH C O 1 HETATM 9090 O O . HOH BA 5 . ? 20.736 6.993 14.053 1.00 30.74 ? 2037 HOH C O 1 HETATM 9091 O O . HOH BA 5 . ? 21.075 8.765 -15.492 1.00 30.42 ? 2038 HOH C O 1 HETATM 9092 O O . HOH BA 5 . ? 19.647 15.362 6.981 1.00 40.33 ? 2039 HOH C O 1 HETATM 9093 O O . HOH BA 5 . ? 20.814 6.019 -6.221 1.00 9.56 ? 2040 HOH C O 1 HETATM 9094 O O . HOH BA 5 . ? 15.309 7.147 -17.033 1.00 16.95 ? 2041 HOH C O 1 HETATM 9095 O O . HOH BA 5 . ? -3.653 17.978 -11.612 1.00 35.48 ? 2042 HOH C O 1 HETATM 9096 O O . HOH BA 5 . ? -7.629 13.812 -8.393 1.00 27.68 ? 2043 HOH C O 1 HETATM 9097 O O . HOH BA 5 . ? 12.234 7.219 -15.464 1.00 24.91 ? 2044 HOH C O 1 HETATM 9098 O O . HOH BA 5 . ? 10.479 5.107 -14.748 1.00 28.36 ? 2045 HOH C O 1 HETATM 9099 O O . HOH BA 5 . ? 8.617 3.090 -15.002 1.00 16.60 ? 2046 HOH C O 1 HETATM 9100 O O . HOH BA 5 . ? 8.407 -5.546 -13.950 1.00 17.22 ? 2047 HOH C O 1 HETATM 9101 O O . HOH BA 5 . ? 5.288 0.911 -16.897 1.00 35.85 ? 2048 HOH C O 1 HETATM 9102 O O . HOH BA 5 . ? -9.608 1.113 -11.282 1.00 39.52 ? 2049 HOH C O 1 HETATM 9103 O O . HOH BA 5 . ? -7.774 -1.192 -8.855 1.00 29.55 ? 2050 HOH C O 1 HETATM 9104 O O . HOH BA 5 . ? 3.049 12.384 11.499 1.00 30.92 ? 2051 HOH C O 1 HETATM 9105 O O . HOH BA 5 . ? 5.373 11.788 12.523 1.00 31.06 ? 2052 HOH C O 1 HETATM 9106 O O . HOH BA 5 . ? -6.345 -2.292 -6.964 1.00 18.10 ? 2053 HOH C O 1 HETATM 9107 O O . HOH BA 5 . ? -12.403 0.151 -3.993 1.00 32.49 ? 2054 HOH C O 1 HETATM 9108 O O . HOH BA 5 . ? 14.694 -4.264 14.903 1.00 51.84 ? 2055 HOH C O 1 HETATM 9109 O O . HOH BA 5 . ? 18.131 -5.658 12.957 1.00 35.27 ? 2056 HOH C O 1 HETATM 9110 O O . HOH BA 5 . ? -10.675 -0.282 -1.540 1.00 13.65 ? 2057 HOH C O 1 HETATM 9111 O O . HOH BA 5 . ? -7.851 -5.631 -4.902 1.00 21.82 ? 2058 HOH C O 1 HETATM 9112 O O . HOH BA 5 . ? 21.189 -5.328 13.568 1.00 41.76 ? 2059 HOH C O 1 HETATM 9113 O O . HOH BA 5 . ? 9.597 -9.236 -0.041 1.00 11.69 ? 2060 HOH C O 1 HETATM 9114 O O . HOH BA 5 . ? -15.161 7.545 0.331 1.00 33.28 ? 2061 HOH C O 1 HETATM 9115 O O . HOH BA 5 . ? -5.710 -7.707 8.373 1.00 35.27 ? 2062 HOH C O 1 HETATM 9116 O O . HOH BA 5 . ? 15.691 -7.985 5.013 1.00 27.26 ? 2063 HOH C O 1 HETATM 9117 O O . HOH BA 5 . ? 10.664 -11.776 0.070 1.00 21.22 ? 2064 HOH C O 1 HETATM 9118 O O . HOH BA 5 . ? 18.603 -0.198 5.891 1.00 9.47 ? 2065 HOH C O 1 HETATM 9119 O O . HOH BA 5 . ? 24.137 -7.350 7.683 1.00 26.41 ? 2066 HOH C O 1 HETATM 9120 O O . HOH BA 5 . ? 23.588 -6.181 9.725 1.00 32.49 ? 2067 HOH C O 1 HETATM 9121 O O . HOH BA 5 . ? 26.006 -2.507 9.180 1.00 11.68 ? 2068 HOH C O 1 HETATM 9122 O O . HOH BA 5 . ? 19.851 1.042 8.162 1.00 12.39 ? 2069 HOH C O 1 HETATM 9123 O O . HOH BA 5 . ? 19.392 4.048 6.441 1.00 12.82 ? 2070 HOH C O 1 HETATM 9124 O O . HOH BA 5 . ? 24.119 3.356 2.333 1.00 9.20 ? 2071 HOH C O 1 HETATM 9125 O O . HOH BA 5 . ? -10.695 11.746 -3.910 1.00 40.96 ? 2072 HOH C O 1 HETATM 9126 O O . HOH BA 5 . ? 24.783 7.740 8.165 1.00 24.35 ? 2073 HOH C O 1 HETATM 9127 O O . HOH BA 5 . ? 26.443 6.594 4.838 1.00 16.52 ? 2074 HOH C O 1 HETATM 9128 O O . HOH BA 5 . ? 25.604 5.651 2.264 1.00 14.54 ? 2075 HOH C O 1 HETATM 9129 O O . HOH BA 5 . ? 27.022 -0.446 6.340 1.00 8.73 ? 2076 HOH C O 1 HETATM 9130 O O . HOH BA 5 . ? -15.163 10.967 7.404 1.00 40.56 ? 2077 HOH C O 1 HETATM 9131 O O . HOH BA 5 . ? -15.984 5.214 -6.278 1.00 41.10 ? 2078 HOH C O 1 HETATM 9132 O O . HOH BA 5 . ? 18.968 6.169 9.080 1.00 24.70 ? 2079 HOH C O 1 HETATM 9133 O O . HOH BA 5 . ? 23.560 10.484 5.639 1.00 9.94 ? 2080 HOH C O 1 HETATM 9134 O O . HOH BA 5 . ? 18.298 9.320 10.609 1.00 15.33 ? 2081 HOH C O 1 HETATM 9135 O O . HOH BA 5 . ? 17.170 12.323 8.359 1.00 17.22 ? 2082 HOH C O 1 HETATM 9136 O O . HOH BA 5 . ? 20.361 7.391 11.091 1.00 22.93 ? 2083 HOH C O 1 HETATM 9137 O O . HOH BA 5 . ? 21.124 13.656 8.646 1.00 37.65 ? 2084 HOH C O 1 HETATM 9138 O O . HOH BA 5 . ? 16.378 8.528 6.599 1.00 14.36 ? 2085 HOH C O 1 HETATM 9139 O O . HOH BA 5 . ? 11.630 9.351 -18.772 1.00 40.54 ? 2086 HOH C O 1 HETATM 9140 O O . HOH BA 5 . ? 17.516 14.812 5.328 1.00 26.85 ? 2087 HOH C O 1 HETATM 9141 O O . HOH BA 5 . ? 16.481 1.254 4.556 1.00 15.45 ? 2088 HOH C O 1 HETATM 9142 O O . HOH BA 5 . ? 15.839 7.615 -3.826 1.00 22.76 ? 2089 HOH C O 1 HETATM 9143 O O . HOH BA 5 . ? 14.896 3.935 -3.914 1.00 10.49 ? 2090 HOH C O 1 HETATM 9144 O O . HOH BA 5 . ? 12.836 5.932 -5.071 1.00 8.82 ? 2091 HOH C O 1 HETATM 9145 O O . HOH BA 5 . ? 23.285 17.493 -7.802 1.00 31.87 ? 2092 HOH C O 1 HETATM 9146 O O . HOH BA 5 . ? 7.665 10.132 -6.176 1.00 9.31 ? 2093 HOH C O 1 HETATM 9147 O O . HOH BA 5 . ? 20.514 16.135 3.142 1.00 38.31 ? 2094 HOH C O 1 HETATM 9148 O O . HOH BA 5 . ? 5.029 13.882 -12.373 1.00 17.81 ? 2095 HOH C O 1 HETATM 9149 O O . HOH BA 5 . ? -1.721 11.462 -14.165 1.00 22.44 ? 2096 HOH C O 1 HETATM 9150 O O . HOH BA 5 . ? 0.666 8.890 -16.563 1.00 15.65 ? 2097 HOH C O 1 HETATM 9151 O O . HOH BA 5 . ? -2.503 15.219 -14.582 1.00 31.75 ? 2098 HOH C O 1 HETATM 9152 O O . HOH BA 5 . ? 0.614 17.064 -17.648 1.00 33.94 ? 2099 HOH C O 1 HETATM 9153 O O . HOH BA 5 . ? 4.597 15.264 -14.835 1.00 21.76 ? 2100 HOH C O 1 HETATM 9154 O O . HOH BA 5 . ? -1.456 17.373 -10.442 1.00 22.36 ? 2101 HOH C O 1 HETATM 9155 O O . HOH BA 5 . ? -6.035 11.757 -9.423 1.00 21.45 ? 2102 HOH C O 1 HETATM 9156 O O . HOH BA 5 . ? -3.874 15.580 -12.385 1.00 27.12 ? 2103 HOH C O 1 HETATM 9157 O O . HOH BA 5 . ? -4.013 -13.269 10.532 1.00 37.70 ? 2104 HOH C O 1 HETATM 9158 O O . HOH BA 5 . ? 4.426 16.676 -11.598 1.00 27.61 ? 2105 HOH C O 1 HETATM 9159 O O . HOH BA 5 . ? -0.035 13.446 -6.892 1.00 9.27 ? 2106 HOH C O 1 HETATM 9160 O O . HOH BA 5 . ? 7.147 18.210 -4.775 1.00 31.96 ? 2107 HOH C O 1 HETATM 9161 O O . HOH BA 5 . ? 10.323 -18.344 11.473 1.00 48.62 ? 2108 HOH C O 1 HETATM 9162 O O . HOH BA 5 . ? 3.619 15.703 -1.523 1.00 12.41 ? 2109 HOH C O 1 HETATM 9163 O O . HOH BA 5 . ? 9.652 9.085 7.152 1.00 15.06 ? 2110 HOH C O 1 HETATM 9164 O O . HOH BA 5 . ? 13.144 15.179 3.362 1.00 23.16 ? 2111 HOH C O 1 HETATM 9165 O O . HOH BA 5 . ? 14.139 16.794 0.996 1.00 34.59 ? 2112 HOH C O 1 HETATM 9166 O O . HOH BA 5 . ? 23.763 -6.845 -14.923 1.00 33.36 ? 2113 HOH C O 1 HETATM 9167 O O . HOH BA 5 . ? 21.486 -3.626 -17.452 1.00 31.55 ? 2114 HOH C O 1 HETATM 9168 O O . HOH BA 5 . ? 18.024 3.670 8.598 1.00 31.27 ? 2115 HOH C O 1 HETATM 9169 O O . HOH BA 5 . ? 15.339 1.414 7.139 1.00 16.69 ? 2116 HOH C O 1 HETATM 9170 O O . HOH BA 5 . ? 16.822 6.202 7.931 1.00 21.19 ? 2117 HOH C O 1 HETATM 9171 O O . HOH BA 5 . ? 8.190 11.975 5.014 1.00 19.18 ? 2118 HOH C O 1 HETATM 9172 O O . HOH BA 5 . ? 28.105 -6.080 -13.099 1.00 32.63 ? 2119 HOH C O 1 HETATM 9173 O O . HOH BA 5 . ? 16.006 14.052 12.411 1.00 34.96 ? 2120 HOH C O 1 HETATM 9174 O O . HOH BA 5 . ? 9.238 11.037 9.082 1.00 24.55 ? 2121 HOH C O 1 HETATM 9175 O O . HOH BA 5 . ? 28.629 -12.598 -3.042 1.00 33.00 ? 2122 HOH C O 1 HETATM 9176 O O . HOH BA 5 . ? 14.852 9.504 14.239 1.00 36.18 ? 2123 HOH C O 1 HETATM 9177 O O . HOH BA 5 . ? -17.131 -6.218 -1.159 1.00 52.02 ? 2124 HOH C O 1 HETATM 9178 O O . HOH BA 5 . ? 10.702 5.980 15.920 1.00 27.96 ? 2125 HOH C O 1 HETATM 9179 O O . HOH BA 5 . ? 14.731 -1.129 10.195 1.00 29.06 ? 2126 HOH C O 1 HETATM 9180 O O . HOH BA 5 . ? -3.605 16.065 -4.586 1.00 25.45 ? 2127 HOH C O 1 HETATM 9181 O O . HOH BA 5 . ? 2.137 15.784 2.265 1.00 16.98 ? 2128 HOH C O 1 HETATM 9182 O O . HOH BA 5 . ? -3.028 15.284 4.354 1.00 23.33 ? 2129 HOH C O 1 HETATM 9183 O O . HOH BA 5 . ? -0.249 15.187 4.215 1.00 14.23 ? 2130 HOH C O 1 HETATM 9184 O O . HOH BA 5 . ? -2.622 12.614 4.990 1.00 14.96 ? 2131 HOH C O 1 HETATM 9185 O O . HOH BA 5 . ? 0.168 12.632 8.401 1.00 22.02 ? 2132 HOH C O 1 HETATM 9186 O O . HOH BA 5 . ? 6.880 12.849 8.705 1.00 31.97 ? 2133 HOH C O 1 HETATM 9187 O O . HOH BA 5 . ? 0.249 10.082 9.740 1.00 16.68 ? 2134 HOH C O 1 HETATM 9188 O O . HOH BA 5 . ? 0.965 10.078 12.246 1.00 21.20 ? 2135 HOH C O 1 HETATM 9189 O O . HOH BA 5 . ? 4.200 9.484 13.051 1.00 23.17 ? 2136 HOH C O 1 HETATM 9190 O O . HOH BA 5 . ? 2.972 12.671 8.718 1.00 33.20 ? 2137 HOH C O 1 HETATM 9191 O O . HOH BA 5 . ? 5.461 13.219 14.988 1.00 47.47 ? 2138 HOH C O 1 HETATM 9192 O O . HOH BA 5 . ? 14.002 3.471 15.695 1.00 29.45 ? 2139 HOH C O 1 HETATM 9193 O O . HOH BA 5 . ? 12.494 -3.243 13.524 1.00 31.35 ? 2140 HOH C O 1 HETATM 9194 O O . HOH BA 5 . ? 17.670 1.638 10.557 1.00 19.84 ? 2141 HOH C O 1 HETATM 9195 O O . HOH BA 5 . ? 19.585 5.236 15.632 1.00 34.27 ? 2142 HOH C O 1 HETATM 9196 O O . HOH BA 5 . ? 16.570 -3.458 13.207 1.00 17.80 ? 2143 HOH C O 1 HETATM 9197 O O . HOH BA 5 . ? 21.086 1.007 16.643 1.00 23.72 ? 2144 HOH C O 1 HETATM 9198 O O . HOH BA 5 . ? 25.380 2.799 14.507 1.00 25.80 ? 2145 HOH C O 1 HETATM 9199 O O . HOH BA 5 . ? 22.734 -4.368 12.010 1.00 33.75 ? 2146 HOH C O 1 HETATM 9200 O O . HOH BA 5 . ? 25.293 -2.705 11.792 1.00 19.14 ? 2147 HOH C O 1 HETATM 9201 O O . HOH BA 5 . ? 16.786 -0.279 8.915 1.00 17.77 ? 2148 HOH C O 1 HETATM 9202 O O . HOH BA 5 . ? 17.774 -6.452 10.462 1.00 25.80 ? 2149 HOH C O 1 HETATM 9203 O O . HOH BA 5 . ? 15.742 -3.501 10.559 1.00 14.51 ? 2150 HOH C O 1 HETATM 9204 O O . HOH BA 5 . ? 15.071 -7.902 7.848 1.00 24.36 ? 2151 HOH C O 1 HETATM 9205 O O . HOH BA 5 . ? 7.753 -6.795 6.964 1.00 7.60 ? 2152 HOH C O 1 HETATM 9206 O O . HOH BA 5 . ? 1.417 -4.254 4.224 1.00 30.13 ? 2153 HOH C O 1 HETATM 9207 O O . HOH BA 5 . ? -4.254 -1.300 3.948 1.00 9.51 ? 2154 HOH C O 1 HETATM 9208 O O . HOH BA 5 . ? -1.429 -5.236 4.581 1.00 16.21 ? 2155 HOH C O 1 HETATM 9209 O O . HOH BA 5 . ? -12.749 3.419 -2.978 1.00 23.66 ? 2156 HOH C O 1 HETATM 9210 O O . HOH BA 5 . ? -14.175 1.560 5.203 1.00 34.93 ? 2157 HOH C O 1 HETATM 9211 O O . HOH BA 5 . ? -15.083 4.627 0.759 1.00 36.01 ? 2158 HOH C O 1 HETATM 9212 O O . HOH BA 5 . ? -13.339 -0.799 3.487 1.00 33.43 ? 2159 HOH C O 1 HETATM 9213 O O . HOH BA 5 . ? 0.938 2.069 9.016 1.00 11.65 ? 2160 HOH C O 1 HETATM 9214 O O . HOH BA 5 . ? -3.137 -7.107 6.746 1.00 22.56 ? 2161 HOH C O 1 HETATM 9215 O O . HOH BA 5 . ? -1.587 -3.268 10.551 1.00 13.14 ? 2162 HOH C O 1 HETATM 9216 O O . HOH BA 5 . ? -5.947 -2.545 5.673 1.00 15.05 ? 2163 HOH C O 1 HETATM 9217 O O . HOH BA 5 . ? -5.748 -5.107 9.317 1.00 30.60 ? 2164 HOH C O 1 HETATM 9218 O O . HOH BA 5 . ? 0.331 -1.433 9.941 1.00 12.87 ? 2165 HOH C O 1 HETATM 9219 O O . HOH BA 5 . ? 8.783 -10.808 12.821 1.00 32.06 ? 2166 HOH C O 1 HETATM 9220 O O . HOH BA 5 . ? 10.192 -7.463 13.808 1.00 32.57 ? 2167 HOH C O 1 HETATM 9221 O O . HOH BA 5 . ? 12.382 -5.496 13.831 1.00 31.16 ? 2168 HOH C O 1 HETATM 9222 O O . HOH BA 5 . ? 3.762 -10.203 13.315 1.00 25.40 ? 2169 HOH C O 1 HETATM 9223 O O . HOH BA 5 . ? -4.345 11.544 6.950 1.00 23.87 ? 2170 HOH C O 1 HETATM 9224 O O . HOH BA 5 . ? -6.112 12.590 2.964 1.00 25.35 ? 2171 HOH C O 1 HETATM 9225 O O . HOH BA 5 . ? -8.981 11.966 -1.424 1.00 25.80 ? 2172 HOH C O 1 HETATM 9226 O O . HOH BA 5 . ? -10.383 14.565 -4.784 1.00 31.73 ? 2173 HOH C O 1 HETATM 9227 O O . HOH BA 5 . ? -10.151 11.569 0.391 1.00 29.35 ? 2174 HOH C O 1 HETATM 9228 O O . HOH BA 5 . ? -12.442 10.708 -2.134 1.00 35.81 ? 2175 HOH C O 1 HETATM 9229 O O . HOH BA 5 . ? -14.992 8.241 6.838 1.00 29.06 ? 2176 HOH C O 1 HETATM 9230 O O . HOH BA 5 . ? -11.795 10.198 5.089 1.00 32.74 ? 2177 HOH C O 1 HETATM 9231 O O . HOH BA 5 . ? -15.716 5.495 6.419 1.00 35.52 ? 2178 HOH C O 1 HETATM 9232 O O . HOH BA 5 . ? -14.363 6.139 -4.502 1.00 39.46 ? 2179 HOH C O 1 HETATM 9233 O O . HOH BA 5 . ? -9.711 9.442 -7.511 1.00 21.32 ? 2180 HOH C O 1 HETATM 9234 O O . HOH BA 5 . ? -7.579 9.432 -9.288 1.00 22.19 ? 2181 HOH C O 1 HETATM 9235 O O . HOH BA 5 . ? -4.245 12.635 -14.199 1.00 38.65 ? 2182 HOH C O 1 HETATM 9236 O O . HOH BA 5 . ? -1.973 9.099 -15.829 1.00 35.82 ? 2183 HOH C O 1 HETATM 9237 O O . HOH BA 5 . ? 0.987 9.143 -19.382 1.00 34.44 ? 2184 HOH C O 1 HETATM 9238 O O . HOH BA 5 . ? 6.784 3.040 -16.923 1.00 31.87 ? 2185 HOH C O 1 HETATM 9239 O O . HOH BA 5 . ? 11.593 7.023 -18.159 1.00 33.28 ? 2186 HOH C O 1 HETATM 9240 O O . HOH BA 5 . ? 16.497 11.824 -6.028 1.00 8.13 ? 2187 HOH C O 1 HETATM 9241 O O . HOH BA 5 . ? 13.429 14.907 -6.775 1.00 10.26 ? 2188 HOH C O 1 HETATM 9242 O O . HOH BA 5 . ? 9.857 19.144 -5.101 1.00 39.62 ? 2189 HOH C O 1 HETATM 9243 O O . HOH BA 5 . ? 13.320 18.993 -8.273 1.00 22.76 ? 2190 HOH C O 1 HETATM 9244 O O . HOH BA 5 . ? 13.862 19.885 -5.827 1.00 41.59 ? 2191 HOH C O 1 HETATM 9245 O O . HOH BA 5 . ? 13.475 17.524 -4.340 1.00 14.00 ? 2192 HOH C O 1 HETATM 9246 O O . HOH BA 5 . ? 11.940 15.236 -16.454 1.00 31.53 ? 2193 HOH C O 1 HETATM 9247 O O . HOH BA 5 . ? 6.878 15.583 -16.389 1.00 22.34 ? 2194 HOH C O 1 HETATM 9248 O O . HOH BA 5 . ? 8.252 12.507 -19.203 1.00 42.31 ? 2195 HOH C O 1 HETATM 9249 O O . HOH BA 5 . ? 15.213 11.070 -16.045 1.00 36.06 ? 2196 HOH C O 1 HETATM 9250 O O . HOH BA 5 . ? 15.054 15.489 -15.255 1.00 33.66 ? 2197 HOH C O 1 HETATM 9251 O O . HOH BA 5 . ? 17.029 14.661 -12.987 1.00 18.43 ? 2198 HOH C O 1 HETATM 9252 O O . HOH BA 5 . ? 17.554 16.817 -11.481 1.00 32.46 ? 2199 HOH C O 1 HETATM 9253 O O . HOH BA 5 . ? 20.482 17.409 -6.744 1.00 20.07 ? 2200 HOH C O 1 HETATM 9254 O O . HOH BA 5 . ? 25.299 15.654 -8.140 1.00 45.81 ? 2201 HOH C O 1 HETATM 9255 O O . HOH BA 5 . ? 18.024 15.033 2.567 1.00 30.19 ? 2202 HOH C O 1 HETATM 9256 O O . HOH BA 5 . ? 24.396 -8.137 -1.116 1.00 12.05 ? 2203 HOH C O 1 HETATM 9257 O O . HOH BA 5 . ? 26.126 -6.115 1.635 1.00 10.06 ? 2204 HOH C O 1 HETATM 9258 O O . HOH BA 5 . ? 11.615 -13.383 -1.741 1.00 22.15 ? 2205 HOH C O 1 HETATM 9259 O O . HOH BA 5 . ? 12.981 -13.009 -4.445 1.00 30.40 ? 2206 HOH C O 1 HETATM 9260 O O . HOH BA 5 . ? 14.893 -13.732 0.127 1.00 32.14 ? 2207 HOH C O 1 HETATM 9261 O O . HOH BA 5 . ? -3.132 -9.177 -5.631 1.00 17.44 ? 2208 HOH C O 1 HETATM 9262 O O . HOH BA 5 . ? -6.761 -9.158 -6.624 1.00 38.96 ? 2209 HOH C O 1 HETATM 9263 O O . HOH BA 5 . ? -6.137 -9.016 -10.441 1.00 37.57 ? 2210 HOH C O 1 HETATM 9264 O O . HOH BA 5 . ? -4.576 -10.046 -0.859 1.00 24.30 ? 2211 HOH C O 1 HETATM 9265 O O . HOH BA 5 . ? -7.562 -6.088 -1.266 1.00 17.53 ? 2212 HOH C O 1 HETATM 9266 O O . HOH BA 5 . ? -6.412 -8.557 3.494 1.00 29.05 ? 2213 HOH C O 1 HETATM 9267 O O . HOH BA 5 . ? -3.543 -13.616 7.750 1.00 17.18 ? 2214 HOH C O 1 HETATM 9268 O O . HOH BA 5 . ? -6.221 -10.211 9.715 1.00 28.30 ? 2215 HOH C O 1 HETATM 9269 O O . HOH BA 5 . ? 2.680 -17.371 6.717 1.00 12.39 ? 2216 HOH C O 1 HETATM 9270 O O . HOH BA 5 . ? 0.716 -18.926 7.884 1.00 13.55 ? 2217 HOH C O 1 HETATM 9271 O O . HOH BA 5 . ? -2.155 -15.479 12.209 1.00 41.49 ? 2218 HOH C O 1 HETATM 9272 O O . HOH BA 5 . ? 3.256 -12.528 0.028 1.00 10.28 ? 2219 HOH C O 1 HETATM 9273 O O . HOH BA 5 . ? -4.005 -16.254 0.639 1.00 21.78 ? 2220 HOH C O 1 HETATM 9274 O O . HOH BA 5 . ? -3.312 -12.289 -0.694 1.00 28.05 ? 2221 HOH C O 1 HETATM 9275 O O . HOH BA 5 . ? 11.904 -11.901 12.787 1.00 39.86 ? 2222 HOH C O 1 HETATM 9276 O O . HOH BA 5 . ? 13.130 -18.803 2.674 1.00 48.02 ? 2223 HOH C O 1 HETATM 9277 O O . HOH BA 5 . ? 6.029 -19.519 6.124 1.00 38.02 ? 2224 HOH C O 1 HETATM 9278 O O . HOH BA 5 . ? 8.097 -19.352 4.466 1.00 19.05 ? 2225 HOH C O 1 HETATM 9279 O O . HOH BA 5 . ? 7.605 -19.058 10.488 1.00 40.46 ? 2226 HOH C O 1 HETATM 9280 O O . HOH BA 5 . ? 7.789 -14.409 10.396 1.00 33.56 ? 2227 HOH C O 1 HETATM 9281 O O . HOH BA 5 . ? 13.587 -15.624 -1.041 1.00 34.46 ? 2228 HOH C O 1 HETATM 9282 O O . HOH BA 5 . ? 7.587 -17.646 -3.070 1.00 26.35 ? 2229 HOH C O 1 HETATM 9283 O O . HOH BA 5 . ? 5.672 -16.031 -5.715 1.00 37.38 ? 2230 HOH C O 1 HETATM 9284 O O . HOH BA 5 . ? -1.244 -14.128 -4.584 1.00 25.42 ? 2231 HOH C O 1 HETATM 9285 O O . HOH BA 5 . ? -1.197 -11.282 -7.295 1.00 28.22 ? 2232 HOH C O 1 HETATM 9286 O O . HOH BA 5 . ? 4.649 -13.779 -8.318 1.00 28.62 ? 2233 HOH C O 1 HETATM 9287 O O . HOH BA 5 . ? 3.767 -10.670 -12.151 1.00 19.37 ? 2234 HOH C O 1 HETATM 9288 O O . HOH BA 5 . ? 0.330 -9.569 -13.828 1.00 36.59 ? 2235 HOH C O 1 HETATM 9289 O O . HOH BA 5 . ? -3.896 -11.121 -11.391 1.00 34.20 ? 2236 HOH C O 1 HETATM 9290 O O . HOH BA 5 . ? 4.635 -8.231 -12.781 1.00 32.04 ? 2237 HOH C O 1 HETATM 9291 O O . HOH BA 5 . ? 7.305 -7.792 -12.720 1.00 10.32 ? 2238 HOH C O 1 HETATM 9292 O O . HOH BA 5 . ? 10.435 -16.713 -12.591 1.00 11.82 ? 2239 HOH C O 1 HETATM 9293 O O . HOH BA 5 . ? 14.313 -6.577 -17.561 1.00 28.09 ? 2240 HOH C O 1 HETATM 9294 O O . HOH BA 5 . ? 11.161 -5.365 -22.036 1.00 58.40 ? 2241 HOH C O 1 HETATM 9295 O O . HOH BA 5 . ? 13.364 -3.492 -19.920 1.00 41.58 ? 2242 HOH C O 1 HETATM 9296 O O . HOH BA 5 . ? 17.316 -4.572 -18.408 1.00 33.10 ? 2243 HOH C O 1 HETATM 9297 O O . HOH BA 5 . ? 21.083 -5.801 -16.130 1.00 33.53 ? 2244 HOH C O 1 HETATM 9298 O O . HOH BA 5 . ? 13.533 -1.500 -21.643 1.00 34.81 ? 2245 HOH C O 1 HETATM 9299 O O . HOH BA 5 . ? 19.046 -2.186 -18.047 1.00 21.47 ? 2246 HOH C O 1 HETATM 9300 O O . HOH BA 5 . ? 16.436 6.881 -19.609 1.00 42.26 ? 2247 HOH C O 1 HETATM 9301 O O . HOH BA 5 . ? 24.415 2.313 -16.859 1.00 29.69 ? 2248 HOH C O 1 HETATM 9302 O O . HOH BA 5 . ? 22.948 4.738 -18.280 1.00 27.29 ? 2249 HOH C O 1 HETATM 9303 O O . HOH BA 5 . ? 26.231 0.533 -14.167 1.00 31.99 ? 2250 HOH C O 1 HETATM 9304 O O . HOH BA 5 . ? 27.539 4.569 -14.972 1.00 36.47 ? 2251 HOH C O 1 HETATM 9305 O O . HOH BA 5 . ? 33.016 3.311 -9.388 1.00 16.42 ? 2252 HOH C O 1 HETATM 9306 O O . HOH BA 5 . ? 24.766 -2.924 -14.117 1.00 24.53 ? 2253 HOH C O 1 HETATM 9307 O O . HOH BA 5 . ? 25.246 -5.377 -12.958 1.00 15.89 ? 2254 HOH C O 1 HETATM 9308 O O . HOH BA 5 . ? 29.241 -10.980 -8.194 1.00 39.96 ? 2255 HOH C O 1 HETATM 9309 O O . HOH BA 5 . ? 31.655 -7.866 -4.921 1.00 17.40 ? 2256 HOH C O 1 HETATM 9310 O O . HOH BA 5 . ? 27.725 -9.879 -3.301 1.00 27.08 ? 2257 HOH C O 1 HETATM 9311 O O . HOH BA 5 . ? 20.370 -14.724 -1.102 1.00 47.88 ? 2258 HOH C O 1 HETATM 9312 O O . HOH BA 5 . ? 24.717 -12.425 6.273 1.00 28.44 ? 2259 HOH C O 1 HETATM 9313 O O . HOH BA 5 . ? 25.978 -14.421 3.051 1.00 19.78 ? 2260 HOH C O 1 HETATM 9314 O O . HOH BA 5 . ? 18.712 -9.534 7.067 1.00 29.46 ? 2261 HOH C O 1 HETATM 9315 O O . HOH BA 5 . ? 23.191 -9.736 7.587 1.00 28.81 ? 2262 HOH C O 1 HETATM 9316 O O . HOH BA 5 . ? -16.042 -3.872 -0.176 1.00 40.35 ? 2263 HOH C O 1 HETATM 9317 O O . HOH CA 5 . ? 48.689 -21.990 16.686 1.00 42.39 ? 2001 HOH D O 1 HETATM 9318 O O . HOH CA 5 . ? 51.668 -18.886 20.457 1.00 39.61 ? 2002 HOH D O 1 HETATM 9319 O O . HOH CA 5 . ? 44.911 -18.708 16.086 1.00 38.10 ? 2003 HOH D O 1 HETATM 9320 O O . HOH CA 5 . ? 54.102 -22.457 19.916 1.00 53.77 ? 2004 HOH D O 1 HETATM 9321 O O . HOH CA 5 . ? 51.279 -19.414 23.995 1.00 38.30 ? 2005 HOH D O 1 HETATM 9322 O O . HOH CA 5 . ? 56.058 -20.477 6.813 1.00 30.86 ? 2006 HOH D O 1 HETATM 9323 O O . HOH CA 5 . ? 58.024 -20.152 10.716 1.00 22.15 ? 2007 HOH D O 1 HETATM 9324 O O . HOH CA 5 . ? 53.319 -19.761 14.725 1.00 16.33 ? 2008 HOH D O 1 HETATM 9325 O O . HOH CA 5 . ? 56.577 -18.214 14.358 1.00 46.18 ? 2009 HOH D O 1 HETATM 9326 O O . HOH CA 5 . ? 54.845 -24.031 10.339 1.00 27.25 ? 2010 HOH D O 1 HETATM 9327 O O . HOH CA 5 . ? 52.986 4.723 25.538 1.00 33.22 ? 2011 HOH D O 1 HETATM 9328 O O . HOH CA 5 . ? 60.176 4.164 26.482 1.00 32.29 ? 2012 HOH D O 1 HETATM 9329 O O . HOH CA 5 . ? 51.527 -20.300 17.852 1.00 32.35 ? 2013 HOH D O 1 HETATM 9330 O O . HOH CA 5 . ? 47.901 -23.153 11.428 1.00 39.63 ? 2014 HOH D O 1 HETATM 9331 O O . HOH CA 5 . ? 48.005 4.932 22.774 1.00 17.01 ? 2015 HOH D O 1 HETATM 9332 O O . HOH CA 5 . ? 46.305 12.387 18.056 1.00 33.35 ? 2016 HOH D O 1 HETATM 9333 O O . HOH CA 5 . ? 60.083 10.086 16.861 1.00 40.53 ? 2017 HOH D O 1 HETATM 9334 O O . HOH CA 5 . ? 42.816 12.760 19.107 1.00 47.35 ? 2018 HOH D O 1 HETATM 9335 O O . HOH CA 5 . ? 46.491 -16.917 14.568 1.00 29.55 ? 2019 HOH D O 1 HETATM 9336 O O . HOH CA 5 . ? 48.771 -18.922 20.400 1.00 28.90 ? 2020 HOH D O 1 HETATM 9337 O O . HOH CA 5 . ? 46.106 -20.795 15.900 1.00 47.33 ? 2021 HOH D O 1 HETATM 9338 O O . HOH CA 5 . ? 46.775 -14.347 14.772 1.00 26.28 ? 2022 HOH D O 1 HETATM 9339 O O . HOH CA 5 . ? 55.625 -20.746 18.732 1.00 32.63 ? 2023 HOH D O 1 HETATM 9340 O O . HOH CA 5 . ? 57.253 -15.700 18.533 1.00 30.31 ? 2024 HOH D O 1 HETATM 9341 O O . HOH CA 5 . ? 55.444 -14.591 -0.575 1.00 43.00 ? 2025 HOH D O 1 HETATM 9342 O O . HOH CA 5 . ? 47.291 -4.616 -16.098 1.00 43.54 ? 2026 HOH D O 1 HETATM 9343 O O . HOH CA 5 . ? 54.115 0.569 18.782 1.00 12.13 ? 2027 HOH D O 1 HETATM 9344 O O . HOH CA 5 . ? 51.233 2.759 25.185 1.00 12.52 ? 2028 HOH D O 1 HETATM 9345 O O . HOH CA 5 . ? 53.105 3.628 16.966 1.00 10.84 ? 2029 HOH D O 1 HETATM 9346 O O . HOH CA 5 . ? 56.805 6.840 20.886 1.00 26.74 ? 2030 HOH D O 1 HETATM 9347 O O . HOH CA 5 . ? 57.776 4.348 24.938 1.00 29.09 ? 2031 HOH D O 1 HETATM 9348 O O . HOH CA 5 . ? 59.124 6.576 18.910 1.00 28.39 ? 2032 HOH D O 1 HETATM 9349 O O . HOH CA 5 . ? 63.540 4.932 23.402 1.00 33.44 ? 2033 HOH D O 1 HETATM 9350 O O . HOH CA 5 . ? 50.591 5.060 23.570 1.00 17.49 ? 2034 HOH D O 1 HETATM 9351 O O . HOH CA 5 . ? 53.879 6.946 23.142 1.00 26.95 ? 2035 HOH D O 1 HETATM 9352 O O . HOH CA 5 . ? 47.098 7.363 22.222 1.00 29.37 ? 2036 HOH D O 1 HETATM 9353 O O . HOH CA 5 . ? 48.678 11.466 18.079 1.00 45.26 ? 2037 HOH D O 1 HETATM 9354 O O . HOH CA 5 . ? 46.663 10.615 19.978 1.00 31.21 ? 2038 HOH D O 1 HETATM 9355 O O . HOH CA 5 . ? 36.929 -8.054 24.627 1.00 31.07 ? 2039 HOH D O 1 HETATM 9356 O O . HOH CA 5 . ? 57.707 8.607 17.652 1.00 21.97 ? 2040 HOH D O 1 HETATM 9357 O O . HOH CA 5 . ? 59.061 8.138 10.956 1.00 26.60 ? 2041 HOH D O 1 HETATM 9358 O O . HOH CA 5 . ? 41.009 10.312 21.398 1.00 33.85 ? 2042 HOH D O 1 HETATM 9359 O O . HOH CA 5 . ? 33.678 8.665 18.440 1.00 45.29 ? 2043 HOH D O 1 HETATM 9360 O O . HOH CA 5 . ? 39.983 12.369 17.252 1.00 34.60 ? 2044 HOH D O 1 HETATM 9361 O O . HOH CA 5 . ? 33.211 5.225 21.479 1.00 33.41 ? 2045 HOH D O 1 HETATM 9362 O O . HOH CA 5 . ? 61.338 3.391 12.483 1.00 31.41 ? 2046 HOH D O 1 HETATM 9363 O O . HOH CA 5 . ? 52.272 1.694 15.397 1.00 9.93 ? 2047 HOH D O 1 HETATM 9364 O O . HOH CA 5 . ? 60.692 1.100 6.730 1.00 19.73 ? 2048 HOH D O 1 HETATM 9365 O O . HOH CA 5 . ? 52.193 5.137 -11.482 1.00 41.56 ? 2049 HOH D O 1 HETATM 9366 O O . HOH CA 5 . ? 43.161 4.776 -14.604 1.00 47.79 ? 2050 HOH D O 1 HETATM 9367 O O . HOH CA 5 . ? 58.364 1.058 4.372 1.00 27.73 ? 2051 HOH D O 1 HETATM 9368 O O . HOH CA 5 . ? 56.943 -1.129 3.192 1.00 30.50 ? 2052 HOH D O 1 HETATM 9369 O O . HOH CA 5 . ? 54.956 -5.356 -0.729 1.00 29.66 ? 2053 HOH D O 1 HETATM 9370 O O . HOH CA 5 . ? 56.468 -3.342 1.739 1.00 18.33 ? 2054 HOH D O 1 HETATM 9371 O O . HOH CA 5 . ? 54.585 -11.748 2.948 1.00 20.62 ? 2055 HOH D O 1 HETATM 9372 O O . HOH CA 5 . ? 57.271 -12.202 -0.078 1.00 32.60 ? 2056 HOH D O 1 HETATM 9373 O O . HOH CA 5 . ? 52.157 -10.448 -9.467 1.00 35.17 ? 2057 HOH D O 1 HETATM 9374 O O . HOH CA 5 . ? 44.818 -8.609 -11.240 1.00 27.96 ? 2058 HOH D O 1 HETATM 9375 O O . HOH CA 5 . ? 46.404 -6.639 -14.305 1.00 38.14 ? 2059 HOH D O 1 HETATM 9376 O O . HOH CA 5 . ? 29.997 8.438 3.561 1.00 44.81 ? 2060 HOH D O 1 HETATM 9377 O O . HOH CA 5 . ? 30.099 8.247 6.173 1.00 29.49 ? 2061 HOH D O 1 HETATM 9378 O O . HOH CA 5 . ? 43.441 -9.250 -9.263 1.00 18.33 ? 2062 HOH D O 1 HETATM 9379 O O . HOH CA 5 . ? 37.133 -7.006 -11.910 1.00 12.36 ? 2063 HOH D O 1 HETATM 9380 O O . HOH CA 5 . ? 38.145 -3.846 -14.754 1.00 23.42 ? 2064 HOH D O 1 HETATM 9381 O O . HOH CA 5 . ? 29.659 -6.262 17.431 1.00 34.62 ? 2065 HOH D O 1 HETATM 9382 O O . HOH CA 5 . ? 27.450 -5.083 18.951 1.00 39.70 ? 2066 HOH D O 1 HETATM 9383 O O . HOH CA 5 . ? 32.249 -7.449 20.412 1.00 31.98 ? 2067 HOH D O 1 HETATM 9384 O O . HOH CA 5 . ? 40.614 -12.462 -9.505 1.00 18.62 ? 2068 HOH D O 1 HETATM 9385 O O . HOH CA 5 . ? 35.395 -10.315 21.987 1.00 43.37 ? 2069 HOH D O 1 HETATM 9386 O O . HOH CA 5 . ? 41.507 -13.657 8.835 1.00 10.21 ? 2070 HOH D O 1 HETATM 9387 O O . HOH CA 5 . ? 38.816 -11.370 15.980 1.00 30.64 ? 2071 HOH D O 1 HETATM 9388 O O . HOH CA 5 . ? 39.578 -3.199 17.924 1.00 8.81 ? 2072 HOH D O 1 HETATM 9389 O O . HOH CA 5 . ? 38.994 -9.331 24.760 1.00 28.67 ? 2073 HOH D O 1 HETATM 9390 O O . HOH CA 5 . ? 38.679 -4.128 26.235 1.00 10.54 ? 2074 HOH D O 1 HETATM 9391 O O . HOH CA 5 . ? 39.698 1.211 18.267 1.00 13.17 ? 2075 HOH D O 1 HETATM 9392 O O . HOH CA 5 . ? 37.941 -1.466 19.629 1.00 11.86 ? 2076 HOH D O 1 HETATM 9393 O O . HOH CA 5 . ? 45.024 0.463 21.558 1.00 7.77 ? 2077 HOH D O 1 HETATM 9394 O O . HOH CA 5 . ? 37.663 8.393 -12.338 1.00 40.13 ? 2078 HOH D O 1 HETATM 9395 O O . HOH CA 5 . ? 43.731 4.404 23.862 1.00 20.04 ? 2079 HOH D O 1 HETATM 9396 O O . HOH CA 5 . ? 40.035 5.572 23.654 1.00 26.93 ? 2080 HOH D O 1 HETATM 9397 O O . HOH CA 5 . ? 45.808 2.960 22.499 1.00 13.40 ? 2081 HOH D O 1 HETATM 9398 O O . HOH CA 5 . ? 41.859 -2.400 26.016 1.00 8.07 ? 2082 HOH D O 1 HETATM 9399 O O . HOH CA 5 . ? 42.354 7.850 21.115 1.00 11.57 ? 2083 HOH D O 1 HETATM 9400 O O . HOH CA 5 . ? 37.857 9.409 15.723 1.00 17.65 ? 2084 HOH D O 1 HETATM 9401 O O . HOH CA 5 . ? 35.810 6.844 17.854 1.00 17.12 ? 2085 HOH D O 1 HETATM 9402 O O . HOH CA 5 . ? 38.924 10.828 19.259 1.00 39.23 ? 2086 HOH D O 1 HETATM 9403 O O . HOH CA 5 . ? 35.955 5.392 20.324 1.00 29.17 ? 2087 HOH D O 1 HETATM 9404 O O . HOH CA 5 . ? 38.922 5.247 14.971 1.00 15.34 ? 2088 HOH D O 1 HETATM 9405 O O . HOH CA 5 . ? 40.815 11.423 14.751 1.00 25.59 ? 2089 HOH D O 1 HETATM 9406 O O . HOH CA 5 . ? 40.286 -2.071 15.384 1.00 14.74 ? 2090 HOH D O 1 HETATM 9407 O O . HOH CA 5 . ? 48.636 0.981 8.318 1.00 8.01 ? 2091 HOH D O 1 HETATM 9408 O O . HOH CA 5 . ? 48.032 -0.661 10.860 1.00 9.77 ? 2092 HOH D O 1 HETATM 9409 O O . HOH CA 5 . ? 48.599 3.160 11.242 1.00 21.43 ? 2093 HOH D O 1 HETATM 9410 O O . HOH CA 5 . ? 55.224 13.333 15.673 1.00 41.68 ? 2094 HOH D O 1 HETATM 9411 O O . HOH CA 5 . ? 48.277 4.497 2.498 1.00 7.52 ? 2095 HOH D O 1 HETATM 9412 O O . HOH CA 5 . ? 44.075 12.999 16.657 1.00 33.27 ? 2096 HOH D O 1 HETATM 9413 O O . HOH CA 5 . ? 53.652 6.956 -2.487 1.00 12.03 ? 2097 HOH D O 1 HETATM 9414 O O . HOH CA 5 . ? 52.764 3.815 -8.916 1.00 18.35 ? 2098 HOH D O 1 HETATM 9415 O O . HOH CA 5 . ? 55.676 1.343 -7.129 1.00 14.69 ? 2099 HOH D O 1 HETATM 9416 O O . HOH CA 5 . ? 60.000 7.570 -3.609 1.00 29.23 ? 2100 HOH D O 1 HETATM 9417 O O . HOH CA 5 . ? 44.416 -18.352 -8.078 1.00 46.15 ? 2101 HOH D O 1 HETATM 9418 O O . HOH CA 5 . ? 55.641 8.494 -3.865 1.00 18.03 ? 2102 HOH D O 1 HETATM 9419 O O . HOH CA 5 . ? 49.311 10.613 -4.789 1.00 17.99 ? 2103 HOH D O 1 HETATM 9420 O O . HOH CA 5 . ? 51.850 9.773 -9.835 1.00 31.62 ? 2104 HOH D O 1 HETATM 9421 O O . HOH CA 5 . ? 52.015 11.176 -3.815 1.00 22.92 ? 2105 HOH D O 1 HETATM 9422 O O . HOH CA 5 . ? 52.269 12.182 -7.075 1.00 17.20 ? 2106 HOH D O 1 HETATM 9423 O O . HOH CA 5 . ? 47.101 4.329 -11.713 1.00 29.74 ? 2107 HOH D O 1 HETATM 9424 O O . HOH CA 5 . ? 50.965 7.581 -11.141 1.00 33.26 ? 2108 HOH D O 1 HETATM 9425 O O . HOH CA 5 . ? 44.566 8.931 -10.078 1.00 28.88 ? 2109 HOH D O 1 HETATM 9426 O O . HOH CA 5 . ? 46.022 6.001 -13.157 1.00 31.76 ? 2110 HOH D O 1 HETATM 9427 O O . HOH CA 5 . ? 28.904 -20.574 4.963 1.00 46.58 ? 2111 HOH D O 1 HETATM 9428 O O . HOH CA 5 . ? 27.210 -14.952 -2.870 1.00 39.10 ? 2112 HOH D O 1 HETATM 9429 O O . HOH CA 5 . ? 52.714 9.506 -1.959 1.00 17.77 ? 2113 HOH D O 1 HETATM 9430 O O . HOH CA 5 . ? 47.385 12.536 2.352 1.00 31.69 ? 2114 HOH D O 1 HETATM 9431 O O . HOH CA 5 . ? 46.259 11.361 -0.685 1.00 28.34 ? 2115 HOH D O 1 HETATM 9432 O O . HOH CA 5 . ? 43.126 10.134 -0.533 1.00 16.31 ? 2116 HOH D O 1 HETATM 9433 O O . HOH CA 5 . ? 51.998 -18.561 1.005 1.00 33.12 ? 2117 HOH D O 1 HETATM 9434 O O . HOH CA 5 . ? 41.484 11.178 10.096 1.00 23.34 ? 2118 HOH D O 1 HETATM 9435 O O . HOH CA 5 . ? 37.485 -1.804 14.999 1.00 15.90 ? 2119 HOH D O 1 HETATM 9436 O O . HOH CA 5 . ? 37.678 3.356 16.269 1.00 30.05 ? 2120 HOH D O 1 HETATM 9437 O O . HOH CA 5 . ? 36.820 1.051 17.702 1.00 35.70 ? 2121 HOH D O 1 HETATM 9438 O O . HOH CA 5 . ? 38.169 10.220 10.652 1.00 28.14 ? 2122 HOH D O 1 HETATM 9439 O O . HOH CA 5 . ? 34.957 12.623 8.911 1.00 43.58 ? 2123 HOH D O 1 HETATM 9440 O O . HOH CA 5 . ? 50.034 -15.593 26.032 1.00 26.12 ? 2124 HOH D O 1 HETATM 9441 O O . HOH CA 5 . ? 41.650 -17.300 28.027 1.00 31.26 ? 2125 HOH D O 1 HETATM 9442 O O . HOH CA 5 . ? 45.256 -18.545 25.432 1.00 31.39 ? 2126 HOH D O 1 HETATM 9443 O O . HOH CA 5 . ? 49.312 -17.770 25.506 1.00 30.44 ? 2127 HOH D O 1 HETATM 9444 O O . HOH CA 5 . ? 31.207 6.962 15.804 1.00 36.57 ? 2128 HOH D O 1 HETATM 9445 O O . HOH CA 5 . ? 33.399 -12.780 -17.849 1.00 37.44 ? 2129 HOH D O 1 HETATM 9446 O O . HOH CA 5 . ? 28.097 3.449 12.860 1.00 28.08 ? 2130 HOH D O 1 HETATM 9447 O O . HOH CA 5 . ? 40.680 11.742 3.387 1.00 48.94 ? 2131 HOH D O 1 HETATM 9448 O O . HOH CA 5 . ? 39.346 10.925 -1.131 1.00 35.85 ? 2132 HOH D O 1 HETATM 9449 O O . HOH CA 5 . ? 43.856 10.995 -7.632 1.00 37.44 ? 2133 HOH D O 1 HETATM 9450 O O . HOH CA 5 . ? 35.600 6.581 -7.999 1.00 14.13 ? 2134 HOH D O 1 HETATM 9451 O O . HOH CA 5 . ? 34.628 7.483 -3.964 1.00 21.41 ? 2135 HOH D O 1 HETATM 9452 O O . HOH CA 5 . ? 36.769 10.152 -2.658 1.00 22.54 ? 2136 HOH D O 1 HETATM 9453 O O . HOH CA 5 . ? 32.462 8.169 -0.335 1.00 28.36 ? 2137 HOH D O 1 HETATM 9454 O O . HOH CA 5 . ? 30.894 5.886 0.550 1.00 15.89 ? 2138 HOH D O 1 HETATM 9455 O O . HOH CA 5 . ? 28.793 6.316 2.081 1.00 17.08 ? 2139 HOH D O 1 HETATM 9456 O O . HOH CA 5 . ? 28.944 5.811 5.429 1.00 22.84 ? 2140 HOH D O 1 HETATM 9457 O O . HOH CA 5 . ? 33.271 8.365 2.346 1.00 34.21 ? 2141 HOH D O 1 HETATM 9458 O O . HOH CA 5 . ? 29.161 1.134 16.188 1.00 22.98 ? 2142 HOH D O 1 HETATM 9459 O O . HOH CA 5 . ? 30.116 -5.662 14.976 1.00 24.28 ? 2143 HOH D O 1 HETATM 9460 O O . HOH CA 5 . ? 26.274 -5.556 15.657 1.00 46.55 ? 2144 HOH D O 1 HETATM 9461 O O . HOH CA 5 . ? 35.088 -0.724 18.263 1.00 22.06 ? 2145 HOH D O 1 HETATM 9462 O O . HOH CA 5 . ? 26.192 -3.576 20.196 1.00 38.33 ? 2146 HOH D O 1 HETATM 9463 O O . HOH CA 5 . ? 31.800 -5.556 18.665 1.00 18.92 ? 2147 HOH D O 1 HETATM 9464 O O . HOH CA 5 . ? 30.407 -0.277 23.426 1.00 26.42 ? 2148 HOH D O 1 HETATM 9465 O O . HOH CA 5 . ? 33.884 1.742 26.472 1.00 27.34 ? 2149 HOH D O 1 HETATM 9466 O O . HOH CA 5 . ? 31.250 3.761 21.311 1.00 33.91 ? 2150 HOH D O 1 HETATM 9467 O O . HOH CA 5 . ? 34.939 -6.004 24.413 1.00 34.93 ? 2151 HOH D O 1 HETATM 9468 O O . HOH CA 5 . ? 35.932 -4.058 26.442 1.00 18.32 ? 2152 HOH D O 1 HETATM 9469 O O . HOH CA 5 . ? 36.096 -3.041 17.157 1.00 18.62 ? 2153 HOH D O 1 HETATM 9470 O O . HOH CA 5 . ? 34.504 -8.797 19.529 1.00 24.92 ? 2154 HOH D O 1 HETATM 9471 O O . HOH CA 5 . ? 34.049 -5.921 17.193 1.00 14.58 ? 2155 HOH D O 1 HETATM 9472 O O . HOH CA 5 . ? 35.989 -10.788 16.256 1.00 26.70 ? 2156 HOH D O 1 HETATM 9473 O O . HOH CA 5 . ? 34.526 -10.484 8.982 1.00 7.77 ? 2157 HOH D O 1 HETATM 9474 O O . HOH CA 5 . ? 35.133 -9.014 1.833 1.00 29.08 ? 2158 HOH D O 1 HETATM 9475 O O . HOH CA 5 . ? 33.959 -6.685 -3.974 1.00 9.57 ? 2159 HOH D O 1 HETATM 9476 O O . HOH CA 5 . ? 33.929 -10.199 -0.608 1.00 15.82 ? 2160 HOH D O 1 HETATM 9477 O O . HOH CA 5 . ? 31.612 -10.469 -10.450 1.00 38.88 ? 2161 HOH D O 1 HETATM 9478 O O . HOH CA 5 . ? 35.646 -10.581 -9.131 1.00 30.33 ? 2162 HOH D O 1 HETATM 9479 O O . HOH CA 5 . ? 29.762 -4.604 -13.387 1.00 28.73 ? 2163 HOH D O 1 HETATM 9480 O O . HOH CA 5 . ? 33.694 -2.367 -15.989 1.00 32.72 ? 2164 HOH D O 1 HETATM 9481 O O . HOH CA 5 . ? 31.484 -6.988 -12.871 1.00 31.92 ? 2165 HOH D O 1 HETATM 9482 O O . HOH CA 5 . ? 31.160 -2.156 2.071 1.00 13.35 ? 2166 HOH D O 1 HETATM 9483 O O . HOH CA 5 . ? 31.092 -11.973 -1.106 1.00 20.50 ? 2167 HOH D O 1 HETATM 9484 O O . HOH CA 5 . ? 28.445 -7.410 0.772 1.00 15.82 ? 2168 HOH D O 1 HETATM 9485 O O . HOH CA 5 . ? 29.775 -5.511 2.186 1.00 15.87 ? 2169 HOH D O 1 HETATM 9486 O O . HOH CA 5 . ? 28.873 -13.781 11.867 1.00 40.87 ? 2170 HOH D O 1 HETATM 9487 O O . HOH CA 5 . ? 27.022 -13.637 7.439 1.00 32.02 ? 2171 HOH D O 1 HETATM 9488 O O . HOH CA 5 . ? 32.022 6.450 -4.457 1.00 28.77 ? 2172 HOH D O 1 HETATM 9489 O O . HOH CA 5 . ? 38.913 5.556 -12.249 1.00 25.96 ? 2173 HOH D O 1 HETATM 9490 O O . HOH CA 5 . ? 35.677 4.961 -12.558 1.00 33.61 ? 2174 HOH D O 1 HETATM 9491 O O . HOH CA 5 . ? 33.345 4.462 -10.772 1.00 33.51 ? 2175 HOH D O 1 HETATM 9492 O O . HOH CA 5 . ? 28.799 2.231 -14.365 1.00 28.03 ? 2176 HOH D O 1 HETATM 9493 O O . HOH CA 5 . ? 31.092 4.142 -12.110 1.00 30.78 ? 2177 HOH D O 1 HETATM 9494 O O . HOH CA 5 . ? 28.715 -1.604 -14.915 1.00 33.80 ? 2178 HOH D O 1 HETATM 9495 O O . HOH CA 5 . ? 39.243 -1.436 -17.214 1.00 41.74 ? 2179 HOH D O 1 HETATM 9496 O O . HOH CA 5 . ? 42.252 1.297 -15.949 1.00 33.54 ? 2180 HOH D O 1 HETATM 9497 O O . HOH CA 5 . ? 44.001 1.966 -14.111 1.00 23.57 ? 2181 HOH D O 1 HETATM 9498 O O . HOH CA 5 . ? 46.400 1.808 -12.708 1.00 29.11 ? 2182 HOH D O 1 HETATM 9499 O O . HOH CA 5 . ? 48.456 0.035 -13.292 1.00 35.13 ? 2183 HOH D O 1 HETATM 9500 O O . HOH CA 5 . ? 51.523 -0.810 -11.748 1.00 30.28 ? 2184 HOH D O 1 HETATM 9501 O O . HOH CA 5 . ? 53.977 1.224 -9.395 1.00 30.92 ? 2185 HOH D O 1 HETATM 9502 O O . HOH CA 5 . ? 58.347 1.038 -8.016 1.00 28.72 ? 2186 HOH D O 1 HETATM 9503 O O . HOH CA 5 . ? 57.498 -3.767 -0.710 1.00 35.29 ? 2187 HOH D O 1 HETATM 9504 O O . HOH CA 5 . ? 51.181 7.013 10.675 1.00 7.67 ? 2188 HOH D O 1 HETATM 9505 O O . HOH CA 5 . ? 51.092 9.708 7.047 1.00 8.81 ? 2189 HOH D O 1 HETATM 9506 O O . HOH CA 5 . ? 48.983 12.609 7.522 1.00 13.39 ? 2190 HOH D O 1 HETATM 9507 O O . HOH CA 5 . ? 52.592 13.452 6.050 1.00 32.09 ? 2191 HOH D O 1 HETATM 9508 O O . HOH CA 5 . ? 58.054 8.761 -2.202 1.00 18.87 ? 2192 HOH D O 1 HETATM 9509 O O . HOH CA 5 . ? 59.990 4.998 6.456 1.00 32.83 ? 2193 HOH D O 1 HETATM 9510 O O . HOH CA 5 . ? 58.018 9.198 8.592 1.00 16.04 ? 2194 HOH D O 1 HETATM 9511 O O . HOH CA 5 . ? 59.767 9.237 5.986 1.00 31.91 ? 2195 HOH D O 1 HETATM 9512 O O . HOH CA 5 . ? 59.252 11.052 -1.045 1.00 28.85 ? 2196 HOH D O 1 HETATM 9513 O O . HOH CA 5 . ? 56.786 11.797 9.191 1.00 39.93 ? 2197 HOH D O 1 HETATM 9514 O O . HOH CA 5 . ? 53.638 12.875 13.361 1.00 19.57 ? 2198 HOH D O 1 HETATM 9515 O O . HOH CA 5 . ? 43.658 11.207 14.379 1.00 29.54 ? 2199 HOH D O 1 HETATM 9516 O O . HOH CA 5 . ? 44.757 12.771 11.402 1.00 46.18 ? 2200 HOH D O 1 HETATM 9517 O O . HOH CA 5 . ? 45.974 13.409 7.265 1.00 49.89 ? 2201 HOH D O 1 HETATM 9518 O O . HOH CA 5 . ? 47.455 -11.191 22.432 1.00 12.24 ? 2202 HOH D O 1 HETATM 9519 O O . HOH CA 5 . ? 45.390 -8.712 24.544 1.00 8.72 ? 2203 HOH D O 1 HETATM 9520 O O . HOH CA 5 . ? 43.351 -17.846 10.730 1.00 26.86 ? 2204 HOH D O 1 HETATM 9521 O O . HOH CA 5 . ? 46.158 -17.535 11.018 1.00 34.50 ? 2205 HOH D O 1 HETATM 9522 O O . HOH CA 5 . ? 42.834 -17.520 14.470 1.00 34.50 ? 2206 HOH D O 1 HETATM 9523 O O . HOH CA 5 . ? 46.269 -20.276 7.317 1.00 25.20 ? 2207 HOH D O 1 HETATM 9524 O O . HOH CA 5 . ? 42.840 -15.473 -4.951 1.00 16.63 ? 2208 HOH D O 1 HETATM 9525 O O . HOH CA 5 . ? 42.971 -15.804 -8.581 1.00 42.57 ? 2209 HOH D O 1 HETATM 9526 O O . HOH CA 5 . ? 46.363 -15.660 -9.447 1.00 45.26 ? 2210 HOH D O 1 HETATM 9527 O O . HOH CA 5 . ? 37.583 -15.920 -4.923 1.00 38.12 ? 2211 HOH D O 1 HETATM 9528 O O . HOH CA 5 . ? 37.371 -12.266 -8.104 1.00 17.99 ? 2212 HOH D O 1 HETATM 9529 O O . HOH CA 5 . ? 33.113 -13.841 -5.287 1.00 27.60 ? 2213 HOH D O 1 HETATM 9530 O O . HOH CA 5 . ? 28.249 -18.082 3.758 1.00 32.86 ? 2214 HOH D O 1 HETATM 9531 O O . HOH CA 5 . ? 34.524 -21.743 2.630 1.00 19.51 ? 2215 HOH D O 1 HETATM 9532 O O . HOH CA 5 . ? 31.966 -21.243 5.505 1.00 25.09 ? 2216 HOH D O 1 HETATM 9533 O O . HOH CA 5 . ? 28.342 -17.949 -2.626 1.00 45.89 ? 2217 HOH D O 1 HETATM 9534 O O . HOH CA 5 . ? 30.463 -19.377 -4.254 1.00 53.46 ? 2218 HOH D O 1 HETATM 9535 O O . HOH CA 5 . ? 39.150 -17.552 3.323 1.00 10.22 ? 2219 HOH D O 1 HETATM 9536 O O . HOH CA 5 . ? 37.350 -18.142 -3.509 1.00 35.40 ? 2220 HOH D O 1 HETATM 9537 O O . HOH CA 5 . ? 35.674 -23.499 6.703 1.00 38.78 ? 2221 HOH D O 1 HETATM 9538 O O . HOH CA 5 . ? 41.579 -16.173 9.833 1.00 20.42 ? 2222 HOH D O 1 HETATM 9539 O O . HOH CA 5 . ? 32.861 -22.816 7.436 1.00 38.61 ? 2223 HOH D O 1 HETATM 9540 O O . HOH CA 5 . ? 35.678 -23.255 10.168 1.00 32.64 ? 2224 HOH D O 1 HETATM 9541 O O . HOH CA 5 . ? 40.690 -21.398 15.013 1.00 46.81 ? 2225 HOH D O 1 HETATM 9542 O O . HOH CA 5 . ? 43.261 -23.247 11.031 1.00 38.69 ? 2226 HOH D O 1 HETATM 9543 O O . HOH CA 5 . ? 39.995 -23.902 4.543 1.00 33.60 ? 2227 HOH D O 1 HETATM 9544 O O . HOH CA 5 . ? 45.511 -19.935 4.445 1.00 24.85 ? 2228 HOH D O 1 HETATM 9545 O O . HOH CA 5 . ? 44.789 -17.472 -3.284 1.00 27.32 ? 2229 HOH D O 1 HETATM 9546 O O . HOH CA 5 . ? 41.961 -19.951 -2.059 1.00 20.96 ? 2230 HOH D O 1 HETATM 9547 O O . HOH CA 5 . ? 51.095 -16.132 -0.287 1.00 33.70 ? 2231 HOH D O 1 HETATM 9548 O O . HOH CA 5 . ? 51.612 -16.407 -4.313 1.00 38.26 ? 2232 HOH D O 1 HETATM 9549 O O . HOH CA 5 . ? 48.146 -17.675 -7.347 1.00 35.20 ? 2233 HOH D O 1 HETATM 9550 O O . HOH CA 5 . ? 52.567 -14.339 -0.022 1.00 31.75 ? 2234 HOH D O 1 HETATM 9551 O O . HOH CA 5 . ? 52.811 -13.988 2.462 1.00 13.36 ? 2235 HOH D O 1 HETATM 9552 O O . HOH CA 5 . ? 52.851 -22.450 5.931 1.00 36.37 ? 2236 HOH D O 1 HETATM 9553 O O . HOH CA 5 . ? 46.499 -24.268 7.334 1.00 22.86 ? 2237 HOH D O 1 HETATM 9554 O O . HOH CA 5 . ? 44.797 -22.226 8.477 1.00 27.35 ? 2238 HOH D O 1 HETATM 9555 O O . HOH CA 5 . ? 54.922 -16.818 1.357 1.00 29.36 ? 2239 HOH D O 1 HETATM 9556 O O . HOH CA 5 . ? 59.945 -12.528 7.417 1.00 30.83 ? 2240 HOH D O 1 HETATM 9557 O O . HOH CA 5 . ? 61.600 -11.325 9.725 1.00 37.83 ? 2241 HOH D O 1 HETATM 9558 O O . HOH CA 5 . ? 60.640 -11.401 14.068 1.00 26.52 ? 2242 HOH D O 1 HETATM 9559 O O . HOH CA 5 . ? 62.087 -8.004 11.359 1.00 21.18 ? 2243 HOH D O 1 HETATM 9560 O O . HOH CA 5 . ? 63.852 -4.796 13.587 1.00 45.07 ? 2244 HOH D O 1 HETATM 9561 O O . HOH CA 5 . ? 63.094 -3.146 16.029 1.00 25.34 ? 2245 HOH D O 1 HETATM 9562 O O . HOH CA 5 . ? 64.212 -0.703 13.992 1.00 29.70 ? 2246 HOH D O 1 HETATM 9563 O O . HOH CA 5 . ? 61.034 -4.179 18.839 1.00 32.96 ? 2247 HOH D O 1 HETATM 9564 O O . HOH CA 5 . ? 59.018 -0.140 26.181 1.00 17.78 ? 2248 HOH D O 1 HETATM 9565 O O . HOH CA 5 . ? 60.195 -7.752 17.930 1.00 23.31 ? 2249 HOH D O 1 HETATM 9566 O O . HOH CA 5 . ? 58.997 -9.965 19.033 1.00 17.25 ? 2250 HOH D O 1 HETATM 9567 O O . HOH CA 5 . ? 55.327 -15.095 20.339 1.00 34.06 ? 2251 HOH D O 1 HETATM 9568 O O . HOH CA 5 . ? 57.710 -11.731 22.715 1.00 38.72 ? 2252 HOH D O 1 HETATM 9569 O O . HOH CA 5 . ? 55.375 -14.495 25.144 1.00 28.55 ? 2253 HOH D O 1 HETATM 9570 O O . HOH CA 5 . ? 58.507 -13.591 26.052 1.00 34.42 ? 2254 HOH D O 1 HETATM 9571 O O . HOH CA 5 . ? 50.216 -12.951 24.553 1.00 20.01 ? 2255 HOH D O 1 HETATM 9572 O O . HOH CA 5 . ? 45.613 -18.325 19.022 1.00 44.53 ? 2256 HOH D O 1 HETATM 9573 O O . HOH CA 5 . ? 43.436 -16.589 26.257 1.00 21.50 ? 2257 HOH D O 1 HETATM 9574 O O . HOH CA 5 . ? 40.130 -14.315 25.626 1.00 32.18 ? 2258 HOH D O 1 HETATM 9575 O O . HOH CA 5 . ? 37.418 -12.236 20.277 1.00 32.92 ? 2259 HOH D O 1 HETATM 9576 O O . HOH CA 5 . ? 38.679 -11.802 24.364 1.00 30.73 ? 2260 HOH D O 1 HETATM 9577 O O . HOH CA 5 . ? 34.233 -10.174 -16.346 1.00 38.23 ? 2261 HOH D O 1 HETATM 9578 O O . HOH DA 5 . ? 56.175 -13.267 53.198 1.00 42.16 ? 2001 HOH E O 1 HETATM 9579 O O . HOH DA 5 . ? 47.727 -20.887 57.723 1.00 32.69 ? 2002 HOH E O 1 HETATM 9580 O O . HOH DA 5 . ? 45.989 -20.223 59.398 1.00 23.47 ? 2003 HOH E O 1 HETATM 9581 O O . HOH DA 5 . ? 43.957 -18.695 60.337 1.00 36.48 ? 2004 HOH E O 1 HETATM 9582 O O . HOH DA 5 . ? 50.152 -9.993 59.112 1.00 26.21 ? 2005 HOH E O 1 HETATM 9583 O O . HOH DA 5 . ? 49.164 -17.954 56.899 1.00 22.74 ? 2006 HOH E O 1 HETATM 9584 O O . HOH DA 5 . ? 48.087 -18.356 59.143 1.00 28.00 ? 2007 HOH E O 1 HETATM 9585 O O . HOH DA 5 . ? 45.930 -16.908 59.931 1.00 16.52 ? 2008 HOH E O 1 HETATM 9586 O O . HOH DA 5 . ? 40.651 -16.567 56.729 1.00 19.40 ? 2009 HOH E O 1 HETATM 9587 O O . HOH DA 5 . ? 42.267 -14.099 59.292 1.00 34.90 ? 2010 HOH E O 1 HETATM 9588 O O . HOH DA 5 . ? 43.817 -20.569 58.330 1.00 17.55 ? 2011 HOH E O 1 HETATM 9589 O O . HOH DA 5 . ? 35.848 10.425 63.385 1.00 36.43 ? 2012 HOH E O 1 HETATM 9590 O O . HOH DA 5 . ? 33.323 11.134 52.705 1.00 27.28 ? 2013 HOH E O 1 HETATM 9591 O O . HOH DA 5 . ? 32.975 13.880 48.516 1.00 39.40 ? 2014 HOH E O 1 HETATM 9592 O O . HOH DA 5 . ? 49.744 8.859 57.535 1.00 30.75 ? 2015 HOH E O 1 HETATM 9593 O O . HOH DA 5 . ? 33.934 -15.712 53.888 1.00 24.73 ? 2016 HOH E O 1 HETATM 9594 O O . HOH DA 5 . ? 49.725 5.928 60.393 1.00 43.01 ? 2017 HOH E O 1 HETATM 9595 O O . HOH DA 5 . ? 46.184 6.831 61.534 1.00 38.43 ? 2018 HOH E O 1 HETATM 9596 O O . HOH DA 5 . ? 38.999 -11.993 49.424 1.00 20.84 ? 2019 HOH E O 1 HETATM 9597 O O . HOH DA 5 . ? 39.759 -18.323 58.409 1.00 35.70 ? 2020 HOH E O 1 HETATM 9598 O O . HOH DA 5 . ? 38.174 -16.576 60.518 1.00 43.39 ? 2021 HOH E O 1 HETATM 9599 O O . HOH DA 5 . ? 38.909 3.790 55.281 1.00 12.82 ? 2022 HOH E O 1 HETATM 9600 O O . HOH DA 5 . ? 32.004 6.338 53.763 1.00 15.81 ? 2023 HOH E O 1 HETATM 9601 O O . HOH DA 5 . ? 65.969 -7.898 28.235 1.00 43.54 ? 2024 HOH E O 1 HETATM 9602 O O . HOH DA 5 . ? 40.580 6.425 53.209 1.00 11.45 ? 2025 HOH E O 1 HETATM 9603 O O . HOH DA 5 . ? 35.549 10.547 58.599 1.00 26.23 ? 2026 HOH E O 1 HETATM 9604 O O . HOH DA 5 . ? 36.616 11.650 61.190 1.00 27.41 ? 2027 HOH E O 1 HETATM 9605 O O . HOH DA 5 . ? 38.614 9.454 62.623 1.00 30.62 ? 2028 HOH E O 1 HETATM 9606 O O . HOH DA 5 . ? 33.790 8.251 52.516 1.00 16.36 ? 2029 HOH E O 1 HETATM 9607 O O . HOH DA 5 . ? 34.233 9.739 53.975 1.00 18.42 ? 2030 HOH E O 1 HETATM 9608 O O . HOH DA 5 . ? 35.632 10.975 55.523 1.00 16.85 ? 2031 HOH E O 1 HETATM 9609 O O . HOH DA 5 . ? 37.459 13.341 47.291 1.00 19.65 ? 2032 HOH E O 1 HETATM 9610 O O . HOH DA 5 . ? 34.218 9.958 48.561 1.00 32.37 ? 2033 HOH E O 1 HETATM 9611 O O . HOH DA 5 . ? 34.837 13.176 49.241 1.00 33.44 ? 2034 HOH E O 1 HETATM 9612 O O . HOH DA 5 . ? 31.694 9.041 45.550 1.00 34.26 ? 2035 HOH E O 1 HETATM 9613 O O . HOH DA 5 . ? 42.319 11.969 56.744 1.00 18.77 ? 2036 HOH E O 1 HETATM 9614 O O . HOH DA 5 . ? 48.507 10.979 55.933 1.00 32.65 ? 2037 HOH E O 1 HETATM 9615 O O . HOH DA 5 . ? 33.355 12.173 42.457 1.00 30.17 ? 2038 HOH E O 1 HETATM 9616 O O . HOH DA 5 . ? 29.937 6.156 35.688 1.00 30.93 ? 2039 HOH E O 1 HETATM 9617 O O . HOH DA 5 . ? 47.196 6.168 59.622 1.00 27.27 ? 2040 HOH E O 1 HETATM 9618 O O . HOH DA 5 . ? 36.632 13.633 39.740 1.00 25.32 ? 2041 HOH E O 1 HETATM 9619 O O . HOH DA 5 . ? 41.673 4.326 52.074 1.00 8.37 ? 2042 HOH E O 1 HETATM 9620 O O . HOH DA 5 . ? 52.559 3.402 57.466 1.00 24.18 ? 2043 HOH E O 1 HETATM 9621 O O . HOH DA 5 . ? 65.994 1.352 46.768 1.00 26.02 ? 2044 HOH E O 1 HETATM 9622 O O . HOH DA 5 . ? 67.180 4.186 43.268 1.00 22.60 ? 2045 HOH E O 1 HETATM 9623 O O . HOH DA 5 . ? 58.483 11.539 40.210 1.00 27.85 ? 2046 HOH E O 1 HETATM 9624 O O . HOH DA 5 . ? 58.528 12.756 43.131 1.00 37.89 ? 2047 HOH E O 1 HETATM 9625 O O . HOH DA 5 . ? 54.062 2.715 54.471 1.00 32.42 ? 2048 HOH E O 1 HETATM 9626 O O . HOH DA 5 . ? 54.411 0.331 53.263 1.00 33.67 ? 2049 HOH E O 1 HETATM 9627 O O . HOH DA 5 . ? 56.649 12.949 35.675 1.00 43.94 ? 2050 HOH E O 1 HETATM 9628 O O . HOH DA 5 . ? 55.495 -2.031 52.657 1.00 15.21 ? 2051 HOH E O 1 HETATM 9629 O O . HOH DA 5 . ? 53.004 -10.404 52.730 1.00 17.34 ? 2052 HOH E O 1 HETATM 9630 O O . HOH DA 5 . ? 56.771 -10.871 54.439 1.00 30.06 ? 2053 HOH E O 1 HETATM 9631 O O . HOH DA 5 . ? 47.121 14.078 37.175 1.00 40.03 ? 2054 HOH E O 1 HETATM 9632 O O . HOH DA 5 . ? 61.992 -5.770 50.807 1.00 39.93 ? 2055 HOH E O 1 HETATM 9633 O O . HOH DA 5 . ? 57.036 9.370 31.097 1.00 51.47 ? 2056 HOH E O 1 HETATM 9634 O O . HOH DA 5 . ? 67.373 -8.951 39.609 1.00 35.54 ? 2057 HOH E O 1 HETATM 9635 O O . HOH DA 5 . ? 43.840 6.428 27.490 1.00 35.12 ? 2058 HOH E O 1 HETATM 9636 O O . HOH DA 5 . ? 61.128 -11.065 38.152 1.00 20.36 ? 2059 HOH E O 1 HETATM 9637 O O . HOH DA 5 . ? 65.286 -11.703 36.807 1.00 34.18 ? 2060 HOH E O 1 HETATM 9638 O O . HOH DA 5 . ? 65.096 -7.372 30.609 1.00 23.15 ? 2061 HOH E O 1 HETATM 9639 O O . HOH DA 5 . ? 31.788 -6.526 32.913 1.00 36.49 ? 2062 HOH E O 1 HETATM 9640 O O . HOH DA 5 . ? 61.579 -10.124 31.105 1.00 9.58 ? 2063 HOH E O 1 HETATM 9641 O O . HOH DA 5 . ? 57.301 -15.579 33.506 1.00 19.76 ? 2064 HOH E O 1 HETATM 9642 O O . HOH DA 5 . ? 59.935 -14.692 35.935 1.00 23.88 ? 2065 HOH E O 1 HETATM 9643 O O . HOH DA 5 . ? 28.488 -8.334 40.106 1.00 31.37 ? 2066 HOH E O 1 HETATM 9644 O O . HOH DA 5 . ? 42.895 -13.145 42.606 1.00 9.62 ? 2067 HOH E O 1 HETATM 9645 O O . HOH DA 5 . ? 66.087 -4.088 26.285 1.00 27.72 ? 2068 HOH E O 1 HETATM 9646 O O . HOH DA 5 . ? 52.411 -14.866 28.777 1.00 43.42 ? 2069 HOH E O 1 HETATM 9647 O O . HOH DA 5 . ? 35.213 -14.647 40.140 1.00 26.05 ? 2070 HOH E O 1 HETATM 9648 O O . HOH DA 5 . ? 35.750 -10.167 41.782 1.00 21.27 ? 2071 HOH E O 1 HETATM 9649 O O . HOH DA 5 . ? 41.589 -15.415 43.419 1.00 21.54 ? 2072 HOH E O 1 HETATM 9650 O O . HOH DA 5 . ? 34.702 -1.790 41.818 1.00 7.40 ? 2073 HOH E O 1 HETATM 9651 O O . HOH DA 5 . ? 32.713 -0.139 40.556 1.00 12.03 ? 2074 HOH E O 1 HETATM 9652 O O . HOH DA 5 . ? 34.761 2.513 41.330 1.00 13.37 ? 2075 HOH E O 1 HETATM 9653 O O . HOH DA 5 . ? 33.359 2.955 47.540 1.00 8.11 ? 2076 HOH E O 1 HETATM 9654 O O . HOH DA 5 . ? 30.966 6.824 46.461 1.00 17.07 ? 2077 HOH E O 1 HETATM 9655 O O . HOH DA 5 . ? 65.555 3.776 25.069 1.00 30.49 ? 2078 HOH E O 1 HETATM 9656 O O . HOH DA 5 . ? 67.650 -5.337 27.979 1.00 31.31 ? 2079 HOH E O 1 HETATM 9657 O O . HOH DA 5 . ? 33.590 9.675 43.649 1.00 12.18 ? 2080 HOH E O 1 HETATM 9658 O O . HOH DA 5 . ? 34.485 7.472 36.671 1.00 15.83 ? 2081 HOH E O 1 HETATM 9659 O O . HOH DA 5 . ? 37.413 9.947 37.540 1.00 16.03 ? 2082 HOH E O 1 HETATM 9660 O O . HOH DA 5 . ? 32.038 6.236 37.716 1.00 27.03 ? 2083 HOH E O 1 HETATM 9661 O O . HOH DA 5 . ? 27.866 7.199 36.925 1.00 38.20 ? 2084 HOH E O 1 HETATM 9662 O O . HOH DA 5 . ? 38.063 5.966 38.949 1.00 13.03 ? 2085 HOH E O 1 HETATM 9663 O O . HOH DA 5 . ? 39.252 12.164 39.689 1.00 20.08 ? 2086 HOH E O 1 HETATM 9664 O O . HOH DA 5 . ? 37.447 -1.040 41.487 1.00 13.20 ? 2087 HOH E O 1 HETATM 9665 O O . HOH DA 5 . ? 47.850 16.783 48.215 1.00 31.66 ? 2088 HOH E O 1 HETATM 9666 O O . HOH DA 5 . ? 44.373 0.714 47.115 1.00 9.82 ? 2089 HOH E O 1 HETATM 9667 O O . HOH DA 5 . ? 44.534 4.556 47.215 1.00 18.59 ? 2090 HOH E O 1 HETATM 9668 O O . HOH DA 5 . ? 47.123 2.073 46.611 1.00 8.00 ? 2091 HOH E O 1 HETATM 9669 O O . HOH DA 5 . ? 51.865 15.564 52.415 1.00 42.79 ? 2092 HOH E O 1 HETATM 9670 O O . HOH DA 5 . ? 47.692 18.255 51.431 1.00 35.68 ? 2093 HOH E O 1 HETATM 9671 O O . HOH DA 5 . ? 43.410 16.583 52.640 1.00 25.40 ? 2094 HOH E O 1 HETATM 9672 O O . HOH DA 5 . ? 52.754 4.711 43.951 1.00 7.60 ? 2095 HOH E O 1 HETATM 9673 O O . HOH DA 5 . ? 59.294 7.122 47.088 1.00 15.64 ? 2096 HOH E O 1 HETATM 9674 O O . HOH DA 5 . ? 36.711 -16.255 48.628 1.00 30.16 ? 2097 HOH E O 1 HETATM 9675 O O . HOH DA 5 . ? 65.077 3.339 44.991 1.00 16.92 ? 2098 HOH E O 1 HETATM 9676 O O . HOH DA 5 . ? 63.936 1.366 48.574 1.00 17.39 ? 2099 HOH E O 1 HETATM 9677 O O . HOH DA 5 . ? 66.719 6.667 44.154 1.00 28.13 ? 2100 HOH E O 1 HETATM 9678 O O . HOH DA 5 . ? 66.446 9.384 47.977 1.00 35.90 ? 2101 HOH E O 1 HETATM 9679 O O . HOH DA 5 . ? 65.239 4.002 52.589 1.00 31.39 ? 2102 HOH E O 1 HETATM 9680 O O . HOH DA 5 . ? 61.282 8.694 48.317 1.00 23.88 ? 2103 HOH E O 1 HETATM 9681 O O . HOH DA 5 . ? 60.452 9.749 41.455 1.00 18.00 ? 2104 HOH E O 1 HETATM 9682 O O . HOH DA 5 . ? 63.677 8.808 40.623 1.00 34.39 ? 2105 HOH E O 1 HETATM 9683 O O . HOH DA 5 . ? 65.442 2.052 38.989 1.00 18.14 ? 2106 HOH E O 1 HETATM 9684 O O . HOH DA 5 . ? 66.423 6.862 41.864 1.00 20.39 ? 2107 HOH E O 1 HETATM 9685 O O . HOH DA 5 . ? 58.828 9.502 45.898 1.00 29.16 ? 2108 HOH E O 1 HETATM 9686 O O . HOH DA 5 . ? 59.936 5.508 39.746 1.00 9.42 ? 2109 HOH E O 1 HETATM 9687 O O . HOH DA 5 . ? 55.381 11.521 40.582 1.00 46.02 ? 2110 HOH E O 1 HETATM 9688 O O . HOH DA 5 . ? 56.489 12.498 44.485 1.00 36.05 ? 2111 HOH E O 1 HETATM 9689 O O . HOH DA 5 . ? 54.545 9.154 37.206 1.00 11.36 ? 2112 HOH E O 1 HETATM 9690 O O . HOH DA 5 . ? 43.098 4.625 34.425 1.00 26.61 ? 2113 HOH E O 1 HETATM 9691 O O . HOH DA 5 . ? 43.985 11.429 38.978 1.00 18.65 ? 2114 HOH E O 1 HETATM 9692 O O . HOH DA 5 . ? 41.446 -7.642 62.312 1.00 36.97 ? 2115 HOH E O 1 HETATM 9693 O O . HOH DA 5 . ? 36.876 -1.187 38.772 1.00 14.03 ? 2116 HOH E O 1 HETATM 9694 O O . HOH DA 5 . ? 36.417 4.011 38.357 1.00 24.15 ? 2117 HOH E O 1 HETATM 9695 O O . HOH DA 5 . ? 42.499 10.139 36.260 1.00 31.11 ? 2118 HOH E O 1 HETATM 9696 O O . HOH DA 5 . ? 46.207 10.329 36.234 1.00 36.22 ? 2119 HOH E O 1 HETATM 9697 O O . HOH DA 5 . ? 43.367 -3.933 63.118 1.00 33.13 ? 2120 HOH E O 1 HETATM 9698 O O . HOH DA 5 . ? 38.515 -11.798 60.828 1.00 33.49 ? 2121 HOH E O 1 HETATM 9699 O O . HOH DA 5 . ? 36.358 11.514 33.474 1.00 36.63 ? 2122 HOH E O 1 HETATM 9700 O O . HOH DA 5 . ? 28.551 -15.447 51.663 1.00 34.30 ? 2123 HOH E O 1 HETATM 9701 O O . HOH DA 5 . ? 34.886 6.769 31.882 1.00 35.96 ? 2124 HOH E O 1 HETATM 9702 O O . HOH DA 5 . ? 36.352 2.455 28.379 1.00 26.34 ? 2125 HOH E O 1 HETATM 9703 O O . HOH DA 5 . ? 39.381 8.910 28.337 1.00 39.63 ? 2126 HOH E O 1 HETATM 9704 O O . HOH DA 5 . ? 50.464 10.629 36.096 1.00 36.48 ? 2127 HOH E O 1 HETATM 9705 O O . HOH DA 5 . ? 54.354 9.351 33.349 1.00 30.83 ? 2128 HOH E O 1 HETATM 9706 O O . HOH DA 5 . ? 59.543 10.305 33.458 1.00 35.99 ? 2129 HOH E O 1 HETATM 9707 O O . HOH DA 5 . ? 61.717 7.627 39.578 1.00 18.95 ? 2130 HOH E O 1 HETATM 9708 O O . HOH DA 5 . ? 62.826 8.044 32.220 1.00 22.84 ? 2131 HOH E O 1 HETATM 9709 O O . HOH DA 5 . ? 59.263 13.194 38.165 1.00 46.76 ? 2132 HOH E O 1 HETATM 9710 O O . HOH DA 5 . ? 58.734 3.538 28.567 1.00 11.30 ? 2133 HOH E O 1 HETATM 9711 O O . HOH DA 5 . ? 54.902 4.828 28.771 1.00 22.82 ? 2134 HOH E O 1 HETATM 9712 O O . HOH DA 5 . ? 54.461 7.928 30.679 1.00 17.21 ? 2135 HOH E O 1 HETATM 9713 O O . HOH DA 5 . ? 50.756 5.928 27.631 1.00 35.58 ? 2136 HOH E O 1 HETATM 9714 O O . HOH DA 5 . ? 49.138 3.479 26.957 1.00 11.00 ? 2137 HOH E O 1 HETATM 9715 O O . HOH DA 5 . ? 43.908 3.776 26.675 1.00 25.82 ? 2138 HOH E O 1 HETATM 9716 O O . HOH DA 5 . ? 46.951 3.801 25.331 1.00 17.43 ? 2139 HOH E O 1 HETATM 9717 O O . HOH DA 5 . ? 48.139 6.601 29.323 1.00 32.74 ? 2140 HOH E O 1 HETATM 9718 O O . HOH DA 5 . ? 33.356 0.950 30.684 1.00 28.15 ? 2141 HOH E O 1 HETATM 9719 O O . HOH DA 5 . ? 34.365 -5.806 32.420 1.00 31.82 ? 2142 HOH E O 1 HETATM 9720 O O . HOH DA 5 . ? 29.556 -5.084 31.122 1.00 49.07 ? 2143 HOH E O 1 HETATM 9721 O O . HOH DA 5 . ? 33.252 0.086 37.319 1.00 20.48 ? 2144 HOH E O 1 HETATM 9722 O O . HOH DA 5 . ? 29.543 4.163 33.770 1.00 36.60 ? 2145 HOH E O 1 HETATM 9723 O O . HOH DA 5 . ? 31.305 -5.012 35.139 1.00 18.16 ? 2146 HOH E O 1 HETATM 9724 O O . HOH DA 5 . ? 26.804 0.652 34.416 1.00 26.61 ? 2147 HOH E O 1 HETATM 9725 O O . HOH DA 5 . ? 25.076 3.187 38.360 1.00 27.56 ? 2148 HOH E O 1 HETATM 9726 O O . HOH DA 5 . ? 26.888 -4.156 39.990 1.00 26.17 ? 2149 HOH E O 1 HETATM 9727 O O . HOH DA 5 . ? 34.309 -2.224 38.367 1.00 16.00 ? 2150 HOH E O 1 HETATM 9728 O O . HOH DA 5 . ? 31.227 -7.904 38.494 1.00 25.30 ? 2151 HOH E O 1 HETATM 9729 O O . HOH DA 5 . ? 33.440 -5.438 36.824 1.00 15.64 ? 2152 HOH E O 1 HETATM 9730 O O . HOH DA 5 . ? 34.576 -10.014 39.207 1.00 23.25 ? 2153 HOH E O 1 HETATM 9731 O O . HOH DA 5 . ? 40.926 -10.981 35.534 1.00 7.08 ? 2154 HOH E O 1 HETATM 9732 O O . HOH DA 5 . ? 53.235 -9.139 30.358 1.00 8.36 ? 2155 HOH E O 1 HETATM 9733 O O . HOH DA 5 . ? 49.739 -11.996 32.083 1.00 16.99 ? 2156 HOH E O 1 HETATM 9734 O O . HOH DA 5 . ? 61.028 -8.653 23.127 1.00 28.95 ? 2157 HOH E O 1 HETATM 9735 O O . HOH DA 5 . ? 64.882 -6.828 25.652 1.00 29.81 ? 2158 HOH E O 1 HETATM 9736 O O . HOH DA 5 . ? 60.884 -10.581 24.877 1.00 34.32 ? 2159 HOH E O 1 HETATM 9737 O O . HOH DA 5 . ? 47.101 -4.183 28.877 1.00 10.19 ? 2160 HOH E O 1 HETATM 9738 O O . HOH DA 5 . ? 49.636 -14.255 29.776 1.00 26.48 ? 2161 HOH E O 1 HETATM 9739 O O . HOH DA 5 . ? 53.324 -10.684 28.118 1.00 18.49 ? 2162 HOH E O 1 HETATM 9740 O O . HOH DA 5 . ? 46.186 -7.696 28.155 1.00 10.60 ? 2163 HOH E O 1 HETATM 9741 O O . HOH DA 5 . ? 35.575 -7.450 31.325 1.00 30.96 ? 2164 HOH E O 1 HETATM 9742 O O . HOH DA 5 . ? 33.742 -8.063 32.539 1.00 27.70 ? 2165 HOH E O 1 HETATM 9743 O O . HOH DA 5 . ? 39.754 -15.237 28.525 1.00 29.35 ? 2166 HOH E O 1 HETATM 9744 O O . HOH DA 5 . ? 46.882 -9.793 26.692 1.00 11.65 ? 2167 HOH E O 1 HETATM 9745 O O . HOH DA 5 . ? 55.069 3.362 26.484 1.00 27.57 ? 2168 HOH E O 1 HETATM 9746 O O . HOH DA 5 . ? 63.035 1.340 28.513 1.00 18.31 ? 2169 HOH E O 1 HETATM 9747 O O . HOH DA 5 . ? 64.099 0.994 26.121 1.00 29.52 ? 2170 HOH E O 1 HETATM 9748 O O . HOH DA 5 . ? 65.351 -1.327 25.608 1.00 30.54 ? 2171 HOH E O 1 HETATM 9749 O O . HOH DA 5 . ? 62.079 -2.518 20.832 1.00 31.10 ? 2172 HOH E O 1 HETATM 9750 O O . HOH DA 5 . ? 62.123 0.050 24.193 1.00 34.71 ? 2173 HOH E O 1 HETATM 9751 O O . HOH DA 5 . ? 62.309 -5.531 20.930 1.00 27.83 ? 2174 HOH E O 1 HETATM 9752 O O . HOH DA 5 . ? 67.772 -5.183 30.601 1.00 21.03 ? 2175 HOH E O 1 HETATM 9753 O O . HOH DA 5 . ? 66.058 -0.643 38.947 1.00 26.35 ? 2176 HOH E O 1 HETATM 9754 O O . HOH DA 5 . ? 68.726 -3.407 44.198 1.00 36.43 ? 2177 HOH E O 1 HETATM 9755 O O . HOH DA 5 . ? 69.619 -0.945 45.252 1.00 48.25 ? 2178 HOH E O 1 HETATM 9756 O O . HOH DA 5 . ? 65.457 1.637 50.958 1.00 31.22 ? 2179 HOH E O 1 HETATM 9757 O O . HOH DA 5 . ? 61.093 -3.312 51.478 1.00 31.75 ? 2180 HOH E O 1 HETATM 9758 O O . HOH DA 5 . ? 58.069 -2.981 52.820 1.00 30.59 ? 2181 HOH E O 1 HETATM 9759 O O . HOH DA 5 . ? 46.240 8.660 48.700 1.00 6.70 ? 2182 HOH E O 1 HETATM 9760 O O . HOH DA 5 . ? 49.768 10.784 47.103 1.00 8.52 ? 2183 HOH E O 1 HETATM 9761 O O . HOH DA 5 . ? 49.803 15.580 46.489 1.00 34.59 ? 2184 HOH E O 1 HETATM 9762 O O . HOH DA 5 . ? 48.929 13.433 44.804 1.00 12.87 ? 2185 HOH E O 1 HETATM 9763 O O . HOH DA 5 . ? 51.791 14.668 47.536 1.00 22.90 ? 2186 HOH E O 1 HETATM 9764 O O . HOH DA 5 . ? 56.916 10.862 53.977 1.00 34.45 ? 2187 HOH E O 1 HETATM 9765 O O . HOH DA 5 . ? 60.665 9.542 50.980 1.00 22.31 ? 2188 HOH E O 1 HETATM 9766 O O . HOH DA 5 . ? 52.948 7.053 56.063 1.00 39.21 ? 2189 HOH E O 1 HETATM 9767 O O . HOH DA 5 . ? 50.563 11.460 54.134 1.00 16.81 ? 2190 HOH E O 1 HETATM 9768 O O . HOH DA 5 . ? 53.562 11.065 55.057 1.00 29.76 ? 2191 HOH E O 1 HETATM 9769 O O . HOH DA 5 . ? 60.427 16.457 50.759 1.00 33.53 ? 2192 HOH E O 1 HETATM 9770 O O . HOH DA 5 . ? 49.899 14.006 52.521 1.00 32.01 ? 2193 HOH E O 1 HETATM 9771 O O . HOH DA 5 . ? 47.431 15.404 52.328 1.00 31.00 ? 2194 HOH E O 1 HETATM 9772 O O . HOH DA 5 . ? 45.700 16.008 44.308 1.00 38.27 ? 2195 HOH E O 1 HETATM 9773 O O . HOH DA 5 . ? 45.194 16.219 48.660 1.00 19.28 ? 2196 HOH E O 1 HETATM 9774 O O . HOH DA 5 . ? 44.915 15.012 50.875 1.00 13.68 ? 2197 HOH E O 1 HETATM 9775 O O . HOH DA 5 . ? 34.842 13.099 51.764 1.00 23.76 ? 2198 HOH E O 1 HETATM 9776 O O . HOH DA 5 . ? 40.493 12.553 42.242 1.00 16.01 ? 2199 HOH E O 1 HETATM 9777 O O . HOH DA 5 . ? 45.210 13.272 41.006 1.00 27.94 ? 2200 HOH E O 1 HETATM 9778 O O . HOH DA 5 . ? 41.686 -16.691 46.003 1.00 18.25 ? 2201 HOH E O 1 HETATM 9779 O O . HOH DA 5 . ? 41.131 -16.473 49.311 1.00 16.78 ? 2202 HOH E O 1 HETATM 9780 O O . HOH DA 5 . ? 37.176 -15.628 46.259 1.00 27.88 ? 2203 HOH E O 1 HETATM 9781 O O . HOH DA 5 . ? 56.276 -16.741 40.085 1.00 22.96 ? 2204 HOH E O 1 HETATM 9782 O O . HOH DA 5 . ? 59.715 -17.451 39.001 1.00 38.00 ? 2205 HOH E O 1 HETATM 9783 O O . HOH DA 5 . ? 54.350 -18.312 35.549 1.00 31.90 ? 2206 HOH E O 1 HETATM 9784 O O . HOH DA 5 . ? 53.869 -16.402 30.618 1.00 22.80 ? 2207 HOH E O 1 HETATM 9785 O O . HOH DA 5 . ? 43.042 -19.808 29.326 1.00 31.49 ? 2208 HOH E O 1 HETATM 9786 O O . HOH DA 5 . ? 42.386 -22.221 33.711 1.00 20.88 ? 2209 HOH E O 1 HETATM 9787 O O . HOH DA 5 . ? 45.964 -22.755 35.927 1.00 23.53 ? 2210 HOH E O 1 HETATM 9788 O O . HOH DA 5 . ? 47.054 -17.926 39.384 1.00 10.21 ? 2211 HOH E O 1 HETATM 9789 O O . HOH DA 5 . ? 50.045 -24.093 35.416 1.00 30.73 ? 2212 HOH E O 1 HETATM 9790 O O . HOH DA 5 . ? 42.044 -23.773 38.228 1.00 26.40 ? 2213 HOH E O 1 HETATM 9791 O O . HOH DA 5 . ? 33.052 -13.964 33.610 1.00 36.22 ? 2214 HOH E O 1 HETATM 9792 O O . HOH DA 5 . ? 34.940 -17.834 35.353 1.00 42.17 ? 2215 HOH E O 1 HETATM 9793 O O . HOH DA 5 . ? 40.730 -19.142 46.709 1.00 22.69 ? 2216 HOH E O 1 HETATM 9794 O O . HOH DA 5 . ? 44.067 -22.040 44.791 1.00 25.83 ? 2217 HOH E O 1 HETATM 9795 O O . HOH DA 5 . ? 46.755 -20.970 46.095 1.00 12.29 ? 2218 HOH E O 1 HETATM 9796 O O . HOH DA 5 . ? 53.103 -21.123 42.029 1.00 23.43 ? 2219 HOH E O 1 HETATM 9797 O O . HOH DA 5 . ? 54.846 -18.383 43.118 1.00 26.85 ? 2220 HOH E O 1 HETATM 9798 O O . HOH DA 5 . ? 52.648 -18.844 48.674 1.00 28.95 ? 2221 HOH E O 1 HETATM 9799 O O . HOH DA 5 . ? 54.234 -14.745 49.496 1.00 31.44 ? 2222 HOH E O 1 HETATM 9800 O O . HOH DA 5 . ? 58.438 -16.244 48.646 1.00 31.70 ? 2223 HOH E O 1 HETATM 9801 O O . HOH DA 5 . ? 52.666 -12.866 51.291 1.00 10.12 ? 2224 HOH E O 1 HETATM 9802 O O . HOH DA 5 . ? 47.928 -19.433 48.003 1.00 10.80 ? 2225 HOH E O 1 HETATM 9803 O O . HOH DA 5 . ? 50.583 -19.325 50.886 1.00 40.32 ? 2226 HOH E O 1 HETATM 9804 O O . HOH DA 5 . ? 47.653 -20.421 54.815 1.00 26.74 ? 2227 HOH E O 1 HETATM 9805 O O . HOH DA 5 . ? 48.985 -7.448 61.234 1.00 31.71 ? 2228 HOH E O 1 HETATM 9806 O O . HOH DA 5 . ? 44.228 -7.623 61.754 1.00 31.04 ? 2229 HOH E O 1 HETATM 9807 O O . HOH DA 5 . ? 47.754 -4.647 61.684 1.00 19.22 ? 2230 HOH E O 1 HETATM 9808 O O . HOH DA 5 . ? 46.160 -0.529 63.613 1.00 39.05 ? 2231 HOH E O 1 HETATM 9809 O O . HOH DA 5 . ? 44.049 0.989 63.305 1.00 26.00 ? 2232 HOH E O 1 HETATM 9810 O O . HOH DA 5 . ? 46.643 3.009 63.280 1.00 31.59 ? 2233 HOH E O 1 HETATM 9811 O O . HOH DA 5 . ? 40.465 0.196 62.422 1.00 35.05 ? 2234 HOH E O 1 HETATM 9812 O O . HOH DA 5 . ? 40.861 -3.530 62.004 1.00 18.91 ? 2235 HOH E O 1 HETATM 9813 O O . HOH DA 5 . ? 39.443 -5.830 61.507 1.00 14.82 ? 2236 HOH E O 1 HETATM 9814 O O . HOH DA 5 . ? 36.299 -11.330 59.219 1.00 28.69 ? 2237 HOH E O 1 HETATM 9815 O O . HOH DA 5 . ? 35.505 -7.412 61.651 1.00 34.24 ? 2238 HOH E O 1 HETATM 9816 O O . HOH DA 5 . ? 31.177 -14.802 53.190 1.00 35.00 ? 2239 HOH E O 1 HETATM 9817 O O . HOH DA 5 . ? 26.782 -11.874 46.584 1.00 26.87 ? 2240 HOH E O 1 HETATM 9818 O O . HOH DA 5 . ? 27.165 -13.562 49.992 1.00 21.67 ? 2241 HOH E O 1 HETATM 9819 O O . HOH DA 5 . ? 27.782 -9.796 44.421 1.00 24.57 ? 2242 HOH E O 1 HETATM 9820 O O . HOH DA 5 . ? 31.170 -10.703 42.022 1.00 31.50 ? 2243 HOH E O 1 HETATM 9821 O O . HOH DA 5 . ? 63.013 -12.374 30.423 1.00 26.06 ? 2244 HOH E O 1 HETATM 9822 O O . HOH DA 5 . ? 61.091 -18.457 33.085 1.00 17.55 ? 2245 HOH E O 1 HETATM 9823 O O . HOH DA 5 . ? 49.510 14.277 41.640 1.00 37.05 ? 2246 HOH E O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . HIS A 1 ? 0.3525 0.6234 0.2892 -0.0966 0.0834 -0.0171 1 HIS A N 2 C CA . HIS A 1 ? 0.3565 0.6043 0.2848 -0.0949 0.0773 -0.0201 1 HIS A CA 3 C C . HIS A 1 ? 0.3196 0.5312 0.2596 -0.1065 0.0856 -0.0006 1 HIS A C 4 O O . HIS A 1 ? 0.3260 0.5476 0.2760 -0.1209 0.0903 0.0003 1 HIS A O 5 C CB . HIS A 1 ? 0.3945 0.6518 0.3104 -0.0801 0.0585 -0.0396 1 HIS A CB 6 C CG . HIS A 1 ? 0.4360 0.6969 0.3483 -0.0627 0.0372 -0.0623 1 HIS A CG 7 N ND1 . HIS A 1 ? 0.4537 0.7152 0.3640 -0.0496 0.0298 -0.0762 1 HIS A ND1 8 C CD2 . HIS A 1 ? 0.4518 0.7149 0.3637 -0.0541 0.0257 -0.0692 1 HIS A CD2 9 C CE1 . HIS A 1 ? 0.4615 0.7228 0.3747 -0.0443 0.0240 -0.0758 1 HIS A CE1 10 N NE2 . HIS A 1 ? 0.4629 0.7243 0.3762 -0.0463 0.0248 -0.0731 1 HIS A NE2 11 N N . THR A 2 ? 0.2678 0.4230 0.2056 -0.0964 0.0945 0.0179 2 THR A N 12 C CA . THR A 2 ? 0.2322 0.3572 0.1870 -0.0756 0.0673 0.0255 2 THR A CA 13 C C . THR A 2 ? 0.1777 0.2653 0.1352 -0.0726 0.0348 0.0506 2 THR A C 14 O O . THR A 2 ? 0.1729 0.2364 0.1256 -0.0792 0.0293 0.0221 2 THR A O 15 C CB . THR A 2 ? 0.2611 0.3976 0.2248 -0.0428 0.0790 0.0064 2 THR A CB 16 O OG1 . THR A 2 ? 0.2973 0.4313 0.2541 -0.0316 0.0874 -0.0135 2 THR A OG1 17 C CG2 . THR A 2 ? 0.2587 0.4027 0.2320 -0.0280 0.0644 0.0160 2 THR A CG2 18 N N . ASP A 3 ? 0.1583 0.2210 0.1277 -0.0488 0.0183 0.0726 3 ASP A N 19 C CA . ASP A 3 ? 0.1546 0.1803 0.1298 -0.0488 -0.0194 0.0813 3 ASP A CA 20 C C . ASP A 3 ? 0.1223 0.1708 0.1186 -0.0641 -0.0249 0.0669 3 ASP A C 21 O O . ASP A 3 ? 0.1237 0.1940 0.1315 -0.0716 -0.0170 0.0651 3 ASP A O 22 C CB . ASP A 3 ? 0.1881 0.1650 0.1538 -0.0652 -0.0239 0.0790 3 ASP A CB 23 C CG . ASP A 3 ? 0.2089 0.1488 0.1796 -0.0606 -0.0315 0.0812 3 ASP A CG 24 O OD1 . ASP A 3 ? 0.2094 0.1421 0.1667 -0.0367 -0.0371 0.0692 3 ASP A OD1 25 O OD2 . ASP A 3 ? 0.2341 0.1700 0.1995 -0.0612 -0.0329 0.0811 3 ASP A OD2 26 N N . LEU A 4 ? 0.1025 0.1405 0.0976 -0.0419 -0.0080 0.0571 4 LEU A N 27 C CA . LEU A 4 ? 0.1067 0.1127 0.1039 -0.0412 -0.0041 0.0507 4 LEU A CA 28 C C . LEU A 4 ? 0.1135 0.0987 0.1121 -0.0307 -0.0017 0.0541 4 LEU A C 29 O O . LEU A 4 ? 0.1243 0.0989 0.0969 -0.0289 -0.0014 0.0511 4 LEU A O 30 C CB . LEU A 4 ? 0.1132 0.1186 0.1064 -0.0319 0.0103 0.0434 4 LEU A CB 31 C CG . LEU A 4 ? 0.1284 0.1527 0.1235 -0.0368 0.0192 0.0217 4 LEU A CG 32 C CD1 . LEU A 4 ? 0.1569 0.1793 0.1464 -0.0432 0.0144 0.0010 4 LEU A CD1 33 C CD2 . LEU A 4 ? 0.1397 0.1963 0.1384 0.0030 0.0222 0.0138 4 LEU A CD2 34 N N . SER A 5 ? 0.1244 0.1285 0.1321 -0.0178 -0.0136 0.0669 5 SER A N 35 C CA . SER A 5 ? 0.1385 0.1135 0.1513 -0.0257 -0.0206 0.0555 5 SER A CA 36 C C . SER A 5 ? 0.1387 0.1057 0.1473 -0.0393 -0.0186 0.0525 5 SER A C 37 O O . SER A 5 ? 0.1528 0.1245 0.1529 -0.0475 -0.0154 0.0653 5 SER A O 38 C CB . SER A 5 ? 0.1550 0.1265 0.1822 -0.0223 -0.0337 0.0670 5 SER A CB 39 O OG . SER A 5 ? 0.1632 0.1360 0.2072 -0.0081 -0.0459 0.0647 5 SER A OG 40 N N . GLY A 6 ? 0.1480 0.0967 0.1460 -0.0282 -0.0163 0.0377 6 GLY A N 41 C CA . GLY A 6 ? 0.1239 0.0898 0.1407 -0.0158 -0.0088 0.0337 6 GLY A CA 42 C C . GLY A 6 ? 0.1182 0.0860 0.1315 -0.0181 -0.0071 0.0404 6 GLY A C 43 O O . GLY A 6 ? 0.1333 0.1279 0.1216 -0.0105 -0.0026 0.0506 6 GLY A O 44 N N . LYS A 7 ? 0.1096 0.0938 0.1228 -0.0051 -0.0082 0.0324 7 LYS A N 45 C CA . LYS A 7 ? 0.0971 0.0973 0.1267 -0.0038 0.0026 0.0332 7 LYS A CA 46 C C . LYS A 7 ? 0.0888 0.0901 0.1052 -0.0043 0.0050 0.0292 7 LYS A C 47 O O . LYS A 7 ? 0.0936 0.1008 0.1188 -0.0200 -0.0019 0.0448 7 LYS A O 48 C CB . LYS A 7 ? 0.1093 0.1223 0.1696 -0.0099 0.0127 0.0433 7 LYS A CB 49 C CG . LYS A 7 ? 0.1371 0.1753 0.2137 -0.0193 0.0304 0.0434 7 LYS A CG 50 C CD . LYS A 7 ? 0.1867 0.2469 0.2465 -0.0127 0.0193 0.0360 7 LYS A CD 51 C CE . LYS A 7 ? 0.2261 0.3176 0.2771 -0.0051 0.0170 0.0273 7 LYS A CE 52 N NZ . LYS A 7 ? 0.2680 0.3693 0.3099 -0.0056 0.0273 0.0195 7 LYS A NZ 53 N N . VAL A 8 ? 0.0938 0.0889 0.0854 -0.0094 0.0130 0.0341 8 VAL A N 54 C CA . VAL A 8 ? 0.0929 0.1121 0.0551 -0.0103 0.0156 0.0057 8 VAL A CA 55 C C . VAL A 8 ? 0.0764 0.1074 0.0591 0.0008 0.0294 0.0102 8 VAL A C 56 O O . VAL A 8 ? 0.0862 0.0966 0.0733 -0.0064 0.0144 0.0049 8 VAL A O 57 C CB . VAL A 8 ? 0.1123 0.1567 0.0560 0.0038 0.0174 0.0236 8 VAL A CB 58 C CG1 . VAL A 8 ? 0.1448 0.2044 0.0709 0.0148 0.0164 0.0242 8 VAL A CG1 59 C CG2 . VAL A 8 ? 0.1180 0.1395 0.0638 -0.0120 0.0198 0.0390 8 VAL A CG2 60 N N . PHE A 9 ? 0.0705 0.0808 0.0615 -0.0043 0.0232 0.0003 9 PHE A N 61 C CA . PHE A 9 ? 0.0749 0.0830 0.0665 -0.0125 0.0251 0.0082 9 PHE A CA 62 C C . PHE A 9 ? 0.0827 0.0985 0.0592 0.0081 0.0191 0.0151 9 PHE A C 63 O O . PHE A 9 ? 0.0838 0.1129 0.0552 0.0172 0.0129 0.0227 9 PHE A O 64 C CB . PHE A 9 ? 0.0811 0.0993 0.0590 -0.0175 0.0124 -0.0018 9 PHE A CB 65 C CG . PHE A 9 ? 0.1007 0.1287 0.0532 -0.0145 0.0177 -0.0051 9 PHE A CG 66 C CD1 . PHE A 9 ? 0.1240 0.1830 0.0598 -0.0249 0.0197 0.0182 9 PHE A CD1 67 C CD2 . PHE A 9 ? 0.1137 0.1484 0.0602 0.0137 0.0189 0.0040 9 PHE A CD2 68 C CE1 . PHE A 9 ? 0.1455 0.1937 0.0583 -0.0130 0.0185 0.0199 9 PHE A CE1 69 C CE2 . PHE A 9 ? 0.1288 0.1530 0.0706 0.0106 0.0117 0.0244 9 PHE A CE2 70 C CZ . PHE A 9 ? 0.1467 0.1815 0.0657 -0.0123 0.0186 0.0307 9 PHE A CZ 71 N N . VAL A 10 ? 0.0730 0.1031 0.0581 0.0131 0.0158 0.0262 10 VAL A N 72 C CA . VAL A 10 ? 0.0797 0.1122 0.0533 0.0241 0.0199 0.0247 10 VAL A CA 73 C C . VAL A 10 ? 0.0830 0.0957 0.0469 0.0240 0.0190 0.0270 10 VAL A C 74 O O . VAL A 10 ? 0.0985 0.1044 0.0527 0.0141 0.0277 0.0033 10 VAL A O 75 C CB . VAL A 10 ? 0.1159 0.1247 0.0563 0.0526 0.0053 0.0225 10 VAL A CB 76 C CG1 . VAL A 10 ? 0.1273 0.1407 0.0508 0.0316 0.0036 0.0123 10 VAL A CG1 77 C CG2 . VAL A 10 ? 0.1232 0.1455 0.0758 0.0342 0.0068 0.0117 10 VAL A CG2 78 N N . PHE A 11 ? 0.0968 0.0997 0.0599 0.0218 0.0157 0.0168 11 PHE A N 79 C CA . PHE A 11 ? 0.1036 0.1140 0.0516 0.0196 0.0249 0.0141 11 PHE A CA 80 C C . PHE A 11 ? 0.0978 0.0908 0.0479 0.0301 0.0236 0.0011 11 PHE A C 81 O O . PHE A 11 ? 0.1082 0.1176 0.0492 0.0222 0.0242 0.0112 11 PHE A O 82 C CB . PHE A 11 ? 0.1159 0.1366 0.0450 0.0073 0.0251 0.0028 11 PHE A CB 83 C CG . PHE A 11 ? 0.1148 0.1356 0.0543 -0.0040 0.0143 0.0189 11 PHE A CG 84 C CD1 . PHE A 11 ? 0.0995 0.1659 0.0650 -0.0065 -0.0002 0.0347 11 PHE A CD1 85 C CD2 . PHE A 11 ? 0.1267 0.1452 0.0730 -0.0129 0.0172 0.0190 11 PHE A CD2 86 C CE1 . PHE A 11 ? 0.1151 0.1830 0.0878 -0.0093 -0.0009 0.0404 11 PHE A CE1 87 C CE2 . PHE A 11 ? 0.1333 0.1707 0.0810 -0.0407 0.0092 0.0243 11 PHE A CE2 88 C CZ . PHE A 11 ? 0.1376 0.1865 0.0815 -0.0380 0.0054 0.0440 11 PHE A CZ 89 N N . PRO A 12 ? 0.0956 0.1300 0.0592 0.0369 0.0258 0.0051 12 PRO A N 90 C CA . PRO A 12 ? 0.0973 0.1257 0.0691 0.0418 0.0163 0.0265 12 PRO A CA 91 C C . PRO A 12 ? 0.1111 0.1236 0.0744 0.0355 0.0152 0.0219 12 PRO A C 92 O O . PRO A 12 ? 0.1242 0.1279 0.0685 0.0317 0.0060 0.0122 12 PRO A O 93 C CB . PRO A 12 ? 0.1035 0.1450 0.0717 0.0257 0.0150 0.0292 12 PRO A CB 94 C CG . PRO A 12 ? 0.0950 0.1495 0.0770 0.0275 0.0273 0.0317 12 PRO A CG 95 C CD . PRO A 12 ? 0.0895 0.1465 0.0643 0.0464 0.0244 0.0163 12 PRO A CD 96 N N . ARG A 13 ? 0.1365 0.1168 0.0841 0.0182 0.0083 0.0124 13 ARG A N 97 C CA . ARG A 13 ? 0.1496 0.1230 0.1144 0.0079 -0.0020 0.0038 13 ARG A CA 98 C C . ARG A 13 ? 0.1632 0.1213 0.1152 -0.0007 -0.0106 0.0055 13 ARG A C 99 O O . ARG A 13 ? 0.1874 0.1277 0.1160 -0.0131 -0.0233 0.0209 13 ARG A O 100 C CB . ARG A 13 ? 0.1580 0.1257 0.1288 0.0169 0.0031 0.0150 13 ARG A CB 101 C CG . ARG A 13 ? 0.1759 0.1641 0.1565 0.0406 0.0169 0.0161 13 ARG A CG 102 C CD . ARG A 13 ? 0.1992 0.1723 0.1740 0.0674 0.0203 0.0168 13 ARG A CD 103 N NE . ARG A 13 ? 0.2047 0.1725 0.1986 0.0896 0.0205 0.0101 13 ARG A NE 104 C CZ . ARG A 13 ? 0.2213 0.2152 0.2261 0.1021 0.0103 0.0279 13 ARG A CZ 105 N NH1 . ARG A 13 ? 0.2302 0.2425 0.2436 0.1074 -0.0011 0.0558 13 ARG A NH1 106 N NH2 . ARG A 13 ? 0.2190 0.2222 0.2252 0.1012 0.0120 0.0182 13 ARG A NH2 107 N N . GLU A 14 ? 0.1608 0.1237 0.1262 0.0040 -0.0010 0.0144 14 GLU A N 108 C CA . GLU A 14 ? 0.1593 0.1353 0.1493 0.0123 -0.0087 0.0094 14 GLU A CA 109 C C . GLU A 14 ? 0.1627 0.1369 0.1558 0.0027 -0.0039 -0.0054 14 GLU A C 110 O O . GLU A 14 ? 0.1801 0.1537 0.1695 0.0070 -0.0016 -0.0124 14 GLU A O 111 C CB . GLU A 14 ? 0.1861 0.1879 0.1828 0.0278 -0.0208 0.0266 14 GLU A CB 112 C CG . GLU A 14 ? 0.2262 0.2242 0.2153 0.0383 -0.0242 0.0568 14 GLU A CG 113 C CD . GLU A 14 ? 0.2663 0.2666 0.2554 0.0488 -0.0207 0.0767 14 GLU A CD 114 O OE1 . GLU A 14 ? 0.2562 0.2789 0.2536 0.0444 -0.0243 0.0964 14 GLU A OE1 115 O OE2 . GLU A 14 ? 0.3070 0.3022 0.2943 0.0645 -0.0035 0.0651 14 GLU A OE2 116 N N . SER A 15 ? 0.1655 0.1155 0.1496 0.0048 0.0062 -0.0223 15 SER A N 117 C CA . SER A 15 ? 0.1715 0.1384 0.1676 0.0118 -0.0032 -0.0312 15 SER A CA 118 C C . SER A 15 ? 0.1612 0.1272 0.1789 0.0338 -0.0191 -0.0467 15 SER A C 119 O O . SER A 15 ? 0.1506 0.1085 0.1907 0.0252 -0.0164 -0.0249 15 SER A O 120 C CB . SER A 15 ? 0.1868 0.1759 0.1671 0.0059 -0.0011 -0.0231 15 SER A CB 121 O OG . SER A 15 ? 0.1954 0.1906 0.1670 -0.0107 -0.0041 -0.0331 15 SER A OG 122 N N . VAL A 16 ? 0.1945 0.1456 0.1868 0.0468 -0.0267 -0.0745 16 VAL A N 123 C CA . VAL A 16 ? 0.2304 0.1739 0.2118 0.0673 -0.0340 -0.0712 16 VAL A CA 124 C C . VAL A 16 ? 0.2646 0.2111 0.2078 0.0805 -0.0244 -0.0621 16 VAL A C 125 O O . VAL A 16 ? 0.3028 0.2809 0.2177 0.0804 -0.0365 -0.0422 16 VAL A O 126 C CB . VAL A 16 ? 0.2502 0.1949 0.2397 0.0504 -0.0307 -0.0798 16 VAL A CB 127 C CG1 . VAL A 16 ? 0.2433 0.1652 0.2514 0.0517 -0.0304 -0.0660 16 VAL A CG1 128 C CG2 . VAL A 16 ? 0.2725 0.2385 0.2633 0.0436 -0.0189 -0.0750 16 VAL A CG2 129 N N . THR A 17 ? 0.2694 0.1897 0.2021 0.0811 0.0092 -0.0419 17 THR A N 130 C CA . THR A 17 ? 0.2738 0.2101 0.2114 0.0675 0.0234 -0.0242 17 THR A CA 131 C C . THR A 17 ? 0.2431 0.1768 0.1835 0.0499 0.0231 -0.0071 17 THR A C 132 O O . THR A 17 ? 0.2746 0.1939 0.1937 0.0420 0.0369 -0.0045 17 THR A O 133 C CB . THR A 17 ? 0.2894 0.2480 0.2410 0.0945 0.0643 -0.0335 17 THR A CB 134 O OG1 . THR A 17 ? 0.2783 0.2568 0.2517 0.1050 0.0680 -0.0190 17 THR A OG1 135 C CG2 . THR A 17 ? 0.3177 0.2856 0.2581 0.0798 0.0732 -0.0355 17 THR A CG2 136 N N . ASP A 18 ? 0.1898 0.1409 0.1498 0.0270 0.0163 -0.0070 18 ASP A N 137 C CA . ASP A 18 ? 0.1602 0.1513 0.1320 0.0157 0.0189 -0.0146 18 ASP A CA 138 C C . ASP A 18 ? 0.1418 0.1459 0.1152 0.0269 0.0225 -0.0019 18 ASP A C 139 O O . ASP A 18 ? 0.1278 0.1607 0.1165 0.0159 0.0186 -0.0038 18 ASP A O 140 C CB . ASP A 18 ? 0.1508 0.1673 0.1361 0.0023 0.0099 -0.0219 18 ASP A CB 141 C CG . ASP A 18 ? 0.1594 0.1779 0.1515 0.0100 0.0227 -0.0155 18 ASP A CG 142 O OD1 . ASP A 18 ? 0.1499 0.2036 0.1439 0.0151 0.0318 -0.0274 18 ASP A OD1 143 O OD2 . ASP A 18 ? 0.1659 0.1844 0.1676 0.0084 0.0206 0.0076 18 ASP A OD2 144 N N . HIS A 19 ? 0.1338 0.1321 0.1002 0.0397 0.0249 -0.0001 19 HIS A N 145 C CA . HIS A 19 ? 0.1277 0.1368 0.0872 0.0158 0.0254 -0.0020 19 HIS A CA 146 C C . HIS A 19 ? 0.1175 0.1616 0.0790 0.0113 0.0275 -0.0056 19 HIS A C 147 O O . HIS A 19 ? 0.1078 0.1758 0.1001 0.0135 0.0210 -0.0007 19 HIS A O 148 C CB . HIS A 19 ? 0.1603 0.1437 0.1006 0.0084 0.0240 -0.0140 19 HIS A CB 149 C CG . HIS A 19 ? 0.1944 0.1601 0.1192 0.0017 0.0274 -0.0279 19 HIS A CG 150 N ND1 . HIS A 19 ? 0.2131 0.1955 0.1257 0.0121 0.0478 -0.0542 19 HIS A ND1 151 C CD2 . HIS A 19 ? 0.2072 0.1779 0.1386 -0.0075 0.0350 -0.0414 19 HIS A CD2 152 C CE1 . HIS A 19 ? 0.2192 0.2096 0.1419 0.0036 0.0511 -0.0470 19 HIS A CE1 153 N NE2 . HIS A 19 ? 0.2162 0.2126 0.1512 -0.0015 0.0382 -0.0493 19 HIS A NE2 154 N N . VAL A 20 ? 0.1093 0.1441 0.0636 0.0065 0.0273 -0.0062 20 VAL A N 155 C CA . VAL A 20 ? 0.0934 0.1568 0.0710 0.0082 0.0225 -0.0017 20 VAL A CA 156 C C . VAL A 20 ? 0.0953 0.1709 0.0739 0.0015 0.0269 -0.0214 20 VAL A C 157 O O . VAL A 20 ? 0.1009 0.1848 0.0706 0.0108 0.0213 -0.0016 20 VAL A O 158 C CB . VAL A 20 ? 0.1107 0.1637 0.0812 0.0068 0.0073 -0.0058 20 VAL A CB 159 C CG1 . VAL A 20 ? 0.1382 0.1866 0.1026 0.0142 -0.0060 -0.0097 20 VAL A CG1 160 C CG2 . VAL A 20 ? 0.1222 0.1672 0.0782 0.0252 0.0081 0.0025 20 VAL A CG2 161 N N . ASN A 21 ? 0.1040 0.1931 0.0738 -0.0076 0.0246 -0.0244 21 ASN A N 162 C CA . ASN A 21 ? 0.1166 0.2207 0.0880 -0.0124 0.0327 -0.0310 21 ASN A CA 163 C C . ASN A 21 ? 0.1139 0.2232 0.0933 -0.0158 0.0232 -0.0029 21 ASN A C 164 O O . ASN A 21 ? 0.1169 0.2360 0.0919 -0.0125 0.0181 -0.0003 21 ASN A O 165 C CB . ASN A 21 ? 0.1481 0.2473 0.1011 -0.0165 0.0447 -0.0460 21 ASN A CB 166 C CG . ASN A 21 ? 0.1887 0.2876 0.1304 -0.0033 0.0487 -0.0557 21 ASN A CG 167 O OD1 . ASN A 21 ? 0.2111 0.2722 0.1396 -0.0116 0.0422 -0.0408 21 ASN A OD1 168 N ND2 . ASN A 21 ? 0.2117 0.3185 0.1574 0.0079 0.0576 -0.0613 21 ASN A ND2 169 N N . LEU A 22 ? 0.1182 0.2154 0.1005 -0.0218 0.0162 0.0046 22 LEU A N 170 C CA . LEU A 22 ? 0.1243 0.2116 0.1038 -0.0182 0.0090 0.0236 22 LEU A CA 171 C C . LEU A 22 ? 0.1486 0.2476 0.1106 -0.0201 0.0009 0.0481 22 LEU A C 172 O O . LEU A 22 ? 0.1562 0.2902 0.1221 -0.0306 0.0013 0.0457 22 LEU A O 173 C CB . LEU A 22 ? 0.1064 0.2032 0.1266 -0.0084 -0.0049 0.0263 22 LEU A CB 174 C CG . LEU A 22 ? 0.1121 0.1829 0.1486 -0.0106 -0.0168 0.0101 22 LEU A CG 175 C CD1 . LEU A 22 ? 0.1136 0.1881 0.1547 -0.0050 -0.0133 0.0036 22 LEU A CD1 176 C CD2 . LEU A 22 ? 0.1249 0.1922 0.1697 -0.0094 -0.0279 0.0072 22 LEU A CD2 177 N N . ILE A 23 ? 0.1767 0.2639 0.1027 -0.0358 0.0076 0.0595 23 ILE A N 178 C CA . ILE A 23 ? 0.2102 0.3127 0.1222 -0.0456 0.0275 0.0468 23 ILE A CA 179 C C . ILE A 23 ? 0.2232 0.3302 0.1232 -0.0479 0.0066 0.0661 23 ILE A C 180 O O . ILE A 23 ? 0.2252 0.3257 0.1145 -0.0328 -0.0106 0.0743 23 ILE A O 181 C CB . ILE A 23 ? 0.2346 0.3505 0.1447 -0.0214 0.0642 0.0386 23 ILE A CB 182 C CG1 . ILE A 23 ? 0.2476 0.3862 0.1707 0.0057 0.0872 0.0270 23 ILE A CG1 183 C CG2 . ILE A 23 ? 0.2543 0.3573 0.1479 -0.0336 0.0680 0.0203 23 ILE A CG2 184 C CD1 . ILE A 23 ? 0.2643 0.4112 0.1946 0.0181 0.0827 0.0165 23 ILE A CD1 185 N N . THR A 24 ? 0.2504 0.3656 0.1581 -0.0381 -0.0022 0.0756 24 THR A N 186 C CA . THR A 24 ? 0.2800 0.4209 0.2026 -0.0247 -0.0151 0.0600 24 THR A CA 187 C C . THR A 24 ? 0.3096 0.5072 0.2442 -0.0148 -0.0005 0.0694 24 THR A C 188 O O . THR A 24 ? 0.3158 0.5196 0.2382 0.0008 0.0026 0.0597 24 THR A O 189 C CB . THR A 24 ? 0.2919 0.3935 0.2082 -0.0183 -0.0167 0.0403 24 THR A CB 190 O OG1 . THR A 24 ? 0.2996 0.3730 0.1979 -0.0174 -0.0179 0.0289 24 THR A OG1 191 C CG2 . THR A 24 ? 0.2889 0.4016 0.2310 -0.0270 -0.0061 0.0421 24 THR A CG2 192 N N . PRO A 25 ? 0.3385 0.5779 0.2865 -0.0175 0.0025 0.0827 25 PRO A N 193 C CA . PRO A 25 ? 0.3592 0.6252 0.3073 -0.0137 0.0171 0.0953 25 PRO A CA 194 C C . PRO A 25 ? 0.3747 0.6738 0.3148 0.0038 0.0340 0.1102 25 PRO A C 195 O O . PRO A 25 ? 0.3861 0.6836 0.3142 0.0086 0.0278 0.1170 25 PRO A O 196 C CB . PRO A 25 ? 0.3595 0.6148 0.3099 -0.0188 0.0124 0.0952 25 PRO A CB 197 C CG . PRO A 25 ? 0.3563 0.6051 0.3060 -0.0230 0.0080 0.0865 25 PRO A CG 198 C CD . PRO A 25 ? 0.3496 0.5927 0.3030 -0.0207 0.0002 0.0806 25 PRO A CD 199 N N . LEU A 26 ? 0.3770 0.7068 0.3203 0.0081 0.0593 0.1122 26 LEU A N 200 C CA . LEU A 26 ? 0.3821 0.7275 0.3288 0.0125 0.0833 0.1003 26 LEU A CA 201 C C . LEU A 26 ? 0.3934 0.7257 0.3315 0.0352 0.1116 0.1009 26 LEU A C 202 O O . LEU A 26 ? 0.3942 0.7347 0.3333 0.0484 0.1212 0.1074 26 LEU A O 203 C CB . LEU A 26 ? 0.3791 0.7405 0.3384 0.0011 0.0775 0.0958 26 LEU A CB 204 C CG . LEU A 26 ? 0.3806 0.7483 0.3501 -0.0045 0.0738 0.0869 26 LEU A CG 205 C CD1 . LEU A 26 ? 0.3788 0.7528 0.3514 -0.0081 0.0690 0.0779 26 LEU A CD1 206 C CD2 . LEU A 26 ? 0.3817 0.7486 0.3557 -0.0060 0.0772 0.0860 26 LEU A CD2 207 N N . GLU A 27 ? 0.4055 0.7109 0.3300 0.0432 0.1142 0.0962 27 GLU A N 208 C CA . GLU A 27 ? 0.4275 0.6953 0.3310 0.0472 0.1132 0.0875 27 GLU A CA 209 C C . GLU A 27 ? 0.4174 0.6499 0.3057 0.0477 0.1073 0.0895 27 GLU A C 210 O O . GLU A 27 ? 0.4327 0.6513 0.3153 0.0620 0.0942 0.0957 27 GLU A O 211 C CB . GLU A 27 ? 0.4583 0.7248 0.3572 0.0455 0.1158 0.0783 27 GLU A CB 212 C CG . GLU A 27 ? 0.4883 0.7452 0.3808 0.0451 0.1171 0.0731 27 GLU A CG 213 C CD . GLU A 27 ? 0.5189 0.7604 0.4014 0.0421 0.1076 0.0740 27 GLU A CD 214 O OE1 . GLU A 27 ? 0.5235 0.7590 0.4091 0.0361 0.1067 0.0813 27 GLU A OE1 215 O OE2 . GLU A 27 ? 0.5331 0.7683 0.4056 0.0438 0.1019 0.0663 27 GLU A OE2 216 N N . LYS A 28 ? 0.3849 0.6007 0.2739 0.0287 0.1227 0.0895 28 LYS A N 217 C CA . LYS A 28 ? 0.3682 0.5528 0.2516 -0.0087 0.1279 0.0741 28 LYS A CA 218 C C . LYS A 28 ? 0.3335 0.4799 0.2076 -0.0165 0.1266 0.0430 28 LYS A C 219 O O . LYS A 28 ? 0.3262 0.4721 0.2143 -0.0384 0.1180 0.0317 28 LYS A O 220 C CB . LYS A 28 ? 0.3891 0.5780 0.2822 -0.0187 0.1279 0.0744 28 LYS A CB 221 C CG . LYS A 28 ? 0.4212 0.6071 0.3121 -0.0217 0.1211 0.0721 28 LYS A CG 222 C CD . LYS A 28 ? 0.4478 0.6276 0.3319 -0.0272 0.1180 0.0707 28 LYS A CD 223 C CE . LYS A 28 ? 0.4666 0.6442 0.3432 -0.0303 0.1173 0.0628 28 LYS A CE 224 N NZ . LYS A 28 ? 0.4803 0.6550 0.3532 -0.0341 0.1115 0.0565 28 LYS A NZ 225 N N . PRO A 29 ? 0.3089 0.4266 0.1727 -0.0131 0.1128 0.0086 29 PRO A N 226 C CA . PRO A 29 ? 0.2829 0.3827 0.1640 -0.0101 0.1106 -0.0033 29 PRO A CA 227 C C . PRO A 29 ? 0.2629 0.3562 0.1467 -0.0134 0.0904 0.0056 29 PRO A C 228 O O . PRO A 29 ? 0.2750 0.3876 0.1445 -0.0032 0.0900 0.0075 29 PRO A O 229 C CB . PRO A 29 ? 0.2882 0.4061 0.1731 -0.0126 0.1116 -0.0186 29 PRO A CB 230 C CG . PRO A 29 ? 0.3049 0.4394 0.1779 -0.0176 0.1066 -0.0222 29 PRO A CG 231 C CD . PRO A 29 ? 0.3102 0.4446 0.1729 -0.0142 0.1068 -0.0060 29 PRO A CD 232 N N . LEU A 30 ? 0.2226 0.2973 0.1309 -0.0318 0.0826 0.0105 30 LEU A N 233 C CA . LEU A 30 ? 0.2116 0.2744 0.1343 -0.0542 0.0540 0.0094 30 LEU A CA 234 C C . LEU A 30 ? 0.1881 0.2372 0.1006 -0.0577 0.0495 -0.0055 30 LEU A C 235 O O . LEU A 30 ? 0.1930 0.2177 0.1187 -0.0538 0.0423 -0.0106 30 LEU A O 236 C CB . LEU A 30 ? 0.2314 0.3062 0.1788 -0.0592 0.0245 0.0286 30 LEU A CB 237 C CG . LEU A 30 ? 0.2623 0.3292 0.2158 -0.0583 0.0039 0.0337 30 LEU A CG 238 C CD1 . LEU A 30 ? 0.2769 0.3328 0.2191 -0.0428 -0.0122 0.0235 30 LEU A CD1 239 C CD2 . LEU A 30 ? 0.2723 0.3166 0.2337 -0.0605 -0.0096 0.0378 30 LEU A CD2 240 N N . GLN A 31 ? 0.1776 0.2241 0.0834 -0.0460 0.0424 -0.0226 31 GLN A N 241 C CA . GLN A 31 ? 0.1796 0.2429 0.0970 -0.0531 0.0396 -0.0268 31 GLN A CA 242 C C . GLN A 31 ? 0.1330 0.1757 0.0779 -0.0562 0.0358 -0.0063 31 GLN A C 243 O O . GLN A 31 ? 0.1349 0.1932 0.1108 -0.0611 0.0502 -0.0075 31 GLN A O 244 C CB . GLN A 31 ? 0.2373 0.3534 0.1399 -0.0408 0.0181 -0.0138 31 GLN A CB 245 C CG . GLN A 31 ? 0.3007 0.4534 0.1932 -0.0350 0.0064 0.0178 31 GLN A CG 246 C CD . GLN A 31 ? 0.3432 0.5288 0.2266 -0.0234 -0.0072 0.0423 31 GLN A CD 247 O OE1 . GLN A 31 ? 0.3653 0.5620 0.2424 -0.0191 -0.0107 0.0547 31 GLN A OE1 248 N NE2 . GLN A 31 ? 0.3449 0.5449 0.2291 -0.0167 -0.0266 0.0414 31 GLN A NE2 249 N N . ASN A 32 ? 0.1063 0.1548 0.0561 -0.0486 0.0183 -0.0025 32 ASN A N 250 C CA . ASN A 32 ? 0.1076 0.1447 0.0634 -0.0336 0.0176 0.0269 32 ASN A CA 251 C C . ASN A 32 ? 0.0944 0.1198 0.0527 -0.0265 0.0119 0.0260 32 ASN A C 252 O O . ASN A 32 ? 0.1191 0.1733 0.0559 -0.0220 0.0164 0.0198 32 ASN A O 253 C CB . ASN A 32 ? 0.1191 0.1592 0.0841 -0.0354 -0.0089 0.0485 32 ASN A CB 254 C CG . ASN A 32 ? 0.1447 0.2261 0.1455 -0.0342 -0.0233 0.0494 32 ASN A CG 255 O OD1 . ASN A 32 ? 0.1235 0.2472 0.1498 -0.0333 -0.0173 0.0389 32 ASN A OD1 256 N ND2 . ASN A 32 ? 0.2127 0.3059 0.2246 -0.0039 -0.0445 0.0972 32 ASN A ND2 257 N N . PHE A 33 ? 0.0888 0.1058 0.0426 -0.0249 0.0120 0.0165 33 PHE A N 258 C CA . PHE A 33 ? 0.0900 0.1114 0.0415 -0.0321 0.0170 -0.0037 33 PHE A CA 259 C C . PHE A 33 ? 0.0619 0.0710 0.0404 -0.0240 0.0123 0.0119 33 PHE A C 260 O O . PHE A 33 ? 0.0509 0.0987 0.0444 -0.0174 0.0085 0.0200 33 PHE A O 261 C CB . PHE A 33 ? 0.0996 0.1403 0.0419 -0.0098 0.0155 -0.0085 33 PHE A CB 262 C CG . PHE A 33 ? 0.1126 0.1280 0.0462 -0.0026 0.0162 -0.0077 33 PHE A CG 263 C CD1 . PHE A 33 ? 0.1333 0.1453 0.0600 -0.0100 0.0253 -0.0014 33 PHE A CD1 264 C CD2 . PHE A 33 ? 0.1227 0.1248 0.0510 -0.0103 0.0191 0.0008 33 PHE A CD2 265 C CE1 . PHE A 33 ? 0.1470 0.1292 0.0690 0.0053 0.0317 -0.0015 33 PHE A CE1 266 C CE2 . PHE A 33 ? 0.1285 0.1215 0.0573 -0.0149 0.0356 0.0112 33 PHE A CE2 267 C CZ . PHE A 33 ? 0.1356 0.1286 0.0770 0.0051 0.0390 0.0207 33 PHE A CZ 268 N N . THR A 34 ? 0.0665 0.0729 0.0413 -0.0288 0.0039 0.0164 34 THR A N 269 C CA . THR A 34 ? 0.0730 0.0740 0.0370 -0.0084 0.0167 0.0192 34 THR A CA 270 C C . THR A 34 ? 0.0723 0.0719 0.0428 -0.0104 0.0202 0.0204 34 THR A C 271 O O . THR A 34 ? 0.0826 0.0999 0.0526 -0.0152 0.0179 0.0277 34 THR A O 272 C CB . THR A 34 ? 0.1004 0.0919 0.0522 -0.0085 0.0097 0.0173 34 THR A CB 273 O OG1 . THR A 34 ? 0.0931 0.0932 0.0477 -0.0071 -0.0051 0.0039 34 THR A OG1 274 C CG2 . THR A 34 ? 0.1031 0.0777 0.0554 -0.0018 0.0062 -0.0071 34 THR A CG2 275 N N . LEU A 35 ? 0.0789 0.0757 0.0409 -0.0116 0.0221 0.0176 35 LEU A N 276 C CA . LEU A 35 ? 0.0838 0.0855 0.0461 -0.0138 0.0227 0.0196 35 LEU A CA 277 C C . LEU A 35 ? 0.0689 0.0686 0.0424 -0.0218 0.0091 0.0189 35 LEU A C 278 O O . LEU A 35 ? 0.0716 0.1099 0.0530 -0.0273 0.0142 0.0193 35 LEU A O 279 C CB . LEU A 35 ? 0.0891 0.0868 0.0619 -0.0019 0.0268 0.0171 35 LEU A CB 280 C CG . LEU A 35 ? 0.1196 0.0957 0.0784 0.0096 0.0301 0.0424 35 LEU A CG 281 C CD1 . LEU A 35 ? 0.1149 0.1418 0.0780 -0.0032 0.0037 0.0418 35 LEU A CD1 282 C CD2 . LEU A 35 ? 0.1512 0.0979 0.1060 0.0195 0.0557 0.0415 35 LEU A CD2 283 N N A CYS A 36 ? 0.0639 0.0741 0.0421 -0.0194 0.0117 0.0186 36 CYS A N 284 N N B CYS A 36 ? 0.0745 0.0799 0.0472 -0.0177 0.0114 0.0253 36 CYS A N 285 C CA A CYS A 36 ? 0.0781 0.0768 0.0511 -0.0138 0.0189 0.0259 36 CYS A CA 286 C CA B CYS A 36 ? 0.0904 0.1020 0.0582 -0.0126 0.0155 0.0353 36 CYS A CA 287 C C A CYS A 36 ? 0.0752 0.0772 0.0394 -0.0098 0.0140 0.0223 36 CYS A C 288 C C B CYS A 36 ? 0.0800 0.0952 0.0475 -0.0070 0.0116 0.0306 36 CYS A C 289 O O A CYS A 36 ? 0.0702 0.0750 0.0336 -0.0068 0.0087 0.0209 36 CYS A O 290 O O B CYS A 36 ? 0.0689 0.0853 0.0440 -0.0014 0.0038 0.0311 36 CYS A O 291 C CB A CYS A 36 ? 0.0926 0.1099 0.0579 -0.0056 0.0130 0.0209 36 CYS A CB 292 C CB B CYS A 36 ? 0.1123 0.1274 0.0789 -0.0037 0.0127 0.0374 36 CYS A CB 293 S SG A CYS A 36 ? 0.1248 0.1192 0.0852 0.0021 0.0078 0.0216 36 CYS A SG 294 S SG B CYS A 36 ? 0.1415 0.1368 0.1018 -0.0014 0.0109 0.0407 36 CYS A SG 295 N N . PHE A 37 ? 0.0789 0.0931 0.0459 -0.0060 0.0182 0.0256 37 PHE A N 296 C CA . PHE A 37 ? 0.0812 0.1068 0.0471 -0.0160 0.0161 0.0230 37 PHE A CA 297 C C . PHE A 37 ? 0.0777 0.0883 0.0417 -0.0133 0.0175 0.0194 37 PHE A C 298 O O . PHE A 37 ? 0.0728 0.1106 0.0369 -0.0110 0.0103 0.0152 37 PHE A O 299 C CB . PHE A 37 ? 0.0968 0.1043 0.0507 -0.0179 0.0273 0.0160 37 PHE A CB 300 C CG . PHE A 37 ? 0.1209 0.0858 0.0762 0.0043 0.0152 0.0224 37 PHE A CG 301 C CD1 . PHE A 37 ? 0.1373 0.0910 0.1131 -0.0130 -0.0003 0.0366 37 PHE A CD1 302 C CD2 . PHE A 37 ? 0.1320 0.1060 0.0942 0.0178 0.0153 0.0232 37 PHE A CD2 303 C CE1 . PHE A 37 ? 0.1483 0.1194 0.1264 -0.0109 -0.0036 0.0462 37 PHE A CE1 304 C CE2 . PHE A 37 ? 0.1605 0.1241 0.1080 0.0025 0.0153 0.0432 37 PHE A CE2 305 C CZ . PHE A 37 ? 0.1416 0.1171 0.1203 -0.0135 0.0093 0.0553 37 PHE A CZ 306 N N . ARG A 38 ? 0.0867 0.1005 0.0415 -0.0080 0.0196 0.0194 38 ARG A N 307 C CA . ARG A 38 ? 0.0951 0.0947 0.0517 -0.0103 0.0271 0.0239 38 ARG A CA 308 C C . ARG A 38 ? 0.0866 0.0947 0.0557 0.0144 0.0278 0.0287 38 ARG A C 309 O O . ARG A 38 ? 0.1004 0.1219 0.0839 0.0286 0.0326 0.0503 38 ARG A O 310 C CB . ARG A 38 ? 0.1468 0.1508 0.1214 -0.0399 0.0055 -0.0270 38 ARG A CB 311 C CG . ARG A 38 ? 0.1826 0.1858 0.2024 -0.0517 -0.0101 -0.0410 38 ARG A CG 312 C CD . ARG A 38 ? 0.1858 0.1511 0.2224 -0.0581 -0.0345 -0.0431 38 ARG A CD 313 N NE . ARG A 38 ? 0.1782 0.1665 0.2194 -0.0623 -0.0345 -0.0143 38 ARG A NE 314 C CZ . ARG A 38 ? 0.1750 0.1594 0.2320 -0.0588 -0.0162 0.0076 38 ARG A CZ 315 N NH1 . ARG A 38 ? 0.1562 0.1292 0.2303 -0.0590 -0.0079 -0.0051 38 ARG A NH1 316 N NH2 . ARG A 38 ? 0.1865 0.2140 0.2454 -0.0434 -0.0044 0.0384 38 ARG A NH2 317 N N . ALA A 39 ? 0.0687 0.0910 0.0445 0.0260 0.0197 0.0239 39 ALA A N 318 C CA . ALA A 39 ? 0.0734 0.0716 0.0349 0.0323 0.0070 0.0154 39 ALA A CA 319 C C . ALA A 39 ? 0.0769 0.0741 0.0371 0.0302 0.0133 0.0184 39 ALA A C 320 O O . ALA A 39 ? 0.0964 0.1119 0.0412 0.0299 0.0150 0.0155 39 ALA A O 321 C CB . ALA A 39 ? 0.1045 0.0802 0.0381 0.0422 0.0023 0.0082 39 ALA A CB 322 N N . TYR A 40 ? 0.0867 0.0741 0.0392 0.0289 0.0136 0.0175 40 TYR A N 323 C CA . TYR A 40 ? 0.0807 0.0763 0.0411 0.0241 0.0107 0.0236 40 TYR A CA 324 C C . TYR A 40 ? 0.0836 0.0838 0.0487 0.0200 0.0134 0.0305 40 TYR A C 325 O O . TYR A 40 ? 0.0805 0.0868 0.0565 0.0223 0.0086 0.0252 40 TYR A O 326 C CB . TYR A 40 ? 0.0852 0.0792 0.0430 0.0251 -0.0003 0.0210 40 TYR A CB 327 C CG . TYR A 40 ? 0.0767 0.0765 0.0433 0.0292 0.0046 0.0228 40 TYR A CG 328 C CD1 . TYR A 40 ? 0.0681 0.1005 0.0458 0.0217 0.0133 0.0268 40 TYR A CD1 329 C CD2 . TYR A 40 ? 0.0756 0.0764 0.0439 0.0195 0.0030 0.0271 40 TYR A CD2 330 C CE1 . TYR A 40 ? 0.0786 0.1157 0.0610 0.0371 0.0186 0.0288 40 TYR A CE1 331 C CE2 . TYR A 40 ? 0.0894 0.0961 0.0392 0.0300 0.0068 0.0192 40 TYR A CE2 332 C CZ . TYR A 40 ? 0.0730 0.0955 0.0421 0.0358 0.0016 0.0185 40 TYR A CZ 333 O OH . TYR A 40 ? 0.0914 0.1367 0.0502 0.0266 -0.0048 0.0116 40 TYR A OH 334 N N . SER A 41 ? 0.0879 0.0973 0.0519 -0.0015 0.0118 0.0287 41 SER A N 335 C CA . SER A 41 ? 0.0977 0.0854 0.0471 0.0034 0.0174 0.0257 41 SER A CA 336 C C . SER A 41 ? 0.1006 0.0951 0.0449 0.0201 0.0191 0.0201 41 SER A C 337 O O . SER A 41 ? 0.1276 0.1386 0.0762 0.0407 0.0399 0.0379 41 SER A O 338 C CB . SER A 41 ? 0.1201 0.0983 0.0522 -0.0004 0.0000 0.0376 41 SER A CB 339 O OG . SER A 41 ? 0.1387 0.1053 0.0622 -0.0108 0.0027 0.0265 41 SER A OG 340 N N . ASP A 42 ? 0.1002 0.0947 0.0453 0.0006 0.0146 0.0289 42 ASP A N 341 C CA . ASP A 42 ? 0.1170 0.1168 0.0474 0.0049 0.0162 0.0286 42 ASP A CA 342 C C . ASP A 42 ? 0.1276 0.1137 0.0427 -0.0031 0.0115 0.0243 42 ASP A C 343 O O . ASP A 42 ? 0.1447 0.1217 0.0484 -0.0049 0.0040 0.0283 42 ASP A O 344 C CB . ASP A 42 ? 0.1215 0.1442 0.0679 0.0124 0.0001 0.0161 42 ASP A CB 345 C CG . ASP A 42 ? 0.1223 0.1883 0.0706 0.0179 0.0010 0.0122 42 ASP A CG 346 O OD1 . ASP A 42 ? 0.1248 0.2354 0.0970 0.0240 0.0052 -0.0063 42 ASP A OD1 347 O OD2 . ASP A 42 ? 0.1238 0.1907 0.0684 0.0386 -0.0024 0.0310 42 ASP A OD2 348 N N . LEU A 43 ? 0.1301 0.1029 0.0414 -0.0159 0.0058 0.0173 43 LEU A N 349 C CA . LEU A 43 ? 0.1419 0.1087 0.0497 -0.0151 0.0043 0.0061 43 LEU A CA 350 C C . LEU A 43 ? 0.1737 0.1240 0.0753 -0.0233 0.0201 0.0068 43 LEU A C 351 O O . LEU A 43 ? 0.1786 0.1719 0.0903 -0.0209 0.0166 -0.0024 43 LEU A O 352 C CB . LEU A 43 ? 0.1234 0.1134 0.0543 -0.0022 -0.0047 -0.0104 43 LEU A CB 353 C CG . LEU A 43 ? 0.1065 0.1150 0.0638 0.0039 0.0062 -0.0037 43 LEU A CG 354 C CD1 . LEU A 43 ? 0.1080 0.1116 0.0564 -0.0014 0.0003 0.0063 43 LEU A CD1 355 C CD2 . LEU A 43 ? 0.1044 0.1377 0.0868 0.0278 0.0126 0.0191 43 LEU A CD2 356 N N . SER A 44 ? 0.2055 0.1457 0.1076 -0.0302 0.0403 0.0192 44 SER A N 357 C CA . SER A 44 ? 0.2207 0.1858 0.1316 -0.0464 0.0561 0.0296 44 SER A CA 358 C C . SER A 44 ? 0.2062 0.1711 0.1342 -0.0331 0.0420 0.0212 44 SER A C 359 O O . SER A 44 ? 0.2221 0.2012 0.1448 -0.0429 0.0304 0.0190 44 SER A O 360 C CB . SER A 44 ? 0.2532 0.2527 0.1576 -0.0720 0.0676 0.0179 44 SER A CB 361 O OG . SER A 44 ? 0.2827 0.3151 0.2000 -0.0683 0.0756 0.0179 44 SER A OG 362 N N . ARG A 45 ? 0.1907 0.1340 0.1245 -0.0236 0.0273 0.0215 45 ARG A N 363 C CA . ARG A 45 ? 0.1765 0.1178 0.1167 -0.0373 0.0175 0.0269 45 ARG A CA 364 C C . ARG A 45 ? 0.1624 0.1413 0.1149 -0.0245 0.0122 0.0260 45 ARG A C 365 O O . ARG A 45 ? 0.1675 0.1567 0.1151 -0.0160 0.0116 0.0351 45 ARG A O 366 C CB . ARG A 45 ? 0.1945 0.1059 0.1120 -0.0312 0.0219 0.0462 45 ARG A CB 367 C CG . ARG A 45 ? 0.1948 0.1239 0.0996 0.0004 0.0388 0.0433 45 ARG A CG 368 C CD . ARG A 45 ? 0.1970 0.1324 0.1183 0.0031 0.0417 0.0326 45 ARG A CD 369 N NE . ARG A 45 ? 0.1841 0.1045 0.1251 0.0117 0.0272 0.0242 45 ARG A NE 370 C CZ . ARG A 45 ? 0.1611 0.0953 0.1162 0.0082 0.0243 0.0162 45 ARG A CZ 371 N NH1 . ARG A 45 ? 0.1411 0.0901 0.1044 0.0118 0.0163 0.0308 45 ARG A NH1 372 N NH2 . ARG A 45 ? 0.1668 0.1140 0.1262 0.0138 0.0316 0.0138 45 ARG A NH2 373 N N . ALA A 46 ? 0.1572 0.1451 0.1106 -0.0299 0.0076 0.0389 46 ALA A N 374 C CA . ALA A 46 ? 0.1583 0.1361 0.1190 -0.0138 0.0050 0.0450 46 ALA A CA 375 C C . ALA A 46 ? 0.1415 0.1162 0.1098 0.0148 0.0038 0.0315 46 ALA A C 376 O O . ALA A 46 ? 0.1610 0.1246 0.1191 0.0222 0.0070 0.0377 46 ALA A O 377 C CB . ALA A 46 ? 0.1682 0.1492 0.1339 -0.0296 0.0038 0.0528 46 ALA A CB 378 N N . TYR A 47 ? 0.1307 0.1031 0.0873 0.0158 0.0202 0.0125 47 TYR A N 379 C CA . TYR A 47 ? 0.1158 0.1142 0.0873 0.0190 0.0131 0.0005 47 TYR A CA 380 C C . TYR A 47 ? 0.1109 0.0985 0.0843 0.0075 0.0231 -0.0069 47 TYR A C 381 O O . TYR A 47 ? 0.0989 0.1175 0.0853 0.0077 0.0199 -0.0122 47 TYR A O 382 C CB . TYR A 47 ? 0.1146 0.1106 0.0989 0.0153 0.0135 0.0158 47 TYR A CB 383 C CG . TYR A 47 ? 0.1194 0.1052 0.0957 0.0153 0.0047 0.0300 47 TYR A CG 384 C CD1 . TYR A 47 ? 0.1246 0.1047 0.1002 0.0126 0.0032 0.0339 47 TYR A CD1 385 C CD2 . TYR A 47 ? 0.1426 0.1102 0.0988 0.0146 0.0129 0.0320 47 TYR A CD2 386 C CE1 . TYR A 47 ? 0.1424 0.0948 0.1028 -0.0113 0.0159 0.0347 47 TYR A CE1 387 C CE2 . TYR A 47 ? 0.1637 0.1194 0.1141 0.0131 0.0216 0.0270 47 TYR A CE2 388 C CZ . TYR A 47 ? 0.1625 0.1072 0.1140 0.0103 0.0314 0.0102 47 TYR A CZ 389 O OH . TYR A 47 ? 0.1753 0.1419 0.1332 0.0230 0.0231 -0.0083 47 TYR A OH 390 N N . SER A 48 ? 0.1246 0.0917 0.0889 0.0094 0.0241 -0.0011 48 SER A N 391 C CA . SER A 48 ? 0.1195 0.0852 0.0832 0.0203 -0.0027 -0.0188 48 SER A CA 392 C C . SER A 48 ? 0.1018 0.0946 0.0885 0.0102 -0.0058 -0.0104 48 SER A C 393 O O . SER A 48 ? 0.1029 0.1079 0.1352 0.0251 -0.0045 0.0032 48 SER A O 394 C CB . SER A 48 ? 0.1502 0.1224 0.0891 -0.0008 0.0147 -0.0374 48 SER A CB 395 O OG . SER A 48 ? 0.1586 0.1764 0.0822 -0.0066 0.0220 -0.0471 48 SER A OG 396 N N . LEU A 49 ? 0.1023 0.0808 0.0683 -0.0117 -0.0029 -0.0035 49 LEU A N 397 C CA . LEU A 49 ? 0.1088 0.0890 0.0699 -0.0231 -0.0115 -0.0141 49 LEU A CA 398 C C . LEU A 49 ? 0.0935 0.0931 0.0722 -0.0147 -0.0091 -0.0098 49 LEU A C 399 O O . LEU A 49 ? 0.1028 0.1055 0.0826 -0.0287 -0.0184 -0.0072 49 LEU A O 400 C CB . LEU A 49 ? 0.1462 0.1064 0.0927 0.0035 -0.0192 -0.0029 49 LEU A CB 401 C CG . LEU A 49 ? 0.1770 0.1101 0.0994 0.0073 -0.0147 0.0080 49 LEU A CG 402 C CD1 . LEU A 49 ? 0.2032 0.1344 0.1037 0.0342 -0.0148 0.0064 49 LEU A CD1 403 C CD2 . LEU A 49 ? 0.1938 0.1109 0.1004 -0.0109 -0.0132 0.0027 49 LEU A CD2 404 N N . PHE A 50 ? 0.0943 0.0869 0.0592 -0.0085 0.0003 -0.0025 50 PHE A N 405 C CA . PHE A 50 ? 0.0899 0.0961 0.0568 -0.0127 0.0161 -0.0068 50 PHE A CA 406 C C . PHE A 50 ? 0.0765 0.1082 0.0662 -0.0108 0.0285 -0.0160 50 PHE A C 407 O O . PHE A 50 ? 0.0820 0.1209 0.0696 -0.0047 0.0328 -0.0203 50 PHE A O 408 C CB . PHE A 50 ? 0.1009 0.0976 0.0621 -0.0098 0.0130 0.0045 50 PHE A CB 409 C CG . PHE A 50 ? 0.0975 0.0995 0.0592 -0.0003 0.0177 0.0132 50 PHE A CG 410 C CD1 . PHE A 50 ? 0.1000 0.1147 0.0448 0.0002 0.0190 0.0134 50 PHE A CD1 411 C CD2 . PHE A 50 ? 0.1032 0.1132 0.0646 0.0175 0.0227 0.0267 50 PHE A CD2 412 C CE1 . PHE A 50 ? 0.0974 0.1251 0.0488 0.0097 0.0155 0.0124 50 PHE A CE1 413 C CE2 . PHE A 50 ? 0.1140 0.1300 0.0645 0.0094 0.0280 0.0305 50 PHE A CE2 414 C CZ . PHE A 50 ? 0.1184 0.1329 0.0646 0.0113 0.0316 0.0240 50 PHE A CZ 415 N N . SER A 51 ? 0.0780 0.1162 0.0625 -0.0169 0.0288 -0.0311 51 SER A N 416 C CA . SER A 51 ? 0.0779 0.1494 0.0838 -0.0047 0.0289 -0.0336 51 SER A CA 417 C C . SER A 51 ? 0.0818 0.1726 0.0844 -0.0135 0.0226 -0.0331 51 SER A C 418 O O . SER A 51 ? 0.0855 0.1955 0.0958 -0.0123 0.0204 -0.0418 51 SER A O 419 C CB . SER A 51 ? 0.0889 0.1290 0.1028 0.0131 0.0246 -0.0532 51 SER A CB 420 O OG . SER A 51 ? 0.1132 0.1467 0.1086 -0.0080 0.0165 -0.0542 51 SER A OG 421 N N . TYR A 52 ? 0.0814 0.1617 0.0715 -0.0008 0.0262 -0.0316 52 TYR A N 422 C CA . TYR A 52 ? 0.0948 0.1794 0.0747 -0.0153 0.0243 -0.0431 52 TYR A CA 423 C C . TYR A 52 ? 0.1110 0.1904 0.0819 -0.0118 0.0158 -0.0568 52 TYR A C 424 O O . TYR A 52 ? 0.1214 0.1755 0.0902 -0.0118 0.0245 -0.0473 52 TYR A O 425 C CB . TYR A 52 ? 0.1035 0.1841 0.0765 -0.0209 0.0307 -0.0287 52 TYR A CB 426 C CG . TYR A 52 ? 0.1050 0.1777 0.0725 -0.0134 0.0344 -0.0262 52 TYR A CG 427 C CD1 . TYR A 52 ? 0.1192 0.1986 0.0688 -0.0182 0.0328 -0.0101 52 TYR A CD1 428 C CD2 . TYR A 52 ? 0.1258 0.1897 0.0721 -0.0183 0.0391 -0.0142 52 TYR A CD2 429 C CE1 . TYR A 52 ? 0.1338 0.2179 0.0729 -0.0178 0.0344 -0.0110 52 TYR A CE1 430 C CE2 . TYR A 52 ? 0.1414 0.2104 0.0742 -0.0212 0.0361 -0.0098 52 TYR A CE2 431 C CZ . TYR A 52 ? 0.1439 0.2354 0.0761 -0.0119 0.0357 -0.0028 52 TYR A CZ 432 O OH . TYR A 52 ? 0.1519 0.2717 0.0879 0.0078 0.0369 -0.0015 52 TYR A OH 433 N N . ASN A 53 ? 0.1201 0.1925 0.0852 -0.0136 0.0074 -0.0616 53 ASN A N 434 C CA . ASN A 53 ? 0.1461 0.2165 0.0847 -0.0037 0.0099 -0.0591 53 ASN A CA 435 C C . ASN A 53 ? 0.1660 0.2208 0.0821 -0.0296 0.0179 -0.0478 53 ASN A C 436 O O . ASN A 53 ? 0.1609 0.2024 0.0778 -0.0499 0.0219 -0.0434 53 ASN A O 437 C CB . ASN A 53 ? 0.1654 0.2213 0.1030 -0.0012 0.0195 -0.0725 53 ASN A CB 438 C CG . ASN A 53 ? 0.1653 0.2212 0.1073 -0.0017 0.0217 -0.0699 53 ASN A CG 439 O OD1 . ASN A 53 ? 0.1848 0.2188 0.1175 -0.0154 0.0359 -0.0783 53 ASN A OD1 440 N ND2 . ASN A 53 ? 0.1706 0.2359 0.1064 -0.0110 0.0201 -0.0460 53 ASN A ND2 441 N N . THR A 54 ? 0.1801 0.2328 0.0881 -0.0496 0.0275 -0.0496 54 THR A N 442 C CA . THR A 54 ? 0.2173 0.2680 0.1012 -0.0591 0.0292 -0.0395 54 THR A CA 443 C C . THR A 54 ? 0.2632 0.2877 0.1216 -0.0574 0.0285 -0.0721 54 THR A C 444 O O . THR A 54 ? 0.2625 0.2383 0.1415 -0.0544 0.0326 -0.0907 54 THR A O 445 C CB . THR A 54 ? 0.2172 0.2962 0.1068 -0.0692 0.0093 -0.0302 54 THR A CB 446 O OG1 . THR A 54 ? 0.2212 0.3259 0.1436 -0.0610 -0.0177 -0.0337 54 THR A OG1 447 C CG2 . THR A 54 ? 0.2173 0.2975 0.1058 -0.0736 0.0199 -0.0045 54 THR A CG2 448 N N . GLN A 55 ? 0.3072 0.3327 0.1383 -0.0479 0.0235 -0.0811 55 GLN A N 449 C CA . GLN A 55 ? 0.3422 0.3656 0.1811 -0.0436 0.0213 -0.0998 55 GLN A CA 450 C C . GLN A 55 ? 0.3352 0.3600 0.1860 -0.0566 0.0200 -0.1232 55 GLN A C 451 O O . GLN A 55 ? 0.3494 0.3615 0.1917 -0.0616 0.0180 -0.1326 55 GLN A O 452 C CB . GLN A 55 ? 0.3758 0.3927 0.2133 -0.0271 0.0193 -0.1008 55 GLN A CB 453 C CG . GLN A 55 ? 0.4073 0.4253 0.2571 -0.0098 0.0227 -0.0937 55 GLN A CG 454 C CD . GLN A 55 ? 0.4316 0.4536 0.2959 -0.0085 0.0216 -0.1016 55 GLN A CD 455 O OE1 . GLN A 55 ? 0.4485 0.4714 0.3188 -0.0097 0.0199 -0.0952 55 GLN A OE1 456 N NE2 . GLN A 55 ? 0.4338 0.4483 0.2990 -0.0013 0.0201 -0.1192 55 GLN A NE2 457 N N . GLY A 56 ? 0.3097 0.3428 0.1917 -0.0609 0.0218 -0.1328 56 GLY A N 458 C CA . GLY A 56 ? 0.2773 0.3466 0.1862 -0.0658 0.0307 -0.1297 56 GLY A CA 459 C C . GLY A 56 ? 0.2586 0.3577 0.1835 -0.0708 0.0207 -0.1275 56 GLY A C 460 O O . GLY A 56 ? 0.2635 0.3782 0.1928 -0.0746 0.0142 -0.1301 56 GLY A O 461 N N . ARG A 57 ? 0.2381 0.3511 0.1753 -0.0607 0.0186 -0.1239 57 ARG A N 462 C CA . ARG A 57 ? 0.2266 0.3316 0.1643 -0.0611 0.0093 -0.1136 57 ARG A CA 463 C C . ARG A 57 ? 0.2111 0.2949 0.1464 -0.0618 0.0139 -0.1001 57 ARG A C 464 O O . ARG A 57 ? 0.2238 0.3195 0.1444 -0.0790 0.0310 -0.0788 57 ARG A O 465 C CB . ARG A 57 ? 0.2268 0.3426 0.1795 -0.0545 0.0077 -0.1260 57 ARG A CB 466 C CG . ARG A 57 ? 0.2353 0.3874 0.2105 -0.0498 0.0017 -0.1099 57 ARG A CG 467 C CD . ARG A 57 ? 0.2552 0.4413 0.2332 -0.0301 -0.0090 -0.1033 57 ARG A CD 468 N NE . ARG A 57 ? 0.2794 0.5048 0.2711 -0.0198 -0.0143 -0.0757 57 ARG A NE 469 C CZ . ARG A 57 ? 0.3041 0.5437 0.2958 -0.0199 -0.0227 -0.0550 57 ARG A CZ 470 N NH1 . ARG A 57 ? 0.3046 0.5505 0.2945 0.0019 -0.0206 -0.0583 57 ARG A NH1 471 N NH2 . ARG A 57 ? 0.3268 0.5646 0.3130 -0.0197 -0.0257 -0.0343 57 ARG A NH2 472 N N . ASP A 58 ? 0.1905 0.2324 0.1377 -0.0321 0.0092 -0.0964 58 ASP A N 473 C CA . ASP A 58 ? 0.1761 0.1839 0.1287 -0.0316 0.0018 -0.0842 58 ASP A CA 474 C C . ASP A 58 ? 0.1574 0.1672 0.1236 -0.0276 -0.0008 -0.0696 58 ASP A C 475 O O . ASP A 58 ? 0.1771 0.1795 0.1409 -0.0269 0.0095 -0.0620 58 ASP A O 476 C CB . ASP A 58 ? 0.1834 0.1738 0.1369 -0.0128 0.0058 -0.0770 58 ASP A CB 477 C CG . ASP A 58 ? 0.1947 0.1743 0.1558 -0.0052 0.0128 -0.0639 58 ASP A CG 478 O OD1 . ASP A 58 ? 0.1867 0.1773 0.1743 0.0034 0.0122 -0.0492 58 ASP A OD1 479 O OD2 . ASP A 58 ? 0.2173 0.1825 0.1507 0.0146 0.0107 -0.0516 58 ASP A OD2 480 N N . ASN A 59 ? 0.1401 0.1656 0.1039 -0.0125 0.0104 -0.0650 59 ASN A N 481 C CA . ASN A 59 ? 0.1402 0.1641 0.1049 0.0211 0.0169 -0.0458 59 ASN A CA 482 C C . ASN A 59 ? 0.1226 0.1657 0.0936 0.0138 0.0182 -0.0412 59 ASN A C 483 O O . ASN A 59 ? 0.1240 0.1759 0.1030 -0.0151 0.0257 -0.0359 59 ASN A O 484 C CB . ASN A 59 ? 0.1453 0.1821 0.1151 0.0387 0.0135 -0.0391 59 ASN A CB 485 C CG . ASN A 59 ? 0.1576 0.1983 0.1352 0.0196 0.0075 -0.0407 59 ASN A CG 486 O OD1 . ASN A 59 ? 0.1627 0.2008 0.1364 0.0204 0.0146 -0.0547 59 ASN A OD1 487 N ND2 . ASN A 59 ? 0.1783 0.2091 0.1439 0.0187 -0.0016 -0.0292 59 ASN A ND2 488 N N . GLU A 60 ? 0.1299 0.1672 0.0900 -0.0015 0.0160 -0.0449 60 GLU A N 489 C CA . GLU A 60 ? 0.1215 0.1745 0.0717 -0.0044 0.0193 -0.0286 60 GLU A CA 490 C C . GLU A 60 ? 0.1010 0.1636 0.0609 -0.0060 0.0272 -0.0238 60 GLU A C 491 O O . GLU A 60 ? 0.1068 0.1807 0.0626 -0.0158 0.0169 -0.0352 60 GLU A O 492 C CB . GLU A 60 ? 0.1235 0.1896 0.0841 -0.0203 0.0207 -0.0329 60 GLU A CB 493 C CG . GLU A 60 ? 0.1471 0.2094 0.0801 -0.0416 0.0128 -0.0428 60 GLU A CG 494 C CD . GLU A 60 ? 0.1647 0.2146 0.0901 -0.0265 0.0129 -0.0350 60 GLU A CD 495 O OE1 . GLU A 60 ? 0.1822 0.1888 0.1005 -0.0278 0.0028 -0.0211 60 GLU A OE1 496 O OE2 . GLU A 60 ? 0.1699 0.2428 0.0964 0.0007 0.0085 -0.0462 60 GLU A OE2 497 N N . LEU A 61 ? 0.0898 0.1315 0.0643 0.0029 0.0359 -0.0190 61 LEU A N 498 C CA . LEU A 61 ? 0.0904 0.1510 0.0653 -0.0045 0.0354 -0.0111 61 LEU A CA 499 C C . LEU A 61 ? 0.0911 0.1518 0.0640 -0.0095 0.0345 -0.0096 61 LEU A C 500 O O . LEU A 61 ? 0.1121 0.2037 0.0784 0.0007 0.0394 -0.0014 61 LEU A O 501 C CB . LEU A 61 ? 0.1136 0.1539 0.0952 -0.0142 0.0298 -0.0135 61 LEU A CB 502 C CG . LEU A 61 ? 0.1470 0.1757 0.1239 -0.0186 0.0257 0.0102 61 LEU A CG 503 C CD1 . LEU A 61 ? 0.1358 0.1624 0.1334 -0.0065 0.0292 0.0256 61 LEU A CD1 504 C CD2 . LEU A 61 ? 0.1811 0.2030 0.1402 -0.0064 0.0072 0.0351 61 LEU A CD2 505 N N . LEU A 62 ? 0.0777 0.1121 0.0593 -0.0177 0.0259 -0.0075 62 LEU A N 506 C CA . LEU A 62 ? 0.0772 0.0970 0.0478 -0.0155 0.0241 -0.0120 62 LEU A CA 507 C C . LEU A 62 ? 0.0685 0.0816 0.0426 -0.0022 0.0226 -0.0158 62 LEU A C 508 O O . LEU A 62 ? 0.0800 0.1095 0.0571 -0.0189 0.0219 -0.0251 62 LEU A O 509 C CB . LEU A 62 ? 0.0945 0.1066 0.0624 0.0077 0.0156 -0.0123 62 LEU A CB 510 C CG . LEU A 62 ? 0.1176 0.1112 0.0873 0.0040 0.0189 -0.0156 62 LEU A CG 511 C CD1 . LEU A 62 ? 0.1364 0.1175 0.0973 0.0075 0.0158 -0.0272 62 LEU A CD1 512 C CD2 . LEU A 62 ? 0.1229 0.1047 0.1014 0.0083 0.0147 -0.0320 62 LEU A CD2 513 N N . VAL A 63 ? 0.0709 0.0754 0.0441 -0.0094 0.0210 -0.0234 63 VAL A N 514 C CA . VAL A 63 ? 0.0814 0.0764 0.0558 -0.0034 0.0195 -0.0113 63 VAL A CA 515 C C . VAL A 63 ? 0.0832 0.0867 0.0436 -0.0006 0.0250 -0.0084 63 VAL A C 516 O O . VAL A 63 ? 0.0884 0.0818 0.0571 0.0103 0.0122 -0.0095 63 VAL A O 517 C CB . VAL A 63 ? 0.0940 0.0760 0.0731 -0.0123 0.0175 -0.0087 63 VAL A CB 518 C CG1 . VAL A 63 ? 0.1015 0.0835 0.0792 -0.0035 0.0196 -0.0151 63 VAL A CG1 519 C CG2 . VAL A 63 ? 0.1199 0.0785 0.0992 -0.0183 0.0124 0.0043 63 VAL A CG2 520 N N . TYR A 64 ? 0.0989 0.1033 0.0410 0.0040 0.0253 0.0121 64 TYR A N 521 C CA . TYR A 64 ? 0.1018 0.1046 0.0588 0.0141 0.0168 0.0075 64 TYR A CA 522 C C . TYR A 64 ? 0.1085 0.1075 0.0558 0.0219 0.0128 0.0016 64 TYR A C 523 O O . TYR A 64 ? 0.1075 0.1307 0.0672 0.0265 0.0254 0.0041 64 TYR A O 524 C CB . TYR A 64 ? 0.1327 0.1087 0.0796 0.0062 0.0075 -0.0079 64 TYR A CB 525 C CG . TYR A 64 ? 0.1579 0.1274 0.0866 0.0025 0.0032 -0.0095 64 TYR A CG 526 C CD1 . TYR A 64 ? 0.1568 0.1335 0.0980 0.0035 -0.0083 -0.0020 64 TYR A CD1 527 C CD2 . TYR A 64 ? 0.1804 0.1410 0.1067 0.0057 0.0032 0.0010 64 TYR A CD2 528 C CE1 . TYR A 64 ? 0.1799 0.1697 0.1110 0.0054 -0.0079 0.0043 64 TYR A CE1 529 C CE2 . TYR A 64 ? 0.1949 0.1530 0.1270 0.0378 0.0032 0.0181 64 TYR A CE2 530 C CZ . TYR A 64 ? 0.2123 0.1562 0.1319 0.0399 -0.0104 0.0192 64 TYR A CZ 531 O OH . TYR A 64 ? 0.2586 0.1605 0.1618 0.0544 -0.0166 0.0063 64 TYR A OH 532 N N . LYS A 65 ? 0.1265 0.1442 0.0547 0.0171 0.0318 0.0136 65 LYS A N 533 C CA . LYS A 65 ? 0.1572 0.1482 0.0722 -0.0064 0.0273 0.0063 65 LYS A CA 534 C C . LYS A 65 ? 0.1826 0.1813 0.0940 -0.0123 0.0154 0.0200 65 LYS A C 535 O O . LYS A 65 ? 0.1882 0.1210 0.1114 0.0011 0.0418 0.0223 65 LYS A O 536 C CB . LYS A 65 ? 0.1901 0.1175 0.0911 -0.0003 0.0401 0.0245 65 LYS A CB 537 C CG . LYS A 65 ? 0.2294 0.1383 0.1265 0.0195 0.0439 0.0217 65 LYS A CG 538 C CD . LYS A 65 ? 0.2618 0.1815 0.1625 0.0114 0.0630 0.0082 65 LYS A CD 539 C CE . LYS A 65 ? 0.2619 0.2231 0.1808 0.0184 0.0899 -0.0141 65 LYS A CE 540 N NZ . LYS A 65 ? 0.2596 0.2701 0.1990 0.0257 0.1065 -0.0202 65 LYS A NZ 541 N N . GLU A 66 ? 0.2139 0.2612 0.1184 -0.0225 0.0029 0.0495 66 GLU A N 542 C CA . GLU A 66 ? 0.2415 0.2989 0.1577 -0.0328 -0.0011 0.0549 66 GLU A CA 543 C C . GLU A 66 ? 0.2200 0.2469 0.1373 -0.0274 0.0155 0.0689 66 GLU A C 544 O O . GLU A 66 ? 0.2454 0.2301 0.1407 -0.0359 0.0315 0.0669 66 GLU A O 545 C CB . GLU A 66 ? 0.2920 0.3704 0.2127 -0.0401 -0.0140 0.0557 66 GLU A CB 546 C CG . GLU A 66 ? 0.3463 0.4308 0.2676 -0.0301 -0.0144 0.0455 66 GLU A CG 547 C CD . GLU A 66 ? 0.3950 0.5010 0.3131 -0.0323 -0.0358 0.0416 66 GLU A CD 548 O OE1 . GLU A 66 ? 0.3964 0.5156 0.3320 -0.0306 -0.0583 0.0554 66 GLU A OE1 549 O OE2 . GLU A 66 ? 0.4187 0.5324 0.3300 -0.0345 -0.0382 0.0295 66 GLU A OE2 550 N N . ARG A 67 ? 0.1750 0.2030 0.1176 -0.0294 0.0190 0.0665 67 ARG A N 551 C CA . ARG A 67 ? 0.1665 0.1717 0.1159 0.0045 0.0167 0.0693 67 ARG A CA 552 C C . ARG A 67 ? 0.1450 0.1546 0.1010 0.0264 0.0088 0.0678 67 ARG A C 553 O O . ARG A 67 ? 0.1404 0.1494 0.1002 0.0298 0.0271 0.0647 67 ARG A O 554 C CB . ARG A 67 ? 0.1857 0.1742 0.1421 0.0279 0.0327 0.0827 67 ARG A CB 555 C CG . ARG A 67 ? 0.1950 0.1872 0.1695 -0.0039 0.0527 0.0909 67 ARG A CG 556 C CD . ARG A 67 ? 0.2351 0.2037 0.2137 -0.0094 0.0737 0.0766 67 ARG A CD 557 N NE . ARG A 67 ? 0.2793 0.2217 0.2581 -0.0149 0.0745 0.0634 67 ARG A NE 558 C CZ . ARG A 67 ? 0.3298 0.2522 0.2962 0.0019 0.0543 0.0380 67 ARG A CZ 559 N NH1 . ARG A 67 ? 0.3403 0.2851 0.3112 -0.0076 0.0470 0.0320 67 ARG A NH1 560 N NH2 . ARG A 67 ? 0.3521 0.2525 0.3128 0.0211 0.0495 0.0161 67 ARG A NH2 561 N N . VAL A 68 ? 0.1586 0.1808 0.1007 0.0206 0.0023 0.0573 68 VAL A N 562 C CA . VAL A 68 ? 0.1552 0.1869 0.1062 0.0223 -0.0138 0.0505 68 VAL A CA 563 C C . VAL A 68 ? 0.1403 0.1875 0.1028 0.0222 -0.0101 0.0288 68 VAL A C 564 O O . VAL A 68 ? 0.1554 0.1969 0.1191 0.0035 0.0119 0.0325 68 VAL A O 565 C CB . VAL A 68 ? 0.1972 0.2132 0.1268 0.0123 -0.0402 0.0572 68 VAL A CB 566 C CG1 . VAL A 68 ? 0.2105 0.2430 0.1449 0.0007 -0.0377 0.0472 68 VAL A CG1 567 C CG2 . VAL A 68 ? 0.2169 0.2347 0.1276 0.0065 -0.0685 0.0401 68 VAL A CG2 568 N N . GLY A 69 ? 0.1268 0.1592 0.0926 0.0431 -0.0198 -0.0070 69 GLY A N 569 C CA . GLY A 69 ? 0.1301 0.1560 0.0929 0.0329 -0.0315 -0.0230 69 GLY A CA 570 C C . GLY A 69 ? 0.1179 0.1477 0.0866 0.0275 -0.0231 -0.0119 69 GLY A C 571 O O . GLY A 69 ? 0.1311 0.1546 0.1050 0.0514 -0.0355 -0.0331 69 GLY A O 572 N N . GLU A 70 ? 0.1004 0.1406 0.0658 0.0079 0.0089 0.0134 70 GLU A N 573 C CA . GLU A 70 ? 0.1126 0.1333 0.0490 0.0035 0.0289 0.0144 70 GLU A CA 574 C C . GLU A 70 ? 0.0977 0.1160 0.0510 0.0013 0.0246 0.0199 70 GLU A C 575 O O . GLU A 70 ? 0.1266 0.1517 0.0821 0.0263 0.0352 0.0272 70 GLU A O 576 C CB . GLU A 70 ? 0.1538 0.1774 0.0847 -0.0268 0.0490 0.0239 70 GLU A CB 577 C CG . GLU A 70 ? 0.2137 0.2328 0.1305 -0.0502 0.0668 0.0381 70 GLU A CG 578 C CD . GLU A 70 ? 0.2684 0.2878 0.1864 -0.0789 0.0725 0.0302 70 GLU A CD 579 O OE1 . GLU A 70 ? 0.2879 0.2930 0.2104 -0.0994 0.0667 0.0360 70 GLU A OE1 580 O OE2 . GLU A 70 ? 0.2933 0.3258 0.2135 -0.0837 0.0744 0.0268 70 GLU A OE2 581 N N . TYR A 71 ? 0.1015 0.0862 0.0322 -0.0099 0.0127 0.0083 71 TYR A N 582 C CA . TYR A 71 ? 0.0992 0.0915 0.0329 -0.0128 0.0113 0.0102 71 TYR A CA 583 C C . TYR A 71 ? 0.0966 0.1006 0.0362 -0.0012 0.0213 -0.0105 71 TYR A C 584 O O . TYR A 71 ? 0.1065 0.1081 0.0439 -0.0027 0.0222 -0.0211 71 TYR A O 585 C CB . TYR A 71 ? 0.1292 0.1135 0.0436 -0.0350 0.0056 0.0099 71 TYR A CB 586 C CG . TYR A 71 ? 0.1354 0.1338 0.0561 -0.0332 0.0071 0.0089 71 TYR A CG 587 C CD1 . TYR A 71 ? 0.1412 0.1111 0.0654 -0.0190 0.0077 -0.0066 71 TYR A CD1 588 C CD2 . TYR A 71 ? 0.1325 0.1634 0.0686 -0.0499 0.0082 -0.0077 71 TYR A CD2 589 C CE1 . TYR A 71 ? 0.1428 0.1207 0.0687 -0.0376 0.0058 -0.0170 71 TYR A CE1 590 C CE2 . TYR A 71 ? 0.1466 0.1590 0.0834 -0.0546 0.0015 -0.0404 71 TYR A CE2 591 C CZ . TYR A 71 ? 0.1428 0.1395 0.0779 -0.0398 -0.0112 -0.0283 71 TYR A CZ 592 O OH . TYR A 71 ? 0.1471 0.1503 0.1073 -0.0343 -0.0207 -0.0382 71 TYR A OH 593 N N . SER A 72 ? 0.0937 0.0975 0.0403 0.0106 0.0180 -0.0008 72 SER A N 594 C CA . SER A 72 ? 0.1023 0.0856 0.0414 -0.0054 0.0231 -0.0167 72 SER A CA 595 C C . SER A 72 ? 0.0858 0.0853 0.0375 -0.0103 0.0156 -0.0203 72 SER A C 596 O O . SER A 72 ? 0.0925 0.1046 0.0365 -0.0120 0.0070 -0.0018 72 SER A O 597 C CB . SER A 72 ? 0.1386 0.1094 0.0604 -0.0148 0.0415 -0.0114 72 SER A CB 598 O OG . SER A 72 ? 0.1689 0.1212 0.0871 -0.0049 0.0614 0.0042 72 SER A OG 599 N N . LEU A 73 ? 0.0666 0.0831 0.0423 -0.0069 0.0192 -0.0227 73 LEU A N 600 C CA . LEU A 73 ? 0.0814 0.0773 0.0468 -0.0145 0.0200 -0.0266 73 LEU A CA 601 C C . LEU A 73 ? 0.0762 0.0706 0.0450 -0.0209 0.0246 -0.0124 73 LEU A C 602 O O . LEU A 73 ? 0.0892 0.0992 0.0541 -0.0276 0.0307 -0.0210 73 LEU A O 603 C CB . LEU A 73 ? 0.0869 0.0693 0.0472 -0.0156 0.0252 -0.0218 73 LEU A CB 604 C CG . LEU A 73 ? 0.1108 0.0565 0.0533 -0.0092 0.0292 -0.0026 73 LEU A CG 605 C CD1 . LEU A 73 ? 0.1158 0.0806 0.0809 -0.0129 0.0366 0.0046 73 LEU A CD1 606 C CD2 . LEU A 73 ? 0.1303 0.0687 0.0542 0.0103 0.0243 -0.0169 73 LEU A CD2 607 N N . TYR A 74 ? 0.0772 0.0708 0.0497 -0.0042 0.0075 -0.0325 74 TYR A N 608 C CA . TYR A 74 ? 0.0878 0.0666 0.0490 0.0038 0.0176 -0.0264 74 TYR A CA 609 C C . TYR A 74 ? 0.0857 0.0973 0.0480 -0.0091 0.0243 -0.0235 74 TYR A C 610 O O . TYR A 74 ? 0.0851 0.1193 0.0498 -0.0264 0.0172 -0.0262 74 TYR A O 611 C CB . TYR A 74 ? 0.1065 0.0760 0.0667 0.0020 0.0182 -0.0367 74 TYR A CB 612 C CG . TYR A 74 ? 0.1188 0.0920 0.1091 -0.0010 0.0137 -0.0115 74 TYR A CG 613 C CD1 . TYR A 74 ? 0.1302 0.0849 0.1161 0.0119 0.0127 -0.0079 74 TYR A CD1 614 C CD2 . TYR A 74 ? 0.1595 0.1118 0.1418 -0.0151 0.0149 0.0062 74 TYR A CD2 615 C CE1 . TYR A 74 ? 0.1689 0.1222 0.1369 -0.0066 0.0034 0.0273 74 TYR A CE1 616 C CE2 . TYR A 74 ? 0.1832 0.1235 0.1685 -0.0192 0.0050 0.0384 74 TYR A CE2 617 C CZ . TYR A 74 ? 0.1960 0.1536 0.1644 -0.0104 -0.0002 0.0771 74 TYR A CZ 618 O OH . TYR A 74 ? 0.2355 0.2283 0.2110 -0.0144 0.0073 0.1042 74 TYR A OH 619 N N . ILE A 75 ? 0.0866 0.1058 0.0552 -0.0271 0.0316 -0.0095 75 ILE A N 620 C CA . ILE A 75 ? 0.0898 0.1091 0.0555 -0.0266 0.0322 -0.0077 75 ILE A CA 621 C C . ILE A 75 ? 0.0883 0.1055 0.0622 -0.0213 0.0289 -0.0174 75 ILE A C 622 O O . ILE A 75 ? 0.1019 0.1111 0.0723 -0.0136 0.0258 -0.0110 75 ILE A O 623 C CB . ILE A 75 ? 0.1229 0.0851 0.0490 -0.0405 0.0188 -0.0042 75 ILE A CB 624 C CG1 . ILE A 75 ? 0.1556 0.1258 0.0564 -0.0448 0.0170 0.0045 75 ILE A CG1 625 C CG2 . ILE A 75 ? 0.1360 0.1191 0.0547 -0.0170 0.0300 0.0015 75 ILE A CG2 626 C CD1 . ILE A 75 ? 0.1804 0.1438 0.0737 -0.0350 0.0076 0.0107 75 ILE A CD1 627 N N . GLY A 76 ? 0.0801 0.1048 0.0686 -0.0256 0.0250 -0.0423 76 GLY A N 628 C CA . GLY A 76 ? 0.1119 0.1146 0.0799 -0.0156 0.0250 -0.0497 76 GLY A CA 629 C C . GLY A 76 ? 0.1289 0.1448 0.0922 -0.0153 0.0329 -0.0570 76 GLY A C 630 O O . GLY A 76 ? 0.1323 0.1503 0.0972 -0.0238 0.0360 -0.0598 76 GLY A O 631 N N . ARG A 77 ? 0.1321 0.1506 0.1021 -0.0032 0.0370 -0.0594 77 ARG A N 632 C CA . ARG A 77 ? 0.1534 0.1453 0.1275 0.0085 0.0442 -0.0653 77 ARG A CA 633 C C . ARG A 77 ? 0.1581 0.1393 0.1348 0.0118 0.0503 -0.0297 77 ARG A C 634 O O . ARG A 77 ? 0.2090 0.2044 0.1867 0.0309 0.0730 0.0070 77 ARG A O 635 C CB . ARG A 77 ? 0.1718 0.1478 0.1589 -0.0193 0.0433 -0.0756 77 ARG A CB 636 C CG . ARG A 77 ? 0.1910 0.1955 0.1712 -0.0185 0.0358 -0.0906 77 ARG A CG 637 C CD . ARG A 77 ? 0.2079 0.2341 0.1806 -0.0024 0.0231 -0.0983 77 ARG A CD 638 N NE . ARG A 77 ? 0.2041 0.2766 0.1800 0.0079 0.0144 -0.0731 77 ARG A NE 639 C CZ . ARG A 77 ? 0.1919 0.3013 0.1724 0.0112 0.0155 -0.0595 77 ARG A CZ 640 N NH1 . ARG A 77 ? 0.1545 0.2699 0.1407 0.0152 0.0188 -0.0716 77 ARG A NH1 641 N NH2 . ARG A 77 ? 0.2008 0.3403 0.1782 0.0089 0.0073 -0.0474 77 ARG A NH2 642 N N . HIS A 78 ? 0.1321 0.0940 0.1036 0.0002 0.0392 -0.0411 78 HIS A N 643 C CA . HIS A 78 ? 0.1186 0.0973 0.0887 -0.0312 0.0320 -0.0474 78 HIS A CA 644 C C . HIS A 78 ? 0.1200 0.1000 0.0794 -0.0382 0.0272 -0.0421 78 HIS A C 645 O O . HIS A 78 ? 0.1151 0.1097 0.0813 -0.0485 0.0261 -0.0302 78 HIS A O 646 C CB . HIS A 78 ? 0.1234 0.1098 0.0939 -0.0412 0.0370 -0.0438 78 HIS A CB 647 C CG . HIS A 78 ? 0.1213 0.1419 0.1148 -0.0448 0.0339 -0.0568 78 HIS A CG 648 N ND1 . HIS A 78 ? 0.1402 0.1454 0.1252 -0.0356 0.0269 -0.0664 78 HIS A ND1 649 C CD2 . HIS A 78 ? 0.1384 0.1597 0.1305 -0.0437 0.0195 -0.0468 78 HIS A CD2 650 C CE1 . HIS A 78 ? 0.1449 0.1518 0.1291 -0.0541 0.0134 -0.0619 78 HIS A CE1 651 N NE2 . HIS A 78 ? 0.1441 0.1520 0.1302 -0.0495 0.0169 -0.0466 78 HIS A NE2 652 N N . LYS A 79 ? 0.1335 0.1328 0.0873 -0.0443 0.0236 -0.0527 79 LYS A N 653 C CA . LYS A 79 ? 0.1464 0.1424 0.0946 -0.0208 0.0270 -0.0570 79 LYS A CA 654 C C . LYS A 79 ? 0.1121 0.0969 0.0739 -0.0380 0.0230 -0.0362 79 LYS A C 655 O O . LYS A 79 ? 0.1268 0.1443 0.0885 -0.0416 0.0119 -0.0556 79 LYS A O 656 C CB . LYS A 79 ? 0.2061 0.2282 0.1554 0.0157 0.0007 -0.0701 79 LYS A CB 657 C CG . LYS A 79 ? 0.2694 0.2944 0.2135 0.0346 0.0039 -0.0408 79 LYS A CG 658 C CD . LYS A 79 ? 0.3190 0.3401 0.2731 0.0441 0.0247 -0.0343 79 LYS A CD 659 C CE . LYS A 79 ? 0.3498 0.3682 0.3108 0.0414 0.0335 -0.0176 79 LYS A CE 660 N NZ . LYS A 79 ? 0.3763 0.4009 0.3390 0.0310 0.0377 -0.0081 79 LYS A NZ 661 N N . VAL A 80 ? 0.0906 0.0788 0.0464 -0.0111 0.0268 -0.0198 80 VAL A N 662 C CA . VAL A 80 ? 0.0840 0.0803 0.0495 -0.0192 0.0315 -0.0132 80 VAL A CA 663 C C . VAL A 80 ? 0.0830 0.0870 0.0473 -0.0223 0.0226 -0.0090 80 VAL A C 664 O O . VAL A 80 ? 0.0930 0.1098 0.0530 -0.0202 0.0139 -0.0165 80 VAL A O 665 C CB . VAL A 80 ? 0.0949 0.1129 0.0627 0.0110 0.0244 -0.0179 80 VAL A CB 666 C CG1 . VAL A 80 ? 0.1047 0.1533 0.0680 -0.0051 0.0265 -0.0386 80 VAL A CG1 667 C CG2 . VAL A 80 ? 0.1006 0.0872 0.0618 0.0293 0.0199 -0.0004 80 VAL A CG2 668 N N . THR A 81 ? 0.0784 0.1032 0.0521 -0.0358 0.0193 -0.0310 81 THR A N 669 C CA . THR A 81 ? 0.0957 0.1086 0.0544 -0.0227 0.0255 -0.0182 81 THR A CA 670 C C . THR A 81 ? 0.0981 0.1012 0.0470 -0.0071 0.0174 -0.0045 81 THR A C 671 O O . THR A 81 ? 0.1050 0.1316 0.0532 -0.0052 0.0183 -0.0222 81 THR A O 672 C CB . THR A 81 ? 0.1301 0.1141 0.0887 -0.0172 0.0325 -0.0206 81 THR A CB 673 O OG1 . THR A 81 ? 0.1559 0.1516 0.1131 -0.0183 0.0571 -0.0152 81 THR A OG1 674 C CG2 . THR A 81 ? 0.1385 0.1311 0.0990 -0.0271 0.0259 0.0066 81 THR A CG2 675 N N A SER A 82 ? 0.0959 0.0921 0.0334 -0.0182 0.0144 0.0012 82 SER A N 676 N N B SER A 82 ? 0.1078 0.1009 0.0453 -0.0084 0.0143 0.0050 82 SER A N 677 C CA A SER A 82 ? 0.1142 0.0822 0.0481 -0.0322 0.0065 -0.0002 82 SER A CA 678 C CA B SER A 82 ? 0.1237 0.1009 0.0531 -0.0127 0.0067 0.0087 82 SER A CA 679 C C A SER A 82 ? 0.1015 0.0854 0.0468 -0.0182 0.0108 -0.0035 82 SER A C 680 C C B SER A 82 ? 0.1076 0.1035 0.0475 -0.0059 0.0099 0.0004 82 SER A C 681 O O A SER A 82 ? 0.1010 0.0856 0.0450 0.0015 0.0193 -0.0198 82 SER A O 682 O O B SER A 82 ? 0.1079 0.1132 0.0475 0.0007 0.0159 -0.0080 82 SER A O 683 C CB A SER A 82 ? 0.1418 0.0853 0.0589 -0.0421 -0.0131 -0.0135 82 SER A CB 684 C CB B SER A 82 ? 0.1506 0.1032 0.0610 -0.0089 -0.0080 0.0102 82 SER A CB 685 O OG A SER A 82 ? 0.1583 0.0823 0.0588 -0.0238 -0.0327 -0.0023 82 SER A OG 686 O OG B SER A 82 ? 0.1611 0.0914 0.0596 -0.0078 -0.0197 0.0258 82 SER A OG 687 N N . LYS A 83 ? 0.0886 0.0968 0.0344 0.0123 0.0083 -0.0077 83 LYS A N 688 C CA . LYS A 83 ? 0.0890 0.1032 0.0497 0.0163 0.0144 0.0164 83 LYS A CA 689 C C . LYS A 83 ? 0.0889 0.0836 0.0453 0.0155 0.0190 0.0038 83 LYS A C 690 O O . LYS A 83 ? 0.0992 0.0867 0.0595 0.0054 0.0089 -0.0167 83 LYS A O 691 C CB . LYS A 83 ? 0.1201 0.1138 0.0733 -0.0035 0.0119 0.0086 83 LYS A CB 692 C CG . LYS A 83 ? 0.1764 0.1537 0.1258 -0.0376 0.0258 0.0219 83 LYS A CG 693 C CD . LYS A 83 ? 0.2371 0.2275 0.1872 -0.0631 0.0378 0.0288 83 LYS A CD 694 C CE . LYS A 83 ? 0.2784 0.2888 0.2306 -0.0757 0.0450 0.0244 83 LYS A CE 695 N NZ . LYS A 83 ? 0.2963 0.3322 0.2573 -0.0672 0.0496 0.0255 83 LYS A NZ 696 N N . VAL A 84 ? 0.0813 0.0784 0.0436 0.0257 0.0153 -0.0053 84 VAL A N 697 C CA . VAL A 84 ? 0.1030 0.0977 0.0608 0.0265 0.0214 0.0019 84 VAL A CA 698 C C . VAL A 84 ? 0.0918 0.1056 0.0551 0.0399 0.0103 0.0041 84 VAL A C 699 O O . VAL A 84 ? 0.1102 0.1137 0.0620 0.0315 0.0028 -0.0077 84 VAL A O 700 C CB . VAL A 84 ? 0.1430 0.1324 0.0780 -0.0165 0.0151 0.0101 84 VAL A CB 701 C CG1 . VAL A 84 ? 0.1439 0.1744 0.0882 -0.0267 0.0295 0.0041 84 VAL A CG1 702 C CG2 . VAL A 84 ? 0.1817 0.1374 0.1002 -0.0312 -0.0051 0.0132 84 VAL A CG2 703 N N . ILE A 85 ? 0.1041 0.1458 0.0556 0.0263 0.0072 0.0006 85 ILE A N 704 C CA . ILE A 85 ? 0.1076 0.1677 0.0651 0.0270 0.0007 -0.0178 85 ILE A CA 705 C C . ILE A 85 ? 0.1173 0.1963 0.0748 0.0227 0.0085 -0.0132 85 ILE A C 706 O O . ILE A 85 ? 0.1255 0.2244 0.0929 0.0215 0.0180 0.0062 85 ILE A O 707 C CB . ILE A 85 ? 0.1204 0.2133 0.0818 -0.0174 -0.0007 -0.0512 85 ILE A CB 708 C CG1 . ILE A 85 ? 0.1393 0.2580 0.1030 -0.0318 0.0247 -0.0635 85 ILE A CG1 709 C CG2 . ILE A 85 ? 0.1320 0.2124 0.0897 0.0016 -0.0036 -0.0650 85 ILE A CG2 710 C CD1 . ILE A 85 ? 0.1390 0.2843 0.1166 -0.0267 0.0287 -0.0761 85 ILE A CD1 711 N N . GLU A 86 ? 0.1097 0.2098 0.0932 0.0166 0.0039 -0.0258 86 GLU A N 712 C CA . GLU A 86 ? 0.1266 0.2248 0.1149 0.0386 0.0077 -0.0357 86 GLU A CA 713 C C . GLU A 86 ? 0.1364 0.2420 0.1365 0.0554 -0.0035 -0.0154 86 GLU A C 714 O O . GLU A 86 ? 0.1515 0.2818 0.1487 0.0420 -0.0260 -0.0042 86 GLU A O 715 C CB . GLU A 86 ? 0.1933 0.2478 0.1501 0.0375 0.0166 -0.0358 86 GLU A CB 716 C CG . GLU A 86 ? 0.2372 0.2632 0.1642 0.0090 0.0281 -0.0319 86 GLU A CG 717 C CD . GLU A 86 ? 0.2481 0.2440 0.1514 -0.0217 0.0387 -0.0260 86 GLU A CD 718 O OE1 . GLU A 86 ? 0.2331 0.2126 0.1353 -0.0473 0.0327 -0.0216 86 GLU A OE1 719 O OE2 . GLU A 86 ? 0.2590 0.2299 0.1440 -0.0210 0.0489 -0.0350 86 GLU A OE2 720 N N . LYS A 87 ? 0.1415 0.2381 0.1428 0.0780 -0.0142 -0.0257 87 LYS A N 721 C CA . LYS A 87 ? 0.1599 0.2453 0.1606 0.0706 -0.0169 -0.0428 87 LYS A CA 722 C C . LYS A 87 ? 0.1299 0.2404 0.1369 0.0611 -0.0105 -0.0365 87 LYS A C 723 O O . LYS A 87 ? 0.1298 0.2617 0.1500 0.0634 -0.0074 -0.0138 87 LYS A O 724 C CB . LYS A 87 ? 0.2088 0.2743 0.2043 0.0723 -0.0129 -0.0749 87 LYS A CB 725 C CG . LYS A 87 ? 0.2538 0.3261 0.2546 0.0566 -0.0092 -0.0904 87 LYS A CG 726 C CD . LYS A 87 ? 0.3107 0.3790 0.3082 0.0439 0.0129 -0.0807 87 LYS A CD 727 C CE . LYS A 87 ? 0.3548 0.4235 0.3511 0.0315 0.0330 -0.0656 87 LYS A CE 728 N NZ . LYS A 87 ? 0.3817 0.4577 0.3769 0.0253 0.0384 -0.0469 87 LYS A NZ 729 N N . PHE A 88 ? 0.1213 0.2253 0.1117 0.0551 0.0003 -0.0315 88 PHE A N 730 C CA . PHE A 88 ? 0.1182 0.2045 0.0983 0.0246 -0.0033 -0.0391 88 PHE A CA 731 C C . PHE A 88 ? 0.1212 0.2056 0.0900 0.0280 0.0021 -0.0161 88 PHE A C 732 O O . PHE A 88 ? 0.1472 0.2167 0.1045 0.0065 0.0275 -0.0112 88 PHE A O 733 C CB . PHE A 88 ? 0.1297 0.1910 0.1263 -0.0022 0.0150 -0.0356 88 PHE A CB 734 C CG . PHE A 88 ? 0.1536 0.1852 0.1477 -0.0014 0.0278 -0.0303 88 PHE A CG 735 C CD1 . PHE A 88 ? 0.1689 0.1741 0.1517 -0.0076 0.0358 -0.0176 88 PHE A CD1 736 C CD2 . PHE A 88 ? 0.1590 0.1602 0.1581 0.0034 0.0377 -0.0258 88 PHE A CD2 737 C CE1 . PHE A 88 ? 0.1734 0.1473 0.1660 -0.0040 0.0372 -0.0183 88 PHE A CE1 738 C CE2 . PHE A 88 ? 0.1775 0.1276 0.1658 -0.0043 0.0433 -0.0255 88 PHE A CE2 739 C CZ . PHE A 88 ? 0.1819 0.1335 0.1722 -0.0066 0.0414 -0.0294 88 PHE A CZ 740 N N . PRO A 89 ? 0.1065 0.1775 0.0757 0.0419 -0.0067 0.0102 89 PRO A N 741 C CA . PRO A 89 ? 0.1104 0.1743 0.0919 0.0614 -0.0045 0.0262 89 PRO A CA 742 C C . PRO A 89 ? 0.1240 0.1629 0.0821 0.0623 0.0048 0.0077 89 PRO A C 743 O O . PRO A 89 ? 0.1625 0.1702 0.0756 0.0419 0.0032 0.0093 89 PRO A O 744 C CB . PRO A 89 ? 0.1249 0.1932 0.1126 0.0623 0.0100 0.0215 89 PRO A CB 745 C CG . PRO A 89 ? 0.1396 0.2059 0.1179 0.0557 0.0012 0.0206 89 PRO A CG 746 C CD . PRO A 89 ? 0.1224 0.1787 0.0938 0.0460 -0.0062 0.0143 89 PRO A CD 747 N N . ALA A 90 ? 0.1267 0.1520 0.0765 0.0698 0.0138 0.0216 90 ALA A N 748 C CA . ALA A 90 ? 0.1402 0.1414 0.0746 0.0514 0.0076 0.0075 90 ALA A CA 749 C C . ALA A 90 ? 0.1339 0.1226 0.0543 0.0354 -0.0016 0.0015 90 ALA A C 750 O O . ALA A 90 ? 0.1427 0.1240 0.0648 0.0248 0.0109 0.0003 90 ALA A O 751 C CB . ALA A 90 ? 0.1603 0.1588 0.0815 0.0656 0.0214 0.0223 90 ALA A CB 752 N N . PRO A 91 ? 0.1233 0.1335 0.0469 0.0446 -0.0089 0.0035 91 PRO A N 753 C CA . PRO A 91 ? 0.1238 0.1337 0.0606 0.0450 -0.0016 0.0010 91 PRO A CA 754 C C . PRO A 91 ? 0.1044 0.1305 0.0566 0.0446 0.0089 -0.0090 91 PRO A C 755 O O . PRO A 91 ? 0.1163 0.1631 0.0516 0.0397 0.0121 -0.0052 91 PRO A O 756 C CB . PRO A 91 ? 0.1483 0.1682 0.0765 0.0206 -0.0032 0.0200 91 PRO A CB 757 C CG . PRO A 91 ? 0.1537 0.1480 0.0535 0.0252 -0.0157 -0.0083 91 PRO A CG 758 C CD . PRO A 91 ? 0.1410 0.1417 0.0495 0.0381 -0.0156 -0.0008 91 PRO A CD 759 N N . VAL A 92 ? 0.0912 0.1168 0.0470 0.0336 0.0083 0.0001 92 VAL A N 760 C CA . VAL A 92 ? 0.1016 0.1025 0.0527 0.0291 0.0145 0.0115 92 VAL A CA 761 C C . VAL A 92 ? 0.0972 0.0968 0.0402 0.0231 0.0177 -0.0086 92 VAL A C 762 O O . VAL A 92 ? 0.1101 0.1340 0.0490 0.0468 0.0154 0.0067 92 VAL A O 763 C CB . VAL A 92 ? 0.1083 0.1182 0.0815 0.0027 0.0286 0.0277 92 VAL A CB 764 C CG1 . VAL A 92 ? 0.1199 0.1258 0.1023 0.0199 0.0100 0.0257 92 VAL A CG1 765 C CG2 . VAL A 92 ? 0.1113 0.1166 0.0804 -0.0105 0.0323 0.0310 92 VAL A CG2 766 N N . HIS A 93 ? 0.0821 0.0861 0.0270 0.0106 0.0097 0.0011 93 HIS A N 767 C CA . HIS A 93 ? 0.0756 0.0873 0.0384 -0.0184 0.0196 0.0069 93 HIS A CA 768 C C . HIS A 93 ? 0.0699 0.0781 0.0364 -0.0070 0.0164 0.0072 93 HIS A C 769 O O . HIS A 93 ? 0.0700 0.0985 0.0405 -0.0053 0.0174 0.0037 93 HIS A O 770 C CB . HIS A 93 ? 0.0863 0.0764 0.0407 -0.0200 0.0142 0.0038 93 HIS A CB 771 C CG . HIS A 93 ? 0.0888 0.0768 0.0512 -0.0184 0.0073 0.0156 93 HIS A CG 772 N ND1 . HIS A 93 ? 0.0925 0.1007 0.0711 -0.0255 0.0126 0.0105 93 HIS A ND1 773 C CD2 . HIS A 93 ? 0.1035 0.0984 0.0590 -0.0077 0.0104 0.0396 93 HIS A CD2 774 C CE1 . HIS A 93 ? 0.1044 0.0879 0.0690 -0.0155 0.0070 0.0290 93 HIS A CE1 775 N NE2 . HIS A 93 ? 0.1196 0.0736 0.0723 -0.0034 0.0064 0.0157 93 HIS A NE2 776 N N . ILE A 94 ? 0.0662 0.0876 0.0400 -0.0033 0.0146 0.0095 94 ILE A N 777 C CA . ILE A 94 ? 0.0906 0.1125 0.0539 -0.0065 0.0297 0.0134 94 ILE A CA 778 C C . ILE A 94 ? 0.0802 0.1305 0.0477 -0.0079 0.0246 -0.0007 94 ILE A C 779 O O . ILE A 94 ? 0.0713 0.1685 0.0592 -0.0107 0.0187 0.0097 94 ILE A O 780 C CB . ILE A 94 ? 0.1241 0.1172 0.0700 -0.0140 0.0223 0.0001 94 ILE A CB 781 C CG1 . ILE A 94 ? 0.1566 0.1238 0.0771 -0.0082 0.0393 0.0183 94 ILE A CG1 782 C CG2 . ILE A 94 ? 0.1485 0.1497 0.0976 -0.0472 0.0208 -0.0112 94 ILE A CG2 783 C CD1 . ILE A 94 ? 0.1884 0.1533 0.1003 -0.0054 0.0393 0.0117 94 ILE A CD1 784 N N A CYS A 95 ? 0.0603 0.1090 0.0345 -0.0227 0.0097 -0.0066 95 CYS A N 785 N N B CYS A 95 ? 0.0860 0.1321 0.0390 -0.0165 0.0116 0.0034 95 CYS A N 786 C CA A CYS A 95 ? 0.0676 0.1104 0.0351 -0.0252 0.0042 -0.0063 95 CYS A CA 787 C CA B CYS A 95 ? 0.1131 0.1289 0.0497 -0.0159 0.0073 0.0124 95 CYS A CA 788 C C A CYS A 95 ? 0.0662 0.0918 0.0290 -0.0137 0.0097 0.0037 95 CYS A C 789 C C B CYS A 95 ? 0.0922 0.1096 0.0398 -0.0197 0.0179 0.0070 95 CYS A C 790 O O A CYS A 95 ? 0.0586 0.0845 0.0236 -0.0111 0.0001 0.0001 95 CYS A O 791 O O B CYS A 95 ? 0.0822 0.1016 0.0339 -0.0169 0.0150 -0.0018 95 CYS A O 792 C CB A CYS A 95 ? 0.0884 0.1191 0.0593 -0.0383 0.0040 -0.0244 95 CYS A CB 793 C CB B CYS A 95 ? 0.1690 0.1365 0.0816 -0.0114 0.0028 0.0162 95 CYS A CB 794 S SG A CYS A 95 ? 0.1301 0.1347 0.0886 -0.0297 0.0030 -0.0389 95 CYS A SG 795 S SG B CYS A 95 ? 0.2299 0.1412 0.1041 0.0034 -0.0085 0.0200 95 CYS A SG 796 N N . VAL A 96 ? 0.0812 0.0893 0.0398 -0.0147 0.0241 0.0039 96 VAL A N 797 C CA . VAL A 96 ? 0.0975 0.0799 0.0348 -0.0210 0.0128 0.0074 96 VAL A CA 798 C C . VAL A 96 ? 0.0796 0.0854 0.0410 -0.0256 0.0103 0.0162 96 VAL A C 799 O O . VAL A 96 ? 0.0758 0.0986 0.0436 -0.0203 0.0107 0.0213 96 VAL A O 800 C CB . VAL A 96 ? 0.1439 0.1017 0.0700 -0.0290 0.0143 0.0220 96 VAL A CB 801 C CG1 . VAL A 96 ? 0.1795 0.0942 0.0909 -0.0103 0.0232 0.0251 96 VAL A CG1 802 C CG2 . VAL A 96 ? 0.1671 0.1044 0.0767 -0.0478 0.0127 0.0249 96 VAL A CG2 803 N N . SER A 97 ? 0.0858 0.1242 0.0413 -0.0282 0.0106 0.0083 97 SER A N 804 C CA . SER A 97 ? 0.0872 0.1183 0.0373 -0.0243 0.0093 0.0056 97 SER A CA 805 C C . SER A 97 ? 0.0854 0.0846 0.0402 -0.0266 0.0185 0.0048 97 SER A C 806 O O . SER A 97 ? 0.0900 0.1154 0.0466 -0.0374 0.0130 0.0092 97 SER A O 807 C CB . SER A 97 ? 0.0982 0.1349 0.0411 -0.0259 0.0103 0.0040 97 SER A CB 808 O OG . SER A 97 ? 0.1139 0.1433 0.0589 -0.0202 0.0081 0.0215 97 SER A OG 809 N N . TRP A 98 ? 0.0879 0.0867 0.0377 -0.0283 0.0186 -0.0056 98 TRP A N 810 C CA . TRP A 98 ? 0.0885 0.0733 0.0348 -0.0387 0.0065 0.0017 98 TRP A CA 811 C C . TRP A 98 ? 0.0834 0.0982 0.0451 -0.0411 0.0087 0.0088 98 TRP A C 812 O O . TRP A 98 ? 0.0900 0.1235 0.0517 -0.0386 0.0141 0.0121 98 TRP A O 813 C CB . TRP A 98 ? 0.1038 0.0754 0.0382 -0.0463 0.0112 -0.0075 98 TRP A CB 814 C CG . TRP A 98 ? 0.1015 0.0903 0.0453 -0.0302 0.0076 0.0013 98 TRP A CG 815 C CD1 . TRP A 98 ? 0.1180 0.1038 0.0521 -0.0237 0.0032 -0.0030 98 TRP A CD1 816 C CD2 . TRP A 98 ? 0.1049 0.1164 0.0517 -0.0351 -0.0057 0.0004 98 TRP A CD2 817 N NE1 . TRP A 98 ? 0.1114 0.1087 0.0818 -0.0327 0.0035 -0.0068 98 TRP A NE1 818 C CE2 . TRP A 98 ? 0.1193 0.1176 0.0675 -0.0254 -0.0049 -0.0142 98 TRP A CE2 819 C CE3 . TRP A 98 ? 0.1267 0.1594 0.0448 -0.0250 0.0006 -0.0042 98 TRP A CE3 820 C CZ2 . TRP A 98 ? 0.1403 0.1497 0.0707 -0.0216 -0.0159 -0.0152 98 TRP A CZ2 821 C CZ3 . TRP A 98 ? 0.1458 0.1728 0.0529 0.0050 0.0034 -0.0114 98 TRP A CZ3 822 C CH2 . TRP A 98 ? 0.1517 0.1767 0.0649 0.0010 -0.0066 -0.0140 98 TRP A CH2 823 N N . GLU A 99 ? 0.1018 0.1179 0.0484 -0.0514 0.0036 0.0109 99 GLU A N 824 C CA . GLU A 99 ? 0.1239 0.1210 0.0664 -0.0647 -0.0029 -0.0042 99 GLU A CA 825 C C . GLU A 99 ? 0.1112 0.1224 0.0419 -0.0417 -0.0044 0.0068 99 GLU A C 826 O O . GLU A 99 ? 0.1077 0.1490 0.0488 -0.0517 0.0021 0.0066 99 GLU A O 827 C CB . GLU A 99 ? 0.1867 0.0958 0.1186 -0.0629 -0.0246 -0.0070 99 GLU A CB 828 C CG . GLU A 99 ? 0.2434 0.1493 0.1579 -0.0578 0.0229 -0.0056 99 GLU A CG 829 C CD . GLU A 99 ? 0.2758 0.1413 0.2070 -0.0463 0.0848 0.0118 99 GLU A CD 830 O OE1 . GLU A 99 ? 0.2729 0.1322 0.2130 -0.0344 0.0897 0.0203 99 GLU A OE1 831 O OE2 . GLU A 99 ? 0.3079 0.1626 0.2459 -0.0463 0.1303 0.0018 99 GLU A OE2 832 N N . SER A 100 ? 0.1196 0.1421 0.0438 -0.0284 0.0006 -0.0129 100 SER A N 833 C CA . SER A 100 ? 0.1152 0.1338 0.0466 -0.0224 0.0148 -0.0067 100 SER A CA 834 C C . SER A 100 ? 0.1160 0.1564 0.0528 -0.0279 0.0129 -0.0128 100 SER A C 835 O O . SER A 100 ? 0.1138 0.1390 0.0651 -0.0329 0.0121 -0.0338 100 SER A O 836 C CB . SER A 100 ? 0.1196 0.1603 0.0506 -0.0268 0.0108 -0.0217 100 SER A CB 837 O OG . SER A 100 ? 0.1298 0.1917 0.0624 -0.0261 0.0150 -0.0280 100 SER A OG 838 N N . SER A 101 ? 0.1143 0.1523 0.0434 -0.0272 0.0023 0.0042 101 SER A N 839 C CA . SER A 101 ? 0.1253 0.1831 0.0715 -0.0311 -0.0041 0.0139 101 SER A CA 840 C C . SER A 101 ? 0.1081 0.1653 0.0635 -0.0246 -0.0062 0.0249 101 SER A C 841 O O . SER A 101 ? 0.1190 0.2015 0.0817 -0.0287 -0.0071 0.0268 101 SER A O 842 C CB . SER A 101 ? 0.1525 0.2152 0.1087 -0.0163 0.0142 0.0441 101 SER A CB 843 O OG . SER A 101 ? 0.1706 0.2493 0.1631 -0.0315 0.0337 0.0293 101 SER A OG 844 N N . SER A 102 ? 0.1150 0.1273 0.0494 -0.0240 0.0144 0.0221 102 SER A N 845 C CA . SER A 102 ? 0.1085 0.1061 0.0466 -0.0302 0.0103 0.0146 102 SER A CA 846 C C . SER A 102 ? 0.1033 0.1006 0.0446 -0.0324 0.0133 0.0044 102 SER A C 847 O O . SER A 102 ? 0.1188 0.1146 0.0799 -0.0238 0.0325 0.0270 102 SER A O 848 C CB . SER A 102 ? 0.1177 0.1048 0.0714 -0.0247 0.0042 0.0124 102 SER A CB 849 O OG . SER A 102 ? 0.1206 0.1172 0.0716 -0.0108 0.0009 0.0020 102 SER A OG 850 N N . GLY A 103 ? 0.0926 0.0919 0.0342 -0.0226 0.0112 -0.0121 103 GLY A N 851 C CA . GLY A 103 ? 0.0940 0.0924 0.0502 -0.0178 0.0205 -0.0194 103 GLY A CA 852 C C . GLY A 103 ? 0.0857 0.0701 0.0429 -0.0200 0.0266 -0.0035 103 GLY A C 853 O O . GLY A 103 ? 0.0934 0.0758 0.0537 -0.0125 0.0055 -0.0013 103 GLY A O 854 N N . ILE A 104 ? 0.0869 0.0796 0.0361 -0.0247 0.0170 0.0020 104 ILE A N 855 C CA . ILE A 104 ? 0.0761 0.0683 0.0389 -0.0323 0.0170 -0.0025 104 ILE A CA 856 C C . ILE A 104 ? 0.0820 0.0712 0.0427 -0.0322 0.0206 -0.0027 104 ILE A C 857 O O . ILE A 104 ? 0.0867 0.1085 0.0444 -0.0434 0.0143 -0.0028 104 ILE A O 858 C CB . ILE A 104 ? 0.1075 0.1086 0.0432 -0.0167 0.0185 -0.0052 104 ILE A CB 859 C CG1 . ILE A 104 ? 0.1242 0.1474 0.0507 -0.0141 0.0269 0.0106 104 ILE A CG1 860 C CG2 . ILE A 104 ? 0.1147 0.1103 0.0474 0.0200 0.0151 -0.0155 104 ILE A CG2 861 C CD1 . ILE A 104 ? 0.1320 0.1697 0.0796 -0.0275 0.0394 0.0266 104 ILE A CD1 862 N N . ALA A 105 ? 0.0839 0.1106 0.0355 -0.0321 0.0052 -0.0077 105 ALA A N 863 C CA . ALA A 105 ? 0.1064 0.1056 0.0483 -0.0433 0.0181 -0.0219 105 ALA A CA 864 C C . ALA A 105 ? 0.0964 0.0805 0.0429 -0.0420 0.0207 -0.0136 105 ALA A C 865 O O . ALA A 105 ? 0.1115 0.1150 0.0573 -0.0456 0.0293 -0.0109 105 ALA A O 866 C CB . ALA A 105 ? 0.1242 0.1403 0.0652 -0.0182 0.0260 -0.0392 105 ALA A CB 867 N N . GLU A 106 ? 0.0781 0.0922 0.0375 -0.0241 0.0185 -0.0111 106 GLU A N 868 C CA . GLU A 106 ? 0.1029 0.1186 0.0478 -0.0326 0.0177 -0.0235 106 GLU A CA 869 C C . GLU A 106 ? 0.0805 0.1463 0.0532 -0.0455 0.0167 -0.0161 106 GLU A C 870 O O . GLU A 106 ? 0.1062 0.2135 0.0670 -0.0499 0.0139 0.0029 106 GLU A O 871 C CB . GLU A 106 ? 0.1651 0.1601 0.0826 -0.0230 0.0198 -0.0261 106 GLU A CB 872 C CG . GLU A 106 ? 0.2194 0.2058 0.1251 -0.0175 0.0140 0.0005 106 GLU A CG 873 C CD . GLU A 106 ? 0.2648 0.2373 0.1706 -0.0138 -0.0144 0.0217 106 GLU A CD 874 O OE1 . GLU A 106 ? 0.2706 0.2102 0.1582 0.0052 -0.0420 0.0450 106 GLU A OE1 875 O OE2 . GLU A 106 ? 0.3036 0.2896 0.2078 -0.0148 -0.0042 0.0340 106 GLU A OE2 876 N N . PHE A 107 ? 0.0858 0.1318 0.0475 -0.0467 0.0138 -0.0082 107 PHE A N 877 C CA . PHE A 107 ? 0.0885 0.1019 0.0427 -0.0281 0.0215 -0.0032 107 PHE A CA 878 C C . PHE A 107 ? 0.0682 0.0732 0.0317 -0.0157 0.0107 0.0127 107 PHE A C 879 O O . PHE A 107 ? 0.0742 0.0863 0.0368 -0.0097 0.0217 0.0090 107 PHE A O 880 C CB . PHE A 107 ? 0.1178 0.0945 0.0441 -0.0289 0.0235 -0.0044 107 PHE A CB 881 C CG . PHE A 107 ? 0.1421 0.0925 0.0561 -0.0283 0.0347 -0.0025 107 PHE A CG 882 C CD1 . PHE A 107 ? 0.1459 0.1005 0.0624 -0.0184 0.0423 -0.0138 107 PHE A CD1 883 C CD2 . PHE A 107 ? 0.1722 0.1267 0.0577 -0.0163 0.0345 -0.0019 107 PHE A CD2 884 C CE1 . PHE A 107 ? 0.1552 0.1065 0.0708 -0.0171 0.0432 -0.0137 107 PHE A CE1 885 C CE2 . PHE A 107 ? 0.1805 0.1067 0.0635 -0.0195 0.0405 -0.0052 107 PHE A CE2 886 C CZ . PHE A 107 ? 0.1810 0.1031 0.0720 -0.0018 0.0494 -0.0099 107 PHE A CZ 887 N N . TRP A 108 ? 0.0716 0.0641 0.0284 -0.0156 0.0093 0.0095 108 TRP A N 888 C CA . TRP A 108 ? 0.0766 0.0547 0.0343 -0.0073 0.0099 0.0062 108 TRP A CA 889 C C . TRP A 108 ? 0.0674 0.0620 0.0395 0.0057 0.0170 0.0087 108 TRP A C 890 O O . TRP A 108 ? 0.0635 0.1078 0.0592 0.0079 0.0087 0.0008 108 TRP A O 891 C CB . TRP A 108 ? 0.0991 0.0557 0.0609 0.0015 0.0041 0.0216 108 TRP A CB 892 C CG . TRP A 108 ? 0.1092 0.0666 0.0875 -0.0059 0.0025 0.0434 108 TRP A CG 893 C CD1 . TRP A 108 ? 0.1463 0.1035 0.1116 0.0124 -0.0003 0.0409 108 TRP A CD1 894 C CD2 . TRP A 108 ? 0.1117 0.0762 0.1073 -0.0127 0.0116 0.0483 108 TRP A CD2 895 N NE1 . TRP A 108 ? 0.1618 0.1036 0.1271 0.0088 -0.0046 0.0556 108 TRP A NE1 896 C CE2 . TRP A 108 ? 0.1403 0.0945 0.1331 0.0093 0.0064 0.0501 108 TRP A CE2 897 C CE3 . TRP A 108 ? 0.1243 0.0871 0.1286 0.0125 0.0255 0.0569 108 TRP A CE3 898 C CZ2 . TRP A 108 ? 0.1461 0.1161 0.1591 0.0108 0.0068 0.0613 108 TRP A CZ2 899 C CZ3 . TRP A 108 ? 0.1434 0.1245 0.1624 0.0141 0.0211 0.0561 108 TRP A CZ3 900 C CH2 . TRP A 108 ? 0.1494 0.1187 0.1695 0.0245 0.0189 0.0749 108 TRP A CH2 901 N N . ILE A 109 ? 0.0649 0.0688 0.0435 0.0035 0.0270 0.0077 109 ILE A N 902 C CA . ILE A 109 ? 0.0703 0.0796 0.0538 0.0058 0.0116 0.0035 109 ILE A CA 903 C C . ILE A 109 ? 0.0693 0.0915 0.0409 0.0093 0.0186 -0.0174 109 ILE A C 904 O O . ILE A 109 ? 0.0872 0.1141 0.0485 -0.0010 0.0214 -0.0252 109 ILE A O 905 C CB . ILE A 109 ? 0.0854 0.1101 0.0641 0.0154 0.0130 0.0090 109 ILE A CB 906 C CG1 . ILE A 109 ? 0.1055 0.0798 0.0928 0.0065 0.0216 0.0240 109 ILE A CG1 907 C CG2 . ILE A 109 ? 0.1023 0.1444 0.0750 0.0196 -0.0004 0.0075 109 ILE A CG2 908 C CD1 . ILE A 109 ? 0.1299 0.0533 0.1143 -0.0077 0.0417 0.0019 109 ILE A CD1 909 N N . ASN A 110 ? 0.0506 0.1011 0.0480 0.0110 -0.0010 -0.0178 110 ASN A N 910 C CA . ASN A 110 ? 0.0711 0.1336 0.0745 0.0004 0.0002 -0.0382 110 ASN A CA 911 C C . ASN A 110 ? 0.0840 0.1088 0.1108 -0.0179 -0.0046 -0.0594 110 ASN A C 912 O O . ASN A 110 ? 0.1105 0.1636 0.1434 0.0066 -0.0044 -0.0758 110 ASN A O 913 C CB . ASN A 110 ? 0.0942 0.1885 0.0758 0.0212 0.0101 -0.0371 110 ASN A CB 914 C CG . ASN A 110 ? 0.1216 0.2126 0.0722 0.0324 0.0067 -0.0378 110 ASN A CG 915 O OD1 . ASN A 110 ? 0.1109 0.1898 0.0802 0.0345 -0.0062 -0.0539 110 ASN A OD1 916 N ND2 . ASN A 110 ? 0.1565 0.2793 0.0825 0.0412 0.0114 -0.0272 110 ASN A ND2 917 N N . GLY A 111 ? 0.0808 0.0886 0.1282 -0.0075 -0.0059 -0.0529 111 GLY A N 918 C CA . GLY A 111 ? 0.0960 0.0992 0.1528 0.0021 0.0016 -0.0322 111 GLY A CA 919 C C . GLY A 111 ? 0.0994 0.1305 0.1575 0.0135 0.0013 -0.0344 111 GLY A C 920 O O . GLY A 111 ? 0.1358 0.1637 0.1898 0.0320 0.0046 -0.0174 111 GLY A O 921 N N A THR A 112 ? 0.0755 0.1136 0.1337 0.0096 0.0044 -0.0463 112 THR A N 922 N N B THR A 112 ? 0.0858 0.1306 0.1468 0.0018 0.0149 -0.0366 112 THR A N 923 C CA A THR A 112 ? 0.0740 0.1442 0.1136 0.0031 0.0053 -0.0506 112 THR A CA 924 C CA B THR A 112 ? 0.0835 0.1536 0.1362 -0.0096 0.0254 -0.0304 112 THR A CA 925 C C A THR A 112 ? 0.0598 0.0938 0.0798 0.0025 0.0047 -0.0352 112 THR A C 926 C C B THR A 112 ? 0.0659 0.1111 0.1007 -0.0032 0.0241 -0.0280 112 THR A C 927 O O A THR A 112 ? 0.0695 0.0797 0.0751 0.0015 0.0018 -0.0247 112 THR A O 928 O O B THR A 112 ? 0.0686 0.1132 0.1024 -0.0038 0.0357 -0.0285 112 THR A O 929 C CB A THR A 112 ? 0.0804 0.2141 0.1147 -0.0108 0.0111 -0.0595 112 THR A CB 930 C CB B THR A 112 ? 0.0943 0.2108 0.1516 -0.0343 0.0381 -0.0194 112 THR A CB 931 O OG1 A THR A 112 ? 0.1073 0.2794 0.1274 -0.0307 0.0069 -0.0583 112 THR A OG1 932 O OG1 B THR A 112 ? 0.0880 0.2373 0.1456 -0.0297 0.0420 -0.0194 112 THR A OG1 933 C CG2 A THR A 112 ? 0.0619 0.2077 0.0946 -0.0036 0.0012 -0.0707 112 THR A CG2 934 C CG2 B THR A 112 ? 0.1137 0.2317 0.1639 -0.0622 0.0354 -0.0113 112 THR A CG2 935 N N . PRO A 113 ? 0.0582 0.0773 0.0779 -0.0028 0.0160 -0.0194 113 PRO A N 936 C CA . PRO A 113 ? 0.0438 0.0571 0.0592 -0.0152 0.0014 -0.0139 113 PRO A CA 937 C C . PRO A 113 ? 0.0624 0.0498 0.0436 0.0011 0.0151 -0.0075 113 PRO A C 938 O O . PRO A 113 ? 0.0835 0.0778 0.0480 -0.0041 0.0290 -0.0120 113 PRO A O 939 C CB . PRO A 113 ? 0.0605 0.0789 0.0779 -0.0196 -0.0034 -0.0062 113 PRO A CB 940 C CG . PRO A 113 ? 0.0669 0.0849 0.1069 0.0053 0.0042 -0.0064 113 PRO A CG 941 C CD . PRO A 113 ? 0.0705 0.0506 0.0944 0.0006 0.0116 -0.0187 113 PRO A CD 942 N N . LEU A 114 ? 0.0552 0.0274 0.0231 -0.0082 0.0119 -0.0072 114 LEU A N 943 C CA . LEU A 114 ? 0.0611 0.0365 0.0290 -0.0037 0.0109 0.0101 114 LEU A CA 944 C C . LEU A 114 ? 0.0637 0.0389 0.0354 -0.0038 0.0148 0.0137 114 LEU A C 945 O O . LEU A 114 ? 0.0827 0.0446 0.0553 -0.0060 0.0084 0.0223 114 LEU A O 946 C CB . LEU A 114 ? 0.0627 0.0625 0.0399 0.0010 0.0128 0.0155 114 LEU A CB 947 C CG . LEU A 114 ? 0.0869 0.0943 0.0521 0.0206 -0.0056 0.0164 114 LEU A CG 948 C CD1 . LEU A 114 ? 0.0812 0.0866 0.0632 0.0120 0.0176 0.0013 114 LEU A CD1 949 C CD2 . LEU A 114 ? 0.1122 0.1397 0.0692 0.0240 -0.0176 0.0302 114 LEU A CD2 950 N N . VAL A 115 ? 0.0764 0.0281 0.0286 -0.0160 0.0085 0.0001 115 VAL A N 951 C CA . VAL A 115 ? 0.0729 0.0390 0.0353 -0.0079 0.0136 -0.0065 115 VAL A CA 952 C C . VAL A 115 ? 0.0644 0.0428 0.0375 -0.0020 0.0057 -0.0013 115 VAL A C 953 O O . VAL A 115 ? 0.0672 0.0744 0.0571 0.0089 0.0210 -0.0020 115 VAL A O 954 C CB . VAL A 115 ? 0.0755 0.0806 0.0339 -0.0184 0.0163 0.0054 115 VAL A CB 955 C CG1 . VAL A 115 ? 0.0875 0.0765 0.0343 -0.0252 0.0168 -0.0039 115 VAL A CG1 956 C CG2 . VAL A 115 ? 0.0676 0.0773 0.0372 -0.0136 0.0200 0.0097 115 VAL A CG2 957 N N . LYS A 116 ? 0.0679 0.0566 0.0452 -0.0066 0.0112 -0.0039 116 LYS A N 958 C CA . LYS A 116 ? 0.0740 0.0638 0.0391 -0.0182 0.0073 -0.0111 116 LYS A CA 959 C C . LYS A 116 ? 0.0873 0.0837 0.0401 -0.0272 0.0186 -0.0061 116 LYS A C 960 O O . LYS A 116 ? 0.1166 0.1174 0.0531 -0.0352 0.0249 -0.0038 116 LYS A O 961 C CB . LYS A 116 ? 0.0963 0.0882 0.0544 -0.0124 0.0055 -0.0068 116 LYS A CB 962 C CG . LYS A 116 ? 0.1493 0.1129 0.0927 -0.0216 -0.0154 0.0031 116 LYS A CG 963 C CD . LYS A 116 ? 0.1953 0.1491 0.1382 -0.0141 -0.0292 0.0106 116 LYS A CD 964 C CE . LYS A 116 ? 0.2154 0.1751 0.1896 0.0075 -0.0223 -0.0184 116 LYS A CE 965 N NZ . LYS A 116 ? 0.2123 0.1467 0.2286 0.0023 -0.0127 -0.0662 116 LYS A NZ 966 N N . LYS A 117 ? 0.0975 0.0791 0.0377 -0.0143 0.0121 0.0026 117 LYS A N 967 C CA . LYS A 117 ? 0.0978 0.0724 0.0347 -0.0311 0.0068 0.0055 117 LYS A CA 968 C C . LYS A 117 ? 0.1034 0.0899 0.0445 -0.0415 0.0113 0.0065 117 LYS A C 969 O O . LYS A 117 ? 0.1393 0.1355 0.0663 -0.0730 0.0090 0.0069 117 LYS A O 970 C CB . LYS A 117 ? 0.1018 0.0905 0.0434 -0.0171 0.0063 -0.0105 117 LYS A CB 971 C CG . LYS A 117 ? 0.0983 0.0959 0.0450 -0.0085 -0.0046 0.0126 117 LYS A CG 972 C CD . LYS A 117 ? 0.1379 0.1243 0.0570 -0.0093 0.0091 0.0386 117 LYS A CD 973 C CE . LYS A 117 ? 0.1476 0.1391 0.0649 -0.0022 0.0060 0.0290 117 LYS A CE 974 N NZ . LYS A 117 ? 0.1499 0.1197 0.0705 -0.0146 0.0156 0.0195 117 LYS A NZ 975 N N . GLY A 118 ? 0.0862 0.0616 0.0324 -0.0144 0.0165 -0.0114 118 GLY A N 976 C CA . GLY A 118 ? 0.0954 0.0693 0.0339 -0.0095 0.0204 0.0012 118 GLY A CA 977 C C . GLY A 118 ? 0.1133 0.0704 0.0388 -0.0294 0.0155 -0.0115 118 GLY A C 978 O O . GLY A 118 ? 0.1285 0.0824 0.0531 -0.0316 0.0328 -0.0145 118 GLY A O 979 N N . LEU A 119 ? 0.1045 0.0785 0.0353 -0.0125 0.0194 -0.0057 119 LEU A N 980 C CA . LEU A 119 ? 0.1027 0.0875 0.0361 -0.0128 0.0195 -0.0089 119 LEU A CA 981 C C . LEU A 119 ? 0.0978 0.0832 0.0319 -0.0173 0.0107 -0.0093 119 LEU A C 982 O O . LEU A 119 ? 0.0915 0.0947 0.0349 -0.0260 0.0046 -0.0140 119 LEU A O 983 C CB . LEU A 119 ? 0.1042 0.0827 0.0388 0.0007 0.0138 -0.0208 119 LEU A CB 984 C CG . LEU A 119 ? 0.0954 0.0745 0.0532 0.0018 0.0278 -0.0133 119 LEU A CG 985 C CD1 . LEU A 119 ? 0.0919 0.1123 0.0693 0.0173 0.0287 -0.0112 119 LEU A CD1 986 C CD2 . LEU A 119 ? 0.0919 0.0793 0.0658 -0.0030 0.0185 -0.0327 119 LEU A CD2 987 N N . ARG A 120 ? 0.1024 0.0881 0.0435 -0.0285 0.0097 -0.0226 120 ARG A N 988 C CA . ARG A 120 ? 0.1020 0.1078 0.0428 -0.0032 0.0069 -0.0288 120 ARG A CA 989 C C . ARG A 120 ? 0.0980 0.0994 0.0435 -0.0232 0.0135 -0.0244 120 ARG A C 990 O O . ARG A 120 ? 0.1138 0.1382 0.0470 -0.0192 0.0151 -0.0157 120 ARG A O 991 C CB . ARG A 120 ? 0.1242 0.1459 0.0536 -0.0039 0.0098 -0.0348 120 ARG A CB 992 C CG . ARG A 120 ? 0.1492 0.1933 0.0808 -0.0119 0.0186 -0.0452 120 ARG A CG 993 C CD . ARG A 120 ? 0.1731 0.2307 0.1102 -0.0131 0.0406 -0.0246 120 ARG A CD 994 N NE . ARG A 120 ? 0.1750 0.2429 0.1356 -0.0170 0.0644 -0.0317 120 ARG A NE 995 C CZ . ARG A 120 ? 0.1771 0.1979 0.1422 -0.0288 0.0341 -0.0619 120 ARG A CZ 996 N NH1 . ARG A 120 ? 0.2056 0.1995 0.1736 -0.0174 0.0492 -0.0411 120 ARG A NH1 997 N NH2 . ARG A 120 ? 0.1626 0.2078 0.1316 -0.0208 0.0211 -0.0913 120 ARG A NH2 998 N N . GLN A 121 ? 0.1035 0.1263 0.0446 -0.0212 0.0101 -0.0239 121 GLN A N 999 C CA . GLN A 121 ? 0.1062 0.1412 0.0470 -0.0392 0.0084 -0.0174 121 GLN A CA 1000 C C . GLN A 121 ? 0.1147 0.1631 0.0530 -0.0505 -0.0008 -0.0133 121 GLN A C 1001 O O . GLN A 121 ? 0.1347 0.1820 0.0600 -0.0517 -0.0034 -0.0178 121 GLN A O 1002 C CB . GLN A 121 ? 0.1051 0.1413 0.0712 -0.0412 0.0121 -0.0184 121 GLN A CB 1003 C CG . GLN A 121 ? 0.1113 0.1447 0.0805 -0.0318 0.0098 -0.0065 121 GLN A CG 1004 C CD . GLN A 121 ? 0.1227 0.1603 0.1180 -0.0346 0.0028 0.0099 121 GLN A CD 1005 O OE1 . GLN A 121 ? 0.1254 0.2006 0.1526 -0.0128 0.0235 0.0133 121 GLN A OE1 1006 N NE2 . GLN A 121 ? 0.1293 0.1730 0.1154 -0.0236 -0.0052 0.0159 121 GLN A NE2 1007 N N . GLY A 122 ? 0.1279 0.1728 0.0510 -0.0423 0.0014 0.0008 122 GLY A N 1008 C CA . GLY A 122 ? 0.1351 0.1903 0.0522 -0.0216 0.0101 -0.0043 122 GLY A CA 1009 C C . GLY A 122 ? 0.1390 0.2019 0.0587 -0.0153 0.0204 -0.0128 122 GLY A C 1010 O O . GLY A 122 ? 0.1651 0.2504 0.0685 -0.0140 0.0195 0.0021 122 GLY A O 1011 N N . TYR A 123 ? 0.1288 0.1843 0.0627 -0.0185 0.0144 -0.0362 123 TYR A N 1012 C CA . TYR A 123 ? 0.1345 0.1795 0.0647 -0.0150 0.0192 -0.0381 123 TYR A CA 1013 C C . TYR A 123 ? 0.1356 0.1998 0.0749 -0.0099 0.0183 -0.0265 123 TYR A C 1014 O O . TYR A 123 ? 0.1333 0.1862 0.0868 -0.0224 0.0123 -0.0269 123 TYR A O 1015 C CB . TYR A 123 ? 0.1337 0.1785 0.0740 -0.0157 0.0242 -0.0410 123 TYR A CB 1016 C CG . TYR A 123 ? 0.1307 0.1952 0.0817 -0.0136 0.0261 -0.0514 123 TYR A CG 1017 C CD1 . TYR A 123 ? 0.1337 0.2121 0.1061 0.0048 0.0219 -0.0681 123 TYR A CD1 1018 C CD2 . TYR A 123 ? 0.1377 0.1969 0.0768 -0.0080 0.0304 -0.0419 123 TYR A CD2 1019 C CE1 . TYR A 123 ? 0.1418 0.2109 0.1176 0.0176 0.0172 -0.0754 123 TYR A CE1 1020 C CE2 . TYR A 123 ? 0.1358 0.2022 0.0932 -0.0082 0.0262 -0.0487 123 TYR A CE2 1021 C CZ . TYR A 123 ? 0.1376 0.2061 0.1232 0.0075 0.0129 -0.0652 123 TYR A CZ 1022 O OH . TYR A 123 ? 0.1429 0.2371 0.1506 0.0066 0.0136 -0.0808 123 TYR A OH 1023 N N . PHE A 124 ? 0.1375 0.2128 0.0869 0.0052 0.0240 -0.0188 124 PHE A N 1024 C CA . PHE A 124 ? 0.1681 0.2594 0.1173 -0.0212 0.0254 0.0188 124 PHE A CA 1025 C C . PHE A 124 ? 0.1568 0.2434 0.1166 -0.0167 0.0331 -0.0105 124 PHE A C 1026 O O . PHE A 124 ? 0.1718 0.2574 0.1300 -0.0225 0.0436 -0.0246 124 PHE A O 1027 C CB . PHE A 124 ? 0.2052 0.3288 0.1589 -0.0273 0.0256 0.0757 124 PHE A CB 1028 C CG . PHE A 124 ? 0.2452 0.3980 0.2035 -0.0250 0.0249 0.1285 124 PHE A CG 1029 C CD1 . PHE A 124 ? 0.2735 0.4382 0.2244 -0.0193 0.0164 0.1541 124 PHE A CD1 1030 C CD2 . PHE A 124 ? 0.2701 0.4363 0.2362 -0.0259 0.0252 0.1356 124 PHE A CD2 1031 C CE1 . PHE A 124 ? 0.2813 0.4621 0.2385 -0.0227 0.0066 0.1632 124 PHE A CE1 1032 C CE2 . PHE A 124 ? 0.2862 0.4687 0.2456 -0.0261 0.0141 0.1448 124 PHE A CE2 1033 C CZ . PHE A 124 ? 0.2868 0.4765 0.2485 -0.0229 0.0046 0.1546 124 PHE A CZ 1034 N N . VAL A 125 ? 0.1487 0.2330 0.0940 -0.0159 0.0280 -0.0116 125 VAL A N 1035 C CA . VAL A 125 ? 0.1388 0.2552 0.0806 -0.0187 0.0288 -0.0257 125 VAL A CA 1036 C C . VAL A 125 ? 0.1533 0.2803 0.0828 -0.0100 0.0227 -0.0297 125 VAL A C 1037 O O . VAL A 125 ? 0.1596 0.2853 0.0825 -0.0061 0.0281 -0.0113 125 VAL A O 1038 C CB . VAL A 125 ? 0.1362 0.2610 0.0945 -0.0049 0.0251 -0.0282 125 VAL A CB 1039 C CG1 . VAL A 125 ? 0.1368 0.2754 0.0929 0.0018 0.0165 -0.0370 125 VAL A CG1 1040 C CG2 . VAL A 125 ? 0.1487 0.2728 0.0965 0.0057 0.0249 -0.0102 125 VAL A CG2 1041 N N . GLU A 126 ? 0.1630 0.2982 0.0919 0.0062 0.0242 -0.0383 126 GLU A N 1042 C CA . GLU A 126 ? 0.1903 0.3568 0.1205 0.0107 0.0207 -0.0507 126 GLU A CA 1043 C C . GLU A 126 ? 0.1950 0.3847 0.1165 0.0256 0.0333 -0.0313 126 GLU A C 1044 O O . GLU A 126 ? 0.1824 0.3817 0.1068 0.0218 0.0137 -0.0202 126 GLU A O 1045 C CB . GLU A 126 ? 0.2166 0.3921 0.1813 -0.0170 0.0062 -0.0764 126 GLU A CB 1046 C CG . GLU A 126 ? 0.2509 0.4274 0.2475 -0.0372 0.0028 -0.0858 126 GLU A CG 1047 C CD . GLU A 126 ? 0.2796 0.4595 0.3102 -0.0592 -0.0055 -0.0811 126 GLU A CD 1048 O OE1 . GLU A 126 ? 0.3016 0.4680 0.3363 -0.0531 -0.0060 -0.0803 126 GLU A OE1 1049 O OE2 . GLU A 126 ? 0.2826 0.4702 0.3234 -0.0781 -0.0192 -0.0887 126 GLU A OE2 1050 N N . ALA A 127 ? 0.2023 0.4186 0.1379 0.0295 0.0530 -0.0037 127 ALA A N 1051 C CA . ALA A 127 ? 0.2152 0.4388 0.1576 0.0375 0.0448 0.0119 127 ALA A CA 1052 C C . ALA A 127 ? 0.2139 0.4270 0.1483 0.0587 0.0503 0.0025 127 ALA A C 1053 O O . ALA A 127 ? 0.2006 0.4148 0.1594 0.0634 0.0625 0.0020 127 ALA A O 1054 C CB . ALA A 127 ? 0.2243 0.4579 0.1783 0.0282 0.0439 0.0284 127 ALA A CB 1055 N N . GLN A 128 ? 0.2328 0.4249 0.1344 0.0632 0.0448 -0.0055 128 GLN A N 1056 C CA . GLN A 128 ? 0.2467 0.4266 0.1498 0.0647 0.0488 -0.0154 128 GLN A CA 1057 C C . GLN A 128 ? 0.2132 0.3660 0.1251 0.0563 0.0472 -0.0216 128 GLN A C 1058 O O . GLN A 128 ? 0.2121 0.3448 0.1147 0.0463 0.0475 -0.0153 128 GLN A O 1059 C CB . GLN A 128 ? 0.2957 0.4818 0.1872 0.0683 0.0573 -0.0056 128 GLN A CB 1060 C CG . GLN A 128 ? 0.3489 0.5342 0.2302 0.0590 0.0594 -0.0013 128 GLN A CG 1061 C CD . GLN A 128 ? 0.4011 0.5793 0.2806 0.0370 0.0552 0.0067 128 GLN A CD 1062 O OE1 . GLN A 128 ? 0.4286 0.5977 0.2999 0.0239 0.0575 0.0032 128 GLN A OE1 1063 N NE2 . GLN A 128 ? 0.4119 0.5960 0.3020 0.0307 0.0499 0.0136 128 GLN A NE2 1064 N N . PRO A 129 ? 0.1899 0.3426 0.1051 0.0452 0.0298 -0.0168 129 PRO A N 1065 C CA . PRO A 129 ? 0.1737 0.3157 0.0930 0.0227 0.0297 -0.0145 129 PRO A CA 1066 C C . PRO A 129 ? 0.1624 0.3095 0.0932 0.0000 0.0325 -0.0176 129 PRO A C 1067 O O . PRO A 129 ? 0.1827 0.3580 0.1191 -0.0016 0.0292 -0.0162 129 PRO A O 1068 C CB . PRO A 129 ? 0.1727 0.3029 0.0909 0.0244 0.0262 -0.0256 129 PRO A CB 1069 C CG . PRO A 129 ? 0.1833 0.3170 0.0951 0.0313 0.0288 -0.0215 129 PRO A CG 1070 C CD . PRO A 129 ? 0.1911 0.3372 0.1068 0.0375 0.0208 -0.0051 129 PRO A CD 1071 N N . LYS A 130 ? 0.1481 0.2731 0.0874 0.0008 0.0299 -0.0299 130 LYS A N 1072 C CA . LYS A 130 ? 0.1431 0.2473 0.1032 0.0039 0.0401 -0.0279 130 LYS A CA 1073 C C . LYS A 130 ? 0.1164 0.1941 0.0895 -0.0024 0.0263 -0.0330 130 LYS A C 1074 O O . LYS A 130 ? 0.1292 0.1851 0.0968 0.0041 0.0161 -0.0356 130 LYS A O 1075 C CB . LYS A 130 ? 0.1869 0.2921 0.1268 0.0206 0.0558 -0.0440 130 LYS A CB 1076 C CG . LYS A 130 ? 0.2430 0.3630 0.1597 0.0214 0.0705 -0.0492 130 LYS A CG 1077 C CD . LYS A 130 ? 0.2776 0.4257 0.1893 0.0266 0.1000 -0.0450 130 LYS A CD 1078 C CE . LYS A 130 ? 0.2855 0.4607 0.2154 0.0331 0.1154 -0.0301 130 LYS A CE 1079 N NZ . LYS A 130 ? 0.3044 0.4883 0.2472 0.0351 0.0968 -0.0196 130 LYS A NZ 1080 N N . ILE A 131 ? 0.0988 0.1758 0.0809 -0.0007 0.0317 -0.0386 131 ILE A N 1081 C CA . ILE A 131 ? 0.0901 0.1654 0.0787 -0.0064 0.0336 -0.0243 131 ILE A CA 1082 C C . ILE A 131 ? 0.0857 0.1614 0.0769 -0.0254 0.0173 -0.0122 131 ILE A C 1083 O O . ILE A 131 ? 0.0858 0.1861 0.0885 -0.0193 0.0054 0.0154 131 ILE A O 1084 C CB . ILE A 131 ? 0.1107 0.1785 0.0816 -0.0146 0.0291 -0.0237 131 ILE A CB 1085 C CG1 . ILE A 131 ? 0.1218 0.1967 0.0900 -0.0356 0.0215 -0.0075 131 ILE A CG1 1086 C CG2 . ILE A 131 ? 0.1250 0.1724 0.0835 -0.0054 0.0247 -0.0214 131 ILE A CG2 1087 C CD1 . ILE A 131 ? 0.1279 0.2146 0.1011 -0.0347 0.0136 0.0072 131 ILE A CD1 1088 N N . VAL A 132 ? 0.0856 0.1520 0.0777 -0.0158 0.0275 -0.0243 132 VAL A N 1089 C CA . VAL A 132 ? 0.1037 0.1554 0.0810 -0.0091 0.0265 -0.0271 132 VAL A CA 1090 C C . VAL A 132 ? 0.1059 0.1426 0.0755 -0.0257 0.0309 -0.0228 132 VAL A C 1091 O O . VAL A 132 ? 0.1128 0.1640 0.0771 -0.0296 0.0361 -0.0239 132 VAL A O 1092 C CB . VAL A 132 ? 0.1262 0.1776 0.0903 0.0232 0.0266 -0.0411 132 VAL A CB 1093 C CG1 . VAL A 132 ? 0.1297 0.1853 0.1118 0.0277 0.0259 -0.0277 132 VAL A CG1 1094 C CG2 . VAL A 132 ? 0.1410 0.2119 0.0870 0.0252 0.0340 -0.0366 132 VAL A CG2 1095 N N . LEU A 133 ? 0.1112 0.1194 0.0672 -0.0096 0.0232 -0.0207 133 LEU A N 1096 C CA . LEU A 133 ? 0.1039 0.1168 0.0825 0.0077 0.0371 -0.0257 133 LEU A CA 1097 C C . LEU A 133 ? 0.1130 0.1017 0.0755 0.0160 0.0343 -0.0216 133 LEU A C 1098 O O . LEU A 133 ? 0.1259 0.1308 0.0825 0.0127 0.0251 -0.0148 133 LEU A O 1099 C CB . LEU A 133 ? 0.1007 0.1171 0.1102 0.0031 0.0269 -0.0241 133 LEU A CB 1100 C CG . LEU A 133 ? 0.1017 0.1298 0.1379 -0.0030 0.0146 -0.0119 133 LEU A CG 1101 C CD1 . LEU A 133 ? 0.1043 0.1219 0.1478 -0.0343 0.0117 -0.0138 133 LEU A CD1 1102 C CD2 . LEU A 133 ? 0.1056 0.1279 0.1557 0.0025 0.0099 -0.0033 133 LEU A CD2 1103 N N . GLY A 134 ? 0.1200 0.1066 0.0796 0.0231 0.0194 -0.0139 134 GLY A N 1104 C CA . GLY A 134 ? 0.1317 0.1057 0.0822 0.0174 0.0090 -0.0090 134 GLY A CA 1105 C C . GLY A 134 ? 0.1501 0.1030 0.0800 0.0202 0.0137 -0.0012 134 GLY A C 1106 O O . GLY A 134 ? 0.1488 0.1287 0.0773 0.0155 0.0131 -0.0096 134 GLY A O 1107 N N . GLN A 135 ? 0.1561 0.1175 0.0835 0.0194 0.0130 -0.0072 135 GLN A N 1108 C CA . GLN A 135 ? 0.1607 0.1138 0.0893 0.0303 0.0091 -0.0161 135 GLN A CA 1109 C C . GLN A 135 ? 0.1641 0.0883 0.0915 0.0174 -0.0040 -0.0089 135 GLN A C 1110 O O . GLN A 135 ? 0.1753 0.1174 0.1174 0.0264 -0.0075 -0.0042 135 GLN A O 1111 C CB . GLN A 135 ? 0.1623 0.1528 0.1030 0.0205 0.0101 -0.0357 135 GLN A CB 1112 C CG . GLN A 135 ? 0.1590 0.1621 0.1199 0.0087 0.0150 -0.0403 135 GLN A CG 1113 C CD . GLN A 135 ? 0.1435 0.1519 0.1127 -0.0074 0.0252 -0.0493 135 GLN A CD 1114 O OE1 . GLN A 135 ? 0.1556 0.1663 0.1217 0.0065 0.0114 -0.0315 135 GLN A OE1 1115 N NE2 . GLN A 135 ? 0.1359 0.1456 0.1227 -0.0231 0.0323 -0.0427 135 GLN A NE2 1116 N N . GLU A 136 ? 0.1752 0.0986 0.1032 0.0036 -0.0011 -0.0242 136 GLU A N 1117 C CA . GLU A 136 ? 0.1700 0.0976 0.1035 0.0191 0.0041 -0.0318 136 GLU A CA 1118 C C . GLU A 136 ? 0.1657 0.0976 0.1157 0.0134 0.0196 -0.0450 136 GLU A C 1119 O O . GLU A 136 ? 0.1773 0.1136 0.1260 0.0197 0.0208 -0.0402 136 GLU A O 1120 C CB . GLU A 136 ? 0.1694 0.1070 0.1198 0.0171 0.0081 -0.0280 136 GLU A CB 1121 C CG . GLU A 136 ? 0.1693 0.1361 0.1323 0.0200 0.0160 -0.0286 136 GLU A CG 1122 C CD . GLU A 136 ? 0.1691 0.1296 0.1505 0.0280 0.0289 -0.0418 136 GLU A CD 1123 O OE1 . GLU A 136 ? 0.1767 0.1628 0.1631 0.0256 0.0334 -0.0520 136 GLU A OE1 1124 O OE2 . GLU A 136 ? 0.1744 0.1401 0.1610 0.0092 0.0336 -0.0516 136 GLU A OE2 1125 N N . GLN A 137 ? 0.1707 0.1111 0.1184 0.0036 0.0275 -0.0521 137 GLN A N 1126 C CA . GLN A 137 ? 0.1691 0.1265 0.1211 -0.0008 0.0209 -0.0577 137 GLN A CA 1127 C C . GLN A 137 ? 0.1726 0.1359 0.1348 -0.0052 0.0117 -0.0650 137 GLN A C 1128 O O . GLN A 137 ? 0.1791 0.1259 0.1375 0.0130 0.0287 -0.0489 137 GLN A O 1129 C CB . GLN A 137 ? 0.1687 0.1218 0.0998 -0.0029 0.0267 -0.0579 137 GLN A CB 1130 C CG . GLN A 137 ? 0.1732 0.1605 0.1009 -0.0036 0.0278 -0.0514 137 GLN A CG 1131 C CD . GLN A 137 ? 0.1767 0.1777 0.0890 0.0053 0.0281 -0.0450 137 GLN A CD 1132 O OE1 . GLN A 137 ? 0.2029 0.2135 0.1137 0.0056 0.0360 -0.0463 137 GLN A OE1 1133 N NE2 . GLN A 137 ? 0.1667 0.1591 0.0711 -0.0025 0.0341 -0.0385 137 GLN A NE2 1134 N N . ASP A 138 ? 0.1768 0.1410 0.1661 -0.0085 0.0015 -0.0653 138 ASP A N 1135 C CA . ASP A 138 ? 0.2019 0.1662 0.1926 -0.0129 -0.0022 -0.0643 138 ASP A CA 1136 C C . ASP A 138 ? 0.2307 0.1987 0.1890 -0.0243 0.0012 -0.0919 138 ASP A C 1137 O O . ASP A 138 ? 0.2577 0.2423 0.1954 -0.0422 -0.0002 -0.0914 138 ASP A O 1138 C CB . ASP A 138 ? 0.2033 0.1512 0.2103 -0.0225 -0.0025 -0.0694 138 ASP A CB 1139 C CG . ASP A 138 ? 0.2123 0.1436 0.2187 -0.0027 -0.0050 -0.0689 138 ASP A CG 1140 O OD1 . ASP A 138 ? 0.2077 0.1404 0.2191 0.0143 0.0086 -0.0604 138 ASP A OD1 1141 O OD2 . ASP A 138 ? 0.2329 0.1697 0.2381 -0.0155 0.0001 -0.0639 138 ASP A OD2 1142 N N . SER A 139 ? 0.2353 0.1987 0.1767 -0.0173 0.0074 -0.1074 139 SER A N 1143 C CA . SER A 139 ? 0.2497 0.2243 0.1878 -0.0046 0.0239 -0.1032 139 SER A CA 1144 C C . SER A 139 ? 0.2464 0.2112 0.1844 0.0063 0.0430 -0.0934 139 SER A C 1145 O O . SER A 139 ? 0.2501 0.1871 0.1879 0.0229 0.0469 -0.0900 139 SER A O 1146 C CB . SER A 139 ? 0.2653 0.2573 0.1934 -0.0059 0.0316 -0.1121 139 SER A CB 1147 O OG . SER A 139 ? 0.2747 0.2818 0.2017 -0.0103 0.0432 -0.1179 139 SER A OG 1148 N N . TYR A 140 ? 0.2445 0.2286 0.1811 0.0001 0.0459 -0.0898 140 TYR A N 1149 C CA . TYR A 140 ? 0.2519 0.2588 0.1658 0.0095 0.0593 -0.0933 140 TYR A CA 1150 C C . TYR A 140 ? 0.2549 0.2822 0.1788 0.0159 0.0652 -0.1040 140 TYR A C 1151 O O . TYR A 140 ? 0.2638 0.3062 0.1847 0.0148 0.0669 -0.1090 140 TYR A O 1152 C CB . TYR A 140 ? 0.2607 0.2786 0.1517 0.0152 0.0671 -0.0856 140 TYR A CB 1153 C CG . TYR A 140 ? 0.2568 0.2846 0.1465 0.0196 0.0661 -0.0809 140 TYR A CG 1154 C CD1 . TYR A 140 ? 0.2489 0.2959 0.1472 0.0192 0.0744 -0.0717 140 TYR A CD1 1155 C CD2 . TYR A 140 ? 0.2717 0.3136 0.1517 0.0132 0.0686 -0.0751 140 TYR A CD2 1156 C CE1 . TYR A 140 ? 0.2544 0.3183 0.1515 -0.0028 0.0801 -0.0672 140 TYR A CE1 1157 C CE2 . TYR A 140 ? 0.2733 0.3280 0.1492 -0.0007 0.0746 -0.0626 140 TYR A CE2 1158 C CZ . TYR A 140 ? 0.2671 0.3358 0.1599 -0.0079 0.0828 -0.0453 140 TYR A CZ 1159 O OH . TYR A 140 ? 0.2731 0.3448 0.1827 -0.0292 0.0777 -0.0287 140 TYR A OH 1160 N N . GLY A 141 ? 0.2520 0.2904 0.1909 0.0070 0.0611 -0.1077 141 GLY A N 1161 C CA . GLY A 141 ? 0.2334 0.3173 0.1990 0.0128 0.0717 -0.1089 141 GLY A CA 1162 C C . GLY A 141 ? 0.2338 0.3419 0.2066 0.0077 0.0589 -0.1052 141 GLY A C 1163 O O . GLY A 141 ? 0.2601 0.3717 0.2178 -0.0161 0.0443 -0.0781 141 GLY A O 1164 N N . GLY A 142 ? 0.2278 0.3312 0.2068 0.0316 0.0508 -0.1202 142 GLY A N 1165 C CA . GLY A 142 ? 0.2274 0.3194 0.2079 0.0300 0.0375 -0.1177 142 GLY A CA 1166 C C . GLY A 142 ? 0.2184 0.2893 0.2042 0.0256 0.0234 -0.1325 142 GLY A C 1167 O O . GLY A 142 ? 0.2061 0.2683 0.1904 0.0233 0.0221 -0.1234 142 GLY A O 1168 N N . LYS A 143 ? 0.2301 0.2808 0.2257 0.0227 0.0183 -0.1348 143 LYS A N 1169 C CA . LYS A 143 ? 0.2426 0.2779 0.2480 0.0315 0.0111 -0.1274 143 LYS A CA 1170 C C . LYS A 143 ? 0.2266 0.2225 0.2354 0.0281 0.0032 -0.1100 143 LYS A C 1171 O O . LYS A 143 ? 0.2210 0.2127 0.2368 0.0264 0.0032 -0.1070 143 LYS A O 1172 C CB . LYS A 143 ? 0.2615 0.3228 0.2786 0.0573 0.0194 -0.1423 143 LYS A CB 1173 C CG . LYS A 143 ? 0.2945 0.3586 0.3149 0.0750 0.0249 -0.1310 143 LYS A CG 1174 C CD . LYS A 143 ? 0.3274 0.3907 0.3460 0.0809 0.0340 -0.1151 143 LYS A CD 1175 C CE . LYS A 143 ? 0.3610 0.4322 0.3703 0.0801 0.0374 -0.0917 143 LYS A CE 1176 N NZ . LYS A 143 ? 0.3849 0.4670 0.3834 0.0654 0.0364 -0.0808 143 LYS A NZ 1177 N N . PHE A 144 ? 0.2127 0.1663 0.2191 0.0170 0.0055 -0.1015 144 PHE A N 1178 C CA . PHE A 144 ? 0.2124 0.1454 0.2051 0.0116 0.0111 -0.0850 144 PHE A CA 1179 C C . PHE A 144 ? 0.2408 0.1300 0.2141 0.0033 0.0160 -0.0720 144 PHE A C 1180 O O . PHE A 144 ? 0.2682 0.1579 0.2308 0.0186 0.0231 -0.0330 144 PHE A O 1181 C CB . PHE A 144 ? 0.1880 0.1383 0.1930 0.0144 0.0129 -0.0717 144 PHE A CB 1182 C CG . PHE A 144 ? 0.1880 0.1657 0.1883 0.0194 0.0201 -0.0641 144 PHE A CG 1183 C CD1 . PHE A 144 ? 0.1890 0.1689 0.1840 0.0237 0.0264 -0.0635 144 PHE A CD1 1184 C CD2 . PHE A 144 ? 0.1917 0.1824 0.1982 0.0387 0.0214 -0.0430 144 PHE A CD2 1185 C CE1 . PHE A 144 ? 0.2003 0.1857 0.1877 0.0223 0.0300 -0.0759 144 PHE A CE1 1186 C CE2 . PHE A 144 ? 0.1970 0.1906 0.2012 0.0396 0.0180 -0.0404 144 PHE A CE2 1187 C CZ . PHE A 144 ? 0.2067 0.1969 0.1960 0.0448 0.0268 -0.0664 144 PHE A CZ 1188 N N . ASP A 145 ? 0.2372 0.1291 0.2145 0.0048 0.0157 -0.0467 145 ASP A N 1189 C CA . ASP A 145 ? 0.2378 0.1215 0.2251 0.0179 -0.0017 -0.0411 145 ASP A CA 1190 C C . ASP A 145 ? 0.2250 0.1151 0.2222 0.0172 -0.0080 -0.0306 145 ASP A C 1191 O O . ASP A 145 ? 0.2093 0.1204 0.2105 0.0334 -0.0014 -0.0219 145 ASP A O 1192 C CB . ASP A 145 ? 0.2458 0.1431 0.2412 -0.0035 -0.0250 -0.0362 145 ASP A CB 1193 C CG . ASP A 145 ? 0.2635 0.1757 0.2572 0.0020 -0.0368 -0.0237 145 ASP A CG 1194 O OD1 . ASP A 145 ? 0.2834 0.2004 0.2674 -0.0109 -0.0252 -0.0314 145 ASP A OD1 1195 O OD2 . ASP A 145 ? 0.2854 0.2109 0.2709 0.0051 -0.0374 -0.0032 145 ASP A OD2 1196 N N . ARG A 146 ? 0.2381 0.1291 0.2342 0.0279 -0.0022 -0.0228 146 ARG A N 1197 C CA . ARG A 146 ? 0.2464 0.1455 0.2426 0.0550 0.0002 0.0032 146 ARG A CA 1198 C C . ARG A 146 ? 0.2339 0.1200 0.2184 0.0552 0.0083 0.0409 146 ARG A C 1199 O O . ARG A 146 ? 0.2283 0.1019 0.2050 0.0359 0.0262 0.0388 146 ARG A O 1200 C CB . ARG A 146 ? 0.2867 0.2180 0.2842 0.0880 -0.0144 0.0023 146 ARG A CB 1201 C CG . ARG A 146 ? 0.3279 0.2825 0.3284 0.1038 -0.0153 0.0167 146 ARG A CG 1202 C CD . ARG A 146 ? 0.3713 0.3455 0.3720 0.1008 -0.0061 0.0186 146 ARG A CD 1203 N NE . ARG A 146 ? 0.4146 0.4086 0.4069 0.0889 0.0019 0.0065 146 ARG A NE 1204 C CZ . ARG A 146 ? 0.4345 0.4359 0.4273 0.0818 0.0096 -0.0148 146 ARG A CZ 1205 N NH1 . ARG A 146 ? 0.4432 0.4281 0.4369 0.0970 0.0163 -0.0129 146 ARG A NH1 1206 N NH2 . ARG A 146 ? 0.4426 0.4577 0.4365 0.0668 0.0152 -0.0286 146 ARG A NH2 1207 N N . SER A 147 ? 0.2168 0.1235 0.2113 0.0600 -0.0003 0.0400 147 SER A N 1208 C CA . SER A 147 ? 0.2215 0.1371 0.2122 0.0322 0.0041 0.0361 147 SER A CA 1209 C C . SER A 147 ? 0.2039 0.1198 0.1883 0.0125 0.0081 0.0182 147 SER A C 1210 O O . SER A 147 ? 0.2174 0.1315 0.1877 -0.0203 0.0057 0.0104 147 SER A O 1211 C CB . SER A 147 ? 0.2467 0.1644 0.2517 0.0038 0.0150 0.0282 147 SER A CB 1212 O OG . SER A 147 ? 0.2759 0.1926 0.2897 -0.0221 0.0229 0.0219 147 SER A OG 1213 N N . GLN A 148 ? 0.1793 0.0878 0.1605 0.0096 0.0201 0.0094 148 GLN A N 1214 C CA . GLN A 148 ? 0.1596 0.0972 0.1406 0.0166 0.0169 -0.0099 148 GLN A CA 1215 C C . GLN A 148 ? 0.1505 0.0941 0.1178 0.0231 0.0158 0.0006 148 GLN A C 1216 O O . GLN A 148 ? 0.1496 0.0807 0.1089 0.0293 0.0249 0.0123 148 GLN A O 1217 C CB . GLN A 148 ? 0.1641 0.1284 0.1604 0.0094 0.0180 -0.0122 148 GLN A CB 1218 C CG . GLN A 148 ? 0.1776 0.1400 0.1773 0.0037 0.0168 -0.0126 148 GLN A CG 1219 C CD . GLN A 148 ? 0.1909 0.1768 0.1912 -0.0075 0.0134 -0.0278 148 GLN A CD 1220 O OE1 . GLN A 148 ? 0.1907 0.1553 0.1934 -0.0014 0.0032 -0.0067 148 GLN A OE1 1221 N NE2 . GLN A 148 ? 0.2194 0.2439 0.2058 -0.0221 0.0100 -0.0413 148 GLN A NE2 1222 N N . SER A 149 ? 0.1474 0.0892 0.1049 0.0064 0.0104 -0.0118 149 SER A N 1223 C CA . SER A 149 ? 0.1513 0.1020 0.0986 0.0135 0.0222 -0.0057 149 SER A CA 1224 C C . SER A 149 ? 0.1468 0.1070 0.0794 -0.0018 0.0257 -0.0141 149 SER A C 1225 O O . SER A 149 ? 0.1589 0.0945 0.0855 0.0002 0.0384 -0.0025 149 SER A O 1226 C CB . SER A 149 ? 0.1526 0.1206 0.1026 0.0269 0.0231 0.0008 149 SER A CB 1227 O OG . SER A 149 ? 0.1689 0.1316 0.1215 0.0178 0.0253 -0.0110 149 SER A OG 1228 N N . PHE A 150 ? 0.1452 0.1186 0.0725 0.0001 0.0205 -0.0119 150 PHE A N 1229 C CA . PHE A 150 ? 0.1137 0.1188 0.0577 0.0024 0.0219 -0.0060 150 PHE A CA 1230 C C . PHE A 150 ? 0.1175 0.1226 0.0622 0.0056 0.0185 0.0019 150 PHE A C 1231 O O . PHE A 150 ? 0.1400 0.1762 0.0767 -0.0054 0.0203 -0.0102 150 PHE A O 1232 C CB . PHE A 150 ? 0.1056 0.1095 0.0556 0.0074 0.0132 0.0033 150 PHE A CB 1233 C CG . PHE A 150 ? 0.0926 0.0868 0.0571 -0.0052 0.0120 0.0132 150 PHE A CG 1234 C CD1 . PHE A 150 ? 0.1009 0.1116 0.0762 -0.0219 0.0147 -0.0089 150 PHE A CD1 1235 C CD2 . PHE A 150 ? 0.0927 0.1132 0.0668 -0.0041 0.0055 0.0160 150 PHE A CD2 1236 C CE1 . PHE A 150 ? 0.0974 0.1218 0.0788 0.0072 0.0079 -0.0004 150 PHE A CE1 1237 C CE2 . PHE A 150 ? 0.0972 0.1524 0.0807 -0.0108 0.0106 0.0022 150 PHE A CE2 1238 C CZ . PHE A 150 ? 0.0887 0.1307 0.0735 0.0211 -0.0088 0.0033 150 PHE A CZ 1239 N N . VAL A 151 ? 0.1202 0.0997 0.0639 0.0131 0.0158 0.0107 151 VAL A N 1240 C CA . VAL A 151 ? 0.1357 0.0958 0.0653 0.0214 0.0202 0.0220 151 VAL A CA 1241 C C . VAL A 151 ? 0.1176 0.0731 0.0652 0.0290 0.0247 0.0182 151 VAL A C 1242 O O . VAL A 151 ? 0.1165 0.0933 0.0868 0.0137 0.0385 -0.0044 151 VAL A O 1243 C CB . VAL A 151 ? 0.1642 0.1018 0.0714 0.0299 0.0217 0.0140 151 VAL A CB 1244 C CG1 . VAL A 151 ? 0.1708 0.1002 0.0782 0.0332 0.0263 0.0200 151 VAL A CG1 1245 C CG2 . VAL A 151 ? 0.1730 0.1064 0.1049 0.0499 0.0340 0.0188 151 VAL A CG2 1246 N N . GLY A 152 ? 0.1196 0.0632 0.0667 0.0376 0.0263 0.0067 152 GLY A N 1247 C CA . GLY A 152 ? 0.1271 0.0852 0.0608 0.0339 0.0149 0.0012 152 GLY A CA 1248 C C . GLY A 152 ? 0.1148 0.0849 0.0590 0.0204 0.0305 0.0028 152 GLY A C 1249 O O . GLY A 152 ? 0.1179 0.0865 0.0708 0.0355 0.0433 0.0124 152 GLY A O 1250 N N . GLU A 153 ? 0.0995 0.0899 0.0488 0.0180 0.0301 0.0152 153 GLU A N 1251 C CA . GLU A 153 ? 0.0953 0.0999 0.0525 0.0234 0.0136 0.0287 153 GLU A CA 1252 C C . GLU A 153 ? 0.0818 0.0856 0.0503 0.0164 0.0177 0.0311 153 GLU A C 1253 O O . GLU A 153 ? 0.0871 0.1012 0.0509 0.0096 0.0275 0.0174 153 GLU A O 1254 C CB . GLU A 153 ? 0.1100 0.1275 0.0668 0.0130 0.0038 0.0222 153 GLU A CB 1255 C CG . GLU A 153 ? 0.1215 0.1205 0.0714 0.0094 0.0048 0.0381 153 GLU A CG 1256 C CD . GLU A 153 ? 0.1339 0.1251 0.0821 0.0135 -0.0003 0.0466 153 GLU A CD 1257 O OE1 . GLU A 153 ? 0.1463 0.1346 0.0823 -0.0084 -0.0037 0.0274 153 GLU A OE1 1258 O OE2 . GLU A 153 ? 0.1429 0.1544 0.1079 0.0203 -0.0043 0.0548 153 GLU A OE2 1259 N N . ILE A 154 ? 0.0764 0.0764 0.0435 0.0128 0.0176 0.0255 154 ILE A N 1260 C CA . ILE A 154 ? 0.0776 0.0858 0.0668 0.0110 0.0094 0.0240 154 ILE A CA 1261 C C . ILE A 154 ? 0.0707 0.1079 0.0618 0.0298 0.0161 0.0406 154 ILE A C 1262 O O . ILE A 154 ? 0.0785 0.1455 0.0752 0.0365 0.0233 0.0497 154 ILE A O 1263 C CB . ILE A 154 ? 0.1202 0.1358 0.0975 0.0114 -0.0104 -0.0002 154 ILE A CB 1264 C CG1 . ILE A 154 ? 0.1582 0.1406 0.1140 0.0079 -0.0139 -0.0144 154 ILE A CG1 1265 C CG2 . ILE A 154 ? 0.1321 0.1553 0.1076 0.0041 -0.0155 -0.0096 154 ILE A CG2 1266 C CD1 . ILE A 154 ? 0.1804 0.1379 0.1421 -0.0057 -0.0095 -0.0104 154 ILE A CD1 1267 N N . GLY A 155 ? 0.0843 0.1143 0.0709 0.0099 0.0211 0.0452 155 GLY A N 1268 C CA . GLY A 155 ? 0.0957 0.1418 0.0954 0.0039 0.0117 0.0649 155 GLY A CA 1269 C C . GLY A 155 ? 0.0717 0.1281 0.0828 0.0149 0.0166 0.0558 155 GLY A C 1270 O O . GLY A 155 ? 0.0614 0.1227 0.0773 0.0088 0.0229 0.0424 155 GLY A O 1271 N N . ASP A 156 ? 0.0745 0.1257 0.0783 0.0051 0.0046 0.0459 156 ASP A N 1272 C CA . ASP A 156 ? 0.0769 0.1137 0.0757 -0.0093 0.0012 0.0399 156 ASP A CA 1273 C C . ASP A 156 ? 0.0760 0.0994 0.0611 -0.0244 -0.0029 0.0330 156 ASP A C 1274 O O . ASP A 156 ? 0.0890 0.1011 0.0685 -0.0252 0.0009 0.0235 156 ASP A O 1275 C CB . ASP A 156 ? 0.1079 0.1310 0.0916 -0.0033 -0.0046 0.0169 156 ASP A CB 1276 C CG . ASP A 156 ? 0.1501 0.2239 0.1284 -0.0356 0.0214 0.0004 156 ASP A CG 1277 O OD1 . ASP A 156 ? 0.1869 0.2422 0.1561 -0.0618 0.0345 -0.0091 156 ASP A OD1 1278 O OD2 . ASP A 156 ? 0.1596 0.2728 0.1356 -0.0371 0.0170 -0.0165 156 ASP A OD2 1279 N N . LEU A 157 ? 0.0723 0.1033 0.0469 -0.0159 0.0050 0.0295 157 LEU A N 1280 C CA . LEU A 157 ? 0.0609 0.0885 0.0459 -0.0132 0.0073 0.0278 157 LEU A CA 1281 C C . LEU A 157 ? 0.0732 0.1025 0.0503 -0.0234 0.0102 0.0251 157 LEU A C 1282 O O . LEU A 157 ? 0.0814 0.1107 0.0635 -0.0367 0.0068 0.0281 157 LEU A O 1283 C CB . LEU A 157 ? 0.0749 0.1070 0.0549 0.0018 0.0209 0.0272 157 LEU A CB 1284 C CG . LEU A 157 ? 0.1089 0.1189 0.0684 -0.0021 0.0315 0.0328 157 LEU A CG 1285 C CD1 . LEU A 157 ? 0.1291 0.1229 0.0916 -0.0124 0.0294 0.0309 157 LEU A CD1 1286 C CD2 . LEU A 157 ? 0.1235 0.1544 0.0807 0.0005 0.0545 0.0119 157 LEU A CD2 1287 N N . TYR A 158 ? 0.0657 0.0899 0.0440 -0.0091 0.0120 0.0258 158 TYR A N 1288 C CA . TYR A 158 ? 0.0747 0.0765 0.0445 -0.0101 0.0116 0.0270 158 TYR A CA 1289 C C . TYR A 158 ? 0.0741 0.0944 0.0459 -0.0165 0.0061 0.0282 158 TYR A C 1290 O O . TYR A 158 ? 0.0781 0.1195 0.0461 -0.0214 0.0028 0.0268 158 TYR A O 1291 C CB . TYR A 158 ? 0.0875 0.0880 0.0731 0.0205 0.0129 0.0325 158 TYR A CB 1292 C CG . TYR A 158 ? 0.1064 0.0880 0.0921 0.0013 0.0103 0.0269 158 TYR A CG 1293 C CD1 . TYR A 158 ? 0.1099 0.0971 0.1096 -0.0120 0.0127 0.0447 158 TYR A CD1 1294 C CD2 . TYR A 158 ? 0.1196 0.0768 0.0939 0.0005 -0.0094 0.0184 158 TYR A CD2 1295 C CE1 . TYR A 158 ? 0.1175 0.1052 0.1340 -0.0059 -0.0026 0.0186 158 TYR A CE1 1296 C CE2 . TYR A 158 ? 0.1308 0.0808 0.1229 0.0007 -0.0185 0.0110 158 TYR A CE2 1297 C CZ . TYR A 158 ? 0.1253 0.0910 0.1545 -0.0145 -0.0214 0.0111 158 TYR A CZ 1298 O OH . TYR A 158 ? 0.1300 0.1230 0.1972 -0.0205 -0.0232 0.0146 158 TYR A OH 1299 N N . MET A 159 ? 0.0748 0.0944 0.0457 -0.0138 0.0095 0.0275 159 MET A N 1300 C CA . MET A 159 ? 0.0825 0.0998 0.0564 -0.0200 0.0131 0.0310 159 MET A CA 1301 C C . MET A 159 ? 0.0711 0.0931 0.0552 -0.0286 0.0027 0.0289 159 MET A C 1302 O O . MET A 159 ? 0.0775 0.1332 0.0566 -0.0313 0.0063 0.0277 159 MET A O 1303 C CB . MET A 159 ? 0.0898 0.1057 0.0661 -0.0184 0.0239 0.0321 159 MET A CB 1304 C CG . MET A 159 ? 0.1134 0.1176 0.0949 -0.0172 0.0064 0.0330 159 MET A CG 1305 S SD . MET A 159 ? 0.1392 0.1375 0.1385 -0.0148 0.0114 0.0238 159 MET A SD 1306 C CE . MET A 159 ? 0.1496 0.1445 0.1566 -0.0392 0.0265 0.0011 159 MET A CE 1307 N N . TRP A 160 ? 0.0733 0.0959 0.0582 -0.0237 0.0017 0.0347 160 TRP A N 1308 C CA . TRP A 160 ? 0.0809 0.1055 0.0607 -0.0171 0.0032 0.0398 160 TRP A CA 1309 C C . TRP A 160 ? 0.0914 0.0946 0.0632 -0.0233 0.0093 0.0354 160 TRP A C 1310 O O . TRP A 160 ? 0.0924 0.1317 0.0624 -0.0321 0.0013 0.0373 160 TRP A O 1311 C CB . TRP A 160 ? 0.0920 0.1006 0.0686 -0.0041 0.0015 0.0468 160 TRP A CB 1312 C CG . TRP A 160 ? 0.0966 0.1072 0.0911 -0.0175 0.0136 0.0397 160 TRP A CG 1313 C CD1 . TRP A 160 ? 0.1058 0.0976 0.0943 -0.0308 0.0198 0.0408 160 TRP A CD1 1314 C CD2 . TRP A 160 ? 0.0838 0.1126 0.0851 -0.0311 0.0154 0.0354 160 TRP A CD2 1315 N NE1 . TRP A 160 ? 0.1036 0.0906 0.1056 -0.0417 0.0239 0.0269 160 TRP A NE1 1316 C CE2 . TRP A 160 ? 0.0826 0.1078 0.0984 -0.0244 0.0178 0.0414 160 TRP A CE2 1317 C CE3 . TRP A 160 ? 0.0747 0.1313 0.0714 -0.0143 -0.0008 0.0405 160 TRP A CE3 1318 C CZ2 . TRP A 160 ? 0.0824 0.1204 0.1037 -0.0126 0.0193 0.0226 160 TRP A CZ2 1319 C CZ3 . TRP A 160 ? 0.0761 0.1098 0.0870 -0.0227 0.0121 0.0406 160 TRP A CZ3 1320 C CH2 . TRP A 160 ? 0.0838 0.1259 0.0963 -0.0234 0.0153 0.0175 160 TRP A CH2 1321 N N . ASP A 161 ? 0.1099 0.1344 0.0676 -0.0328 -0.0010 0.0423 161 ASP A N 1322 C CA . ASP A 161 ? 0.1115 0.1544 0.0614 -0.0263 -0.0036 0.0397 161 ASP A CA 1323 C C . ASP A 161 ? 0.1117 0.1783 0.0675 -0.0234 -0.0115 0.0443 161 ASP A C 1324 O O . ASP A 161 ? 0.1222 0.2418 0.0722 -0.0223 -0.0078 0.0359 161 ASP A O 1325 C CB . ASP A 161 ? 0.1455 0.2055 0.0809 -0.0225 0.0098 0.0523 161 ASP A CB 1326 C CG . ASP A 161 ? 0.1804 0.2580 0.0963 -0.0302 0.0134 0.0592 161 ASP A CG 1327 O OD1 . ASP A 161 ? 0.1692 0.2368 0.1050 -0.0334 0.0139 0.0678 161 ASP A OD1 1328 O OD2 . ASP A 161 ? 0.2326 0.3381 0.1085 -0.0301 0.0013 0.0633 161 ASP A OD2 1329 N N . SER A 162 ? 0.0974 0.1446 0.0830 -0.0326 -0.0077 0.0398 162 SER A N 1330 C CA . SER A 162 ? 0.1221 0.1478 0.0921 -0.0369 -0.0054 0.0503 162 SER A CA 1331 C C . SER A 162 ? 0.1046 0.1213 0.0858 -0.0304 -0.0113 0.0542 162 SER A C 1332 O O . SER A 162 ? 0.1027 0.1301 0.0870 0.0054 -0.0047 0.0595 162 SER A O 1333 C CB . SER A 162 ? 0.1537 0.1410 0.1137 -0.0192 -0.0046 0.0583 162 SER A CB 1334 O OG . SER A 162 ? 0.1980 0.1272 0.1457 -0.0111 -0.0049 0.0470 162 SER A OG 1335 N N . VAL A 163 ? 0.1052 0.1169 0.0950 -0.0232 -0.0206 0.0401 163 VAL A N 1336 C CA . VAL A 163 ? 0.1174 0.1196 0.1180 -0.0229 -0.0102 0.0296 163 VAL A CA 1337 C C . VAL A 163 ? 0.1298 0.0962 0.1171 -0.0195 -0.0078 0.0258 163 VAL A C 1338 O O . VAL A 163 ? 0.1694 0.0913 0.1356 -0.0100 -0.0073 0.0145 163 VAL A O 1339 C CB . VAL A 163 ? 0.1215 0.1307 0.1360 -0.0349 0.0082 -0.0010 163 VAL A CB 1340 C CG1 . VAL A 163 ? 0.1297 0.1446 0.1380 -0.0286 0.0275 0.0122 163 VAL A CG1 1341 C CG2 . VAL A 163 ? 0.1265 0.1455 0.1543 -0.0610 -0.0017 -0.0232 163 VAL A CG2 1342 N N . LEU A 164 ? 0.1237 0.0805 0.1214 -0.0162 -0.0109 -0.0027 164 LEU A N 1343 C CA . LEU A 164 ? 0.1183 0.1089 0.1445 -0.0142 -0.0054 -0.0050 164 LEU A CA 1344 C C . LEU A 164 ? 0.1205 0.0912 0.1460 -0.0093 -0.0001 0.0130 164 LEU A C 1345 O O . LEU A 164 ? 0.1381 0.1037 0.1493 -0.0023 -0.0144 0.0093 164 LEU A O 1346 C CB . LEU A 164 ? 0.1097 0.1451 0.1566 -0.0219 -0.0039 0.0046 164 LEU A CB 1347 C CG . LEU A 164 ? 0.1244 0.1913 0.1804 -0.0308 0.0024 0.0088 164 LEU A CG 1348 C CD1 . LEU A 164 ? 0.1014 0.1811 0.1902 -0.0384 -0.0159 0.0050 164 LEU A CD1 1349 C CD2 . LEU A 164 ? 0.1499 0.2195 0.1966 -0.0471 0.0184 0.0082 164 LEU A CD2 1350 N N . PRO A 165 ? 0.1345 0.1321 0.1633 0.0087 0.0019 0.0173 165 PRO A N 1351 C CA . PRO A 165 ? 0.1294 0.1235 0.1682 0.0070 -0.0056 0.0259 165 PRO A CA 1352 C C . PRO A 165 ? 0.1234 0.1121 0.1628 0.0050 0.0038 0.0227 165 PRO A C 1353 O O . PRO A 165 ? 0.1208 0.0954 0.1592 -0.0028 0.0045 0.0160 165 PRO A O 1354 C CB . PRO A 165 ? 0.1422 0.1382 0.1726 0.0171 -0.0103 0.0397 165 PRO A CB 1355 C CG . PRO A 165 ? 0.1516 0.1427 0.1768 0.0146 0.0121 0.0430 165 PRO A CG 1356 C CD . PRO A 165 ? 0.1422 0.1394 0.1717 0.0185 0.0132 0.0320 165 PRO A CD 1357 N N . PRO A 166 ? 0.1113 0.1009 0.1584 0.0016 0.0127 0.0380 166 PRO A N 1358 C CA . PRO A 166 ? 0.1128 0.1084 0.1483 -0.0023 0.0138 0.0340 166 PRO A CA 1359 C C . PRO A 166 ? 0.1223 0.1116 0.1435 -0.0012 0.0235 0.0228 166 PRO A C 1360 O O . PRO A 166 ? 0.1308 0.1181 0.1389 0.0032 0.0272 0.0048 166 PRO A O 1361 C CB . PRO A 166 ? 0.1222 0.1206 0.1644 0.0056 0.0244 0.0345 166 PRO A CB 1362 C CG . PRO A 166 ? 0.1239 0.1286 0.1803 0.0224 0.0273 0.0449 166 PRO A CG 1363 C CD . PRO A 166 ? 0.1155 0.1154 0.1705 -0.0012 0.0255 0.0379 166 PRO A CD 1364 N N . GLU A 167 ? 0.1291 0.0980 0.1415 -0.0155 0.0247 0.0272 167 GLU A N 1365 C CA . GLU A 167 ? 0.1580 0.0935 0.1605 -0.0138 0.0189 0.0189 167 GLU A CA 1366 C C . GLU A 167 ? 0.1484 0.0812 0.1471 -0.0221 0.0126 0.0148 167 GLU A C 1367 O O . GLU A 167 ? 0.1614 0.0957 0.1526 -0.0172 0.0115 0.0023 167 GLU A O 1368 C CB . GLU A 167 ? 0.2102 0.1448 0.2064 0.0015 0.0062 0.0271 167 GLU A CB 1369 C CG . GLU A 167 ? 0.2611 0.1950 0.2519 0.0225 -0.0058 0.0430 167 GLU A CG 1370 C CD . GLU A 167 ? 0.2988 0.2176 0.2887 0.0367 -0.0204 0.0681 167 GLU A CD 1371 O OE1 . GLU A 167 ? 0.3009 0.1593 0.2883 0.0768 -0.0269 0.0719 167 GLU A OE1 1372 O OE2 . GLU A 167 ? 0.3288 0.2591 0.3179 0.0178 -0.0187 0.0712 167 GLU A OE2 1373 N N . ASN A 168 ? 0.1338 0.0848 0.1282 -0.0133 0.0028 0.0161 168 ASN A N 1374 C CA . ASN A 168 ? 0.1230 0.1011 0.1193 -0.0196 0.0093 0.0158 168 ASN A CA 1375 C C . ASN A 168 ? 0.1065 0.0863 0.1075 -0.0192 0.0347 0.0165 168 ASN A C 1376 O O . ASN A 168 ? 0.1113 0.1059 0.1025 -0.0082 0.0468 0.0061 168 ASN A O 1377 C CB . ASN A 168 ? 0.1480 0.1440 0.1305 -0.0127 0.0033 0.0301 168 ASN A CB 1378 C CG . ASN A 168 ? 0.1824 0.1809 0.1574 -0.0203 0.0009 0.0362 168 ASN A CG 1379 O OD1 . ASN A 168 ? 0.2118 0.2114 0.1635 -0.0380 -0.0120 0.0334 168 ASN A OD1 1380 N ND2 . ASN A 168 ? 0.1979 0.1667 0.1684 -0.0039 0.0149 0.0570 168 ASN A ND2 1381 N N . ILE A 169 ? 0.1121 0.0682 0.1083 -0.0177 0.0350 0.0290 169 ILE A N 1382 C CA . ILE A 169 ? 0.1231 0.0753 0.1086 -0.0212 0.0308 0.0283 169 ILE A CA 1383 C C . ILE A 169 ? 0.1328 0.0809 0.0942 0.0058 0.0176 0.0400 169 ILE A C 1384 O O . ILE A 169 ? 0.1238 0.0965 0.0804 -0.0034 0.0139 0.0217 169 ILE A O 1385 C CB . ILE A 169 ? 0.1364 0.0931 0.1326 -0.0103 0.0164 0.0431 169 ILE A CB 1386 C CG1 . ILE A 169 ? 0.1559 0.1674 0.1504 -0.0106 0.0031 0.0529 169 ILE A CG1 1387 C CG2 . ILE A 169 ? 0.1405 0.0891 0.1437 -0.0311 0.0089 0.0533 169 ILE A CG2 1388 C CD1 . ILE A 169 ? 0.1759 0.2099 0.1729 -0.0025 0.0075 0.0397 169 ILE A CD1 1389 N N . LEU A 170 ? 0.1336 0.0969 0.1086 0.0221 0.0274 0.0265 170 LEU A N 1390 C CA . LEU A 170 ? 0.1598 0.1199 0.1368 0.0123 0.0291 -0.0139 170 LEU A CA 1391 C C . LEU A 170 ? 0.1545 0.0946 0.1347 -0.0238 0.0142 0.0040 170 LEU A C 1392 O O . LEU A 170 ? 0.1574 0.0930 0.1367 -0.0367 -0.0028 -0.0076 170 LEU A O 1393 C CB . LEU A 170 ? 0.1921 0.1665 0.1659 0.0219 0.0461 -0.0091 170 LEU A CB 1394 C CG . LEU A 170 ? 0.2499 0.2548 0.2131 0.0430 0.0609 0.0074 170 LEU A CG 1395 C CD1 . LEU A 170 ? 0.2634 0.3022 0.2347 0.0420 0.0760 0.0085 170 LEU A CD1 1396 C CD2 . LEU A 170 ? 0.2752 0.2787 0.2345 0.0506 0.0677 0.0242 170 LEU A CD2 1397 N N . SER A 171 ? 0.1475 0.0718 0.1425 -0.0416 0.0123 0.0299 171 SER A N 1398 C CA . SER A 171 ? 0.1589 0.0974 0.1571 -0.0367 -0.0039 0.0343 171 SER A CA 1399 C C . SER A 171 ? 0.1406 0.1022 0.1283 -0.0199 -0.0042 0.0248 171 SER A C 1400 O O . SER A 171 ? 0.1313 0.1146 0.1367 -0.0249 0.0003 0.0410 171 SER A O 1401 C CB . SER A 171 ? 0.1819 0.1073 0.2071 -0.0515 -0.0041 0.0582 171 SER A CB 1402 O OG . SER A 171 ? 0.2124 0.1338 0.2381 -0.0224 0.0027 0.0600 171 SER A OG 1403 N N . ALA A 172 ? 0.1214 0.1041 0.1002 -0.0272 -0.0015 0.0221 172 ALA A N 1404 C CA . ALA A 172 ? 0.1179 0.1127 0.0944 -0.0206 0.0017 0.0331 172 ALA A CA 1405 C C . ALA A 172 ? 0.1224 0.1244 0.0819 -0.0156 0.0017 0.0214 172 ALA A C 1406 O O . ALA A 172 ? 0.1295 0.1206 0.0821 -0.0024 0.0020 0.0084 172 ALA A O 1407 C CB . ALA A 172 ? 0.1146 0.1522 0.1046 -0.0321 0.0173 0.0216 172 ALA A CB 1408 N N . TYR A 173 ? 0.1190 0.1074 0.0715 -0.0180 -0.0012 0.0101 173 TYR A N 1409 C CA . TYR A 173 ? 0.1425 0.1152 0.0823 -0.0332 0.0073 0.0290 173 TYR A CA 1410 C C . TYR A 173 ? 0.1543 0.1291 0.1022 -0.0224 0.0007 0.0160 173 TYR A C 1411 O O . TYR A 173 ? 0.1571 0.1495 0.1037 -0.0091 0.0013 0.0150 173 TYR A O 1412 C CB . TYR A 173 ? 0.1624 0.1341 0.0885 -0.0378 0.0095 0.0089 173 TYR A CB 1413 C CG . TYR A 173 ? 0.1876 0.1607 0.0894 -0.0599 0.0074 0.0103 173 TYR A CG 1414 C CD1 . TYR A 173 ? 0.2127 0.1618 0.0832 -0.0626 0.0104 0.0196 173 TYR A CD1 1415 C CD2 . TYR A 173 ? 0.2015 0.1882 0.0939 -0.0417 0.0069 0.0107 173 TYR A CD2 1416 C CE1 . TYR A 173 ? 0.2287 0.1725 0.0851 -0.0714 0.0051 0.0288 173 TYR A CE1 1417 C CE2 . TYR A 173 ? 0.2178 0.2182 0.0808 -0.0388 0.0045 0.0104 173 TYR A CE2 1418 C CZ . TYR A 173 ? 0.2353 0.2144 0.0810 -0.0517 0.0031 0.0340 173 TYR A CZ 1419 O OH . TYR A 173 ? 0.2651 0.2818 0.0887 -0.0467 -0.0004 0.0343 173 TYR A OH 1420 N N . GLN A 174 ? 0.1764 0.1129 0.1241 -0.0437 -0.0086 -0.0230 174 GLN A N 1421 C CA . GLN A 174 ? 0.2063 0.1623 0.1708 -0.0628 -0.0087 -0.0373 174 GLN A CA 1422 C C . GLN A 174 ? 0.1997 0.1908 0.1804 -0.0691 -0.0208 -0.0340 174 GLN A C 1423 O O . GLN A 174 ? 0.2115 0.2412 0.2080 -0.0643 -0.0195 -0.0542 174 GLN A O 1424 C CB . GLN A 174 ? 0.2472 0.1922 0.2171 -0.0768 0.0031 -0.0574 174 GLN A CB 1425 C CG . GLN A 174 ? 0.2886 0.2536 0.2693 -0.0629 0.0259 -0.0598 174 GLN A CG 1426 C CD . GLN A 174 ? 0.3242 0.3241 0.3217 -0.0437 0.0425 -0.0441 174 GLN A CD 1427 O OE1 . GLN A 174 ? 0.3411 0.3394 0.3486 -0.0238 0.0418 -0.0421 174 GLN A OE1 1428 N NE2 . GLN A 174 ? 0.3387 0.3530 0.3380 -0.0477 0.0409 -0.0496 174 GLN A NE2 1429 N N . GLY A 175 ? 0.1826 0.1985 0.1712 -0.0635 -0.0218 -0.0038 175 GLY A N 1430 C CA . GLY A 175 ? 0.1764 0.2054 0.1749 -0.0620 -0.0152 0.0086 175 GLY A CA 1431 C C . GLY A 175 ? 0.1825 0.2200 0.1859 -0.0665 -0.0015 0.0150 175 GLY A C 1432 O O . GLY A 175 ? 0.1807 0.2485 0.2011 -0.0631 0.0052 0.0220 175 GLY A O 1433 N N . THR A 176 ? 0.1848 0.1803 0.1795 -0.0752 -0.0001 0.0144 176 THR A N 1434 C CA . THR A 176 ? 0.2086 0.1931 0.1812 -0.0615 0.0029 0.0112 176 THR A CA 1435 C C . THR A 176 ? 0.1827 0.1692 0.1601 -0.0498 0.0134 0.0270 176 THR A C 1436 O O . THR A 176 ? 0.1746 0.1549 0.1661 -0.0436 0.0199 0.0209 176 THR A O 1437 C CB . THR A 176 ? 0.2491 0.2198 0.2107 -0.0685 -0.0032 0.0032 176 THR A CB 1438 O OG1 . THR A 176 ? 0.2727 0.2444 0.2368 -0.0754 -0.0084 0.0004 176 THR A OG1 1439 C CG2 . THR A 176 ? 0.2589 0.2419 0.2149 -0.0638 -0.0052 0.0035 176 THR A CG2 1440 N N . PRO A 177 ? 0.1662 0.1505 0.1293 -0.0383 0.0263 0.0290 177 PRO A N 1441 C CA . PRO A 177 ? 0.1734 0.1384 0.1249 -0.0458 0.0271 0.0278 177 PRO A CA 1442 C C . PRO A 177 ? 0.1983 0.1275 0.1341 -0.0496 0.0408 0.0234 177 PRO A C 1443 O O . PRO A 177 ? 0.2167 0.1689 0.1449 -0.0563 0.0498 0.0188 177 PRO A O 1444 C CB . PRO A 177 ? 0.1731 0.1657 0.1274 -0.0309 0.0387 0.0131 177 PRO A CB 1445 C CG . PRO A 177 ? 0.1764 0.1808 0.1424 -0.0272 0.0357 0.0150 177 PRO A CG 1446 C CD . PRO A 177 ? 0.1673 0.1594 0.1326 -0.0288 0.0211 0.0335 177 PRO A CD 1447 N N . LEU A 178 ? 0.2071 0.1280 0.1282 -0.0578 0.0436 0.0300 178 LEU A N 1448 C CA . LEU A 178 ? 0.2159 0.1354 0.1330 -0.0496 0.0419 0.0447 178 LEU A CA 1449 C C . LEU A 178 ? 0.1946 0.1301 0.1381 -0.0506 0.0433 0.0432 178 LEU A C 1450 O O . LEU A 178 ? 0.2081 0.1304 0.1458 -0.0560 0.0506 0.0348 178 LEU A O 1451 C CB . LEU A 178 ? 0.2393 0.1963 0.1602 -0.0525 0.0528 0.0368 178 LEU A CB 1452 C CG . LEU A 178 ? 0.2700 0.2774 0.1973 -0.0384 0.0495 0.0208 178 LEU A CG 1453 C CD1 . LEU A 178 ? 0.2821 0.2768 0.2136 -0.0303 0.0572 0.0257 178 LEU A CD1 1454 C CD2 . LEU A 178 ? 0.2797 0.3134 0.2117 -0.0448 0.0454 0.0172 178 LEU A CD2 1455 N N . PRO A 179 ? 0.2089 0.1260 0.1400 -0.0636 0.0398 0.0305 179 PRO A N 1456 C CA . PRO A 179 ? 0.1821 0.1353 0.1329 -0.0616 0.0400 0.0337 179 PRO A CA 1457 C C . PRO A 179 ? 0.1671 0.1351 0.1134 -0.0596 0.0322 0.0308 179 PRO A C 1458 O O . PRO A 179 ? 0.1760 0.1458 0.1310 -0.0435 0.0359 0.0286 179 PRO A O 1459 C CB . PRO A 179 ? 0.2095 0.1818 0.1475 -0.0732 0.0451 0.0456 179 PRO A CB 1460 C CG . PRO A 179 ? 0.2255 0.1993 0.1572 -0.0708 0.0568 0.0481 179 PRO A CG 1461 C CD . PRO A 179 ? 0.2192 0.1574 0.1522 -0.0737 0.0424 0.0404 179 PRO A CD 1462 N N . ALA A 180 ? 0.1366 0.1329 0.0825 -0.0423 0.0157 0.0397 180 ALA A N 1463 C CA . ALA A 180 ? 0.1277 0.1538 0.0732 -0.0390 0.0092 0.0403 180 ALA A CA 1464 C C . ALA A 180 ? 0.1200 0.1840 0.0831 -0.0473 0.0125 0.0396 180 ALA A C 1465 O O . ALA A 180 ? 0.1235 0.2502 0.0939 -0.0349 -0.0044 0.0361 180 ALA A O 1466 C CB . ALA A 180 ? 0.1386 0.1450 0.0841 -0.0157 0.0144 0.0362 180 ALA A CB 1467 N N . ASN A 181 ? 0.1196 0.1502 0.0743 -0.0409 0.0078 0.0403 181 ASN A N 1468 C CA . ASN A 181 ? 0.1205 0.1377 0.0729 -0.0371 0.0046 0.0423 181 ASN A CA 1469 C C . ASN A 181 ? 0.1529 0.1393 0.0631 -0.0361 0.0158 0.0275 181 ASN A C 1470 O O . ASN A 181 ? 0.2049 0.1715 0.0733 -0.0374 0.0313 0.0197 181 ASN A O 1471 C CB . ASN A 181 ? 0.1182 0.1798 0.0953 -0.0418 -0.0059 0.0622 181 ASN A CB 1472 C CG . ASN A 181 ? 0.1265 0.2098 0.1252 -0.0383 -0.0052 0.0837 181 ASN A CG 1473 O OD1 . ASN A 181 ? 0.1224 0.2032 0.1234 -0.0506 0.0041 0.0692 181 ASN A OD1 1474 N ND2 . ASN A 181 ? 0.1493 0.2203 0.1480 -0.0208 0.0007 0.1009 181 ASN A ND2 1475 N N . ILE A 182 ? 0.1318 0.1170 0.0565 -0.0321 0.0030 0.0299 182 ILE A N 1476 C CA . ILE A 182 ? 0.1207 0.1452 0.0498 -0.0206 0.0077 0.0253 182 ILE A CA 1477 C C . ILE A 182 ? 0.1156 0.1564 0.0506 -0.0046 0.0162 0.0236 182 ILE A C 1478 O O . ILE A 182 ? 0.1208 0.2060 0.0608 0.0064 0.0153 0.0107 182 ILE A O 1479 C CB . ILE A 182 ? 0.1436 0.1640 0.0697 -0.0535 0.0006 0.0137 182 ILE A CB 1480 C CG1 . ILE A 182 ? 0.1525 0.1673 0.0752 -0.0730 -0.0016 0.0120 182 ILE A CG1 1481 C CG2 . ILE A 182 ? 0.1529 0.1918 0.0910 -0.0617 0.0064 0.0192 182 ILE A CG2 1482 C CD1 . ILE A 182 ? 0.1656 0.1678 0.0986 -0.0763 -0.0019 0.0064 182 ILE A CD1 1483 N N . LEU A 183 ? 0.1153 0.1318 0.0568 -0.0173 0.0163 0.0325 183 LEU A N 1484 C CA . LEU A 183 ? 0.1005 0.1198 0.0630 -0.0191 0.0198 0.0345 183 LEU A CA 1485 C C . LEU A 183 ? 0.0988 0.1213 0.0616 -0.0203 0.0134 0.0366 183 LEU A C 1486 O O . LEU A 183 ? 0.0952 0.1271 0.0589 -0.0219 0.0189 0.0287 183 LEU A O 1487 C CB . LEU A 183 ? 0.1066 0.1325 0.0640 -0.0159 0.0299 0.0287 183 LEU A CB 1488 C CG . LEU A 183 ? 0.1236 0.1276 0.0706 -0.0173 0.0252 0.0355 183 LEU A CG 1489 C CD1 . LEU A 183 ? 0.1337 0.1520 0.0674 -0.0225 0.0259 0.0191 183 LEU A CD1 1490 C CD2 . LEU A 183 ? 0.1372 0.1446 0.0882 -0.0178 0.0224 0.0280 183 LEU A CD2 1491 N N . ASP A 184 ? 0.0979 0.1285 0.0666 -0.0195 0.0216 0.0349 184 ASP A N 1492 C CA . ASP A 184 ? 0.1023 0.1186 0.0809 -0.0282 -0.0028 0.0454 184 ASP A CA 1493 C C . ASP A 184 ? 0.0994 0.1105 0.0757 -0.0263 0.0109 0.0424 184 ASP A C 1494 O O . ASP A 184 ? 0.1049 0.1395 0.0757 -0.0218 0.0136 0.0464 184 ASP A O 1495 C CB . ASP A 184 ? 0.1332 0.1294 0.1199 -0.0519 -0.0313 0.0532 184 ASP A CB 1496 C CG . ASP A 184 ? 0.1663 0.1619 0.1649 -0.0314 -0.0486 0.0832 184 ASP A CG 1497 O OD1 . ASP A 184 ? 0.1814 0.1659 0.1625 -0.0294 -0.0537 0.0864 184 ASP A OD1 1498 O OD2 . ASP A 184 ? 0.1731 0.1962 0.2066 -0.0285 -0.0763 0.0655 184 ASP A OD2 1499 N N . TRP A 185 ? 0.0991 0.1129 0.0693 -0.0237 0.0030 0.0438 185 TRP A N 1500 C CA . TRP A 185 ? 0.1053 0.1046 0.0744 -0.0151 0.0082 0.0470 185 TRP A CA 1501 C C . TRP A 185 ? 0.1044 0.1248 0.0921 -0.0270 0.0090 0.0532 185 TRP A C 1502 O O . TRP A 185 ? 0.1092 0.1390 0.0977 -0.0392 0.0106 0.0504 185 TRP A O 1503 C CB . TRP A 185 ? 0.1007 0.1011 0.0683 -0.0123 0.0192 0.0402 185 TRP A CB 1504 C CG . TRP A 185 ? 0.0948 0.1104 0.0615 -0.0273 0.0205 0.0264 185 TRP A CG 1505 C CD1 . TRP A 185 ? 0.1075 0.1225 0.0704 -0.0227 0.0221 0.0373 185 TRP A CD1 1506 C CD2 . TRP A 185 ? 0.1000 0.1105 0.0648 -0.0157 0.0314 0.0289 185 TRP A CD2 1507 N NE1 . TRP A 185 ? 0.1113 0.1394 0.0733 -0.0210 0.0144 0.0453 185 TRP A NE1 1508 C CE2 . TRP A 185 ? 0.0974 0.1157 0.0672 -0.0091 0.0285 0.0347 185 TRP A CE2 1509 C CE3 . TRP A 185 ? 0.1184 0.1308 0.0651 0.0044 0.0340 0.0324 185 TRP A CE3 1510 C CZ2 . TRP A 185 ? 0.1198 0.1316 0.0723 -0.0029 0.0349 0.0375 185 TRP A CZ2 1511 C CZ3 . TRP A 185 ? 0.1318 0.1282 0.0707 0.0084 0.0360 0.0367 185 TRP A CZ3 1512 C CH2 . TRP A 185 ? 0.1373 0.1272 0.0794 0.0092 0.0370 0.0433 185 TRP A CH2 1513 N N . GLN A 186 ? 0.1046 0.1162 0.0962 -0.0313 -0.0018 0.0546 186 GLN A N 1514 C CA . GLN A 186 ? 0.1214 0.1352 0.1130 -0.0408 0.0040 0.0594 186 GLN A CA 1515 C C . GLN A 186 ? 0.1350 0.1448 0.1190 -0.0514 0.0080 0.0563 186 GLN A C 1516 O O . GLN A 186 ? 0.1493 0.1552 0.1366 -0.0636 0.0098 0.0559 186 GLN A O 1517 C CB . GLN A 186 ? 0.1331 0.1549 0.1253 -0.0574 -0.0063 0.0629 186 GLN A CB 1518 C CG . GLN A 186 ? 0.1495 0.1583 0.1417 -0.0667 -0.0167 0.0589 186 GLN A CG 1519 C CD . GLN A 186 ? 0.1690 0.1720 0.1767 -0.0718 -0.0141 0.0706 186 GLN A CD 1520 O OE1 . GLN A 186 ? 0.1878 0.1935 0.2100 -0.0815 0.0120 0.0753 186 GLN A OE1 1521 N NE2 . GLN A 186 ? 0.1742 0.1864 0.1849 -0.0550 -0.0134 0.0703 186 GLN A NE2 1522 N N . ALA A 187 ? 0.1516 0.1526 0.1111 -0.0421 0.0251 0.0555 187 ALA A N 1523 C CA . ALA A 187 ? 0.1554 0.1481 0.1070 -0.0377 0.0352 0.0503 187 ALA A CA 1524 C C . ALA A 187 ? 0.1378 0.1606 0.1108 -0.0441 0.0406 0.0401 187 ALA A C 1525 O O . ALA A 187 ? 0.1650 0.1826 0.1174 -0.0400 0.0429 0.0399 187 ALA A O 1526 C CB . ALA A 187 ? 0.1796 0.1537 0.1112 -0.0288 0.0354 0.0614 187 ALA A CB 1527 N N . LEU A 188 ? 0.1127 0.1582 0.1168 -0.0438 0.0352 0.0381 188 LEU A N 1528 C CA . LEU A 188 ? 0.1069 0.1727 0.0986 -0.0284 0.0255 0.0292 188 LEU A CA 1529 C C . LEU A 188 ? 0.1158 0.2334 0.1005 -0.0317 0.0389 0.0173 188 LEU A C 1530 O O . LEU A 188 ? 0.1285 0.2551 0.1133 -0.0211 0.0337 0.0054 188 LEU A O 1531 C CB . LEU A 188 ? 0.1181 0.1690 0.1031 -0.0334 0.0194 0.0545 188 LEU A CB 1532 C CG . LEU A 188 ? 0.1270 0.1828 0.1086 -0.0330 0.0291 0.0435 188 LEU A CG 1533 C CD1 . LEU A 188 ? 0.1306 0.1807 0.1316 -0.0276 0.0395 0.0388 188 LEU A CD1 1534 C CD2 . LEU A 188 ? 0.1314 0.1845 0.0996 -0.0367 0.0307 0.0360 188 LEU A CD2 1535 N N . ASN A 189 ? 0.1153 0.2354 0.0930 -0.0248 0.0353 0.0194 189 ASN A N 1536 C CA . ASN A 189 ? 0.1398 0.2670 0.1102 -0.0157 0.0253 0.0263 189 ASN A CA 1537 C C . ASN A 189 ? 0.1355 0.2420 0.1182 -0.0250 0.0252 0.0287 189 ASN A C 1538 O O . ASN A 189 ? 0.1423 0.2552 0.1295 -0.0415 0.0238 0.0270 189 ASN A O 1539 C CB . ASN A 189 ? 0.1804 0.3259 0.1334 -0.0045 0.0153 0.0204 189 ASN A CB 1540 C CG . ASN A 189 ? 0.2394 0.4212 0.1752 -0.0007 -0.0011 0.0182 189 ASN A CG 1541 O OD1 . ASN A 189 ? 0.2625 0.4678 0.1979 0.0008 0.0003 0.0028 189 ASN A OD1 1542 N ND2 . ASN A 189 ? 0.2696 0.4581 0.1986 -0.0061 -0.0112 0.0207 189 ASN A ND2 1543 N N . TYR A 190 ? 0.1288 0.2247 0.1113 -0.0210 0.0286 0.0627 190 TYR A N 1544 C CA . TYR A 190 ? 0.1395 0.2110 0.1072 -0.0074 0.0364 0.0619 190 TYR A CA 1545 C C . TYR A 190 ? 0.1261 0.2268 0.1112 -0.0132 0.0419 0.0451 190 TYR A C 1546 O O . TYR A 190 ? 0.1498 0.2323 0.1210 -0.0008 0.0560 0.0320 190 TYR A O 1547 C CB . TYR A 190 ? 0.1396 0.2201 0.1014 0.0076 0.0442 0.0507 190 TYR A CB 1548 C CG . TYR A 190 ? 0.1613 0.2645 0.1012 0.0001 0.0431 0.0442 190 TYR A CG 1549 C CD1 . TYR A 190 ? 0.1722 0.2924 0.1033 -0.0072 0.0353 0.0493 190 TYR A CD1 1550 C CD2 . TYR A 190 ? 0.1784 0.2830 0.0998 -0.0011 0.0381 0.0396 190 TYR A CD2 1551 C CE1 . TYR A 190 ? 0.2048 0.3178 0.1101 -0.0175 0.0273 0.0504 190 TYR A CE1 1552 C CE2 . TYR A 190 ? 0.1977 0.3119 0.1020 -0.0064 0.0181 0.0395 190 TYR A CE2 1553 C CZ . TYR A 190 ? 0.2179 0.3444 0.1074 -0.0378 0.0151 0.0451 190 TYR A CZ 1554 O OH . TYR A 190 ? 0.2492 0.3654 0.1105 -0.0728 0.0069 0.0386 190 TYR A OH 1555 N N . GLU A 191 ? 0.1264 0.2362 0.1162 0.0032 0.0383 0.0244 191 GLU A N 1556 C CA . GLU A 191 ? 0.1449 0.2590 0.1243 -0.0033 0.0427 0.0138 191 GLU A CA 1557 C C . GLU A 191 ? 0.1217 0.2595 0.1216 0.0031 0.0428 0.0286 191 GLU A C 1558 O O . GLU A 191 ? 0.1169 0.2600 0.1275 0.0045 0.0274 0.0454 191 GLU A O 1559 C CB . GLU A 191 ? 0.1961 0.3308 0.1466 -0.0009 0.0686 0.0176 191 GLU A CB 1560 C CG . GLU A 191 ? 0.2476 0.4085 0.1840 -0.0128 0.0858 0.0146 191 GLU A CG 1561 C CD . GLU A 191 ? 0.2956 0.4759 0.2208 -0.0211 0.0969 0.0150 191 GLU A CD 1562 O OE1 . GLU A 191 ? 0.3152 0.4976 0.2345 -0.0269 0.1029 0.0137 191 GLU A OE1 1563 O OE2 . GLU A 191 ? 0.3202 0.5115 0.2316 -0.0095 0.0955 0.0120 191 GLU A OE2 1564 N N . ILE A 192 ? 0.1195 0.2463 0.1135 -0.0098 0.0438 0.0206 192 ILE A N 1565 C CA . ILE A 192 ? 0.1168 0.2457 0.1221 -0.0094 0.0469 0.0102 192 ILE A CA 1566 C C . ILE A 192 ? 0.1308 0.2424 0.1229 -0.0012 0.0474 0.0045 192 ILE A C 1567 O O . ILE A 192 ? 0.1492 0.2548 0.1136 0.0147 0.0574 0.0025 192 ILE A O 1568 C CB . ILE A 192 ? 0.1369 0.2308 0.1337 -0.0008 0.0258 -0.0104 192 ILE A CB 1569 C CG1 . ILE A 192 ? 0.1528 0.2123 0.1568 -0.0037 0.0109 -0.0112 192 ILE A CG1 1570 C CG2 . ILE A 192 ? 0.1461 0.2273 0.1277 0.0200 0.0237 -0.0238 192 ILE A CG2 1571 C CD1 . ILE A 192 ? 0.1696 0.2107 0.1615 0.0060 0.0058 -0.0248 192 ILE A CD1 1572 N N . ARG A 193 ? 0.1279 0.2441 0.1188 0.0136 0.0430 -0.0054 193 ARG A N 1573 C CA . ARG A 193 ? 0.1519 0.2422 0.1174 0.0184 0.0297 -0.0269 193 ARG A CA 1574 C C . ARG A 193 ? 0.1475 0.2408 0.1289 0.0509 0.0343 -0.0354 193 ARG A C 1575 O O . ARG A 193 ? 0.1436 0.2707 0.1376 0.0679 0.0438 -0.0166 193 ARG A O 1576 C CB . ARG A 193 ? 0.1916 0.2785 0.1198 0.0026 0.0150 -0.0246 193 ARG A CB 1577 C CG . ARG A 193 ? 0.2341 0.3214 0.1272 0.0139 0.0182 -0.0284 193 ARG A CG 1578 C CD . ARG A 193 ? 0.2781 0.3705 0.1424 0.0301 0.0229 -0.0178 193 ARG A CD 1579 N NE . ARG A 193 ? 0.3211 0.4195 0.1705 0.0276 0.0270 -0.0061 193 ARG A NE 1580 C CZ . ARG A 193 ? 0.3503 0.4485 0.1854 0.0322 0.0230 0.0017 193 ARG A CZ 1581 N NH1 . ARG A 193 ? 0.3603 0.4503 0.1860 0.0380 0.0255 0.0005 193 ARG A NH1 1582 N NH2 . ARG A 193 ? 0.3576 0.4671 0.1889 0.0360 0.0242 -0.0021 193 ARG A NH2 1583 N N . GLY A 194 ? 0.1636 0.2239 0.1307 0.0445 0.0258 -0.0534 194 GLY A N 1584 C CA . GLY A 194 ? 0.1591 0.2030 0.1293 0.0552 0.0177 -0.0377 194 GLY A CA 1585 C C . GLY A 194 ? 0.1504 0.1865 0.1192 0.0454 0.0157 -0.0281 194 GLY A C 1586 O O . GLY A 194 ? 0.1758 0.2388 0.1214 0.0475 0.0156 -0.0299 194 GLY A O 1587 N N . TYR A 195 ? 0.1321 0.1462 0.1018 0.0355 0.0082 -0.0142 195 TYR A N 1588 C CA . TYR A 195 ? 0.1242 0.1423 0.1080 0.0298 0.0045 -0.0083 195 TYR A CA 1589 C C . TYR A 195 ? 0.1168 0.1206 0.0985 0.0263 0.0234 -0.0184 195 TYR A C 1590 O O . TYR A 195 ? 0.1176 0.1141 0.1081 0.0250 0.0141 -0.0187 195 TYR A O 1591 C CB . TYR A 195 ? 0.1277 0.1373 0.1189 0.0233 -0.0103 -0.0067 195 TYR A CB 1592 C CG . TYR A 195 ? 0.1309 0.1468 0.1209 0.0154 -0.0013 -0.0068 195 TYR A CG 1593 C CD1 . TYR A 195 ? 0.1285 0.1357 0.1129 0.0051 0.0031 0.0053 195 TYR A CD1 1594 C CD2 . TYR A 195 ? 0.1265 0.1436 0.1120 0.0233 0.0130 -0.0106 195 TYR A CD2 1595 C CE1 . TYR A 195 ? 0.1095 0.1309 0.1015 0.0112 0.0154 0.0126 195 TYR A CE1 1596 C CE2 . TYR A 195 ? 0.1124 0.1584 0.0984 0.0239 0.0197 0.0013 195 TYR A CE2 1597 C CZ . TYR A 195 ? 0.1027 0.1351 0.0981 0.0326 0.0063 0.0046 195 TYR A CZ 1598 O OH . TYR A 195 ? 0.1003 0.1621 0.1000 0.0294 -0.0063 0.0169 195 TYR A OH 1599 N N . VAL A 196 ? 0.1155 0.1335 0.0804 0.0270 0.0282 -0.0057 196 VAL A N 1600 C CA . VAL A 196 ? 0.1157 0.1336 0.0753 0.0093 0.0312 0.0019 196 VAL A CA 1601 C C . VAL A 196 ? 0.1174 0.1381 0.0700 0.0088 0.0359 0.0038 196 VAL A C 1602 O O . VAL A 196 ? 0.1311 0.1596 0.0734 -0.0046 0.0470 -0.0124 196 VAL A O 1603 C CB . VAL A 196 ? 0.1170 0.1346 0.0887 0.0019 0.0086 -0.0061 196 VAL A CB 1604 C CG1 . VAL A 196 ? 0.1114 0.1312 0.0892 0.0112 -0.0149 -0.0160 196 VAL A CG1 1605 C CG2 . VAL A 196 ? 0.1206 0.1534 0.1019 0.0039 -0.0218 -0.0195 196 VAL A CG2 1606 N N . ILE A 197 ? 0.1056 0.1167 0.0654 0.0113 0.0335 0.0171 197 ILE A N 1607 C CA . ILE A 197 ? 0.0891 0.1105 0.0656 0.0145 0.0112 0.0265 197 ILE A CA 1608 C C . ILE A 197 ? 0.0709 0.1235 0.0723 0.0211 0.0249 0.0208 197 ILE A C 1609 O O . ILE A 197 ? 0.0797 0.1298 0.1058 0.0283 0.0421 0.0076 197 ILE A O 1610 C CB . ILE A 197 ? 0.1168 0.1210 0.0746 0.0223 0.0151 0.0108 197 ILE A CB 1611 C CG1 . ILE A 197 ? 0.1262 0.1154 0.0806 0.0127 0.0228 0.0086 197 ILE A CG1 1612 C CG2 . ILE A 197 ? 0.1452 0.1478 0.1087 0.0351 0.0060 0.0062 197 ILE A CG2 1613 C CD1 . ILE A 197 ? 0.1310 0.0919 0.0856 0.0189 0.0342 0.0266 197 ILE A CD1 1614 N N . ILE A 198 ? 0.0863 0.1060 0.0824 0.0204 0.0169 0.0259 198 ILE A N 1615 C CA . ILE A 198 ? 0.0956 0.1421 0.0760 0.0084 0.0184 0.0351 198 ILE A CA 1616 C C . ILE A 198 ? 0.0873 0.1667 0.0779 -0.0124 0.0077 0.0224 198 ILE A C 1617 O O . ILE A 198 ? 0.0996 0.1932 0.1000 -0.0104 0.0015 0.0121 198 ILE A O 1618 C CB . ILE A 198 ? 0.1171 0.1610 0.0773 -0.0008 0.0215 0.0444 198 ILE A CB 1619 C CG1 . ILE A 198 ? 0.1317 0.1900 0.0843 0.0020 0.0071 0.0549 198 ILE A CG1 1620 C CG2 . ILE A 198 ? 0.1221 0.1715 0.0898 -0.0125 0.0073 0.0531 198 ILE A CG2 1621 C CD1 . ILE A 198 ? 0.1549 0.2143 0.0923 0.0072 0.0131 0.0384 198 ILE A CD1 1622 N N . LYS A 199 ? 0.0860 0.1530 0.0744 -0.0027 0.0060 0.0107 199 LYS A N 1623 C CA . LYS A 199 ? 0.1009 0.1415 0.0890 0.0006 -0.0031 0.0294 199 LYS A CA 1624 C C . LYS A 199 ? 0.1074 0.1235 0.0939 -0.0108 -0.0055 0.0346 199 LYS A C 1625 O O . LYS A 199 ? 0.1061 0.1115 0.0967 0.0016 -0.0115 0.0263 199 LYS A O 1626 C CB . LYS A 199 ? 0.0999 0.1467 0.1184 0.0165 -0.0051 0.0347 199 LYS A CB 1627 C CG . LYS A 199 ? 0.1067 0.1954 0.1637 0.0235 -0.0144 0.0425 199 LYS A CG 1628 C CD . LYS A 199 ? 0.1201 0.2315 0.2120 0.0256 -0.0386 0.0462 199 LYS A CD 1629 C CE . LYS A 199 ? 0.1399 0.2654 0.2460 0.0085 -0.0534 0.0419 199 LYS A CE 1630 N NZ . LYS A 199 ? 0.1676 0.3084 0.2843 0.0056 -0.0542 0.0213 199 LYS A NZ 1631 N N . PRO A 200 ? 0.1181 0.1152 0.1074 -0.0162 -0.0164 0.0162 200 PRO A N 1632 C CA . PRO A 200 ? 0.1411 0.1172 0.1096 -0.0096 -0.0155 0.0195 200 PRO A CA 1633 C C . PRO A 200 ? 0.1452 0.1144 0.0973 0.0081 -0.0109 0.0238 200 PRO A C 1634 O O . PRO A 200 ? 0.1507 0.1457 0.1048 0.0216 -0.0073 0.0199 200 PRO A O 1635 C CB . PRO A 200 ? 0.1619 0.1262 0.1303 -0.0112 -0.0118 -0.0015 200 PRO A CB 1636 C CG . PRO A 200 ? 0.1562 0.1396 0.1408 -0.0299 -0.0287 -0.0040 200 PRO A CG 1637 C CD . PRO A 200 ? 0.1395 0.1346 0.1322 -0.0113 -0.0300 0.0069 200 PRO A CD 1638 N N . LEU A 201 ? 0.1651 0.1177 0.0899 0.0227 0.0038 0.0330 201 LEU A N 1639 C CA . LEU A 201 ? 0.1845 0.1389 0.0922 0.0351 0.0125 0.0536 201 LEU A CA 1640 C C . LEU A 201 ? 0.2211 0.1264 0.0933 0.0217 0.0073 0.0294 201 LEU A C 1641 O O . LEU A 201 ? 0.2887 0.1520 0.1078 0.0220 0.0148 0.0194 201 LEU A O 1642 C CB . LEU A 201 ? 0.1843 0.1831 0.1173 0.0223 0.0339 0.0762 201 LEU A CB 1643 C CG . LEU A 201 ? 0.2133 0.2352 0.1545 0.0103 0.0314 0.0802 201 LEU A CG 1644 C CD1 . LEU A 201 ? 0.2285 0.2313 0.1446 0.0006 0.0195 0.0843 201 LEU A CD1 1645 C CD2 . LEU A 201 ? 0.2277 0.2541 0.1722 0.0156 0.0331 0.1105 201 LEU A CD2 1646 N N . VAL A 202 ? 0.1715 0.1260 0.0834 -0.0006 -0.0049 0.0131 202 VAL A N 1647 C CA . VAL A 202 ? 0.1660 0.1370 0.0927 0.0113 -0.0086 0.0072 202 VAL A CA 1648 C C . VAL A 202 ? 0.1660 0.1442 0.1059 -0.0028 0.0016 0.0243 202 VAL A C 1649 O O . VAL A 202 ? 0.1690 0.1615 0.1209 -0.0102 -0.0115 0.0150 202 VAL A O 1650 C CB . VAL A 202 ? 0.1704 0.1476 0.0930 0.0139 -0.0220 0.0139 202 VAL A CB 1651 C CG1 . VAL A 202 ? 0.1684 0.1828 0.1147 0.0028 -0.0137 0.0053 202 VAL A CG1 1652 C CG2 . VAL A 202 ? 0.1817 0.1335 0.0942 0.0181 -0.0307 0.0068 202 VAL A CG2 1653 N N . TRP A 203 ? 0.1582 0.1425 0.1083 -0.0109 0.0208 0.0262 203 TRP A N 1654 C CA . TRP A 203 ? 0.1523 0.1727 0.1236 0.0128 0.0089 0.0192 203 TRP A CA 1655 C C . TRP A 203 ? 0.1964 0.2716 0.1897 0.0452 0.0028 0.0236 203 TRP A C 1656 O O . TRP A 203 ? 0.2000 0.3229 0.1986 0.0767 0.0141 0.0336 203 TRP A O 1657 C CB . TRP A 203 ? 0.1389 0.1822 0.0996 -0.0003 -0.0061 0.0172 203 TRP A CB 1658 C CG . TRP A 203 ? 0.1138 0.1471 0.0815 -0.0008 -0.0153 0.0404 203 TRP A CG 1659 C CD1 . TRP A 203 ? 0.1118 0.1221 0.0822 -0.0064 -0.0313 0.0349 203 TRP A CD1 1660 C CD2 . TRP A 203 ? 0.1063 0.1466 0.0870 -0.0010 -0.0084 0.0409 203 TRP A CD2 1661 N NE1 . TRP A 203 ? 0.1245 0.1249 0.0964 0.0153 -0.0281 0.0191 203 TRP A NE1 1662 C CE2 . TRP A 203 ? 0.1180 0.1355 0.0939 -0.0039 -0.0157 0.0404 203 TRP A CE2 1663 C CE3 . TRP A 203 ? 0.1200 0.1715 0.0893 0.0335 -0.0092 0.0519 203 TRP A CE3 1664 C CZ2 . TRP A 203 ? 0.1272 0.1363 0.0819 0.0050 -0.0056 0.0415 203 TRP A CZ2 1665 C CZ3 . TRP A 203 ? 0.1208 0.1717 0.0906 0.0441 -0.0103 0.0490 203 TRP A CZ3 1666 C CH2 . TRP A 203 ? 0.1362 0.1597 0.0834 0.0212 -0.0057 0.0447 203 TRP A CH2 1667 N N . VAL A 204 ? 0.2440 0.3329 0.2490 0.0650 -0.0137 0.0453 204 VAL A N 1668 C CA . VAL A 204 ? 0.3316 0.4205 0.3204 0.0400 -0.0065 0.0421 204 VAL A CA 1669 C C . VAL A 204 ? 0.3995 0.4864 0.3549 0.0135 0.0061 0.0401 204 VAL A C 1670 O O . VAL A 204 ? 0.4239 0.5032 0.3619 0.0105 0.0045 0.0359 204 VAL A O 1671 C CB . VAL A 204 ? 0.3463 0.4478 0.3414 0.0511 -0.0017 0.0374 204 VAL A CB 1672 C CG1 . VAL A 204 ? 0.3598 0.4736 0.3538 0.0538 0.0055 0.0331 204 VAL A CG1 1673 C CG2 . VAL A 204 ? 0.3430 0.4523 0.3453 0.0439 -0.0107 0.0339 204 VAL A CG2 1674 O OXT . VAL A 204 ? 0.4225 0.5176 0.3697 -0.0081 0.0122 0.0476 204 VAL A OXT 1675 N N . HIS B 1 ? 0.2771 0.3534 0.3823 0.0058 -0.0019 -0.1464 1 HIS B N 1676 C CA . HIS B 1 ? 0.2836 0.3511 0.3737 0.0005 -0.0017 -0.1328 1 HIS B CA 1677 C C . HIS B 1 ? 0.2500 0.3013 0.3353 -0.0081 -0.0166 -0.1220 1 HIS B C 1678 O O . HIS B 1 ? 0.2511 0.3096 0.3364 -0.0251 -0.0209 -0.1362 1 HIS B O 1679 C CB . HIS B 1 ? 0.3057 0.3842 0.3952 -0.0098 0.0064 -0.1279 1 HIS B CB 1680 C CG . HIS B 1 ? 0.3288 0.4162 0.4155 -0.0116 0.0278 -0.1231 1 HIS B CG 1681 N ND1 . HIS B 1 ? 0.3386 0.4250 0.4226 -0.0019 0.0446 -0.1263 1 HIS B ND1 1682 C CD2 . HIS B 1 ? 0.3363 0.4200 0.4196 -0.0067 0.0371 -0.1234 1 HIS B CD2 1683 C CE1 . HIS B 1 ? 0.3395 0.4192 0.4243 -0.0022 0.0497 -0.1263 1 HIS B CE1 1684 N NE2 . HIS B 1 ? 0.3426 0.4162 0.4206 -0.0080 0.0418 -0.1269 1 HIS B NE2 1685 N N . THR B 2 ? 0.2194 0.2212 0.2923 -0.0112 -0.0329 -0.0990 2 THR B N 1686 C CA . THR B 2 ? 0.1968 0.1846 0.2501 -0.0249 -0.0462 -0.0536 2 THR B CA 1687 C C . THR B 2 ? 0.1659 0.1408 0.2024 -0.0374 -0.0185 -0.0462 2 THR B C 1688 O O . THR B 2 ? 0.1685 0.1382 0.1904 -0.0178 -0.0039 -0.0672 2 THR B O 1689 C CB . THR B 2 ? 0.2315 0.2215 0.2686 -0.0166 -0.0607 -0.0190 2 THR B CB 1690 O OG1 . THR B 2 ? 0.2589 0.2560 0.2842 0.0048 -0.0571 -0.0030 2 THR B OG1 1691 C CG2 . THR B 2 ? 0.2407 0.2180 0.2747 -0.0390 -0.0492 -0.0118 2 THR B CG2 1692 N N . ASP B 3 ? 0.1633 0.1340 0.1746 -0.0439 0.0052 -0.0329 3 ASP B N 1693 C CA . ASP B 3 ? 0.1698 0.1139 0.1677 -0.0394 0.0163 -0.0413 3 ASP B CA 1694 C C . ASP B 3 ? 0.1537 0.1000 0.1336 -0.0227 0.0155 -0.0408 3 ASP B C 1695 O O . ASP B 3 ? 0.1744 0.1270 0.1358 -0.0374 0.0019 -0.0549 3 ASP B O 1696 C CB . ASP B 3 ? 0.2013 0.1017 0.1921 -0.0531 0.0262 -0.0394 3 ASP B CB 1697 C CG . ASP B 3 ? 0.2294 0.0952 0.2184 -0.0623 0.0290 -0.0186 3 ASP B CG 1698 O OD1 . ASP B 3 ? 0.2244 0.1050 0.1936 -0.0558 0.0356 0.0082 3 ASP B OD1 1699 O OD2 . ASP B 3 ? 0.2562 0.1304 0.2662 -0.0572 0.0217 -0.0213 3 ASP B OD2 1700 N N . LEU B 4 ? 0.1317 0.0966 0.1131 -0.0117 0.0129 -0.0135 4 LEU B N 1701 C CA . LEU B 4 ? 0.1365 0.0948 0.1041 -0.0187 0.0164 -0.0037 4 LEU B CA 1702 C C . LEU B 4 ? 0.1371 0.1060 0.0979 -0.0194 0.0227 -0.0104 4 LEU B C 1703 O O . LEU B 4 ? 0.1253 0.0892 0.0909 -0.0157 0.0322 -0.0078 4 LEU B O 1704 C CB . LEU B 4 ? 0.1418 0.0792 0.1003 -0.0034 0.0081 -0.0144 4 LEU B CB 1705 C CG . LEU B 4 ? 0.1600 0.0879 0.1054 -0.0108 -0.0063 -0.0474 4 LEU B CG 1706 C CD1 . LEU B 4 ? 0.1693 0.1073 0.1404 0.0041 -0.0145 -0.0524 4 LEU B CD1 1707 C CD2 . LEU B 4 ? 0.1830 0.1193 0.1050 -0.0068 0.0056 -0.0326 4 LEU B CD2 1708 N N . SER B 5 ? 0.1417 0.1061 0.1169 -0.0314 0.0189 -0.0027 5 SER B N 1709 C CA . SER B 5 ? 0.1600 0.0914 0.1490 -0.0168 0.0389 0.0073 5 SER B CA 1710 C C . SER B 5 ? 0.1491 0.0933 0.1483 -0.0158 0.0405 0.0124 5 SER B C 1711 O O . SER B 5 ? 0.1595 0.1024 0.1631 -0.0137 0.0315 0.0086 5 SER B O 1712 C CB . SER B 5 ? 0.1855 0.1162 0.1860 -0.0080 0.0612 0.0299 5 SER B CB 1713 O OG . SER B 5 ? 0.2147 0.1515 0.2114 -0.0050 0.0664 0.0500 5 SER B OG 1714 N N . GLY B 6 ? 0.1374 0.0718 0.1364 -0.0088 0.0446 0.0351 6 GLY B N 1715 C CA . GLY B 6 ? 0.1363 0.0709 0.1254 -0.0249 0.0456 0.0198 6 GLY B CA 1716 C C . GLY B 6 ? 0.1422 0.0616 0.1059 -0.0136 0.0346 0.0062 6 GLY B C 1717 O O . GLY B 6 ? 0.1472 0.0869 0.1205 -0.0010 0.0370 -0.0048 6 GLY B O 1718 N N . LYS B 7 ? 0.1445 0.0683 0.0878 -0.0134 0.0436 -0.0020 7 LYS B N 1719 C CA . LYS B 7 ? 0.1440 0.0813 0.0983 -0.0190 0.0207 -0.0099 7 LYS B CA 1720 C C . LYS B 7 ? 0.1375 0.0702 0.0731 -0.0129 0.0236 -0.0006 7 LYS B C 1721 O O . LYS B 7 ? 0.1562 0.0885 0.0707 -0.0268 0.0326 0.0173 7 LYS B O 1722 C CB . LYS B 7 ? 0.1597 0.1072 0.1252 -0.0270 -0.0087 -0.0063 7 LYS B CB 1723 C CG . LYS B 7 ? 0.1901 0.1453 0.1529 -0.0545 -0.0367 -0.0091 7 LYS B CG 1724 C CD . LYS B 7 ? 0.2320 0.1929 0.1765 -0.0679 -0.0327 -0.0259 7 LYS B CD 1725 C CE . LYS B 7 ? 0.2630 0.2413 0.1946 -0.0619 -0.0397 -0.0358 7 LYS B CE 1726 N NZ . LYS B 7 ? 0.2956 0.2904 0.2212 -0.0420 -0.0242 -0.0226 7 LYS B NZ 1727 N N . VAL B 8 ? 0.1267 0.0536 0.0589 -0.0133 0.0059 -0.0073 8 VAL B N 1728 C CA . VAL B 8 ? 0.1064 0.0587 0.0666 -0.0106 0.0198 -0.0034 8 VAL B CA 1729 C C . VAL B 8 ? 0.0907 0.0672 0.0578 -0.0131 0.0013 -0.0164 8 VAL B C 1730 O O . VAL B 8 ? 0.1093 0.0680 0.0584 -0.0017 0.0033 -0.0280 8 VAL B O 1731 C CB . VAL B 8 ? 0.1146 0.1158 0.0797 0.0150 0.0333 0.0154 8 VAL B CB 1732 C CG1 . VAL B 8 ? 0.1231 0.1625 0.1000 0.0382 0.0426 0.0211 8 VAL B CG1 1733 C CG2 . VAL B 8 ? 0.1219 0.1237 0.0810 0.0114 0.0312 -0.0081 8 VAL B CG2 1734 N N . PHE B 9 ? 0.0962 0.0654 0.0401 0.0020 0.0102 -0.0160 9 PHE B N 1735 C CA . PHE B 9 ? 0.0842 0.0547 0.0334 0.0105 -0.0118 -0.0119 9 PHE B CA 1736 C C . PHE B 9 ? 0.0860 0.0751 0.0310 0.0006 -0.0183 -0.0078 9 PHE B C 1737 O O . PHE B 9 ? 0.0878 0.1016 0.0318 0.0018 -0.0013 0.0003 9 PHE B O 1738 C CB . PHE B 9 ? 0.0836 0.0688 0.0624 0.0073 0.0072 -0.0150 9 PHE B CB 1739 C CG . PHE B 9 ? 0.0863 0.0628 0.0812 0.0114 0.0021 -0.0098 9 PHE B CG 1740 C CD1 . PHE B 9 ? 0.0910 0.1009 0.1022 0.0181 0.0044 -0.0217 9 PHE B CD1 1741 C CD2 . PHE B 9 ? 0.0919 0.0833 0.0910 0.0171 0.0258 -0.0013 9 PHE B CD2 1742 C CE1 . PHE B 9 ? 0.0904 0.1160 0.1113 0.0204 0.0011 -0.0236 9 PHE B CE1 1743 C CE2 . PHE B 9 ? 0.0958 0.1113 0.1116 0.0180 0.0332 0.0100 9 PHE B CE2 1744 C CZ . PHE B 9 ? 0.0848 0.1122 0.1189 0.0063 0.0232 -0.0023 9 PHE B CZ 1745 N N . VAL B 10 ? 0.0791 0.0696 0.0259 -0.0060 -0.0123 -0.0053 10 VAL B N 1746 C CA . VAL B 10 ? 0.0892 0.0704 0.0292 0.0143 0.0119 -0.0038 10 VAL B CA 1747 C C . VAL B 10 ? 0.0774 0.0696 0.0385 0.0165 0.0104 -0.0006 10 VAL B C 1748 O O . VAL B 10 ? 0.0800 0.0633 0.0523 0.0114 -0.0015 -0.0002 10 VAL B O 1749 C CB . VAL B 10 ? 0.1061 0.0896 0.0416 0.0252 0.0183 -0.0044 10 VAL B CB 1750 C CG1 . VAL B 10 ? 0.1150 0.1014 0.0450 0.0233 0.0260 0.0086 10 VAL B CG1 1751 C CG2 . VAL B 10 ? 0.1132 0.1006 0.0679 0.0421 0.0178 -0.0207 10 VAL B CG2 1752 N N . PHE B 11 ? 0.0790 0.0720 0.0375 0.0104 0.0160 -0.0081 11 PHE B N 1753 C CA . PHE B 11 ? 0.0704 0.0715 0.0379 0.0207 0.0153 -0.0110 11 PHE B CA 1754 C C . PHE B 11 ? 0.0847 0.0661 0.0408 -0.0032 0.0110 -0.0044 11 PHE B C 1755 O O . PHE B 11 ? 0.0898 0.0782 0.0349 -0.0059 0.0045 0.0070 11 PHE B O 1756 C CB . PHE B 11 ? 0.0746 0.0654 0.0499 0.0166 0.0202 -0.0193 11 PHE B CB 1757 C CG . PHE B 11 ? 0.0827 0.0888 0.0482 0.0075 0.0233 -0.0238 11 PHE B CG 1758 C CD1 . PHE B 11 ? 0.0961 0.1083 0.0461 0.0018 0.0146 -0.0207 11 PHE B CD1 1759 C CD2 . PHE B 11 ? 0.1015 0.0867 0.0625 0.0018 0.0254 -0.0277 11 PHE B CD2 1760 C CE1 . PHE B 11 ? 0.1065 0.1110 0.0466 -0.0092 0.0059 -0.0185 11 PHE B CE1 1761 C CE2 . PHE B 11 ? 0.0944 0.0823 0.0490 0.0017 0.0233 -0.0234 11 PHE B CE2 1762 C CZ . PHE B 11 ? 0.1036 0.1251 0.0455 -0.0170 0.0199 -0.0199 11 PHE B CZ 1763 N N . PRO B 12 ? 0.0865 0.0890 0.0410 0.0112 0.0021 0.0054 12 PRO B N 1764 C CA . PRO B 12 ? 0.0918 0.0739 0.0416 -0.0001 0.0101 0.0063 12 PRO B CA 1765 C C . PRO B 12 ? 0.0972 0.0760 0.0462 -0.0010 0.0263 0.0061 12 PRO B C 1766 O O . PRO B 12 ? 0.0920 0.1019 0.0573 -0.0122 0.0383 -0.0051 12 PRO B O 1767 C CB . PRO B 12 ? 0.1126 0.1071 0.0518 -0.0064 0.0093 0.0133 12 PRO B CB 1768 C CG . PRO B 12 ? 0.1088 0.1314 0.0466 -0.0066 -0.0195 0.0226 12 PRO B CG 1769 C CD . PRO B 12 ? 0.0879 0.1153 0.0460 0.0112 -0.0034 0.0130 12 PRO B CD 1770 N N . ARG B 13 ? 0.1125 0.0695 0.0565 0.0123 0.0264 -0.0101 13 ARG B N 1771 C CA . ARG B 13 ? 0.1597 0.0664 0.0942 0.0102 0.0517 0.0009 13 ARG B CA 1772 C C . ARG B 13 ? 0.1545 0.0589 0.1124 0.0099 0.0622 0.0057 13 ARG B C 1773 O O . ARG B 13 ? 0.1614 0.1039 0.1426 -0.0172 0.0811 -0.0199 13 ARG B O 1774 C CB . ARG B 13 ? 0.2121 0.1045 0.1415 0.0058 0.0673 0.0357 13 ARG B CB 1775 C CG . ARG B 13 ? 0.2565 0.1908 0.1944 -0.0116 0.0460 0.0649 13 ARG B CG 1776 C CD . ARG B 13 ? 0.2772 0.2254 0.2247 -0.0108 0.0538 0.0796 13 ARG B CD 1777 N NE . ARG B 13 ? 0.2856 0.2582 0.2318 -0.0024 0.0663 0.0806 13 ARG B NE 1778 C CZ . ARG B 13 ? 0.3217 0.3345 0.2668 -0.0131 0.0807 0.0840 13 ARG B CZ 1779 N NH1 . ARG B 13 ? 0.3503 0.3705 0.2793 -0.0166 0.0775 0.0836 13 ARG B NH1 1780 N NH2 . ARG B 13 ? 0.3248 0.3639 0.2794 -0.0029 0.0763 0.0869 13 ARG B NH2 1781 N N . GLU B 14 ? 0.1390 0.0586 0.1151 0.0243 0.0328 0.0135 14 GLU B N 1782 C CA . GLU B 14 ? 0.1559 0.1007 0.1290 0.0182 0.0242 0.0091 14 GLU B CA 1783 C C . GLU B 14 ? 0.1523 0.0833 0.0903 0.0306 0.0210 0.0155 14 GLU B C 1784 O O . GLU B 14 ? 0.1690 0.1081 0.1005 0.0535 0.0325 0.0208 14 GLU B O 1785 C CB . GLU B 14 ? 0.2064 0.1962 0.1934 0.0003 0.0087 0.0060 14 GLU B CB 1786 C CG . GLU B 14 ? 0.2479 0.2660 0.2413 -0.0214 0.0228 0.0313 14 GLU B CG 1787 C CD . GLU B 14 ? 0.2760 0.3141 0.2764 -0.0776 0.0465 0.0584 14 GLU B CD 1788 O OE1 . GLU B 14 ? 0.2683 0.3344 0.2653 -0.1300 0.0667 0.0521 14 GLU B OE1 1789 O OE2 . GLU B 14 ? 0.3231 0.3707 0.3211 -0.0706 0.0427 0.0629 14 GLU B OE2 1790 N N . SER B 15 ? 0.1378 0.0625 0.0671 0.0256 -0.0003 0.0228 15 SER B N 1791 C CA . SER B 15 ? 0.1424 0.0702 0.0553 0.0134 0.0081 0.0037 15 SER B CA 1792 C C . SER B 15 ? 0.1364 0.0838 0.0512 0.0013 0.0069 -0.0008 15 SER B C 1793 O O . SER B 15 ? 0.1289 0.0796 0.0597 0.0015 0.0059 0.0201 15 SER B O 1794 C CB . SER B 15 ? 0.1633 0.0767 0.0457 0.0046 0.0178 0.0024 15 SER B CB 1795 O OG . SER B 15 ? 0.1689 0.1093 0.0565 -0.0050 0.0212 -0.0119 15 SER B OG 1796 N N . VAL B 16 ? 0.1393 0.0798 0.0474 0.0156 0.0147 0.0190 16 VAL B N 1797 C CA . VAL B 16 ? 0.1478 0.0797 0.0489 0.0343 0.0173 0.0146 16 VAL B CA 1798 C C . VAL B 16 ? 0.1576 0.1269 0.0797 0.0175 0.0189 0.0017 16 VAL B C 1799 O O . VAL B 16 ? 0.1824 0.2183 0.0940 -0.0180 0.0439 -0.0277 16 VAL B O 1800 C CB . VAL B 16 ? 0.1965 0.1301 0.0633 0.0450 0.0196 0.0083 16 VAL B CB 1801 C CG1 . VAL B 16 ? 0.2090 0.1500 0.0649 0.0381 0.0281 0.0079 16 VAL B CG1 1802 C CG2 . VAL B 16 ? 0.2211 0.1602 0.0707 0.0309 0.0075 0.0213 16 VAL B CG2 1803 N N . THR B 17 ? 0.1541 0.0851 0.1027 0.0168 0.0081 0.0220 17 THR B N 1804 C CA . THR B 17 ? 0.1775 0.0916 0.1285 0.0074 -0.0092 0.0434 17 THR B CA 1805 C C . THR B 17 ? 0.1654 0.0790 0.0990 -0.0018 0.0054 0.0407 17 THR B C 1806 O O . THR B 17 ? 0.1861 0.1090 0.1362 -0.0175 0.0235 0.0264 17 THR B O 1807 C CB . THR B 17 ? 0.2353 0.1490 0.1798 0.0107 -0.0421 0.0487 17 THR B CB 1808 O OG1 . THR B 17 ? 0.2694 0.2054 0.2079 -0.0006 -0.0324 0.0378 17 THR B OG1 1809 C CG2 . THR B 17 ? 0.2643 0.1607 0.1960 0.0174 -0.0375 0.0518 17 THR B CG2 1810 N N . ASP B 18 ? 0.1532 0.0636 0.0634 0.0046 0.0122 0.0229 18 ASP B N 1811 C CA . ASP B 18 ? 0.1484 0.0772 0.0681 -0.0273 0.0204 0.0076 18 ASP B CA 1812 C C . ASP B 18 ? 0.1206 0.0593 0.0482 -0.0164 0.0126 0.0154 18 ASP B C 1813 O O . ASP B 18 ? 0.1222 0.0695 0.0442 -0.0061 0.0235 0.0080 18 ASP B O 1814 C CB . ASP B 18 ? 0.1701 0.1036 0.0698 -0.0198 0.0307 -0.0125 18 ASP B CB 1815 C CG . ASP B 18 ? 0.1945 0.1402 0.0847 -0.0056 0.0237 -0.0049 18 ASP B CG 1816 O OD1 . ASP B 18 ? 0.2121 0.1403 0.0996 0.0168 0.0147 0.0011 18 ASP B OD1 1817 O OD2 . ASP B 18 ? 0.2102 0.1923 0.0811 -0.0357 0.0105 -0.0009 18 ASP B OD2 1818 N N . HIS B 19 ? 0.1175 0.0544 0.0418 -0.0104 0.0038 0.0099 19 HIS B N 1819 C CA . HIS B 19 ? 0.0995 0.0523 0.0476 -0.0033 0.0242 -0.0025 19 HIS B CA 1820 C C . HIS B 19 ? 0.0924 0.0693 0.0433 -0.0022 0.0116 -0.0082 19 HIS B C 1821 O O . HIS B 19 ? 0.0990 0.0888 0.0493 -0.0065 0.0047 -0.0035 19 HIS B O 1822 C CB . HIS B 19 ? 0.1118 0.0708 0.0573 0.0011 0.0167 0.0026 19 HIS B CB 1823 C CG . HIS B 19 ? 0.1094 0.0942 0.0789 0.0130 0.0073 -0.0121 19 HIS B CG 1824 N ND1 . HIS B 19 ? 0.1116 0.1201 0.1042 0.0376 -0.0003 -0.0225 19 HIS B ND1 1825 C CD2 . HIS B 19 ? 0.1292 0.1245 0.0878 0.0338 0.0132 -0.0248 19 HIS B CD2 1826 C CE1 . HIS B 19 ? 0.1202 0.1423 0.1056 0.0387 -0.0090 -0.0315 19 HIS B CE1 1827 N NE2 . HIS B 19 ? 0.1431 0.1765 0.1188 0.0353 0.0031 -0.0528 19 HIS B NE2 1828 N N . VAL B 20 ? 0.0806 0.0607 0.0481 0.0066 0.0141 0.0016 20 VAL B N 1829 C CA . VAL B 20 ? 0.0873 0.0573 0.0559 0.0116 0.0189 0.0046 20 VAL B CA 1830 C C . VAL B 20 ? 0.0742 0.0802 0.0414 -0.0032 0.0145 -0.0073 20 VAL B C 1831 O O . VAL B 20 ? 0.0747 0.1023 0.0483 -0.0076 0.0156 -0.0030 20 VAL B O 1832 C CB . VAL B 20 ? 0.1023 0.0574 0.0861 0.0009 0.0230 -0.0014 20 VAL B CB 1833 C CG1 . VAL B 20 ? 0.1129 0.0689 0.1091 -0.0029 0.0323 -0.0004 20 VAL B CG1 1834 C CG2 . VAL B 20 ? 0.1054 0.0721 0.0838 -0.0135 0.0195 -0.0030 20 VAL B CG2 1835 N N . ASN B 21 ? 0.0826 0.0817 0.0443 -0.0025 0.0154 -0.0117 21 ASN B N 1836 C CA . ASN B 21 ? 0.0809 0.0861 0.0683 -0.0085 0.0089 -0.0040 21 ASN B CA 1837 C C . ASN B 21 ? 0.0813 0.0749 0.0588 -0.0264 0.0072 -0.0091 21 ASN B C 1838 O O . ASN B 21 ? 0.1095 0.1101 0.0716 -0.0486 0.0012 -0.0027 21 ASN B O 1839 C CB . ASN B 21 ? 0.1146 0.1389 0.1152 0.0206 0.0009 -0.0099 21 ASN B CB 1840 C CG . ASN B 21 ? 0.1775 0.2465 0.1709 0.0156 -0.0166 -0.0179 21 ASN B CG 1841 O OD1 . ASN B 21 ? 0.2107 0.2663 0.2006 -0.0125 -0.0077 -0.0262 21 ASN B OD1 1842 N ND2 . ASN B 21 ? 0.2103 0.2975 0.1992 0.0422 -0.0214 -0.0053 21 ASN B ND2 1843 N N . LEU B 22 ? 0.0972 0.0875 0.0532 -0.0276 0.0262 -0.0041 22 LEU B N 1844 C CA . LEU B 22 ? 0.1125 0.0941 0.0694 -0.0139 0.0295 -0.0135 22 LEU B CA 1845 C C . LEU B 22 ? 0.1136 0.1135 0.0765 -0.0331 0.0232 -0.0145 22 LEU B C 1846 O O . LEU B 22 ? 0.1288 0.1473 0.0822 -0.0363 0.0372 -0.0474 22 LEU B O 1847 C CB . LEU B 22 ? 0.1197 0.0858 0.0816 -0.0006 0.0320 -0.0016 22 LEU B CB 1848 C CG . LEU B 22 ? 0.1290 0.0873 0.1046 0.0078 0.0474 -0.0042 22 LEU B CG 1849 C CD1 . LEU B 22 ? 0.1333 0.0894 0.1182 0.0095 0.0512 0.0214 22 LEU B CD1 1850 C CD2 . LEU B 22 ? 0.1524 0.0786 0.1369 0.0055 0.0596 -0.0293 22 LEU B CD2 1851 N N . ILE B 23 ? 0.1069 0.1149 0.0897 -0.0316 0.0309 0.0091 23 ILE B N 1852 C CA . ILE B 23 ? 0.1058 0.1283 0.1192 -0.0043 0.0260 0.0241 23 ILE B CA 1853 C C . ILE B 23 ? 0.1238 0.1344 0.1241 -0.0103 0.0411 0.0255 23 ILE B C 1854 O O . ILE B 23 ? 0.1669 0.1203 0.1236 0.0085 0.0436 0.0306 23 ILE B O 1855 C CB . ILE B 23 ? 0.1277 0.1942 0.1604 -0.0064 0.0156 0.0651 23 ILE B CB 1856 C CG1 . ILE B 23 ? 0.1616 0.2262 0.1889 0.0024 -0.0067 0.0929 23 ILE B CG1 1857 C CG2 . ILE B 23 ? 0.1329 0.2320 0.1768 0.0196 0.0177 0.0630 23 ILE B CG2 1858 C CD1 . ILE B 23 ? 0.2002 0.2594 0.2179 -0.0071 -0.0079 0.0931 23 ILE B CD1 1859 N N . THR B 24 ? 0.1391 0.1618 0.1280 -0.0259 0.0551 0.0363 24 THR B N 1860 C CA . THR B 24 ? 0.1466 0.1970 0.1358 0.0000 0.0574 0.0477 24 THR B CA 1861 C C . THR B 24 ? 0.1533 0.2467 0.1475 -0.0206 0.0554 0.0620 24 THR B C 1862 O O . THR B 24 ? 0.1317 0.2710 0.1708 -0.0067 0.0599 0.0643 24 THR B O 1863 C CB . THR B 24 ? 0.1634 0.2049 0.1462 0.0325 0.0497 0.0415 24 THR B CB 1864 O OG1 . THR B 24 ? 0.1518 0.2080 0.1317 0.0551 0.0479 0.0383 24 THR B OG1 1865 C CG2 . THR B 24 ? 0.1909 0.2158 0.1710 0.0313 0.0361 0.0350 24 THR B CG2 1866 N N . PRO B 25 ? 0.1803 0.2902 0.1550 -0.0446 0.0424 0.0789 25 PRO B N 1867 C CA . PRO B 25 ? 0.1839 0.3161 0.1651 -0.0651 0.0318 0.0816 25 PRO B CA 1868 C C . PRO B 25 ? 0.1643 0.3430 0.1689 -0.0311 0.0354 0.0937 25 PRO B C 1869 O O . PRO B 25 ? 0.1449 0.3183 0.1708 -0.0333 0.0212 0.1025 25 PRO B O 1870 C CB . PRO B 25 ? 0.1942 0.3240 0.1793 -0.0962 0.0170 0.0663 25 PRO B CB 1871 C CG . PRO B 25 ? 0.1964 0.3146 0.1814 -0.0816 0.0223 0.0838 25 PRO B CG 1872 C CD . PRO B 25 ? 0.2047 0.3092 0.1723 -0.0636 0.0373 0.0891 25 PRO B CD 1873 N N . LEU B 26 ? 0.1686 0.3893 0.1869 -0.0138 0.0508 0.0904 26 LEU B N 1874 C CA . LEU B 26 ? 0.1740 0.4305 0.2298 -0.0056 0.0461 0.0930 26 LEU B CA 1875 C C . LEU B 26 ? 0.1714 0.4227 0.2598 -0.0415 0.0428 0.0793 26 LEU B C 1876 O O . LEU B 26 ? 0.2077 0.4446 0.2827 -0.0472 0.0759 0.1107 26 LEU B O 1877 C CB . LEU B 26 ? 0.2061 0.4748 0.2605 0.0171 0.0450 0.0946 26 LEU B CB 1878 C CG . LEU B 26 ? 0.2310 0.4938 0.2918 0.0037 0.0489 0.1028 26 LEU B CG 1879 C CD1 . LEU B 26 ? 0.2405 0.5009 0.3052 0.0108 0.0381 0.1082 26 LEU B CD1 1880 C CD2 . LEU B 26 ? 0.2454 0.4878 0.3040 -0.0065 0.0769 0.1014 26 LEU B CD2 1881 N N . GLU B 27 ? 0.1358 0.3667 0.2649 -0.0253 0.0049 0.0388 27 GLU B N 1882 C CA . GLU B 27 ? 0.1484 0.3435 0.2742 -0.0852 0.0169 0.0333 27 GLU B CA 1883 C C . GLU B 27 ? 0.1428 0.3568 0.2576 -0.0829 0.0389 0.0114 27 GLU B C 1884 O O . GLU B 27 ? 0.1531 0.4193 0.2738 -0.0859 0.0440 0.0171 27 GLU B O 1885 C CB . GLU B 27 ? 0.1786 0.3209 0.2947 -0.0886 0.0256 0.0477 27 GLU B CB 1886 C CG . GLU B 27 ? 0.1982 0.3144 0.3130 -0.1014 0.0131 0.0479 27 GLU B CG 1887 C CD . GLU B 27 ? 0.2122 0.2938 0.3258 -0.1035 0.0097 0.0508 27 GLU B CD 1888 O OE1 . GLU B 27 ? 0.2153 0.2441 0.3224 -0.1230 -0.0030 0.0612 27 GLU B OE1 1889 O OE2 . GLU B 27 ? 0.2233 0.3070 0.3285 -0.0761 0.0150 0.0317 27 GLU B OE2 1890 N N . LYS B 28 ? 0.1317 0.2928 0.2286 -0.0815 0.0490 -0.0063 28 LYS B N 1891 C CA . LYS B 28 ? 0.1390 0.2707 0.2200 -0.0771 0.0491 0.0039 28 LYS B CA 1892 C C . LYS B 28 ? 0.1065 0.2160 0.1827 -0.0465 0.0543 -0.0027 28 LYS B C 1893 O O . LYS B 28 ? 0.1038 0.1942 0.1599 -0.0148 0.0562 -0.0030 28 LYS B O 1894 C CB . LYS B 28 ? 0.1827 0.3205 0.2617 -0.0891 0.0414 0.0158 28 LYS B CB 1895 C CG . LYS B 28 ? 0.2434 0.3570 0.3077 -0.0867 0.0325 0.0284 28 LYS B CG 1896 C CD . LYS B 28 ? 0.2789 0.3891 0.3473 -0.0817 0.0410 0.0367 28 LYS B CD 1897 C CE . LYS B 28 ? 0.3013 0.4190 0.3819 -0.0791 0.0515 0.0516 28 LYS B CE 1898 N NZ . LYS B 28 ? 0.3234 0.4385 0.4036 -0.0732 0.0622 0.0634 28 LYS B NZ 1899 N N . PRO B 29 ? 0.0974 0.2062 0.1687 -0.0233 0.0569 -0.0105 29 PRO B N 1900 C CA . PRO B 29 ? 0.1056 0.1986 0.1707 -0.0114 0.0516 -0.0017 29 PRO B CA 1901 C C . PRO B 29 ? 0.1044 0.1623 0.1740 -0.0090 0.0411 0.0124 29 PRO B C 1902 O O . PRO B 29 ? 0.1133 0.1885 0.2021 -0.0217 0.0287 0.0108 29 PRO B O 1903 C CB . PRO B 29 ? 0.1284 0.2349 0.1873 -0.0126 0.0504 -0.0235 29 PRO B CB 1904 C CG . PRO B 29 ? 0.1329 0.2567 0.1916 -0.0183 0.0462 -0.0330 29 PRO B CG 1905 C CD . PRO B 29 ? 0.1192 0.2360 0.1800 -0.0124 0.0579 -0.0294 29 PRO B CD 1906 N N . LEU B 30 ? 0.0859 0.1346 0.1485 0.0008 -0.0015 0.0129 30 LEU B N 1907 C CA . LEU B 30 ? 0.1029 0.1459 0.1407 0.0047 -0.0047 -0.0017 30 LEU B CA 1908 C C . LEU B 30 ? 0.1084 0.1481 0.1191 0.0003 0.0001 0.0008 30 LEU B C 1909 O O . LEU B 30 ? 0.1250 0.1518 0.1097 -0.0145 0.0032 -0.0025 30 LEU B O 1910 C CB . LEU B 30 ? 0.1297 0.1753 0.1561 0.0203 -0.0046 -0.0120 30 LEU B CB 1911 C CG . LEU B 30 ? 0.1681 0.2181 0.1658 0.0487 -0.0015 -0.0224 30 LEU B CG 1912 C CD1 . LEU B 30 ? 0.1903 0.2186 0.1734 0.0600 0.0152 -0.0175 30 LEU B CD1 1913 C CD2 . LEU B 30 ? 0.1777 0.2692 0.1679 0.0256 -0.0184 -0.0589 30 LEU B CD2 1914 N N . GLN B 31 ? 0.1170 0.1811 0.1268 0.0238 -0.0065 0.0097 31 GLN B N 1915 C CA . GLN B 31 ? 0.1368 0.2297 0.1324 0.0308 0.0064 0.0044 31 GLN B CA 1916 C C . GLN B 31 ? 0.1143 0.1875 0.1070 0.0257 0.0066 -0.0051 31 GLN B C 1917 O O . GLN B 31 ? 0.1216 0.2199 0.1325 0.0298 -0.0054 -0.0398 31 GLN B O 1918 C CB . GLN B 31 ? 0.2079 0.3269 0.1787 0.0473 0.0332 0.0108 31 GLN B CB 1919 C CG . GLN B 31 ? 0.2637 0.4272 0.2410 0.0305 0.0542 0.0132 31 GLN B CG 1920 C CD . GLN B 31 ? 0.2921 0.4970 0.2749 0.0118 0.0783 0.0292 31 GLN B CD 1921 O OE1 . GLN B 31 ? 0.2994 0.5247 0.2972 0.0118 0.1099 0.0296 31 GLN B OE1 1922 N NE2 . GLN B 31 ? 0.2998 0.5166 0.2666 0.0003 0.0788 0.0399 31 GLN B NE2 1923 N N . ASN B 32 ? 0.0911 0.1619 0.0843 0.0000 0.0192 0.0070 32 ASN B N 1924 C CA . ASN B 32 ? 0.0950 0.1519 0.0771 -0.0027 0.0232 0.0179 32 ASN B CA 1925 C C . ASN B 32 ? 0.0694 0.1558 0.0612 -0.0237 0.0201 0.0035 32 ASN B C 1926 O O . ASN B 32 ? 0.0740 0.1794 0.0745 -0.0260 0.0240 -0.0021 32 ASN B O 1927 C CB . ASN B 32 ? 0.1556 0.1651 0.1054 0.0268 0.0301 0.0490 32 ASN B CB 1928 C CG . ASN B 32 ? 0.2478 0.2185 0.1496 0.0210 0.0377 0.0626 32 ASN B CG 1929 O OD1 . ASN B 32 ? 0.2426 0.2131 0.1254 0.0221 0.0315 0.0684 32 ASN B OD1 1930 N ND2 . ASN B 32 ? 0.3472 0.2964 0.2176 -0.0010 0.0447 0.0999 32 ASN B ND2 1931 N N . PHE B 33 ? 0.0739 0.1272 0.0484 -0.0110 0.0177 -0.0160 33 PHE B N 1932 C CA . PHE B 33 ? 0.0839 0.1007 0.0486 -0.0090 0.0180 -0.0046 33 PHE B CA 1933 C C . PHE B 33 ? 0.0755 0.0949 0.0439 0.0006 0.0039 0.0065 33 PHE B C 1934 O O . PHE B 33 ? 0.0802 0.0940 0.0370 0.0042 0.0211 0.0127 33 PHE B O 1935 C CB . PHE B 33 ? 0.0921 0.1091 0.0619 0.0085 0.0131 0.0220 33 PHE B CB 1936 C CG . PHE B 33 ? 0.0945 0.0996 0.0623 0.0090 0.0283 0.0258 33 PHE B CG 1937 C CD1 . PHE B 33 ? 0.1128 0.1015 0.0725 0.0049 0.0354 0.0206 33 PHE B CD1 1938 C CD2 . PHE B 33 ? 0.1102 0.1187 0.0715 0.0007 0.0208 0.0360 33 PHE B CD2 1939 C CE1 . PHE B 33 ? 0.1143 0.1073 0.0740 -0.0039 0.0303 0.0246 33 PHE B CE1 1940 C CE2 . PHE B 33 ? 0.1094 0.1084 0.0680 -0.0066 0.0085 0.0364 33 PHE B CE2 1941 C CZ . PHE B 33 ? 0.1133 0.1146 0.0765 -0.0119 0.0155 0.0304 33 PHE B CZ 1942 N N . THR B 34 ? 0.0676 0.0710 0.0539 -0.0010 0.0240 0.0061 34 THR B N 1943 C CA . THR B 34 ? 0.0813 0.0814 0.0461 -0.0094 0.0255 -0.0007 34 THR B CA 1944 C C . THR B 34 ? 0.0755 0.0848 0.0461 -0.0286 0.0224 0.0008 34 THR B C 1945 O O . THR B 34 ? 0.0850 0.1091 0.0582 -0.0448 0.0198 -0.0001 34 THR B O 1946 C CB . THR B 34 ? 0.1006 0.0933 0.0461 0.0019 0.0307 0.0124 34 THR B CB 1947 O OG1 . THR B 34 ? 0.1078 0.1087 0.0488 0.0268 0.0212 0.0247 34 THR B OG1 1948 C CG2 . THR B 34 ? 0.1011 0.1044 0.0584 0.0094 0.0249 0.0037 34 THR B CG2 1949 N N . LEU B 35 ? 0.0576 0.0792 0.0368 -0.0101 0.0179 0.0119 35 LEU B N 1950 C CA . LEU B 35 ? 0.0649 0.0626 0.0481 -0.0059 0.0233 0.0086 35 LEU B CA 1951 C C . LEU B 35 ? 0.0666 0.0918 0.0419 0.0086 0.0257 0.0009 35 LEU B C 1952 O O . LEU B 35 ? 0.0759 0.1188 0.0501 0.0061 0.0279 -0.0064 35 LEU B O 1953 C CB . LEU B 35 ? 0.0920 0.0668 0.0844 -0.0073 0.0018 0.0262 35 LEU B CB 1954 C CG . LEU B 35 ? 0.1011 0.0746 0.1088 -0.0240 0.0098 0.0259 35 LEU B CG 1955 C CD1 . LEU B 35 ? 0.1133 0.0812 0.1069 -0.0389 0.0061 0.0111 35 LEU B CD1 1956 C CD2 . LEU B 35 ? 0.1185 0.0909 0.1188 -0.0099 -0.0048 0.0394 35 LEU B CD2 1957 N N A CYS B 36 ? 0.0513 0.0741 0.0281 -0.0063 0.0114 0.0106 36 CYS B N 1958 N N B CYS B 36 ? 0.0625 0.0985 0.0456 -0.0052 0.0186 0.0036 36 CYS B N 1959 C CA A CYS B 36 ? 0.0758 0.0813 0.0432 -0.0018 0.0119 0.0053 36 CYS B CA 1960 C CA B CYS B 36 ? 0.0700 0.1121 0.0600 -0.0139 0.0161 0.0003 36 CYS B CA 1961 C C A CYS B 36 ? 0.0530 0.0682 0.0467 0.0093 0.0156 0.0013 36 CYS B C 1962 C C B CYS B 36 ? 0.0591 0.1011 0.0554 -0.0115 0.0186 -0.0048 36 CYS B C 1963 O O A CYS B 36 ? 0.0531 0.0819 0.0618 0.0031 0.0218 0.0059 36 CYS B O 1964 O O B CYS B 36 ? 0.0583 0.1183 0.0628 -0.0252 0.0240 -0.0104 36 CYS B O 1965 C CB A CYS B 36 ? 0.1159 0.0998 0.0560 0.0164 0.0119 0.0071 36 CYS B CB 1966 C CB B CYS B 36 ? 0.0908 0.1320 0.0798 -0.0052 0.0141 0.0019 36 CYS B CB 1967 S SG A CYS B 36 ? 0.1647 0.1305 0.0798 0.0113 0.0073 0.0318 36 CYS B SG 1968 S SG B CYS B 36 ? 0.1164 0.1348 0.1044 -0.0100 0.0206 0.0139 36 CYS B SG 1969 N N . PHE B 37 ? 0.0587 0.0859 0.0469 -0.0079 0.0158 -0.0001 37 PHE B N 1970 C CA . PHE B 37 ? 0.0738 0.0767 0.0404 -0.0103 0.0078 -0.0051 37 PHE B CA 1971 C C . PHE B 37 ? 0.0738 0.0821 0.0382 0.0028 0.0101 0.0054 37 PHE B C 1972 O O . PHE B 37 ? 0.0843 0.0984 0.0407 0.0031 0.0071 -0.0150 37 PHE B O 1973 C CB . PHE B 37 ? 0.0763 0.0571 0.0513 -0.0104 0.0168 -0.0001 37 PHE B CB 1974 C CG . PHE B 37 ? 0.0985 0.0592 0.0584 -0.0076 0.0206 0.0142 37 PHE B CG 1975 C CD1 . PHE B 37 ? 0.1276 0.0796 0.0758 -0.0208 0.0234 0.0050 37 PHE B CD1 1976 C CD2 . PHE B 37 ? 0.1361 0.0735 0.0755 -0.0040 0.0217 0.0222 37 PHE B CD2 1977 C CE1 . PHE B 37 ? 0.1416 0.0920 0.0807 -0.0273 0.0189 0.0103 37 PHE B CE1 1978 C CE2 . PHE B 37 ? 0.1382 0.0995 0.0855 -0.0170 0.0206 0.0114 37 PHE B CE2 1979 C CZ . PHE B 37 ? 0.1506 0.1065 0.0872 -0.0254 0.0166 0.0010 37 PHE B CZ 1980 N N . ARG B 38 ? 0.0678 0.0941 0.0400 0.0140 0.0210 0.0138 38 ARG B N 1981 C CA . ARG B 38 ? 0.0849 0.0927 0.0554 0.0218 0.0327 0.0080 38 ARG B CA 1982 C C . ARG B 38 ? 0.0639 0.1033 0.0422 0.0159 0.0182 0.0148 38 ARG B C 1983 O O . ARG B 38 ? 0.0833 0.1192 0.0622 0.0066 -0.0017 0.0402 38 ARG B O 1984 C CB . ARG B 38 ? 0.1452 0.1116 0.0922 0.0324 0.0579 0.0130 38 ARG B CB 1985 C CG . ARG B 38 ? 0.1983 0.1245 0.1335 0.0392 0.0467 -0.0159 38 ARG B CG 1986 C CD . ARG B 38 ? 0.2356 0.1030 0.1691 0.0482 0.0321 -0.0313 38 ARG B CD 1987 N NE . ARG B 38 ? 0.2551 0.1265 0.2002 0.0491 0.0066 -0.0295 38 ARG B NE 1988 C CZ . ARG B 38 ? 0.2803 0.1577 0.2374 0.0279 -0.0134 -0.0468 38 ARG B CZ 1989 N NH1 . ARG B 38 ? 0.2768 0.1423 0.2432 0.0310 -0.0275 -0.0766 38 ARG B NH1 1990 N NH2 . ARG B 38 ? 0.3032 0.2159 0.2624 -0.0056 -0.0129 -0.0173 38 ARG B NH2 1991 N N . ALA B 39 ? 0.0603 0.0875 0.0338 0.0105 0.0100 0.0064 39 ALA B N 1992 C CA . ALA B 39 ? 0.0614 0.0824 0.0271 0.0154 0.0093 0.0077 39 ALA B CA 1993 C C . ALA B 39 ? 0.0518 0.0743 0.0252 0.0231 0.0060 0.0064 39 ALA B C 1994 O O . ALA B 39 ? 0.0661 0.1026 0.0456 0.0323 0.0162 0.0263 39 ALA B O 1995 C CB . ALA B 39 ? 0.0802 0.0988 0.0463 0.0070 0.0212 0.0241 39 ALA B CB 1996 N N . TYR B 40 ? 0.0615 0.0634 0.0303 0.0132 0.0074 0.0005 40 TYR B N 1997 C CA . TYR B 40 ? 0.0621 0.0722 0.0306 0.0113 0.0174 -0.0040 40 TYR B CA 1998 C C . TYR B 40 ? 0.0642 0.0713 0.0236 0.0018 0.0154 0.0015 40 TYR B C 1999 O O . TYR B 40 ? 0.0698 0.0903 0.0306 -0.0064 0.0026 0.0143 40 TYR B O 2000 C CB . TYR B 40 ? 0.0755 0.0839 0.0302 -0.0022 0.0195 -0.0020 40 TYR B CB 2001 C CG . TYR B 40 ? 0.0785 0.0638 0.0250 0.0040 0.0117 -0.0006 40 TYR B CG 2002 C CD1 . TYR B 40 ? 0.0754 0.0731 0.0281 0.0215 0.0106 0.0056 40 TYR B CD1 2003 C CD2 . TYR B 40 ? 0.0828 0.0696 0.0284 -0.0110 0.0098 -0.0117 40 TYR B CD2 2004 C CE1 . TYR B 40 ? 0.0733 0.0903 0.0331 0.0103 0.0098 0.0122 40 TYR B CE1 2005 C CE2 . TYR B 40 ? 0.0850 0.0769 0.0377 0.0052 0.0261 -0.0024 40 TYR B CE2 2006 C CZ . TYR B 40 ? 0.0732 0.0781 0.0378 0.0236 0.0209 0.0115 40 TYR B CZ 2007 O OH . TYR B 40 ? 0.0952 0.0959 0.0456 0.0231 0.0277 0.0089 40 TYR B OH 2008 N N . SER B 41 ? 0.0828 0.0711 0.0242 -0.0092 0.0063 -0.0009 41 SER B N 2009 C CA . SER B 41 ? 0.0830 0.0833 0.0361 0.0088 -0.0005 0.0001 41 SER B CA 2010 C C . SER B 41 ? 0.0929 0.0939 0.0524 -0.0040 -0.0037 0.0110 41 SER B C 2011 O O . SER B 41 ? 0.1110 0.1334 0.0878 -0.0194 -0.0137 0.0408 41 SER B O 2012 C CB . SER B 41 ? 0.1059 0.0625 0.0378 0.0087 0.0111 -0.0039 41 SER B CB 2013 O OG . SER B 41 ? 0.1142 0.0956 0.0598 -0.0131 0.0242 -0.0079 41 SER B OG 2014 N N . ASP B 42 ? 0.0807 0.0832 0.0463 0.0196 0.0048 -0.0085 42 ASP B N 2015 C CA . ASP B 42 ? 0.0864 0.0980 0.0499 -0.0033 0.0169 -0.0096 42 ASP B CA 2016 C C . ASP B 42 ? 0.0742 0.0771 0.0407 0.0030 0.0219 -0.0141 42 ASP B C 2017 O O . ASP B 42 ? 0.0847 0.1035 0.0653 0.0037 0.0269 -0.0089 42 ASP B O 2018 C CB . ASP B 42 ? 0.0918 0.1134 0.0577 0.0098 0.0207 -0.0056 42 ASP B CB 2019 C CG . ASP B 42 ? 0.1081 0.1201 0.0643 0.0260 0.0300 -0.0225 42 ASP B CG 2020 O OD1 . ASP B 42 ? 0.1176 0.1263 0.0781 0.0259 0.0113 -0.0167 42 ASP B OD1 2021 O OD2 . ASP B 42 ? 0.1204 0.1472 0.0626 0.0266 0.0303 -0.0181 42 ASP B OD2 2022 N N . LEU B 43 ? 0.0833 0.0661 0.0617 0.0119 0.0189 -0.0180 43 LEU B N 2023 C CA . LEU B 43 ? 0.0932 0.0765 0.0641 0.0010 0.0209 -0.0186 43 LEU B CA 2024 C C . LEU B 43 ? 0.0994 0.1025 0.0614 0.0081 0.0062 -0.0095 43 LEU B C 2025 O O . LEU B 43 ? 0.1157 0.1169 0.0796 0.0074 0.0005 -0.0108 43 LEU B O 2026 C CB . LEU B 43 ? 0.0819 0.0627 0.0636 0.0123 0.0263 -0.0227 43 LEU B CB 2027 C CG . LEU B 43 ? 0.0859 0.0921 0.0761 0.0027 0.0175 -0.0193 43 LEU B CG 2028 C CD1 . LEU B 43 ? 0.0739 0.0963 0.0807 0.0133 0.0164 -0.0099 43 LEU B CD1 2029 C CD2 . LEU B 43 ? 0.0912 0.1037 0.0877 -0.0203 0.0158 -0.0114 43 LEU B CD2 2030 N N . SER B 44 ? 0.0924 0.1478 0.0778 -0.0129 -0.0098 -0.0236 44 SER B N 2031 C CA . SER B 44 ? 0.1012 0.1654 0.1118 -0.0107 -0.0057 -0.0457 44 SER B CA 2032 C C . SER B 44 ? 0.1130 0.1509 0.0979 -0.0192 0.0037 -0.0191 44 SER B C 2033 O O . SER B 44 ? 0.1292 0.1761 0.1125 -0.0184 0.0095 -0.0100 44 SER B O 2034 C CB . SER B 44 ? 0.1070 0.2117 0.1620 -0.0155 -0.0050 -0.0711 44 SER B CB 2035 O OG . SER B 44 ? 0.1285 0.2468 0.2126 -0.0253 0.0079 -0.0574 44 SER B OG 2036 N N . ARG B 45 ? 0.1128 0.1157 0.0981 -0.0397 0.0152 -0.0237 45 ARG B N 2037 C CA . ARG B 45 ? 0.1157 0.1095 0.0850 -0.0400 0.0108 -0.0260 45 ARG B CA 2038 C C . ARG B 45 ? 0.1210 0.0969 0.0808 -0.0372 0.0203 -0.0210 45 ARG B C 2039 O O . ARG B 45 ? 0.1282 0.1041 0.0785 -0.0185 0.0184 -0.0069 45 ARG B O 2040 C CB . ARG B 45 ? 0.1238 0.1008 0.0849 -0.0408 0.0274 -0.0262 45 ARG B CB 2041 C CG . ARG B 45 ? 0.1318 0.0935 0.0907 -0.0304 0.0399 -0.0382 45 ARG B CG 2042 C CD . ARG B 45 ? 0.1269 0.0874 0.0904 -0.0237 0.0428 -0.0224 45 ARG B CD 2043 N NE . ARG B 45 ? 0.1226 0.0813 0.0937 -0.0294 0.0276 0.0007 45 ARG B NE 2044 C CZ . ARG B 45 ? 0.1096 0.0610 0.0708 -0.0182 0.0328 0.0029 45 ARG B CZ 2045 N NH1 . ARG B 45 ? 0.1071 0.0520 0.0631 -0.0086 0.0343 0.0022 45 ARG B NH1 2046 N NH2 . ARG B 45 ? 0.1360 0.0871 0.0795 0.0002 0.0207 -0.0045 45 ARG B NH2 2047 N N . ALA B 46 ? 0.1253 0.1181 0.0862 -0.0348 0.0238 -0.0225 46 ALA B N 2048 C CA . ALA B 46 ? 0.1237 0.1086 0.0794 -0.0247 0.0114 -0.0137 46 ALA B CA 2049 C C . ALA B 46 ? 0.1119 0.0981 0.0771 0.0002 0.0078 0.0177 46 ALA B C 2050 O O . ALA B 46 ? 0.1221 0.1285 0.0885 0.0167 0.0258 0.0326 46 ALA B O 2051 C CB . ALA B 46 ? 0.1527 0.1385 0.1064 -0.0270 0.0252 -0.0361 46 ALA B CB 2052 N N . TYR B 47 ? 0.0991 0.0900 0.0628 -0.0013 -0.0051 0.0123 47 TYR B N 2053 C CA . TYR B 47 ? 0.1014 0.0961 0.0443 0.0012 -0.0053 0.0146 47 TYR B CA 2054 C C . TYR B 47 ? 0.1013 0.0919 0.0390 0.0032 -0.0040 0.0128 47 TYR B C 2055 O O . TYR B 47 ? 0.0989 0.0840 0.0417 0.0140 0.0007 0.0151 47 TYR B O 2056 C CB . TYR B 47 ? 0.1119 0.0897 0.0512 0.0010 0.0013 0.0111 47 TYR B CB 2057 C CG . TYR B 47 ? 0.1237 0.0753 0.0420 -0.0075 0.0024 -0.0118 47 TYR B CG 2058 C CD1 . TYR B 47 ? 0.1305 0.1017 0.0460 -0.0130 0.0112 -0.0245 47 TYR B CD1 2059 C CD2 . TYR B 47 ? 0.1315 0.0617 0.0650 -0.0241 0.0173 0.0116 47 TYR B CD2 2060 C CE1 . TYR B 47 ? 0.1410 0.0855 0.0504 -0.0210 0.0193 -0.0207 47 TYR B CE1 2061 C CE2 . TYR B 47 ? 0.1266 0.0893 0.0672 0.0006 0.0080 0.0075 47 TYR B CE2 2062 C CZ . TYR B 47 ? 0.1464 0.0843 0.0591 0.0058 0.0032 -0.0032 47 TYR B CZ 2063 O OH . TYR B 47 ? 0.1798 0.1063 0.0684 0.0164 -0.0015 -0.0062 47 TYR B OH 2064 N N . SER B 48 ? 0.0943 0.0690 0.0449 0.0219 -0.0031 0.0222 48 SER B N 2065 C CA . SER B 48 ? 0.1075 0.0739 0.0486 0.0306 0.0163 0.0060 48 SER B CA 2066 C C . SER B 48 ? 0.1154 0.0564 0.0367 0.0338 0.0102 0.0070 48 SER B C 2067 O O . SER B 48 ? 0.1448 0.0848 0.0521 0.0019 0.0083 0.0079 48 SER B O 2068 C CB . SER B 48 ? 0.1241 0.0879 0.0683 0.0449 0.0283 0.0038 48 SER B CB 2069 O OG . SER B 48 ? 0.1328 0.1358 0.0675 0.0583 0.0282 0.0019 48 SER B OG 2070 N N . LEU B 49 ? 0.1022 0.0397 0.0360 0.0193 0.0099 0.0030 49 LEU B N 2071 C CA . LEU B 49 ? 0.0948 0.0539 0.0459 0.0137 0.0097 0.0137 49 LEU B CA 2072 C C . LEU B 49 ? 0.0933 0.0635 0.0353 0.0090 0.0168 0.0042 49 LEU B C 2073 O O . LEU B 49 ? 0.1125 0.1019 0.0442 -0.0053 0.0247 -0.0177 49 LEU B O 2074 C CB . LEU B 49 ? 0.1043 0.0853 0.0881 0.0328 0.0354 0.0288 49 LEU B CB 2075 C CG . LEU B 49 ? 0.1150 0.1217 0.1163 0.0239 0.0522 0.0414 49 LEU B CG 2076 C CD1 . LEU B 49 ? 0.1175 0.1558 0.1335 0.0459 0.0297 0.0712 49 LEU B CD1 2077 C CD2 . LEU B 49 ? 0.1270 0.1237 0.1328 0.0255 0.0739 0.0116 49 LEU B CD2 2078 N N . PHE B 50 ? 0.0878 0.0562 0.0457 0.0263 0.0156 0.0089 50 PHE B N 2079 C CA . PHE B 50 ? 0.0782 0.0429 0.0353 0.0172 0.0070 0.0056 50 PHE B CA 2080 C C . PHE B 50 ? 0.0656 0.0507 0.0296 0.0209 0.0151 0.0011 50 PHE B C 2081 O O . PHE B 50 ? 0.0773 0.0579 0.0594 0.0185 0.0024 -0.0178 50 PHE B O 2082 C CB . PHE B 50 ? 0.0861 0.0427 0.0448 0.0212 0.0023 -0.0021 50 PHE B CB 2083 C CG . PHE B 50 ? 0.0903 0.0352 0.0526 0.0172 0.0073 0.0111 50 PHE B CG 2084 C CD1 . PHE B 50 ? 0.0868 0.0771 0.0710 0.0219 0.0150 0.0247 50 PHE B CD1 2085 C CD2 . PHE B 50 ? 0.0843 0.0567 0.0661 0.0186 0.0095 0.0103 50 PHE B CD2 2086 C CE1 . PHE B 50 ? 0.1013 0.0967 0.0809 0.0166 0.0151 0.0248 50 PHE B CE1 2087 C CE2 . PHE B 50 ? 0.0873 0.0669 0.0775 0.0093 0.0074 0.0231 50 PHE B CE2 2088 C CZ . PHE B 50 ? 0.1016 0.0801 0.0852 0.0058 0.0169 0.0265 50 PHE B CZ 2089 N N . SER B 51 ? 0.0608 0.0500 0.0254 0.0069 0.0143 -0.0063 51 SER B N 2090 C CA . SER B 51 ? 0.0673 0.0694 0.0270 0.0040 0.0155 -0.0092 51 SER B CA 2091 C C . SER B 51 ? 0.0634 0.0692 0.0305 0.0166 0.0149 -0.0044 51 SER B C 2092 O O . SER B 51 ? 0.0651 0.1161 0.0422 0.0105 0.0102 -0.0206 51 SER B O 2093 C CB . SER B 51 ? 0.0890 0.0659 0.0381 0.0160 0.0224 -0.0043 51 SER B CB 2094 O OG . SER B 51 ? 0.0820 0.0809 0.0429 0.0156 0.0261 -0.0062 51 SER B OG 2095 N N . TYR B 52 ? 0.0574 0.0667 0.0324 0.0243 0.0112 0.0051 52 TYR B N 2096 C CA . TYR B 52 ? 0.0607 0.0929 0.0272 0.0136 0.0026 0.0082 52 TYR B CA 2097 C C . TYR B 52 ? 0.0651 0.0876 0.0316 0.0201 -0.0040 -0.0056 52 TYR B C 2098 O O . TYR B 52 ? 0.0884 0.0692 0.0465 0.0148 0.0070 -0.0080 52 TYR B O 2099 C CB . TYR B 52 ? 0.0638 0.0790 0.0406 0.0155 0.0199 -0.0112 52 TYR B CB 2100 C CG . TYR B 52 ? 0.0536 0.0856 0.0505 0.0119 0.0132 -0.0012 52 TYR B CG 2101 C CD1 . TYR B 52 ? 0.0619 0.1056 0.0512 0.0031 0.0123 0.0031 52 TYR B CD1 2102 C CD2 . TYR B 52 ? 0.0723 0.1004 0.0663 0.0036 0.0156 0.0049 52 TYR B CD2 2103 C CE1 . TYR B 52 ? 0.0677 0.1110 0.0656 0.0047 0.0209 -0.0024 52 TYR B CE1 2104 C CE2 . TYR B 52 ? 0.0628 0.0887 0.0768 -0.0057 0.0178 -0.0011 52 TYR B CE2 2105 C CZ . TYR B 52 ? 0.0756 0.1191 0.0787 -0.0085 0.0435 0.0092 52 TYR B CZ 2106 O OH . TYR B 52 ? 0.0982 0.1525 0.1124 0.0103 0.0580 0.0201 52 TYR B OH 2107 N N . ASN B 53 ? 0.0764 0.0693 0.0380 0.0171 0.0054 0.0018 53 ASN B N 2108 C CA . ASN B 53 ? 0.0771 0.0723 0.0390 0.0187 0.0026 -0.0098 53 ASN B CA 2109 C C . ASN B 53 ? 0.0809 0.0774 0.0453 0.0254 0.0111 -0.0163 53 ASN B C 2110 O O . ASN B 53 ? 0.0826 0.0886 0.0619 0.0174 0.0190 -0.0173 53 ASN B O 2111 C CB . ASN B 53 ? 0.0861 0.0758 0.0387 0.0188 -0.0002 0.0000 53 ASN B CB 2112 C CG . ASN B 53 ? 0.0972 0.0716 0.0485 0.0170 0.0190 -0.0001 53 ASN B CG 2113 O OD1 . ASN B 53 ? 0.0974 0.0845 0.0677 0.0037 0.0046 -0.0030 53 ASN B OD1 2114 N ND2 . ASN B 53 ? 0.1059 0.0910 0.0541 0.0316 0.0282 0.0259 53 ASN B ND2 2115 N N . THR B 54 ? 0.0834 0.0952 0.0604 0.0270 0.0198 -0.0232 54 THR B N 2116 C CA . THR B 54 ? 0.0874 0.0943 0.0519 0.0251 0.0187 -0.0155 54 THR B CA 2117 C C . THR B 54 ? 0.0877 0.1058 0.0769 0.0370 0.0207 -0.0135 54 THR B C 2118 O O . THR B 54 ? 0.0940 0.1145 0.0835 0.0350 0.0164 -0.0003 54 THR B O 2119 C CB . THR B 54 ? 0.1227 0.1124 0.0567 0.0103 0.0266 -0.0183 54 THR B CB 2120 O OG1 . THR B 54 ? 0.1630 0.1430 0.0571 -0.0031 0.0183 -0.0073 54 THR B OG1 2121 C CG2 . THR B 54 ? 0.1305 0.1146 0.0560 0.0039 0.0214 -0.0336 54 THR B CG2 2122 N N . GLN B 55 ? 0.0910 0.1107 0.0941 0.0447 0.0278 -0.0141 55 GLN B N 2123 C CA . GLN B 55 ? 0.1177 0.1153 0.1282 0.0475 0.0160 -0.0244 55 GLN B CA 2124 C C . GLN B 55 ? 0.1250 0.1280 0.0979 0.0481 0.0187 -0.0234 55 GLN B C 2125 O O . GLN B 55 ? 0.1498 0.1552 0.0970 0.0420 0.0318 -0.0399 55 GLN B O 2126 C CB . GLN B 55 ? 0.1498 0.1222 0.1997 0.0790 0.0041 -0.0053 55 GLN B CB 2127 C CG . GLN B 55 ? 0.2131 0.1675 0.2569 0.0867 -0.0137 0.0088 55 GLN B CG 2128 C CD . GLN B 55 ? 0.2790 0.2406 0.3064 0.0798 -0.0296 0.0200 55 GLN B CD 2129 O OE1 . GLN B 55 ? 0.3247 0.3104 0.3431 0.0521 -0.0278 0.0353 55 GLN B OE1 2130 N NE2 . GLN B 55 ? 0.2917 0.2573 0.3065 0.0910 -0.0353 0.0129 55 GLN B NE2 2131 N N . GLY B 56 ? 0.1244 0.1175 0.0921 0.0629 0.0103 -0.0199 56 GLY B N 2132 C CA . GLY B 56 ? 0.1328 0.1123 0.0882 0.0464 0.0166 -0.0140 56 GLY B CA 2133 C C . GLY B 56 ? 0.1186 0.1003 0.0819 0.0410 0.0219 -0.0269 56 GLY B C 2134 O O . GLY B 56 ? 0.1508 0.1321 0.1107 0.0165 0.0249 -0.0459 56 GLY B O 2135 N N . ARG B 57 ? 0.1124 0.1190 0.0706 0.0453 0.0268 -0.0126 57 ARG B N 2136 C CA . ARG B 57 ? 0.1035 0.1361 0.0733 0.0302 0.0341 -0.0190 57 ARG B CA 2137 C C . ARG B 57 ? 0.1052 0.1148 0.0752 0.0260 0.0322 -0.0295 57 ARG B C 2138 O O . ARG B 57 ? 0.1141 0.1358 0.1008 0.0082 0.0485 -0.0301 57 ARG B O 2139 C CB . ARG B 57 ? 0.1114 0.1877 0.0873 0.0657 0.0256 0.0032 57 ARG B CB 2140 C CG . ARG B 57 ? 0.1549 0.2680 0.1206 0.0885 0.0148 0.0054 57 ARG B CG 2141 C CD . ARG B 57 ? 0.2350 0.3525 0.1550 0.1092 0.0044 0.0062 57 ARG B CD 2142 N NE . ARG B 57 ? 0.2877 0.4158 0.1944 0.1183 -0.0273 0.0231 57 ARG B NE 2143 C CZ . ARG B 57 ? 0.3150 0.4444 0.2299 0.0986 -0.0613 0.0461 57 ARG B CZ 2144 N NH1 . ARG B 57 ? 0.3270 0.4584 0.2429 0.0777 -0.0697 0.0643 57 ARG B NH1 2145 N NH2 . ARG B 57 ? 0.3228 0.4636 0.2591 0.0942 -0.0626 0.0522 57 ARG B NH2 2146 N N . ASP B 58 ? 0.1079 0.0781 0.0614 0.0326 0.0243 -0.0129 58 ASP B N 2147 C CA . ASP B 58 ? 0.0999 0.0769 0.0560 0.0237 0.0238 -0.0173 58 ASP B CA 2148 C C . ASP B 58 ? 0.0989 0.0881 0.0528 0.0257 0.0207 -0.0187 58 ASP B C 2149 O O . ASP B 58 ? 0.1249 0.1178 0.0526 0.0383 0.0120 -0.0181 58 ASP B O 2150 C CB . ASP B 58 ? 0.1315 0.0717 0.0627 0.0144 0.0379 0.0018 58 ASP B CB 2151 C CG . ASP B 58 ? 0.1307 0.0749 0.0647 0.0245 0.0314 0.0042 58 ASP B CG 2152 O OD1 . ASP B 58 ? 0.1200 0.0942 0.0478 0.0228 0.0271 0.0059 58 ASP B OD1 2153 O OD2 . ASP B 58 ? 0.1366 0.1255 0.0767 0.0275 0.0354 -0.0278 58 ASP B OD2 2154 N N . ASN B 59 ? 0.0926 0.0948 0.0453 0.0309 0.0147 -0.0129 59 ASN B N 2155 C CA . ASN B 59 ? 0.0799 0.0878 0.0389 0.0221 0.0103 0.0047 59 ASN B CA 2156 C C . ASN B 59 ? 0.0859 0.0893 0.0317 0.0247 0.0083 -0.0032 59 ASN B C 2157 O O . ASN B 59 ? 0.0964 0.1112 0.0433 0.0279 0.0065 -0.0026 59 ASN B O 2158 C CB . ASN B 59 ? 0.0811 0.1043 0.0561 0.0198 0.0101 0.0020 59 ASN B CB 2159 C CG . ASN B 59 ? 0.0858 0.0937 0.0573 0.0262 0.0001 0.0114 59 ASN B CG 2160 O OD1 . ASN B 59 ? 0.0851 0.1029 0.0581 0.0205 0.0078 0.0041 59 ASN B OD1 2161 N ND2 . ASN B 59 ? 0.1065 0.1197 0.0656 0.0143 0.0057 0.0114 59 ASN B ND2 2162 N N . GLU B 60 ? 0.1000 0.0978 0.0400 0.0273 0.0123 0.0058 60 GLU B N 2163 C CA . GLU B 60 ? 0.1027 0.0773 0.0331 0.0133 0.0075 0.0030 60 GLU B CA 2164 C C . GLU B 60 ? 0.0860 0.0781 0.0329 0.0224 0.0113 0.0135 60 GLU B C 2165 O O . GLU B 60 ? 0.1051 0.0917 0.0394 0.0176 0.0117 0.0141 60 GLU B O 2166 C CB . GLU B 60 ? 0.1107 0.0977 0.0343 0.0114 0.0064 -0.0133 60 GLU B CB 2167 C CG . GLU B 60 ? 0.1120 0.0835 0.0565 0.0099 0.0125 -0.0165 60 GLU B CG 2168 C CD . GLU B 60 ? 0.1120 0.1059 0.0645 0.0041 0.0125 -0.0154 60 GLU B CD 2169 O OE1 . GLU B 60 ? 0.1260 0.1305 0.0696 0.0138 0.0150 -0.0449 60 GLU B OE1 2170 O OE2 . GLU B 60 ? 0.1407 0.1115 0.0730 -0.0049 0.0281 0.0029 60 GLU B OE2 2171 N N . LEU B 61 ? 0.0858 0.0749 0.0447 0.0127 0.0121 -0.0021 61 LEU B N 2172 C CA . LEU B 61 ? 0.0821 0.0666 0.0457 0.0025 0.0162 0.0004 61 LEU B CA 2173 C C . LEU B 61 ? 0.0601 0.0870 0.0380 0.0142 0.0102 -0.0051 61 LEU B C 2174 O O . LEU B 61 ? 0.0732 0.1580 0.0439 0.0153 0.0079 0.0077 61 LEU B O 2175 C CB . LEU B 61 ? 0.1050 0.0622 0.0708 0.0002 0.0256 0.0025 61 LEU B CB 2176 C CG . LEU B 61 ? 0.1257 0.0804 0.1010 -0.0057 0.0389 0.0040 61 LEU B CG 2177 C CD1 . LEU B 61 ? 0.1407 0.1041 0.1143 -0.0189 0.0121 0.0242 61 LEU B CD1 2178 C CD2 . LEU B 61 ? 0.1463 0.1207 0.1288 -0.0092 0.0647 0.0093 61 LEU B CD2 2179 N N . LEU B 62 ? 0.0583 0.0796 0.0333 0.0082 0.0138 -0.0046 62 LEU B N 2180 C CA . LEU B 62 ? 0.0694 0.0614 0.0327 -0.0011 0.0099 -0.0135 62 LEU B CA 2181 C C . LEU B 62 ? 0.0762 0.0618 0.0248 0.0018 0.0037 -0.0089 62 LEU B C 2182 O O . LEU B 62 ? 0.0674 0.0892 0.0291 0.0151 -0.0001 -0.0130 62 LEU B O 2183 C CB . LEU B 62 ? 0.0739 0.0692 0.0487 -0.0023 -0.0028 0.0140 62 LEU B CB 2184 C CG . LEU B 62 ? 0.0855 0.0924 0.0518 0.0035 0.0041 0.0274 62 LEU B CG 2185 C CD1 . LEU B 62 ? 0.0932 0.0845 0.0474 0.0134 0.0196 0.0271 62 LEU B CD1 2186 C CD2 . LEU B 62 ? 0.1048 0.0814 0.0536 -0.0068 0.0077 0.0353 62 LEU B CD2 2187 N N . VAL B 63 ? 0.0709 0.0687 0.0276 0.0095 0.0089 -0.0045 63 VAL B N 2188 C CA . VAL B 63 ? 0.0813 0.0613 0.0300 0.0182 0.0154 0.0077 63 VAL B CA 2189 C C . VAL B 63 ? 0.0660 0.0631 0.0267 0.0157 0.0073 0.0130 63 VAL B C 2190 O O . VAL B 63 ? 0.0861 0.0839 0.0339 0.0149 0.0075 0.0187 63 VAL B O 2191 C CB . VAL B 63 ? 0.1069 0.0690 0.0370 0.0236 0.0171 -0.0013 63 VAL B CB 2192 C CG1 . VAL B 63 ? 0.1124 0.0809 0.0583 0.0424 0.0199 -0.0036 63 VAL B CG1 2193 C CG2 . VAL B 63 ? 0.1207 0.0944 0.0576 0.0075 0.0224 0.0070 63 VAL B CG2 2194 N N . TYR B 64 ? 0.0675 0.0736 0.0331 0.0114 0.0100 0.0202 64 TYR B N 2195 C CA . TYR B 64 ? 0.0809 0.0958 0.0377 0.0142 0.0120 0.0075 64 TYR B CA 2196 C C . TYR B 64 ? 0.0713 0.1102 0.0369 0.0049 0.0097 0.0193 64 TYR B C 2197 O O . TYR B 64 ? 0.0854 0.1225 0.0394 0.0036 0.0026 0.0227 64 TYR B O 2198 C CB . TYR B 64 ? 0.1056 0.0935 0.0624 -0.0039 0.0181 -0.0058 64 TYR B CB 2199 C CG . TYR B 64 ? 0.0987 0.0939 0.0724 0.0143 0.0229 0.0063 64 TYR B CG 2200 C CD1 . TYR B 64 ? 0.0991 0.0888 0.0843 0.0357 0.0193 0.0157 64 TYR B CD1 2201 C CD2 . TYR B 64 ? 0.0950 0.1055 0.0815 0.0146 0.0179 0.0043 64 TYR B CD2 2202 C CE1 . TYR B 64 ? 0.1042 0.1051 0.0934 0.0276 0.0323 0.0119 64 TYR B CE1 2203 C CE2 . TYR B 64 ? 0.1043 0.1156 0.0959 0.0127 0.0313 0.0085 64 TYR B CE2 2204 C CZ . TYR B 64 ? 0.1157 0.1065 0.1103 0.0149 0.0495 0.0293 64 TYR B CZ 2205 O OH . TYR B 64 ? 0.1523 0.1222 0.1315 0.0182 0.0607 0.0284 64 TYR B OH 2206 N N . LYS B 65 ? 0.0707 0.1333 0.0458 0.0135 0.0140 0.0132 65 LYS B N 2207 C CA . LYS B 65 ? 0.0872 0.1347 0.0616 0.0123 0.0244 0.0012 65 LYS B CA 2208 C C . LYS B 65 ? 0.0963 0.1719 0.0733 -0.0128 0.0261 -0.0172 65 LYS B C 2209 O O . LYS B 65 ? 0.1146 0.1323 0.0978 0.0061 -0.0011 0.0049 65 LYS B O 2210 C CB . LYS B 65 ? 0.1147 0.1384 0.0855 -0.0024 0.0223 0.0015 65 LYS B CB 2211 C CG . LYS B 65 ? 0.1401 0.1659 0.1089 0.0014 0.0298 0.0201 65 LYS B CG 2212 C CD . LYS B 65 ? 0.1621 0.1957 0.1374 0.0269 0.0149 0.0148 65 LYS B CD 2213 C CE . LYS B 65 ? 0.1694 0.1985 0.1417 0.0459 -0.0124 0.0228 65 LYS B CE 2214 N NZ . LYS B 65 ? 0.1817 0.2115 0.1577 0.0511 -0.0186 -0.0060 65 LYS B NZ 2215 N N . GLU B 66 ? 0.1075 0.2437 0.1082 -0.0366 0.0395 -0.0395 66 GLU B N 2216 C CA . GLU B 66 ? 0.1501 0.2794 0.1364 -0.0421 0.0382 -0.0665 66 GLU B CA 2217 C C . GLU B 66 ? 0.1407 0.2214 0.1337 -0.0435 0.0292 -0.0357 66 GLU B C 2218 O O . GLU B 66 ? 0.1407 0.1937 0.1815 0.0041 0.0284 -0.0276 66 GLU B O 2219 C CB . GLU B 66 ? 0.1908 0.3538 0.1522 -0.0551 0.0382 -0.0686 66 GLU B CB 2220 C CG . GLU B 66 ? 0.2350 0.3902 0.1680 -0.0585 0.0386 -0.0221 66 GLU B CG 2221 C CD . GLU B 66 ? 0.2764 0.3797 0.1853 -0.0512 0.0395 0.0110 66 GLU B CD 2222 O OE1 . GLU B 66 ? 0.2970 0.4056 0.2161 -0.0403 0.0309 0.0311 66 GLU B OE1 2223 O OE2 . GLU B 66 ? 0.2925 0.3517 0.1670 -0.0604 0.0458 0.0231 66 GLU B OE2 2224 N N . ARG B 67 ? 0.1258 0.1816 0.0962 -0.0404 0.0248 -0.0093 67 ARG B N 2225 C CA . ARG B 67 ? 0.1311 0.1703 0.0940 -0.0439 0.0207 0.0051 67 ARG B CA 2226 C C . ARG B 67 ? 0.1248 0.1646 0.0650 -0.0344 0.0189 0.0270 67 ARG B C 2227 O O . ARG B 67 ? 0.1186 0.1777 0.0728 -0.0326 0.0094 0.0418 67 ARG B O 2228 C CB . ARG B 67 ? 0.1576 0.1641 0.1304 -0.0562 0.0035 0.0071 67 ARG B CB 2229 C CG . ARG B 67 ? 0.1786 0.1689 0.1671 -0.0779 -0.0250 -0.0167 67 ARG B CG 2230 C CD . ARG B 67 ? 0.2226 0.1975 0.2182 -0.0839 -0.0256 -0.0186 67 ARG B CD 2231 N NE . ARG B 67 ? 0.2705 0.2218 0.2640 -0.0899 -0.0276 -0.0116 67 ARG B NE 2232 C CZ . ARG B 67 ? 0.3129 0.2528 0.3048 -0.0678 -0.0159 -0.0012 67 ARG B CZ 2233 N NH1 . ARG B 67 ? 0.3197 0.2673 0.3147 -0.0673 -0.0190 -0.0091 67 ARG B NH1 2234 N NH2 . ARG B 67 ? 0.3417 0.2883 0.3328 -0.0452 -0.0030 0.0183 67 ARG B NH2 2235 N N A VAL B 68 ? 0.1317 0.1753 0.0764 -0.0143 0.0205 0.0328 68 VAL B N 2236 N N B VAL B 68 ? 0.1302 0.1736 0.0750 -0.0159 0.0222 0.0344 68 VAL B N 2237 C CA A VAL B 68 ? 0.1412 0.1932 0.0802 -0.0089 0.0330 0.0189 68 VAL B CA 2238 C CA B VAL B 68 ? 0.1375 0.1860 0.0772 -0.0100 0.0348 0.0272 68 VAL B CA 2239 C C A VAL B 68 ? 0.1430 0.1865 0.0736 0.0160 0.0331 0.0131 68 VAL B C 2240 C C B VAL B 68 ? 0.1391 0.1793 0.0697 0.0088 0.0367 0.0242 68 VAL B C 2241 O O A VAL B 68 ? 0.1532 0.2013 0.0759 0.0213 0.0249 0.0195 68 VAL B O 2242 O O B VAL B 68 ? 0.1467 0.1822 0.0718 0.0042 0.0316 0.0384 68 VAL B O 2243 C CB A VAL B 68 ? 0.1560 0.2231 0.0997 -0.0028 0.0506 0.0103 68 VAL B CB 2244 C CB B VAL B 68 ? 0.1494 0.2056 0.0952 -0.0029 0.0486 0.0220 68 VAL B CB 2245 C CG1 A VAL B 68 ? 0.1434 0.1892 0.1062 0.0078 0.0718 -0.0080 68 VAL B CG1 2246 C CG1 B VAL B 68 ? 0.1721 0.2449 0.1271 -0.0060 0.0437 0.0291 68 VAL B CG1 2247 C CG2 A VAL B 68 ? 0.1828 0.2567 0.1366 -0.0025 0.0404 0.0227 68 VAL B CG2 2248 C CG2 B VAL B 68 ? 0.1298 0.1625 0.0871 0.0043 0.0576 0.0149 68 VAL B CG2 2249 N N . GLY B 69 ? 0.1362 0.1584 0.0617 0.0315 0.0324 0.0198 69 GLY B N 2250 C CA . GLY B 69 ? 0.1334 0.1608 0.0708 0.0553 0.0281 0.0372 69 GLY B CA 2251 C C . GLY B 69 ? 0.1288 0.1425 0.0701 0.0424 0.0297 0.0395 69 GLY B C 2252 O O . GLY B 69 ? 0.1678 0.1455 0.1026 0.0516 0.0300 0.0591 69 GLY B O 2253 N N . GLU B 70 ? 0.1041 0.1362 0.0682 0.0139 0.0286 0.0397 70 GLU B N 2254 C CA . GLU B 70 ? 0.1116 0.1585 0.0657 0.0147 0.0202 0.0418 70 GLU B CA 2255 C C . GLU B 70 ? 0.1044 0.1443 0.0519 0.0003 0.0095 0.0328 70 GLU B C 2256 O O . GLU B 70 ? 0.1051 0.1934 0.0612 -0.0193 -0.0073 0.0314 70 GLU B O 2257 C CB . GLU B 70 ? 0.1268 0.1836 0.1186 0.0149 -0.0003 0.0234 70 GLU B CB 2258 C CG . GLU B 70 ? 0.1682 0.2328 0.1826 -0.0052 -0.0213 0.0149 70 GLU B CG 2259 C CD . GLU B 70 ? 0.2120 0.2914 0.2378 -0.0140 -0.0288 -0.0105 70 GLU B CD 2260 O OE1 . GLU B 70 ? 0.2291 0.2672 0.2454 -0.0137 -0.0295 -0.0196 70 GLU B OE1 2261 O OE2 . GLU B 70 ? 0.2413 0.3491 0.2723 -0.0253 -0.0251 -0.0249 70 GLU B OE2 2262 N N . TYR B 71 ? 0.0836 0.1108 0.0339 0.0149 0.0117 0.0068 71 TYR B N 2263 C CA . TYR B 71 ? 0.0799 0.1024 0.0382 0.0147 0.0131 -0.0057 71 TYR B CA 2264 C C . TYR B 71 ? 0.0642 0.1043 0.0295 0.0184 0.0014 -0.0022 71 TYR B C 2265 O O . TYR B 71 ? 0.0914 0.1366 0.0429 0.0246 0.0012 -0.0180 71 TYR B O 2266 C CB . TYR B 71 ? 0.0862 0.1240 0.0596 -0.0030 0.0164 -0.0223 71 TYR B CB 2267 C CG . TYR B 71 ? 0.1087 0.1326 0.0747 0.0054 0.0089 -0.0242 71 TYR B CG 2268 C CD1 . TYR B 71 ? 0.1180 0.1216 0.0896 0.0136 0.0163 -0.0151 71 TYR B CD1 2269 C CD2 . TYR B 71 ? 0.1214 0.1344 0.0922 0.0240 0.0017 -0.0443 71 TYR B CD2 2270 C CE1 . TYR B 71 ? 0.1209 0.1031 0.1020 0.0155 0.0162 -0.0167 71 TYR B CE1 2271 C CE2 . TYR B 71 ? 0.1345 0.1183 0.0938 0.0315 0.0063 -0.0528 71 TYR B CE2 2272 C CZ . TYR B 71 ? 0.1448 0.1169 0.1019 0.0305 0.0150 -0.0508 71 TYR B CZ 2273 O OH . TYR B 71 ? 0.1880 0.1467 0.1230 0.0368 0.0164 -0.0595 71 TYR B OH 2274 N N . SER B 72 ? 0.0663 0.1053 0.0376 0.0198 0.0149 0.0134 72 SER B N 2275 C CA . SER B 72 ? 0.0747 0.0987 0.0497 0.0268 0.0082 0.0132 72 SER B CA 2276 C C . SER B 72 ? 0.0714 0.0802 0.0365 0.0309 -0.0059 0.0081 72 SER B C 2277 O O . SER B 72 ? 0.0815 0.0930 0.0337 0.0222 -0.0002 0.0036 72 SER B O 2278 C CB . SER B 72 ? 0.0927 0.1010 0.1003 0.0288 0.0084 0.0082 72 SER B CB 2279 O OG . SER B 72 ? 0.1185 0.1206 0.1366 -0.0007 0.0004 0.0238 72 SER B OG 2280 N N . LEU B 73 ? 0.0719 0.0711 0.0376 0.0296 0.0063 0.0053 73 LEU B N 2281 C CA . LEU B 73 ? 0.0681 0.0838 0.0338 0.0118 0.0034 -0.0056 73 LEU B CA 2282 C C . LEU B 73 ? 0.0593 0.0677 0.0315 0.0095 0.0067 -0.0140 73 LEU B C 2283 O O . LEU B 73 ? 0.0704 0.0826 0.0528 0.0178 -0.0059 -0.0343 73 LEU B O 2284 C CB . LEU B 73 ? 0.0772 0.0815 0.0396 0.0232 0.0124 -0.0145 73 LEU B CB 2285 C CG . LEU B 73 ? 0.1019 0.0971 0.0495 0.0192 0.0285 -0.0108 73 LEU B CG 2286 C CD1 . LEU B 73 ? 0.1026 0.1043 0.0633 0.0124 0.0139 0.0053 73 LEU B CD1 2287 C CD2 . LEU B 73 ? 0.1218 0.0967 0.0552 0.0072 0.0243 0.0084 73 LEU B CD2 2288 N N . TYR B 74 ? 0.0684 0.0802 0.0424 0.0218 0.0067 -0.0140 74 TYR B N 2289 C CA . TYR B 74 ? 0.0780 0.0654 0.0378 0.0320 0.0007 -0.0052 74 TYR B CA 2290 C C . TYR B 74 ? 0.0778 0.0767 0.0345 0.0358 0.0003 -0.0081 74 TYR B C 2291 O O . TYR B 74 ? 0.0838 0.0969 0.0466 0.0338 0.0020 -0.0146 74 TYR B O 2292 C CB . TYR B 74 ? 0.1149 0.0939 0.0548 0.0292 -0.0079 0.0028 74 TYR B CB 2293 C CG . TYR B 74 ? 0.1499 0.1048 0.0500 -0.0020 0.0029 -0.0032 74 TYR B CG 2294 C CD1 . TYR B 74 ? 0.1564 0.1545 0.0510 -0.0140 -0.0055 -0.0011 74 TYR B CD1 2295 C CD2 . TYR B 74 ? 0.2021 0.1485 0.0748 -0.0459 0.0356 0.0040 74 TYR B CD2 2296 C CE1 . TYR B 74 ? 0.1919 0.1899 0.0805 -0.0417 0.0117 0.0158 74 TYR B CE1 2297 C CE2 . TYR B 74 ? 0.2310 0.1947 0.1150 -0.0774 0.0374 0.0065 74 TYR B CE2 2298 C CZ . TYR B 74 ? 0.2231 0.2211 0.1218 -0.0850 0.0429 0.0283 74 TYR B CZ 2299 O OH . TYR B 74 ? 0.2420 0.2945 0.1610 -0.1177 0.0543 0.0192 74 TYR B OH 2300 N N . ILE B 75 ? 0.0722 0.0906 0.0324 0.0269 0.0016 -0.0111 75 ILE B N 2301 C CA . ILE B 75 ? 0.0780 0.0995 0.0355 0.0293 0.0072 -0.0006 75 ILE B CA 2302 C C . ILE B 75 ? 0.0931 0.0938 0.0301 0.0171 0.0063 -0.0033 75 ILE B C 2303 O O . ILE B 75 ? 0.0984 0.0987 0.0344 0.0182 -0.0001 -0.0148 75 ILE B O 2304 C CB . ILE B 75 ? 0.0762 0.0999 0.0530 0.0345 0.0208 -0.0034 75 ILE B CB 2305 C CG1 . ILE B 75 ? 0.0866 0.1048 0.0684 0.0356 0.0227 -0.0006 75 ILE B CG1 2306 C CG2 . ILE B 75 ? 0.0810 0.1255 0.0631 0.0265 0.0278 -0.0064 75 ILE B CG2 2307 C CD1 . ILE B 75 ? 0.1006 0.1096 0.0717 0.0264 0.0268 -0.0112 75 ILE B CD1 2308 N N . GLY B 76 ? 0.1091 0.0761 0.0360 0.0195 0.0066 0.0024 76 GLY B N 2309 C CA . GLY B 76 ? 0.1121 0.0774 0.0575 0.0391 -0.0058 -0.0183 76 GLY B CA 2310 C C . GLY B 76 ? 0.1137 0.0893 0.0786 0.0372 -0.0171 -0.0178 76 GLY B C 2311 O O . GLY B 76 ? 0.1254 0.0882 0.0877 0.0473 -0.0056 -0.0180 76 GLY B O 2312 N N . ARG B 77 ? 0.1105 0.0782 0.0987 0.0362 -0.0269 -0.0081 77 ARG B N 2313 C CA . ARG B 77 ? 0.1146 0.0764 0.1134 0.0172 -0.0322 0.0221 77 ARG B CA 2314 C C . ARG B 77 ? 0.1217 0.1097 0.1380 -0.0080 -0.0318 0.0270 77 ARG B C 2315 O O . ARG B 77 ? 0.1500 0.1702 0.1959 -0.0362 -0.0438 0.0747 77 ARG B O 2316 C CB . ARG B 77 ? 0.1311 0.0850 0.1143 0.0202 -0.0373 0.0175 77 ARG B CB 2317 C CG . ARG B 77 ? 0.1439 0.0911 0.1129 0.0427 -0.0340 0.0086 77 ARG B CG 2318 C CD . ARG B 77 ? 0.1411 0.0994 0.1085 0.0584 -0.0184 -0.0089 77 ARG B CD 2319 N NE . ARG B 77 ? 0.1283 0.1129 0.0946 0.0596 -0.0153 -0.0049 77 ARG B NE 2320 C CZ . ARG B 77 ? 0.1304 0.1360 0.0882 0.0522 0.0014 -0.0081 77 ARG B CZ 2321 N NH1 . ARG B 77 ? 0.1148 0.1447 0.0774 0.0391 -0.0021 -0.0244 77 ARG B NH1 2322 N NH2 . ARG B 77 ? 0.1461 0.1388 0.0891 0.0589 0.0158 -0.0006 77 ARG B NH2 2323 N N . HIS B 78 ? 0.0920 0.0906 0.0834 0.0193 -0.0226 -0.0306 78 HIS B N 2324 C CA . HIS B 78 ? 0.0980 0.0879 0.0633 0.0070 -0.0057 -0.0383 78 HIS B CA 2325 C C . HIS B 78 ? 0.1031 0.0849 0.0578 0.0203 0.0017 -0.0343 78 HIS B C 2326 O O . HIS B 78 ? 0.1153 0.1216 0.0638 0.0012 0.0139 -0.0439 78 HIS B O 2327 C CB . HIS B 78 ? 0.1199 0.0939 0.0659 0.0259 -0.0090 -0.0385 78 HIS B CB 2328 C CG . HIS B 78 ? 0.1658 0.1021 0.0804 0.0416 -0.0023 -0.0357 78 HIS B CG 2329 N ND1 . HIS B 78 ? 0.2068 0.1175 0.0936 0.0521 0.0074 -0.0251 78 HIS B ND1 2330 C CD2 . HIS B 78 ? 0.1817 0.1157 0.0915 0.0432 0.0118 -0.0393 78 HIS B CD2 2331 C CE1 . HIS B 78 ? 0.2089 0.1104 0.0914 0.0616 0.0156 -0.0195 78 HIS B CE1 2332 N NE2 . HIS B 78 ? 0.2120 0.1385 0.0838 0.0494 0.0168 -0.0297 78 HIS B NE2 2333 N N . LYS B 79 ? 0.1225 0.1018 0.0736 0.0479 -0.0044 -0.0324 79 LYS B N 2334 C CA . LYS B 79 ? 0.1400 0.1338 0.0894 0.0548 -0.0149 0.0029 79 LYS B CA 2335 C C . LYS B 79 ? 0.1209 0.0989 0.0712 0.0365 -0.0122 -0.0122 79 LYS B C 2336 O O . LYS B 79 ? 0.1405 0.1177 0.0871 0.0263 -0.0087 -0.0519 79 LYS B O 2337 C CB . LYS B 79 ? 0.2075 0.2512 0.1625 0.0660 0.0011 0.0398 79 LYS B CB 2338 C CG . LYS B 79 ? 0.2665 0.3298 0.2105 0.0403 -0.0075 0.0534 79 LYS B CG 2339 C CD . LYS B 79 ? 0.3174 0.3964 0.2599 0.0244 0.0041 0.0512 79 LYS B CD 2340 C CE . LYS B 79 ? 0.3582 0.4424 0.3051 0.0312 0.0223 0.0400 79 LYS B CE 2341 N NZ . LYS B 79 ? 0.3880 0.4688 0.3310 0.0307 0.0322 0.0271 79 LYS B NZ 2342 N N . VAL B 80 ? 0.0960 0.0849 0.0514 0.0208 -0.0033 -0.0012 80 VAL B N 2343 C CA . VAL B 80 ? 0.0901 0.1032 0.0379 0.0298 0.0073 0.0109 80 VAL B CA 2344 C C . VAL B 80 ? 0.0774 0.1075 0.0445 0.0273 0.0007 0.0009 80 VAL B C 2345 O O . VAL B 80 ? 0.0932 0.1174 0.0393 0.0130 0.0088 0.0054 80 VAL B O 2346 C CB . VAL B 80 ? 0.0991 0.1194 0.0370 0.0250 0.0059 0.0094 80 VAL B CB 2347 C CG1 . VAL B 80 ? 0.0960 0.1568 0.0488 0.0033 0.0211 -0.0013 80 VAL B CG1 2348 C CG2 . VAL B 80 ? 0.0967 0.0980 0.0456 0.0177 0.0171 0.0076 80 VAL B CG2 2349 N N . THR B 81 ? 0.0805 0.1186 0.0592 0.0294 -0.0066 -0.0120 81 THR B N 2350 C CA . THR B 81 ? 0.0944 0.1132 0.0768 0.0252 0.0065 0.0004 81 THR B CA 2351 C C . THR B 81 ? 0.0947 0.1158 0.0644 0.0311 -0.0036 0.0037 81 THR B C 2352 O O . THR B 81 ? 0.1101 0.1243 0.0692 0.0434 -0.0034 -0.0126 81 THR B O 2353 C CB . THR B 81 ? 0.1008 0.1230 0.0896 0.0162 0.0161 0.0219 81 THR B CB 2354 O OG1 . THR B 81 ? 0.1205 0.1474 0.1136 0.0205 0.0080 0.0379 81 THR B OG1 2355 C CG2 . THR B 81 ? 0.1184 0.1336 0.0900 0.0120 0.0210 0.0293 81 THR B CG2 2356 N N . SER B 82 ? 0.0877 0.1142 0.0676 0.0310 -0.0097 0.0037 82 SER B N 2357 C CA . SER B 82 ? 0.1054 0.1042 0.0687 0.0260 0.0163 -0.0114 82 SER B CA 2358 C C . SER B 82 ? 0.0981 0.1171 0.0565 0.0411 0.0031 0.0175 82 SER B C 2359 O O . SER B 82 ? 0.0969 0.1489 0.0638 0.0578 -0.0026 0.0189 82 SER B O 2360 C CB . SER B 82 ? 0.1498 0.1525 0.0999 0.0104 0.0418 -0.0274 82 SER B CB 2361 O OG . SER B 82 ? 0.1746 0.1660 0.1231 -0.0081 0.0472 -0.0215 82 SER B OG 2362 N N . LYS B 83 ? 0.0927 0.1377 0.0515 0.0433 0.0107 0.0219 83 LYS B N 2363 C CA . LYS B 83 ? 0.0927 0.1299 0.0520 0.0411 0.0177 0.0181 83 LYS B CA 2364 C C . LYS B 83 ? 0.1011 0.1166 0.0520 0.0422 0.0107 0.0277 83 LYS B C 2365 O O . LYS B 83 ? 0.1131 0.1204 0.0544 0.0364 0.0110 0.0310 83 LYS B O 2366 C CB . LYS B 83 ? 0.1290 0.1578 0.0846 0.0329 0.0278 0.0059 83 LYS B CB 2367 C CG . LYS B 83 ? 0.1750 0.2149 0.1399 0.0067 0.0286 -0.0243 83 LYS B CG 2368 C CD . LYS B 83 ? 0.2289 0.2754 0.1987 -0.0079 0.0492 -0.0287 83 LYS B CD 2369 C CE . LYS B 83 ? 0.2715 0.3347 0.2483 -0.0194 0.0594 -0.0289 83 LYS B CE 2370 N NZ . LYS B 83 ? 0.3015 0.3712 0.2701 -0.0254 0.0608 -0.0247 83 LYS B NZ 2371 N N . VAL B 84 ? 0.1079 0.1137 0.0461 0.0421 0.0163 0.0176 84 VAL B N 2372 C CA . VAL B 84 ? 0.1118 0.1391 0.0580 0.0350 0.0156 -0.0003 84 VAL B CA 2373 C C . VAL B 84 ? 0.1069 0.1379 0.0492 0.0428 0.0172 0.0087 84 VAL B C 2374 O O . VAL B 84 ? 0.1195 0.1479 0.0621 0.0396 0.0296 0.0059 84 VAL B O 2375 C CB . VAL B 84 ? 0.1404 0.1615 0.0826 0.0150 0.0257 -0.0326 84 VAL B CB 2376 C CG1 . VAL B 84 ? 0.1474 0.2044 0.1042 -0.0058 0.0034 -0.0369 84 VAL B CG1 2377 C CG2 . VAL B 84 ? 0.1777 0.1675 0.1011 0.0138 0.0442 -0.0443 84 VAL B CG2 2378 N N . ILE B 85 ? 0.1075 0.1473 0.0542 0.0458 0.0193 0.0029 85 ILE B N 2379 C CA . ILE B 85 ? 0.1034 0.1823 0.0625 0.0515 0.0101 -0.0127 85 ILE B CA 2380 C C . ILE B 85 ? 0.1349 0.2140 0.0690 0.0503 0.0152 -0.0133 85 ILE B C 2381 O O . ILE B 85 ? 0.1482 0.2573 0.0710 0.0400 0.0047 -0.0139 85 ILE B O 2382 C CB . ILE B 85 ? 0.1201 0.2127 0.0853 0.0574 0.0050 -0.0257 85 ILE B CB 2383 C CG1 . ILE B 85 ? 0.1424 0.2378 0.1059 0.0626 -0.0102 -0.0227 85 ILE B CG1 2384 C CG2 . ILE B 85 ? 0.1410 0.2316 0.1011 0.0591 0.0117 -0.0428 85 ILE B CG2 2385 C CD1 . ILE B 85 ? 0.1541 0.2609 0.1174 0.0747 -0.0224 -0.0196 85 ILE B CD1 2386 N N . GLU B 86 ? 0.1614 0.2300 0.0836 0.0678 0.0015 -0.0053 86 GLU B N 2387 C CA . GLU B 86 ? 0.1749 0.2305 0.1056 0.0582 -0.0006 0.0092 86 GLU B CA 2388 C C . GLU B 86 ? 0.1877 0.2424 0.1019 0.0407 0.0144 0.0199 86 GLU B C 2389 O O . GLU B 86 ? 0.1918 0.2826 0.1047 0.0295 0.0355 -0.0025 86 GLU B O 2390 C CB . GLU B 86 ? 0.1983 0.2450 0.1549 0.0571 0.0134 0.0060 86 GLU B CB 2391 C CG . GLU B 86 ? 0.2262 0.2602 0.1877 0.0401 0.0208 -0.0084 86 GLU B CG 2392 C CD . GLU B 86 ? 0.2198 0.2390 0.2018 0.0439 0.0003 -0.0102 86 GLU B CD 2393 O OE1 . GLU B 86 ? 0.2199 0.2579 0.1883 0.0470 0.0097 -0.0173 86 GLU B OE1 2394 O OE2 . GLU B 86 ? 0.1992 0.1839 0.2076 0.0633 -0.0239 -0.0096 86 GLU B OE2 2395 N N . LYS B 87 ? 0.1942 0.2250 0.0878 0.0503 0.0199 0.0319 87 LYS B N 2396 C CA . LYS B 87 ? 0.2140 0.2465 0.0938 0.0653 0.0179 0.0267 87 LYS B CA 2397 C C . LYS B 87 ? 0.1800 0.2418 0.0835 0.0546 0.0136 0.0096 87 LYS B C 2398 O O . LYS B 87 ? 0.1870 0.2622 0.0880 0.0389 0.0275 0.0147 87 LYS B O 2399 C CB . LYS B 87 ? 0.2642 0.2821 0.1450 0.0847 0.0152 0.0368 87 LYS B CB 2400 C CG . LYS B 87 ? 0.3101 0.3273 0.1906 0.0920 -0.0013 0.0351 87 LYS B CG 2401 C CD . LYS B 87 ? 0.3530 0.3765 0.2462 0.0895 -0.0068 0.0233 87 LYS B CD 2402 C CE . LYS B 87 ? 0.3893 0.4116 0.2905 0.0840 -0.0081 0.0119 87 LYS B CE 2403 N NZ . LYS B 87 ? 0.4118 0.4472 0.3184 0.0683 -0.0031 -0.0027 87 LYS B NZ 2404 N N . PHE B 88 ? 0.1493 0.2300 0.0827 0.0520 0.0086 0.0052 88 PHE B N 2405 C CA . PHE B 88 ? 0.1351 0.1950 0.0964 0.0502 -0.0017 -0.0062 88 PHE B CA 2406 C C . PHE B 88 ? 0.1248 0.1706 0.0871 0.0297 -0.0011 -0.0039 88 PHE B C 2407 O O . PHE B 88 ? 0.1205 0.1786 0.1170 0.0270 -0.0130 -0.0089 88 PHE B O 2408 C CB . PHE B 88 ? 0.1436 0.1907 0.1170 0.0646 -0.0162 -0.0117 88 PHE B CB 2409 C CG . PHE B 88 ? 0.1544 0.1787 0.1426 0.0572 -0.0254 -0.0199 88 PHE B CG 2410 C CD1 . PHE B 88 ? 0.1587 0.1839 0.1554 0.0583 -0.0152 -0.0321 88 PHE B CD1 2411 C CD2 . PHE B 88 ? 0.1669 0.1685 0.1624 0.0454 -0.0337 -0.0179 88 PHE B CD2 2412 C CE1 . PHE B 88 ? 0.1575 0.1863 0.1576 0.0474 -0.0304 -0.0209 88 PHE B CE1 2413 C CE2 . PHE B 88 ? 0.1703 0.1705 0.1776 0.0347 -0.0257 -0.0174 88 PHE B CE2 2414 C CZ . PHE B 88 ? 0.1600 0.1849 0.1717 0.0438 -0.0294 -0.0205 88 PHE B CZ 2415 N N . PRO B 89 ? 0.1106 0.1475 0.0531 0.0105 0.0123 0.0145 89 PRO B N 2416 C CA . PRO B 89 ? 0.1158 0.1466 0.0491 0.0057 0.0062 0.0078 89 PRO B CA 2417 C C . PRO B 89 ? 0.1148 0.1469 0.0822 0.0290 0.0229 0.0109 89 PRO B C 2418 O O . PRO B 89 ? 0.1275 0.1573 0.1152 0.0226 0.0362 0.0071 89 PRO B O 2419 C CB . PRO B 89 ? 0.1303 0.1733 0.0459 0.0129 -0.0030 0.0037 89 PRO B CB 2420 C CG . PRO B 89 ? 0.1553 0.2093 0.0753 0.0037 0.0091 0.0109 89 PRO B CG 2421 C CD . PRO B 89 ? 0.1274 0.1646 0.0600 0.0059 0.0212 0.0095 89 PRO B CD 2422 N N . ALA B 90 ? 0.1098 0.1527 0.0782 0.0267 0.0276 0.0266 90 ALA B N 2423 C CA . ALA B 90 ? 0.1076 0.1587 0.0890 0.0322 0.0174 0.0447 90 ALA B CA 2424 C C . ALA B 90 ? 0.0924 0.1228 0.0763 0.0372 0.0185 0.0178 90 ALA B C 2425 O O . ALA B 90 ? 0.1120 0.1106 0.0865 0.0213 -0.0008 -0.0061 90 ALA B O 2426 C CB . ALA B 90 ? 0.1129 0.1849 0.1251 0.0217 0.0084 0.0855 90 ALA B CB 2427 N N . PRO B 91 ? 0.0942 0.1422 0.0781 0.0275 0.0235 0.0097 91 PRO B N 2428 C CA . PRO B 91 ? 0.0898 0.1388 0.0810 0.0273 0.0167 0.0062 91 PRO B CA 2429 C C . PRO B 91 ? 0.0697 0.1335 0.0668 0.0140 -0.0010 0.0134 91 PRO B C 2430 O O . PRO B 91 ? 0.0856 0.1647 0.0820 0.0347 0.0147 0.0237 91 PRO B O 2431 C CB . PRO B 91 ? 0.1199 0.1404 0.1005 0.0123 0.0298 -0.0056 91 PRO B CB 2432 C CG . PRO B 91 ? 0.1284 0.1318 0.0993 0.0295 0.0345 -0.0087 91 PRO B CG 2433 C CD . PRO B 91 ? 0.1199 0.1464 0.0920 0.0350 0.0340 0.0137 91 PRO B CD 2434 N N . VAL B 92 ? 0.0723 0.1079 0.0504 0.0043 0.0001 0.0168 92 VAL B N 2435 C CA . VAL B 92 ? 0.0783 0.1187 0.0543 0.0058 0.0023 0.0188 92 VAL B CA 2436 C C . VAL B 92 ? 0.0729 0.0982 0.0477 0.0117 0.0080 0.0296 92 VAL B C 2437 O O . VAL B 92 ? 0.0840 0.1236 0.0589 0.0006 0.0008 0.0277 92 VAL B O 2438 C CB . VAL B 92 ? 0.1003 0.1478 0.0643 -0.0309 0.0029 -0.0204 92 VAL B CB 2439 C CG1 . VAL B 92 ? 0.1436 0.1447 0.0565 -0.0263 0.0033 -0.0219 92 VAL B CG1 2440 C CG2 . VAL B 92 ? 0.1166 0.1713 0.0932 -0.0312 0.0102 -0.0294 92 VAL B CG2 2441 N N . HIS B 93 ? 0.0640 0.0936 0.0488 0.0043 0.0104 0.0332 93 HIS B N 2442 C CA . HIS B 93 ? 0.0813 0.0855 0.0477 0.0173 0.0079 0.0313 93 HIS B CA 2443 C C . HIS B 93 ? 0.0645 0.0730 0.0376 0.0225 -0.0037 0.0186 93 HIS B C 2444 O O . HIS B 93 ? 0.0884 0.0903 0.0485 0.0434 0.0092 0.0218 93 HIS B O 2445 C CB . HIS B 93 ? 0.1023 0.0816 0.0661 0.0197 0.0190 0.0216 93 HIS B CB 2446 C CG . HIS B 93 ? 0.1204 0.0882 0.0728 -0.0028 0.0193 0.0234 93 HIS B CG 2447 N ND1 . HIS B 93 ? 0.1206 0.1093 0.0708 0.0075 0.0165 -0.0078 93 HIS B ND1 2448 C CD2 . HIS B 93 ? 0.1235 0.0984 0.0781 0.0105 0.0165 0.0305 93 HIS B CD2 2449 C CE1 . HIS B 93 ? 0.1079 0.1181 0.0686 0.0107 0.0259 0.0165 93 HIS B CE1 2450 N NE2 . HIS B 93 ? 0.1150 0.0985 0.0792 0.0117 0.0245 0.0350 93 HIS B NE2 2451 N N . ILE B 94 ? 0.0700 0.0977 0.0346 0.0334 -0.0096 -0.0040 94 ILE B N 2452 C CA . ILE B 94 ? 0.0710 0.1323 0.0465 0.0122 -0.0084 -0.0246 94 ILE B CA 2453 C C . ILE B 94 ? 0.0663 0.1604 0.0491 0.0207 0.0017 -0.0215 94 ILE B C 2454 O O . ILE B 94 ? 0.0790 0.1831 0.0544 0.0094 0.0062 -0.0233 94 ILE B O 2455 C CB . ILE B 94 ? 0.1088 0.1105 0.0753 0.0062 0.0006 -0.0290 94 ILE B CB 2456 C CG1 . ILE B 94 ? 0.1334 0.1302 0.1171 0.0032 -0.0014 -0.0034 94 ILE B CG1 2457 C CG2 . ILE B 94 ? 0.1426 0.1300 0.1012 0.0117 0.0049 -0.0398 94 ILE B CG2 2458 C CD1 . ILE B 94 ? 0.1501 0.1356 0.1481 -0.0121 -0.0095 0.0101 94 ILE B CD1 2459 N N A CYS B 95 ? 0.0629 0.1314 0.0491 0.0268 -0.0031 -0.0287 95 CYS B N 2460 N N B CYS B 95 ? 0.0624 0.1711 0.0645 0.0324 0.0053 -0.0185 95 CYS B N 2461 C CA A CYS B 95 ? 0.0840 0.1309 0.0453 0.0297 0.0004 -0.0217 95 CYS B CA 2462 C CA B CYS B 95 ? 0.0775 0.1812 0.0829 0.0293 0.0151 -0.0072 95 CYS B CA 2463 C C A CYS B 95 ? 0.0683 0.1240 0.0418 0.0120 0.0116 0.0042 95 CYS B C 2464 C C B CYS B 95 ? 0.0675 0.1564 0.0660 0.0125 0.0215 -0.0132 95 CYS B C 2465 O O A CYS B 95 ? 0.0692 0.1102 0.0428 0.0159 0.0118 0.0260 95 CYS B O 2466 O O B CYS B 95 ? 0.0748 0.1494 0.0768 0.0174 0.0261 -0.0258 95 CYS B O 2467 C CB A CYS B 95 ? 0.1270 0.1392 0.0546 0.0243 -0.0034 -0.0332 95 CYS B CB 2468 C CB B CYS B 95 ? 0.1044 0.2101 0.1274 0.0196 0.0213 0.0161 95 CYS B CB 2469 S SG A CYS B 95 ? 0.1800 0.1594 0.0771 0.0426 -0.0003 -0.0110 95 CYS B SG 2470 S SG B CYS B 95 ? 0.1292 0.2267 0.1722 0.0309 0.0355 0.0420 95 CYS B SG 2471 N N . VAL B 96 ? 0.0565 0.1292 0.0451 0.0017 0.0140 -0.0038 96 VAL B N 2472 C CA . VAL B 96 ? 0.0721 0.1190 0.0507 -0.0015 0.0208 0.0009 96 VAL B CA 2473 C C . VAL B 96 ? 0.0630 0.0826 0.0323 0.0088 0.0073 -0.0035 96 VAL B C 2474 O O . VAL B 96 ? 0.0832 0.1065 0.0422 0.0019 0.0145 0.0067 96 VAL B O 2475 C CB . VAL B 96 ? 0.0907 0.1279 0.0859 -0.0112 0.0191 0.0040 96 VAL B CB 2476 C CG1 . VAL B 96 ? 0.1144 0.1488 0.1268 -0.0141 0.0099 0.0176 96 VAL B CG1 2477 C CG2 . VAL B 96 ? 0.1214 0.1555 0.1148 -0.0260 0.0251 -0.0201 96 VAL B CG2 2478 N N . SER B 97 ? 0.0644 0.1044 0.0374 0.0070 0.0134 -0.0147 97 SER B N 2479 C CA . SER B 97 ? 0.0809 0.1085 0.0386 -0.0034 0.0172 -0.0163 97 SER B CA 2480 C C . SER B 97 ? 0.0762 0.1028 0.0367 0.0056 0.0108 -0.0113 97 SER B C 2481 O O . SER B 97 ? 0.0710 0.1270 0.0496 0.0010 0.0193 -0.0207 97 SER B O 2482 C CB . SER B 97 ? 0.1023 0.1200 0.0601 -0.0036 0.0108 -0.0238 97 SER B CB 2483 O OG . SER B 97 ? 0.1309 0.1150 0.0768 -0.0144 0.0070 -0.0062 97 SER B OG 2484 N N . TRP B 98 ? 0.0779 0.1098 0.0451 -0.0095 0.0157 -0.0121 98 TRP B N 2485 C CA . TRP B 98 ? 0.0835 0.1079 0.0415 0.0114 0.0143 0.0087 98 TRP B CA 2486 C C . TRP B 98 ? 0.0851 0.0973 0.0525 0.0026 0.0161 -0.0024 98 TRP B C 2487 O O . TRP B 98 ? 0.1003 0.1020 0.0574 0.0010 0.0205 -0.0138 98 TRP B O 2488 C CB . TRP B 98 ? 0.1018 0.1174 0.0434 0.0110 0.0169 -0.0027 98 TRP B CB 2489 C CG . TRP B 98 ? 0.1101 0.1116 0.0606 0.0022 0.0177 -0.0109 98 TRP B CG 2490 C CD1 . TRP B 98 ? 0.1107 0.1150 0.0604 0.0191 0.0150 0.0076 98 TRP B CD1 2491 C CD2 . TRP B 98 ? 0.1136 0.1238 0.0634 0.0122 0.0203 0.0015 98 TRP B CD2 2492 N NE1 . TRP B 98 ? 0.1259 0.1437 0.0573 0.0198 0.0183 0.0054 98 TRP B NE1 2493 C CE2 . TRP B 98 ? 0.1246 0.1346 0.0657 0.0337 0.0369 0.0086 98 TRP B CE2 2494 C CE3 . TRP B 98 ? 0.1106 0.1339 0.0780 0.0156 0.0273 -0.0064 98 TRP B CE3 2495 C CZ2 . TRP B 98 ? 0.1355 0.1319 0.0737 0.0339 0.0468 0.0062 98 TRP B CZ2 2496 C CZ3 . TRP B 98 ? 0.1134 0.1467 0.0806 0.0255 0.0385 0.0017 98 TRP B CZ3 2497 C CH2 . TRP B 98 ? 0.1215 0.1286 0.0717 0.0403 0.0421 0.0114 98 TRP B CH2 2498 N N . GLU B 99 ? 0.0993 0.1198 0.0521 0.0149 0.0331 -0.0010 99 GLU B N 2499 C CA . GLU B 99 ? 0.1364 0.1470 0.0765 0.0071 0.0334 -0.0015 99 GLU B CA 2500 C C . GLU B 99 ? 0.1258 0.1618 0.0742 -0.0042 0.0405 -0.0074 99 GLU B C 2501 O O . GLU B 99 ? 0.1134 0.1668 0.0837 -0.0059 0.0450 -0.0242 99 GLU B O 2502 C CB . GLU B 99 ? 0.1735 0.1469 0.1177 -0.0065 0.0443 0.0242 99 GLU B CB 2503 C CG . GLU B 99 ? 0.1965 0.1957 0.1709 -0.0008 0.0229 0.0547 99 GLU B CG 2504 C CD . GLU B 99 ? 0.2265 0.2176 0.2291 -0.0166 -0.0030 0.0654 99 GLU B CD 2505 O OE1 . GLU B 99 ? 0.2136 0.2046 0.2062 -0.0204 -0.0155 0.0625 99 GLU B OE1 2506 O OE2 . GLU B 99 ? 0.2615 0.2571 0.2820 -0.0211 -0.0188 0.0568 99 GLU B OE2 2507 N N . SER B 100 ? 0.1197 0.1429 0.0594 0.0006 0.0095 0.0018 100 SER B N 2508 C CA . SER B 100 ? 0.1216 0.1596 0.0635 0.0110 0.0191 0.0059 100 SER B CA 2509 C C . SER B 100 ? 0.1100 0.1387 0.0455 -0.0037 0.0127 -0.0046 100 SER B C 2510 O O . SER B 100 ? 0.1115 0.1305 0.0620 0.0049 0.0031 -0.0041 100 SER B O 2511 C CB . SER B 100 ? 0.1238 0.1661 0.0878 0.0258 0.0132 -0.0071 100 SER B CB 2512 O OG . SER B 100 ? 0.1199 0.1718 0.1026 0.0264 0.0069 -0.0140 100 SER B OG 2513 N N . SER B 101 ? 0.1124 0.1519 0.0505 0.0013 0.0271 0.0094 101 SER B N 2514 C CA . SER B 101 ? 0.1347 0.1843 0.0599 -0.0106 0.0276 0.0026 101 SER B CA 2515 C C . SER B 101 ? 0.1302 0.1781 0.0507 0.0052 0.0190 0.0054 101 SER B C 2516 O O . SER B 101 ? 0.1563 0.2030 0.0589 0.0255 0.0183 -0.0048 101 SER B O 2517 C CB . SER B 101 ? 0.1796 0.2137 0.0983 -0.0219 0.0205 0.0168 101 SER B CB 2518 O OG . SER B 101 ? 0.2203 0.2121 0.1393 -0.0189 0.0048 0.0284 101 SER B OG 2519 N N . SER B 102 ? 0.1135 0.1729 0.0557 0.0280 0.0224 0.0024 102 SER B N 2520 C CA . SER B 102 ? 0.1229 0.1626 0.0540 0.0250 0.0217 0.0033 102 SER B CA 2521 C C . SER B 102 ? 0.1042 0.1645 0.0584 0.0118 0.0101 0.0020 102 SER B C 2522 O O . SER B 102 ? 0.1071 0.1615 0.0652 0.0050 -0.0082 0.0076 102 SER B O 2523 C CB . SER B 102 ? 0.1414 0.1573 0.0539 0.0378 0.0137 0.0087 102 SER B CB 2524 O OG . SER B 102 ? 0.1472 0.1607 0.0587 0.0472 0.0196 0.0053 102 SER B OG 2525 N N . GLY B 103 ? 0.0900 0.1430 0.0584 0.0071 0.0240 0.0036 103 GLY B N 2526 C CA . GLY B 103 ? 0.0814 0.1229 0.0557 0.0192 0.0213 -0.0104 103 GLY B CA 2527 C C . GLY B 103 ? 0.0789 0.1137 0.0555 0.0234 0.0196 -0.0045 103 GLY B C 2528 O O . GLY B 103 ? 0.0868 0.1089 0.0618 0.0274 0.0145 0.0194 103 GLY B O 2529 N N . ILE B 104 ? 0.0672 0.1293 0.0561 0.0285 0.0152 -0.0138 104 ILE B N 2530 C CA . ILE B 104 ? 0.0642 0.1124 0.0597 0.0273 0.0032 -0.0132 104 ILE B CA 2531 C C . ILE B 104 ? 0.0726 0.1116 0.0632 0.0275 0.0149 -0.0238 104 ILE B C 2532 O O . ILE B 104 ? 0.0783 0.1320 0.0655 0.0009 0.0167 -0.0189 104 ILE B O 2533 C CB . ILE B 104 ? 0.0846 0.1525 0.0694 0.0402 -0.0028 0.0116 104 ILE B CB 2534 C CG1 . ILE B 104 ? 0.1058 0.2101 0.0813 0.0290 -0.0085 0.0102 104 ILE B CG1 2535 C CG2 . ILE B 104 ? 0.1083 0.1665 0.0854 0.0542 0.0095 0.0088 104 ILE B CG2 2536 C CD1 . ILE B 104 ? 0.1301 0.2348 0.0892 0.0157 -0.0031 -0.0044 104 ILE B CD1 2537 N N . ALA B 105 ? 0.0790 0.1093 0.0582 0.0087 0.0108 -0.0217 105 ALA B N 2538 C CA . ALA B 105 ? 0.0954 0.1102 0.0643 0.0208 0.0071 -0.0133 105 ALA B CA 2539 C C . ALA B 105 ? 0.0860 0.1087 0.0620 0.0134 0.0149 0.0032 105 ALA B C 2540 O O . ALA B 105 ? 0.1018 0.1163 0.0783 -0.0027 0.0045 -0.0318 105 ALA B O 2541 C CB . ALA B 105 ? 0.1232 0.1146 0.0767 0.0334 0.0250 -0.0049 105 ALA B CB 2542 N N . GLU B 106 ? 0.0792 0.1016 0.0586 0.0171 0.0073 -0.0034 106 GLU B N 2543 C CA . GLU B 106 ? 0.0951 0.1196 0.0772 0.0266 0.0110 -0.0197 106 GLU B CA 2544 C C . GLU B 106 ? 0.0783 0.1450 0.0704 0.0182 0.0075 -0.0139 106 GLU B C 2545 O O . GLU B 106 ? 0.0745 0.2164 0.0933 -0.0034 0.0256 -0.0187 106 GLU B O 2546 C CB . GLU B 106 ? 0.1431 0.1546 0.1144 0.0313 0.0200 0.0014 106 GLU B CB 2547 C CG . GLU B 106 ? 0.1879 0.1815 0.1358 0.0015 0.0252 0.0089 106 GLU B CG 2548 C CD . GLU B 106 ? 0.2428 0.2133 0.1600 0.0047 0.0374 0.0291 106 GLU B CD 2549 O OE1 . GLU B 106 ? 0.2560 0.2029 0.1762 0.0007 0.0430 0.0425 106 GLU B OE1 2550 O OE2 . GLU B 106 ? 0.2754 0.2712 0.1705 0.0168 0.0360 0.0348 106 GLU B OE2 2551 N N . PHE B 107 ? 0.0686 0.1201 0.0678 0.0150 0.0077 -0.0305 107 PHE B N 2552 C CA . PHE B 107 ? 0.0689 0.0970 0.0537 0.0156 -0.0029 -0.0079 107 PHE B CA 2553 C C . PHE B 107 ? 0.0707 0.0850 0.0440 0.0280 -0.0058 -0.0067 107 PHE B C 2554 O O . PHE B 107 ? 0.0874 0.1095 0.0515 0.0318 0.0042 -0.0029 107 PHE B O 2555 C CB . PHE B 107 ? 0.0775 0.1018 0.0775 0.0096 0.0107 -0.0005 107 PHE B CB 2556 C CG . PHE B 107 ? 0.0781 0.0884 0.0979 0.0185 0.0160 0.0036 107 PHE B CG 2557 C CD1 . PHE B 107 ? 0.0985 0.0975 0.1105 0.0138 0.0111 0.0335 107 PHE B CD1 2558 C CD2 . PHE B 107 ? 0.0985 0.0880 0.1141 0.0050 0.0146 -0.0040 107 PHE B CD2 2559 C CE1 . PHE B 107 ? 0.1061 0.0988 0.1177 0.0133 0.0101 0.0500 107 PHE B CE1 2560 C CE2 . PHE B 107 ? 0.0983 0.0697 0.1183 0.0094 0.0262 0.0052 107 PHE B CE2 2561 C CZ . PHE B 107 ? 0.1005 0.0853 0.1190 0.0038 0.0197 0.0378 107 PHE B CZ 2562 N N . TRP B 108 ? 0.0808 0.0971 0.0547 0.0273 0.0023 -0.0115 108 TRP B N 2563 C CA . TRP B 108 ? 0.0934 0.0809 0.0496 0.0046 0.0122 -0.0029 108 TRP B CA 2564 C C . TRP B 108 ? 0.0851 0.1010 0.0468 0.0197 0.0058 0.0040 108 TRP B C 2565 O O . TRP B 108 ? 0.0784 0.1373 0.0523 0.0266 -0.0016 0.0186 108 TRP B O 2566 C CB . TRP B 108 ? 0.1391 0.0721 0.0570 0.0099 0.0234 0.0015 108 TRP B CB 2567 C CG . TRP B 108 ? 0.1785 0.1020 0.0602 0.0051 0.0185 0.0015 108 TRP B CG 2568 C CD1 . TRP B 108 ? 0.2015 0.1350 0.0676 -0.0014 0.0189 0.0322 108 TRP B CD1 2569 C CD2 . TRP B 108 ? 0.1803 0.1193 0.0620 -0.0156 -0.0093 0.0149 108 TRP B CD2 2570 N NE1 . TRP B 108 ? 0.2112 0.1631 0.0785 -0.0168 0.0257 0.0378 108 TRP B NE1 2571 C CE2 . TRP B 108 ? 0.1967 0.1506 0.0716 -0.0263 -0.0007 0.0330 108 TRP B CE2 2572 C CE3 . TRP B 108 ? 0.1807 0.1327 0.0730 -0.0145 -0.0235 0.0412 108 TRP B CE3 2573 C CZ2 . TRP B 108 ? 0.2155 0.1850 0.0848 -0.0446 -0.0112 0.0227 108 TRP B CZ2 2574 C CZ3 . TRP B 108 ? 0.2026 0.1815 0.0783 -0.0283 -0.0149 0.0474 108 TRP B CZ3 2575 C CH2 . TRP B 108 ? 0.2073 0.1860 0.0809 -0.0434 -0.0103 0.0354 108 TRP B CH2 2576 N N . ILE B 109 ? 0.0974 0.1051 0.0388 0.0258 0.0090 0.0153 109 ILE B N 2577 C CA . ILE B 109 ? 0.0936 0.0985 0.0331 0.0187 -0.0062 0.0103 109 ILE B CA 2578 C C . ILE B 109 ? 0.0995 0.1144 0.0484 0.0542 -0.0068 0.0048 109 ILE B C 2579 O O . ILE B 109 ? 0.1298 0.1643 0.0638 0.0749 -0.0116 -0.0007 109 ILE B O 2580 C CB . ILE B 109 ? 0.1252 0.1293 0.0573 -0.0064 -0.0005 0.0056 109 ILE B CB 2581 C CG1 . ILE B 109 ? 0.1409 0.1391 0.0719 -0.0106 -0.0159 0.0208 109 ILE B CG1 2582 C CG2 . ILE B 109 ? 0.1286 0.1702 0.0627 -0.0278 0.0149 -0.0082 109 ILE B CG2 2583 C CD1 . ILE B 109 ? 0.1568 0.1282 0.1032 -0.0035 -0.0223 0.0377 109 ILE B CD1 2584 N N . ASN B 110 ? 0.1156 0.1193 0.0501 0.0688 -0.0106 -0.0110 110 ASN B N 2585 C CA . ASN B 110 ? 0.1362 0.1692 0.0670 0.0882 -0.0061 -0.0102 110 ASN B CA 2586 C C . ASN B 110 ? 0.1702 0.1651 0.0775 0.0904 -0.0296 -0.0214 110 ASN B C 2587 O O . ASN B 110 ? 0.2045 0.1746 0.0946 0.1059 -0.0374 -0.0244 110 ASN B O 2588 C CB . ASN B 110 ? 0.1283 0.2144 0.0779 0.0876 0.0023 -0.0092 110 ASN B CB 2589 C CG . ASN B 110 ? 0.1246 0.2413 0.0901 0.0795 0.0182 0.0035 110 ASN B CG 2590 O OD1 . ASN B 110 ? 0.1151 0.2175 0.0830 0.0760 0.0104 0.0032 110 ASN B OD1 2591 N ND2 . ASN B 110 ? 0.1348 0.2777 0.1097 0.0642 0.0121 0.0175 110 ASN B ND2 2592 N N . GLY B 111 ? 0.1798 0.1406 0.0692 0.0785 -0.0242 -0.0098 111 GLY B N 2593 C CA . GLY B 111 ? 0.1941 0.1386 0.0849 0.0766 -0.0270 0.0054 111 GLY B CA 2594 C C . GLY B 111 ? 0.2119 0.1755 0.0895 0.0808 -0.0207 0.0181 111 GLY B C 2595 O O . GLY B 111 ? 0.2494 0.2007 0.1094 0.0528 -0.0208 0.0561 111 GLY B O 2596 N N A THR B 112 ? 0.1910 0.1865 0.0805 0.0819 -0.0225 0.0058 112 THR B N 2597 N N B THR B 112 ? 0.1930 0.1719 0.0763 0.0767 -0.0203 0.0073 112 THR B N 2598 C CA A THR B 112 ? 0.1819 0.1949 0.0869 0.0973 -0.0178 -0.0012 112 THR B CA 2599 C CA B THR B 112 ? 0.1776 0.1595 0.0722 0.0777 -0.0183 0.0037 112 THR B CA 2600 C C A THR B 112 ? 0.1556 0.1450 0.0625 0.0815 -0.0073 0.0002 112 THR B C 2601 C C B THR B 112 ? 0.1584 0.1329 0.0608 0.0710 -0.0123 0.0011 112 THR B C 2602 O O A THR B 112 ? 0.1429 0.1454 0.0612 0.0830 0.0069 0.0102 112 THR B O 2603 O O B THR B 112 ? 0.1553 0.1392 0.0629 0.0770 -0.0060 0.0054 112 THR B O 2604 C CB A THR B 112 ? 0.1934 0.2427 0.1256 0.1109 -0.0111 -0.0297 112 THR B CB 2605 C CB B THR B 112 ? 0.1809 0.1767 0.0790 0.0829 -0.0162 -0.0101 112 THR B CB 2606 O OG1 A THR B 112 ? 0.2045 0.2718 0.1613 0.1311 0.0028 -0.0319 112 THR B OG1 2607 O OG1 B THR B 112 ? 0.2064 0.2027 0.1094 0.0853 -0.0143 0.0132 112 THR B OG1 2608 C CG2 A THR B 112 ? 0.1971 0.2560 0.1349 0.1087 -0.0243 -0.0094 112 THR B CG2 2609 C CG2 B THR B 112 ? 0.1513 0.1551 0.0667 0.0899 -0.0166 -0.0161 112 THR B CG2 2610 N N . PRO B 113 ? 0.1451 0.1036 0.0500 0.0497 -0.0118 0.0031 113 PRO B N 2611 C CA . PRO B 113 ? 0.1321 0.0901 0.0465 0.0243 -0.0045 0.0086 113 PRO B CA 2612 C C . PRO B 113 ? 0.1096 0.0685 0.0474 0.0300 -0.0063 0.0159 113 PRO B C 2613 O O . PRO B 113 ? 0.1255 0.0972 0.0564 0.0376 -0.0135 0.0190 113 PRO B O 2614 C CB . PRO B 113 ? 0.1458 0.0956 0.0460 -0.0019 0.0036 0.0154 113 PRO B CB 2615 C CG . PRO B 113 ? 0.1568 0.1101 0.0508 0.0074 -0.0017 0.0163 113 PRO B CG 2616 C CD . PRO B 113 ? 0.1491 0.0979 0.0498 0.0315 -0.0161 0.0047 113 PRO B CD 2617 N N . LEU B 114 ? 0.0940 0.0463 0.0465 0.0223 0.0079 0.0056 114 LEU B N 2618 C CA . LEU B 114 ? 0.0913 0.0778 0.0405 0.0032 -0.0004 0.0264 114 LEU B CA 2619 C C . LEU B 114 ? 0.0806 0.0861 0.0420 0.0016 -0.0002 0.0203 114 LEU B C 2620 O O . LEU B 114 ? 0.1102 0.0996 0.0426 -0.0067 0.0004 0.0267 114 LEU B O 2621 C CB . LEU B 114 ? 0.0879 0.0937 0.0405 -0.0142 -0.0087 0.0256 114 LEU B CB 2622 C CG . LEU B 114 ? 0.1285 0.1329 0.0498 0.0253 0.0024 0.0270 114 LEU B CG 2623 C CD1 . LEU B 114 ? 0.1240 0.1351 0.0519 0.0259 0.0001 0.0295 114 LEU B CD1 2624 C CD2 . LEU B 114 ? 0.1465 0.1712 0.0609 0.0153 0.0094 0.0379 114 LEU B CD2 2625 N N . VAL B 115 ? 0.0602 0.0929 0.0441 0.0163 0.0094 0.0182 115 VAL B N 2626 C CA . VAL B 115 ? 0.0821 0.0960 0.0450 0.0166 0.0043 0.0052 115 VAL B CA 2627 C C . VAL B 115 ? 0.0868 0.1068 0.0409 0.0115 -0.0042 -0.0022 115 VAL B C 2628 O O . VAL B 115 ? 0.0903 0.1302 0.0513 0.0271 -0.0074 0.0263 115 VAL B O 2629 C CB . VAL B 115 ? 0.0921 0.0978 0.0505 0.0048 0.0027 0.0116 115 VAL B CB 2630 C CG1 . VAL B 115 ? 0.1156 0.1019 0.0508 -0.0073 0.0132 -0.0085 115 VAL B CG1 2631 C CG2 . VAL B 115 ? 0.0827 0.1376 0.0497 0.0180 -0.0097 0.0226 115 VAL B CG2 2632 N N . LYS B 116 ? 0.0833 0.1072 0.0327 0.0264 0.0019 0.0035 116 LYS B N 2633 C CA . LYS B 116 ? 0.1003 0.1337 0.0418 0.0297 0.0064 0.0085 116 LYS B CA 2634 C C . LYS B 116 ? 0.0986 0.1473 0.0509 0.0332 -0.0077 0.0100 116 LYS B C 2635 O O . LYS B 116 ? 0.1094 0.1705 0.0653 0.0323 -0.0092 -0.0131 116 LYS B O 2636 C CB . LYS B 116 ? 0.1252 0.1622 0.0567 0.0160 0.0118 0.0097 116 LYS B CB 2637 C CG . LYS B 116 ? 0.1521 0.1641 0.0829 0.0216 0.0270 0.0164 116 LYS B CG 2638 C CD . LYS B 116 ? 0.2046 0.1776 0.1126 0.0179 0.0499 0.0224 116 LYS B CD 2639 C CE . LYS B 116 ? 0.2556 0.2043 0.1392 0.0473 0.0452 0.0312 116 LYS B CE 2640 N NZ . LYS B 116 ? 0.2781 0.1820 0.1468 0.0786 0.0304 0.0467 116 LYS B NZ 2641 N N . LYS B 117 ? 0.0948 0.1312 0.0583 0.0212 0.0031 0.0130 117 LYS B N 2642 C CA . LYS B 117 ? 0.1146 0.1322 0.0658 0.0133 0.0135 -0.0026 117 LYS B CA 2643 C C . LYS B 117 ? 0.1003 0.1272 0.0725 0.0082 0.0163 -0.0136 117 LYS B C 2644 O O . LYS B 117 ? 0.1148 0.1708 0.1003 0.0085 0.0335 -0.0554 117 LYS B O 2645 C CB . LYS B 117 ? 0.1177 0.1358 0.0501 0.0185 0.0014 -0.0038 117 LYS B CB 2646 C CG . LYS B 117 ? 0.1200 0.1512 0.0562 0.0134 0.0101 0.0094 117 LYS B CG 2647 C CD . LYS B 117 ? 0.1221 0.1849 0.0596 0.0236 0.0155 0.0106 117 LYS B CD 2648 C CE . LYS B 117 ? 0.1290 0.1994 0.0551 -0.0028 0.0161 0.0073 117 LYS B CE 2649 N NZ . LYS B 117 ? 0.1326 0.2128 0.0566 0.0006 0.0124 0.0020 117 LYS B NZ 2650 N N . GLY B 118 ? 0.0834 0.1199 0.0649 0.0027 0.0157 0.0123 118 GLY B N 2651 C CA . GLY B 118 ? 0.0747 0.1182 0.0579 0.0087 0.0126 0.0187 118 GLY B CA 2652 C C . GLY B 118 ? 0.0893 0.1346 0.0506 0.0259 0.0138 0.0084 118 GLY B C 2653 O O . GLY B 118 ? 0.1000 0.1840 0.0878 0.0169 -0.0019 -0.0038 118 GLY B O 2654 N N . LEU B 119 ? 0.0896 0.1100 0.0485 0.0284 0.0261 0.0070 119 LEU B N 2655 C CA . LEU B 119 ? 0.0907 0.0924 0.0511 0.0355 0.0133 -0.0033 119 LEU B CA 2656 C C . LEU B 119 ? 0.0874 0.0900 0.0544 0.0363 0.0144 -0.0148 119 LEU B C 2657 O O . LEU B 119 ? 0.0931 0.1085 0.0570 0.0268 0.0079 -0.0155 119 LEU B O 2658 C CB . LEU B 119 ? 0.0935 0.0630 0.0652 0.0290 0.0231 -0.0050 119 LEU B CB 2659 C CG . LEU B 119 ? 0.0864 0.0666 0.0649 0.0203 0.0256 0.0016 119 LEU B CG 2660 C CD1 . LEU B 119 ? 0.1133 0.0942 0.0732 0.0299 0.0164 0.0216 119 LEU B CD1 2661 C CD2 . LEU B 119 ? 0.0847 0.0926 0.0710 -0.0111 0.0257 0.0060 119 LEU B CD2 2662 N N . ARG B 120 ? 0.0861 0.0989 0.0588 0.0370 0.0104 -0.0194 120 ARG B N 2663 C CA . ARG B 120 ? 0.0939 0.1332 0.0600 0.0439 0.0122 -0.0182 120 ARG B CA 2664 C C . ARG B 120 ? 0.1049 0.1391 0.0615 0.0534 0.0127 -0.0123 120 ARG B C 2665 O O . ARG B 120 ? 0.1079 0.1632 0.0620 0.0355 0.0188 0.0092 120 ARG B O 2666 C CB . ARG B 120 ? 0.1033 0.1402 0.0510 0.0303 0.0080 -0.0230 120 ARG B CB 2667 C CG . ARG B 120 ? 0.1243 0.1602 0.0601 0.0346 0.0114 -0.0257 120 ARG B CG 2668 C CD . ARG B 120 ? 0.1459 0.1641 0.0671 0.0404 -0.0007 -0.0080 120 ARG B CD 2669 N NE . ARG B 120 ? 0.1654 0.1915 0.0792 0.0516 0.0043 -0.0130 120 ARG B NE 2670 C CZ . ARG B 120 ? 0.1903 0.1946 0.0986 0.0785 0.0272 -0.0103 120 ARG B CZ 2671 N NH1 . ARG B 120 ? 0.2225 0.2156 0.1170 0.0799 0.0388 -0.0178 120 ARG B NH1 2672 N NH2 . ARG B 120 ? 0.1934 0.1970 0.1025 0.0851 0.0263 -0.0201 120 ARG B NH2 2673 N N . GLN B 121 ? 0.1106 0.1626 0.0614 0.0293 0.0067 -0.0309 121 GLN B N 2674 C CA . GLN B 121 ? 0.1122 0.1447 0.0560 0.0310 0.0163 -0.0219 121 GLN B CA 2675 C C . GLN B 121 ? 0.1214 0.1537 0.0643 0.0212 0.0266 -0.0286 121 GLN B C 2676 O O . GLN B 121 ? 0.1392 0.1729 0.0725 0.0212 0.0350 -0.0292 121 GLN B O 2677 C CB . GLN B 121 ? 0.1273 0.1523 0.0519 0.0381 0.0106 -0.0139 121 GLN B CB 2678 C CG . GLN B 121 ? 0.1444 0.1973 0.0559 0.0273 0.0131 -0.0026 121 GLN B CG 2679 C CD . GLN B 121 ? 0.1821 0.2280 0.0632 0.0176 0.0057 -0.0050 121 GLN B CD 2680 O OE1 . GLN B 121 ? 0.2058 0.2539 0.0729 0.0079 -0.0161 0.0166 121 GLN B OE1 2681 N NE2 . GLN B 121 ? 0.1903 0.2424 0.0744 0.0267 0.0160 -0.0135 121 GLN B NE2 2682 N N . GLY B 122 ? 0.1128 0.1668 0.0729 0.0202 0.0345 -0.0238 122 GLY B N 2683 C CA . GLY B 122 ? 0.1205 0.1764 0.0721 0.0167 0.0326 -0.0278 122 GLY B CA 2684 C C . GLY B 122 ? 0.1184 0.1931 0.0691 0.0201 0.0282 -0.0201 122 GLY B C 2685 O O . GLY B 122 ? 0.1323 0.2401 0.0861 0.0303 0.0376 -0.0012 122 GLY B O 2686 N N . TYR B 123 ? 0.1284 0.1844 0.0665 0.0278 0.0223 -0.0257 123 TYR B N 2687 C CA . TYR B 123 ? 0.1160 0.1760 0.0706 0.0384 0.0245 -0.0198 123 TYR B CA 2688 C C . TYR B 123 ? 0.1126 0.1778 0.0744 0.0300 0.0300 -0.0085 123 TYR B C 2689 O O . TYR B 123 ? 0.1252 0.1665 0.0902 0.0309 0.0128 -0.0133 123 TYR B O 2690 C CB . TYR B 123 ? 0.1302 0.1587 0.0743 0.0371 0.0257 -0.0065 123 TYR B CB 2691 C CG . TYR B 123 ? 0.1390 0.1606 0.0815 0.0290 0.0095 -0.0150 123 TYR B CG 2692 C CD1 . TYR B 123 ? 0.1775 0.1824 0.0874 0.0495 0.0004 -0.0265 123 TYR B CD1 2693 C CD2 . TYR B 123 ? 0.1049 0.1512 0.0819 0.0205 0.0089 -0.0291 123 TYR B CD2 2694 C CE1 . TYR B 123 ? 0.1833 0.1717 0.0904 0.0556 -0.0138 -0.0334 123 TYR B CE1 2695 C CE2 . TYR B 123 ? 0.1191 0.1461 0.0903 0.0209 0.0067 -0.0403 123 TYR B CE2 2696 C CZ . TYR B 123 ? 0.1687 0.1706 0.1018 0.0431 -0.0030 -0.0197 123 TYR B CZ 2697 O OH . TYR B 123 ? 0.1988 0.1764 0.1114 0.0362 -0.0094 -0.0141 123 TYR B OH 2698 N N . PHE B 124 ? 0.1007 0.2087 0.0717 0.0258 0.0181 -0.0169 124 PHE B N 2699 C CA . PHE B 124 ? 0.1445 0.2474 0.0895 0.0045 0.0170 0.0004 124 PHE B CA 2700 C C . PHE B 124 ? 0.1432 0.2077 0.0837 0.0041 0.0116 0.0107 124 PHE B C 2701 O O . PHE B 124 ? 0.1418 0.2171 0.0905 0.0240 0.0111 0.0130 124 PHE B O 2702 C CB . PHE B 124 ? 0.2003 0.3401 0.1226 -0.0502 0.0130 0.0245 124 PHE B CB 2703 C CG . PHE B 124 ? 0.2632 0.4183 0.1670 -0.0793 0.0165 0.0472 124 PHE B CG 2704 C CD1 . PHE B 124 ? 0.2905 0.4560 0.1901 -0.0933 0.0258 0.0623 124 PHE B CD1 2705 C CD2 . PHE B 124 ? 0.2882 0.4557 0.1926 -0.0864 0.0205 0.0655 124 PHE B CD2 2706 C CE1 . PHE B 124 ? 0.3020 0.4734 0.2033 -0.0995 0.0284 0.0603 124 PHE B CE1 2707 C CE2 . PHE B 124 ? 0.3011 0.4746 0.2007 -0.0945 0.0235 0.0652 124 PHE B CE2 2708 C CZ . PHE B 124 ? 0.3064 0.4801 0.2039 -0.0956 0.0238 0.0593 124 PHE B CZ 2709 N N . VAL B 125 ? 0.1317 0.1507 0.0663 -0.0105 0.0101 0.0193 125 VAL B N 2710 C CA . VAL B 125 ? 0.1188 0.1591 0.0750 -0.0114 0.0167 0.0068 125 VAL B CA 2711 C C . VAL B 125 ? 0.1082 0.1679 0.0731 -0.0034 0.0172 0.0039 125 VAL B C 2712 O O . VAL B 125 ? 0.1008 0.1788 0.0871 -0.0234 0.0099 0.0249 125 VAL B O 2713 C CB . VAL B 125 ? 0.1097 0.1547 0.1015 -0.0053 0.0236 0.0045 125 VAL B CB 2714 C CG1 . VAL B 125 ? 0.1158 0.1769 0.1086 0.0002 0.0189 -0.0073 125 VAL B CG1 2715 C CG2 . VAL B 125 ? 0.1246 0.1847 0.1242 0.0126 0.0192 0.0145 125 VAL B CG2 2716 N N . GLU B 126 ? 0.1008 0.1777 0.0595 0.0174 0.0083 -0.0025 126 GLU B N 2717 C CA . GLU B 126 ? 0.1268 0.1948 0.0833 0.0158 0.0254 -0.0177 126 GLU B CA 2718 C C . GLU B 126 ? 0.1079 0.1747 0.0834 0.0161 0.0274 -0.0026 126 GLU B C 2719 O O . GLU B 126 ? 0.0990 0.1401 0.0745 0.0137 0.0301 0.0000 126 GLU B O 2720 C CB . GLU B 126 ? 0.1781 0.2087 0.1099 0.0175 0.0311 -0.0453 126 GLU B CB 2721 C CG . GLU B 126 ? 0.2438 0.2585 0.1459 0.0286 0.0300 -0.0570 126 GLU B CG 2722 C CD . GLU B 126 ? 0.3146 0.3456 0.1895 0.0184 0.0348 -0.0576 126 GLU B CD 2723 O OE1 . GLU B 126 ? 0.3440 0.3688 0.2037 0.0107 0.0394 -0.0716 126 GLU B OE1 2724 O OE2 . GLU B 126 ? 0.3373 0.3893 0.2126 0.0263 0.0401 -0.0512 126 GLU B OE2 2725 N N . ALA B 127 ? 0.1188 0.1898 0.1030 0.0134 0.0382 0.0012 127 ALA B N 2726 C CA . ALA B 127 ? 0.1024 0.1898 0.1092 0.0116 0.0420 0.0012 127 ALA B CA 2727 C C . ALA B 127 ? 0.0970 0.1731 0.1078 0.0015 0.0446 -0.0072 127 ALA B C 2728 O O . ALA B 127 ? 0.1057 0.1927 0.1113 0.0162 0.0343 -0.0351 127 ALA B O 2729 C CB . ALA B 127 ? 0.1116 0.2217 0.1169 0.0075 0.0404 0.0134 127 ALA B CB 2730 N N . GLN B 128 ? 0.0822 0.1584 0.1078 -0.0036 0.0348 -0.0066 128 GLN B N 2731 C CA . GLN B 128 ? 0.0778 0.1513 0.1105 0.0042 0.0304 0.0067 128 GLN B CA 2732 C C . GLN B 128 ? 0.0891 0.1415 0.0982 0.0030 0.0261 -0.0078 128 GLN B C 2733 O O . GLN B 128 ? 0.1037 0.1539 0.1049 0.0169 0.0427 -0.0091 128 GLN B O 2734 C CB . GLN B 128 ? 0.0757 0.1972 0.1527 -0.0066 0.0330 0.0182 128 GLN B CB 2735 C CG . GLN B 128 ? 0.1123 0.2308 0.2056 0.0004 0.0289 0.0145 128 GLN B CG 2736 C CD . GLN B 128 ? 0.1710 0.3109 0.2702 0.0188 0.0346 0.0222 128 GLN B CD 2737 O OE1 . GLN B 128 ? 0.1930 0.3473 0.3088 0.0405 0.0290 0.0403 128 GLN B OE1 2738 N NE2 . GLN B 128 ? 0.1951 0.3306 0.2903 0.0466 0.0491 0.0034 128 GLN B NE2 2739 N N . PRO B 129 ? 0.0803 0.1298 0.0988 -0.0005 0.0265 -0.0108 129 PRO B N 2740 C CA . PRO B 129 ? 0.0843 0.1238 0.0916 -0.0002 0.0268 -0.0136 129 PRO B CA 2741 C C . PRO B 129 ? 0.0999 0.1182 0.0812 0.0091 0.0183 -0.0294 129 PRO B C 2742 O O . PRO B 129 ? 0.1179 0.1612 0.0939 -0.0319 0.0350 -0.0265 129 PRO B O 2743 C CB . PRO B 129 ? 0.0801 0.1194 0.1036 -0.0039 0.0145 -0.0134 129 PRO B CB 2744 C CG . PRO B 129 ? 0.0890 0.1374 0.1120 0.0053 0.0210 -0.0070 129 PRO B CG 2745 C CD . PRO B 129 ? 0.0907 0.1227 0.1144 -0.0049 0.0327 -0.0100 129 PRO B CD 2746 N N . LYS B 130 ? 0.0970 0.0839 0.0662 0.0089 0.0076 -0.0348 130 LYS B N 2747 C CA . LYS B 130 ? 0.0866 0.0783 0.0664 0.0203 0.0014 -0.0241 130 LYS B CA 2748 C C . LYS B 130 ? 0.0741 0.0957 0.0558 0.0051 0.0063 -0.0127 130 LYS B C 2749 O O . LYS B 130 ? 0.0734 0.0951 0.0708 0.0122 0.0002 -0.0221 130 LYS B O 2750 C CB . LYS B 130 ? 0.1260 0.1389 0.1193 0.0385 -0.0027 -0.0317 130 LYS B CB 2751 C CG . LYS B 130 ? 0.1687 0.1992 0.1604 0.0661 -0.0125 -0.0448 130 LYS B CG 2752 C CD . LYS B 130 ? 0.2109 0.2542 0.2150 0.0615 -0.0241 -0.0306 130 LYS B CD 2753 C CE . LYS B 130 ? 0.2550 0.3189 0.2486 0.0579 -0.0433 -0.0102 130 LYS B CE 2754 N NZ . LYS B 130 ? 0.2846 0.3563 0.2750 0.0577 -0.0453 0.0029 130 LYS B NZ 2755 N N . ILE B 131 ? 0.0634 0.0889 0.0568 0.0048 0.0153 -0.0122 131 ILE B N 2756 C CA . ILE B 131 ? 0.0561 0.0841 0.0496 -0.0037 0.0224 -0.0169 131 ILE B CA 2757 C C . ILE B 131 ? 0.0710 0.0851 0.0406 -0.0056 0.0167 -0.0234 131 ILE B C 2758 O O . ILE B 131 ? 0.0740 0.1031 0.0528 -0.0108 0.0182 -0.0125 131 ILE B O 2759 C CB . ILE B 131 ? 0.0711 0.0842 0.0629 -0.0142 0.0302 -0.0223 131 ILE B CB 2760 C CG1 . ILE B 131 ? 0.1014 0.0949 0.0719 -0.0235 0.0437 -0.0249 131 ILE B CG1 2761 C CG2 . ILE B 131 ? 0.0751 0.0853 0.0848 -0.0069 0.0171 -0.0077 131 ILE B CG2 2762 C CD1 . ILE B 131 ? 0.1243 0.1234 0.0831 -0.0115 0.0567 -0.0033 131 ILE B CD1 2763 N N . VAL B 132 ? 0.0660 0.0633 0.0349 -0.0066 0.0093 -0.0224 132 VAL B N 2764 C CA . VAL B 132 ? 0.0796 0.0647 0.0376 -0.0093 0.0225 -0.0141 132 VAL B CA 2765 C C . VAL B 132 ? 0.0824 0.0626 0.0292 0.0002 0.0142 -0.0106 132 VAL B C 2766 O O . VAL B 132 ? 0.0872 0.0936 0.0310 0.0020 0.0174 -0.0079 132 VAL B O 2767 C CB . VAL B 132 ? 0.0945 0.0675 0.0479 0.0144 0.0323 -0.0003 132 VAL B CB 2768 C CG1 . VAL B 132 ? 0.1147 0.0677 0.0594 0.0142 0.0419 0.0097 132 VAL B CG1 2769 C CG2 . VAL B 132 ? 0.1040 0.1112 0.0674 0.0413 0.0282 -0.0091 132 VAL B CG2 2770 N N . LEU B 133 ? 0.0832 0.0773 0.0324 -0.0019 0.0106 -0.0110 133 LEU B N 2771 C CA . LEU B 133 ? 0.0954 0.0794 0.0471 0.0072 0.0196 -0.0029 133 LEU B CA 2772 C C . LEU B 133 ? 0.0831 0.0679 0.0446 0.0182 0.0181 0.0014 133 LEU B C 2773 O O . LEU B 133 ? 0.0741 0.0891 0.0586 0.0101 0.0192 0.0111 133 LEU B O 2774 C CB . LEU B 133 ? 0.1106 0.0852 0.0486 -0.0021 0.0218 0.0072 133 LEU B CB 2775 C CG . LEU B 133 ? 0.1243 0.0864 0.0587 -0.0056 0.0220 0.0057 133 LEU B CG 2776 C CD1 . LEU B 133 ? 0.1327 0.0713 0.0750 0.0065 0.0392 0.0096 133 LEU B CD1 2777 C CD2 . LEU B 133 ? 0.1442 0.1187 0.0667 -0.0021 0.0145 0.0000 133 LEU B CD2 2778 N N . GLY B 134 ? 0.0724 0.0794 0.0246 0.0090 0.0082 -0.0032 134 GLY B N 2779 C CA . GLY B 134 ? 0.0698 0.0544 0.0263 0.0008 0.0108 -0.0098 134 GLY B CA 2780 C C . GLY B 134 ? 0.0880 0.0549 0.0465 0.0031 0.0223 0.0007 134 GLY B C 2781 O O . GLY B 134 ? 0.0807 0.0607 0.0588 0.0097 0.0181 0.0095 134 GLY B O 2782 N N . GLN B 135 ? 0.0997 0.0518 0.0526 0.0022 0.0343 -0.0088 135 GLN B N 2783 C CA . GLN B 135 ? 0.0954 0.0416 0.0494 -0.0102 0.0211 -0.0021 135 GLN B CA 2784 C C . GLN B 135 ? 0.0980 0.0344 0.0480 -0.0142 0.0316 -0.0050 135 GLN B C 2785 O O . GLN B 135 ? 0.1141 0.0515 0.0552 -0.0144 0.0214 -0.0001 135 GLN B O 2786 C CB . GLN B 135 ? 0.0851 0.0561 0.0595 0.0080 0.0136 -0.0027 135 GLN B CB 2787 C CG . GLN B 135 ? 0.0969 0.0649 0.0574 0.0199 0.0009 0.0073 135 GLN B CG 2788 C CD . GLN B 135 ? 0.0996 0.0720 0.0348 0.0152 0.0024 -0.0029 135 GLN B CD 2789 O OE1 . GLN B 135 ? 0.1105 0.0957 0.0534 -0.0095 0.0118 0.0005 135 GLN B OE1 2790 N NE2 . GLN B 135 ? 0.1047 0.0846 0.0304 0.0141 0.0052 -0.0046 135 GLN B NE2 2791 N N . GLU B 136 ? 0.1020 0.0621 0.0483 0.0047 0.0300 -0.0084 136 GLU B N 2792 C CA . GLU B 136 ? 0.0826 0.0491 0.0385 0.0188 0.0210 -0.0025 136 GLU B CA 2793 C C . GLU B 136 ? 0.0719 0.0574 0.0420 0.0080 0.0286 0.0070 136 GLU B C 2794 O O . GLU B 136 ? 0.0981 0.0796 0.0481 0.0101 0.0183 0.0275 136 GLU B O 2795 C CB . GLU B 136 ? 0.0975 0.0492 0.0523 0.0254 0.0194 -0.0012 136 GLU B CB 2796 C CG . GLU B 136 ? 0.1085 0.0821 0.0515 0.0225 0.0046 0.0004 136 GLU B CG 2797 C CD . GLU B 136 ? 0.1114 0.0776 0.0441 0.0174 0.0031 0.0058 136 GLU B CD 2798 O OE1 . GLU B 136 ? 0.1031 0.0813 0.0483 -0.0019 0.0103 0.0038 136 GLU B OE1 2799 O OE2 . GLU B 136 ? 0.1195 0.1030 0.0465 0.0357 0.0183 0.0073 136 GLU B OE2 2800 N N . GLN B 137 ? 0.0679 0.0668 0.0422 0.0243 0.0232 0.0043 137 GLN B N 2801 C CA . GLN B 137 ? 0.0778 0.0632 0.0522 0.0291 0.0223 -0.0034 137 GLN B CA 2802 C C . GLN B 137 ? 0.0842 0.0505 0.0455 0.0223 0.0197 -0.0063 137 GLN B C 2803 O O . GLN B 137 ? 0.0972 0.0556 0.0488 0.0134 0.0150 -0.0099 137 GLN B O 2804 C CB . GLN B 137 ? 0.0792 0.0510 0.0651 0.0274 0.0270 0.0019 137 GLN B CB 2805 C CG . GLN B 137 ? 0.0803 0.0732 0.0774 0.0233 0.0229 -0.0117 137 GLN B CG 2806 C CD . GLN B 137 ? 0.0731 0.0818 0.0951 0.0338 0.0222 -0.0207 137 GLN B CD 2807 O OE1 . GLN B 137 ? 0.0777 0.0957 0.1371 0.0387 0.0168 0.0031 137 GLN B OE1 2808 N NE2 . GLN B 137 ? 0.0707 0.0760 0.0863 0.0351 0.0199 -0.0125 137 GLN B NE2 2809 N N . ASP B 138 ? 0.0908 0.0516 0.0510 0.0282 0.0214 -0.0019 138 ASP B N 2810 C CA . ASP B 138 ? 0.1007 0.0638 0.0608 0.0178 0.0215 -0.0191 138 ASP B CA 2811 C C . ASP B 138 ? 0.1108 0.0879 0.0674 0.0257 0.0247 -0.0262 138 ASP B C 2812 O O . ASP B 138 ? 0.1364 0.1352 0.0945 0.0285 0.0344 -0.0461 138 ASP B O 2813 C CB . ASP B 138 ? 0.1135 0.0570 0.0573 0.0189 0.0230 -0.0137 138 ASP B CB 2814 C CG . ASP B 138 ? 0.1187 0.0605 0.0649 0.0010 0.0208 -0.0028 138 ASP B CG 2815 O OD1 . ASP B 138 ? 0.1110 0.0685 0.0525 0.0094 0.0146 -0.0035 138 ASP B OD1 2816 O OD2 . ASP B 138 ? 0.1167 0.0791 0.0908 -0.0014 0.0279 0.0129 138 ASP B OD2 2817 N N . SER B 139 ? 0.1065 0.0970 0.0863 0.0385 0.0277 -0.0121 139 SER B N 2818 C CA . SER B 139 ? 0.1030 0.0889 0.0996 0.0499 0.0236 0.0101 139 SER B CA 2819 C C . SER B 139 ? 0.0956 0.1080 0.1088 0.0474 0.0177 0.0093 139 SER B C 2820 O O . SER B 139 ? 0.1015 0.1076 0.1279 0.0399 0.0082 -0.0021 139 SER B O 2821 C CB . SER B 139 ? 0.1281 0.1171 0.1179 0.0542 0.0291 0.0120 139 SER B CB 2822 O OG . SER B 139 ? 0.1474 0.1586 0.1199 0.0545 0.0355 0.0155 139 SER B OG 2823 N N . TYR B 140 ? 0.1103 0.1290 0.1017 0.0346 0.0136 0.0100 140 TYR B N 2824 C CA . TYR B 140 ? 0.1176 0.1392 0.1048 0.0496 0.0146 0.0129 140 TYR B CA 2825 C C . TYR B 140 ? 0.1241 0.1241 0.1075 0.0401 -0.0058 0.0051 140 TYR B C 2826 O O . TYR B 140 ? 0.1500 0.1548 0.1207 0.0394 -0.0246 -0.0164 140 TYR B O 2827 C CB . TYR B 140 ? 0.1201 0.1407 0.1187 0.0698 0.0234 0.0079 140 TYR B CB 2828 C CG . TYR B 140 ? 0.1135 0.1317 0.1196 0.0363 0.0161 0.0110 140 TYR B CG 2829 C CD1 . TYR B 140 ? 0.1155 0.0923 0.1106 0.0229 0.0075 -0.0165 140 TYR B CD1 2830 C CD2 . TYR B 140 ? 0.1362 0.1639 0.1411 0.0208 0.0027 0.0410 140 TYR B CD2 2831 C CE1 . TYR B 140 ? 0.1237 0.1090 0.1134 0.0270 0.0075 -0.0090 140 TYR B CE1 2832 C CE2 . TYR B 140 ? 0.1397 0.1630 0.1477 0.0089 -0.0033 0.0419 140 TYR B CE2 2833 C CZ . TYR B 140 ? 0.1416 0.1570 0.1357 0.0017 0.0036 0.0180 140 TYR B CZ 2834 O OH . TYR B 140 ? 0.1578 0.1996 0.1501 -0.0121 0.0106 0.0226 140 TYR B OH 2835 N N . GLY B 141 ? 0.1086 0.0879 0.0993 0.0321 -0.0179 -0.0091 141 GLY B N 2836 C CA . GLY B 141 ? 0.1119 0.1222 0.0977 0.0159 -0.0018 -0.0209 141 GLY B CA 2837 C C . GLY B 141 ? 0.1243 0.1651 0.0731 0.0082 -0.0039 -0.0169 141 GLY B C 2838 O O . GLY B 141 ? 0.1679 0.2415 0.0899 -0.0228 0.0132 -0.0344 141 GLY B O 2839 N N . GLY B 142 ? 0.1118 0.1345 0.0675 0.0294 -0.0007 0.0017 142 GLY B N 2840 C CA . GLY B 142 ? 0.1205 0.1499 0.0809 0.0395 -0.0022 -0.0025 142 GLY B CA 2841 C C . GLY B 142 ? 0.1186 0.1206 0.0724 0.0405 -0.0034 0.0142 142 GLY B C 2842 O O . GLY B 142 ? 0.1139 0.1249 0.0660 0.0323 0.0083 0.0120 142 GLY B O 2843 N N . LYS B 143 ? 0.1383 0.1304 0.0706 0.0369 0.0078 0.0236 143 LYS B N 2844 C CA . LYS B 143 ? 0.1478 0.1318 0.0712 0.0504 0.0145 0.0361 143 LYS B CA 2845 C C . LYS B 143 ? 0.1321 0.0897 0.0566 0.0382 0.0042 0.0245 143 LYS B C 2846 O O . LYS B 143 ? 0.1515 0.1008 0.0537 0.0470 0.0156 0.0164 143 LYS B O 2847 C CB . LYS B 143 ? 0.1749 0.1657 0.1103 0.0676 0.0328 0.0343 143 LYS B CB 2848 C CG . LYS B 143 ? 0.2466 0.2488 0.1705 0.0457 0.0332 0.0273 143 LYS B CG 2849 C CD . LYS B 143 ? 0.3043 0.2980 0.2201 0.0339 0.0492 0.0114 143 LYS B CD 2850 C CE . LYS B 143 ? 0.3492 0.3521 0.2600 0.0276 0.0740 0.0023 143 LYS B CE 2851 N NZ . LYS B 143 ? 0.3791 0.3759 0.2797 0.0222 0.0876 0.0053 143 LYS B NZ 2852 N N . PHE B 144 ? 0.1158 0.0816 0.0467 0.0378 0.0073 0.0187 144 PHE B N 2853 C CA . PHE B 144 ? 0.1177 0.0748 0.0411 0.0274 -0.0046 0.0059 144 PHE B CA 2854 C C . PHE B 144 ? 0.1310 0.0867 0.0541 0.0252 0.0107 0.0196 144 PHE B C 2855 O O . PHE B 144 ? 0.1397 0.1102 0.0777 0.0168 0.0115 0.0153 144 PHE B O 2856 C CB . PHE B 144 ? 0.1224 0.0784 0.0458 0.0336 -0.0075 0.0099 144 PHE B CB 2857 C CG . PHE B 144 ? 0.1132 0.0706 0.0566 0.0403 -0.0127 -0.0003 144 PHE B CG 2858 C CD1 . PHE B 144 ? 0.1148 0.0829 0.0676 0.0245 -0.0050 -0.0107 144 PHE B CD1 2859 C CD2 . PHE B 144 ? 0.1290 0.0806 0.0671 0.0084 -0.0119 -0.0067 144 PHE B CD2 2860 C CE1 . PHE B 144 ? 0.1173 0.0938 0.0763 0.0275 0.0018 0.0075 144 PHE B CE1 2861 C CE2 . PHE B 144 ? 0.1456 0.1121 0.0849 0.0027 -0.0198 -0.0119 144 PHE B CE2 2862 C CZ . PHE B 144 ? 0.1284 0.1100 0.0891 0.0081 -0.0010 -0.0063 144 PHE B CZ 2863 N N . ASP B 145 ? 0.1286 0.0642 0.0581 0.0270 0.0274 0.0200 145 ASP B N 2864 C CA . ASP B 145 ? 0.1298 0.0659 0.0615 0.0335 0.0324 0.0126 145 ASP B CA 2865 C C . ASP B 145 ? 0.1256 0.0565 0.0619 0.0250 0.0277 0.0209 145 ASP B C 2866 O O . ASP B 145 ? 0.1173 0.0497 0.0675 0.0110 0.0199 0.0233 145 ASP B O 2867 C CB . ASP B 145 ? 0.1434 0.0819 0.0771 0.0141 0.0305 0.0005 145 ASP B CB 2868 C CG . ASP B 145 ? 0.1654 0.1023 0.0952 0.0038 0.0380 -0.0057 145 ASP B CG 2869 O OD1 . ASP B 145 ? 0.1719 0.1152 0.1061 -0.0271 0.0414 0.0129 145 ASP B OD1 2870 O OD2 . ASP B 145 ? 0.1822 0.1303 0.1183 -0.0028 0.0570 -0.0114 145 ASP B OD2 2871 N N . ARG B 146 ? 0.1339 0.0684 0.0559 0.0231 0.0350 0.0154 146 ARG B N 2872 C CA . ARG B 146 ? 0.1329 0.0863 0.0601 0.0100 0.0303 0.0263 146 ARG B CA 2873 C C . ARG B 146 ? 0.1232 0.0718 0.0652 -0.0021 0.0311 0.0090 146 ARG B C 2874 O O . ARG B 146 ? 0.1132 0.0532 0.0607 -0.0028 0.0198 0.0020 146 ARG B O 2875 C CB . ARG B 146 ? 0.1524 0.1118 0.0703 0.0053 0.0370 0.0317 146 ARG B CB 2876 C CG . ARG B 146 ? 0.1754 0.1292 0.0824 0.0135 0.0458 0.0362 146 ARG B CG 2877 C CD . ARG B 146 ? 0.2139 0.1500 0.1124 0.0273 0.0592 0.0518 146 ARG B CD 2878 N NE . ARG B 146 ? 0.2355 0.1658 0.1486 0.0358 0.0796 0.0654 146 ARG B NE 2879 C CZ . ARG B 146 ? 0.2682 0.2124 0.1770 0.0295 0.0967 0.0687 146 ARG B CZ 2880 N NH1 . ARG B 146 ? 0.2777 0.2308 0.1968 0.0437 0.1009 0.0671 146 ARG B NH1 2881 N NH2 . ARG B 146 ? 0.2793 0.2472 0.1989 0.0120 0.1105 0.0579 146 ARG B NH2 2882 N N . SER B 147 ? 0.1207 0.0670 0.0747 0.0026 0.0273 0.0199 147 SER B N 2883 C CA . SER B 147 ? 0.1266 0.0866 0.0901 -0.0112 0.0121 -0.0047 147 SER B CA 2884 C C . SER B 147 ? 0.1102 0.0806 0.0865 -0.0141 0.0012 -0.0152 147 SER B C 2885 O O . SER B 147 ? 0.1057 0.0948 0.1095 -0.0069 0.0098 -0.0192 147 SER B O 2886 C CB . SER B 147 ? 0.1643 0.0882 0.1245 -0.0314 0.0293 0.0012 147 SER B CB 2887 O OG . SER B 147 ? 0.2148 0.1152 0.1604 -0.0248 0.0321 -0.0161 147 SER B OG 2888 N N . GLN B 148 ? 0.1022 0.0715 0.0579 -0.0031 0.0132 0.0046 148 GLN B N 2889 C CA . GLN B 148 ? 0.0936 0.0740 0.0549 0.0012 0.0169 0.0055 148 GLN B CA 2890 C C . GLN B 148 ? 0.0917 0.0466 0.0455 0.0085 0.0127 0.0198 148 GLN B C 2891 O O . GLN B 148 ? 0.0997 0.0613 0.0521 0.0079 0.0118 0.0277 148 GLN B O 2892 C CB . GLN B 148 ? 0.1095 0.0743 0.0602 -0.0076 0.0247 -0.0074 148 GLN B CB 2893 C CG . GLN B 148 ? 0.1203 0.1204 0.0709 -0.0046 0.0250 -0.0145 148 GLN B CG 2894 C CD . GLN B 148 ? 0.1321 0.1665 0.0707 0.0141 0.0205 -0.0397 148 GLN B CD 2895 O OE1 . GLN B 148 ? 0.1408 0.1048 0.0682 0.0205 0.0267 -0.0149 148 GLN B OE1 2896 N NE2 . GLN B 148 ? 0.1501 0.2700 0.0965 0.0130 0.0120 -0.0566 148 GLN B NE2 2897 N N . SER B 149 ? 0.0932 0.0421 0.0510 0.0172 0.0199 0.0107 149 SER B N 2898 C CA . SER B 149 ? 0.0772 0.0498 0.0410 0.0046 0.0210 0.0024 149 SER B CA 2899 C C . SER B 149 ? 0.0616 0.0427 0.0458 0.0083 0.0137 0.0068 149 SER B C 2900 O O . SER B 149 ? 0.0817 0.0612 0.0801 0.0019 0.0142 -0.0043 149 SER B O 2901 C CB . SER B 149 ? 0.0904 0.0792 0.0402 0.0041 0.0254 0.0129 149 SER B CB 2902 O OG . SER B 149 ? 0.1021 0.0952 0.0490 0.0253 0.0116 0.0078 149 SER B OG 2903 N N . PHE B 150 ? 0.0729 0.0438 0.0574 0.0068 0.0040 -0.0125 150 PHE B N 2904 C CA . PHE B 150 ? 0.0679 0.0457 0.0512 0.0070 0.0009 -0.0043 150 PHE B CA 2905 C C . PHE B 150 ? 0.0784 0.0728 0.0534 0.0220 -0.0009 -0.0173 150 PHE B C 2906 O O . PHE B 150 ? 0.0870 0.1223 0.0659 0.0319 -0.0015 -0.0282 150 PHE B O 2907 C CB . PHE B 150 ? 0.0801 0.0555 0.0489 0.0068 0.0129 0.0019 150 PHE B CB 2908 C CG . PHE B 150 ? 0.0934 0.0521 0.0488 0.0123 0.0109 0.0028 150 PHE B CG 2909 C CD1 . PHE B 150 ? 0.1169 0.0631 0.0531 0.0155 0.0060 -0.0164 150 PHE B CD1 2910 C CD2 . PHE B 150 ? 0.0923 0.0613 0.0330 0.0208 0.0169 0.0037 150 PHE B CD2 2911 C CE1 . PHE B 150 ? 0.1188 0.0766 0.0512 0.0195 -0.0001 -0.0045 150 PHE B CE1 2912 C CE2 . PHE B 150 ? 0.0934 0.0665 0.0336 0.0167 0.0096 0.0009 150 PHE B CE2 2913 C CZ . PHE B 150 ? 0.1049 0.0707 0.0395 0.0199 0.0152 -0.0004 150 PHE B CZ 2914 N N . VAL B 151 ? 0.0721 0.0434 0.0328 0.0188 0.0092 -0.0081 151 VAL B N 2915 C CA . VAL B 151 ? 0.0861 0.0566 0.0382 0.0122 0.0213 0.0109 151 VAL B CA 2916 C C . VAL B 151 ? 0.0896 0.0764 0.0478 0.0187 0.0196 0.0079 151 VAL B C 2917 O O . VAL B 151 ? 0.0998 0.0697 0.0586 0.0169 0.0089 0.0091 151 VAL B O 2918 C CB . VAL B 151 ? 0.1057 0.0640 0.0493 0.0050 0.0225 0.0059 151 VAL B CB 2919 C CG1 . VAL B 151 ? 0.1129 0.0742 0.0557 0.0183 0.0236 -0.0078 151 VAL B CG1 2920 C CG2 . VAL B 151 ? 0.1181 0.0807 0.0610 -0.0016 0.0157 0.0349 151 VAL B CG2 2921 N N . GLY B 152 ? 0.0853 0.0663 0.0487 0.0146 0.0114 0.0191 152 GLY B N 2922 C CA . GLY B 152 ? 0.0777 0.0543 0.0618 0.0047 0.0144 0.0041 152 GLY B CA 2923 C C . GLY B 152 ? 0.0802 0.0619 0.0576 0.0085 0.0160 -0.0087 152 GLY B C 2924 O O . GLY B 152 ? 0.0815 0.0849 0.0615 0.0000 0.0109 0.0060 152 GLY B O 2925 N N . GLU B 153 ? 0.0794 0.0301 0.0498 0.0015 0.0040 -0.0018 153 GLU B N 2926 C CA . GLU B 153 ? 0.0842 0.0344 0.0446 -0.0089 0.0085 -0.0020 153 GLU B CA 2927 C C . GLU B 153 ? 0.0735 0.0519 0.0277 -0.0005 0.0033 -0.0066 153 GLU B C 2928 O O . GLU B 153 ? 0.0691 0.0791 0.0457 -0.0039 0.0024 0.0087 153 GLU B O 2929 C CB . GLU B 153 ? 0.0968 0.0522 0.0555 -0.0092 0.0191 -0.0106 153 GLU B CB 2930 C CG . GLU B 153 ? 0.1086 0.0538 0.0695 0.0007 0.0238 -0.0159 153 GLU B CG 2931 C CD . GLU B 153 ? 0.1168 0.0953 0.0836 -0.0136 0.0281 -0.0009 153 GLU B CD 2932 O OE1 . GLU B 153 ? 0.1284 0.1148 0.1125 -0.0133 0.0300 -0.0062 153 GLU B OE1 2933 O OE2 . GLU B 153 ? 0.1329 0.1203 0.0797 -0.0111 0.0352 -0.0099 153 GLU B OE2 2934 N N . ILE B 154 ? 0.0819 0.0664 0.0292 -0.0011 -0.0006 0.0034 154 ILE B N 2935 C CA . ILE B 154 ? 0.0876 0.0530 0.0403 0.0136 -0.0026 0.0192 154 ILE B CA 2936 C C . ILE B 154 ? 0.0861 0.0952 0.0416 0.0007 0.0045 0.0223 154 ILE B C 2937 O O . ILE B 154 ? 0.1086 0.1387 0.0430 -0.0095 0.0103 0.0188 154 ILE B O 2938 C CB . ILE B 154 ? 0.1329 0.0585 0.0752 0.0281 0.0289 0.0114 154 ILE B CB 2939 C CG1 . ILE B 154 ? 0.1665 0.0581 0.1117 0.0056 0.0628 -0.0068 154 ILE B CG1 2940 C CG2 . ILE B 154 ? 0.1568 0.0778 0.0770 0.0301 0.0320 0.0031 154 ILE B CG2 2941 C CD1 . ILE B 154 ? 0.1949 0.0937 0.1296 0.0052 0.0563 0.0023 154 ILE B CD1 2942 N N . GLY B 155 ? 0.0988 0.0890 0.0460 -0.0199 0.0072 0.0258 155 GLY B N 2943 C CA . GLY B 155 ? 0.1067 0.1070 0.0649 -0.0236 0.0145 0.0283 155 GLY B CA 2944 C C . GLY B 155 ? 0.0910 0.0769 0.0546 -0.0177 0.0121 0.0018 155 GLY B C 2945 O O . GLY B 155 ? 0.0943 0.0915 0.0664 -0.0102 0.0001 0.0009 155 GLY B O 2946 N N . ASP B 156 ? 0.1041 0.0766 0.0659 -0.0259 0.0083 0.0022 156 ASP B N 2947 C CA . ASP B 156 ? 0.1123 0.0864 0.0599 -0.0051 0.0024 0.0010 156 ASP B CA 2948 C C . ASP B 156 ? 0.0995 0.0730 0.0555 -0.0084 -0.0017 0.0070 156 ASP B C 2949 O O . ASP B 156 ? 0.0893 0.0990 0.0532 -0.0045 0.0040 0.0181 156 ASP B O 2950 C CB . ASP B 156 ? 0.1315 0.1254 0.0940 0.0248 0.0153 -0.0156 156 ASP B CB 2951 C CG . ASP B 156 ? 0.1468 0.1808 0.1370 0.0502 0.0019 -0.0282 156 ASP B CG 2952 O OD1 . ASP B 156 ? 0.1696 0.2132 0.1711 0.0424 0.0168 -0.0448 156 ASP B OD1 2953 O OD2 . ASP B 156 ? 0.1554 0.2275 0.1510 0.0573 -0.0007 -0.0436 156 ASP B OD2 2954 N N . LEU B 157 ? 0.0970 0.0704 0.0578 -0.0074 0.0073 0.0093 157 LEU B N 2955 C CA . LEU B 157 ? 0.0816 0.0533 0.0504 -0.0055 0.0059 0.0023 157 LEU B CA 2956 C C . LEU B 157 ? 0.0702 0.0711 0.0493 -0.0078 0.0109 -0.0051 157 LEU B C 2957 O O . LEU B 157 ? 0.0810 0.0821 0.0618 -0.0165 0.0139 -0.0045 157 LEU B O 2958 C CB . LEU B 157 ? 0.1034 0.0560 0.0660 0.0123 0.0139 0.0083 157 LEU B CB 2959 C CG . LEU B 157 ? 0.1180 0.0924 0.0800 0.0253 0.0147 0.0062 157 LEU B CG 2960 C CD1 . LEU B 157 ? 0.1390 0.1112 0.0978 0.0061 0.0134 0.0140 157 LEU B CD1 2961 C CD2 . LEU B 157 ? 0.1109 0.0984 0.0966 0.0188 -0.0032 -0.0085 157 LEU B CD2 2962 N N . TYR B 158 ? 0.0666 0.0769 0.0444 -0.0019 0.0247 -0.0080 158 TYR B N 2963 C CA . TYR B 158 ? 0.0662 0.0788 0.0529 0.0091 0.0328 -0.0014 158 TYR B CA 2964 C C . TYR B 158 ? 0.0595 0.0964 0.0477 -0.0042 0.0187 0.0009 158 TYR B C 2965 O O . TYR B 158 ? 0.0637 0.1086 0.0663 -0.0051 0.0182 0.0091 158 TYR B O 2966 C CB . TYR B 158 ? 0.0972 0.0963 0.0629 0.0033 0.0299 0.0322 158 TYR B CB 2967 C CG . TYR B 158 ? 0.1239 0.0934 0.0767 -0.0014 0.0401 0.0253 158 TYR B CG 2968 C CD1 . TYR B 158 ? 0.1306 0.0909 0.0766 0.0212 0.0356 0.0197 158 TYR B CD1 2969 C CD2 . TYR B 158 ? 0.1411 0.0778 0.0970 -0.0136 0.0356 0.0064 158 TYR B CD2 2970 C CE1 . TYR B 158 ? 0.1531 0.0781 0.0807 0.0179 0.0356 0.0262 158 TYR B CE1 2971 C CE2 . TYR B 158 ? 0.1598 0.0754 0.1107 0.0069 0.0266 -0.0134 158 TYR B CE2 2972 C CZ . TYR B 158 ? 0.1739 0.0791 0.0935 0.0259 0.0290 -0.0097 158 TYR B CZ 2973 O OH . TYR B 158 ? 0.2253 0.1157 0.1224 0.0351 0.0180 -0.0139 158 TYR B OH 2974 N N . MET B 159 ? 0.0583 0.1016 0.0416 -0.0137 0.0183 0.0053 159 MET B N 2975 C CA . MET B 159 ? 0.0634 0.0972 0.0506 -0.0139 0.0277 -0.0058 159 MET B CA 2976 C C . MET B 159 ? 0.0693 0.0957 0.0537 -0.0186 0.0282 0.0041 159 MET B C 2977 O O . MET B 159 ? 0.0699 0.1083 0.0612 -0.0193 0.0192 0.0124 159 MET B O 2978 C CB . MET B 159 ? 0.0721 0.1070 0.0607 -0.0181 0.0207 -0.0028 159 MET B CB 2979 C CG . MET B 159 ? 0.0902 0.1076 0.0837 -0.0123 0.0156 -0.0028 159 MET B CG 2980 S SD . MET B 159 ? 0.1495 0.1160 0.0973 -0.0075 0.0157 0.0007 159 MET B SD 2981 C CE . MET B 159 ? 0.1870 0.1264 0.1144 0.0018 0.0083 -0.0080 159 MET B CE 2982 N N . TRP B 160 ? 0.0853 0.0939 0.0511 -0.0273 0.0172 0.0185 160 TRP B N 2983 C CA . TRP B 160 ? 0.0942 0.0945 0.0495 -0.0232 0.0103 0.0261 160 TRP B CA 2984 C C . TRP B 160 ? 0.0952 0.1180 0.0634 -0.0347 0.0244 0.0163 160 TRP B C 2985 O O . TRP B 160 ? 0.0966 0.1170 0.0703 -0.0410 0.0341 -0.0046 160 TRP B O 2986 C CB . TRP B 160 ? 0.1218 0.0904 0.0581 -0.0344 0.0057 0.0255 160 TRP B CB 2987 C CG . TRP B 160 ? 0.1320 0.0953 0.0791 -0.0278 0.0136 0.0238 160 TRP B CG 2988 C CD1 . TRP B 160 ? 0.1496 0.1023 0.0969 -0.0228 0.0199 0.0293 160 TRP B CD1 2989 C CD2 . TRP B 160 ? 0.1291 0.0989 0.0751 -0.0148 0.0061 0.0238 160 TRP B CD2 2990 N NE1 . TRP B 160 ? 0.1580 0.1104 0.0914 -0.0171 0.0242 0.0315 160 TRP B NE1 2991 C CE2 . TRP B 160 ? 0.1470 0.1146 0.0784 0.0008 0.0099 0.0394 160 TRP B CE2 2992 C CE3 . TRP B 160 ? 0.1269 0.1059 0.0677 -0.0066 0.0155 0.0347 160 TRP B CE3 2993 C CZ2 . TRP B 160 ? 0.1531 0.1061 0.0675 0.0228 0.0042 0.0385 160 TRP B CZ2 2994 C CZ3 . TRP B 160 ? 0.1286 0.1064 0.0616 0.0073 0.0022 0.0279 160 TRP B CZ3 2995 C CH2 . TRP B 160 ? 0.1478 0.1228 0.0632 0.0284 0.0042 0.0302 160 TRP B CH2 2996 N N . ASP B 161 ? 0.0844 0.1283 0.0674 -0.0323 0.0295 0.0062 161 ASP B N 2997 C CA . ASP B 161 ? 0.1012 0.1587 0.0863 -0.0184 0.0482 -0.0119 161 ASP B CA 2998 C C . ASP B 161 ? 0.1213 0.1578 0.0834 -0.0258 0.0510 -0.0047 161 ASP B C 2999 O O . ASP B 161 ? 0.1450 0.1923 0.0955 -0.0277 0.0584 -0.0120 161 ASP B O 3000 C CB . ASP B 161 ? 0.1207 0.2261 0.1198 -0.0508 0.0507 -0.0161 161 ASP B CB 3001 C CG . ASP B 161 ? 0.1476 0.2866 0.1438 -0.0579 0.0608 -0.0161 161 ASP B CG 3002 O OD1 . ASP B 161 ? 0.1511 0.2964 0.1191 -0.0722 0.0436 -0.0176 161 ASP B OD1 3003 O OD2 . ASP B 161 ? 0.1677 0.3288 0.1822 -0.0649 0.0756 -0.0099 161 ASP B OD2 3004 N N . SER B 162 ? 0.1289 0.1379 0.0633 -0.0126 0.0374 0.0088 162 SER B N 3005 C CA . SER B 162 ? 0.1508 0.1461 0.0790 -0.0158 0.0291 0.0255 162 SER B CA 3006 C C . SER B 162 ? 0.1332 0.1480 0.0652 -0.0155 0.0262 0.0357 162 SER B C 3007 O O . SER B 162 ? 0.1269 0.1510 0.0688 -0.0144 0.0259 0.0310 162 SER B O 3008 C CB . SER B 162 ? 0.2025 0.1496 0.0983 -0.0431 0.0337 0.0321 162 SER B CB 3009 O OG . SER B 162 ? 0.2383 0.1475 0.1442 -0.0479 0.0505 0.0223 162 SER B OG 3010 N N . VAL B 163 ? 0.1412 0.1536 0.0766 0.0065 0.0195 0.0388 163 VAL B N 3011 C CA . VAL B 163 ? 0.1666 0.1514 0.0881 0.0199 0.0156 0.0489 163 VAL B CA 3012 C C . VAL B 163 ? 0.2018 0.1446 0.0996 0.0317 0.0163 0.0586 163 VAL B C 3013 O O . VAL B 163 ? 0.2320 0.1499 0.1234 0.0193 0.0413 0.0531 163 VAL B O 3014 C CB . VAL B 163 ? 0.1838 0.1689 0.1098 0.0079 0.0156 0.0329 163 VAL B CB 3015 C CG1 . VAL B 163 ? 0.1841 0.1634 0.1080 0.0431 0.0139 0.0376 163 VAL B CG1 3016 C CG2 . VAL B 163 ? 0.2037 0.2041 0.1286 -0.0108 0.0115 0.0131 163 VAL B CG2 3017 N N . LEU B 164 ? 0.2122 0.1267 0.1157 0.0523 0.0158 0.0531 164 LEU B N 3018 C CA . LEU B 164 ? 0.2331 0.1311 0.1159 0.0416 0.0117 0.0385 164 LEU B CA 3019 C C . LEU B 164 ? 0.2235 0.1414 0.1149 0.0346 0.0086 0.0338 164 LEU B C 3020 O O . LEU B 164 ? 0.2258 0.1655 0.1170 0.0591 -0.0041 0.0369 164 LEU B O 3021 C CB . LEU B 164 ? 0.2528 0.1495 0.1208 0.0430 0.0116 0.0381 164 LEU B CB 3022 C CG . LEU B 164 ? 0.2708 0.1803 0.1543 0.0436 0.0040 0.0321 164 LEU B CG 3023 C CD1 . LEU B 164 ? 0.2853 0.1806 0.1610 0.0577 0.0044 0.0307 164 LEU B CD1 3024 C CD2 . LEU B 164 ? 0.2801 0.2438 0.1841 0.0264 0.0035 0.0174 164 LEU B CD2 3025 N N . PRO B 165 ? 0.2272 0.1481 0.1273 0.0136 0.0073 0.0470 165 PRO B N 3026 C CA . PRO B 165 ? 0.2280 0.1426 0.1273 0.0163 0.0001 0.0705 165 PRO B CA 3027 C C . PRO B 165 ? 0.2294 0.1240 0.1204 0.0291 -0.0153 0.0557 165 PRO B C 3028 O O . PRO B 165 ? 0.2357 0.1209 0.1127 0.0370 -0.0167 0.0395 165 PRO B O 3029 C CB . PRO B 165 ? 0.2384 0.1649 0.1493 -0.0114 0.0158 0.0689 165 PRO B CB 3030 C CG . PRO B 165 ? 0.2340 0.1626 0.1552 -0.0296 0.0213 0.0670 165 PRO B CG 3031 C CD . PRO B 165 ? 0.2265 0.1455 0.1429 -0.0183 0.0150 0.0560 165 PRO B CD 3032 N N . PRO B 166 ? 0.2394 0.1378 0.1123 0.0066 -0.0228 0.0510 166 PRO B N 3033 C CA . PRO B 166 ? 0.2454 0.1657 0.1320 0.0185 -0.0203 0.0354 166 PRO B CA 3034 C C . PRO B 166 ? 0.2447 0.1568 0.1339 0.0305 -0.0179 0.0292 166 PRO B C 3035 O O . PRO B 166 ? 0.2481 0.1453 0.1164 0.0215 -0.0179 0.0074 166 PRO B O 3036 C CB . PRO B 166 ? 0.2459 0.1771 0.1278 0.0076 -0.0249 0.0299 166 PRO B CB 3037 C CG . PRO B 166 ? 0.2504 0.1790 0.1290 0.0031 -0.0244 0.0262 166 PRO B CG 3038 C CD . PRO B 166 ? 0.2459 0.1549 0.1125 0.0022 -0.0308 0.0403 166 PRO B CD 3039 N N . GLU B 167 ? 0.2428 0.1481 0.1559 0.0409 -0.0163 0.0274 167 GLU B N 3040 C CA . GLU B 167 ? 0.2573 0.1464 0.1807 0.0287 -0.0088 0.0470 167 GLU B CA 3041 C C . GLU B 167 ? 0.2297 0.1250 0.1730 0.0257 -0.0139 0.0327 167 GLU B C 3042 O O . GLU B 167 ? 0.2135 0.1488 0.1729 0.0230 -0.0111 0.0148 167 GLU B O 3043 C CB . GLU B 167 ? 0.3002 0.1941 0.2172 0.0074 0.0053 0.0691 167 GLU B CB 3044 C CG . GLU B 167 ? 0.3386 0.2600 0.2537 -0.0025 0.0237 0.0848 167 GLU B CG 3045 C CD . GLU B 167 ? 0.3687 0.2967 0.2795 -0.0074 0.0369 0.0914 167 GLU B CD 3046 O OE1 . GLU B 167 ? 0.3845 0.2611 0.2851 0.0012 0.0432 0.0980 167 GLU B OE1 3047 O OE2 . GLU B 167 ? 0.3812 0.3423 0.2980 -0.0136 0.0380 0.0876 167 GLU B OE2 3048 N N . ASN B 168 ? 0.2176 0.1048 0.1723 0.0253 -0.0152 0.0355 168 ASN B N 3049 C CA . ASN B 168 ? 0.2133 0.1107 0.1719 0.0110 -0.0120 0.0311 168 ASN B CA 3050 C C . ASN B 168 ? 0.2010 0.1065 0.1450 0.0136 -0.0183 0.0268 168 ASN B C 3051 O O . ASN B 168 ? 0.2008 0.1052 0.1406 0.0019 -0.0169 0.0146 168 ASN B O 3052 C CB . ASN B 168 ? 0.2354 0.1326 0.2130 0.0152 -0.0012 0.0543 168 ASN B CB 3053 C CG . ASN B 168 ? 0.2682 0.1725 0.2651 -0.0153 0.0182 0.0406 168 ASN B CG 3054 O OD1 . ASN B 168 ? 0.3030 0.2008 0.3005 -0.0322 0.0319 0.0362 168 ASN B OD1 3055 N ND2 . ASN B 168 ? 0.2693 0.1911 0.2731 -0.0404 0.0298 0.0430 168 ASN B ND2 3056 N N A ILE B 169 ? 0.1997 0.1126 0.1405 0.0116 -0.0188 0.0317 169 ILE B N 3057 N N B ILE B 169 ? 0.1993 0.1045 0.1280 0.0078 -0.0218 0.0237 169 ILE B N 3058 C CA A ILE B 169 ? 0.1970 0.1187 0.1422 0.0119 -0.0200 0.0361 169 ILE B CA 3059 C CA B ILE B 169 ? 0.1961 0.1034 0.1250 0.0057 -0.0266 0.0220 169 ILE B CA 3060 C C A ILE B 169 ? 0.1942 0.1207 0.1479 0.0143 -0.0255 0.0393 169 ILE B C 3061 C C B ILE B 169 ? 0.1943 0.1141 0.1361 0.0120 -0.0300 0.0327 169 ILE B C 3062 O O A ILE B 169 ? 0.1892 0.1117 0.1436 0.0113 -0.0231 0.0300 169 ILE B O 3063 O O B ILE B 169 ? 0.1843 0.1036 0.1236 0.0073 -0.0294 0.0102 169 ILE B O 3064 C CB A ILE B 169 ? 0.2001 0.1272 0.1402 0.0062 -0.0084 0.0313 169 ILE B CB 3065 C CB B ILE B 169 ? 0.2020 0.1011 0.1164 -0.0075 -0.0122 0.0038 169 ILE B CB 3066 C CG1 A ILE B 169 ? 0.2020 0.1429 0.1509 0.0198 0.0037 0.0277 169 ILE B CG1 3067 C CG1 B ILE B 169 ? 0.2174 0.1250 0.1274 0.0003 0.0098 0.0040 169 ILE B CG1 3068 C CG2 A ILE B 169 ? 0.2040 0.1341 0.1347 -0.0095 -0.0070 0.0282 169 ILE B CG2 3069 C CG2 B ILE B 169 ? 0.2047 0.1055 0.1141 -0.0201 -0.0099 -0.0045 169 ILE B CG2 3070 C CD1 A ILE B 169 ? 0.1986 0.1472 0.1585 0.0374 0.0112 0.0213 169 ILE B CD1 3071 C CD1 B ILE B 169 ? 0.2297 0.1330 0.1372 0.0109 0.0205 -0.0115 169 ILE B CD1 3072 N N . LEU B 170 ? 0.1906 0.1288 0.1559 0.0178 -0.0321 0.0395 170 LEU B N 3073 C CA . LEU B 170 ? 0.1960 0.1442 0.1743 0.0253 -0.0445 0.0349 170 LEU B CA 3074 C C . LEU B 170 ? 0.2064 0.1172 0.1761 0.0128 -0.0195 0.0184 170 LEU B C 3075 O O . LEU B 170 ? 0.2188 0.1010 0.1816 0.0319 -0.0047 0.0095 170 LEU B O 3076 C CB . LEU B 170 ? 0.2276 0.2087 0.2025 0.0306 -0.0538 0.0480 170 LEU B CB 3077 C CG . LEU B 170 ? 0.2873 0.2832 0.2421 0.0255 -0.0347 0.0513 170 LEU B CG 3078 C CD1 . LEU B 170 ? 0.3044 0.3092 0.2504 0.0356 -0.0409 0.0548 170 LEU B CD1 3079 C CD2 . LEU B 170 ? 0.3007 0.3055 0.2641 0.0099 -0.0214 0.0564 170 LEU B CD2 3080 N N . SER B 171 ? 0.2179 0.1111 0.1760 -0.0012 -0.0170 0.0214 171 SER B N 3081 C CA . SER B 171 ? 0.2262 0.1269 0.1746 -0.0231 -0.0098 0.0280 171 SER B CA 3082 C C . SER B 171 ? 0.2066 0.1130 0.1649 0.0006 -0.0022 0.0226 171 SER B C 3083 O O . SER B 171 ? 0.2091 0.1156 0.1677 0.0076 0.0152 0.0108 171 SER B O 3084 C CB . SER B 171 ? 0.2711 0.1456 0.1997 -0.0520 -0.0064 0.0392 171 SER B CB 3085 O OG . SER B 171 ? 0.3096 0.1831 0.2174 -0.0454 -0.0016 0.0477 171 SER B OG 3086 N N . ALA B 172 ? 0.1949 0.1263 0.1486 0.0015 -0.0143 0.0166 172 ALA B N 3087 C CA . ALA B 172 ? 0.1750 0.1294 0.1233 0.0145 -0.0155 0.0174 172 ALA B CA 3088 C C . ALA B 172 ? 0.1683 0.1292 0.1155 0.0209 -0.0020 0.0063 172 ALA B C 3089 O O . ALA B 172 ? 0.1701 0.1342 0.1131 0.0276 0.0097 -0.0109 172 ALA B O 3090 C CB . ALA B 172 ? 0.1709 0.1269 0.1148 0.0001 -0.0130 0.0108 172 ALA B CB 3091 N N . TYR B 173 ? 0.1522 0.0984 0.1158 0.0045 0.0061 -0.0198 173 TYR B N 3092 C CA . TYR B 173 ? 0.1622 0.1265 0.1348 0.0104 0.0073 -0.0321 173 TYR B CA 3093 C C . TYR B 173 ? 0.1893 0.1336 0.1548 0.0215 0.0207 -0.0416 173 TYR B C 3094 O O . TYR B 173 ? 0.1945 0.1451 0.1643 0.0386 0.0212 -0.0397 173 TYR B O 3095 C CB . TYR B 173 ? 0.1590 0.1324 0.1359 0.0187 0.0111 -0.0236 173 TYR B CB 3096 C CG . TYR B 173 ? 0.1676 0.1535 0.1716 0.0289 0.0181 -0.0291 173 TYR B CG 3097 C CD1 . TYR B 173 ? 0.1686 0.1655 0.1862 0.0175 0.0368 -0.0193 173 TYR B CD1 3098 C CD2 . TYR B 173 ? 0.1727 0.1832 0.1998 0.0365 0.0269 -0.0233 173 TYR B CD2 3099 C CE1 . TYR B 173 ? 0.1716 0.1935 0.2152 0.0202 0.0440 -0.0271 173 TYR B CE1 3100 C CE2 . TYR B 173 ? 0.1768 0.2309 0.2259 0.0402 0.0417 -0.0271 173 TYR B CE2 3101 C CZ . TYR B 173 ? 0.1745 0.2372 0.2351 0.0325 0.0512 -0.0352 173 TYR B CZ 3102 O OH . TYR B 173 ? 0.1919 0.3095 0.2598 0.0379 0.0656 -0.0401 173 TYR B OH 3103 N N . GLN B 174 ? 0.2211 0.1265 0.1753 0.0181 0.0162 -0.0660 174 GLN B N 3104 C CA . GLN B 174 ? 0.2602 0.1540 0.2063 0.0235 0.0162 -0.0571 174 GLN B CA 3105 C C . GLN B 174 ? 0.2696 0.1683 0.2011 0.0232 0.0197 -0.0654 174 GLN B C 3106 O O . GLN B 174 ? 0.2975 0.2158 0.2095 0.0237 0.0171 -0.0796 174 GLN B O 3107 C CB . GLN B 174 ? 0.2906 0.1653 0.2491 0.0456 0.0143 -0.0424 174 GLN B CB 3108 C CG . GLN B 174 ? 0.3255 0.2168 0.2907 0.0440 0.0089 -0.0076 174 GLN B CG 3109 C CD . GLN B 174 ? 0.3586 0.2969 0.3332 0.0280 -0.0002 0.0280 174 GLN B CD 3110 O OE1 . GLN B 174 ? 0.3743 0.3132 0.3551 0.0299 0.0038 0.0387 174 GLN B OE1 3111 N NE2 . GLN B 174 ? 0.3741 0.3362 0.3427 0.0159 -0.0065 0.0354 174 GLN B NE2 3112 N N . GLY B 175 ? 0.2520 0.1461 0.1931 0.0163 0.0161 -0.0646 175 GLY B N 3113 C CA . GLY B 175 ? 0.2538 0.1642 0.2043 0.0256 0.0142 -0.0472 175 GLY B CA 3114 C C . GLY B 175 ? 0.2561 0.1534 0.2158 0.0229 -0.0030 -0.0465 175 GLY B C 3115 O O . GLY B 175 ? 0.2675 0.1690 0.2182 0.0316 0.0052 -0.0581 175 GLY B O 3116 N N . THR B 176 ? 0.2546 0.1352 0.2292 0.0305 -0.0051 -0.0232 176 THR B N 3117 C CA . THR B 176 ? 0.2687 0.1190 0.2570 0.0331 -0.0128 0.0002 176 THR B CA 3118 C C . THR B 176 ? 0.2467 0.1296 0.2411 0.0213 -0.0198 0.0202 176 THR B C 3119 O O . THR B 176 ? 0.2494 0.1324 0.2484 0.0330 -0.0290 0.0252 176 THR B O 3120 C CB . THR B 176 ? 0.3135 0.1476 0.2995 0.0370 -0.0059 -0.0096 176 THR B CB 3121 O OG1 . THR B 176 ? 0.3421 0.1419 0.3209 0.0312 -0.0078 -0.0117 176 THR B OG1 3122 C CG2 . THR B 176 ? 0.3241 0.1694 0.3121 0.0542 0.0047 -0.0188 176 THR B CG2 3123 N N . PRO B 177 ? 0.2311 0.1088 0.2130 0.0179 -0.0151 0.0324 177 PRO B N 3124 C CA . PRO B 177 ? 0.2228 0.1176 0.2220 0.0139 -0.0137 0.0155 177 PRO B CA 3125 C C . PRO B 177 ? 0.2333 0.1392 0.2610 0.0158 -0.0059 0.0076 177 PRO B C 3126 O O . PRO B 177 ? 0.2363 0.1570 0.2786 -0.0096 -0.0125 0.0066 177 PRO B O 3127 C CB . PRO B 177 ? 0.2185 0.1303 0.2164 0.0140 -0.0149 0.0073 177 PRO B CB 3128 C CG . PRO B 177 ? 0.2218 0.1398 0.2088 0.0152 -0.0184 0.0224 177 PRO B CG 3129 C CD . PRO B 177 ? 0.2326 0.1174 0.2065 0.0093 -0.0152 0.0360 177 PRO B CD 3130 N N . LEU B 178 ? 0.2410 0.1584 0.2899 0.0289 0.0183 0.0183 178 LEU B N 3131 C CA . LEU B 178 ? 0.2531 0.1849 0.3132 0.0091 0.0268 0.0173 178 LEU B CA 3132 C C . LEU B 178 ? 0.2365 0.1579 0.3236 -0.0204 0.0274 -0.0114 178 LEU B C 3133 O O . LEU B 178 ? 0.2082 0.1250 0.3151 -0.0372 0.0277 -0.0155 178 LEU B O 3134 C CB . LEU B 178 ? 0.2983 0.2539 0.3301 0.0326 0.0235 0.0386 178 LEU B CB 3135 C CG . LEU B 178 ? 0.3388 0.3102 0.3463 0.0349 0.0192 0.0361 178 LEU B CG 3136 C CD1 . LEU B 178 ? 0.3553 0.3279 0.3477 0.0460 0.0262 0.0336 178 LEU B CD1 3137 C CD2 . LEU B 178 ? 0.3483 0.3370 0.3567 0.0301 0.0129 0.0295 178 LEU B CD2 3138 N N . PRO B 179 ? 0.2519 0.1340 0.3440 -0.0496 0.0138 -0.0350 179 PRO B N 3139 C CA . PRO B 179 ? 0.2397 0.1410 0.3297 -0.0530 0.0111 -0.0416 179 PRO B CA 3140 C C . PRO B 179 ? 0.1953 0.1147 0.2772 -0.0392 0.0187 -0.0250 179 PRO B C 3141 O O . PRO B 179 ? 0.1886 0.1093 0.2871 -0.0359 0.0290 -0.0130 179 PRO B O 3142 C CB . PRO B 179 ? 0.2629 0.1703 0.3601 -0.0502 0.0002 -0.0550 179 PRO B CB 3143 C CG . PRO B 179 ? 0.2794 0.1838 0.3755 -0.0437 0.0015 -0.0518 179 PRO B CG 3144 C CD . PRO B 179 ? 0.2773 0.1539 0.3696 -0.0548 0.0078 -0.0516 179 PRO B CD 3145 N N . ALA B 180 ? 0.1650 0.0926 0.2126 -0.0360 0.0252 -0.0156 180 ALA B N 3146 C CA . ALA B 180 ? 0.1260 0.1010 0.1531 -0.0295 0.0232 0.0167 180 ALA B CA 3147 C C . ALA B 180 ? 0.1186 0.1776 0.1467 -0.0328 0.0237 0.0031 180 ALA B C 3148 O O . ALA B 180 ? 0.1438 0.2672 0.1560 -0.0105 0.0327 0.0003 180 ALA B O 3149 C CB . ALA B 180 ? 0.1161 0.1080 0.1307 -0.0358 0.0308 0.0447 180 ALA B CB 3150 N N . ASN B 181 ? 0.1009 0.1439 0.1322 -0.0210 0.0248 0.0078 181 ASN B N 3151 C CA . ASN B 181 ? 0.0912 0.1483 0.1351 -0.0221 0.0282 0.0192 181 ASN B CA 3152 C C . ASN B 181 ? 0.0832 0.1530 0.1631 -0.0037 0.0209 0.0193 181 ASN B C 3153 O O . ASN B 181 ? 0.1047 0.1941 0.2560 -0.0056 0.0197 0.0370 181 ASN B O 3154 C CB . ASN B 181 ? 0.1091 0.1861 0.1234 -0.0243 0.0210 0.0173 181 ASN B CB 3155 C CG . ASN B 181 ? 0.1388 0.2179 0.1251 -0.0480 0.0282 0.0192 181 ASN B CG 3156 O OD1 . ASN B 181 ? 0.1379 0.1903 0.1224 -0.0533 0.0123 0.0165 181 ASN B OD1 3157 N ND2 . ASN B 181 ? 0.1620 0.2556 0.1375 -0.0755 0.0475 0.0219 181 ASN B ND2 3158 N N . ILE B 182 ? 0.0820 0.1249 0.0964 -0.0169 0.0331 0.0086 182 ILE B N 3159 C CA . ILE B 182 ? 0.0893 0.1204 0.0805 -0.0129 0.0329 -0.0110 182 ILE B CA 3160 C C . ILE B 182 ? 0.0800 0.1231 0.0697 -0.0116 0.0239 -0.0021 182 ILE B C 3161 O O . ILE B 182 ? 0.0993 0.1400 0.0770 0.0049 0.0166 0.0058 182 ILE B O 3162 C CB . ILE B 182 ? 0.0948 0.1057 0.0883 -0.0078 0.0349 -0.0012 182 ILE B CB 3163 C CG1 . ILE B 182 ? 0.1014 0.1258 0.0933 -0.0159 0.0234 0.0032 182 ILE B CG1 3164 C CG2 . ILE B 182 ? 0.1173 0.0963 0.1032 -0.0108 0.0296 0.0008 182 ILE B CG2 3165 C CD1 . ILE B 182 ? 0.0927 0.1389 0.0963 -0.0027 0.0069 0.0068 182 ILE B CD1 3166 N N . LEU B 183 ? 0.0734 0.1167 0.0664 -0.0085 0.0284 0.0073 183 LEU B N 3167 C CA . LEU B 183 ? 0.0823 0.0924 0.0653 -0.0129 0.0286 0.0073 183 LEU B CA 3168 C C . LEU B 183 ? 0.0930 0.0755 0.0697 -0.0209 0.0197 0.0083 183 LEU B C 3169 O O . LEU B 183 ? 0.0909 0.0933 0.0824 -0.0116 0.0177 0.0128 183 LEU B O 3170 C CB . LEU B 183 ? 0.0896 0.0889 0.0670 0.0032 0.0343 0.0012 183 LEU B CB 3171 C CG . LEU B 183 ? 0.1088 0.1092 0.0843 -0.0073 0.0357 0.0088 183 LEU B CG 3172 C CD1 . LEU B 183 ? 0.1260 0.1142 0.1016 -0.0202 0.0434 0.0023 183 LEU B CD1 3173 C CD2 . LEU B 183 ? 0.1339 0.1342 0.0952 -0.0143 0.0287 0.0203 183 LEU B CD2 3174 N N . ASP B 184 ? 0.1089 0.0817 0.0645 -0.0083 0.0170 0.0140 184 ASP B N 3175 C CA . ASP B 184 ? 0.1204 0.0917 0.0890 -0.0220 0.0205 0.0059 184 ASP B CA 3176 C C . ASP B 184 ? 0.1079 0.0983 0.0805 -0.0222 0.0053 0.0013 184 ASP B C 3177 O O . ASP B 184 ? 0.1083 0.1204 0.0887 -0.0184 0.0144 0.0101 184 ASP B O 3178 C CB . ASP B 184 ? 0.1767 0.1240 0.1224 -0.0321 0.0461 0.0097 184 ASP B CB 3179 C CG . ASP B 184 ? 0.2376 0.1558 0.1458 -0.0440 0.0507 0.0168 184 ASP B CG 3180 O OD1 . ASP B 184 ? 0.2315 0.1375 0.1562 -0.0388 0.0551 0.0086 184 ASP B OD1 3181 O OD2 . ASP B 184 ? 0.2839 0.2280 0.1583 -0.0415 0.0472 0.0092 184 ASP B OD2 3182 N N . TRP B 185 ? 0.1029 0.0954 0.0612 -0.0127 -0.0005 -0.0051 185 TRP B N 3183 C CA . TRP B 185 ? 0.1154 0.0899 0.0553 -0.0165 0.0052 0.0039 185 TRP B CA 3184 C C . TRP B 185 ? 0.1369 0.1034 0.0778 -0.0282 0.0102 -0.0151 185 TRP B C 3185 O O . TRP B 185 ? 0.1317 0.1123 0.0685 -0.0301 0.0103 -0.0081 185 TRP B O 3186 C CB . TRP B 185 ? 0.1181 0.1149 0.0601 -0.0138 0.0056 -0.0022 185 TRP B CB 3187 C CG . TRP B 185 ? 0.1069 0.1290 0.0652 -0.0152 0.0031 -0.0120 185 TRP B CG 3188 C CD1 . TRP B 185 ? 0.1072 0.1397 0.0674 0.0073 -0.0024 0.0025 185 TRP B CD1 3189 C CD2 . TRP B 185 ? 0.0905 0.1242 0.0738 -0.0077 -0.0002 -0.0010 185 TRP B CD2 3190 N NE1 . TRP B 185 ? 0.1049 0.1656 0.0768 0.0132 0.0129 -0.0107 185 TRP B NE1 3191 C CE2 . TRP B 185 ? 0.0926 0.1375 0.0761 0.0121 0.0109 0.0003 185 TRP B CE2 3192 C CE3 . TRP B 185 ? 0.1097 0.1152 0.0895 -0.0029 -0.0051 0.0071 185 TRP B CE3 3193 C CZ2 . TRP B 185 ? 0.0937 0.1357 0.0882 0.0116 0.0140 0.0101 185 TRP B CZ2 3194 C CZ3 . TRP B 185 ? 0.1215 0.1304 0.1032 -0.0003 -0.0067 0.0276 185 TRP B CZ3 3195 C CH2 . TRP B 185 ? 0.1110 0.1315 0.1074 0.0042 0.0034 0.0369 185 TRP B CH2 3196 N N A GLN B 186 ? 0.1494 0.0869 0.0888 -0.0341 0.0035 -0.0147 186 GLN B N 3197 N N B GLN B 186 ? 0.1440 0.0948 0.0834 -0.0339 0.0090 -0.0197 186 GLN B N 3198 C CA A GLN B 186 ? 0.1634 0.0962 0.1176 -0.0294 -0.0059 -0.0291 186 GLN B CA 3199 C CA B GLN B 186 ? 0.1524 0.1088 0.1057 -0.0295 0.0040 -0.0387 186 GLN B CA 3200 C C A GLN B 186 ? 0.1561 0.1139 0.1241 -0.0449 -0.0073 -0.0217 186 GLN B C 3201 C C B GLN B 186 ? 0.1461 0.1176 0.1224 -0.0478 -0.0011 -0.0208 186 GLN B C 3202 O O A GLN B 186 ? 0.1630 0.1093 0.1280 -0.0500 -0.0073 -0.0173 186 GLN B O 3203 O O B GLN B 186 ? 0.1441 0.1036 0.1351 -0.0613 0.0018 -0.0032 186 GLN B O 3204 C CB A GLN B 186 ? 0.1914 0.1154 0.1574 -0.0111 -0.0129 -0.0304 186 GLN B CB 3205 C CB B GLN B 186 ? 0.1738 0.1413 0.1283 -0.0096 0.0032 -0.0545 186 GLN B CB 3206 C CG A GLN B 186 ? 0.2164 0.1159 0.1973 0.0059 -0.0209 -0.0316 186 GLN B CG 3207 C CG B GLN B 186 ? 0.1921 0.1531 0.1500 0.0073 0.0062 -0.0702 186 GLN B CG 3208 C CD A GLN B 186 ? 0.2392 0.1482 0.2337 0.0013 -0.0302 -0.0269 186 GLN B CD 3209 C CD B GLN B 186 ? 0.2108 0.1645 0.1718 0.0180 0.0036 -0.0795 186 GLN B CD 3210 O OE1 A GLN B 186 ? 0.2551 0.1592 0.2482 0.0015 -0.0372 -0.0190 186 GLN B OE1 3211 O OE1 B GLN B 186 ? 0.2188 0.1570 0.1822 0.0289 -0.0096 -0.0847 186 GLN B OE1 3212 N NE2 A GLN B 186 ? 0.2423 0.1574 0.2483 0.0037 -0.0298 -0.0372 186 GLN B NE2 3213 N NE2 B GLN B 186 ? 0.2196 0.1938 0.1821 0.0023 0.0115 -0.0817 186 GLN B NE2 3214 N N . ALA B 187 ? 0.1414 0.1187 0.1260 -0.0505 -0.0115 -0.0172 187 ALA B N 3215 C CA . ALA B 187 ? 0.1418 0.1363 0.1361 -0.0580 -0.0023 0.0090 187 ALA B CA 3216 C C . ALA B 187 ? 0.1363 0.1295 0.1255 -0.0435 -0.0012 -0.0091 187 ALA B C 3217 O O . ALA B 187 ? 0.1502 0.1479 0.1292 -0.0206 0.0048 -0.0212 187 ALA B O 3218 C CB . ALA B 187 ? 0.1592 0.1482 0.1579 -0.0774 0.0173 0.0125 187 ALA B CB 3219 N N . LEU B 188 ? 0.1344 0.1157 0.1161 -0.0206 -0.0026 0.0028 188 LEU B N 3220 C CA . LEU B 188 ? 0.1260 0.1019 0.1116 -0.0107 -0.0054 -0.0026 188 LEU B CA 3221 C C . LEU B 188 ? 0.1234 0.1220 0.1059 -0.0087 -0.0122 0.0101 188 LEU B C 3222 O O . LEU B 188 ? 0.1381 0.1477 0.1132 0.0116 -0.0204 -0.0100 188 LEU B O 3223 C CB . LEU B 188 ? 0.1130 0.0895 0.1125 -0.0094 -0.0106 -0.0094 188 LEU B CB 3224 C CG . LEU B 188 ? 0.1255 0.1016 0.1192 -0.0037 0.0060 -0.0002 188 LEU B CG 3225 C CD1 . LEU B 188 ? 0.1397 0.1090 0.1219 -0.0317 -0.0036 -0.0212 188 LEU B CD1 3226 C CD2 . LEU B 188 ? 0.1207 0.1255 0.1363 -0.0011 0.0173 0.0071 188 LEU B CD2 3227 N N . ASN B 189 ? 0.1021 0.1237 0.1027 -0.0116 -0.0080 0.0159 189 ASN B N 3228 C CA . ASN B 189 ? 0.1158 0.1501 0.1002 -0.0213 0.0159 0.0197 189 ASN B CA 3229 C C . ASN B 189 ? 0.1158 0.1316 0.0892 -0.0274 0.0176 -0.0133 189 ASN B C 3230 O O . ASN B 189 ? 0.1464 0.1611 0.1009 -0.0277 0.0312 -0.0026 189 ASN B O 3231 C CB . ASN B 189 ? 0.1267 0.1899 0.1385 0.0022 0.0352 0.0324 189 ASN B CB 3232 C CG . ASN B 189 ? 0.1644 0.2788 0.1747 0.0257 0.0406 0.0489 189 ASN B CG 3233 O OD1 . ASN B 189 ? 0.2053 0.3453 0.2077 0.0593 0.0510 0.0616 189 ASN B OD1 3234 N ND2 . ASN B 189 ? 0.1596 0.2851 0.1908 0.0281 0.0261 0.0271 189 ASN B ND2 3235 N N . TYR B 190 ? 0.1285 0.1185 0.0929 -0.0402 0.0096 -0.0201 190 TYR B N 3236 C CA . TYR B 190 ? 0.1337 0.1282 0.1103 -0.0575 -0.0007 0.0005 190 TYR B CA 3237 C C . TYR B 190 ? 0.1283 0.1404 0.0991 -0.0431 -0.0017 0.0114 190 TYR B C 3238 O O . TYR B 190 ? 0.1354 0.1600 0.1194 -0.0379 0.0087 0.0098 190 TYR B O 3239 C CB . TYR B 190 ? 0.1303 0.1112 0.1497 -0.0685 -0.0083 0.0191 190 TYR B CB 3240 C CG . TYR B 190 ? 0.1318 0.1067 0.1957 -0.0264 0.0010 0.0184 190 TYR B CG 3241 C CD1 . TYR B 190 ? 0.1356 0.1099 0.2182 -0.0233 0.0041 0.0188 190 TYR B CD1 3242 C CD2 . TYR B 190 ? 0.1404 0.1153 0.2125 -0.0064 0.0267 0.0189 190 TYR B CD2 3243 C CE1 . TYR B 190 ? 0.1488 0.1399 0.2466 -0.0178 0.0330 -0.0077 190 TYR B CE1 3244 C CE2 . TYR B 190 ? 0.1449 0.1644 0.2328 0.0053 0.0302 -0.0028 190 TYR B CE2 3245 C CZ . TYR B 190 ? 0.1644 0.1843 0.2508 -0.0065 0.0371 -0.0361 190 TYR B CZ 3246 O OH . TYR B 190 ? 0.1960 0.2446 0.2815 -0.0176 0.0473 -0.0726 190 TYR B OH 3247 N N . GLU B 191 ? 0.1179 0.1438 0.0863 -0.0377 -0.0158 0.0124 191 GLU B N 3248 C CA . GLU B 191 ? 0.1163 0.1738 0.0989 -0.0024 -0.0133 0.0229 191 GLU B CA 3249 C C . GLU B 191 ? 0.1111 0.1466 0.0801 -0.0063 -0.0146 0.0180 191 GLU B C 3250 O O . GLU B 191 ? 0.1124 0.1500 0.0764 -0.0156 -0.0034 0.0074 191 GLU B O 3251 C CB . GLU B 191 ? 0.1330 0.2486 0.1555 0.0123 -0.0029 0.0264 191 GLU B CB 3252 C CG . GLU B 191 ? 0.1873 0.3353 0.2337 0.0098 0.0088 -0.0045 191 GLU B CG 3253 C CD . GLU B 191 ? 0.2358 0.4020 0.2976 0.0281 0.0040 -0.0235 191 GLU B CD 3254 O OE1 . GLU B 191 ? 0.2641 0.4033 0.3223 0.0501 0.0100 -0.0335 191 GLU B OE1 3255 O OE2 . GLU B 191 ? 0.2511 0.4490 0.3211 0.0388 0.0059 -0.0287 191 GLU B OE2 3256 N N . ILE B 192 ? 0.1086 0.1348 0.0651 -0.0261 -0.0157 0.0163 192 ILE B N 3257 C CA . ILE B 192 ? 0.1104 0.1278 0.0799 -0.0130 -0.0198 0.0051 192 ILE B CA 3258 C C . ILE B 192 ? 0.1054 0.1152 0.0858 -0.0038 -0.0219 0.0068 192 ILE B C 3259 O O . ILE B 192 ? 0.1076 0.1486 0.1116 0.0056 -0.0188 0.0146 192 ILE B O 3260 C CB . ILE B 192 ? 0.1386 0.1241 0.0879 0.0053 -0.0160 0.0156 192 ILE B CB 3261 C CG1 . ILE B 192 ? 0.1713 0.1313 0.1131 0.0097 0.0028 0.0065 192 ILE B CG1 3262 C CG2 . ILE B 192 ? 0.1403 0.1102 0.0967 0.0201 -0.0154 0.0313 192 ILE B CG2 3263 C CD1 . ILE B 192 ? 0.1912 0.1350 0.1396 0.0212 0.0082 0.0069 192 ILE B CD1 3264 N N . ARG B 193 ? 0.1110 0.1147 0.0770 0.0018 -0.0068 -0.0003 193 ARG B N 3265 C CA . ARG B 193 ? 0.1255 0.1292 0.0903 0.0182 -0.0007 -0.0139 193 ARG B CA 3266 C C . ARG B 193 ? 0.1241 0.1267 0.0718 0.0310 -0.0084 0.0316 193 ARG B C 3267 O O . ARG B 193 ? 0.1427 0.1497 0.0658 0.0114 -0.0101 0.0335 193 ARG B O 3268 C CB . ARG B 193 ? 0.1644 0.1898 0.1526 0.0154 0.0243 -0.0350 193 ARG B CB 3269 C CG . ARG B 193 ? 0.2025 0.2529 0.2102 0.0166 0.0324 -0.0493 193 ARG B CG 3270 C CD . ARG B 193 ? 0.2556 0.3414 0.2677 -0.0010 0.0422 -0.0347 193 ARG B CD 3271 N NE . ARG B 193 ? 0.3017 0.4090 0.3047 -0.0095 0.0442 -0.0302 193 ARG B NE 3272 C CZ . ARG B 193 ? 0.3214 0.4419 0.3216 -0.0222 0.0415 -0.0165 193 ARG B CZ 3273 N NH1 . ARG B 193 ? 0.3306 0.4459 0.3171 -0.0222 0.0383 -0.0058 193 ARG B NH1 3274 N NH2 . ARG B 193 ? 0.3240 0.4595 0.3356 -0.0276 0.0383 -0.0189 193 ARG B NH2 3275 N N . GLY B 194 ? 0.1159 0.1483 0.0760 0.0596 0.0036 0.0349 194 GLY B N 3276 C CA . GLY B 194 ? 0.1155 0.1381 0.0674 0.0593 0.0160 0.0349 194 GLY B CA 3277 C C . GLY B 194 ? 0.1270 0.1376 0.0687 0.0338 0.0196 0.0211 194 GLY B C 3278 O O . GLY B 194 ? 0.1421 0.1591 0.0847 0.0192 0.0267 0.0157 194 GLY B O 3279 N N . TYR B 195 ? 0.1086 0.1195 0.0590 0.0319 0.0230 0.0014 195 TYR B N 3280 C CA . TYR B 195 ? 0.1133 0.0819 0.0661 0.0278 0.0226 0.0042 195 TYR B CA 3281 C C . TYR B 195 ? 0.1161 0.0813 0.0675 0.0251 0.0109 0.0054 195 TYR B C 3282 O O . TYR B 195 ? 0.1308 0.0968 0.0635 0.0065 0.0098 -0.0053 195 TYR B O 3283 C CB . TYR B 195 ? 0.1230 0.0698 0.0690 0.0299 0.0288 -0.0040 195 TYR B CB 3284 C CG . TYR B 195 ? 0.1242 0.0780 0.0526 0.0247 0.0269 -0.0026 195 TYR B CG 3285 C CD1 . TYR B 195 ? 0.1195 0.0832 0.0570 0.0100 0.0351 -0.0140 195 TYR B CD1 3286 C CD2 . TYR B 195 ? 0.1204 0.1025 0.0589 0.0210 0.0161 -0.0133 195 TYR B CD2 3287 C CE1 . TYR B 195 ? 0.1059 0.0817 0.0537 0.0135 0.0190 -0.0213 195 TYR B CE1 3288 C CE2 . TYR B 195 ? 0.1049 0.0981 0.0592 0.0157 0.0170 -0.0343 195 TYR B CE2 3289 C CZ . TYR B 195 ? 0.0975 0.0888 0.0512 0.0140 0.0160 -0.0296 195 TYR B CZ 3290 O OH . TYR B 195 ? 0.1010 0.1418 0.0482 0.0144 0.0195 -0.0101 195 TYR B OH 3291 N N . VAL B 196 ? 0.1016 0.0658 0.0690 0.0338 0.0138 0.0082 196 VAL B N 3292 C CA . VAL B 196 ? 0.1061 0.0827 0.0644 0.0312 0.0201 -0.0216 196 VAL B CA 3293 C C . VAL B 196 ? 0.1041 0.0913 0.0557 0.0138 0.0088 -0.0297 196 VAL B C 3294 O O . VAL B 196 ? 0.1076 0.1186 0.0695 0.0251 0.0114 -0.0158 196 VAL B O 3295 C CB . VAL B 196 ? 0.1176 0.0823 0.0659 0.0394 0.0314 -0.0024 196 VAL B CB 3296 C CG1 . VAL B 196 ? 0.1313 0.0844 0.0558 0.0212 0.0352 -0.0035 196 VAL B CG1 3297 C CG2 . VAL B 196 ? 0.1279 0.0928 0.0657 0.0311 0.0290 0.0143 196 VAL B CG2 3298 N N . ILE B 197 ? 0.1133 0.0973 0.0443 0.0135 0.0022 -0.0243 197 ILE B N 3299 C CA . ILE B 197 ? 0.0940 0.0770 0.0482 0.0151 0.0060 -0.0161 197 ILE B CA 3300 C C . ILE B 197 ? 0.1004 0.0798 0.0608 0.0073 -0.0112 -0.0132 197 ILE B C 3301 O O . ILE B 197 ? 0.1259 0.0993 0.0714 -0.0120 -0.0305 -0.0017 197 ILE B O 3302 C CB . ILE B 197 ? 0.1082 0.1026 0.0426 0.0230 0.0082 -0.0197 197 ILE B CB 3303 C CG1 . ILE B 197 ? 0.1027 0.1138 0.0462 0.0195 -0.0029 -0.0173 197 ILE B CG1 3304 C CG2 . ILE B 197 ? 0.1317 0.1404 0.0518 0.0310 0.0087 -0.0203 197 ILE B CG2 3305 C CD1 . ILE B 197 ? 0.1205 0.1397 0.0436 0.0033 -0.0189 -0.0149 197 ILE B CD1 3306 N N . ILE B 198 ? 0.0971 0.0743 0.0666 0.0030 -0.0145 -0.0182 198 ILE B N 3307 C CA . ILE B 198 ? 0.1033 0.0808 0.0732 0.0101 -0.0068 -0.0084 198 ILE B CA 3308 C C . ILE B 198 ? 0.1177 0.0803 0.0625 0.0122 -0.0088 -0.0207 198 ILE B C 3309 O O . ILE B 198 ? 0.1357 0.1144 0.0733 0.0197 -0.0040 -0.0291 198 ILE B O 3310 C CB . ILE B 198 ? 0.1073 0.0946 0.0948 0.0177 0.0204 -0.0004 198 ILE B CB 3311 C CG1 . ILE B 198 ? 0.1006 0.1367 0.1371 0.0143 0.0430 -0.0008 198 ILE B CG1 3312 C CG2 . ILE B 198 ? 0.1227 0.0969 0.1128 0.0233 0.0154 0.0001 198 ILE B CG2 3313 C CD1 . ILE B 198 ? 0.1146 0.1865 0.1646 0.0041 0.0508 0.0120 198 ILE B CD1 3314 N N . LYS B 199 ? 0.1302 0.0928 0.0526 0.0138 0.0006 -0.0308 199 LYS B N 3315 C CA . LYS B 199 ? 0.1195 0.0897 0.0532 0.0004 0.0087 -0.0344 199 LYS B CA 3316 C C . LYS B 199 ? 0.1239 0.0937 0.0641 0.0051 0.0161 -0.0395 199 LYS B C 3317 O O . LYS B 199 ? 0.1151 0.0901 0.0571 -0.0144 0.0200 -0.0329 199 LYS B O 3318 C CB . LYS B 199 ? 0.1454 0.0896 0.0651 -0.0044 0.0128 -0.0177 199 LYS B CB 3319 C CG . LYS B 199 ? 0.1901 0.1348 0.0778 -0.0036 0.0124 -0.0032 199 LYS B CG 3320 C CD . LYS B 199 ? 0.2505 0.1565 0.0732 -0.0095 0.0014 -0.0045 199 LYS B CD 3321 C CE . LYS B 199 ? 0.2913 0.1914 0.0863 -0.0118 0.0095 -0.0364 199 LYS B CE 3322 N NZ . LYS B 199 ? 0.3332 0.2487 0.1073 -0.0073 0.0249 -0.0560 199 LYS B NZ 3323 N N . PRO B 200 ? 0.1373 0.0885 0.0651 0.0118 0.0222 -0.0310 200 PRO B N 3324 C CA . PRO B 200 ? 0.1470 0.0778 0.0838 0.0012 0.0260 -0.0363 200 PRO B CA 3325 C C . PRO B 200 ? 0.1429 0.0739 0.0858 -0.0031 0.0434 -0.0220 200 PRO B C 3326 O O . PRO B 200 ? 0.1390 0.1039 0.1041 -0.0079 0.0425 -0.0032 200 PRO B O 3327 C CB . PRO B 200 ? 0.1675 0.0965 0.0845 -0.0055 0.0190 -0.0378 200 PRO B CB 3328 C CG . PRO B 200 ? 0.1971 0.1253 0.0940 0.0025 0.0144 -0.0333 200 PRO B CG 3329 C CD . PRO B 200 ? 0.1873 0.1094 0.0739 0.0020 0.0158 -0.0280 200 PRO B CD 3330 N N . LEU B 201 ? 0.1408 0.0986 0.0973 0.0099 0.0348 -0.0146 201 LEU B N 3331 C CA . LEU B 201 ? 0.1481 0.1220 0.1252 -0.0031 0.0277 0.0026 201 LEU B CA 3332 C C . LEU B 201 ? 0.1392 0.1218 0.1593 0.0133 0.0352 -0.0003 201 LEU B C 3333 O O . LEU B 201 ? 0.1511 0.1589 0.2233 0.0277 0.0443 0.0123 201 LEU B O 3334 C CB . LEU B 201 ? 0.1540 0.1721 0.1192 -0.0326 0.0129 -0.0080 201 LEU B CB 3335 C CG . LEU B 201 ? 0.1904 0.2161 0.1301 -0.0268 0.0189 -0.0083 201 LEU B CG 3336 C CD1 . LEU B 201 ? 0.1936 0.1851 0.1144 -0.0388 0.0163 -0.0239 201 LEU B CD1 3337 C CD2 . LEU B 201 ? 0.2055 0.2510 0.1495 -0.0374 0.0184 0.0041 201 LEU B CD2 3338 N N . VAL B 202 ? 0.1307 0.0878 0.1263 0.0286 0.0329 -0.0128 202 VAL B N 3339 C CA . VAL B 202 ? 0.1429 0.1047 0.1187 0.0382 0.0277 -0.0108 202 VAL B CA 3340 C C . VAL B 202 ? 0.1467 0.1401 0.1286 0.0382 0.0290 -0.0115 202 VAL B C 3341 O O . VAL B 202 ? 0.1603 0.1223 0.1311 0.0625 0.0223 -0.0292 202 VAL B O 3342 C CB . VAL B 202 ? 0.1481 0.1433 0.1004 0.0292 0.0266 -0.0157 202 VAL B CB 3343 C CG1 . VAL B 202 ? 0.1671 0.1755 0.1011 0.0223 0.0264 -0.0254 202 VAL B CG1 3344 C CG2 . VAL B 202 ? 0.1426 0.1452 0.1079 0.0333 0.0365 -0.0046 202 VAL B CG2 3345 N N . TRP B 203 ? 0.1364 0.1624 0.1244 0.0352 0.0276 -0.0184 203 TRP B N 3346 C CA . TRP B 203 ? 0.1661 0.1894 0.1247 0.0389 0.0239 -0.0113 203 TRP B CA 3347 C C . TRP B 203 ? 0.2416 0.2845 0.1669 0.0366 0.0125 -0.0027 203 TRP B C 3348 O O . TRP B 203 ? 0.2596 0.3261 0.1926 0.0115 0.0057 -0.0009 203 TRP B O 3349 C CB . TRP B 203 ? 0.1379 0.1535 0.0962 0.0009 0.0226 -0.0125 203 TRP B CB 3350 C CG . TRP B 203 ? 0.1399 0.1234 0.0853 -0.0278 0.0295 -0.0096 203 TRP B CG 3351 C CD1 . TRP B 203 ? 0.1507 0.0903 0.0646 -0.0074 0.0289 0.0033 203 TRP B CD1 3352 C CD2 . TRP B 203 ? 0.1286 0.1116 0.0671 -0.0299 0.0293 -0.0055 203 TRP B CD2 3353 N NE1 . TRP B 203 ? 0.1717 0.0971 0.0673 0.0013 0.0360 0.0034 203 TRP B NE1 3354 C CE2 . TRP B 203 ? 0.1407 0.0800 0.0595 -0.0212 0.0310 0.0022 203 TRP B CE2 3355 C CE3 . TRP B 203 ? 0.1171 0.1530 0.0747 -0.0176 0.0295 -0.0143 203 TRP B CE3 3356 C CZ2 . TRP B 203 ? 0.1282 0.0824 0.0650 -0.0013 0.0302 0.0100 203 TRP B CZ2 3357 C CZ3 . TRP B 203 ? 0.1155 0.1705 0.0747 -0.0237 0.0266 -0.0126 203 TRP B CZ3 3358 C CH2 . TRP B 203 ? 0.1160 0.1256 0.0678 -0.0188 0.0282 0.0037 203 TRP B CH2 3359 N N . VAL B 204 ? 0.3162 0.3612 0.2087 0.0313 0.0316 0.0144 204 VAL B N 3360 C CA . VAL B 204 ? 0.3969 0.4659 0.2863 0.0275 0.0591 -0.0071 204 VAL B CA 3361 C C . VAL B 204 ? 0.4381 0.5323 0.3527 0.0297 0.0866 -0.0187 204 VAL B C 3362 O O . VAL B 204 ? 0.4524 0.5535 0.3767 0.0380 0.0952 -0.0238 204 VAL B O 3363 C CB . VAL B 204 ? 0.4237 0.5052 0.2960 0.0101 0.0625 -0.0095 204 VAL B CB 3364 C CG1 . VAL B 204 ? 0.4349 0.5257 0.2973 0.0064 0.0625 -0.0153 204 VAL B CG1 3365 C CG2 . VAL B 204 ? 0.4318 0.5221 0.3020 0.0137 0.0668 -0.0172 204 VAL B CG2 3366 O OXT . VAL B 204 ? 0.4574 0.5609 0.3746 0.0285 0.0981 -0.0180 204 VAL B OXT 3367 N N . HIS C 1 ? 0.2965 0.1670 0.0937 -0.0211 0.0067 -0.0281 1 HIS C N 3368 C CA . HIS C 1 ? 0.2818 0.1486 0.1056 -0.0075 0.0125 -0.0280 1 HIS C CA 3369 C C . HIS C 1 ? 0.2646 0.1278 0.1045 0.0187 0.0206 -0.0307 1 HIS C C 3370 O O . HIS C 1 ? 0.2899 0.1392 0.1138 0.0247 0.0173 -0.0369 1 HIS C O 3371 C CB . HIS C 1 ? 0.2987 0.1620 0.1295 -0.0204 0.0138 -0.0541 1 HIS C CB 3372 C CG . HIS C 1 ? 0.3276 0.2217 0.1795 -0.0197 0.0109 -0.0488 1 HIS C CG 3373 N ND1 . HIS C 1 ? 0.3493 0.2599 0.1983 -0.0132 -0.0008 -0.0349 1 HIS C ND1 3374 C CD2 . HIS C 1 ? 0.3321 0.2576 0.2038 -0.0040 0.0138 -0.0329 1 HIS C CD2 3375 C CE1 . HIS C 1 ? 0.3428 0.2666 0.2096 0.0020 -0.0060 -0.0275 1 HIS C CE1 3376 N NE2 . HIS C 1 ? 0.3399 0.2799 0.2131 0.0013 -0.0022 -0.0305 1 HIS C NE2 3377 N N . THR C 2 ? 0.2344 0.1167 0.0950 0.0119 0.0311 -0.0366 2 THR C N 3378 C CA . THR C 2 ? 0.2185 0.1313 0.0983 -0.0085 0.0302 -0.0312 2 THR C CA 3379 C C . THR C 2 ? 0.1708 0.1068 0.0749 0.0011 0.0095 -0.0409 2 THR C C 3380 O O . THR C 2 ? 0.1621 0.1099 0.0724 0.0273 0.0099 -0.0184 2 THR C O 3381 C CB . THR C 2 ? 0.2493 0.1796 0.1324 -0.0498 0.0413 -0.0129 2 THR C CB 3382 O OG1 . THR C 2 ? 0.2939 0.2223 0.1811 -0.0638 0.0566 0.0075 2 THR C OG1 3383 C CG2 . THR C 2 ? 0.2471 0.1970 0.1412 -0.0817 0.0325 -0.0375 2 THR C CG2 3384 N N . ASP C 3 ? 0.1324 0.0909 0.0752 -0.0141 0.0058 -0.0443 3 ASP C N 3385 C CA . ASP C 3 ? 0.1169 0.0815 0.0945 0.0036 0.0201 -0.0385 3 ASP C CA 3386 C C . ASP C 3 ? 0.1081 0.0877 0.1019 0.0050 0.0262 -0.0486 3 ASP C C 3387 O O . ASP C 3 ? 0.1094 0.1030 0.1167 0.0048 0.0218 -0.0597 3 ASP C O 3388 C CB . ASP C 3 ? 0.1496 0.0777 0.1164 -0.0093 0.0022 -0.0521 3 ASP C CB 3389 C CG . ASP C 3 ? 0.1877 0.0703 0.1326 -0.0099 -0.0107 -0.0407 3 ASP C CG 3390 O OD1 . ASP C 3 ? 0.1667 0.0619 0.1270 -0.0301 -0.0019 -0.0269 3 ASP C OD1 3391 O OD2 . ASP C 3 ? 0.2532 0.1085 0.1626 0.0075 -0.0124 -0.0385 3 ASP C OD2 3392 N N . LEU C 4 ? 0.0929 0.0844 0.0790 0.0059 0.0187 -0.0431 4 LEU C N 3393 C CA . LEU C 4 ? 0.0954 0.0533 0.0764 0.0044 -0.0014 -0.0355 4 LEU C CA 3394 C C . LEU C 4 ? 0.1026 0.0639 0.0933 -0.0060 0.0018 -0.0374 4 LEU C C 3395 O O . LEU C 4 ? 0.0994 0.0635 0.0979 -0.0055 -0.0022 -0.0376 4 LEU C O 3396 C CB . LEU C 4 ? 0.1292 0.0577 0.0766 0.0090 0.0005 -0.0109 4 LEU C CB 3397 C CG . LEU C 4 ? 0.1630 0.0526 0.0946 0.0089 0.0169 0.0024 4 LEU C CG 3398 C CD1 . LEU C 4 ? 0.1993 0.0795 0.1079 0.0211 0.0091 0.0286 4 LEU C CD1 3399 C CD2 . LEU C 4 ? 0.1751 0.0857 0.1063 0.0003 0.0325 0.0074 4 LEU C CD2 3400 N N . SER C 5 ? 0.1165 0.0849 0.0990 -0.0240 -0.0181 -0.0225 5 SER C N 3401 C CA . SER C 5 ? 0.1522 0.0956 0.1010 -0.0267 0.0019 -0.0073 5 SER C CA 3402 C C . SER C 5 ? 0.1511 0.0802 0.0996 -0.0097 0.0012 -0.0069 5 SER C C 3403 O O . SER C 5 ? 0.1559 0.0948 0.1118 0.0015 0.0120 -0.0071 5 SER C O 3404 C CB . SER C 5 ? 0.1838 0.1426 0.1279 -0.0372 -0.0055 0.0268 5 SER C CB 3405 O OG . SER C 5 ? 0.2086 0.1903 0.1568 -0.0532 0.0018 0.0153 5 SER C OG 3406 N N . GLY C 6 ? 0.1520 0.0674 0.1031 -0.0126 0.0032 0.0033 6 GLY C N 3407 C CA . GLY C 6 ? 0.1466 0.0676 0.1001 -0.0272 -0.0029 -0.0019 6 GLY C CA 3408 C C . GLY C 6 ? 0.1316 0.0616 0.0976 -0.0076 -0.0063 -0.0258 6 GLY C C 3409 O O . GLY C 6 ? 0.1323 0.0883 0.1056 -0.0015 -0.0239 -0.0240 6 GLY C O 3410 N N . LYS C 7 ? 0.1229 0.0406 0.0923 0.0001 0.0013 -0.0226 7 LYS C N 3411 C CA . LYS C 7 ? 0.1247 0.0510 0.0880 -0.0059 -0.0007 -0.0090 7 LYS C CA 3412 C C . LYS C 7 ? 0.1003 0.0618 0.0676 -0.0137 -0.0043 -0.0131 7 LYS C C 3413 O O . LYS C 7 ? 0.1090 0.0846 0.0809 -0.0147 -0.0048 -0.0204 7 LYS C O 3414 C CB . LYS C 7 ? 0.1689 0.0631 0.1126 -0.0051 0.0035 -0.0027 7 LYS C CB 3415 C CG . LYS C 7 ? 0.2206 0.0913 0.1504 0.0106 0.0237 -0.0046 7 LYS C CG 3416 C CD . LYS C 7 ? 0.2576 0.1350 0.2003 0.0327 0.0286 -0.0117 7 LYS C CD 3417 C CE . LYS C 7 ? 0.2978 0.2105 0.2497 0.0405 0.0337 -0.0053 7 LYS C CE 3418 N NZ . LYS C 7 ? 0.3485 0.2710 0.2805 0.0279 0.0351 -0.0049 7 LYS C NZ 3419 N N . VAL C 8 ? 0.0976 0.0280 0.0649 -0.0080 -0.0019 -0.0061 8 VAL C N 3420 C CA . VAL C 8 ? 0.0912 0.0516 0.0412 -0.0132 -0.0021 -0.0128 8 VAL C CA 3421 C C . VAL C 8 ? 0.0802 0.0675 0.0412 -0.0164 0.0080 -0.0185 8 VAL C C 3422 O O . VAL C 8 ? 0.0865 0.0696 0.0517 0.0044 0.0161 -0.0129 8 VAL C O 3423 C CB . VAL C 8 ? 0.1103 0.0924 0.0559 -0.0191 0.0039 -0.0040 8 VAL C CB 3424 C CG1 . VAL C 8 ? 0.1261 0.1471 0.0650 -0.0154 0.0102 0.0064 8 VAL C CG1 3425 C CG2 . VAL C 8 ? 0.1158 0.1120 0.0738 -0.0210 -0.0172 -0.0060 8 VAL C CG2 3426 N N . PHE C 9 ? 0.0859 0.0590 0.0386 0.0120 0.0046 -0.0055 9 PHE C N 3427 C CA . PHE C 9 ? 0.0996 0.0561 0.0458 0.0050 0.0107 -0.0153 9 PHE C CA 3428 C C . PHE C 9 ? 0.0964 0.0507 0.0324 0.0010 0.0097 -0.0101 9 PHE C C 3429 O O . PHE C 9 ? 0.0942 0.0828 0.0409 -0.0167 0.0093 -0.0130 9 PHE C O 3430 C CB . PHE C 9 ? 0.1127 0.0624 0.0470 0.0046 -0.0037 -0.0056 9 PHE C CB 3431 C CG . PHE C 9 ? 0.1160 0.0881 0.0571 -0.0115 -0.0045 -0.0272 9 PHE C CG 3432 C CD1 . PHE C 9 ? 0.1343 0.1325 0.0655 -0.0153 -0.0149 -0.0426 9 PHE C CD1 3433 C CD2 . PHE C 9 ? 0.1126 0.0906 0.0738 -0.0252 -0.0079 -0.0162 9 PHE C CD2 3434 C CE1 . PHE C 9 ? 0.1415 0.1455 0.0775 -0.0138 -0.0257 -0.0407 9 PHE C CE1 3435 C CE2 . PHE C 9 ? 0.1143 0.1109 0.0751 -0.0287 -0.0228 -0.0151 9 PHE C CE2 3436 C CZ . PHE C 9 ? 0.1368 0.1298 0.0814 -0.0325 -0.0334 -0.0333 9 PHE C CZ 3437 N N . VAL C 10 ? 0.0823 0.0747 0.0385 -0.0095 -0.0005 -0.0256 10 VAL C N 3438 C CA . VAL C 10 ? 0.0831 0.0727 0.0421 -0.0109 0.0123 -0.0247 10 VAL C CA 3439 C C . VAL C 10 ? 0.0862 0.0694 0.0463 -0.0037 0.0242 -0.0093 10 VAL C C 3440 O O . VAL C 10 ? 0.0881 0.0817 0.0594 0.0136 0.0257 -0.0077 10 VAL C O 3441 C CB . VAL C 10 ? 0.0841 0.0885 0.0624 -0.0185 0.0138 -0.0125 10 VAL C CB 3442 C CG1 . VAL C 10 ? 0.0834 0.1108 0.0708 -0.0185 0.0078 0.0064 10 VAL C CG1 3443 C CG2 . VAL C 10 ? 0.1082 0.1014 0.0811 -0.0018 0.0109 -0.0024 10 VAL C CG2 3444 N N . PHE C 11 ? 0.0914 0.0637 0.0468 -0.0042 0.0212 -0.0009 11 PHE C N 3445 C CA . PHE C 11 ? 0.0930 0.0575 0.0413 0.0021 0.0153 -0.0190 11 PHE C CA 3446 C C . PHE C 11 ? 0.0999 0.0741 0.0404 0.0038 0.0116 -0.0227 11 PHE C C 3447 O O . PHE C 11 ? 0.1025 0.0803 0.0382 -0.0047 0.0241 -0.0075 11 PHE C O 3448 C CB . PHE C 11 ? 0.0936 0.0666 0.0448 0.0066 -0.0046 -0.0233 11 PHE C CB 3449 C CG . PHE C 11 ? 0.1007 0.0712 0.0523 0.0151 -0.0035 -0.0303 11 PHE C CG 3450 C CD1 . PHE C 11 ? 0.1092 0.0874 0.0641 -0.0005 0.0099 -0.0415 11 PHE C CD1 3451 C CD2 . PHE C 11 ? 0.1148 0.0895 0.0714 0.0209 -0.0020 -0.0280 11 PHE C CD2 3452 C CE1 . PHE C 11 ? 0.1196 0.1204 0.0889 0.0185 0.0266 -0.0437 11 PHE C CE1 3453 C CE2 . PHE C 11 ? 0.1185 0.0938 0.0754 0.0498 -0.0138 -0.0285 11 PHE C CE2 3454 C CZ . PHE C 11 ? 0.1162 0.1222 0.0910 0.0482 0.0029 -0.0410 11 PHE C CZ 3455 N N . PRO C 12 ? 0.0979 0.0833 0.0417 -0.0107 0.0240 -0.0163 12 PRO C N 3456 C CA . PRO C 12 ? 0.1036 0.0846 0.0436 -0.0062 0.0193 -0.0204 12 PRO C CA 3457 C C . PRO C 12 ? 0.1208 0.0895 0.0528 0.0000 0.0096 -0.0095 12 PRO C C 3458 O O . PRO C 12 ? 0.1389 0.1147 0.0572 0.0038 -0.0073 -0.0041 12 PRO C O 3459 C CB . PRO C 12 ? 0.1046 0.1111 0.0584 -0.0090 0.0272 -0.0324 12 PRO C CB 3460 C CG . PRO C 12 ? 0.1051 0.1002 0.0641 -0.0206 0.0329 -0.0328 12 PRO C CG 3461 C CD . PRO C 12 ? 0.1068 0.1087 0.0526 -0.0188 0.0307 -0.0209 12 PRO C CD 3462 N N . ARG C 13 ? 0.1319 0.0773 0.0721 -0.0162 0.0116 0.0128 13 ARG C N 3463 C CA . ARG C 13 ? 0.1402 0.0812 0.1019 -0.0161 0.0083 0.0157 13 ARG C CA 3464 C C . ARG C 13 ? 0.1368 0.0772 0.1128 -0.0058 -0.0037 -0.0001 13 ARG C C 3465 O O . ARG C 13 ? 0.1302 0.1038 0.1262 0.0033 -0.0192 -0.0116 13 ARG C O 3466 C CB . ARG C 13 ? 0.1666 0.1063 0.1148 -0.0399 0.0168 0.0065 13 ARG C CB 3467 C CG . ARG C 13 ? 0.1994 0.1405 0.1233 -0.0533 0.0313 0.0106 13 ARG C CG 3468 C CD . ARG C 13 ? 0.2110 0.1465 0.1345 -0.0467 0.0234 0.0142 13 ARG C CD 3469 N NE . ARG C 13 ? 0.2162 0.1259 0.1347 -0.0355 0.0326 0.0183 13 ARG C NE 3470 C CZ . ARG C 13 ? 0.2161 0.1802 0.1603 -0.0539 0.0440 0.0351 13 ARG C CZ 3471 N NH1 . ARG C 13 ? 0.2431 0.2395 0.1788 -0.0731 0.0582 0.0284 13 ARG C NH1 3472 N NH2 . ARG C 13 ? 0.1907 0.1925 0.1577 -0.0642 0.0457 0.0474 13 ARG C NH2 3473 N N . GLU C 14 ? 0.1377 0.0592 0.1239 -0.0077 0.0088 0.0031 14 GLU C N 3474 C CA . GLU C 14 ? 0.1549 0.0800 0.1439 -0.0122 0.0098 0.0036 14 GLU C CA 3475 C C . GLU C 14 ? 0.1506 0.0889 0.1544 -0.0066 0.0249 0.0092 14 GLU C C 3476 O O . GLU C 14 ? 0.1404 0.1384 0.1611 0.0209 0.0270 0.0329 14 GLU C O 3477 C CB . GLU C 14 ? 0.1826 0.0886 0.1763 -0.0304 0.0181 -0.0186 14 GLU C CB 3478 C CG . GLU C 14 ? 0.2193 0.1267 0.2085 -0.0447 0.0383 -0.0429 14 GLU C CG 3479 C CD . GLU C 14 ? 0.2646 0.1975 0.2476 -0.0663 0.0503 -0.0707 14 GLU C CD 3480 O OE1 . GLU C 14 ? 0.2729 0.2263 0.2505 -0.0660 0.0585 -0.0941 14 GLU C OE1 3481 O OE2 . GLU C 14 ? 0.3034 0.2603 0.2790 -0.0654 0.0417 -0.0811 14 GLU C OE2 3482 N N . SER C 15 ? 0.1574 0.0890 0.1493 -0.0130 0.0333 0.0102 15 SER C N 3483 C CA . SER C 15 ? 0.1615 0.0982 0.1429 -0.0104 0.0365 0.0163 15 SER C CA 3484 C C . SER C 15 ? 0.1524 0.0851 0.1398 -0.0001 0.0404 0.0292 15 SER C C 3485 O O . SER C 15 ? 0.1474 0.0998 0.1374 0.0102 0.0417 0.0324 15 SER C O 3486 C CB . SER C 15 ? 0.1656 0.1259 0.1424 -0.0203 0.0432 0.0091 15 SER C CB 3487 O OG . SER C 15 ? 0.1707 0.1311 0.1269 0.0088 0.0295 0.0011 15 SER C OG 3488 N N . VAL C 16 ? 0.1822 0.1022 0.1519 -0.0116 0.0364 0.0192 16 VAL C N 3489 C CA . VAL C 16 ? 0.1965 0.1226 0.1779 0.0142 0.0372 0.0470 16 VAL C CA 3490 C C . VAL C 16 ? 0.1948 0.1558 0.1755 -0.0037 0.0104 0.0489 16 VAL C C 3491 O O . VAL C 16 ? 0.1988 0.2125 0.2042 0.0025 0.0036 0.0326 16 VAL C O 3492 C CB . VAL C 16 ? 0.2290 0.1472 0.2121 0.0310 0.0481 0.0615 16 VAL C CB 3493 C CG1 . VAL C 16 ? 0.2408 0.1438 0.2145 0.0191 0.0518 0.0766 16 VAL C CG1 3494 C CG2 . VAL C 16 ? 0.2447 0.1822 0.2366 0.0365 0.0561 0.0480 16 VAL C CG2 3495 N N . THR C 17 ? 0.1945 0.1606 0.1562 -0.0297 0.0060 0.0444 17 THR C N 3496 C CA . THR C 17 ? 0.2147 0.1568 0.1555 -0.0443 0.0098 0.0413 17 THR C CA 3497 C C . THR C 17 ? 0.1893 0.1341 0.1230 -0.0431 -0.0071 0.0327 17 THR C C 3498 O O . THR C 17 ? 0.2079 0.1524 0.1245 -0.0413 -0.0183 0.0249 17 THR C O 3499 C CB . THR C 17 ? 0.2390 0.1810 0.1822 -0.0566 0.0395 0.0311 17 THR C CB 3500 O OG1 . THR C 17 ? 0.2338 0.1941 0.1925 -0.0606 0.0555 0.0272 17 THR C OG1 3501 C CG2 . THR C 17 ? 0.2588 0.1836 0.2012 -0.0611 0.0546 0.0272 17 THR C CG2 3502 N N . ASP C 18 ? 0.1601 0.1124 0.0985 -0.0102 0.0034 0.0233 18 ASP C N 3503 C CA . ASP C 18 ? 0.1427 0.0953 0.0891 -0.0119 0.0090 0.0034 18 ASP C CA 3504 C C . ASP C 18 ? 0.1244 0.0933 0.0716 0.0026 0.0040 0.0019 18 ASP C C 3505 O O . ASP C 18 ? 0.1305 0.1023 0.0619 -0.0164 0.0033 -0.0068 18 ASP C O 3506 C CB . ASP C 18 ? 0.1370 0.1005 0.1116 -0.0054 0.0141 -0.0009 18 ASP C CB 3507 C CG . ASP C 18 ? 0.1566 0.1375 0.1334 -0.0214 0.0250 -0.0112 18 ASP C CG 3508 O OD1 . ASP C 18 ? 0.1557 0.1332 0.1323 -0.0276 0.0384 0.0066 18 ASP C OD1 3509 O OD2 . ASP C 18 ? 0.1569 0.1483 0.1487 -0.0224 0.0226 -0.0333 18 ASP C OD2 3510 N N . HIS C 19 ? 0.1136 0.0757 0.0759 -0.0131 0.0200 0.0079 19 HIS C N 3511 C CA . HIS C 19 ? 0.1114 0.0805 0.0610 0.0090 0.0136 -0.0112 19 HIS C CA 3512 C C . HIS C 19 ? 0.1129 0.0810 0.0543 0.0115 0.0198 -0.0227 19 HIS C C 3513 O O . HIS C 19 ? 0.1391 0.0989 0.0618 0.0001 0.0196 -0.0351 19 HIS C O 3514 C CB . HIS C 19 ? 0.1311 0.0811 0.0719 0.0062 0.0121 -0.0086 19 HIS C CB 3515 C CG . HIS C 19 ? 0.1594 0.0951 0.0852 0.0073 0.0040 -0.0035 19 HIS C CG 3516 N ND1 . HIS C 19 ? 0.1886 0.1229 0.0906 -0.0018 0.0081 0.0255 19 HIS C ND1 3517 C CD2 . HIS C 19 ? 0.1817 0.1191 0.0867 0.0386 -0.0007 0.0136 19 HIS C CD2 3518 C CE1 . HIS C 19 ? 0.1976 0.1420 0.0889 0.0064 0.0081 0.0409 19 HIS C CE1 3519 N NE2 . HIS C 19 ? 0.1955 0.1515 0.0885 0.0322 -0.0003 0.0305 19 HIS C NE2 3520 N N . VAL C 20 ? 0.1012 0.0778 0.0450 0.0052 0.0125 -0.0177 20 VAL C N 3521 C CA . VAL C 20 ? 0.1196 0.0769 0.0494 0.0220 0.0168 -0.0170 20 VAL C CA 3522 C C . VAL C 20 ? 0.1140 0.0685 0.0475 0.0162 0.0100 -0.0182 20 VAL C C 3523 O O . VAL C 20 ? 0.1070 0.1072 0.0555 0.0261 0.0046 -0.0121 20 VAL C O 3524 C CB . VAL C 20 ? 0.1443 0.0653 0.0580 0.0274 0.0074 -0.0077 20 VAL C CB 3525 C CG1 . VAL C 20 ? 0.1497 0.0776 0.0843 0.0184 -0.0205 -0.0089 20 VAL C CG1 3526 C CG2 . VAL C 20 ? 0.1554 0.0891 0.0627 0.0415 0.0098 -0.0064 20 VAL C CG2 3527 N N . ASN C 21 ? 0.1289 0.0762 0.0576 0.0143 0.0197 -0.0194 21 ASN C N 3528 C CA . ASN C 21 ? 0.1388 0.0919 0.0600 0.0232 0.0110 -0.0092 21 ASN C CA 3529 C C . ASN C 21 ? 0.1272 0.0870 0.0689 0.0142 0.0062 -0.0041 21 ASN C C 3530 O O . ASN C 21 ? 0.1413 0.1051 0.0746 -0.0013 0.0081 -0.0150 21 ASN C O 3531 C CB . ASN C 21 ? 0.1712 0.1221 0.0597 0.0043 0.0058 0.0048 21 ASN C CB 3532 C CG . ASN C 21 ? 0.2024 0.1396 0.0801 0.0046 0.0179 0.0153 21 ASN C CG 3533 O OD1 . ASN C 21 ? 0.2145 0.1526 0.1107 -0.0030 0.0213 0.0061 21 ASN C OD1 3534 N ND2 . ASN C 21 ? 0.2218 0.1921 0.1074 -0.0088 0.0320 0.0062 21 ASN C ND2 3535 N N . LEU C 22 ? 0.1245 0.0698 0.0934 0.0038 0.0080 0.0008 22 LEU C N 3536 C CA . LEU C 22 ? 0.1348 0.0665 0.1031 0.0065 -0.0032 -0.0119 22 LEU C CA 3537 C C . LEU C 22 ? 0.1587 0.0975 0.1242 0.0031 -0.0189 -0.0262 22 LEU C C 3538 O O . LEU C 22 ? 0.1665 0.1279 0.1434 0.0199 -0.0218 -0.0297 22 LEU C O 3539 C CB . LEU C 22 ? 0.1355 0.0718 0.1136 -0.0084 0.0097 -0.0081 22 LEU C CB 3540 C CG . LEU C 22 ? 0.1450 0.0747 0.1213 -0.0020 0.0152 0.0139 22 LEU C CG 3541 C CD1 . LEU C 22 ? 0.1489 0.0681 0.1244 -0.0124 0.0262 0.0291 22 LEU C CD1 3542 C CD2 . LEU C 22 ? 0.1520 0.1040 0.1284 0.0163 0.0028 0.0116 22 LEU C CD2 3543 N N . ILE C 23 ? 0.1789 0.1091 0.1248 0.0123 -0.0378 -0.0413 23 ILE C N 3544 C CA . ILE C 23 ? 0.2048 0.1629 0.1473 0.0420 -0.0524 -0.0386 23 ILE C CA 3545 C C . ILE C 23 ? 0.1990 0.1880 0.1907 0.0284 -0.0752 -0.0422 23 ILE C C 3546 O O . ILE C 23 ? 0.1910 0.1798 0.2045 0.0192 -0.0895 -0.0388 23 ILE C O 3547 C CB . ILE C 23 ? 0.2532 0.2361 0.1445 0.0378 -0.0394 -0.0388 23 ILE C CB 3548 C CG1 . ILE C 23 ? 0.2997 0.2790 0.1559 0.0314 -0.0050 -0.0312 23 ILE C CG1 3549 C CG2 . ILE C 23 ? 0.2663 0.2609 0.1477 0.0355 -0.0519 -0.0455 23 ILE C CG2 3550 C CD1 . ILE C 23 ? 0.3254 0.3020 0.1713 0.0296 0.0112 -0.0313 23 ILE C CD1 3551 N N . THR C 24 ? 0.2256 0.2585 0.2400 0.0083 -0.0536 -0.0256 24 THR C N 3552 C CA . THR C 24 ? 0.2584 0.3272 0.2759 -0.0076 -0.0382 -0.0053 24 THR C CA 3553 C C . THR C 24 ? 0.2813 0.4078 0.3070 0.0049 -0.0330 -0.0120 24 THR C C 3554 O O . THR C 24 ? 0.2813 0.4312 0.3139 0.0200 -0.0400 0.0073 24 THR C O 3555 C CB . THR C 24 ? 0.2699 0.3304 0.2688 -0.0450 -0.0346 0.0253 24 THR C CB 3556 O OG1 . THR C 24 ? 0.2769 0.3282 0.2573 -0.0624 -0.0448 0.0401 24 THR C OG1 3557 C CG2 . THR C 24 ? 0.2810 0.3462 0.2781 -0.0532 -0.0154 0.0146 24 THR C CG2 3558 N N . PRO C 25 ? 0.3120 0.4730 0.3319 -0.0081 -0.0327 -0.0415 25 PRO C N 3559 C CA . PRO C 25 ? 0.3385 0.5179 0.3434 -0.0271 -0.0310 -0.0677 25 PRO C CA 3560 C C . PRO C 25 ? 0.3598 0.5540 0.3481 -0.0427 -0.0299 -0.0836 25 PRO C C 3561 O O . PRO C 25 ? 0.3643 0.5773 0.3536 -0.0473 -0.0351 -0.0822 25 PRO C O 3562 C CB . PRO C 25 ? 0.3387 0.5146 0.3442 -0.0320 -0.0361 -0.0739 25 PRO C CB 3563 C CG . PRO C 25 ? 0.3309 0.5058 0.3432 -0.0231 -0.0364 -0.0623 25 PRO C CG 3564 C CD . PRO C 25 ? 0.3239 0.4874 0.3430 -0.0143 -0.0319 -0.0507 25 PRO C CD 3565 N N . LEU C 26 ? 0.3727 0.5563 0.3375 -0.0475 -0.0258 -0.0914 26 LEU C N 3566 C CA . LEU C 26 ? 0.3834 0.5542 0.3325 -0.0429 -0.0191 -0.0905 26 LEU C CA 3567 C C . LEU C 26 ? 0.3868 0.5560 0.3167 -0.0563 -0.0232 -0.0860 26 LEU C C 3568 O O . LEU C 26 ? 0.3891 0.5497 0.3170 -0.0456 -0.0281 -0.0708 26 LEU C O 3569 C CB . LEU C 26 ? 0.3939 0.5596 0.3453 -0.0300 -0.0069 -0.0886 26 LEU C CB 3570 C CG . LEU C 26 ? 0.4090 0.5617 0.3607 -0.0212 0.0033 -0.0877 26 LEU C CG 3571 C CD1 . LEU C 26 ? 0.4104 0.5561 0.3660 -0.0149 0.0059 -0.0904 26 LEU C CD1 3572 C CD2 . LEU C 26 ? 0.4186 0.5664 0.3651 -0.0210 0.0083 -0.0845 26 LEU C CD2 3573 N N . GLU C 27 ? 0.3866 0.5576 0.3061 -0.0745 -0.0165 -0.0910 27 GLU C N 3574 C CA . GLU C 27 ? 0.3919 0.5582 0.2985 -0.0886 -0.0149 -0.1013 27 GLU C CA 3575 C C . GLU C 27 ? 0.3675 0.5163 0.2694 -0.0980 -0.0130 -0.1028 27 GLU C C 3576 O O . GLU C 27 ? 0.3654 0.5335 0.2797 -0.1035 -0.0017 -0.0817 27 GLU C O 3577 C CB . GLU C 27 ? 0.4255 0.6018 0.3250 -0.0894 -0.0067 -0.0978 27 GLU C CB 3578 C CG . GLU C 27 ? 0.4601 0.6449 0.3596 -0.0795 0.0047 -0.0848 27 GLU C CG 3579 C CD . GLU C 27 ? 0.4873 0.6791 0.3961 -0.0742 0.0189 -0.0650 27 GLU C CD 3580 O OE1 . GLU C 27 ? 0.4989 0.6967 0.4121 -0.0659 0.0227 -0.0598 27 GLU C OE1 3581 O OE2 . GLU C 27 ? 0.4995 0.6868 0.4099 -0.0750 0.0278 -0.0531 27 GLU C OE2 3582 N N . LYS C 28 ? 0.3514 0.4650 0.2283 -0.0926 -0.0131 -0.1266 28 LYS C N 3583 C CA . LYS C 28 ? 0.3501 0.4375 0.2063 -0.0736 -0.0114 -0.1199 28 LYS C CA 3584 C C . LYS C 28 ? 0.3184 0.3815 0.1583 -0.0426 -0.0092 -0.0826 28 LYS C C 3585 O O . LYS C 28 ? 0.3076 0.3653 0.1614 -0.0302 0.0040 -0.0746 28 LYS C O 3586 C CB . LYS C 28 ? 0.3831 0.4748 0.2388 -0.0775 -0.0027 -0.1368 28 LYS C CB 3587 C CG . LYS C 28 ? 0.4131 0.5122 0.2761 -0.0824 0.0031 -0.1408 28 LYS C CG 3588 C CD . LYS C 28 ? 0.4392 0.5393 0.3098 -0.0862 0.0081 -0.1320 28 LYS C CD 3589 C CE . LYS C 28 ? 0.4557 0.5683 0.3348 -0.0881 0.0101 -0.1205 28 LYS C CE 3590 N NZ . LYS C 28 ? 0.4629 0.5811 0.3462 -0.0902 0.0108 -0.1202 28 LYS C NZ 3591 N N . PRO C 29 ? 0.2933 0.3375 0.1116 -0.0247 -0.0243 -0.0576 29 PRO C N 3592 C CA . PRO C 29 ? 0.2674 0.2927 0.0971 -0.0270 -0.0270 -0.0489 29 PRO C CA 3593 C C . PRO C 29 ? 0.2429 0.2519 0.1194 -0.0284 -0.0181 -0.0419 29 PRO C C 3594 O O . PRO C 29 ? 0.2588 0.2804 0.1380 -0.0433 -0.0303 -0.0358 29 PRO C O 3595 C CB . PRO C 29 ? 0.2810 0.3006 0.0903 -0.0134 -0.0321 -0.0358 29 PRO C CB 3596 C CG . PRO C 29 ? 0.2967 0.3363 0.1025 -0.0089 -0.0336 -0.0286 29 PRO C CG 3597 C CD . PRO C 29 ? 0.2980 0.3458 0.1064 -0.0090 -0.0308 -0.0345 29 PRO C CD 3598 N N . LEU C 30 ? 0.1974 0.2118 0.1080 -0.0063 0.0004 -0.0483 30 LEU C N 3599 C CA . LEU C 30 ? 0.1982 0.2123 0.1310 0.0144 0.0064 -0.0475 30 LEU C CA 3600 C C . LEU C 30 ? 0.1951 0.1742 0.0882 0.0319 -0.0059 -0.0221 30 LEU C C 3601 O O . LEU C 30 ? 0.2084 0.1626 0.0854 0.0215 -0.0025 0.0033 30 LEU C O 3602 C CB . LEU C 30 ? 0.2304 0.2459 0.2046 0.0064 0.0115 -0.0644 30 LEU C CB 3603 C CG . LEU C 30 ? 0.2494 0.2457 0.2608 0.0150 0.0124 -0.0560 30 LEU C CG 3604 C CD1 . LEU C 30 ? 0.2405 0.2401 0.2742 0.0274 0.0084 -0.0434 30 LEU C CD1 3605 C CD2 . LEU C 30 ? 0.2621 0.2478 0.2866 0.0243 0.0113 -0.0577 30 LEU C CD2 3606 N N . GLN C 31 ? 0.1957 0.1571 0.0706 0.0417 -0.0205 -0.0020 31 GLN C N 3607 C CA . GLN C 31 ? 0.1912 0.1866 0.0844 0.0370 -0.0278 -0.0147 31 GLN C CA 3608 C C . GLN C 31 ? 0.1636 0.1561 0.0714 0.0342 -0.0174 -0.0250 31 GLN C C 3609 O O . GLN C 31 ? 0.1993 0.1647 0.0706 0.0440 0.0027 -0.0186 31 GLN C O 3610 C CB . GLN C 31 ? 0.2245 0.2616 0.1306 0.0355 -0.0411 0.0029 31 GLN C CB 3611 C CG . GLN C 31 ? 0.2752 0.3605 0.1863 0.0147 -0.0371 0.0021 31 GLN C CG 3612 C CD . GLN C 31 ? 0.3266 0.4380 0.2352 -0.0116 -0.0227 0.0036 31 GLN C CD 3613 O OE1 . GLN C 31 ? 0.3380 0.4684 0.2597 -0.0229 -0.0121 0.0035 31 GLN C OE1 3614 N NE2 . GLN C 31 ? 0.3552 0.4705 0.2541 -0.0135 -0.0207 0.0015 31 GLN C NE2 3615 N N . ASN C 32 ? 0.0985 0.1482 0.0647 0.0339 -0.0250 -0.0374 32 ASN C N 3616 C CA . ASN C 32 ? 0.0857 0.1195 0.0749 0.0045 -0.0235 -0.0456 32 ASN C CA 3617 C C . ASN C 32 ? 0.0844 0.1236 0.0623 0.0196 -0.0262 -0.0352 32 ASN C C 3618 O O . ASN C 32 ? 0.0952 0.1728 0.0760 0.0123 -0.0207 -0.0490 32 ASN C O 3619 C CB . ASN C 32 ? 0.1057 0.1370 0.1083 -0.0113 -0.0128 -0.0668 32 ASN C CB 3620 C CG . ASN C 32 ? 0.1222 0.1958 0.1858 0.0011 0.0129 -0.0850 32 ASN C CG 3621 O OD1 . ASN C 32 ? 0.1157 0.2224 0.1645 0.0093 0.0305 -0.0722 32 ASN C OD1 3622 N ND2 . ASN C 32 ? 0.1365 0.2861 0.2998 -0.0232 0.0111 -0.1116 32 ASN C ND2 3623 N N . PHE C 33 ? 0.0784 0.0936 0.0654 0.0378 -0.0171 -0.0238 33 PHE C N 3624 C CA . PHE C 33 ? 0.0728 0.0929 0.0590 0.0143 -0.0133 -0.0299 33 PHE C CA 3625 C C . PHE C 33 ? 0.0745 0.0679 0.0447 0.0091 0.0106 -0.0272 33 PHE C C 3626 O O . PHE C 33 ? 0.0818 0.0675 0.0476 0.0125 0.0134 -0.0240 33 PHE C O 3627 C CB . PHE C 33 ? 0.0985 0.1054 0.0638 0.0078 -0.0023 -0.0356 33 PHE C CB 3628 C CG . PHE C 33 ? 0.1027 0.0934 0.0573 -0.0033 -0.0024 -0.0260 33 PHE C CG 3629 C CD1 . PHE C 33 ? 0.1113 0.1093 0.0692 -0.0056 0.0033 -0.0128 33 PHE C CD1 3630 C CD2 . PHE C 33 ? 0.0972 0.0795 0.0646 -0.0173 0.0080 -0.0090 33 PHE C CD2 3631 C CE1 . PHE C 33 ? 0.1230 0.1218 0.0822 -0.0017 -0.0021 -0.0146 33 PHE C CE1 3632 C CE2 . PHE C 33 ? 0.1088 0.0860 0.0657 -0.0248 0.0178 -0.0101 33 PHE C CE2 3633 C CZ . PHE C 33 ? 0.1160 0.0973 0.0753 -0.0226 0.0109 -0.0225 33 PHE C CZ 3634 N N . THR C 34 ? 0.0782 0.0615 0.0450 0.0027 0.0130 -0.0193 34 THR C N 3635 C CA . THR C 34 ? 0.0814 0.0720 0.0426 -0.0033 0.0122 -0.0271 34 THR C CA 3636 C C . THR C 34 ? 0.0784 0.0579 0.0462 -0.0095 0.0058 -0.0274 34 THR C C 3637 O O . THR C 34 ? 0.0942 0.0857 0.0523 -0.0057 0.0069 -0.0356 34 THR C O 3638 C CB . THR C 34 ? 0.0890 0.0782 0.0473 0.0022 0.0179 -0.0136 34 THR C CB 3639 O OG1 . THR C 34 ? 0.1041 0.0843 0.0556 0.0008 0.0145 -0.0076 34 THR C OG1 3640 C CG2 . THR C 34 ? 0.0997 0.0844 0.0551 -0.0076 0.0156 0.0068 34 THR C CG2 3641 N N . LEU C 35 ? 0.0811 0.0680 0.0424 0.0083 0.0138 -0.0255 35 LEU C N 3642 C CA . LEU C 35 ? 0.0853 0.0666 0.0477 0.0140 0.0071 -0.0273 35 LEU C CA 3643 C C . LEU C 35 ? 0.0866 0.0484 0.0440 0.0119 0.0051 -0.0199 35 LEU C C 3644 O O . LEU C 35 ? 0.1093 0.0808 0.0455 0.0253 0.0082 -0.0194 35 LEU C O 3645 C CB . LEU C 35 ? 0.1105 0.0813 0.0478 0.0050 0.0120 -0.0201 35 LEU C CB 3646 C CG . LEU C 35 ? 0.1465 0.1029 0.0633 -0.0055 0.0199 -0.0096 35 LEU C CG 3647 C CD1 . LEU C 35 ? 0.1553 0.1117 0.0623 -0.0045 0.0278 -0.0092 35 LEU C CD1 3648 C CD2 . LEU C 35 ? 0.1708 0.1046 0.0697 -0.0170 0.0260 -0.0110 35 LEU C CD2 3649 N N A CYS C 36 ? 0.0776 0.0624 0.0391 0.0038 0.0075 -0.0261 36 CYS C N 3650 N N B CYS C 36 ? 0.0889 0.0594 0.0481 0.0071 0.0027 -0.0283 36 CYS C N 3651 C CA A CYS C 36 ? 0.0766 0.0825 0.0474 -0.0053 0.0025 -0.0256 36 CYS C CA 3652 C CA B CYS C 36 ? 0.0931 0.0794 0.0575 0.0046 -0.0026 -0.0294 36 CYS C CA 3653 C C A CYS C 36 ? 0.0662 0.0641 0.0359 0.0072 0.0129 -0.0207 36 CYS C C 3654 C C B CYS C 36 ? 0.0743 0.0695 0.0417 0.0094 0.0090 -0.0260 36 CYS C C 3655 O O A CYS C 36 ? 0.0705 0.0844 0.0322 0.0013 0.0154 -0.0143 36 CYS C O 3656 O O B CYS C 36 ? 0.0718 0.0708 0.0405 0.0132 0.0095 -0.0234 36 CYS C O 3657 C CB A CYS C 36 ? 0.1016 0.1154 0.0671 0.0119 0.0229 -0.0032 36 CYS C CB 3658 C CB B CYS C 36 ? 0.1180 0.0979 0.0820 0.0016 -0.0045 -0.0213 36 CYS C CB 3659 S SG A CYS C 36 ? 0.1274 0.1316 0.0900 -0.0130 0.0263 0.0001 36 CYS C SG 3660 S SG B CYS C 36 ? 0.1502 0.1077 0.1114 -0.0080 -0.0165 -0.0155 36 CYS C SG 3661 N N . PHE C 37 ? 0.0689 0.0736 0.0320 0.0028 0.0069 -0.0210 37 PHE C N 3662 C CA . PHE C 37 ? 0.0636 0.0772 0.0318 -0.0100 0.0064 -0.0202 37 PHE C CA 3663 C C . PHE C 37 ? 0.0636 0.0627 0.0332 -0.0009 -0.0009 -0.0233 37 PHE C C 3664 O O . PHE C 37 ? 0.0811 0.0787 0.0426 -0.0008 0.0049 -0.0294 37 PHE C O 3665 C CB . PHE C 37 ? 0.0901 0.0656 0.0435 -0.0186 0.0150 -0.0231 37 PHE C CB 3666 C CG . PHE C 37 ? 0.1006 0.0616 0.0541 -0.0149 0.0072 -0.0147 37 PHE C CG 3667 C CD1 . PHE C 37 ? 0.1099 0.0768 0.0861 -0.0010 0.0066 -0.0174 37 PHE C CD1 3668 C CD2 . PHE C 37 ? 0.1134 0.0656 0.0851 -0.0206 0.0103 -0.0279 37 PHE C CD2 3669 C CE1 . PHE C 37 ? 0.1171 0.0832 0.1125 -0.0013 0.0096 -0.0195 37 PHE C CE1 3670 C CE2 . PHE C 37 ? 0.1228 0.1028 0.1071 -0.0099 0.0101 -0.0382 37 PHE C CE2 3671 C CZ . PHE C 37 ? 0.1325 0.0798 0.1285 0.0016 0.0153 -0.0443 37 PHE C CZ 3672 N N . ARG C 38 ? 0.0459 0.0712 0.0429 -0.0114 -0.0030 -0.0239 38 ARG C N 3673 C CA . ARG C 38 ? 0.0599 0.0794 0.0517 -0.0067 -0.0035 -0.0235 38 ARG C CA 3674 C C . ARG C 38 ? 0.0581 0.0716 0.0385 -0.0209 0.0132 -0.0235 38 ARG C C 3675 O O . ARG C 38 ? 0.0915 0.0931 0.0469 -0.0413 0.0231 -0.0182 38 ARG C O 3676 C CB . ARG C 38 ? 0.1135 0.1189 0.1155 -0.0001 -0.0100 0.0023 38 ARG C CB 3677 C CG . ARG C 38 ? 0.1676 0.1246 0.1796 0.0394 0.0053 -0.0047 38 ARG C CG 3678 C CD . ARG C 38 ? 0.1899 0.1089 0.2044 0.0526 0.0174 -0.0084 38 ARG C CD 3679 N NE . ARG C 38 ? 0.2042 0.1511 0.2167 0.0376 0.0020 -0.0075 38 ARG C NE 3680 C CZ . ARG C 38 ? 0.2325 0.1550 0.2312 0.0359 0.0230 -0.0180 38 ARG C CZ 3681 N NH1 . ARG C 38 ? 0.2451 0.1215 0.2405 0.0701 0.0220 -0.0275 38 ARG C NH1 3682 N NH2 . ARG C 38 ? 0.2450 0.2135 0.2428 -0.0133 0.0365 -0.0356 38 ARG C NH2 3683 N N . ALA C 39 ? 0.0566 0.0775 0.0379 -0.0170 0.0081 -0.0129 39 ALA C N 3684 C CA . ALA C 39 ? 0.0477 0.0819 0.0396 -0.0173 0.0011 -0.0001 39 ALA C CA 3685 C C . ALA C 39 ? 0.0567 0.0761 0.0239 -0.0135 0.0046 -0.0078 39 ALA C C 3686 O O . ALA C 39 ? 0.0741 0.1010 0.0361 -0.0231 0.0145 0.0005 39 ALA C O 3687 C CB . ALA C 39 ? 0.0633 0.1143 0.0575 -0.0164 -0.0062 0.0239 39 ALA C CB 3688 N N . TYR C 40 ? 0.0618 0.0824 0.0261 -0.0112 -0.0076 -0.0065 40 TYR C N 3689 C CA . TYR C 40 ? 0.0740 0.0676 0.0247 -0.0068 -0.0025 -0.0122 40 TYR C CA 3690 C C . TYR C 40 ? 0.0826 0.0744 0.0322 -0.0099 0.0095 -0.0179 40 TYR C C 3691 O O . TYR C 40 ? 0.0907 0.0812 0.0282 -0.0098 0.0037 -0.0111 40 TYR C O 3692 C CB . TYR C 40 ? 0.0798 0.0588 0.0314 -0.0193 0.0044 -0.0096 40 TYR C CB 3693 C CG . TYR C 40 ? 0.0740 0.0595 0.0285 -0.0145 0.0018 -0.0144 40 TYR C CG 3694 C CD1 . TYR C 40 ? 0.0796 0.0786 0.0255 0.0074 -0.0026 -0.0013 40 TYR C CD1 3695 C CD2 . TYR C 40 ? 0.0722 0.0736 0.0400 -0.0042 0.0031 -0.0118 40 TYR C CD2 3696 C CE1 . TYR C 40 ? 0.0714 0.0871 0.0296 0.0121 0.0106 0.0117 40 TYR C CE1 3697 C CE2 . TYR C 40 ? 0.0751 0.0832 0.0604 0.0051 0.0004 0.0060 40 TYR C CE2 3698 C CZ . TYR C 40 ? 0.0664 0.0923 0.0392 0.0154 -0.0050 0.0102 40 TYR C CZ 3699 O OH . TYR C 40 ? 0.0708 0.1197 0.0598 0.0089 0.0063 0.0045 40 TYR C OH 3700 N N . SER C 41 ? 0.0893 0.0709 0.0505 -0.0070 0.0171 -0.0146 41 SER C N 3701 C CA . SER C 41 ? 0.0853 0.0695 0.0596 -0.0108 0.0172 -0.0072 41 SER C CA 3702 C C . SER C 41 ? 0.1116 0.0760 0.0593 -0.0278 0.0187 -0.0245 41 SER C C 3703 O O . SER C 41 ? 0.1501 0.1314 0.0702 -0.0680 0.0162 -0.0296 41 SER C O 3704 C CB . SER C 41 ? 0.0917 0.0731 0.0687 -0.0014 0.0173 -0.0004 41 SER C CB 3705 O OG . SER C 41 ? 0.1024 0.0899 0.0685 0.0019 -0.0011 -0.0151 41 SER C OG 3706 N N . ASP C 42 ? 0.0904 0.0716 0.0494 -0.0074 0.0044 -0.0319 42 ASP C N 3707 C CA . ASP C 42 ? 0.1191 0.0942 0.0504 0.0001 0.0115 -0.0119 42 ASP C CA 3708 C C . ASP C 42 ? 0.1214 0.0963 0.0577 0.0020 0.0017 -0.0183 42 ASP C C 3709 O O . ASP C 42 ? 0.1243 0.1116 0.0815 -0.0046 -0.0170 -0.0207 42 ASP C O 3710 C CB . ASP C 42 ? 0.1262 0.0929 0.0667 0.0134 0.0135 0.0095 42 ASP C CB 3711 C CG . ASP C 42 ? 0.1289 0.1080 0.0849 0.0087 0.0067 0.0058 42 ASP C CG 3712 O OD1 . ASP C 42 ? 0.1548 0.1385 0.1073 0.0068 0.0208 0.0098 42 ASP C OD1 3713 O OD2 . ASP C 42 ? 0.1167 0.1454 0.0873 0.0022 -0.0056 -0.0214 42 ASP C OD2 3714 N N . LEU C 43 ? 0.1210 0.0677 0.0605 -0.0029 -0.0065 -0.0082 43 LEU C N 3715 C CA . LEU C 43 ? 0.1427 0.0733 0.0703 0.0067 -0.0079 -0.0207 43 LEU C CA 3716 C C . LEU C 43 ? 0.1672 0.1012 0.0700 0.0147 -0.0085 -0.0137 43 LEU C C 3717 O O . LEU C 43 ? 0.1751 0.1408 0.0726 0.0200 -0.0029 -0.0162 43 LEU C O 3718 C CB . LEU C 43 ? 0.1434 0.0734 0.0730 -0.0008 -0.0023 -0.0267 43 LEU C CB 3719 C CG . LEU C 43 ? 0.1456 0.0862 0.0726 0.0118 0.0050 -0.0160 43 LEU C CG 3720 C CD1 . LEU C 43 ? 0.1353 0.0889 0.0677 0.0285 0.0069 -0.0150 43 LEU C CD1 3721 C CD2 . LEU C 43 ? 0.1610 0.0961 0.0786 -0.0028 0.0032 -0.0075 43 LEU C CD2 3722 N N . SER C 44 ? 0.1938 0.1245 0.0787 0.0222 -0.0073 -0.0365 44 SER C N 3723 C CA . SER C 44 ? 0.2173 0.1437 0.1022 0.0306 -0.0112 -0.0535 44 SER C CA 3724 C C . SER C 44 ? 0.1929 0.1506 0.1113 0.0169 0.0029 -0.0643 44 SER C C 3725 O O . SER C 44 ? 0.1941 0.1780 0.1191 0.0094 0.0228 -0.0610 44 SER C O 3726 C CB . SER C 44 ? 0.2540 0.1765 0.1194 0.0394 -0.0248 -0.0690 44 SER C CB 3727 O OG . SER C 44 ? 0.2989 0.2377 0.1396 0.0222 -0.0228 -0.0762 44 SER C OG 3728 N N . ARG C 45 ? 0.1566 0.1312 0.1005 -0.0016 -0.0149 -0.0649 45 ARG C N 3729 C CA . ARG C 45 ? 0.1528 0.1069 0.1047 -0.0043 0.0006 -0.0537 45 ARG C CA 3730 C C . ARG C 45 ? 0.1462 0.1279 0.1089 0.0058 0.0026 -0.0460 45 ARG C C 3731 O O . ARG C 45 ? 0.1366 0.1509 0.1255 0.0021 -0.0073 -0.0308 45 ARG C O 3732 C CB . ARG C 45 ? 0.1448 0.1047 0.1063 -0.0169 0.0037 -0.0591 45 ARG C CB 3733 C CG . ARG C 45 ? 0.1459 0.1316 0.1138 -0.0162 0.0040 -0.0501 45 ARG C CG 3734 C CD . ARG C 45 ? 0.1458 0.1137 0.1136 -0.0223 -0.0052 -0.0484 45 ARG C CD 3735 N NE . ARG C 45 ? 0.1549 0.0871 0.1090 -0.0298 -0.0009 -0.0470 45 ARG C NE 3736 C CZ . ARG C 45 ? 0.1481 0.0893 0.0879 -0.0248 0.0093 -0.0380 45 ARG C CZ 3737 N NH1 . ARG C 45 ? 0.1380 0.0902 0.0831 -0.0179 0.0173 -0.0385 45 ARG C NH1 3738 N NH2 . ARG C 45 ? 0.1486 0.0972 0.0713 -0.0183 0.0196 -0.0237 45 ARG C NH2 3739 N N . ALA C 46 ? 0.1518 0.1194 0.1112 0.0129 0.0049 -0.0443 46 ALA C N 3740 C CA . ALA C 46 ? 0.1604 0.1214 0.1150 0.0105 0.0124 -0.0497 46 ALA C CA 3741 C C . ALA C 46 ? 0.1553 0.1222 0.0968 -0.0087 0.0157 -0.0273 46 ALA C C 3742 O O . ALA C 46 ? 0.1703 0.1448 0.1011 -0.0151 -0.0079 -0.0074 46 ALA C O 3743 C CB . ALA C 46 ? 0.1781 0.1424 0.1340 0.0145 0.0210 -0.0539 46 ALA C CB 3744 N N . TYR C 47 ? 0.1442 0.0847 0.0836 -0.0006 0.0201 -0.0284 47 TYR C N 3745 C CA . TYR C 47 ? 0.1223 0.0730 0.0804 0.0094 0.0264 -0.0183 47 TYR C CA 3746 C C . TYR C 47 ? 0.1106 0.0834 0.0773 0.0069 0.0269 -0.0066 47 TYR C C 3747 O O . TYR C 47 ? 0.1168 0.0978 0.0801 0.0159 0.0344 -0.0053 47 TYR C O 3748 C CB . TYR C 47 ? 0.1222 0.1048 0.0829 0.0062 0.0274 -0.0266 47 TYR C CB 3749 C CG . TYR C 47 ? 0.1135 0.0849 0.0851 0.0087 0.0261 -0.0371 47 TYR C CG 3750 C CD1 . TYR C 47 ? 0.1182 0.0905 0.0954 0.0129 0.0303 -0.0327 47 TYR C CD1 3751 C CD2 . TYR C 47 ? 0.1230 0.0841 0.1003 -0.0039 0.0177 -0.0407 47 TYR C CD2 3752 C CE1 . TYR C 47 ? 0.1263 0.0888 0.1055 -0.0056 0.0196 -0.0338 47 TYR C CE1 3753 C CE2 . TYR C 47 ? 0.1324 0.1065 0.0983 0.0064 0.0183 -0.0300 47 TYR C CE2 3754 C CZ . TYR C 47 ? 0.1319 0.0907 0.0988 0.0009 0.0279 -0.0122 47 TYR C CZ 3755 O OH . TYR C 47 ? 0.1568 0.1077 0.1136 -0.0039 0.0108 0.0048 47 TYR C OH 3756 N N . SER C 48 ? 0.0975 0.0745 0.0690 -0.0076 0.0180 0.0016 48 SER C N 3757 C CA . SER C 48 ? 0.0988 0.0700 0.0776 0.0200 0.0103 0.0029 48 SER C CA 3758 C C . SER C 48 ? 0.0843 0.0631 0.0788 0.0127 0.0093 -0.0082 48 SER C C 3759 O O . SER C 48 ? 0.0831 0.0746 0.1134 -0.0033 0.0293 -0.0024 48 SER C O 3760 C CB . SER C 48 ? 0.1278 0.0847 0.0991 0.0131 0.0046 0.0224 48 SER C CB 3761 O OG . SER C 48 ? 0.1269 0.1088 0.1085 0.0218 0.0025 0.0337 48 SER C OG 3762 N N . LEU C 49 ? 0.0858 0.0635 0.0767 0.0003 0.0091 -0.0018 49 LEU C N 3763 C CA . LEU C 49 ? 0.0824 0.0532 0.0856 0.0055 -0.0008 0.0101 49 LEU C CA 3764 C C . LEU C 49 ? 0.0977 0.0402 0.0696 0.0258 0.0152 0.0090 49 LEU C C 3765 O O . LEU C 49 ? 0.1101 0.0843 0.0956 0.0192 0.0221 -0.0176 49 LEU C O 3766 C CB . LEU C 49 ? 0.1018 0.0911 0.1105 0.0064 -0.0214 0.0283 49 LEU C CB 3767 C CG . LEU C 49 ? 0.1266 0.1269 0.1286 -0.0146 -0.0130 0.0145 49 LEU C CG 3768 C CD1 . LEU C 49 ? 0.1517 0.1641 0.1343 -0.0096 0.0000 0.0401 49 LEU C CD1 3769 C CD2 . LEU C 49 ? 0.1309 0.1139 0.1381 -0.0015 -0.0370 0.0295 49 LEU C CD2 3770 N N . PHE C 50 ? 0.1095 0.0552 0.0562 0.0199 0.0159 0.0097 50 PHE C N 3771 C CA . PHE C 50 ? 0.0972 0.0304 0.0406 0.0151 0.0098 0.0002 50 PHE C CA 3772 C C . PHE C 50 ? 0.0967 0.0390 0.0362 0.0230 0.0054 -0.0037 50 PHE C C 3773 O O . PHE C 50 ? 0.1193 0.0591 0.0500 0.0226 0.0116 -0.0143 50 PHE C O 3774 C CB . PHE C 50 ? 0.1065 0.0456 0.0449 0.0098 0.0119 -0.0017 50 PHE C CB 3775 C CG . PHE C 50 ? 0.1012 0.0687 0.0424 0.0105 0.0137 -0.0046 50 PHE C CG 3776 C CD1 . PHE C 50 ? 0.1121 0.0906 0.0386 0.0102 0.0022 -0.0013 50 PHE C CD1 3777 C CD2 . PHE C 50 ? 0.1066 0.0724 0.0445 -0.0104 0.0255 -0.0126 50 PHE C CD2 3778 C CE1 . PHE C 50 ? 0.1146 0.1114 0.0340 0.0159 0.0048 -0.0001 50 PHE C CE1 3779 C CE2 . PHE C 50 ? 0.1152 0.0824 0.0531 -0.0092 0.0223 -0.0218 50 PHE C CE2 3780 C CZ . PHE C 50 ? 0.1180 0.1091 0.0419 -0.0115 0.0191 -0.0026 50 PHE C CZ 3781 N N . SER C 51 ? 0.0943 0.0435 0.0412 0.0214 0.0044 -0.0102 51 SER C N 3782 C CA . SER C 51 ? 0.0864 0.0548 0.0407 0.0380 0.0051 0.0024 51 SER C CA 3783 C C . SER C 51 ? 0.1101 0.0676 0.0374 0.0273 0.0102 -0.0060 51 SER C C 3784 O O . SER C 51 ? 0.1213 0.0768 0.0463 0.0365 0.0133 -0.0064 51 SER C O 3785 C CB . SER C 51 ? 0.0917 0.0656 0.0558 0.0432 0.0103 0.0112 51 SER C CB 3786 O OG . SER C 51 ? 0.0941 0.0807 0.0564 0.0207 0.0027 0.0025 51 SER C OG 3787 N N . TYR C 52 ? 0.1100 0.0994 0.0385 0.0130 0.0137 -0.0159 52 TYR C N 3788 C CA . TYR C 52 ? 0.1150 0.0959 0.0352 0.0107 0.0153 -0.0042 52 TYR C CA 3789 C C . TYR C 52 ? 0.1175 0.0831 0.0465 0.0215 0.0255 -0.0065 52 TYR C C 3790 O O . TYR C 52 ? 0.1323 0.0800 0.0549 0.0205 0.0163 -0.0062 52 TYR C O 3791 C CB . TYR C 52 ? 0.1280 0.0799 0.0447 0.0069 0.0148 -0.0178 52 TYR C CB 3792 C CG . TYR C 52 ? 0.1219 0.1054 0.0444 0.0052 0.0220 -0.0187 52 TYR C CG 3793 C CD1 . TYR C 52 ? 0.1206 0.1190 0.0389 0.0029 0.0131 -0.0201 52 TYR C CD1 3794 C CD2 . TYR C 52 ? 0.1341 0.1256 0.0470 0.0003 0.0098 -0.0300 52 TYR C CD2 3795 C CE1 . TYR C 52 ? 0.1323 0.1384 0.0550 -0.0052 0.0157 -0.0187 52 TYR C CE1 3796 C CE2 . TYR C 52 ? 0.1475 0.1279 0.0617 -0.0118 -0.0021 -0.0255 52 TYR C CE2 3797 C CZ . TYR C 52 ? 0.1369 0.1499 0.0641 -0.0029 0.0012 -0.0365 52 TYR C CZ 3798 O OH . TYR C 52 ? 0.1517 0.1760 0.0937 -0.0218 -0.0065 -0.0315 52 TYR C OH 3799 N N . ASN C 53 ? 0.1118 0.0791 0.0492 0.0332 0.0159 -0.0115 53 ASN C N 3800 C CA . ASN C 53 ? 0.1222 0.0801 0.0610 0.0504 0.0145 0.0066 53 ASN C CA 3801 C C . ASN C 53 ? 0.1496 0.0853 0.0567 0.0484 0.0115 -0.0061 53 ASN C C 3802 O O . ASN C 53 ? 0.1653 0.1032 0.0559 0.0390 0.0028 0.0026 53 ASN C O 3803 C CB . ASN C 53 ? 0.1386 0.0888 0.0665 0.0300 0.0128 0.0035 53 ASN C CB 3804 C CG . ASN C 53 ? 0.1498 0.0963 0.0698 0.0184 0.0292 0.0050 53 ASN C CG 3805 O OD1 . ASN C 53 ? 0.1728 0.1069 0.0620 0.0269 0.0357 -0.0039 53 ASN C OD1 3806 N ND2 . ASN C 53 ? 0.1480 0.0890 0.0828 0.0225 0.0113 0.0150 53 ASN C ND2 3807 N N . THR C 54 ? 0.1576 0.1158 0.0612 0.0705 -0.0161 -0.0126 54 THR C N 3808 C CA . THR C 54 ? 0.1678 0.1474 0.0830 0.0755 -0.0158 -0.0046 54 THR C CA 3809 C C . THR C 54 ? 0.1987 0.1719 0.0972 0.0774 -0.0185 0.0160 54 THR C C 3810 O O . THR C 54 ? 0.2051 0.1606 0.1019 0.0728 -0.0167 0.0236 54 THR C O 3811 C CB . THR C 54 ? 0.1575 0.1698 0.1100 0.0679 -0.0026 -0.0267 54 THR C CB 3812 O OG1 . THR C 54 ? 0.1751 0.1867 0.1397 0.0678 -0.0011 -0.0337 54 THR C OG1 3813 C CG2 . THR C 54 ? 0.1472 0.1590 0.1207 0.0524 0.0063 -0.0362 54 THR C CG2 3814 N N . GLN C 55 ? 0.2151 0.1831 0.1044 0.0721 -0.0320 0.0305 55 GLN C N 3815 C CA . GLN C 55 ? 0.2521 0.1967 0.1301 0.0685 -0.0212 0.0434 55 GLN C CA 3816 C C . GLN C 55 ? 0.2314 0.1814 0.1434 0.0816 -0.0215 0.0538 55 GLN C C 3817 O O . GLN C 55 ? 0.2395 0.1995 0.1629 0.0838 -0.0240 0.0564 55 GLN C O 3818 C CB . GLN C 55 ? 0.2971 0.2354 0.1443 0.0575 -0.0169 0.0619 55 GLN C CB 3819 C CG . GLN C 55 ? 0.3409 0.2898 0.1807 0.0522 0.0009 0.0739 55 GLN C CG 3820 C CD . GLN C 55 ? 0.3813 0.3372 0.2235 0.0429 0.0098 0.0879 55 GLN C CD 3821 O OE1 . GLN C 55 ? 0.4060 0.3734 0.2515 0.0245 0.0170 0.0691 55 GLN C OE1 3822 N NE2 . GLN C 55 ? 0.3801 0.3480 0.2307 0.0588 0.0057 0.1196 55 GLN C NE2 3823 N N . GLY C 56 ? 0.2240 0.1725 0.1394 0.0800 -0.0107 0.0554 56 GLY C N 3824 C CA . GLY C 56 ? 0.2410 0.1716 0.1316 0.0833 0.0089 0.0542 56 GLY C CA 3825 C C . GLY C 56 ? 0.2393 0.1605 0.1348 0.0757 0.0129 0.0527 56 GLY C C 3826 O O . GLY C 56 ? 0.2593 0.1853 0.1553 0.0678 0.0079 0.0286 56 GLY C O 3827 N N . ARG C 57 ? 0.2187 0.1302 0.1220 0.0754 0.0070 0.0338 57 ARG C N 3828 C CA . ARG C 57 ? 0.1875 0.1180 0.1189 0.0663 0.0024 0.0126 57 ARG C CA 3829 C C . ARG C 57 ? 0.1796 0.0965 0.1249 0.0635 0.0033 0.0057 57 ARG C C 3830 O O . ARG C 57 ? 0.1987 0.0878 0.1352 0.0616 -0.0186 -0.0173 57 ARG C O 3831 C CB . ARG C 57 ? 0.1787 0.1303 0.1181 0.0595 -0.0097 0.0285 57 ARG C CB 3832 C CG . ARG C 57 ? 0.1683 0.1535 0.1353 0.0487 -0.0155 0.0279 57 ARG C CG 3833 C CD . ARG C 57 ? 0.1631 0.1599 0.1447 0.0317 -0.0048 0.0389 57 ARG C CD 3834 N NE . ARG C 57 ? 0.1646 0.1504 0.1579 0.0222 0.0037 0.0262 57 ARG C NE 3835 C CZ . ARG C 57 ? 0.1693 0.1578 0.1740 0.0374 0.0159 0.0386 57 ARG C CZ 3836 N NH1 . ARG C 57 ? 0.1663 0.1820 0.1863 0.0482 0.0182 0.0563 57 ARG C NH1 3837 N NH2 . ARG C 57 ? 0.1771 0.1497 0.1792 0.0387 0.0332 0.0285 57 ARG C NH2 3838 N N . ASP C 58 ? 0.1491 0.0975 0.1093 0.0484 0.0184 0.0061 58 ASP C N 3839 C CA . ASP C 58 ? 0.1438 0.0885 0.0885 0.0348 0.0158 -0.0057 58 ASP C CA 3840 C C . ASP C 58 ? 0.1338 0.0853 0.0796 0.0246 0.0203 0.0017 58 ASP C C 3841 O O . ASP C 58 ? 0.1323 0.1107 0.0980 0.0318 0.0283 -0.0023 58 ASP C O 3842 C CB . ASP C 58 ? 0.1758 0.0946 0.1111 0.0329 0.0153 -0.0106 58 ASP C CB 3843 C CG . ASP C 58 ? 0.2017 0.1018 0.1135 0.0289 0.0185 -0.0082 58 ASP C CG 3844 O OD1 . ASP C 58 ? 0.1807 0.0940 0.1184 0.0360 0.0201 0.0179 58 ASP C OD1 3845 O OD2 . ASP C 58 ? 0.2291 0.1270 0.1066 0.0216 0.0196 -0.0064 58 ASP C OD2 3846 N N . ASN C 59 ? 0.1322 0.0853 0.0660 0.0377 0.0153 0.0171 59 ASN C N 3847 C CA . ASN C 59 ? 0.1298 0.1073 0.0735 0.0241 0.0273 0.0070 59 ASN C CA 3848 C C . ASN C 59 ? 0.1251 0.1145 0.0734 0.0331 0.0316 0.0168 59 ASN C C 3849 O O . ASN C 59 ? 0.1377 0.1201 0.0856 0.0291 0.0362 0.0102 59 ASN C O 3850 C CB . ASN C 59 ? 0.1302 0.1122 0.0927 0.0212 0.0117 -0.0210 59 ASN C CB 3851 C CG . ASN C 59 ? 0.1375 0.0982 0.0759 0.0196 0.0166 -0.0083 59 ASN C CG 3852 O OD1 . ASN C 59 ? 0.1317 0.1134 0.0787 0.0164 0.0072 -0.0124 59 ASN C OD1 3853 N ND2 . ASN C 59 ? 0.1604 0.1100 0.0896 0.0137 0.0340 0.0025 59 ASN C ND2 3854 N N . GLU C 60 ? 0.1111 0.1181 0.0621 0.0263 0.0168 0.0158 60 GLU C N 3855 C CA . GLU C 60 ? 0.1115 0.1249 0.0568 0.0234 0.0127 0.0062 60 GLU C CA 3856 C C . GLU C 60 ? 0.1013 0.0920 0.0406 0.0208 0.0137 -0.0156 60 GLU C C 3857 O O . GLU C 60 ? 0.1076 0.1006 0.0438 0.0180 0.0150 -0.0191 60 GLU C O 3858 C CB . GLU C 60 ? 0.1243 0.1271 0.0584 0.0273 0.0055 0.0045 60 GLU C CB 3859 C CG . GLU C 60 ? 0.1376 0.1245 0.0628 0.0226 -0.0039 -0.0105 60 GLU C CG 3860 C CD . GLU C 60 ? 0.1365 0.1298 0.0766 0.0302 -0.0105 0.0088 60 GLU C CD 3861 O OE1 . GLU C 60 ? 0.1505 0.1418 0.0742 0.0372 -0.0076 0.0133 60 GLU C OE1 3862 O OE2 . GLU C 60 ? 0.1371 0.1407 0.0836 0.0280 -0.0049 0.0125 60 GLU C OE2 3863 N N . LEU C 61 ? 0.1071 0.0937 0.0355 0.0150 0.0166 -0.0034 61 LEU C N 3864 C CA . LEU C 61 ? 0.1148 0.0970 0.0331 0.0097 0.0112 -0.0016 61 LEU C CA 3865 C C . LEU C 61 ? 0.1099 0.0913 0.0388 0.0157 0.0145 -0.0137 61 LEU C C 3866 O O . LEU C 61 ? 0.1242 0.1321 0.0470 0.0110 0.0223 -0.0189 61 LEU C O 3867 C CB . LEU C 61 ? 0.1417 0.1221 0.0644 -0.0088 0.0176 -0.0148 61 LEU C CB 3868 C CG . LEU C 61 ? 0.1656 0.1367 0.0945 -0.0327 -0.0033 -0.0318 61 LEU C CG 3869 C CD1 . LEU C 61 ? 0.1865 0.1047 0.0976 -0.0238 -0.0062 -0.0452 61 LEU C CD1 3870 C CD2 . LEU C 61 ? 0.1757 0.1571 0.1324 -0.0516 -0.0027 -0.0340 61 LEU C CD2 3871 N N . LEU C 62 ? 0.0988 0.0788 0.0386 0.0201 0.0143 -0.0124 62 LEU C N 3872 C CA . LEU C 62 ? 0.0933 0.0753 0.0394 0.0209 0.0192 -0.0077 62 LEU C CA 3873 C C . LEU C 62 ? 0.0718 0.0585 0.0319 0.0106 0.0060 -0.0178 62 LEU C C 3874 O O . LEU C 62 ? 0.0844 0.0868 0.0401 0.0335 0.0109 -0.0046 62 LEU C O 3875 C CB . LEU C 62 ? 0.1066 0.0913 0.0435 0.0164 0.0227 -0.0071 62 LEU C CB 3876 C CG . LEU C 62 ? 0.1224 0.0715 0.0472 0.0183 0.0215 0.0025 62 LEU C CG 3877 C CD1 . LEU C 62 ? 0.1232 0.0943 0.0653 0.0221 0.0172 0.0141 62 LEU C CD1 3878 C CD2 . LEU C 62 ? 0.1307 0.0519 0.0708 0.0251 0.0175 -0.0055 62 LEU C CD2 3879 N N . VAL C 63 ? 0.0726 0.0563 0.0289 0.0240 0.0108 -0.0015 63 VAL C N 3880 C CA . VAL C 63 ? 0.0902 0.0649 0.0332 0.0310 0.0138 0.0085 63 VAL C CA 3881 C C . VAL C 63 ? 0.0894 0.0528 0.0352 0.0205 0.0183 -0.0013 63 VAL C C 3882 O O . VAL C 63 ? 0.0920 0.0683 0.0398 0.0176 0.0130 -0.0160 63 VAL C O 3883 C CB . VAL C 63 ? 0.1168 0.0828 0.0464 0.0286 0.0219 -0.0016 63 VAL C CB 3884 C CG1 . VAL C 63 ? 0.1240 0.0792 0.0626 0.0446 0.0315 0.0068 63 VAL C CG1 3885 C CG2 . VAL C 63 ? 0.1392 0.0797 0.0812 0.0270 0.0309 -0.0015 63 VAL C CG2 3886 N N . TYR C 64 ? 0.0993 0.0539 0.0473 0.0107 0.0179 -0.0079 64 TYR C N 3887 C CA . TYR C 64 ? 0.1013 0.0713 0.0417 0.0083 0.0160 -0.0191 64 TYR C CA 3888 C C . TYR C 64 ? 0.0964 0.1048 0.0400 0.0012 0.0133 -0.0147 64 TYR C C 3889 O O . TYR C 64 ? 0.1049 0.1358 0.0429 0.0014 0.0196 -0.0122 64 TYR C O 3890 C CB . TYR C 64 ? 0.1293 0.0785 0.0644 0.0111 0.0167 -0.0143 64 TYR C CB 3891 C CG . TYR C 64 ? 0.1383 0.0785 0.0806 0.0314 0.0079 -0.0049 64 TYR C CG 3892 C CD1 . TYR C 64 ? 0.1458 0.0788 0.1134 0.0308 0.0168 0.0223 64 TYR C CD1 3893 C CD2 . TYR C 64 ? 0.1600 0.0734 0.1001 0.0295 0.0000 -0.0216 64 TYR C CD2 3894 C CE1 . TYR C 64 ? 0.1625 0.0770 0.1293 0.0209 0.0112 0.0451 64 TYR C CE1 3895 C CE2 . TYR C 64 ? 0.1745 0.1014 0.1134 -0.0046 -0.0038 -0.0064 64 TYR C CE2 3896 C CZ . TYR C 64 ? 0.1786 0.0900 0.1400 -0.0139 -0.0052 0.0379 64 TYR C CZ 3897 O OH . TYR C 64 ? 0.2031 0.1156 0.1777 -0.0306 -0.0227 0.0351 64 TYR C OH 3898 N N . LYS C 65 ? 0.1021 0.1514 0.0532 0.0054 0.0155 -0.0126 65 LYS C N 3899 C CA . LYS C 65 ? 0.1077 0.1449 0.0694 0.0119 0.0037 -0.0176 65 LYS C CA 3900 C C . LYS C 65 ? 0.1287 0.1552 0.0887 0.0293 -0.0111 -0.0233 65 LYS C C 3901 O O . LYS C 65 ? 0.1791 0.1372 0.0848 0.0191 0.0089 -0.0043 65 LYS C O 3902 C CB . LYS C 65 ? 0.1551 0.1432 0.0850 -0.0156 -0.0083 -0.0260 65 LYS C CB 3903 C CG . LYS C 65 ? 0.1788 0.1649 0.1033 -0.0246 -0.0118 -0.0276 65 LYS C CG 3904 C CD . LYS C 65 ? 0.2052 0.2021 0.1213 -0.0162 -0.0034 -0.0193 65 LYS C CD 3905 C CE . LYS C 65 ? 0.2203 0.2044 0.1132 -0.0142 0.0068 -0.0341 65 LYS C CE 3906 N NZ . LYS C 65 ? 0.2333 0.2372 0.1093 -0.0067 0.0195 -0.0391 65 LYS C NZ 3907 N N . GLU C 66 ? 0.1471 0.2019 0.1353 0.0186 -0.0240 -0.0564 66 GLU C N 3908 C CA . GLU C 66 ? 0.1983 0.2333 0.1836 0.0386 -0.0310 -0.0793 66 GLU C CA 3909 C C . GLU C 66 ? 0.1913 0.1906 0.1529 0.0079 -0.0349 -0.0740 66 GLU C C 3910 O O . GLU C 66 ? 0.2203 0.1789 0.1547 -0.0026 -0.0544 -0.0580 66 GLU C O 3911 C CB . GLU C 66 ? 0.2518 0.3147 0.2604 0.0432 -0.0337 -0.0961 66 GLU C CB 3912 C CG . GLU C 66 ? 0.3076 0.3616 0.3281 0.0320 -0.0218 -0.0928 66 GLU C CG 3913 C CD . GLU C 66 ? 0.3388 0.4049 0.3932 0.0363 -0.0132 -0.0909 66 GLU C CD 3914 O OE1 . GLU C 66 ? 0.3386 0.4039 0.4138 0.0343 -0.0063 -0.1186 66 GLU C OE1 3915 O OE2 . GLU C 66 ? 0.3541 0.4289 0.4219 0.0403 -0.0036 -0.0840 66 GLU C OE2 3916 N N . ARG C 67 ? 0.1658 0.1633 0.1137 0.0010 -0.0015 -0.0781 67 ARG C N 3917 C CA . ARG C 67 ? 0.1626 0.1535 0.1058 -0.0050 0.0080 -0.0687 67 ARG C CA 3918 C C . ARG C 67 ? 0.1239 0.1508 0.1023 -0.0151 -0.0004 -0.0613 67 ARG C C 3919 O O . ARG C 67 ? 0.1159 0.1441 0.1000 -0.0298 0.0056 -0.0644 67 ARG C O 3920 C CB . ARG C 67 ? 0.1891 0.1587 0.1178 -0.0065 0.0169 -0.0772 67 ARG C CB 3921 C CG . ARG C 67 ? 0.2218 0.1786 0.1345 -0.0075 0.0283 -0.0853 67 ARG C CG 3922 C CD . ARG C 67 ? 0.2762 0.1998 0.1527 -0.0007 0.0429 -0.0903 67 ARG C CD 3923 N NE . ARG C 67 ? 0.3322 0.2159 0.1881 -0.0148 0.0517 -0.0901 67 ARG C NE 3924 C CZ . ARG C 67 ? 0.3695 0.2549 0.2331 -0.0327 0.0516 -0.0550 67 ARG C CZ 3925 N NH1 . ARG C 67 ? 0.3769 0.2664 0.2405 -0.0270 0.0418 -0.0511 67 ARG C NH1 3926 N NH2 . ARG C 67 ? 0.3911 0.2711 0.2573 -0.0436 0.0544 -0.0317 67 ARG C NH2 3927 N N . VAL C 68 ? 0.1243 0.1928 0.1096 -0.0206 -0.0050 -0.0519 68 VAL C N 3928 C CA . VAL C 68 ? 0.1072 0.2001 0.1319 -0.0295 0.0005 -0.0382 68 VAL C CA 3929 C C . VAL C 68 ? 0.0987 0.1863 0.1152 0.0015 0.0134 -0.0176 68 VAL C C 3930 O O . VAL C 68 ? 0.1241 0.2140 0.1309 -0.0069 -0.0013 -0.0067 68 VAL C O 3931 C CB . VAL C 68 ? 0.1319 0.2522 0.1741 -0.0163 -0.0106 -0.0337 68 VAL C CB 3932 C CG1 . VAL C 68 ? 0.1383 0.2730 0.1889 -0.0108 -0.0227 -0.0325 68 VAL C CG1 3933 C CG2 . VAL C 68 ? 0.1299 0.2692 0.2054 0.0068 -0.0287 -0.0372 68 VAL C CG2 3934 N N . GLY C 69 ? 0.0861 0.1595 0.1110 0.0096 0.0223 0.0114 69 GLY C N 3935 C CA . GLY C 69 ? 0.0878 0.1489 0.1201 0.0286 0.0167 0.0339 69 GLY C CA 3936 C C . GLY C 69 ? 0.0917 0.1425 0.1060 0.0279 0.0080 0.0293 69 GLY C C 3937 O O . GLY C 69 ? 0.1115 0.1594 0.1275 0.0140 0.0257 0.0592 69 GLY C O 3938 N N . GLU C 70 ? 0.0926 0.1238 0.0790 0.0187 -0.0076 -0.0149 70 GLU C N 3939 C CA . GLU C 70 ? 0.1069 0.1255 0.0706 0.0123 -0.0062 -0.0265 70 GLU C CA 3940 C C . GLU C 70 ? 0.0946 0.1198 0.0608 -0.0071 -0.0008 -0.0190 70 GLU C C 3941 O O . GLU C 70 ? 0.1076 0.1854 0.0774 -0.0371 0.0099 -0.0200 70 GLU C O 3942 C CB . GLU C 70 ? 0.1551 0.1451 0.0796 0.0235 -0.0228 -0.0511 70 GLU C CB 3943 C CG . GLU C 70 ? 0.2225 0.1861 0.1088 0.0094 -0.0314 -0.0703 70 GLU C CG 3944 C CD . GLU C 70 ? 0.2912 0.2362 0.1495 0.0269 -0.0160 -0.0802 70 GLU C CD 3945 O OE1 . GLU C 70 ? 0.3058 0.2179 0.1783 0.0193 -0.0103 -0.0802 70 GLU C OE1 3946 O OE2 . GLU C 70 ? 0.3302 0.2948 0.1640 0.0457 -0.0028 -0.0777 70 GLU C OE2 3947 N N . TYR C 71 ? 0.0786 0.0743 0.0362 0.0040 0.0042 -0.0114 71 TYR C N 3948 C CA . TYR C 71 ? 0.0782 0.0592 0.0396 0.0149 0.0023 -0.0219 71 TYR C CA 3949 C C . TYR C 71 ? 0.0748 0.0684 0.0333 0.0207 0.0068 -0.0137 71 TYR C C 3950 O O . TYR C 71 ? 0.0784 0.1098 0.0497 0.0347 0.0205 0.0006 71 TYR C O 3951 C CB . TYR C 71 ? 0.1041 0.0705 0.0735 0.0184 -0.0129 -0.0379 71 TYR C CB 3952 C CG . TYR C 71 ? 0.1181 0.0830 0.1016 0.0112 -0.0038 -0.0282 71 TYR C CG 3953 C CD1 . TYR C 71 ? 0.1236 0.0706 0.1213 0.0099 -0.0060 -0.0061 71 TYR C CD1 3954 C CD2 . TYR C 71 ? 0.1349 0.1036 0.1097 0.0403 0.0063 -0.0349 71 TYR C CD2 3955 C CE1 . TYR C 71 ? 0.1251 0.0860 0.1258 0.0123 -0.0031 0.0060 71 TYR C CE1 3956 C CE2 . TYR C 71 ? 0.1491 0.1163 0.1253 0.0587 0.0060 -0.0110 71 TYR C CE2 3957 C CZ . TYR C 71 ? 0.1380 0.1086 0.1298 0.0523 0.0065 0.0042 71 TYR C CZ 3958 O OH . TYR C 71 ? 0.1520 0.1255 0.1454 0.0660 0.0065 0.0134 71 TYR C OH 3959 N N . SER C 72 ? 0.0868 0.0728 0.0256 0.0084 -0.0087 0.0009 72 SER C N 3960 C CA . SER C 72 ? 0.1077 0.0726 0.0390 0.0071 -0.0037 0.0018 72 SER C CA 3961 C C . SER C 72 ? 0.0902 0.0790 0.0397 0.0243 0.0014 -0.0117 72 SER C C 3962 O O . SER C 72 ? 0.0873 0.0778 0.0512 0.0323 0.0052 -0.0099 72 SER C O 3963 C CB . SER C 72 ? 0.1501 0.0827 0.0519 -0.0033 -0.0094 -0.0156 72 SER C CB 3964 O OG . SER C 72 ? 0.1739 0.0974 0.0582 -0.0169 0.0001 -0.0142 72 SER C OG 3965 N N . LEU C 73 ? 0.0754 0.0674 0.0303 0.0277 0.0021 -0.0087 73 LEU C N 3966 C CA . LEU C 73 ? 0.0779 0.0512 0.0287 0.0177 0.0047 -0.0093 73 LEU C CA 3967 C C . LEU C 73 ? 0.0881 0.0488 0.0353 0.0256 0.0175 0.0023 73 LEU C C 3968 O O . LEU C 73 ? 0.1018 0.0838 0.0435 0.0299 0.0183 -0.0070 73 LEU C O 3969 C CB . LEU C 73 ? 0.0777 0.0561 0.0304 0.0126 0.0020 -0.0122 73 LEU C CB 3970 C CG . LEU C 73 ? 0.0987 0.0655 0.0460 0.0136 0.0000 -0.0061 73 LEU C CG 3971 C CD1 . LEU C 73 ? 0.1136 0.1104 0.0508 0.0044 0.0097 -0.0213 73 LEU C CD1 3972 C CD2 . LEU C 73 ? 0.1028 0.0774 0.0741 0.0104 -0.0003 0.0134 73 LEU C CD2 3973 N N . TYR C 74 ? 0.0933 0.0596 0.0358 0.0263 0.0193 0.0093 74 TYR C N 3974 C CA . TYR C 74 ? 0.1016 0.0736 0.0381 0.0307 0.0120 -0.0046 74 TYR C CA 3975 C C . TYR C 74 ? 0.1038 0.0813 0.0379 0.0266 -0.0042 -0.0162 74 TYR C C 3976 O O . TYR C 74 ? 0.1102 0.0947 0.0448 0.0371 -0.0007 -0.0028 74 TYR C O 3977 C CB . TYR C 74 ? 0.1125 0.0902 0.0621 0.0359 0.0235 0.0167 74 TYR C CB 3978 C CG . TYR C 74 ? 0.1318 0.0543 0.0979 0.0187 0.0296 -0.0143 74 TYR C CG 3979 C CD1 . TYR C 74 ? 0.1206 0.0693 0.0906 0.0085 0.0348 -0.0014 74 TYR C CD1 3980 C CD2 . TYR C 74 ? 0.1624 0.0836 0.1430 -0.0036 0.0062 -0.0143 74 TYR C CD2 3981 C CE1 . TYR C 74 ? 0.1344 0.0978 0.1222 0.0020 0.0274 -0.0218 74 TYR C CE1 3982 C CE2 . TYR C 74 ? 0.1660 0.1019 0.1733 -0.0161 -0.0011 -0.0382 74 TYR C CE2 3983 C CZ . TYR C 74 ? 0.1571 0.1356 0.1693 -0.0267 0.0079 -0.0487 74 TYR C CZ 3984 O OH . TYR C 74 ? 0.1845 0.2096 0.1930 -0.0399 0.0156 -0.0799 74 TYR C OH 3985 N N . ILE C 75 ? 0.1133 0.0793 0.0470 0.0177 -0.0146 -0.0193 75 ILE C N 3986 C CA . ILE C 75 ? 0.1049 0.0805 0.0477 0.0400 -0.0046 -0.0086 75 ILE C CA 3987 C C . ILE C 75 ? 0.1087 0.0882 0.0669 0.0462 0.0119 0.0026 75 ILE C C 3988 O O . ILE C 75 ? 0.0985 0.0811 0.0701 0.0292 0.0260 -0.0087 75 ILE C O 3989 C CB . ILE C 75 ? 0.1175 0.0706 0.0539 0.0148 -0.0154 -0.0046 75 ILE C CB 3990 C CG1 . ILE C 75 ? 0.1308 0.0883 0.0583 0.0181 -0.0180 -0.0051 75 ILE C CG1 3991 C CG2 . ILE C 75 ? 0.1354 0.1036 0.0643 0.0092 -0.0130 -0.0034 75 ILE C CG2 3992 C CD1 . ILE C 75 ? 0.1600 0.1068 0.0894 0.0090 -0.0255 -0.0101 75 ILE C CD1 3993 N N . GLY C 76 ? 0.1318 0.1031 0.0675 0.0643 0.0143 0.0140 76 GLY C N 3994 C CA . GLY C 76 ? 0.1393 0.0875 0.0669 0.0564 0.0150 0.0201 76 GLY C CA 3995 C C . GLY C 76 ? 0.1702 0.0959 0.0700 0.0489 0.0352 0.0157 76 GLY C C 3996 O O . GLY C 76 ? 0.1966 0.1076 0.0739 0.0250 0.0351 0.0169 76 GLY C O 3997 N N . ARG C 77 ? 0.1730 0.0916 0.0788 0.0373 0.0364 0.0169 77 ARG C N 3998 C CA . ARG C 77 ? 0.1789 0.0742 0.0699 0.0202 0.0334 0.0208 77 ARG C CA 3999 C C . ARG C 77 ? 0.1577 0.0695 0.0642 0.0073 0.0260 0.0178 77 ARG C C 4000 O O . ARG C 77 ? 0.1554 0.1083 0.0873 0.0012 0.0297 0.0007 77 ARG C O 4001 C CB . ARG C 77 ? 0.2215 0.1207 0.0889 0.0052 0.0255 0.0414 77 ARG C CB 4002 C CG . ARG C 77 ? 0.2485 0.1564 0.1026 -0.0157 0.0341 0.0183 77 ARG C CG 4003 C CD . ARG C 77 ? 0.2483 0.1588 0.1114 -0.0184 0.0438 0.0277 77 ARG C CD 4004 N NE . ARG C 77 ? 0.2542 0.1538 0.1221 -0.0123 0.0450 0.0126 77 ARG C NE 4005 C CZ . ARG C 77 ? 0.2574 0.1658 0.1527 -0.0238 0.0454 -0.0175 77 ARG C CZ 4006 N NH1 . ARG C 77 ? 0.2525 0.1790 0.1611 -0.0257 0.0606 -0.0259 77 ARG C NH1 4007 N NH2 . ARG C 77 ? 0.2687 0.1725 0.1880 -0.0309 0.0355 -0.0146 77 ARG C NH2 4008 N N . HIS C 78 ? 0.1259 0.0718 0.0534 0.0215 0.0027 0.0246 78 HIS C N 4009 C CA . HIS C 78 ? 0.1142 0.0630 0.0492 0.0304 -0.0015 0.0159 78 HIS C CA 4010 C C . HIS C 78 ? 0.1156 0.0757 0.0550 0.0351 -0.0021 0.0157 78 HIS C C 4011 O O . HIS C 78 ? 0.1278 0.0833 0.0638 0.0385 -0.0047 0.0114 78 HIS C O 4012 C CB . HIS C 78 ? 0.1131 0.0885 0.0548 0.0496 0.0164 0.0096 78 HIS C CB 4013 C CG . HIS C 78 ? 0.1412 0.1121 0.0767 0.0673 0.0167 0.0076 78 HIS C CG 4014 N ND1 . HIS C 78 ? 0.1702 0.1532 0.0952 0.0916 0.0240 0.0123 78 HIS C ND1 4015 C CD2 . HIS C 78 ? 0.1512 0.1239 0.0935 0.0615 0.0110 0.0122 78 HIS C CD2 4016 C CE1 . HIS C 78 ? 0.1683 0.1574 0.0969 0.0955 0.0194 0.0146 78 HIS C CE1 4017 N NE2 . HIS C 78 ? 0.1527 0.1654 0.1002 0.0830 0.0252 0.0201 78 HIS C NE2 4018 N N . LYS C 79 ? 0.1349 0.0863 0.0471 0.0557 0.0001 0.0048 79 LYS C N 4019 C CA . LYS C 79 ? 0.1460 0.0965 0.0735 0.0413 0.0102 0.0214 79 LYS C CA 4020 C C . LYS C 79 ? 0.1243 0.0951 0.0561 0.0552 0.0045 -0.0018 79 LYS C C 4021 O O . LYS C 79 ? 0.1392 0.0989 0.0729 0.0551 0.0236 -0.0061 79 LYS C O 4022 C CB . LYS C 79 ? 0.1971 0.1873 0.1350 0.0245 0.0078 0.0432 79 LYS C CB 4023 C CG . LYS C 79 ? 0.2277 0.2129 0.1854 0.0000 0.0196 -0.0092 79 LYS C CG 4024 C CD . LYS C 79 ? 0.2744 0.2911 0.2360 -0.0288 0.0290 -0.0312 79 LYS C CD 4025 C CE . LYS C 79 ? 0.3144 0.3487 0.2837 -0.0294 0.0251 -0.0164 79 LYS C CE 4026 N NZ . LYS C 79 ? 0.3447 0.3793 0.3118 -0.0205 0.0261 -0.0131 79 LYS C NZ 4027 N N . VAL C 80 ? 0.1103 0.0794 0.0405 0.0355 0.0015 -0.0024 80 VAL C N 4028 C CA . VAL C 80 ? 0.1033 0.0684 0.0417 0.0386 0.0092 -0.0046 80 VAL C CA 4029 C C . VAL C 80 ? 0.0968 0.0691 0.0444 0.0283 0.0182 -0.0076 80 VAL C C 4030 O O . VAL C 80 ? 0.0916 0.1081 0.0378 0.0227 0.0127 -0.0085 80 VAL C O 4031 C CB . VAL C 80 ? 0.1081 0.0791 0.0467 0.0300 0.0085 0.0014 80 VAL C CB 4032 C CG1 . VAL C 80 ? 0.1113 0.1233 0.0594 0.0256 0.0024 -0.0055 80 VAL C CG1 4033 C CG2 . VAL C 80 ? 0.1132 0.0885 0.0518 0.0114 0.0102 0.0067 80 VAL C CG2 4034 N N . THR C 81 ? 0.1087 0.0885 0.0447 0.0529 0.0125 0.0053 81 THR C N 4035 C CA . THR C 81 ? 0.1137 0.0880 0.0427 0.0389 0.0085 0.0074 81 THR C CA 4036 C C . THR C 81 ? 0.0985 0.0883 0.0410 0.0352 0.0082 -0.0104 81 THR C C 4037 O O . THR C 81 ? 0.1048 0.1093 0.0561 0.0399 0.0220 0.0007 81 THR C O 4038 C CB . THR C 81 ? 0.1549 0.1068 0.0489 0.0133 0.0157 0.0134 81 THR C CB 4039 O OG1 . THR C 81 ? 0.2049 0.1150 0.0573 0.0089 0.0034 0.0091 81 THR C OG1 4040 C CG2 . THR C 81 ? 0.1569 0.1088 0.0703 -0.0010 0.0087 0.0061 81 THR C CG2 4041 N N . SER C 82 ? 0.1022 0.0811 0.0450 0.0317 0.0055 0.0017 82 SER C N 4042 C CA . SER C 82 ? 0.1129 0.0802 0.0733 0.0267 -0.0101 0.0010 82 SER C CA 4043 C C . SER C 82 ? 0.1092 0.1009 0.0550 0.0322 0.0112 0.0090 82 SER C C 4044 O O . SER C 82 ? 0.1091 0.1159 0.0397 0.0173 0.0171 0.0064 82 SER C O 4045 C CB . SER C 82 ? 0.1413 0.1111 0.1377 0.0263 -0.0289 0.0108 82 SER C CB 4046 O OG . SER C 82 ? 0.1454 0.1075 0.1656 0.0246 -0.0346 0.0058 82 SER C OG 4047 N N . LYS C 83 ? 0.0924 0.1013 0.0375 0.0307 0.0063 0.0152 83 LYS C N 4048 C CA . LYS C 83 ? 0.0941 0.0908 0.0421 0.0295 -0.0020 0.0038 83 LYS C CA 4049 C C . LYS C 83 ? 0.0885 0.0863 0.0434 0.0294 0.0038 0.0095 83 LYS C C 4050 O O . LYS C 83 ? 0.1017 0.0937 0.0579 0.0111 0.0096 0.0131 83 LYS C O 4051 C CB . LYS C 83 ? 0.1257 0.1143 0.0744 0.0416 0.0102 -0.0230 83 LYS C CB 4052 C CG . LYS C 83 ? 0.1800 0.1714 0.1267 0.0566 -0.0163 -0.0255 83 LYS C CG 4053 C CD . LYS C 83 ? 0.2438 0.2243 0.1893 0.0500 -0.0178 -0.0249 83 LYS C CD 4054 C CE . LYS C 83 ? 0.2921 0.2796 0.2336 0.0420 -0.0208 -0.0277 83 LYS C CE 4055 N NZ . LYS C 83 ? 0.3149 0.3107 0.2589 0.0214 -0.0178 -0.0241 83 LYS C NZ 4056 N N . VAL C 84 ? 0.0836 0.0898 0.0564 0.0283 0.0096 0.0039 84 VAL C N 4057 C CA . VAL C 84 ? 0.1089 0.0969 0.0617 0.0214 0.0021 -0.0089 84 VAL C CA 4058 C C . VAL C 84 ? 0.1046 0.1117 0.0641 0.0150 0.0066 0.0044 84 VAL C C 4059 O O . VAL C 84 ? 0.1205 0.1167 0.0778 0.0051 -0.0066 -0.0085 84 VAL C O 4060 C CB . VAL C 84 ? 0.1393 0.1066 0.0886 0.0383 -0.0019 -0.0189 84 VAL C CB 4061 C CG1 . VAL C 84 ? 0.1535 0.1505 0.0893 0.0441 0.0179 -0.0260 84 VAL C CG1 4062 C CG2 . VAL C 84 ? 0.1688 0.1106 0.1149 0.0337 -0.0224 -0.0425 84 VAL C CG2 4063 N N . ILE C 85 ? 0.1004 0.1564 0.0674 0.0320 0.0071 0.0139 85 ILE C N 4064 C CA . ILE C 85 ? 0.1196 0.1884 0.0810 0.0390 0.0144 0.0256 85 ILE C CA 4065 C C . ILE C 85 ? 0.1188 0.1916 0.1042 0.0422 0.0273 0.0304 85 ILE C C 4066 O O . ILE C 85 ? 0.1271 0.2179 0.1194 0.0195 0.0379 -0.0007 85 ILE C O 4067 C CB . ILE C 85 ? 0.1472 0.2293 0.0901 0.0606 0.0179 0.0254 85 ILE C CB 4068 C CG1 . ILE C 85 ? 0.1649 0.2683 0.0982 0.0746 0.0320 0.0302 85 ILE C CG1 4069 C CG2 . ILE C 85 ? 0.1572 0.2501 0.0999 0.0606 0.0067 0.0221 85 ILE C CG2 4070 C CD1 . ILE C 85 ? 0.1701 0.2925 0.1116 0.0782 0.0445 0.0392 85 ILE C CD1 4071 N N . GLU C 86 ? 0.1155 0.1985 0.1031 0.0570 0.0353 0.0454 86 GLU C N 4072 C CA . GLU C 86 ? 0.1471 0.2252 0.1297 0.0392 0.0343 0.0471 86 GLU C CA 4073 C C . GLU C 86 ? 0.1458 0.2381 0.1560 0.0309 0.0330 0.0346 86 GLU C C 4074 O O . GLU C 86 ? 0.1468 0.2659 0.1801 0.0425 0.0301 0.0041 86 GLU C O 4075 C CB . GLU C 86 ? 0.1966 0.2615 0.1546 0.0223 0.0211 0.0504 86 GLU C CB 4076 C CG . GLU C 86 ? 0.2249 0.2726 0.1667 0.0261 0.0179 0.0282 86 GLU C CG 4077 C CD . GLU C 86 ? 0.2478 0.2498 0.1512 0.0276 0.0025 0.0050 86 GLU C CD 4078 O OE1 . GLU C 86 ? 0.2220 0.2533 0.1364 0.0522 -0.0115 -0.0195 86 GLU C OE1 4079 O OE2 . GLU C 86 ? 0.2749 0.1792 0.1254 0.0251 0.0012 0.0175 86 GLU C OE2 4080 N N . LYS C 87 ? 0.1445 0.2294 0.1637 0.0419 0.0291 0.0642 87 LYS C N 4081 C CA . LYS C 87 ? 0.1490 0.2252 0.1613 0.0464 0.0359 0.0778 87 LYS C CA 4082 C C . LYS C 87 ? 0.1447 0.1902 0.1404 0.0346 0.0351 0.0425 87 LYS C C 4083 O O . LYS C 87 ? 0.1501 0.1904 0.1458 0.0293 0.0387 0.0259 87 LYS C O 4084 C CB . LYS C 87 ? 0.1710 0.2477 0.1985 0.0512 0.0303 0.1163 87 LYS C CB 4085 C CG . LYS C 87 ? 0.2167 0.3078 0.2506 0.0579 0.0314 0.1137 87 LYS C CG 4086 C CD . LYS C 87 ? 0.2803 0.3542 0.2988 0.0575 0.0336 0.0914 87 LYS C CD 4087 C CE . LYS C 87 ? 0.3313 0.3873 0.3376 0.0647 0.0284 0.0779 87 LYS C CE 4088 N NZ . LYS C 87 ? 0.3653 0.4146 0.3638 0.0644 0.0260 0.0607 87 LYS C NZ 4089 N N . PHE C 88 ? 0.1311 0.1914 0.1027 0.0262 0.0193 0.0226 88 PHE C N 4090 C CA . PHE C 88 ? 0.1461 0.1687 0.0946 0.0092 0.0182 0.0044 88 PHE C CA 4091 C C . PHE C 88 ? 0.1386 0.1502 0.0877 0.0018 0.0071 -0.0094 88 PHE C C 4092 O O . PHE C 88 ? 0.1615 0.1648 0.0940 -0.0009 0.0043 -0.0249 88 PHE C O 4093 C CB . PHE C 88 ? 0.1636 0.1794 0.1000 0.0242 0.0237 0.0046 88 PHE C CB 4094 C CG . PHE C 88 ? 0.1842 0.1485 0.1057 0.0097 0.0215 -0.0049 88 PHE C CG 4095 C CD1 . PHE C 88 ? 0.1921 0.1388 0.1065 0.0098 0.0146 -0.0190 88 PHE C CD1 4096 C CD2 . PHE C 88 ? 0.2095 0.1290 0.1110 -0.0151 0.0352 -0.0276 88 PHE C CD2 4097 C CE1 . PHE C 88 ? 0.2145 0.1380 0.1080 0.0148 0.0237 -0.0249 88 PHE C CE1 4098 C CE2 . PHE C 88 ? 0.2193 0.1378 0.1144 -0.0201 0.0303 -0.0303 88 PHE C CE2 4099 C CZ . PHE C 88 ? 0.2195 0.1364 0.1066 -0.0027 0.0309 -0.0332 88 PHE C CZ 4100 N N . PRO C 89 ? 0.1135 0.1349 0.0789 -0.0118 0.0027 -0.0091 89 PRO C N 4101 C CA . PRO C 89 ? 0.1058 0.1237 0.0765 -0.0215 0.0050 -0.0094 89 PRO C CA 4102 C C . PRO C 89 ? 0.1162 0.1386 0.0723 -0.0181 -0.0060 -0.0022 89 PRO C C 4103 O O . PRO C 89 ? 0.1427 0.1781 0.0914 -0.0350 -0.0192 0.0033 89 PRO C O 4104 C CB . PRO C 89 ? 0.1159 0.1382 0.1073 -0.0080 0.0110 -0.0092 89 PRO C CB 4105 C CG . PRO C 89 ? 0.1267 0.1712 0.1116 -0.0054 0.0074 -0.0242 89 PRO C CG 4106 C CD . PRO C 89 ? 0.1196 0.1466 0.0914 -0.0034 -0.0099 -0.0011 89 PRO C CD 4107 N N . ALA C 90 ? 0.1146 0.1537 0.0639 -0.0226 0.0015 -0.0017 90 ALA C N 4108 C CA . ALA C 90 ? 0.1259 0.1475 0.0616 -0.0353 0.0019 0.0056 90 ALA C CA 4109 C C . ALA C 90 ? 0.1206 0.1296 0.0478 -0.0131 0.0019 0.0226 90 ALA C C 4110 O O . ALA C 90 ? 0.1373 0.1079 0.0583 -0.0144 -0.0012 0.0236 90 ALA C O 4111 C CB . ALA C 90 ? 0.1659 0.1544 0.0634 -0.0668 0.0210 -0.0082 90 ALA C CB 4112 N N . PRO C 91 ? 0.0890 0.1194 0.0473 -0.0035 -0.0027 0.0114 91 PRO C N 4113 C CA . PRO C 91 ? 0.0902 0.1403 0.0561 0.0185 0.0055 -0.0123 91 PRO C CA 4114 C C . PRO C 91 ? 0.0840 0.1311 0.0469 -0.0114 0.0210 -0.0170 91 PRO C C 4115 O O . PRO C 91 ? 0.0980 0.1476 0.0563 -0.0147 0.0234 -0.0078 91 PRO C O 4116 C CB . PRO C 91 ? 0.1239 0.1485 0.0785 0.0219 0.0095 -0.0228 91 PRO C CB 4117 C CG . PRO C 91 ? 0.1176 0.1343 0.0803 0.0398 0.0074 0.0039 91 PRO C CG 4118 C CD . PRO C 91 ? 0.1118 0.1246 0.0669 0.0257 0.0021 0.0289 91 PRO C CD 4119 N N . VAL C 92 ? 0.0683 0.1071 0.0428 -0.0144 0.0172 -0.0146 92 VAL C N 4120 C CA . VAL C 92 ? 0.0847 0.1119 0.0412 -0.0155 0.0155 -0.0207 92 VAL C CA 4121 C C . VAL C 92 ? 0.0763 0.0838 0.0279 -0.0103 0.0110 -0.0084 92 VAL C C 4122 O O . VAL C 92 ? 0.0976 0.1325 0.0430 -0.0322 0.0137 -0.0029 92 VAL C O 4123 C CB . VAL C 92 ? 0.1014 0.1113 0.0692 -0.0013 0.0139 -0.0379 92 VAL C CB 4124 C CG1 . VAL C 92 ? 0.1074 0.1161 0.1125 0.0180 0.0321 -0.0044 92 VAL C CG1 4125 C CG2 . VAL C 92 ? 0.1190 0.1027 0.0762 0.0009 0.0151 -0.0411 92 VAL C CG2 4126 N N . HIS C 93 ? 0.0671 0.0605 0.0241 0.0061 0.0030 -0.0033 93 HIS C N 4127 C CA . HIS C 93 ? 0.0764 0.0642 0.0398 0.0020 0.0099 -0.0138 93 HIS C CA 4128 C C . HIS C 93 ? 0.0627 0.0550 0.0290 -0.0125 0.0087 -0.0159 93 HIS C C 4129 O O . HIS C 93 ? 0.0847 0.0852 0.0333 0.0107 0.0201 0.0001 93 HIS C O 4130 C CB . HIS C 93 ? 0.0880 0.0663 0.0558 0.0114 0.0015 -0.0070 93 HIS C CB 4131 C CG . HIS C 93 ? 0.0997 0.0799 0.0631 0.0056 0.0147 -0.0099 93 HIS C CG 4132 N ND1 . HIS C 93 ? 0.0984 0.0912 0.0586 -0.0095 -0.0014 -0.0167 93 HIS C ND1 4133 C CD2 . HIS C 93 ? 0.1158 0.0869 0.0656 -0.0028 0.0243 -0.0167 93 HIS C CD2 4134 C CE1 . HIS C 93 ? 0.0990 0.0917 0.0586 -0.0089 -0.0094 -0.0169 93 HIS C CE1 4135 N NE2 . HIS C 93 ? 0.1248 0.0955 0.0694 -0.0165 0.0051 -0.0109 93 HIS C NE2 4136 N N . ILE C 94 ? 0.0653 0.0717 0.0357 0.0063 0.0099 -0.0200 94 ILE C N 4137 C CA . ILE C 94 ? 0.0866 0.0913 0.0443 0.0169 0.0173 -0.0206 94 ILE C CA 4138 C C . ILE C 94 ? 0.0851 0.1202 0.0469 0.0142 0.0220 -0.0141 94 ILE C C 4139 O O . ILE C 94 ? 0.0921 0.1523 0.0520 0.0171 0.0125 -0.0236 94 ILE C O 4140 C CB . ILE C 94 ? 0.1367 0.0905 0.0770 0.0293 -0.0013 -0.0391 94 ILE C CB 4141 C CG1 . ILE C 94 ? 0.1788 0.0839 0.0946 0.0041 -0.0121 -0.0238 94 ILE C CG1 4142 C CG2 . ILE C 94 ? 0.1471 0.1098 0.1052 0.0511 -0.0066 -0.0304 94 ILE C CG2 4143 C CD1 . ILE C 94 ? 0.2088 0.1078 0.1138 -0.0106 -0.0098 -0.0179 94 ILE C CD1 4144 N N A CYS C 95 ? 0.0727 0.1131 0.0417 0.0197 0.0171 -0.0063 95 CYS C N 4145 N N B CYS C 95 ? 0.0856 0.1297 0.0451 0.0132 0.0173 -0.0148 95 CYS C N 4146 C CA A CYS C 95 ? 0.0724 0.0912 0.0402 0.0207 0.0220 0.0055 95 CYS C CA 4147 C CA B CYS C 95 ? 0.1010 0.1152 0.0574 -0.0131 0.0169 -0.0127 95 CYS C CA 4148 C C A CYS C 95 ? 0.0635 0.0832 0.0297 0.0124 0.0144 -0.0018 95 CYS C C 4149 C C B CYS C 95 ? 0.0838 0.1035 0.0385 -0.0008 0.0121 -0.0168 95 CYS C C 4150 O O A CYS C 95 ? 0.0678 0.0918 0.0321 0.0177 0.0094 0.0045 95 CYS C O 4151 O O B CYS C 95 ? 0.0919 0.1201 0.0377 0.0108 0.0148 -0.0089 95 CYS C O 4152 C CB A CYS C 95 ? 0.0930 0.0968 0.0740 0.0538 0.0206 0.0175 95 CYS C CB 4153 C CB B CYS C 95 ? 0.1429 0.1218 0.1143 -0.0324 0.0040 -0.0121 95 CYS C CB 4154 S SG A CYS C 95 ? 0.1262 0.1429 0.1035 0.0464 0.0324 0.0330 95 CYS C SG 4155 S SG B CYS C 95 ? 0.1805 0.1482 0.1574 -0.0407 -0.0174 0.0097 95 CYS C SG 4156 N N . VAL C 96 ? 0.0729 0.0824 0.0321 0.0135 0.0143 -0.0099 96 VAL C N 4157 C CA . VAL C 96 ? 0.0870 0.0770 0.0449 0.0131 0.0038 -0.0186 96 VAL C CA 4158 C C . VAL C 96 ? 0.0748 0.0783 0.0337 0.0303 0.0019 -0.0114 96 VAL C C 4159 O O . VAL C 96 ? 0.0664 0.0944 0.0484 0.0231 0.0034 -0.0174 96 VAL C O 4160 C CB . VAL C 96 ? 0.1203 0.1023 0.0762 0.0035 -0.0093 -0.0180 96 VAL C CB 4161 C CG1 . VAL C 96 ? 0.1437 0.1247 0.0948 -0.0217 -0.0031 0.0071 96 VAL C CG1 4162 C CG2 . VAL C 96 ? 0.1358 0.1302 0.1027 0.0023 -0.0290 -0.0290 96 VAL C CG2 4163 N N . SER C 97 ? 0.0863 0.0896 0.0385 0.0191 0.0017 -0.0220 97 SER C N 4164 C CA . SER C 97 ? 0.0867 0.0779 0.0471 0.0251 -0.0009 -0.0259 97 SER C CA 4165 C C . SER C 97 ? 0.0937 0.0738 0.0416 0.0246 -0.0047 -0.0216 97 SER C C 4166 O O . SER C 97 ? 0.1104 0.0892 0.0486 0.0273 0.0019 -0.0248 97 SER C O 4167 C CB . SER C 97 ? 0.1044 0.0941 0.0588 0.0184 0.0114 -0.0278 97 SER C CB 4168 O OG . SER C 97 ? 0.1207 0.0994 0.0800 0.0026 0.0102 -0.0169 97 SER C OG 4169 N N . TRP C 98 ? 0.0892 0.0907 0.0443 0.0374 -0.0002 -0.0142 98 TRP C N 4170 C CA . TRP C 98 ? 0.0883 0.0806 0.0569 0.0402 0.0038 -0.0182 98 TRP C CA 4171 C C . TRP C 98 ? 0.0763 0.0818 0.0513 0.0361 -0.0027 -0.0226 98 TRP C C 4172 O O . TRP C 98 ? 0.0890 0.0995 0.0513 0.0252 0.0007 -0.0309 98 TRP C O 4173 C CB . TRP C 98 ? 0.0865 0.0912 0.0617 0.0317 0.0065 -0.0163 98 TRP C CB 4174 C CG . TRP C 98 ? 0.1028 0.0795 0.0666 0.0267 0.0035 -0.0077 98 TRP C CG 4175 C CD1 . TRP C 98 ? 0.0995 0.0758 0.0696 0.0270 -0.0063 -0.0119 98 TRP C CD1 4176 C CD2 . TRP C 98 ? 0.1068 0.0835 0.0782 0.0310 0.0092 0.0039 98 TRP C CD2 4177 N NE1 . TRP C 98 ? 0.1113 0.0706 0.0835 0.0176 0.0179 0.0050 98 TRP C NE1 4178 C CE2 . TRP C 98 ? 0.1115 0.0768 0.0845 0.0182 0.0160 0.0197 98 TRP C CE2 4179 C CE3 . TRP C 98 ? 0.1256 0.0979 0.0818 0.0200 0.0012 0.0144 98 TRP C CE3 4180 C CZ2 . TRP C 98 ? 0.1231 0.1004 0.0966 0.0254 0.0100 0.0391 98 TRP C CZ2 4181 C CZ3 . TRP C 98 ? 0.1432 0.1379 0.0890 0.0113 -0.0078 0.0165 98 TRP C CZ3 4182 C CH2 . TRP C 98 ? 0.1333 0.1343 0.1007 0.0112 -0.0008 0.0349 98 TRP C CH2 4183 N N . GLU C 99 ? 0.0767 0.1146 0.0748 0.0356 0.0005 -0.0169 99 GLU C N 4184 C CA . GLU C 99 ? 0.1031 0.1169 0.1049 0.0401 -0.0023 -0.0260 99 GLU C CA 4185 C C . GLU C 99 ? 0.0934 0.1204 0.0850 0.0458 -0.0130 -0.0322 99 GLU C C 4186 O O . GLU C 99 ? 0.1089 0.1282 0.0765 0.0554 -0.0161 -0.0404 99 GLU C O 4187 C CB . GLU C 99 ? 0.1451 0.0846 0.1660 0.0088 -0.0113 -0.0122 99 GLU C CB 4188 C CG . GLU C 99 ? 0.2202 0.1315 0.1965 -0.0066 0.0003 -0.0283 99 GLU C CG 4189 C CD . GLU C 99 ? 0.2809 0.1504 0.2037 -0.0146 0.0233 -0.0351 99 GLU C CD 4190 O OE1 . GLU C 99 ? 0.2626 0.1561 0.1871 -0.0166 0.0371 -0.0396 99 GLU C OE1 4191 O OE2 . GLU C 99 ? 0.3399 0.1660 0.2203 0.0061 0.0253 -0.0334 99 GLU C OE2 4192 N N . SER C 100 ? 0.0878 0.1267 0.0856 0.0366 -0.0029 -0.0289 100 SER C N 4193 C CA . SER C 100 ? 0.1084 0.1454 0.0836 0.0200 0.0063 -0.0296 100 SER C CA 4194 C C . SER C 100 ? 0.1099 0.1372 0.0720 0.0331 0.0089 -0.0282 100 SER C C 4195 O O . SER C 100 ? 0.1320 0.1182 0.0763 0.0238 0.0160 -0.0176 100 SER C O 4196 C CB . SER C 100 ? 0.1309 0.1467 0.0779 0.0339 0.0040 -0.0189 100 SER C CB 4197 O OG . SER C 100 ? 0.1530 0.1705 0.0863 0.0306 0.0056 -0.0081 100 SER C OG 4198 N N . SER C 101 ? 0.0818 0.1475 0.0789 0.0437 -0.0005 -0.0042 101 SER C N 4199 C CA . SER C 101 ? 0.1111 0.1804 0.1055 0.0339 0.0151 -0.0256 101 SER C CA 4200 C C . SER C 101 ? 0.0973 0.1594 0.0972 0.0360 0.0002 -0.0358 101 SER C C 4201 O O . SER C 101 ? 0.1081 0.1707 0.1261 0.0386 0.0125 -0.0294 101 SER C O 4202 C CB . SER C 101 ? 0.1592 0.2185 0.1493 0.0031 0.0227 -0.0229 101 SER C CB 4203 O OG . SER C 101 ? 0.1927 0.2177 0.1957 -0.0105 0.0348 -0.0292 101 SER C OG 4204 N N . SER C 102 ? 0.0932 0.1224 0.0840 0.0280 -0.0029 -0.0358 102 SER C N 4205 C CA . SER C 102 ? 0.1108 0.1144 0.0706 0.0218 0.0109 -0.0199 102 SER C CA 4206 C C . SER C 102 ? 0.1081 0.1063 0.0601 0.0314 0.0117 -0.0118 102 SER C C 4207 O O . SER C 102 ? 0.1133 0.1158 0.0689 0.0276 0.0197 -0.0059 102 SER C O 4208 C CB . SER C 102 ? 0.1108 0.1292 0.0695 0.0050 0.0086 -0.0145 102 SER C CB 4209 O OG . SER C 102 ? 0.1124 0.1426 0.0737 0.0162 -0.0043 0.0037 102 SER C OG 4210 N N . GLY C 103 ? 0.1128 0.0903 0.0442 0.0314 0.0040 -0.0065 103 GLY C N 4211 C CA . GLY C 103 ? 0.0953 0.0832 0.0424 0.0393 0.0026 0.0045 103 GLY C CA 4212 C C . GLY C 103 ? 0.0966 0.0863 0.0378 0.0322 0.0093 -0.0049 103 GLY C C 4213 O O . GLY C 103 ? 0.0911 0.0958 0.0532 0.0127 0.0081 -0.0018 103 GLY C O 4214 N N . ILE C 104 ? 0.1063 0.0850 0.0443 0.0366 0.0075 0.0030 104 ILE C N 4215 C CA . ILE C 104 ? 0.1105 0.0917 0.0397 0.0150 0.0082 -0.0059 104 ILE C CA 4216 C C . ILE C 104 ? 0.1025 0.0813 0.0416 0.0198 0.0043 -0.0213 104 ILE C C 4217 O O . ILE C 104 ? 0.1122 0.0893 0.0419 0.0173 -0.0083 -0.0197 104 ILE C O 4218 C CB . ILE C 104 ? 0.1217 0.1270 0.0551 0.0187 0.0095 0.0149 104 ILE C CB 4219 C CG1 . ILE C 104 ? 0.1161 0.1593 0.0710 0.0268 0.0148 0.0026 104 ILE C CG1 4220 C CG2 . ILE C 104 ? 0.1202 0.1381 0.0651 0.0161 0.0157 0.0326 104 ILE C CG2 4221 C CD1 . ILE C 104 ? 0.1252 0.1998 0.0990 0.0437 0.0136 -0.0025 104 ILE C CD1 4222 N N . ALA C 105 ? 0.0856 0.0857 0.0545 0.0235 -0.0010 -0.0208 105 ALA C N 4223 C CA . ALA C 105 ? 0.0923 0.0839 0.0651 0.0156 0.0050 -0.0263 105 ALA C CA 4224 C C . ALA C 105 ? 0.0988 0.0873 0.0519 0.0388 0.0032 -0.0201 105 ALA C C 4225 O O . ALA C 105 ? 0.1269 0.0948 0.0494 0.0279 0.0089 -0.0208 105 ALA C O 4226 C CB . ALA C 105 ? 0.0879 0.1028 0.0838 0.0244 0.0024 0.0103 105 ALA C CB 4227 N N . GLU C 106 ? 0.0947 0.1119 0.0473 0.0541 -0.0033 -0.0129 106 GLU C N 4228 C CA . GLU C 106 ? 0.1033 0.1185 0.0486 0.0387 -0.0181 -0.0213 106 GLU C CA 4229 C C . GLU C 106 ? 0.0889 0.1102 0.0523 0.0389 -0.0048 -0.0278 106 GLU C C 4230 O O . GLU C 106 ? 0.1091 0.1832 0.0689 0.0397 -0.0131 -0.0424 106 GLU C O 4231 C CB . GLU C 106 ? 0.1592 0.1858 0.0874 0.0144 -0.0190 0.0063 106 GLU C CB 4232 C CG . GLU C 106 ? 0.1881 0.2161 0.1157 0.0095 -0.0012 -0.0012 106 GLU C CG 4233 C CD . GLU C 106 ? 0.1993 0.2282 0.1563 0.0069 0.0090 -0.0097 106 GLU C CD 4234 O OE1 . GLU C 106 ? 0.1817 0.2150 0.1707 -0.0156 0.0006 -0.0155 106 GLU C OE1 4235 O OE2 . GLU C 106 ? 0.2196 0.2517 0.1728 0.0268 0.0295 -0.0116 106 GLU C OE2 4236 N N . PHE C 107 ? 0.0879 0.0701 0.0396 0.0239 -0.0030 -0.0202 107 PHE C N 4237 C CA . PHE C 107 ? 0.0980 0.0642 0.0293 0.0190 0.0036 -0.0047 107 PHE C CA 4238 C C . PHE C 107 ? 0.0880 0.0451 0.0297 0.0156 0.0104 -0.0044 107 PHE C C 4239 O O . PHE C 107 ? 0.0942 0.0765 0.0359 0.0134 0.0193 -0.0075 107 PHE C O 4240 C CB . PHE C 107 ? 0.1304 0.0760 0.0354 -0.0128 0.0010 0.0049 107 PHE C CB 4241 C CG . PHE C 107 ? 0.1420 0.0830 0.0603 -0.0176 0.0049 -0.0005 107 PHE C CG 4242 C CD1 . PHE C 107 ? 0.1382 0.0882 0.0650 -0.0091 0.0047 -0.0001 107 PHE C CD1 4243 C CD2 . PHE C 107 ? 0.1352 0.0888 0.0686 -0.0034 0.0045 -0.0001 107 PHE C CD2 4244 C CE1 . PHE C 107 ? 0.1302 0.1012 0.0651 -0.0163 -0.0045 -0.0052 107 PHE C CE1 4245 C CE2 . PHE C 107 ? 0.1424 0.0859 0.0646 -0.0045 0.0010 0.0159 107 PHE C CE2 4246 C CZ . PHE C 107 ? 0.1422 0.0882 0.0678 -0.0168 -0.0031 0.0133 107 PHE C CZ 4247 N N . TRP C 108 ? 0.0810 0.0584 0.0265 0.0159 0.0109 0.0000 108 TRP C N 4248 C CA . TRP C 108 ? 0.0887 0.0777 0.0341 0.0144 0.0161 -0.0095 108 TRP C CA 4249 C C . TRP C 108 ? 0.0747 0.0697 0.0296 0.0182 0.0152 0.0023 108 TRP C C 4250 O O . TRP C 108 ? 0.0946 0.1000 0.0393 0.0167 0.0208 0.0126 108 TRP C O 4251 C CB . TRP C 108 ? 0.1018 0.0883 0.0751 0.0048 0.0144 -0.0143 108 TRP C CB 4252 C CG . TRP C 108 ? 0.1086 0.0932 0.1092 -0.0069 0.0169 -0.0121 108 TRP C CG 4253 C CD1 . TRP C 108 ? 0.1196 0.1087 0.1347 -0.0120 0.0078 -0.0017 108 TRP C CD1 4254 C CD2 . TRP C 108 ? 0.1229 0.1000 0.1101 -0.0152 0.0351 -0.0394 108 TRP C CD2 4255 N NE1 . TRP C 108 ? 0.1190 0.1079 0.1439 -0.0211 0.0130 -0.0148 108 TRP C NE1 4256 C CE2 . TRP C 108 ? 0.1273 0.1112 0.1293 -0.0245 0.0406 -0.0340 108 TRP C CE2 4257 C CE3 . TRP C 108 ? 0.1330 0.1155 0.1160 -0.0315 0.0487 -0.0386 108 TRP C CE3 4258 C CZ2 . TRP C 108 ? 0.1447 0.1244 0.1396 -0.0384 0.0436 -0.0433 108 TRP C CZ2 4259 C CZ3 . TRP C 108 ? 0.1593 0.1476 0.1370 -0.0405 0.0566 -0.0369 108 TRP C CZ3 4260 C CH2 . TRP C 108 ? 0.1505 0.1347 0.1370 -0.0502 0.0456 -0.0503 108 TRP C CH2 4261 N N . ILE C 109 ? 0.0632 0.0819 0.0301 0.0093 0.0129 -0.0101 109 ILE C N 4262 C CA . ILE C 109 ? 0.0706 0.0770 0.0387 0.0076 0.0225 -0.0151 109 ILE C CA 4263 C C . ILE C 109 ? 0.0829 0.0731 0.0382 0.0190 0.0233 0.0017 109 ILE C C 4264 O O . ILE C 109 ? 0.1073 0.1008 0.0482 0.0099 0.0324 0.0105 109 ILE C O 4265 C CB . ILE C 109 ? 0.0974 0.0898 0.0580 -0.0011 0.0231 -0.0331 109 ILE C CB 4266 C CG1 . ILE C 109 ? 0.1180 0.0919 0.0717 -0.0274 0.0266 -0.0274 109 ILE C CG1 4267 C CG2 . ILE C 109 ? 0.1151 0.1347 0.0838 -0.0049 0.0284 -0.0431 109 ILE C CG2 4268 C CD1 . ILE C 109 ? 0.1468 0.0837 0.0819 -0.0351 0.0268 0.0074 109 ILE C CD1 4269 N N . ASN C 110 ? 0.0907 0.0823 0.0475 0.0324 0.0269 0.0081 110 ASN C N 4270 C CA . ASN C 110 ? 0.1047 0.1110 0.0694 0.0311 0.0284 0.0101 110 ASN C CA 4271 C C . ASN C 110 ? 0.1281 0.1024 0.0812 0.0300 0.0519 0.0264 110 ASN C C 4272 O O . ASN C 110 ? 0.1629 0.1265 0.1111 0.0523 0.0660 0.0465 110 ASN C O 4273 C CB . ASN C 110 ? 0.1003 0.1741 0.0686 0.0330 0.0217 0.0309 110 ASN C CB 4274 C CG . ASN C 110 ? 0.0993 0.1920 0.0696 0.0139 0.0070 0.0464 110 ASN C CG 4275 O OD1 . ASN C 110 ? 0.0916 0.1826 0.0674 0.0256 0.0059 0.0440 110 ASN C OD1 4276 N ND2 . ASN C 110 ? 0.0999 0.2367 0.0898 -0.0260 0.0038 0.0358 110 ASN C ND2 4277 N N . GLY C 111 ? 0.1324 0.0842 0.0925 0.0301 0.0540 0.0224 111 GLY C N 4278 C CA . GLY C 111 ? 0.1323 0.0830 0.1108 0.0098 0.0509 0.0234 111 GLY C CA 4279 C C . GLY C 111 ? 0.1332 0.1158 0.1142 0.0142 0.0656 0.0306 111 GLY C C 4280 O O . GLY C 111 ? 0.1596 0.1854 0.1304 -0.0031 0.0796 0.0225 111 GLY C O 4281 N N A THR C 112 ? 0.1189 0.1042 0.1018 0.0318 0.0600 0.0268 112 THR C N 4282 N N B THR C 112 ? 0.1227 0.0937 0.1045 0.0242 0.0625 0.0274 112 THR C N 4283 C CA A THR C 112 ? 0.1147 0.1266 0.0935 0.0401 0.0314 0.0167 112 THR C CA 4284 C CA B THR C 112 ? 0.1151 0.0873 0.0944 0.0297 0.0485 0.0197 112 THR C CA 4285 C C A THR C 112 ? 0.0892 0.1011 0.0736 0.0293 0.0215 0.0124 112 THR C C 4286 C C B THR C 112 ? 0.0991 0.0786 0.0780 0.0252 0.0372 0.0206 112 THR C C 4287 O O A THR C 112 ? 0.0755 0.1196 0.0734 0.0327 0.0276 0.0095 112 THR C O 4288 O O B THR C 112 ? 0.0970 0.0865 0.0778 0.0294 0.0445 0.0303 112 THR C O 4289 C CB A THR C 112 ? 0.1407 0.1832 0.1098 0.0650 0.0088 0.0233 112 THR C CB 4290 C CB B THR C 112 ? 0.1216 0.0940 0.1028 0.0409 0.0421 0.0130 112 THR C CB 4291 O OG1 A THR C 112 ? 0.1606 0.2580 0.1458 0.0676 -0.0056 0.0319 112 THR C OG1 4292 O OG1 B THR C 112 ? 0.1545 0.1504 0.1322 0.0259 0.0482 0.0167 112 THR C OG1 4293 C CG2 A THR C 112 ? 0.1561 0.1896 0.1087 0.0338 0.0065 0.0281 112 THR C CG2 4294 C CG2 B THR C 112 ? 0.1000 0.0633 0.0819 0.0404 0.0235 0.0044 112 THR C CG2 4295 N N . PRO C 113 ? 0.0867 0.0661 0.0662 0.0201 0.0259 0.0088 113 PRO C N 4296 C CA . PRO C 113 ? 0.0871 0.0697 0.0589 0.0205 0.0239 -0.0035 113 PRO C CA 4297 C C . PRO C 113 ? 0.0862 0.0627 0.0393 0.0146 0.0154 -0.0034 113 PRO C C 4298 O O . PRO C 113 ? 0.1041 0.0895 0.0363 0.0071 0.0114 0.0032 113 PRO C O 4299 C CB . PRO C 113 ? 0.0978 0.0807 0.0640 0.0050 0.0232 -0.0044 113 PRO C CB 4300 C CG . PRO C 113 ? 0.1061 0.0874 0.0675 0.0074 0.0439 -0.0082 113 PRO C CG 4301 C CD . PRO C 113 ? 0.1037 0.0772 0.0767 -0.0015 0.0373 -0.0037 113 PRO C CD 4302 N N . LEU C 114 ? 0.0874 0.0549 0.0433 0.0252 0.0163 -0.0036 114 LEU C N 4303 C CA . LEU C 114 ? 0.0786 0.0513 0.0485 0.0047 0.0176 -0.0072 114 LEU C CA 4304 C C . LEU C 114 ? 0.0799 0.0478 0.0439 -0.0007 0.0181 -0.0033 114 LEU C C 4305 O O . LEU C 114 ? 0.0879 0.0668 0.0575 0.0004 0.0194 -0.0127 114 LEU C O 4306 C CB . LEU C 114 ? 0.0861 0.0823 0.0564 0.0082 0.0148 0.0019 114 LEU C CB 4307 C CG . LEU C 114 ? 0.0992 0.1066 0.0933 0.0093 0.0306 0.0271 114 LEU C CG 4308 C CD1 . LEU C 114 ? 0.0972 0.0786 0.0898 0.0139 0.0436 0.0314 114 LEU C CD1 4309 C CD2 . LEU C 114 ? 0.0968 0.1464 0.1159 -0.0028 0.0190 0.0302 114 LEU C CD2 4310 N N . VAL C 115 ? 0.0800 0.0562 0.0426 0.0072 0.0088 -0.0003 115 VAL C N 4311 C CA . VAL C 115 ? 0.0799 0.0444 0.0366 -0.0020 0.0163 -0.0050 115 VAL C CA 4312 C C . VAL C 115 ? 0.0914 0.0412 0.0412 0.0092 0.0160 -0.0071 115 VAL C C 4313 O O . VAL C 115 ? 0.1039 0.0819 0.0382 0.0035 0.0217 -0.0114 115 VAL C O 4314 C CB . VAL C 115 ? 0.0812 0.0669 0.0311 -0.0020 0.0179 -0.0100 115 VAL C CB 4315 C CG1 . VAL C 115 ? 0.0912 0.0807 0.0411 0.0144 0.0196 -0.0064 115 VAL C CG1 4316 C CG2 . VAL C 115 ? 0.0890 0.0872 0.0401 0.0065 0.0230 -0.0187 115 VAL C CG2 4317 N N . LYS C 116 ? 0.0994 0.0562 0.0376 0.0204 0.0110 -0.0096 116 LYS C N 4318 C CA . LYS C 116 ? 0.1088 0.0837 0.0432 0.0386 0.0035 -0.0124 116 LYS C CA 4319 C C . LYS C 116 ? 0.1193 0.1009 0.0467 0.0357 0.0134 -0.0113 116 LYS C C 4320 O O . LYS C 116 ? 0.1492 0.1247 0.0578 0.0499 0.0095 -0.0161 116 LYS C O 4321 C CB . LYS C 116 ? 0.1099 0.0975 0.0682 0.0365 0.0014 -0.0249 116 LYS C CB 4322 C CG . LYS C 116 ? 0.1246 0.1172 0.1048 0.0267 -0.0018 -0.0243 116 LYS C CG 4323 C CD . LYS C 116 ? 0.1272 0.1583 0.1523 -0.0014 -0.0092 -0.0364 116 LYS C CD 4324 C CE . LYS C 116 ? 0.1570 0.1924 0.2029 0.0088 0.0113 -0.0063 116 LYS C CE 4325 N NZ . LYS C 116 ? 0.1664 0.1598 0.2225 0.0138 0.0404 0.0222 116 LYS C NZ 4326 N N . LYS C 117 ? 0.1145 0.0988 0.0351 0.0240 0.0071 0.0025 117 LYS C N 4327 C CA . LYS C 117 ? 0.0948 0.0817 0.0399 0.0329 0.0070 -0.0057 117 LYS C CA 4328 C C . LYS C 117 ? 0.0991 0.0823 0.0575 0.0413 0.0015 -0.0205 117 LYS C C 4329 O O . LYS C 117 ? 0.1323 0.1350 0.1036 0.0637 -0.0242 -0.0512 117 LYS C O 4330 C CB . LYS C 117 ? 0.1145 0.0950 0.0490 0.0336 0.0230 0.0021 117 LYS C CB 4331 C CG . LYS C 117 ? 0.1030 0.0911 0.0499 0.0161 0.0323 0.0146 117 LYS C CG 4332 C CD . LYS C 117 ? 0.0989 0.1191 0.0473 0.0073 0.0260 -0.0134 117 LYS C CD 4333 C CE . LYS C 117 ? 0.1016 0.1499 0.0653 0.0114 0.0183 -0.0117 117 LYS C CE 4334 N NZ . LYS C 117 ? 0.1275 0.1770 0.0728 0.0063 0.0210 -0.0138 117 LYS C NZ 4335 N N . GLY C 118 ? 0.0964 0.0771 0.0419 0.0102 0.0034 -0.0084 118 GLY C N 4336 C CA . GLY C 118 ? 0.0962 0.0829 0.0470 0.0198 -0.0021 0.0073 118 GLY C CA 4337 C C . GLY C 118 ? 0.0988 0.0836 0.0504 0.0390 0.0045 0.0013 118 GLY C C 4338 O O . GLY C 118 ? 0.1423 0.1090 0.0700 0.0239 0.0197 -0.0104 118 GLY C O 4339 N N . LEU C 119 ? 0.0993 0.0927 0.0433 0.0338 0.0013 0.0111 119 LEU C N 4340 C CA . LEU C 119 ? 0.1220 0.1070 0.0407 0.0400 0.0014 0.0049 119 LEU C CA 4341 C C . LEU C 119 ? 0.1154 0.1140 0.0433 0.0324 0.0055 0.0049 119 LEU C C 4342 O O . LEU C 119 ? 0.0982 0.0961 0.0641 0.0249 0.0077 0.0082 119 LEU C O 4343 C CB . LEU C 119 ? 0.1237 0.1040 0.0425 0.0199 0.0100 0.0122 119 LEU C CB 4344 C CG . LEU C 119 ? 0.1125 0.0770 0.0472 0.0032 0.0141 -0.0019 119 LEU C CG 4345 C CD1 . LEU C 119 ? 0.1088 0.1264 0.0483 0.0215 0.0197 0.0086 119 LEU C CD1 4346 C CD2 . LEU C 119 ? 0.1228 0.0932 0.0549 0.0008 0.0096 -0.0063 119 LEU C CD2 4347 N N . ARG C 120 ? 0.1449 0.1044 0.0451 0.0438 0.0026 0.0013 120 ARG C N 4348 C CA . ARG C 120 ? 0.1557 0.1165 0.0531 0.0490 0.0009 0.0144 120 ARG C CA 4349 C C . ARG C 120 ? 0.1360 0.1143 0.0458 0.0400 -0.0012 0.0114 120 ARG C C 4350 O O . ARG C 120 ? 0.1192 0.1488 0.0507 0.0485 0.0036 0.0155 120 ARG C O 4351 C CB . ARG C 120 ? 0.1916 0.1187 0.0638 0.0414 -0.0035 0.0035 120 ARG C CB 4352 C CG . ARG C 120 ? 0.2448 0.1753 0.1012 0.0387 -0.0184 -0.0055 120 ARG C CG 4353 C CD . ARG C 120 ? 0.3243 0.2646 0.1471 0.0457 -0.0201 -0.0480 120 ARG C CD 4354 N NE . ARG C 120 ? 0.3818 0.2876 0.1749 0.0577 -0.0143 -0.0385 120 ARG C NE 4355 C CZ . ARG C 120 ? 0.3782 0.2477 0.1763 0.0902 -0.0120 -0.0089 120 ARG C CZ 4356 N NH1 . ARG C 120 ? 0.3467 0.2192 0.1569 0.1499 -0.0368 -0.0055 120 ARG C NH1 4357 N NH2 . ARG C 120 ? 0.3876 0.2679 0.2031 0.0837 0.0245 -0.0231 120 ARG C NH2 4358 N N . GLN C 121 ? 0.1260 0.1059 0.0599 0.0288 0.0031 0.0031 121 GLN C N 4359 C CA . GLN C 121 ? 0.1197 0.1149 0.0681 0.0478 0.0028 0.0073 121 GLN C CA 4360 C C . GLN C 121 ? 0.1220 0.1349 0.0682 0.0691 0.0042 -0.0051 121 GLN C C 4361 O O . GLN C 121 ? 0.1479 0.1680 0.0876 0.0717 0.0001 -0.0226 121 GLN C O 4362 C CB . GLN C 121 ? 0.1283 0.1195 0.0979 0.0548 0.0207 0.0078 121 GLN C CB 4363 C CG . GLN C 121 ? 0.1297 0.1595 0.1216 0.0605 0.0130 -0.0023 121 GLN C CG 4364 C CD . GLN C 121 ? 0.1444 0.1781 0.1504 0.0517 0.0241 -0.0227 121 GLN C CD 4365 O OE1 . GLN C 121 ? 0.1668 0.1803 0.1590 0.0262 0.0477 -0.0315 121 GLN C OE1 4366 N NE2 . GLN C 121 ? 0.1619 0.2084 0.1617 0.0664 0.0196 -0.0152 121 GLN C NE2 4367 N N . GLY C 122 ? 0.1072 0.1459 0.0588 0.0533 0.0001 -0.0049 122 GLY C N 4368 C CA . GLY C 122 ? 0.1134 0.1572 0.0626 0.0562 -0.0004 -0.0047 122 GLY C CA 4369 C C . GLY C 122 ? 0.1225 0.1893 0.0700 0.0398 -0.0157 -0.0020 122 GLY C C 4370 O O . GLY C 122 ? 0.1349 0.2557 0.0843 0.0168 -0.0251 -0.0184 122 GLY C O 4371 N N . TYR C 123 ? 0.1290 0.1668 0.0709 0.0422 -0.0060 0.0087 123 TYR C N 4372 C CA . TYR C 123 ? 0.1312 0.1697 0.0761 0.0321 -0.0029 -0.0001 123 TYR C CA 4373 C C . TYR C 123 ? 0.1318 0.1646 0.0761 0.0354 -0.0031 0.0099 123 TYR C C 4374 O O . TYR C 123 ? 0.1262 0.1617 0.1073 0.0554 0.0045 0.0121 123 TYR C O 4375 C CB . TYR C 123 ? 0.1388 0.1600 0.0859 0.0187 0.0077 -0.0005 123 TYR C CB 4376 C CG . TYR C 123 ? 0.1396 0.1731 0.0840 0.0223 0.0021 0.0063 123 TYR C CG 4377 C CD1 . TYR C 123 ? 0.1460 0.1929 0.1100 0.0546 0.0198 0.0068 123 TYR C CD1 4378 C CD2 . TYR C 123 ? 0.1271 0.1621 0.0732 0.0264 0.0032 0.0083 123 TYR C CD2 4379 C CE1 . TYR C 123 ? 0.1426 0.2021 0.1221 0.0573 0.0325 0.0039 123 TYR C CE1 4380 C CE2 . TYR C 123 ? 0.1310 0.1689 0.0815 0.0395 0.0061 0.0012 123 TYR C CE2 4381 C CZ . TYR C 123 ? 0.1454 0.1850 0.1166 0.0409 0.0282 0.0088 123 TYR C CZ 4382 O OH . TYR C 123 ? 0.1616 0.1864 0.1345 0.0391 0.0424 0.0302 123 TYR C OH 4383 N N . PHE C 124 ? 0.1390 0.1904 0.0770 0.0345 0.0095 0.0055 124 PHE C N 4384 C CA . PHE C 124 ? 0.1521 0.2237 0.0904 0.0162 0.0047 -0.0159 124 PHE C CA 4385 C C . PHE C 124 ? 0.1526 0.1919 0.0883 0.0258 -0.0008 -0.0221 124 PHE C C 4386 O O . PHE C 124 ? 0.1626 0.1892 0.1018 0.0278 0.0012 -0.0255 124 PHE C O 4387 C CB . PHE C 124 ? 0.1833 0.2956 0.1257 -0.0020 0.0086 -0.0462 124 PHE C CB 4388 C CG . PHE C 124 ? 0.2150 0.3582 0.1784 -0.0388 0.0120 -0.0579 124 PHE C CG 4389 C CD1 . PHE C 124 ? 0.2258 0.3775 0.2210 -0.0628 0.0241 -0.0603 124 PHE C CD1 4390 C CD2 . PHE C 124 ? 0.2337 0.3993 0.2101 -0.0473 0.0246 -0.0502 124 PHE C CD2 4391 C CE1 . PHE C 124 ? 0.2387 0.4044 0.2369 -0.0626 0.0260 -0.0675 124 PHE C CE1 4392 C CE2 . PHE C 124 ? 0.2398 0.4177 0.2305 -0.0504 0.0220 -0.0515 124 PHE C CE2 4393 C CZ . PHE C 124 ? 0.2395 0.4269 0.2356 -0.0531 0.0227 -0.0560 124 PHE C CZ 4394 N N . VAL C 125 ? 0.1445 0.1661 0.0846 0.0135 0.0016 -0.0194 125 VAL C N 4395 C CA . VAL C 125 ? 0.1414 0.1711 0.0838 0.0129 0.0055 -0.0028 125 VAL C CA 4396 C C . VAL C 125 ? 0.1497 0.1738 0.0843 -0.0012 0.0058 -0.0143 125 VAL C C 4397 O O . VAL C 125 ? 0.1594 0.1845 0.0903 -0.0090 0.0027 -0.0238 125 VAL C O 4398 C CB . VAL C 125 ? 0.1485 0.1861 0.0903 -0.0078 0.0065 0.0207 125 VAL C CB 4399 C CG1 . VAL C 125 ? 0.1474 0.2009 0.0948 -0.0177 0.0048 0.0225 125 VAL C CG1 4400 C CG2 . VAL C 125 ? 0.1573 0.2220 0.0971 -0.0132 0.0097 0.0095 125 VAL C CG2 4401 N N . GLU C 126 ? 0.1644 0.1915 0.0723 0.0005 0.0038 -0.0208 126 GLU C N 4402 C CA . GLU C 126 ? 0.1868 0.2360 0.0932 0.0013 0.0166 -0.0320 126 GLU C CA 4403 C C . GLU C 126 ? 0.1745 0.2314 0.1026 -0.0015 0.0081 -0.0208 126 GLU C C 4404 O O . GLU C 126 ? 0.1589 0.2040 0.1138 0.0032 0.0067 -0.0061 126 GLU C O 4405 C CB . GLU C 126 ? 0.2415 0.2918 0.1378 0.0180 0.0252 -0.0151 126 GLU C CB 4406 C CG . GLU C 126 ? 0.2891 0.3512 0.1886 0.0312 0.0312 -0.0168 126 GLU C CG 4407 C CD . GLU C 126 ? 0.3350 0.4313 0.2344 0.0427 0.0343 -0.0379 126 GLU C CD 4408 O OE1 . GLU C 126 ? 0.3596 0.4773 0.2480 0.0549 0.0457 -0.0304 126 GLU C OE1 4409 O OE2 . GLU C 126 ? 0.3414 0.4422 0.2586 0.0505 0.0288 -0.0371 126 GLU C OE2 4410 N N . ALA C 127 ? 0.2008 0.2540 0.1095 -0.0163 0.0216 -0.0503 127 ALA C N 4411 C CA . ALA C 127 ? 0.2133 0.2562 0.1160 -0.0219 0.0138 -0.0546 127 ALA C CA 4412 C C . ALA C 127 ? 0.2083 0.2297 0.0976 -0.0060 -0.0028 -0.0255 127 ALA C C 4413 O O . ALA C 127 ? 0.2120 0.2185 0.0811 -0.0087 -0.0109 -0.0265 127 ALA C O 4414 C CB . ALA C 127 ? 0.2269 0.2910 0.1305 -0.0368 0.0263 -0.0693 127 ALA C CB 4415 N N . GLN C 128 ? 0.1993 0.2211 0.0976 0.0088 -0.0119 -0.0202 128 GLN C N 4416 C CA . GLN C 128 ? 0.1995 0.2326 0.1102 0.0164 -0.0157 -0.0070 128 GLN C CA 4417 C C . GLN C 128 ? 0.1785 0.2117 0.0945 0.0168 -0.0092 -0.0026 128 GLN C C 4418 O O . GLN C 128 ? 0.1682 0.2307 0.0887 0.0199 -0.0175 0.0039 128 GLN C O 4419 C CB . GLN C 128 ? 0.2416 0.2897 0.1412 -0.0002 -0.0394 -0.0028 128 GLN C CB 4420 C CG . GLN C 128 ? 0.2954 0.3325 0.1794 -0.0163 -0.0521 0.0118 128 GLN C CG 4421 C CD . GLN C 128 ? 0.3605 0.3955 0.2520 -0.0350 -0.0379 0.0253 128 GLN C CD 4422 O OE1 . GLN C 128 ? 0.3911 0.4219 0.2828 -0.0286 -0.0328 0.0361 128 GLN C OE1 4423 N NE2 . GLN C 128 ? 0.3875 0.4304 0.2810 -0.0359 -0.0285 0.0205 128 GLN C NE2 4424 N N . PRO C 129 ? 0.1736 0.1887 0.0807 0.0107 0.0033 -0.0069 129 PRO C N 4425 C CA . PRO C 129 ? 0.1555 0.1511 0.0706 0.0204 0.0035 -0.0045 129 PRO C CA 4426 C C . PRO C 129 ? 0.1551 0.1584 0.0768 0.0180 0.0056 -0.0165 129 PRO C C 4427 O O . PRO C 129 ? 0.1723 0.1804 0.0955 0.0107 0.0183 -0.0373 129 PRO C O 4428 C CB . PRO C 129 ? 0.1751 0.1392 0.0825 0.0126 0.0104 0.0009 129 PRO C CB 4429 C CG . PRO C 129 ? 0.1802 0.1657 0.0840 0.0145 -0.0036 0.0098 129 PRO C CG 4430 C CD . PRO C 129 ? 0.1839 0.1949 0.0849 0.0080 0.0009 0.0016 129 PRO C CD 4431 N N . LYS C 130 ? 0.1592 0.1453 0.0722 0.0139 -0.0050 -0.0002 130 LYS C N 4432 C CA . LYS C 130 ? 0.1598 0.1373 0.0583 0.0171 -0.0008 0.0056 130 LYS C CA 4433 C C . LYS C 130 ? 0.1311 0.0834 0.0408 0.0195 0.0106 -0.0062 130 LYS C C 4434 O O . LYS C 130 ? 0.1340 0.0786 0.0585 0.0287 0.0164 0.0015 130 LYS C O 4435 C CB . LYS C 130 ? 0.1898 0.1979 0.0763 0.0134 -0.0092 0.0190 130 LYS C CB 4436 C CG . LYS C 130 ? 0.2373 0.2848 0.1142 0.0171 -0.0098 0.0256 130 LYS C CG 4437 C CD . LYS C 130 ? 0.2868 0.3696 0.1522 0.0079 0.0010 0.0165 130 LYS C CD 4438 C CE . LYS C 130 ? 0.3225 0.4180 0.1758 0.0030 0.0069 0.0007 130 LYS C CE 4439 N NZ . LYS C 130 ? 0.3465 0.4466 0.2029 0.0012 0.0179 -0.0073 130 LYS C NZ 4440 N N . ILE C 131 ? 0.1231 0.0736 0.0415 0.0185 0.0064 -0.0062 131 ILE C N 4441 C CA . ILE C 131 ? 0.1175 0.0874 0.0456 0.0203 0.0016 -0.0197 131 ILE C CA 4442 C C . ILE C 131 ? 0.1075 0.0820 0.0462 0.0183 0.0172 -0.0191 131 ILE C C 4443 O O . ILE C 131 ? 0.1183 0.1099 0.0736 0.0177 0.0170 -0.0353 131 ILE C O 4444 C CB . ILE C 131 ? 0.1259 0.1059 0.0581 0.0104 0.0097 -0.0094 131 ILE C CB 4445 C CG1 . ILE C 131 ? 0.1403 0.1104 0.0758 -0.0009 -0.0059 -0.0144 131 ILE C CG1 4446 C CG2 . ILE C 131 ? 0.1155 0.1039 0.0619 0.0083 0.0242 -0.0018 131 ILE C CG2 4447 C CD1 . ILE C 131 ? 0.1486 0.1086 0.1040 0.0017 -0.0045 -0.0014 131 ILE C CD1 4448 N N . VAL C 132 ? 0.1098 0.0842 0.0441 0.0158 0.0212 -0.0085 132 VAL C N 4449 C CA . VAL C 132 ? 0.1145 0.0678 0.0454 0.0183 0.0118 0.0040 132 VAL C CA 4450 C C . VAL C 132 ? 0.1115 0.0704 0.0404 0.0153 0.0182 -0.0101 132 VAL C C 4451 O O . VAL C 132 ? 0.1112 0.0849 0.0548 0.0311 0.0161 -0.0046 132 VAL C O 4452 C CB . VAL C 132 ? 0.1225 0.0865 0.0635 0.0043 0.0076 -0.0008 132 VAL C CB 4453 C CG1 . VAL C 132 ? 0.1376 0.0854 0.0874 -0.0060 0.0146 0.0108 132 VAL C CG1 4454 C CG2 . VAL C 132 ? 0.1214 0.0886 0.0610 0.0091 0.0034 0.0061 132 VAL C CG2 4455 N N . LEU C 133 ? 0.1051 0.0732 0.0392 0.0084 0.0114 -0.0110 133 LEU C N 4456 C CA . LEU C 133 ? 0.0999 0.0551 0.0479 -0.0048 0.0026 0.0032 133 LEU C CA 4457 C C . LEU C 133 ? 0.1067 0.0599 0.0516 -0.0091 0.0082 0.0111 133 LEU C C 4458 O O . LEU C 133 ? 0.1047 0.0656 0.0571 -0.0019 0.0157 0.0017 133 LEU C O 4459 C CB . LEU C 133 ? 0.1033 0.0784 0.0554 0.0036 0.0175 0.0103 133 LEU C CB 4460 C CG . LEU C 133 ? 0.1034 0.0985 0.0743 0.0111 0.0277 0.0008 133 LEU C CG 4461 C CD1 . LEU C 133 ? 0.1249 0.0938 0.0802 0.0323 0.0272 0.0004 133 LEU C CD1 4462 C CD2 . LEU C 133 ? 0.1176 0.1292 0.0971 -0.0130 0.0479 -0.0105 133 LEU C CD2 4463 N N . GLY C 134 ? 0.1017 0.0729 0.0602 0.0007 -0.0015 -0.0102 134 GLY C N 4464 C CA . GLY C 134 ? 0.1172 0.0741 0.0655 0.0015 0.0071 -0.0047 134 GLY C CA 4465 C C . GLY C 134 ? 0.1171 0.0656 0.0527 -0.0068 -0.0017 -0.0015 134 GLY C C 4466 O O . GLY C 134 ? 0.1253 0.0814 0.0455 0.0051 -0.0107 -0.0002 134 GLY C O 4467 N N . GLN C 135 ? 0.1214 0.0596 0.0645 -0.0117 -0.0140 0.0061 135 GLN C N 4468 C CA . GLN C 135 ? 0.1241 0.0610 0.0786 0.0046 -0.0019 -0.0046 135 GLN C CA 4469 C C . GLN C 135 ? 0.1194 0.0403 0.0819 0.0028 0.0043 -0.0005 135 GLN C C 4470 O O . GLN C 135 ? 0.1390 0.0595 0.0959 -0.0025 0.0055 0.0169 135 GLN C O 4471 C CB . GLN C 135 ? 0.1419 0.0735 0.0793 0.0287 -0.0041 0.0082 135 GLN C CB 4472 C CG . GLN C 135 ? 0.1398 0.0795 0.0878 0.0098 0.0062 -0.0101 135 GLN C CG 4473 C CD . GLN C 135 ? 0.1233 0.0833 0.0920 0.0045 0.0176 -0.0081 135 GLN C CD 4474 O OE1 . GLN C 135 ? 0.1283 0.0948 0.1100 0.0067 0.0154 -0.0071 135 GLN C OE1 4475 N NE2 . GLN C 135 ? 0.1112 0.0862 0.0903 0.0135 0.0211 0.0065 135 GLN C NE2 4476 N N . GLU C 136 ? 0.1174 0.0509 0.0839 0.0008 0.0024 0.0084 136 GLU C N 4477 C CA . GLU C 136 ? 0.1219 0.0780 0.0754 0.0085 0.0044 0.0130 136 GLU C CA 4478 C C . GLU C 136 ? 0.1246 0.0633 0.0713 0.0010 0.0110 0.0332 136 GLU C C 4479 O O . GLU C 136 ? 0.1454 0.0632 0.0782 -0.0169 0.0140 0.0262 136 GLU C O 4480 C CB . GLU C 136 ? 0.1287 0.0779 0.0758 0.0139 0.0172 0.0130 136 GLU C CB 4481 C CG . GLU C 136 ? 0.1397 0.0925 0.0845 0.0091 0.0152 0.0121 136 GLU C CG 4482 C CD . GLU C 136 ? 0.1473 0.0875 0.0903 0.0058 0.0120 0.0075 136 GLU C CD 4483 O OE1 . GLU C 136 ? 0.1505 0.0821 0.1028 0.0194 -0.0042 -0.0015 136 GLU C OE1 4484 O OE2 . GLU C 136 ? 0.1468 0.0818 0.0835 0.0302 0.0091 0.0120 136 GLU C OE2 4485 N N . GLN C 137 ? 0.1303 0.0719 0.0665 0.0137 0.0038 0.0333 137 GLN C N 4486 C CA . GLN C 137 ? 0.1375 0.0575 0.0823 0.0265 0.0052 0.0220 137 GLN C CA 4487 C C . GLN C 137 ? 0.1420 0.0733 0.0981 0.0329 0.0156 0.0207 137 GLN C C 4488 O O . GLN C 137 ? 0.1402 0.0846 0.1133 0.0154 0.0168 0.0288 137 GLN C O 4489 C CB . GLN C 137 ? 0.1397 0.0429 0.0789 0.0229 -0.0047 -0.0023 137 GLN C CB 4490 C CG . GLN C 137 ? 0.1740 0.0591 0.0787 0.0301 0.0060 0.0124 137 GLN C CG 4491 C CD . GLN C 137 ? 0.1756 0.0691 0.0636 0.0128 0.0021 0.0119 137 GLN C CD 4492 O OE1 . GLN C 137 ? 0.2020 0.1128 0.0646 0.0074 -0.0168 0.0138 137 GLN C OE1 4493 N NE2 . GLN C 137 ? 0.1463 0.0836 0.0438 0.0199 0.0116 0.0124 137 GLN C NE2 4494 N N . ASP C 138 ? 0.1465 0.0542 0.1073 0.0295 0.0107 0.0199 138 ASP C N 4495 C CA . ASP C 138 ? 0.1604 0.0722 0.1242 0.0406 0.0001 0.0213 138 ASP C CA 4496 C C . ASP C 138 ? 0.1817 0.0997 0.1346 0.0637 0.0009 0.0257 138 ASP C C 4497 O O . ASP C 138 ? 0.2158 0.1335 0.1615 0.0847 -0.0067 0.0341 138 ASP C O 4498 C CB . ASP C 138 ? 0.1455 0.0510 0.1459 0.0325 0.0038 0.0041 138 ASP C CB 4499 C CG . ASP C 138 ? 0.1516 0.0650 0.1501 0.0060 0.0077 0.0093 138 ASP C CG 4500 O OD1 . ASP C 138 ? 0.1464 0.0892 0.1280 0.0126 0.0114 0.0162 138 ASP C OD1 4501 O OD2 . ASP C 138 ? 0.1713 0.0996 0.1549 0.0103 -0.0112 0.0018 138 ASP C OD2 4502 N N . SER C 139 ? 0.1844 0.0919 0.1137 0.0281 -0.0023 0.0214 139 SER C N 4503 C CA . SER C 139 ? 0.1936 0.1137 0.1021 0.0269 0.0019 0.0299 139 SER C CA 4504 C C . SER C 139 ? 0.2036 0.1072 0.0900 0.0358 0.0097 0.0290 139 SER C C 4505 O O . SER C 139 ? 0.2064 0.1083 0.0971 0.0436 0.0168 0.0316 139 SER C O 4506 C CB . SER C 139 ? 0.2018 0.1608 0.1104 0.0231 -0.0046 0.0284 139 SER C CB 4507 O OG . SER C 139 ? 0.2024 0.1951 0.1136 0.0185 -0.0008 0.0468 139 SER C OG 4508 N N . TYR C 140 ? 0.2162 0.1168 0.0831 0.0278 0.0271 0.0320 140 TYR C N 4509 C CA . TYR C 140 ? 0.2184 0.1437 0.0855 0.0302 0.0202 0.0373 140 TYR C CA 4510 C C . TYR C 140 ? 0.2181 0.1577 0.0927 0.0531 0.0333 0.0331 140 TYR C C 4511 O O . TYR C 140 ? 0.2422 0.2090 0.1155 0.0585 0.0159 0.0362 140 TYR C O 4512 C CB . TYR C 140 ? 0.2151 0.1566 0.0821 0.0227 0.0008 0.0484 140 TYR C CB 4513 C CG . TYR C 140 ? 0.2304 0.1629 0.0759 0.0222 -0.0053 0.0267 140 TYR C CG 4514 C CD1 . TYR C 140 ? 0.2321 0.1637 0.0739 0.0199 0.0016 0.0074 140 TYR C CD1 4515 C CD2 . TYR C 140 ? 0.2480 0.1774 0.0857 0.0163 -0.0110 0.0333 140 TYR C CD2 4516 C CE1 . TYR C 140 ? 0.2315 0.1567 0.0671 0.0311 0.0030 -0.0012 140 TYR C CE1 4517 C CE2 . TYR C 140 ? 0.2554 0.1742 0.0809 0.0169 -0.0176 0.0253 140 TYR C CE2 4518 C CZ . TYR C 140 ? 0.2447 0.1632 0.0741 0.0034 0.0001 -0.0086 140 TYR C CZ 4519 O OH . TYR C 140 ? 0.2581 0.1951 0.0906 -0.0168 0.0017 -0.0209 140 TYR C OH 4520 N N . GLY C 141 ? 0.2045 0.1491 0.0908 0.0645 0.0414 0.0323 141 GLY C N 4521 C CA . GLY C 141 ? 0.1957 0.1445 0.1080 0.0708 0.0349 0.0395 141 GLY C CA 4522 C C . GLY C 141 ? 0.1972 0.1935 0.1297 0.0598 0.0188 0.0222 141 GLY C C 4523 O O . GLY C 141 ? 0.2003 0.2352 0.1647 0.0570 -0.0073 0.0036 141 GLY C O 4524 N N . GLY C 142 ? 0.1898 0.1865 0.1149 0.0292 0.0131 0.0444 142 GLY C N 4525 C CA . GLY C 142 ? 0.1870 0.1751 0.1038 0.0168 0.0099 0.0534 142 GLY C CA 4526 C C . GLY C 142 ? 0.1848 0.1583 0.1054 0.0255 0.0149 0.0473 142 GLY C C 4527 O O . GLY C 142 ? 0.1904 0.1613 0.0987 0.0295 0.0242 0.0430 142 GLY C O 4528 N N . LYS C 143 ? 0.1955 0.1795 0.1174 0.0204 0.0192 0.0519 143 LYS C N 4529 C CA . LYS C 143 ? 0.2175 0.1790 0.1442 0.0200 0.0215 0.0392 143 LYS C CA 4530 C C . LYS C 143 ? 0.2068 0.1369 0.1333 0.0021 0.0277 0.0280 143 LYS C C 4531 O O . LYS C 143 ? 0.2167 0.1331 0.1378 -0.0001 0.0340 0.0210 143 LYS C O 4532 C CB . LYS C 143 ? 0.2540 0.2316 0.1778 0.0221 0.0128 0.0273 143 LYS C CB 4533 C CG . LYS C 143 ? 0.3044 0.3137 0.2316 0.0191 0.0116 0.0226 143 LYS C CG 4534 C CD . LYS C 143 ? 0.3498 0.3794 0.2737 0.0025 0.0148 0.0182 143 LYS C CD 4535 C CE . LYS C 143 ? 0.3796 0.4362 0.3012 -0.0081 0.0099 0.0194 143 LYS C CE 4536 N NZ . LYS C 143 ? 0.3894 0.4635 0.3198 -0.0141 0.0097 0.0219 143 LYS C NZ 4537 N N . PHE C 144 ? 0.1856 0.0928 0.1281 0.0027 0.0336 0.0452 144 PHE C N 4538 C CA . PHE C 144 ? 0.1774 0.1039 0.1370 0.0129 0.0272 0.0539 144 PHE C CA 4539 C C . PHE C 144 ? 0.1802 0.0978 0.1505 0.0152 0.0019 0.0510 144 PHE C C 4540 O O . PHE C 144 ? 0.2078 0.1213 0.1613 0.0057 -0.0058 0.0438 144 PHE C O 4541 C CB . PHE C 144 ? 0.1642 0.0937 0.1259 0.0142 0.0445 0.0513 144 PHE C CB 4542 C CG . PHE C 144 ? 0.1651 0.0975 0.1294 0.0139 0.0379 0.0365 144 PHE C CG 4543 C CD1 . PHE C 144 ? 0.1782 0.1196 0.1467 0.0105 0.0194 0.0166 144 PHE C CD1 4544 C CD2 . PHE C 144 ? 0.1715 0.1121 0.1367 0.0115 0.0366 0.0191 144 PHE C CD2 4545 C CE1 . PHE C 144 ? 0.1699 0.1246 0.1444 -0.0060 0.0097 -0.0096 144 PHE C CE1 4546 C CE2 . PHE C 144 ? 0.1738 0.1319 0.1427 0.0168 0.0271 0.0124 144 PHE C CE2 4547 C CZ . PHE C 144 ? 0.1831 0.1329 0.1508 -0.0039 0.0116 -0.0103 144 PHE C CZ 4548 N N . ASP C 145 ? 0.1776 0.0866 0.1499 0.0120 0.0022 0.0437 145 ASP C N 4549 C CA . ASP C 145 ? 0.1775 0.1016 0.1631 0.0020 -0.0045 0.0453 145 ASP C CA 4550 C C . ASP C 145 ? 0.1679 0.0970 0.1639 -0.0194 -0.0048 0.0412 145 ASP C C 4551 O O . ASP C 145 ? 0.1633 0.0792 0.1509 -0.0345 0.0014 0.0259 145 ASP C O 4552 C CB . ASP C 145 ? 0.1981 0.1195 0.1798 0.0081 -0.0083 0.0132 145 ASP C CB 4553 C CG . ASP C 145 ? 0.2366 0.1361 0.2202 0.0228 -0.0115 0.0137 145 ASP C CG 4554 O OD1 . ASP C 145 ? 0.2527 0.1409 0.2414 0.0367 -0.0308 0.0149 145 ASP C OD1 4555 O OD2 . ASP C 145 ? 0.2601 0.1595 0.2290 0.0232 0.0011 -0.0014 145 ASP C OD2 4556 N N . ARG C 146 ? 0.1693 0.1120 0.1807 -0.0325 -0.0063 0.0383 146 ARG C N 4557 C CA . ARG C 146 ? 0.1720 0.1653 0.2010 -0.0427 -0.0042 0.0339 146 ARG C CA 4558 C C . ARG C 146 ? 0.1776 0.1209 0.1749 -0.0239 -0.0162 0.0183 146 ARG C C 4559 O O . ARG C 146 ? 0.1743 0.0954 0.1563 -0.0189 -0.0069 0.0087 146 ARG C O 4560 C CB . ARG C 146 ? 0.1847 0.2428 0.2522 -0.0687 -0.0138 0.0428 146 ARG C CB 4561 C CG . ARG C 146 ? 0.2040 0.2979 0.2992 -0.0946 -0.0171 0.0259 146 ARG C CG 4562 C CD . ARG C 146 ? 0.2330 0.3657 0.3418 -0.1011 -0.0157 0.0076 146 ARG C CD 4563 N NE . ARG C 146 ? 0.2918 0.4273 0.3848 -0.0787 0.0062 0.0097 146 ARG C NE 4564 C CZ . ARG C 146 ? 0.3195 0.4534 0.4075 -0.0676 0.0123 0.0062 146 ARG C CZ 4565 N NH1 . ARG C 146 ? 0.3374 0.4647 0.4155 -0.0561 0.0197 0.0110 146 ARG C NH1 4566 N NH2 . ARG C 146 ? 0.3250 0.4618 0.4194 -0.0839 0.0074 -0.0031 146 ARG C NH2 4567 N N . SER C 147 ? 0.1791 0.1002 0.1738 -0.0200 -0.0171 0.0019 147 SER C N 4568 C CA . SER C 147 ? 0.1808 0.0839 0.1659 -0.0041 -0.0215 -0.0206 147 SER C CA 4569 C C . SER C 147 ? 0.1746 0.0609 0.1358 0.0047 -0.0116 -0.0212 147 SER C C 4570 O O . SER C 147 ? 0.1895 0.0801 0.1416 -0.0039 -0.0054 -0.0289 147 SER C O 4571 C CB . SER C 147 ? 0.2124 0.1270 0.2167 -0.0048 -0.0177 -0.0267 147 SER C CB 4572 O OG . SER C 147 ? 0.2545 0.1423 0.2566 0.0057 -0.0102 -0.0282 147 SER C OG 4573 N N . GLN C 148 ? 0.1577 0.0442 0.1134 0.0112 -0.0053 -0.0116 148 GLN C N 4574 C CA . GLN C 148 ? 0.1470 0.0851 0.1005 0.0138 -0.0052 0.0022 148 GLN C CA 4575 C C . GLN C 148 ? 0.1284 0.0593 0.0720 -0.0235 -0.0011 0.0020 148 GLN C C 4576 O O . GLN C 148 ? 0.1322 0.0881 0.0692 -0.0172 0.0047 0.0113 148 GLN C O 4577 C CB . GLN C 148 ? 0.1509 0.0972 0.1109 0.0218 -0.0086 -0.0114 148 GLN C CB 4578 C CG . GLN C 148 ? 0.1547 0.0955 0.1363 0.0380 -0.0126 -0.0254 148 GLN C CG 4579 C CD . GLN C 148 ? 0.1531 0.1428 0.1486 0.0428 -0.0148 -0.0383 148 GLN C CD 4580 O OE1 . GLN C 148 ? 0.1484 0.0852 0.1625 0.0085 -0.0003 -0.0227 148 GLN C OE1 4581 N NE2 . GLN C 148 ? 0.1845 0.2512 0.1656 0.0787 -0.0306 -0.0491 148 GLN C NE2 4582 N N . SER C 149 ? 0.1240 0.0577 0.0722 0.0010 -0.0086 0.0024 149 SER C N 4583 C CA . SER C 149 ? 0.1309 0.0881 0.0642 -0.0142 -0.0005 -0.0010 149 SER C CA 4584 C C . SER C 149 ? 0.1256 0.0615 0.0598 0.0007 -0.0029 -0.0031 149 SER C C 4585 O O . SER C 149 ? 0.1492 0.0592 0.0595 -0.0110 0.0013 -0.0107 149 SER C O 4586 C CB . SER C 149 ? 0.1386 0.1123 0.0696 -0.0223 0.0101 0.0068 149 SER C CB 4587 O OG . SER C 149 ? 0.1611 0.1204 0.0776 -0.0137 0.0254 0.0044 149 SER C OG 4588 N N . PHE C 150 ? 0.1308 0.0366 0.0619 -0.0079 0.0046 0.0025 150 PHE C N 4589 C CA . PHE C 150 ? 0.1120 0.0439 0.0452 0.0071 -0.0004 -0.0146 150 PHE C CA 4590 C C . PHE C 150 ? 0.1167 0.0745 0.0538 0.0037 0.0075 -0.0309 150 PHE C C 4591 O O . PHE C 150 ? 0.1428 0.1134 0.0666 0.0351 0.0108 -0.0085 150 PHE C O 4592 C CB . PHE C 150 ? 0.1054 0.0472 0.0517 0.0144 -0.0012 -0.0087 150 PHE C CB 4593 C CG . PHE C 150 ? 0.0965 0.0757 0.0495 0.0131 -0.0010 -0.0084 150 PHE C CG 4594 C CD1 . PHE C 150 ? 0.1121 0.0966 0.0664 0.0214 0.0037 0.0032 150 PHE C CD1 4595 C CD2 . PHE C 150 ? 0.0886 0.0824 0.0518 -0.0054 -0.0048 -0.0186 150 PHE C CD2 4596 C CE1 . PHE C 150 ? 0.1033 0.0999 0.0635 0.0290 0.0051 0.0101 150 PHE C CE1 4597 C CE2 . PHE C 150 ? 0.1002 0.1164 0.0578 -0.0060 0.0178 -0.0138 150 PHE C CE2 4598 C CZ . PHE C 150 ? 0.1013 0.1053 0.0625 0.0113 0.0128 0.0003 150 PHE C CZ 4599 N N . VAL C 151 ? 0.0973 0.0757 0.0413 0.0032 0.0148 -0.0229 151 VAL C N 4600 C CA . VAL C 151 ? 0.1001 0.0672 0.0519 -0.0019 0.0197 -0.0263 151 VAL C CA 4601 C C . VAL C 151 ? 0.1006 0.0570 0.0381 -0.0080 0.0105 -0.0172 151 VAL C C 4602 O O . VAL C 151 ? 0.1252 0.0709 0.0409 -0.0085 0.0148 -0.0144 151 VAL C O 4603 C CB . VAL C 151 ? 0.1102 0.0894 0.0703 -0.0144 0.0191 -0.0236 151 VAL C CB 4604 C CG1 . VAL C 151 ? 0.1089 0.1091 0.0672 -0.0393 0.0124 -0.0183 151 VAL C CG1 4605 C CG2 . VAL C 151 ? 0.1291 0.1112 0.0946 -0.0158 0.0314 -0.0255 151 VAL C CG2 4606 N N . GLY C 152 ? 0.1060 0.0793 0.0317 -0.0242 -0.0013 -0.0026 152 GLY C N 4607 C CA . GLY C 152 ? 0.1016 0.0788 0.0352 -0.0204 -0.0172 0.0001 152 GLY C CA 4608 C C . GLY C 152 ? 0.0938 0.0551 0.0257 -0.0115 -0.0003 -0.0007 152 GLY C C 4609 O O . GLY C 152 ? 0.1216 0.0693 0.0330 -0.0069 0.0049 -0.0050 152 GLY C O 4610 N N . GLU C 153 ? 0.0850 0.0568 0.0299 -0.0222 0.0129 -0.0083 153 GLU C N 4611 C CA . GLU C 153 ? 0.0756 0.0555 0.0306 -0.0220 0.0156 -0.0104 153 GLU C CA 4612 C C . GLU C 153 ? 0.0675 0.0674 0.0254 -0.0056 0.0072 -0.0137 153 GLU C C 4613 O O . GLU C 153 ? 0.0768 0.0783 0.0262 -0.0101 0.0052 -0.0107 153 GLU C O 4614 C CB . GLU C 153 ? 0.0705 0.0801 0.0514 -0.0026 0.0085 -0.0218 153 GLU C CB 4615 C CG . GLU C 153 ? 0.0906 0.1016 0.0889 0.0071 0.0106 -0.0008 153 GLU C CG 4616 C CD . GLU C 153 ? 0.1138 0.0760 0.1073 -0.0075 -0.0050 -0.0112 153 GLU C CD 4617 O OE1 . GLU C 153 ? 0.1321 0.0765 0.1087 -0.0024 -0.0054 -0.0145 153 GLU C OE1 4618 O OE2 . GLU C 153 ? 0.1257 0.1112 0.1221 -0.0147 -0.0135 -0.0209 153 GLU C OE2 4619 N N . ILE C 154 ? 0.0642 0.0735 0.0281 -0.0140 -0.0033 -0.0142 154 ILE C N 4620 C CA . ILE C 154 ? 0.0755 0.0663 0.0460 -0.0234 0.0037 -0.0093 154 ILE C CA 4621 C C . ILE C 154 ? 0.0759 0.0781 0.0526 -0.0261 0.0057 -0.0302 154 ILE C C 4622 O O . ILE C 154 ? 0.0852 0.1087 0.0614 -0.0150 0.0091 -0.0426 154 ILE C O 4623 C CB . ILE C 154 ? 0.1106 0.1023 0.0978 0.0090 0.0056 0.0140 154 ILE C CB 4624 C CG1 . ILE C 154 ? 0.1452 0.1010 0.1300 0.0152 -0.0008 0.0222 154 ILE C CG1 4625 C CG2 . ILE C 154 ? 0.1285 0.1245 0.1092 0.0086 0.0055 0.0306 154 ILE C CG2 4626 C CD1 . ILE C 154 ? 0.1618 0.1260 0.1510 0.0230 0.0017 0.0205 154 ILE C CD1 4627 N N . GLY C 155 ? 0.0711 0.0722 0.0632 -0.0209 0.0057 -0.0353 155 GLY C N 4628 C CA . GLY C 155 ? 0.0991 0.0926 0.0899 -0.0318 0.0140 -0.0426 155 GLY C CA 4629 C C . GLY C 155 ? 0.0802 0.0700 0.0637 -0.0140 0.0102 -0.0369 155 GLY C C 4630 O O . GLY C 155 ? 0.0908 0.0916 0.0494 0.0014 0.0158 -0.0315 155 GLY C O 4631 N N . ASP C 156 ? 0.0807 0.0646 0.0579 -0.0074 0.0052 -0.0346 156 ASP C N 4632 C CA . ASP C 156 ? 0.0741 0.0752 0.0586 0.0040 0.0070 -0.0180 156 ASP C CA 4633 C C . ASP C 156 ? 0.0703 0.0466 0.0486 -0.0082 0.0142 -0.0209 156 ASP C C 4634 O O . ASP C 156 ? 0.0874 0.0751 0.0437 -0.0023 0.0152 -0.0264 156 ASP C O 4635 C CB . ASP C 156 ? 0.1084 0.0900 0.0853 0.0087 0.0017 -0.0113 156 ASP C CB 4636 C CG . ASP C 156 ? 0.1623 0.1713 0.1118 0.0297 -0.0026 -0.0127 156 ASP C CG 4637 O OD1 . ASP C 156 ? 0.2247 0.1940 0.1459 0.0599 -0.0006 -0.0347 156 ASP C OD1 4638 O OD2 . ASP C 156 ? 0.1646 0.2100 0.1228 0.0334 -0.0025 0.0027 156 ASP C OD2 4639 N N . LEU C 157 ? 0.0682 0.0576 0.0550 0.0029 -0.0036 -0.0188 157 LEU C N 4640 C CA . LEU C 157 ? 0.0681 0.0680 0.0512 -0.0150 0.0026 -0.0230 157 LEU C CA 4641 C C . LEU C 157 ? 0.0722 0.0598 0.0477 -0.0058 0.0029 -0.0299 157 LEU C C 4642 O O . LEU C 157 ? 0.0833 0.0661 0.0538 -0.0053 0.0067 -0.0333 157 LEU C O 4643 C CB . LEU C 157 ? 0.0935 0.0722 0.0477 -0.0042 -0.0022 -0.0319 157 LEU C CB 4644 C CG . LEU C 157 ? 0.1178 0.0701 0.0506 -0.0072 -0.0037 -0.0180 157 LEU C CG 4645 C CD1 . LEU C 157 ? 0.1352 0.1073 0.0781 -0.0139 0.0041 -0.0359 157 LEU C CD1 4646 C CD2 . LEU C 157 ? 0.1371 0.1050 0.0519 -0.0142 0.0177 -0.0036 157 LEU C CD2 4647 N N . TYR C 158 ? 0.0670 0.0627 0.0443 -0.0069 0.0038 -0.0289 158 TYR C N 4648 C CA . TYR C 158 ? 0.0794 0.0664 0.0496 -0.0116 0.0083 -0.0295 158 TYR C CA 4649 C C . TYR C 158 ? 0.0725 0.0680 0.0456 -0.0014 0.0098 -0.0295 158 TYR C C 4650 O O . TYR C 158 ? 0.0758 0.0805 0.0541 -0.0023 0.0031 -0.0261 158 TYR C O 4651 C CB . TYR C 158 ? 0.1016 0.0787 0.0691 -0.0204 0.0105 -0.0234 158 TYR C CB 4652 C CG . TYR C 158 ? 0.1007 0.0635 0.0725 -0.0179 0.0137 -0.0287 158 TYR C CG 4653 C CD1 . TYR C 158 ? 0.1071 0.0593 0.0790 -0.0058 0.0096 -0.0047 158 TYR C CD1 4654 C CD2 . TYR C 158 ? 0.1138 0.0764 0.0765 -0.0131 0.0023 -0.0398 158 TYR C CD2 4655 C CE1 . TYR C 158 ? 0.1086 0.0635 0.0947 -0.0002 0.0163 0.0061 158 TYR C CE1 4656 C CE2 . TYR C 158 ? 0.1266 0.0835 0.0949 -0.0057 0.0166 -0.0222 158 TYR C CE2 4657 C CZ . TYR C 158 ? 0.1255 0.0678 0.1065 0.0144 0.0318 -0.0083 158 TYR C CZ 4658 O OH . TYR C 158 ? 0.1602 0.0904 0.1309 0.0169 0.0458 -0.0160 158 TYR C OH 4659 N N . MET C 159 ? 0.0756 0.0621 0.0411 0.0078 0.0080 -0.0257 159 MET C N 4660 C CA . MET C 159 ? 0.0877 0.0627 0.0507 -0.0019 0.0010 -0.0320 159 MET C CA 4661 C C . MET C 159 ? 0.0851 0.0606 0.0542 0.0016 0.0001 -0.0331 159 MET C C 4662 O O . MET C 159 ? 0.1024 0.0878 0.0609 -0.0077 -0.0061 -0.0402 159 MET C O 4663 C CB . MET C 159 ? 0.1085 0.0680 0.0592 0.0070 -0.0019 -0.0339 159 MET C CB 4664 C CG . MET C 159 ? 0.1379 0.0655 0.0853 -0.0005 0.0077 -0.0345 159 MET C CG 4665 S SD . MET C 159 ? 0.1581 0.0884 0.1285 0.0058 0.0171 -0.0092 159 MET C SD 4666 C CE . MET C 159 ? 0.1740 0.1402 0.1382 0.0316 0.0344 -0.0135 159 MET C CE 4667 N N . TRP C 160 ? 0.0759 0.0743 0.0608 -0.0055 0.0109 -0.0377 160 TRP C N 4668 C CA . TRP C 160 ? 0.0834 0.0818 0.0626 -0.0075 0.0133 -0.0394 160 TRP C CA 4669 C C . TRP C 160 ? 0.0910 0.1037 0.0687 -0.0010 0.0037 -0.0473 160 TRP C C 4670 O O . TRP C 160 ? 0.1026 0.1263 0.0686 0.0122 -0.0121 -0.0481 160 TRP C O 4671 C CB . TRP C 160 ? 0.0802 0.0827 0.0666 -0.0229 0.0286 -0.0363 160 TRP C CB 4672 C CG . TRP C 160 ? 0.1020 0.0782 0.0650 -0.0164 0.0328 -0.0306 160 TRP C CG 4673 C CD1 . TRP C 160 ? 0.1178 0.0933 0.0684 -0.0217 0.0323 -0.0353 160 TRP C CD1 4674 C CD2 . TRP C 160 ? 0.0989 0.0687 0.0561 0.0003 0.0218 -0.0280 160 TRP C CD2 4675 N NE1 . TRP C 160 ? 0.1218 0.0627 0.0834 -0.0144 0.0264 -0.0334 160 TRP C NE1 4676 C CE2 . TRP C 160 ? 0.1180 0.0656 0.0566 -0.0139 0.0302 -0.0204 160 TRP C CE2 4677 C CE3 . TRP C 160 ? 0.1059 0.0914 0.0508 -0.0047 0.0111 -0.0338 160 TRP C CE3 4678 C CZ2 . TRP C 160 ? 0.1292 0.0580 0.0456 0.0094 0.0280 -0.0021 160 TRP C CZ2 4679 C CZ3 . TRP C 160 ? 0.1105 0.0716 0.0508 0.0045 0.0057 -0.0296 160 TRP C CZ3 4680 C CH2 . TRP C 160 ? 0.1137 0.0821 0.0580 0.0191 0.0136 -0.0044 160 TRP C CH2 4681 N N . ASP C 161 ? 0.0880 0.1499 0.0779 0.0076 -0.0111 -0.0555 161 ASP C N 4682 C CA . ASP C 161 ? 0.0971 0.1802 0.0931 0.0054 -0.0256 -0.0559 161 ASP C CA 4683 C C . ASP C 161 ? 0.0965 0.1746 0.1061 0.0023 -0.0143 -0.0450 161 ASP C C 4684 O O . ASP C 161 ? 0.0998 0.2285 0.1184 0.0061 -0.0179 -0.0364 161 ASP C O 4685 C CB . ASP C 161 ? 0.1296 0.2385 0.1154 0.0143 -0.0315 -0.0648 161 ASP C CB 4686 C CG . ASP C 161 ? 0.1628 0.2931 0.1446 0.0000 -0.0469 -0.0718 161 ASP C CG 4687 O OD1 . ASP C 161 ? 0.1496 0.2690 0.1602 -0.0016 -0.0367 -0.1004 161 ASP C OD1 4688 O OD2 . ASP C 161 ? 0.2075 0.3382 0.1710 0.0015 -0.0444 -0.0522 161 ASP C OD2 4689 N N . SER C 162 ? 0.0854 0.1204 0.0993 0.0172 0.0104 -0.0349 162 SER C N 4690 C CA . SER C 162 ? 0.0940 0.1141 0.1202 0.0040 0.0084 -0.0419 162 SER C CA 4691 C C . SER C 162 ? 0.0941 0.1146 0.1087 -0.0060 0.0200 -0.0341 162 SER C C 4692 O O . SER C 162 ? 0.1120 0.1174 0.0934 -0.0117 0.0149 -0.0375 162 SER C O 4693 C CB . SER C 162 ? 0.1213 0.1285 0.1642 -0.0134 -0.0006 -0.0405 162 SER C CB 4694 O OG . SER C 162 ? 0.1609 0.1179 0.1961 -0.0270 0.0008 -0.0356 162 SER C OG 4695 N N . VAL C 163 ? 0.0977 0.1353 0.1197 0.0042 0.0226 -0.0358 163 VAL C N 4696 C CA . VAL C 163 ? 0.1018 0.1246 0.1328 -0.0053 0.0214 -0.0255 163 VAL C CA 4697 C C . VAL C 163 ? 0.1090 0.1044 0.1496 -0.0163 0.0361 -0.0112 163 VAL C C 4698 O O . VAL C 163 ? 0.1128 0.1213 0.1812 -0.0192 0.0217 0.0065 163 VAL C O 4699 C CB . VAL C 163 ? 0.1216 0.1131 0.1312 0.0213 0.0195 -0.0274 163 VAL C CB 4700 C CG1 . VAL C 163 ? 0.1228 0.1109 0.1321 0.0279 0.0272 -0.0095 163 VAL C CG1 4701 C CG2 . VAL C 163 ? 0.1548 0.1303 0.1411 0.0529 0.0278 -0.0301 163 VAL C CG2 4702 N N . LEU C 164 ? 0.1245 0.0744 0.1435 -0.0128 0.0386 -0.0091 164 LEU C N 4703 C CA . LEU C 164 ? 0.1395 0.0953 0.1538 -0.0096 0.0590 0.0014 164 LEU C CA 4704 C C . LEU C 164 ? 0.1418 0.1080 0.1486 -0.0057 0.0670 0.0114 164 LEU C C 4705 O O . LEU C 164 ? 0.1556 0.0995 0.1300 -0.0138 0.0533 0.0111 164 LEU C O 4706 C CB . LEU C 164 ? 0.1527 0.1028 0.1692 -0.0181 0.0712 -0.0126 164 LEU C CB 4707 C CG . LEU C 164 ? 0.1679 0.1129 0.1797 -0.0059 0.0803 -0.0131 164 LEU C CG 4708 C CD1 . LEU C 164 ? 0.1723 0.1503 0.1865 0.0084 0.0907 -0.0035 164 LEU C CD1 4709 C CD2 . LEU C 164 ? 0.1863 0.1482 0.1946 -0.0206 0.0810 -0.0142 164 LEU C CD2 4710 N N . PRO C 165 ? 0.1416 0.1301 0.1556 -0.0188 0.0632 0.0063 165 PRO C N 4711 C CA . PRO C 165 ? 0.1428 0.1234 0.1507 -0.0167 0.0728 -0.0015 165 PRO C CA 4712 C C . PRO C 165 ? 0.1372 0.0884 0.1476 -0.0116 0.0833 -0.0171 165 PRO C C 4713 O O . PRO C 165 ? 0.1229 0.0673 0.1470 -0.0088 0.0755 -0.0193 165 PRO C O 4714 C CB . PRO C 165 ? 0.1427 0.1528 0.1578 -0.0340 0.0623 0.0103 165 PRO C CB 4715 C CG . PRO C 165 ? 0.1510 0.1391 0.1678 -0.0405 0.0563 0.0109 165 PRO C CG 4716 C CD . PRO C 165 ? 0.1425 0.1215 0.1631 -0.0445 0.0512 0.0139 165 PRO C CD 4717 N N . PRO C 166 ? 0.1532 0.0951 0.1449 -0.0270 0.0808 -0.0254 166 PRO C N 4718 C CA . PRO C 166 ? 0.1620 0.0811 0.1274 -0.0320 0.0764 -0.0272 166 PRO C CA 4719 C C . PRO C 166 ? 0.1578 0.0834 0.1153 -0.0311 0.0690 -0.0257 166 PRO C C 4720 O O . PRO C 166 ? 0.1634 0.0920 0.1114 -0.0363 0.0655 -0.0281 166 PRO C O 4721 C CB . PRO C 166 ? 0.1587 0.0939 0.1258 -0.0262 0.0772 -0.0330 166 PRO C CB 4722 C CG . PRO C 166 ? 0.1670 0.1227 0.1353 -0.0317 0.0783 -0.0467 166 PRO C CG 4723 C CD . PRO C 166 ? 0.1615 0.1097 0.1335 -0.0167 0.0786 -0.0360 166 PRO C CD 4724 N N . GLU C 167 ? 0.1487 0.0698 0.1037 -0.0303 0.0638 -0.0200 167 GLU C N 4725 C CA . GLU C 167 ? 0.1495 0.0769 0.0909 -0.0287 0.0517 -0.0312 167 GLU C CA 4726 C C . GLU C 167 ? 0.1336 0.0726 0.0856 -0.0181 0.0363 -0.0145 167 GLU C C 4727 O O . GLU C 167 ? 0.1346 0.0822 0.0793 -0.0038 0.0303 -0.0189 167 GLU C O 4728 C CB . GLU C 167 ? 0.1716 0.1095 0.0900 -0.0288 0.0627 -0.0201 167 GLU C CB 4729 C CG . GLU C 167 ? 0.2042 0.1464 0.0963 -0.0472 0.0629 -0.0301 167 GLU C CG 4730 C CD . GLU C 167 ? 0.2295 0.1776 0.1206 -0.0514 0.0658 -0.0305 167 GLU C CD 4731 O OE1 . GLU C 167 ? 0.2363 0.1525 0.1258 -0.0767 0.0523 -0.0087 167 GLU C OE1 4732 O OE2 . GLU C 167 ? 0.2585 0.2318 0.1459 -0.0154 0.0684 -0.0445 167 GLU C OE2 4733 N N . ASN C 168 ? 0.1247 0.0553 0.0711 -0.0109 0.0207 -0.0163 168 ASN C N 4734 C CA . ASN C 168 ? 0.1276 0.0686 0.0697 -0.0160 0.0185 0.0034 168 ASN C CA 4735 C C . ASN C 168 ? 0.1269 0.0669 0.0760 -0.0239 0.0266 -0.0006 168 ASN C C 4736 O O . ASN C 168 ? 0.1293 0.0951 0.0835 -0.0341 0.0276 -0.0005 168 ASN C O 4737 C CB . ASN C 168 ? 0.1482 0.1032 0.0888 -0.0285 0.0163 -0.0064 168 ASN C CB 4738 C CG . ASN C 168 ? 0.1614 0.1119 0.0999 -0.0422 0.0148 -0.0115 168 ASN C CG 4739 O OD1 . ASN C 168 ? 0.1765 0.1178 0.0972 -0.0585 0.0336 0.0005 168 ASN C OD1 4740 N ND2 . ASN C 168 ? 0.1543 0.1359 0.1244 -0.0409 0.0023 -0.0227 168 ASN C ND2 4741 N N . ILE C 169 ? 0.1354 0.0648 0.0885 -0.0371 0.0244 -0.0137 169 ILE C N 4742 C CA . ILE C 169 ? 0.1411 0.0558 0.1006 -0.0159 0.0290 -0.0096 169 ILE C CA 4743 C C . ILE C 169 ? 0.1246 0.0608 0.0997 -0.0046 0.0367 -0.0234 169 ILE C C 4744 O O . ILE C 169 ? 0.1191 0.0638 0.1122 0.0030 0.0340 -0.0082 169 ILE C O 4745 C CB . ILE C 169 ? 0.1559 0.0554 0.1274 -0.0032 0.0306 -0.0131 169 ILE C CB 4746 C CG1 . ILE C 169 ? 0.1854 0.1146 0.1541 -0.0190 0.0288 -0.0241 169 ILE C CG1 4747 C CG2 . ILE C 169 ? 0.1458 0.0453 0.1342 0.0047 0.0203 -0.0162 169 ILE C CG2 4748 C CD1 . ILE C 169 ? 0.2096 0.1428 0.1655 -0.0179 0.0260 -0.0352 169 ILE C CD1 4749 N N . LEU C 170 ? 0.1329 0.0802 0.0968 0.0002 0.0357 -0.0176 170 LEU C N 4750 C CA . LEU C 170 ? 0.1738 0.0836 0.1037 -0.0171 0.0301 -0.0141 170 LEU C CA 4751 C C . LEU C 170 ? 0.1549 0.0672 0.0945 -0.0137 0.0175 -0.0155 170 LEU C C 4752 O O . LEU C 170 ? 0.1670 0.0761 0.0857 -0.0212 0.0094 -0.0119 170 LEU C O 4753 C CB . LEU C 170 ? 0.2175 0.1444 0.1283 -0.0367 0.0367 -0.0045 170 LEU C CB 4754 C CG . LEU C 170 ? 0.2671 0.2325 0.1695 -0.0517 0.0492 -0.0027 170 LEU C CG 4755 C CD1 . LEU C 170 ? 0.2855 0.2555 0.1803 -0.0348 0.0463 0.0107 170 LEU C CD1 4756 C CD2 . LEU C 170 ? 0.2959 0.2695 0.1797 -0.0754 0.0514 -0.0191 170 LEU C CD2 4757 N N . SER C 171 ? 0.1441 0.0578 0.0952 -0.0152 0.0159 -0.0308 171 SER C N 4758 C CA . SER C 171 ? 0.1506 0.0834 0.1005 -0.0092 0.0153 -0.0347 171 SER C CA 4759 C C . SER C 171 ? 0.1253 0.0889 0.0877 0.0072 0.0078 -0.0216 171 SER C C 4760 O O . SER C 171 ? 0.1344 0.0868 0.0867 0.0269 0.0033 -0.0367 171 SER C O 4761 C CB . SER C 171 ? 0.1628 0.1000 0.1176 -0.0063 0.0232 -0.0470 171 SER C CB 4762 O OG . SER C 171 ? 0.1766 0.1184 0.1220 -0.0013 0.0373 -0.0460 171 SER C OG 4763 N N . ALA C 172 ? 0.1090 0.0904 0.0889 -0.0033 0.0073 -0.0152 172 ALA C N 4764 C CA . ALA C 172 ? 0.1049 0.0913 0.0880 -0.0152 0.0174 -0.0148 172 ALA C CA 4765 C C . ALA C 172 ? 0.1121 0.0819 0.0871 -0.0238 0.0191 -0.0281 172 ALA C C 4766 O O . ALA C 172 ? 0.1121 0.0863 0.1038 -0.0169 0.0234 -0.0115 172 ALA C O 4767 C CB . ALA C 172 ? 0.1282 0.1160 0.0880 -0.0179 0.0316 -0.0044 172 ALA C CB 4768 N N . TYR C 173 ? 0.1229 0.0735 0.0862 -0.0111 0.0110 -0.0172 173 TYR C N 4769 C CA . TYR C 173 ? 0.1347 0.0875 0.1070 -0.0036 0.0098 -0.0109 173 TYR C CA 4770 C C . TYR C 173 ? 0.1336 0.0811 0.1224 -0.0053 0.0078 -0.0090 173 TYR C C 4771 O O . TYR C 173 ? 0.1503 0.1022 0.1377 -0.0056 0.0158 -0.0038 173 TYR C O 4772 C CB . TYR C 173 ? 0.1547 0.0938 0.1135 0.0076 0.0011 -0.0177 173 TYR C CB 4773 C CG . TYR C 173 ? 0.1612 0.0894 0.1184 0.0145 -0.0109 -0.0082 173 TYR C CG 4774 C CD1 . TYR C 173 ? 0.1699 0.0893 0.1218 0.0018 -0.0368 -0.0230 173 TYR C CD1 4775 C CD2 . TYR C 173 ? 0.1821 0.1402 0.1295 0.0033 -0.0183 -0.0070 173 TYR C CD2 4776 C CE1 . TYR C 173 ? 0.1857 0.1208 0.1310 -0.0054 -0.0430 -0.0241 173 TYR C CE1 4777 C CE2 . TYR C 173 ? 0.1980 0.1718 0.1389 0.0024 -0.0301 -0.0077 173 TYR C CE2 4778 C CZ . TYR C 173 ? 0.2057 0.1790 0.1414 -0.0038 -0.0461 -0.0287 173 TYR C CZ 4779 O OH . TYR C 173 ? 0.2326 0.2595 0.1630 0.0101 -0.0627 -0.0247 173 TYR C OH 4780 N N . GLN C 174 ? 0.1396 0.0636 0.1417 -0.0020 -0.0062 -0.0091 174 GLN C N 4781 C CA . GLN C 174 ? 0.1690 0.0809 0.1810 0.0177 0.0174 0.0006 174 GLN C CA 4782 C C . GLN C 174 ? 0.1687 0.1015 0.1976 0.0348 0.0183 -0.0135 174 GLN C C 4783 O O . GLN C 174 ? 0.1925 0.1304 0.2281 0.0591 0.0244 -0.0076 174 GLN C O 4784 C CB . GLN C 174 ? 0.1950 0.0817 0.2028 0.0321 0.0200 0.0017 174 GLN C CB 4785 C CG . GLN C 174 ? 0.2460 0.1318 0.2286 0.0231 0.0182 0.0000 174 GLN C CG 4786 C CD . GLN C 174 ? 0.3054 0.1839 0.2588 0.0030 0.0322 -0.0130 174 GLN C CD 4787 O OE1 . GLN C 174 ? 0.3222 0.1742 0.2683 0.0062 0.0355 -0.0259 174 GLN C OE1 4788 N NE2 . GLN C 174 ? 0.3353 0.2422 0.2772 0.0043 0.0371 -0.0143 174 GLN C NE2 4789 N N . GLY C 175 ? 0.1515 0.1050 0.1836 0.0066 0.0215 -0.0184 175 GLY C N 4790 C CA . GLY C 175 ? 0.1521 0.1117 0.1856 -0.0025 0.0395 -0.0382 175 GLY C CA 4791 C C . GLY C 175 ? 0.1611 0.1175 0.1782 -0.0237 0.0549 -0.0421 175 GLY C C 4792 O O . GLY C 175 ? 0.1678 0.1380 0.1894 -0.0127 0.0612 -0.0439 175 GLY C O 4793 N N . THR C 176 ? 0.1393 0.0810 0.1626 -0.0355 0.0362 -0.0469 176 THR C N 4794 C CA . THR C 176 ? 0.1574 0.0846 0.1509 -0.0323 0.0454 -0.0497 176 THR C CA 4795 C C . THR C 176 ? 0.1273 0.0959 0.1225 -0.0495 0.0375 -0.0477 176 THR C C 4796 O O . THR C 176 ? 0.1344 0.1280 0.1080 -0.0440 0.0349 -0.0506 176 THR C O 4797 C CB . THR C 176 ? 0.1915 0.0730 0.1632 -0.0118 0.0619 -0.0301 176 THR C CB 4798 O OG1 . THR C 176 ? 0.1902 0.0659 0.1621 -0.0164 0.0578 -0.0211 176 THR C OG1 4799 C CG2 . THR C 176 ? 0.2065 0.0883 0.1776 -0.0128 0.0492 -0.0086 176 THR C CG2 4800 N N . PRO C 177 ? 0.1319 0.1013 0.1484 -0.0530 0.0488 -0.0294 177 PRO C N 4801 C CA . PRO C 177 ? 0.1515 0.0978 0.1379 -0.0605 0.0398 -0.0217 177 PRO C CA 4802 C C . PRO C 177 ? 0.1786 0.1049 0.1274 -0.0572 0.0363 -0.0381 177 PRO C C 4803 O O . PRO C 177 ? 0.2105 0.1009 0.1495 -0.0455 0.0532 -0.0238 177 PRO C O 4804 C CB . PRO C 177 ? 0.1677 0.1012 0.1595 -0.0601 0.0471 -0.0129 177 PRO C CB 4805 C CG . PRO C 177 ? 0.1654 0.1241 0.1704 -0.0627 0.0622 0.0015 177 PRO C CG 4806 C CD . PRO C 177 ? 0.1451 0.1109 0.1709 -0.0506 0.0652 -0.0036 177 PRO C CD 4807 N N . LEU C 178 ? 0.1645 0.1077 0.1041 -0.0546 0.0165 -0.0381 178 LEU C N 4808 C CA . LEU C 178 ? 0.1738 0.1040 0.1063 -0.0519 0.0160 -0.0433 178 LEU C CA 4809 C C . LEU C 178 ? 0.2015 0.0741 0.1115 -0.0391 0.0196 -0.0251 178 LEU C C 4810 O O . LEU C 178 ? 0.2030 0.0624 0.1153 -0.0298 0.0331 -0.0068 178 LEU C O 4811 C CB . LEU C 178 ? 0.1764 0.1288 0.1303 -0.0560 0.0157 -0.0362 178 LEU C CB 4812 C CG . LEU C 178 ? 0.1848 0.1432 0.1475 -0.0395 0.0145 -0.0327 178 LEU C CG 4813 C CD1 . LEU C 178 ? 0.2028 0.1542 0.1699 -0.0371 0.0276 -0.0370 178 LEU C CD1 4814 C CD2 . LEU C 178 ? 0.1662 0.1462 0.1500 -0.0346 0.0056 -0.0252 178 LEU C CD2 4815 N N . PRO C 179 ? 0.2262 0.0907 0.1053 -0.0440 0.0029 -0.0284 179 PRO C N 4816 C CA . PRO C 179 ? 0.2222 0.1104 0.1037 -0.0387 0.0018 -0.0424 179 PRO C CA 4817 C C . PRO C 179 ? 0.2030 0.1018 0.1054 -0.0441 0.0076 -0.0408 179 PRO C C 4818 O O . PRO C 179 ? 0.2011 0.1148 0.1133 -0.0650 0.0005 -0.0354 179 PRO C O 4819 C CB . PRO C 179 ? 0.2239 0.1271 0.1095 -0.0300 -0.0059 -0.0543 179 PRO C CB 4820 C CG . PRO C 179 ? 0.2361 0.1288 0.1113 -0.0298 -0.0038 -0.0538 179 PRO C CG 4821 C CD . PRO C 179 ? 0.2390 0.1163 0.1100 -0.0383 -0.0008 -0.0446 179 PRO C CD 4822 N N . ALA C 180 ? 0.1912 0.0909 0.0944 -0.0217 0.0257 -0.0357 180 ALA C N 4823 C CA . ALA C 180 ? 0.1625 0.0704 0.0937 -0.0226 0.0165 -0.0337 180 ALA C CA 4824 C C . ALA C 180 ? 0.1648 0.1325 0.0869 0.0122 0.0210 -0.0503 180 ALA C C 4825 O O . ALA C 180 ? 0.2061 0.2044 0.1142 0.0586 0.0445 -0.0205 180 ALA C O 4826 C CB . ALA C 180 ? 0.1580 0.0861 0.1126 -0.0405 0.0096 -0.0299 180 ALA C CB 4827 N N . ASN C 181 ? 0.1425 0.1252 0.0675 -0.0048 -0.0082 -0.0480 181 ASN C N 4828 C CA . ASN C 181 ? 0.1446 0.1581 0.0824 -0.0155 -0.0126 -0.0405 181 ASN C CA 4829 C C . ASN C 181 ? 0.1556 0.1661 0.0800 -0.0172 -0.0173 -0.0280 181 ASN C C 4830 O O . ASN C 181 ? 0.2107 0.1729 0.0831 -0.0350 -0.0305 -0.0037 181 ASN C O 4831 C CB . ASN C 181 ? 0.1465 0.1588 0.1145 -0.0250 -0.0032 -0.0615 181 ASN C CB 4832 C CG . ASN C 181 ? 0.1472 0.1805 0.1423 -0.0325 0.0024 -0.0723 181 ASN C CG 4833 O OD1 . ASN C 181 ? 0.1303 0.1658 0.1222 -0.0201 -0.0043 -0.0733 181 ASN C OD1 4834 N ND2 . ASN C 181 ? 0.1652 0.2097 0.1752 -0.0341 0.0021 -0.0821 181 ASN C ND2 4835 N N . ILE C 182 ? 0.1152 0.1456 0.0572 -0.0153 -0.0206 -0.0285 182 ILE C N 4836 C CA . ILE C 182 ? 0.1128 0.1361 0.0543 -0.0065 -0.0167 -0.0315 182 ILE C CA 4837 C C . ILE C 182 ? 0.1246 0.1204 0.0474 -0.0040 -0.0010 -0.0326 182 ILE C C 4838 O O . ILE C 182 ? 0.1521 0.1541 0.0565 -0.0074 0.0077 -0.0182 182 ILE C O 4839 C CB . ILE C 182 ? 0.1212 0.1303 0.0919 0.0065 -0.0107 -0.0240 182 ILE C CB 4840 C CG1 . ILE C 182 ? 0.1354 0.1343 0.1131 0.0170 -0.0029 -0.0384 182 ILE C CG1 4841 C CG2 . ILE C 182 ? 0.1331 0.1292 0.1051 0.0092 -0.0142 -0.0359 182 ILE C CG2 4842 C CD1 . ILE C 182 ? 0.1557 0.1465 0.1216 0.0175 0.0164 -0.0115 182 ILE C CD1 4843 N N . LEU C 183 ? 0.1076 0.1008 0.0452 0.0119 -0.0007 -0.0219 183 LEU C N 4844 C CA . LEU C 183 ? 0.1012 0.0865 0.0534 0.0034 0.0097 -0.0359 183 LEU C CA 4845 C C . LEU C 183 ? 0.0918 0.0965 0.0602 -0.0056 0.0009 -0.0315 183 LEU C C 4846 O O . LEU C 183 ? 0.0958 0.0849 0.0531 -0.0013 0.0136 -0.0343 183 LEU C O 4847 C CB . LEU C 183 ? 0.1024 0.0777 0.0557 0.0141 0.0060 -0.0333 183 LEU C CB 4848 C CG . LEU C 183 ? 0.1284 0.0790 0.0760 0.0035 -0.0027 -0.0226 183 LEU C CG 4849 C CD1 . LEU C 183 ? 0.1410 0.0815 0.0972 -0.0067 -0.0094 -0.0149 183 LEU C CD1 4850 C CD2 . LEU C 183 ? 0.1492 0.1126 0.0859 -0.0021 0.0075 -0.0092 183 LEU C CD2 4851 N N . ASP C 184 ? 0.0906 0.0905 0.0686 -0.0081 0.0084 -0.0218 184 ASP C N 4852 C CA . ASP C 184 ? 0.1100 0.0920 0.0848 -0.0024 0.0075 -0.0358 184 ASP C CA 4853 C C . ASP C 184 ? 0.1051 0.0843 0.0638 0.0087 0.0032 -0.0297 184 ASP C C 4854 O O . ASP C 184 ? 0.1255 0.0914 0.0654 0.0050 -0.0009 -0.0427 184 ASP C O 4855 C CB . ASP C 184 ? 0.1394 0.1212 0.1258 -0.0343 -0.0022 -0.0476 184 ASP C CB 4856 C CG . ASP C 184 ? 0.1623 0.1497 0.1451 -0.0581 -0.0084 -0.0584 184 ASP C CG 4857 O OD1 . ASP C 184 ? 0.1546 0.1311 0.1463 -0.0438 -0.0051 -0.0508 184 ASP C OD1 4858 O OD2 . ASP C 184 ? 0.1975 0.1790 0.1496 -0.0695 -0.0018 -0.0603 184 ASP C OD2 4859 N N . TRP C 185 ? 0.0988 0.0796 0.0559 0.0005 0.0058 -0.0372 185 TRP C N 4860 C CA . TRP C 185 ? 0.0949 0.0741 0.0504 0.0036 0.0073 -0.0333 185 TRP C CA 4861 C C . TRP C 185 ? 0.0989 0.0912 0.0575 0.0026 0.0129 -0.0378 185 TRP C C 4862 O O . TRP C 185 ? 0.1013 0.0964 0.0593 0.0003 0.0135 -0.0394 185 TRP C O 4863 C CB . TRP C 185 ? 0.1014 0.0864 0.0425 0.0007 0.0084 -0.0286 185 TRP C CB 4864 C CG . TRP C 185 ? 0.1036 0.0860 0.0473 0.0024 0.0060 -0.0331 185 TRP C CG 4865 C CD1 . TRP C 185 ? 0.1057 0.0891 0.0506 -0.0030 0.0083 -0.0312 185 TRP C CD1 4866 C CD2 . TRP C 185 ? 0.1045 0.0970 0.0488 0.0055 0.0175 -0.0304 185 TRP C CD2 4867 N NE1 . TRP C 185 ? 0.1149 0.0960 0.0613 0.0077 0.0050 -0.0324 185 TRP C NE1 4868 C CE2 . TRP C 185 ? 0.1084 0.0899 0.0534 0.0077 0.0146 -0.0342 185 TRP C CE2 4869 C CE3 . TRP C 185 ? 0.1001 0.0934 0.0488 -0.0020 0.0117 -0.0204 185 TRP C CE3 4870 C CZ2 . TRP C 185 ? 0.1057 0.0999 0.0677 -0.0048 -0.0073 -0.0275 185 TRP C CZ2 4871 C CZ3 . TRP C 185 ? 0.1182 0.1008 0.0691 0.0067 -0.0031 -0.0192 185 TRP C CZ3 4872 C CH2 . TRP C 185 ? 0.1155 0.1069 0.0670 -0.0156 -0.0042 -0.0216 185 TRP C CH2 4873 N N . GLN C 186 ? 0.1135 0.0811 0.0757 -0.0016 0.0125 -0.0439 186 GLN C N 4874 C CA . GLN C 186 ? 0.1309 0.0645 0.0984 0.0000 0.0007 -0.0441 186 GLN C CA 4875 C C . GLN C 186 ? 0.1331 0.0725 0.0880 0.0019 0.0153 -0.0416 186 GLN C C 4876 O O . GLN C 186 ? 0.1495 0.1035 0.1023 -0.0156 0.0271 -0.0547 186 GLN C O 4877 C CB . GLN C 186 ? 0.1712 0.0730 0.1157 0.0164 -0.0093 -0.0424 186 GLN C CB 4878 C CG . GLN C 186 ? 0.2269 0.1066 0.1484 0.0020 0.0006 -0.0329 186 GLN C CG 4879 C CD . GLN C 186 ? 0.2844 0.1304 0.1800 -0.0080 0.0133 -0.0357 186 GLN C CD 4880 O OE1 . GLN C 186 ? 0.3397 0.1915 0.2138 0.0071 0.0082 -0.0309 186 GLN C OE1 4881 N NE2 . GLN C 186 ? 0.2815 0.1386 0.1806 -0.0296 0.0310 -0.0235 186 GLN C NE2 4882 N N . ALA C 187 ? 0.1300 0.1006 0.0713 -0.0019 0.0212 -0.0427 187 ALA C N 4883 C CA . ALA C 187 ? 0.1291 0.1009 0.0639 -0.0077 0.0049 -0.0301 187 ALA C CA 4884 C C . ALA C 187 ? 0.1226 0.0989 0.0635 0.0002 0.0107 -0.0425 187 ALA C C 4885 O O . ALA C 187 ? 0.1297 0.1012 0.0740 -0.0146 0.0086 -0.0355 187 ALA C O 4886 C CB . ALA C 187 ? 0.1507 0.0888 0.0944 -0.0255 0.0026 -0.0096 187 ALA C CB 4887 N N . LEU C 188 ? 0.1204 0.0922 0.0746 0.0081 0.0173 -0.0443 188 LEU C N 4888 C CA . LEU C 188 ? 0.1105 0.0741 0.0659 -0.0217 0.0219 -0.0337 188 LEU C CA 4889 C C . LEU C 188 ? 0.1150 0.0875 0.0655 -0.0142 0.0091 -0.0302 188 LEU C C 4890 O O . LEU C 188 ? 0.1212 0.0991 0.0785 -0.0135 0.0018 -0.0340 188 LEU C O 4891 C CB . LEU C 188 ? 0.1119 0.0743 0.0710 -0.0162 0.0147 -0.0361 188 LEU C CB 4892 C CG . LEU C 188 ? 0.1241 0.0982 0.0879 -0.0124 0.0113 -0.0471 188 LEU C CG 4893 C CD1 . LEU C 188 ? 0.1415 0.1133 0.1089 -0.0132 0.0279 -0.0534 188 LEU C CD1 4894 C CD2 . LEU C 188 ? 0.1215 0.0930 0.0950 -0.0049 -0.0029 -0.0431 188 LEU C CD2 4895 N N . ASN C 189 ? 0.1140 0.1144 0.0661 -0.0133 0.0070 -0.0400 189 ASN C N 4896 C CA . ASN C 189 ? 0.1349 0.1288 0.0746 -0.0112 -0.0088 -0.0514 189 ASN C CA 4897 C C . ASN C 189 ? 0.1309 0.1012 0.0728 -0.0174 -0.0051 -0.0389 189 ASN C C 4898 O O . ASN C 189 ? 0.1417 0.1165 0.1094 0.0037 0.0019 -0.0339 189 ASN C O 4899 C CB . ASN C 189 ? 0.1717 0.1696 0.0949 -0.0023 -0.0201 -0.0651 189 ASN C CB 4900 C CG . ASN C 189 ? 0.2100 0.2488 0.1428 0.0105 -0.0256 -0.0532 189 ASN C CG 4901 O OD1 . ASN C 189 ? 0.2257 0.3251 0.1596 0.0294 -0.0024 -0.0310 189 ASN C OD1 4902 N ND2 . ASN C 189 ? 0.2362 0.2479 0.1601 0.0305 -0.0358 -0.0576 189 ASN C ND2 4903 N N . TYR C 190 ? 0.1538 0.1260 0.0780 -0.0124 0.0093 -0.0522 190 TYR C N 4904 C CA . TYR C 190 ? 0.1610 0.1221 0.0727 -0.0189 0.0192 -0.0437 190 TYR C CA 4905 C C . TYR C 190 ? 0.1629 0.1259 0.0750 0.0025 0.0324 -0.0347 190 TYR C C 4906 O O . TYR C 190 ? 0.1864 0.1302 0.0828 0.0028 0.0330 -0.0428 190 TYR C O 4907 C CB . TYR C 190 ? 0.1797 0.1320 0.0627 -0.0239 0.0235 -0.0284 190 TYR C CB 4908 C CG . TYR C 190 ? 0.2065 0.1330 0.0662 -0.0128 -0.0192 -0.0260 190 TYR C CG 4909 C CD1 . TYR C 190 ? 0.2176 0.1364 0.0679 -0.0077 -0.0188 -0.0262 190 TYR C CD1 4910 C CD2 . TYR C 190 ? 0.2402 0.1428 0.0897 -0.0056 -0.0351 -0.0327 190 TYR C CD2 4911 C CE1 . TYR C 190 ? 0.2428 0.1514 0.0931 0.0139 -0.0371 -0.0244 190 TYR C CE1 4912 C CE2 . TYR C 190 ? 0.2697 0.1378 0.1239 0.0156 -0.0524 -0.0488 190 TYR C CE2 4913 C CZ . TYR C 190 ? 0.2715 0.1695 0.1369 0.0473 -0.0591 -0.0499 190 TYR C CZ 4914 O OH . TYR C 190 ? 0.3093 0.1954 0.1882 0.0634 -0.0730 -0.0756 190 TYR C OH 4915 N N . GLU C 191 ? 0.1478 0.1326 0.0746 -0.0068 0.0311 -0.0194 191 GLU C N 4916 C CA . GLU C 191 ? 0.1520 0.1538 0.0662 -0.0003 0.0164 -0.0180 191 GLU C CA 4917 C C . GLU C 191 ? 0.1294 0.1224 0.0688 -0.0081 0.0234 -0.0436 191 GLU C C 4918 O O . GLU C 191 ? 0.1265 0.1650 0.0893 -0.0024 0.0310 -0.0551 191 GLU C O 4919 C CB . GLU C 191 ? 0.2039 0.2313 0.0881 0.0094 0.0011 0.0048 191 GLU C CB 4920 C CG . GLU C 191 ? 0.2697 0.3039 0.1324 0.0016 -0.0076 0.0037 191 GLU C CG 4921 C CD . GLU C 191 ? 0.3331 0.3619 0.1595 0.0091 -0.0189 -0.0005 191 GLU C CD 4922 O OE1 . GLU C 191 ? 0.3462 0.3698 0.1502 0.0200 -0.0239 0.0025 191 GLU C OE1 4923 O OE2 . GLU C 191 ? 0.3652 0.3905 0.1862 0.0102 -0.0214 -0.0122 191 GLU C OE2 4924 N N . ILE C 192 ? 0.1384 0.1473 0.0698 -0.0008 0.0142 -0.0401 192 ILE C N 4925 C CA . ILE C 192 ? 0.1423 0.1410 0.0690 0.0018 0.0255 -0.0365 192 ILE C CA 4926 C C . ILE C 192 ? 0.1445 0.1431 0.0647 0.0141 0.0402 -0.0119 192 ILE C C 4927 O O . ILE C 192 ? 0.1603 0.1572 0.0448 0.0085 0.0110 -0.0061 192 ILE C O 4928 C CB . ILE C 192 ? 0.1477 0.1559 0.0901 -0.0048 0.0304 -0.0051 192 ILE C CB 4929 C CG1 . ILE C 192 ? 0.1614 0.1685 0.1171 -0.0056 0.0329 -0.0059 192 ILE C CG1 4930 C CG2 . ILE C 192 ? 0.1514 0.1703 0.0915 -0.0020 0.0271 0.0215 192 ILE C CG2 4931 C CD1 . ILE C 192 ? 0.1734 0.1774 0.1397 0.0043 0.0285 -0.0025 192 ILE C CD1 4932 N N . ARG C 193 ? 0.1438 0.1296 0.0864 0.0100 0.0573 0.0209 193 ARG C N 4933 C CA . ARG C 193 ? 0.1549 0.1302 0.0916 0.0061 0.0443 0.0164 193 ARG C CA 4934 C C . ARG C 193 ? 0.1416 0.1185 0.0795 -0.0172 0.0411 0.0319 193 ARG C C 4935 O O . ARG C 193 ? 0.1551 0.1360 0.0757 -0.0227 0.0393 0.0018 193 ARG C O 4936 C CB . ARG C 193 ? 0.1847 0.1429 0.1078 0.0325 0.0151 0.0064 193 ARG C CB 4937 C CG . ARG C 193 ? 0.2189 0.1737 0.1278 0.0662 0.0009 0.0019 193 ARG C CG 4938 C CD . ARG C 193 ? 0.2519 0.2240 0.1406 0.0567 -0.0171 -0.0037 193 ARG C CD 4939 N NE . ARG C 193 ? 0.2820 0.2974 0.1552 0.0385 -0.0195 -0.0089 193 ARG C NE 4940 C CZ . ARG C 193 ? 0.2925 0.3306 0.1643 0.0148 -0.0153 -0.0085 193 ARG C CZ 4941 N NH1 . ARG C 193 ? 0.2828 0.3423 0.1692 0.0074 -0.0084 -0.0135 193 ARG C NH1 4942 N NH2 . ARG C 193 ? 0.3062 0.3505 0.1605 0.0157 -0.0158 -0.0078 193 ARG C NH2 4943 N N . GLY C 194 ? 0.1449 0.1532 0.0955 -0.0121 0.0385 0.0365 194 GLY C N 4944 C CA . GLY C 194 ? 0.1291 0.1503 0.0934 -0.0213 0.0269 0.0359 194 GLY C CA 4945 C C . GLY C 194 ? 0.1314 0.1443 0.0902 -0.0119 0.0243 0.0176 194 GLY C C 4946 O O . GLY C 194 ? 0.1519 0.1807 0.1127 0.0009 0.0064 -0.0061 194 GLY C O 4947 N N . TYR C 195 ? 0.1190 0.1299 0.0799 0.0019 0.0129 0.0069 195 TYR C N 4948 C CA . TYR C 195 ? 0.1137 0.1133 0.0650 0.0225 0.0078 0.0091 195 TYR C CA 4949 C C . TYR C 195 ? 0.1249 0.0863 0.0512 0.0154 0.0089 0.0137 195 TYR C C 4950 O O . TYR C 195 ? 0.1353 0.0778 0.0681 0.0109 0.0072 0.0092 195 TYR C O 4951 C CB . TYR C 195 ? 0.1162 0.0943 0.0706 0.0187 -0.0020 0.0119 195 TYR C CB 4952 C CG . TYR C 195 ? 0.1052 0.0967 0.0688 0.0094 -0.0010 0.0027 195 TYR C CG 4953 C CD1 . TYR C 195 ? 0.1090 0.1161 0.0770 -0.0040 -0.0167 0.0032 195 TYR C CD1 4954 C CD2 . TYR C 195 ? 0.1192 0.1323 0.0692 0.0053 0.0227 -0.0039 195 TYR C CD2 4955 C CE1 . TYR C 195 ? 0.1016 0.1221 0.0675 -0.0134 -0.0078 0.0035 195 TYR C CE1 4956 C CE2 . TYR C 195 ? 0.1260 0.1371 0.0602 0.0063 0.0127 -0.0062 195 TYR C CE2 4957 C CZ . TYR C 195 ? 0.1039 0.1258 0.0636 -0.0034 0.0026 0.0092 195 TYR C CZ 4958 O OH . TYR C 195 ? 0.1011 0.1359 0.0734 0.0132 -0.0015 -0.0060 195 TYR C OH 4959 N N . VAL C 196 ? 0.1223 0.0917 0.0386 -0.0066 0.0181 0.0074 196 VAL C N 4960 C CA . VAL C 196 ? 0.1296 0.0973 0.0505 0.0105 0.0202 -0.0150 196 VAL C CA 4961 C C . VAL C 196 ? 0.1403 0.0933 0.0499 0.0216 0.0061 -0.0220 196 VAL C C 4962 O O . VAL C 196 ? 0.1642 0.1191 0.0586 0.0339 -0.0026 -0.0269 196 VAL C O 4963 C CB . VAL C 196 ? 0.1296 0.0804 0.0758 0.0053 0.0064 -0.0117 196 VAL C CB 4964 C CG1 . VAL C 196 ? 0.1358 0.0873 0.0981 -0.0035 0.0062 0.0065 196 VAL C CG1 4965 C CG2 . VAL C 196 ? 0.1337 0.0814 0.0974 0.0271 -0.0042 0.0010 196 VAL C CG2 4966 N N . ILE C 197 ? 0.1229 0.0833 0.0508 0.0226 0.0190 -0.0138 197 ILE C N 4967 C CA . ILE C 197 ? 0.1187 0.0856 0.0570 0.0034 0.0252 -0.0265 197 ILE C CA 4968 C C . ILE C 197 ? 0.1150 0.0911 0.0509 0.0018 0.0288 -0.0203 197 ILE C C 4969 O O . ILE C 197 ? 0.1362 0.1174 0.0608 -0.0066 0.0398 -0.0185 197 ILE C O 4970 C CB . ILE C 197 ? 0.1282 0.0856 0.0692 0.0076 0.0170 -0.0026 197 ILE C CB 4971 C CG1 . ILE C 197 ? 0.1388 0.0789 0.0726 0.0069 0.0229 0.0076 197 ILE C CG1 4972 C CG2 . ILE C 197 ? 0.1394 0.0695 0.0845 0.0049 0.0156 -0.0172 197 ILE C CG2 4973 C CD1 . ILE C 197 ? 0.1342 0.0944 0.0834 0.0009 0.0272 -0.0084 197 ILE C CD1 4974 N N . ILE C 198 ? 0.1051 0.0914 0.0552 -0.0145 0.0124 -0.0242 198 ILE C N 4975 C CA . ILE C 198 ? 0.1002 0.0706 0.0558 -0.0039 0.0158 -0.0196 198 ILE C CA 4976 C C . ILE C 198 ? 0.0937 0.0905 0.0611 0.0054 0.0118 -0.0179 198 ILE C C 4977 O O . ILE C 198 ? 0.1133 0.1167 0.0957 0.0151 0.0209 0.0041 198 ILE C O 4978 C CB . ILE C 198 ? 0.1097 0.0933 0.0651 -0.0092 0.0075 -0.0167 198 ILE C CB 4979 C CG1 . ILE C 198 ? 0.1289 0.1051 0.0707 -0.0116 -0.0122 -0.0091 198 ILE C CG1 4980 C CG2 . ILE C 198 ? 0.1115 0.1037 0.0813 0.0000 0.0012 -0.0358 198 ILE C CG2 4981 C CD1 . ILE C 198 ? 0.1414 0.1199 0.0833 -0.0071 -0.0215 -0.0188 198 ILE C CD1 4982 N N . LYS C 199 ? 0.1142 0.0856 0.0604 0.0220 0.0164 -0.0063 199 LYS C N 4983 C CA . LYS C 199 ? 0.0958 0.0827 0.0704 0.0220 -0.0012 -0.0166 199 LYS C CA 4984 C C . LYS C 199 ? 0.1061 0.0777 0.0794 0.0225 -0.0098 -0.0072 199 LYS C C 4985 O O . LYS C 199 ? 0.1126 0.0897 0.0663 0.0171 -0.0092 -0.0023 199 LYS C O 4986 C CB . LYS C 199 ? 0.1202 0.1112 0.1004 -0.0004 -0.0136 -0.0108 199 LYS C CB 4987 C CG . LYS C 199 ? 0.1276 0.1555 0.1389 -0.0024 0.0003 -0.0164 199 LYS C CG 4988 C CD . LYS C 199 ? 0.1276 0.1811 0.1907 0.0065 0.0395 -0.0213 199 LYS C CD 4989 C CE . LYS C 199 ? 0.1424 0.2088 0.2428 0.0453 0.0439 -0.0185 199 LYS C CE 4990 N NZ . LYS C 199 ? 0.1616 0.2663 0.2989 0.0451 0.0586 -0.0204 199 LYS C NZ 4991 N N . PRO C 200 ? 0.1176 0.0826 0.1091 0.0286 -0.0028 -0.0022 200 PRO C N 4992 C CA . PRO C 200 ? 0.1239 0.0661 0.1121 0.0242 -0.0135 -0.0016 200 PRO C CA 4993 C C . PRO C 200 ? 0.1357 0.0789 0.0934 -0.0094 -0.0200 -0.0159 200 PRO C C 4994 O O . PRO C 200 ? 0.1441 0.0923 0.0919 -0.0082 -0.0111 -0.0028 200 PRO C O 4995 C CB . PRO C 200 ? 0.1456 0.0872 0.1266 0.0395 -0.0015 0.0013 200 PRO C CB 4996 C CG . PRO C 200 ? 0.1557 0.1166 0.1438 0.0440 0.0124 -0.0077 200 PRO C CG 4997 C CD . PRO C 200 ? 0.1430 0.0974 0.1347 0.0439 0.0152 -0.0175 200 PRO C CD 4998 N N . LEU C 201 ? 0.1460 0.0767 0.0829 -0.0238 -0.0215 -0.0296 201 LEU C N 4999 C CA . LEU C 201 ? 0.1721 0.0960 0.0922 -0.0280 -0.0333 -0.0224 201 LEU C CA 5000 C C . LEU C 201 ? 0.1849 0.1025 0.1111 0.0011 -0.0538 -0.0104 201 LEU C C 5001 O O . LEU C 201 ? 0.2458 0.1355 0.1385 -0.0133 -0.0755 -0.0059 201 LEU C O 5002 C CB . LEU C 201 ? 0.1834 0.1180 0.1006 -0.0463 -0.0110 -0.0377 201 LEU C CB 5003 C CG . LEU C 201 ? 0.2044 0.1439 0.1241 -0.0561 0.0071 -0.0317 201 LEU C CG 5004 C CD1 . LEU C 201 ? 0.1978 0.1164 0.1340 -0.0301 0.0114 -0.0230 201 LEU C CD1 5005 C CD2 . LEU C 201 ? 0.2190 0.2012 0.1394 -0.0594 0.0165 -0.0280 201 LEU C CD2 5006 N N . VAL C 202 ? 0.1430 0.0894 0.0850 0.0206 -0.0434 -0.0155 202 VAL C N 5007 C CA . VAL C 202 ? 0.1399 0.1088 0.0790 0.0296 -0.0246 -0.0159 202 VAL C CA 5008 C C . VAL C 202 ? 0.1229 0.1153 0.0805 0.0177 -0.0211 -0.0234 202 VAL C C 5009 O O . VAL C 202 ? 0.1225 0.0994 0.1052 0.0129 -0.0021 -0.0001 202 VAL C O 5010 C CB . VAL C 202 ? 0.1479 0.1293 0.0676 0.0499 -0.0119 -0.0042 202 VAL C CB 5011 C CG1 . VAL C 202 ? 0.1764 0.1647 0.0767 0.0664 -0.0040 -0.0080 202 VAL C CG1 5012 C CG2 . VAL C 202 ? 0.1465 0.1382 0.0681 0.0151 -0.0127 -0.0015 202 VAL C CG2 5013 N N . TRP C 203 ? 0.1421 0.1231 0.0890 0.0295 -0.0201 -0.0545 203 TRP C N 5014 C CA . TRP C 203 ? 0.1530 0.1567 0.1185 0.0237 -0.0038 -0.0462 203 TRP C CA 5015 C C . TRP C 203 ? 0.2013 0.2590 0.1822 0.0124 0.0252 -0.0526 203 TRP C C 5016 O O . TRP C 203 ? 0.2195 0.3124 0.1962 0.0015 0.0343 -0.0550 203 TRP C O 5017 C CB . TRP C 203 ? 0.1195 0.1408 0.1056 0.0245 -0.0063 -0.0530 203 TRP C CB 5018 C CG . TRP C 203 ? 0.0994 0.1170 0.1005 0.0108 -0.0045 -0.0516 203 TRP C CG 5019 C CD1 . TRP C 203 ? 0.0810 0.1177 0.1105 0.0113 -0.0020 -0.0233 203 TRP C CD1 5020 C CD2 . TRP C 203 ? 0.0918 0.1272 0.0942 -0.0173 0.0020 -0.0560 203 TRP C CD2 5021 N NE1 . TRP C 203 ? 0.0858 0.1118 0.1241 0.0005 0.0248 -0.0199 203 TRP C NE1 5022 C CE2 . TRP C 203 ? 0.0798 0.0976 0.0990 -0.0204 0.0189 -0.0387 203 TRP C CE2 5023 C CE3 . TRP C 203 ? 0.0944 0.1742 0.0857 -0.0236 0.0006 -0.0513 203 TRP C CE3 5024 C CZ2 . TRP C 203 ? 0.0865 0.0930 0.0910 -0.0289 0.0213 -0.0171 203 TRP C CZ2 5025 C CZ3 . TRP C 203 ? 0.0983 0.1794 0.0828 -0.0310 0.0029 -0.0464 203 TRP C CZ3 5026 C CH2 . TRP C 203 ? 0.0839 0.1312 0.0768 -0.0200 0.0105 -0.0304 203 TRP C CH2 5027 N N . VAL C 204 ? 0.2568 0.3276 0.2607 -0.0182 0.0494 -0.0438 204 VAL C N 5028 C CA . VAL C 204 ? 0.3422 0.4321 0.3289 -0.0073 0.0457 -0.0341 204 VAL C CA 5029 C C . VAL C 204 ? 0.4148 0.4949 0.3595 0.0035 0.0365 -0.0203 204 VAL C C 5030 O O . VAL C 204 ? 0.4440 0.5205 0.3691 0.0100 0.0313 -0.0048 204 VAL C O 5031 C CB . VAL C 204 ? 0.3534 0.4690 0.3584 -0.0157 0.0457 -0.0409 204 VAL C CB 5032 C CG1 . VAL C 204 ? 0.3555 0.4763 0.3683 -0.0197 0.0475 -0.0478 204 VAL C CG1 5033 C CG2 . VAL C 204 ? 0.3610 0.4884 0.3723 -0.0139 0.0406 -0.0424 204 VAL C CG2 5034 O OXT . VAL C 204 ? 0.4358 0.5162 0.3687 0.0053 0.0353 -0.0284 204 VAL C OXT 5035 N N . HIS D 1 ? 0.2868 0.4519 0.3377 0.1214 0.0993 0.0618 1 HIS D N 5036 C CA . HIS D 1 ? 0.2865 0.4089 0.3232 0.1168 0.1071 0.0554 1 HIS D CA 5037 C C . HIS D 1 ? 0.2534 0.3467 0.2924 0.1150 0.0989 0.0558 1 HIS D C 5038 O O . HIS D 1 ? 0.2710 0.3695 0.3038 0.1133 0.1097 0.0556 1 HIS D O 5039 C CB . HIS D 1 ? 0.3217 0.4428 0.3467 0.1039 0.1075 0.0541 1 HIS D CB 5040 C CG . HIS D 1 ? 0.3735 0.4910 0.3762 0.0757 0.0954 0.0503 1 HIS D CG 5041 N ND1 . HIS D 1 ? 0.3934 0.5195 0.3886 0.0638 0.0959 0.0481 1 HIS D ND1 5042 C CD2 . HIS D 1 ? 0.3922 0.5148 0.3845 0.0635 0.0898 0.0516 1 HIS D CD2 5043 C CE1 . HIS D 1 ? 0.4032 0.5282 0.3896 0.0567 0.0905 0.0482 1 HIS D CE1 5044 N NE2 . HIS D 1 ? 0.4042 0.5317 0.3924 0.0557 0.0885 0.0494 1 HIS D NE2 5045 N N . THR D 2 ? 0.2068 0.2609 0.2519 0.0950 0.0935 0.0496 2 THR D N 5046 C CA . THR D 2 ? 0.1844 0.2262 0.2287 0.0696 0.0631 0.0335 2 THR D CA 5047 C C . THR D 2 ? 0.1578 0.1640 0.1820 0.0643 0.0551 0.0188 2 THR D C 5048 O O . THR D 2 ? 0.1571 0.1365 0.1725 0.0552 0.0404 0.0441 2 THR D O 5049 C CB . THR D 2 ? 0.1993 0.2661 0.2607 0.0377 0.0426 0.0110 2 THR D CB 5050 O OG1 . THR D 2 ? 0.2129 0.2854 0.2897 0.0142 0.0334 -0.0113 2 THR D OG1 5051 C CG2 . THR D 2 ? 0.2090 0.2774 0.2611 0.0239 0.0286 0.0033 2 THR D CG2 5052 N N . ASP D 3 ? 0.1518 0.1379 0.1552 0.0664 0.0566 -0.0007 3 ASP D N 5053 C CA . ASP D 3 ? 0.1602 0.1126 0.1185 0.0598 0.0428 -0.0099 3 ASP D CA 5054 C C . ASP D 3 ? 0.1590 0.1095 0.0902 0.0595 0.0268 -0.0134 3 ASP D C 5055 O O . ASP D 3 ? 0.1747 0.1239 0.1137 0.0778 0.0211 -0.0062 3 ASP D O 5056 C CB . ASP D 3 ? 0.1799 0.1059 0.1260 0.0678 0.0263 -0.0121 3 ASP D CB 5057 C CG . ASP D 3 ? 0.2120 0.1169 0.1360 0.0637 0.0330 -0.0275 3 ASP D CG 5058 O OD1 . ASP D 3 ? 0.2017 0.0960 0.1176 0.0418 0.0445 -0.0209 3 ASP D OD1 5059 O OD2 . ASP D 3 ? 0.2430 0.1513 0.1699 0.0484 0.0408 -0.0396 3 ASP D OD2 5060 N N . LEU D 4 ? 0.1423 0.0805 0.0699 0.0317 0.0200 -0.0078 4 LEU D N 5061 C CA . LEU D 4 ? 0.1465 0.0731 0.0565 0.0300 0.0111 -0.0053 4 LEU D CA 5062 C C . LEU D 4 ? 0.1536 0.0769 0.0629 0.0316 0.0058 -0.0183 4 LEU D C 5063 O O . LEU D 4 ? 0.1494 0.0810 0.0499 0.0327 0.0017 -0.0069 4 LEU D O 5064 C CB . LEU D 4 ? 0.1509 0.0960 0.0712 0.0359 0.0233 -0.0050 4 LEU D CB 5065 C CG . LEU D 4 ? 0.1473 0.1115 0.0901 0.0135 0.0140 -0.0001 4 LEU D CG 5066 C CD1 . LEU D 4 ? 0.1598 0.1286 0.1118 -0.0012 0.0239 0.0251 4 LEU D CD1 5067 C CD2 . LEU D 4 ? 0.1579 0.1408 0.1083 -0.0124 0.0020 -0.0182 4 LEU D CD2 5068 N N . SER D 5 ? 0.1610 0.0678 0.0759 0.0233 0.0097 -0.0235 5 SER D N 5069 C CA . SER D 5 ? 0.1631 0.0852 0.0906 0.0038 0.0175 -0.0201 5 SER D CA 5070 C C . SER D 5 ? 0.1639 0.0736 0.0914 0.0016 0.0135 0.0064 5 SER D C 5071 O O . SER D 5 ? 0.1776 0.0835 0.1050 0.0216 0.0129 -0.0114 5 SER D O 5072 C CB . SER D 5 ? 0.1907 0.1098 0.1059 -0.0203 0.0236 -0.0487 5 SER D CB 5073 O OG . SER D 5 ? 0.2213 0.1303 0.1273 0.0011 0.0240 -0.0574 5 SER D OG 5074 N N . GLY D 6 ? 0.1642 0.0666 0.0825 -0.0047 0.0213 -0.0016 6 GLY D N 5075 C CA . GLY D 6 ? 0.1678 0.0682 0.0810 -0.0067 0.0260 0.0035 6 GLY D CA 5076 C C . GLY D 6 ? 0.1661 0.0733 0.0847 -0.0043 0.0265 -0.0041 6 GLY D C 5077 O O . GLY D 6 ? 0.1762 0.0695 0.0844 0.0109 0.0317 -0.0216 6 GLY D O 5078 N N . LYS D 7 ? 0.1501 0.0591 0.0776 0.0027 0.0159 -0.0010 7 LYS D N 5079 C CA . LYS D 7 ? 0.1178 0.0732 0.0787 0.0004 0.0198 -0.0225 7 LYS D CA 5080 C C . LYS D 7 ? 0.1035 0.0820 0.0658 -0.0035 0.0033 -0.0161 7 LYS D C 5081 O O . LYS D 7 ? 0.1271 0.0804 0.0853 0.0149 -0.0203 -0.0188 7 LYS D O 5082 C CB . LYS D 7 ? 0.1334 0.0769 0.1175 0.0056 0.0249 -0.0243 7 LYS D CB 5083 C CG . LYS D 7 ? 0.1805 0.1244 0.1802 0.0260 0.0251 -0.0143 7 LYS D CG 5084 C CD . LYS D 7 ? 0.2358 0.2042 0.2221 0.0449 0.0233 -0.0090 7 LYS D CD 5085 C CE . LYS D 7 ? 0.2667 0.2694 0.2567 0.0701 0.0185 0.0054 7 LYS D CE 5086 N NZ . LYS D 7 ? 0.2904 0.3200 0.2812 0.0803 0.0178 0.0145 7 LYS D NZ 5087 N N . VAL D 8 ? 0.0867 0.0576 0.0540 -0.0087 0.0071 -0.0068 8 VAL D N 5088 C CA . VAL D 8 ? 0.0932 0.0494 0.0482 0.0042 0.0161 -0.0133 8 VAL D CA 5089 C C . VAL D 8 ? 0.0829 0.0608 0.0483 0.0086 0.0105 -0.0048 8 VAL D C 5090 O O . VAL D 8 ? 0.0802 0.0672 0.0600 -0.0120 0.0095 0.0108 8 VAL D O 5091 C CB . VAL D 8 ? 0.1136 0.0801 0.0712 0.0072 0.0138 -0.0118 8 VAL D CB 5092 C CG1 . VAL D 8 ? 0.1216 0.1370 0.0930 0.0019 0.0279 0.0018 8 VAL D CG1 5093 C CG2 . VAL D 8 ? 0.1284 0.1048 0.0736 0.0251 0.0305 -0.0267 8 VAL D CG2 5094 N N . PHE D 9 ? 0.0833 0.0723 0.0500 0.0065 0.0154 -0.0091 9 PHE D N 5095 C CA . PHE D 9 ? 0.0668 0.0654 0.0401 -0.0018 0.0077 0.0005 9 PHE D CA 5096 C C . PHE D 9 ? 0.0630 0.0824 0.0360 0.0033 -0.0117 -0.0019 9 PHE D C 5097 O O . PHE D 9 ? 0.0578 0.0996 0.0439 0.0064 -0.0112 -0.0283 9 PHE D O 5098 C CB . PHE D 9 ? 0.0885 0.0761 0.0401 0.0074 0.0078 0.0062 9 PHE D CB 5099 C CG . PHE D 9 ? 0.1056 0.1011 0.0487 -0.0007 0.0282 -0.0111 9 PHE D CG 5100 C CD1 . PHE D 9 ? 0.1192 0.1343 0.0637 0.0114 0.0403 -0.0212 9 PHE D CD1 5101 C CD2 . PHE D 9 ? 0.1176 0.1169 0.0549 0.0029 0.0228 -0.0181 9 PHE D CD2 5102 C CE1 . PHE D 9 ? 0.1230 0.1490 0.0691 0.0185 0.0435 -0.0110 9 PHE D CE1 5103 C CE2 . PHE D 9 ? 0.1275 0.1386 0.0643 -0.0057 0.0426 -0.0164 9 PHE D CE2 5104 C CZ . PHE D 9 ? 0.1298 0.1416 0.0742 0.0082 0.0463 -0.0256 9 PHE D CZ 5105 N N . VAL D 10 ? 0.0626 0.0853 0.0344 0.0164 -0.0131 -0.0102 10 VAL D N 5106 C CA . VAL D 10 ? 0.0591 0.0718 0.0418 -0.0045 -0.0173 0.0098 10 VAL D CA 5107 C C . VAL D 10 ? 0.0638 0.0678 0.0329 -0.0034 -0.0004 0.0040 10 VAL D C 5108 O O . VAL D 10 ? 0.0740 0.0986 0.0438 0.0074 0.0110 0.0102 10 VAL D O 5109 C CB . VAL D 10 ? 0.0786 0.0966 0.0617 -0.0063 -0.0020 0.0311 10 VAL D CB 5110 C CG1 . VAL D 10 ? 0.0842 0.1243 0.0641 -0.0008 0.0045 0.0237 10 VAL D CG1 5111 C CG2 . VAL D 10 ? 0.1024 0.1143 0.0733 -0.0104 0.0081 0.0329 10 VAL D CG2 5112 N N . PHE D 11 ? 0.0648 0.0612 0.0400 -0.0066 -0.0020 0.0069 11 PHE D N 5113 C CA . PHE D 11 ? 0.0721 0.0522 0.0365 -0.0103 0.0079 0.0050 11 PHE D CA 5114 C C . PHE D 11 ? 0.0760 0.0599 0.0361 -0.0022 0.0021 0.0043 11 PHE D C 5115 O O . PHE D 11 ? 0.0852 0.0819 0.0508 -0.0058 0.0049 -0.0042 11 PHE D O 5116 C CB . PHE D 11 ? 0.1037 0.0694 0.0524 0.0006 0.0184 0.0160 11 PHE D CB 5117 C CG . PHE D 11 ? 0.1194 0.1038 0.0559 0.0398 0.0092 0.0256 11 PHE D CG 5118 C CD1 . PHE D 11 ? 0.1311 0.1184 0.0576 0.0479 -0.0083 -0.0050 11 PHE D CD1 5119 C CD2 . PHE D 11 ? 0.1407 0.1327 0.0657 0.0620 0.0199 0.0303 11 PHE D CD2 5120 C CE1 . PHE D 11 ? 0.1384 0.1485 0.0620 0.0539 -0.0245 0.0004 11 PHE D CE1 5121 C CE2 . PHE D 11 ? 0.1401 0.1403 0.0655 0.0639 0.0109 0.0282 11 PHE D CE2 5122 C CZ . PHE D 11 ? 0.1331 0.1309 0.0539 0.0618 -0.0026 0.0098 11 PHE D CZ 5123 N N . PRO D 12 ? 0.0740 0.0783 0.0384 0.0072 -0.0022 -0.0033 12 PRO D N 5124 C CA . PRO D 12 ? 0.0889 0.0856 0.0435 0.0066 -0.0069 -0.0074 12 PRO D CA 5125 C C . PRO D 12 ? 0.1060 0.0654 0.0377 0.0014 -0.0048 0.0079 12 PRO D C 5126 O O . PRO D 12 ? 0.1172 0.0826 0.0311 0.0023 -0.0002 -0.0042 12 PRO D O 5127 C CB . PRO D 12 ? 0.0908 0.0876 0.0414 0.0077 -0.0080 -0.0058 12 PRO D CB 5128 C CG . PRO D 12 ? 0.0849 0.0999 0.0623 0.0044 -0.0136 -0.0082 12 PRO D CG 5129 C CD . PRO D 12 ? 0.0788 0.1039 0.0540 -0.0153 -0.0118 -0.0089 12 PRO D CD 5130 N N . ARG D 13 ? 0.1156 0.0764 0.0559 -0.0140 0.0128 0.0159 13 ARG D N 5131 C CA . ARG D 13 ? 0.1354 0.0797 0.0570 -0.0088 0.0007 -0.0046 13 ARG D CA 5132 C C . ARG D 13 ? 0.1441 0.0648 0.0553 -0.0058 0.0165 -0.0036 13 ARG D C 5133 O O . ARG D 13 ? 0.1664 0.0835 0.0722 0.0133 0.0131 -0.0005 13 ARG D O 5134 C CB . ARG D 13 ? 0.1526 0.0897 0.0777 -0.0079 -0.0085 -0.0254 13 ARG D CB 5135 C CG . ARG D 13 ? 0.1579 0.1114 0.1056 -0.0174 0.0095 -0.0247 13 ARG D CG 5136 C CD . ARG D 13 ? 0.1837 0.1429 0.1270 -0.0261 0.0307 -0.0356 13 ARG D CD 5137 N NE . ARG D 13 ? 0.1922 0.1765 0.1447 -0.0347 0.0247 -0.0420 13 ARG D NE 5138 C CZ . ARG D 13 ? 0.1979 0.2369 0.1631 -0.0444 0.0007 -0.0684 13 ARG D CZ 5139 N NH1 . ARG D 13 ? 0.2114 0.2938 0.1902 -0.0391 -0.0018 -0.0817 13 ARG D NH1 5140 N NH2 . ARG D 13 ? 0.1878 0.2342 0.1511 -0.0591 -0.0132 -0.0551 13 ARG D NH2 5141 N N . GLU D 14 ? 0.1540 0.0692 0.0603 -0.0084 0.0076 0.0116 14 GLU D N 5142 C CA . GLU D 14 ? 0.1637 0.0753 0.0827 -0.0134 0.0022 0.0030 14 GLU D CA 5143 C C . GLU D 14 ? 0.1461 0.1026 0.0918 -0.0240 -0.0104 0.0008 14 GLU D C 5144 O O . GLU D 14 ? 0.1364 0.1279 0.1000 -0.0514 -0.0149 0.0082 14 GLU D O 5145 C CB . GLU D 14 ? 0.1923 0.1195 0.1035 0.0076 -0.0037 -0.0162 14 GLU D CB 5146 C CG . GLU D 14 ? 0.2124 0.1427 0.1245 0.0069 -0.0077 -0.0399 14 GLU D CG 5147 C CD . GLU D 14 ? 0.2563 0.1899 0.1801 0.0214 -0.0228 -0.0477 14 GLU D CD 5148 O OE1 . GLU D 14 ? 0.2535 0.1891 0.1700 0.0469 -0.0498 -0.0537 14 GLU D OE1 5149 O OE2 . GLU D 14 ? 0.2913 0.2520 0.2396 0.0172 -0.0119 -0.0542 14 GLU D OE2 5150 N N . SER D 15 ? 0.1407 0.0918 0.0894 -0.0228 -0.0089 0.0169 15 SER D N 5151 C CA . SER D 15 ? 0.1537 0.0995 0.0934 -0.0303 -0.0085 0.0093 15 SER D CA 5152 C C . SER D 15 ? 0.1523 0.1023 0.0884 -0.0394 -0.0214 0.0095 15 SER D C 5153 O O . SER D 15 ? 0.1456 0.1133 0.0775 -0.0250 -0.0205 -0.0052 15 SER D O 5154 C CB . SER D 15 ? 0.1707 0.1222 0.1011 -0.0206 -0.0149 0.0025 15 SER D CB 5155 O OG . SER D 15 ? 0.1751 0.1140 0.0992 0.0006 -0.0028 0.0051 15 SER D OG 5156 N N . VAL D 16 ? 0.1640 0.1361 0.0876 -0.0644 -0.0145 0.0254 16 VAL D N 5157 C CA . VAL D 16 ? 0.2029 0.1494 0.0974 -0.0716 -0.0035 0.0239 16 VAL D CA 5158 C C . VAL D 16 ? 0.2043 0.1758 0.0955 -0.0807 0.0248 0.0052 16 VAL D C 5159 O O . VAL D 16 ? 0.2403 0.2447 0.0944 -0.0542 0.0265 -0.0002 16 VAL D O 5160 C CB . VAL D 16 ? 0.2450 0.1732 0.1324 -0.0755 0.0035 0.0367 16 VAL D CB 5161 C CG1 . VAL D 16 ? 0.2443 0.1544 0.1370 -0.0865 0.0023 0.0372 16 VAL D CG1 5162 C CG2 . VAL D 16 ? 0.2682 0.2139 0.1566 -0.0552 -0.0057 0.0318 16 VAL D CG2 5163 N N . THR D 17 ? 0.1850 0.1668 0.1221 -0.0857 0.0523 -0.0089 17 THR D N 5164 C CA . THR D 17 ? 0.1793 0.1818 0.1420 -0.0909 0.0486 -0.0322 17 THR D CA 5165 C C . THR D 17 ? 0.1707 0.1738 0.1235 -0.0612 0.0511 -0.0391 17 THR D C 5166 O O . THR D 17 ? 0.2003 0.1851 0.1576 -0.0543 0.0822 -0.0440 17 THR D O 5167 C CB . THR D 17 ? 0.1918 0.2153 0.1955 -0.0881 0.0270 -0.0392 17 THR D CB 5168 O OG1 . THR D 17 ? 0.1989 0.2040 0.2075 -0.0772 -0.0024 -0.0651 17 THR D OG1 5169 C CG2 . THR D 17 ? 0.2211 0.2436 0.2283 -0.0817 0.0344 -0.0366 17 THR D CG2 5170 N N . ASP D 18 ? 0.1387 0.1524 0.0859 -0.0433 0.0157 -0.0073 18 ASP D N 5171 C CA . ASP D 18 ? 0.1225 0.1359 0.0799 -0.0171 -0.0025 0.0059 18 ASP D CA 5172 C C . ASP D 18 ? 0.1101 0.1240 0.0640 -0.0046 0.0007 0.0026 18 ASP D C 5173 O O . ASP D 18 ? 0.1098 0.1345 0.0661 0.0071 0.0040 -0.0026 18 ASP D O 5174 C CB . ASP D 18 ? 0.1405 0.1291 0.0857 -0.0094 -0.0088 0.0048 18 ASP D CB 5175 C CG . ASP D 18 ? 0.1624 0.1216 0.0964 -0.0030 -0.0085 0.0047 18 ASP D CG 5176 O OD1 . ASP D 18 ? 0.1799 0.1497 0.0895 -0.0131 -0.0012 0.0136 18 ASP D OD1 5177 O OD2 . ASP D 18 ? 0.1728 0.1340 0.1112 0.0001 -0.0115 -0.0179 18 ASP D OD2 5178 N N . HIS D 19 ? 0.1038 0.0909 0.0556 -0.0140 -0.0108 0.0026 19 HIS D N 5179 C CA . HIS D 19 ? 0.1025 0.0938 0.0531 0.0005 -0.0022 0.0025 19 HIS D CA 5180 C C . HIS D 19 ? 0.1045 0.1059 0.0549 0.0036 0.0016 0.0096 19 HIS D C 5181 O O . HIS D 19 ? 0.1135 0.1200 0.0523 -0.0036 -0.0061 -0.0016 19 HIS D O 5182 C CB . HIS D 19 ? 0.1128 0.1002 0.0613 0.0077 -0.0030 0.0162 19 HIS D CB 5183 C CG . HIS D 19 ? 0.1193 0.1290 0.0814 -0.0016 0.0023 0.0236 19 HIS D CG 5184 N ND1 . HIS D 19 ? 0.1208 0.1488 0.1064 -0.0327 0.0289 0.0127 19 HIS D ND1 5185 C CD2 . HIS D 19 ? 0.1274 0.1558 0.0943 -0.0002 0.0034 0.0343 19 HIS D CD2 5186 C CE1 . HIS D 19 ? 0.1323 0.1603 0.1107 -0.0271 0.0277 0.0236 19 HIS D CE1 5187 N NE2 . HIS D 19 ? 0.1465 0.1692 0.1086 -0.0149 0.0196 0.0235 19 HIS D NE2 5188 N N . VAL D 20 ? 0.0991 0.1045 0.0369 0.0091 0.0085 0.0055 20 VAL D N 5189 C CA . VAL D 20 ? 0.1080 0.0957 0.0438 0.0012 0.0175 0.0093 20 VAL D CA 5190 C C . VAL D 20 ? 0.0989 0.1005 0.0507 0.0154 0.0196 0.0124 20 VAL D C 5191 O O . VAL D 20 ? 0.0954 0.1220 0.0557 0.0250 0.0186 0.0204 20 VAL D O 5192 C CB . VAL D 20 ? 0.1292 0.0917 0.0715 0.0088 0.0283 0.0159 20 VAL D CB 5193 C CG1 . VAL D 20 ? 0.1675 0.1035 0.1058 0.0121 0.0320 0.0206 20 VAL D CG1 5194 C CG2 . VAL D 20 ? 0.1244 0.1074 0.0735 0.0093 0.0266 0.0193 20 VAL D CG2 5195 N N . ASN D 21 ? 0.0887 0.1036 0.0511 0.0090 0.0206 0.0083 21 ASN D N 5196 C CA . ASN D 21 ? 0.1110 0.1171 0.0622 0.0171 0.0228 0.0150 21 ASN D CA 5197 C C . ASN D 21 ? 0.1294 0.0953 0.0586 0.0264 0.0096 0.0052 21 ASN D C 5198 O O . ASN D 21 ? 0.1499 0.1299 0.0654 0.0253 0.0032 0.0000 21 ASN D O 5199 C CB . ASN D 21 ? 0.1157 0.1485 0.0818 0.0110 0.0340 0.0091 21 ASN D CB 5200 C CG . ASN D 21 ? 0.1378 0.1702 0.1096 0.0111 0.0334 0.0171 21 ASN D CG 5201 O OD1 . ASN D 21 ? 0.1721 0.1797 0.1303 -0.0061 0.0239 0.0092 21 ASN D OD1 5202 N ND2 . ASN D 21 ? 0.1682 0.1934 0.1392 0.0158 0.0271 0.0260 21 ASN D ND2 5203 N N . LEU D 22 ? 0.1484 0.0888 0.0796 0.0339 0.0089 0.0069 22 LEU D N 5204 C CA . LEU D 22 ? 0.1674 0.1058 0.0827 0.0311 0.0182 0.0038 22 LEU D CA 5205 C C . LEU D 22 ? 0.1912 0.1298 0.0839 0.0364 0.0326 0.0039 22 LEU D C 5206 O O . LEU D 22 ? 0.1977 0.1506 0.0864 0.0423 0.0423 0.0040 22 LEU D O 5207 C CB . LEU D 22 ? 0.1658 0.1110 0.0851 0.0103 0.0117 0.0051 22 LEU D CB 5208 C CG . LEU D 22 ? 0.1580 0.1227 0.0740 -0.0069 0.0032 0.0094 22 LEU D CG 5209 C CD1 . LEU D 22 ? 0.1553 0.1445 0.0786 -0.0243 0.0035 0.0100 22 LEU D CD1 5210 C CD2 . LEU D 22 ? 0.1759 0.1665 0.0827 0.0023 0.0153 0.0267 22 LEU D CD2 5211 N N . ILE D 23 ? 0.2114 0.1556 0.0998 0.0525 0.0524 -0.0070 23 ILE D N 5212 C CA . ILE D 23 ? 0.2458 0.2143 0.1351 0.0466 0.0677 0.0035 23 ILE D CA 5213 C C . ILE D 23 ? 0.2669 0.2523 0.1311 0.0269 0.0615 -0.0205 23 ILE D C 5214 O O . ILE D 23 ? 0.2652 0.2312 0.1170 0.0216 0.0530 -0.0353 23 ILE D O 5215 C CB . ILE D 23 ? 0.2765 0.2538 0.1894 0.0590 0.0824 -0.0019 23 ILE D CB 5216 C CG1 . ILE D 23 ? 0.2987 0.2849 0.2255 0.0537 0.0682 0.0165 23 ILE D CG1 5217 C CG2 . ILE D 23 ? 0.2890 0.2690 0.2038 0.0470 0.1065 -0.0012 23 ILE D CG2 5218 C CD1 . ILE D 23 ? 0.3097 0.2948 0.2456 0.0446 0.0609 0.0321 23 ILE D CD1 5219 N N . THR D 24 ? 0.2977 0.3215 0.1614 0.0009 0.0473 -0.0402 24 THR D N 5220 C CA . THR D 24 ? 0.3306 0.3965 0.2011 -0.0338 0.0481 -0.0588 24 THR D CA 5221 C C . THR D 24 ? 0.3630 0.4514 0.2195 -0.0219 0.0425 -0.0717 24 THR D C 5222 O O . THR D 24 ? 0.3601 0.4680 0.2175 -0.0435 0.0553 -0.0621 24 THR D O 5223 C CB . THR D 24 ? 0.3216 0.4101 0.2109 -0.0680 0.0649 -0.0822 24 THR D CB 5224 O OG1 . THR D 24 ? 0.3126 0.4187 0.2154 -0.0954 0.0758 -0.0835 24 THR D OG1 5225 C CG2 . THR D 24 ? 0.3241 0.4129 0.2212 -0.0553 0.0569 -0.1043 24 THR D CG2 5226 N N . PRO D 25 ? 0.4048 0.4990 0.2493 -0.0045 0.0382 -0.0885 25 PRO D N 5227 C CA . PRO D 25 ? 0.4226 0.5226 0.2715 0.0091 0.0374 -0.1095 25 PRO D CA 5228 C C . PRO D 25 ? 0.4250 0.5350 0.2899 0.0179 0.0447 -0.1313 25 PRO D C 5229 O O . PRO D 25 ? 0.4381 0.5584 0.2955 0.0113 0.0432 -0.1430 25 PRO D O 5230 C CB . PRO D 25 ? 0.4280 0.5259 0.2702 0.0155 0.0380 -0.1104 25 PRO D CB 5231 C CG . PRO D 25 ? 0.4312 0.5192 0.2673 0.0095 0.0362 -0.1054 25 PRO D CG 5232 C CD . PRO D 25 ? 0.4229 0.5096 0.2591 0.0012 0.0328 -0.0982 25 PRO D CD 5233 N N . LEU D 26 ? 0.4088 0.5168 0.3042 0.0300 0.0597 -0.1385 26 LEU D N 5234 C CA . LEU D 26 ? 0.4005 0.5065 0.3328 0.0414 0.0677 -0.1342 26 LEU D CA 5235 C C . LEU D 26 ? 0.3849 0.4948 0.3474 0.0351 0.0706 -0.1401 26 LEU D C 5236 O O . LEU D 26 ? 0.3885 0.4837 0.3518 0.0172 0.0716 -0.1374 26 LEU D O 5237 C CB . LEU D 26 ? 0.4101 0.5260 0.3556 0.0452 0.0593 -0.1174 26 LEU D CB 5238 C CG . LEU D 26 ? 0.4192 0.5357 0.3708 0.0445 0.0531 -0.1094 26 LEU D CG 5239 C CD1 . LEU D 26 ? 0.4242 0.5364 0.3706 0.0494 0.0497 -0.1077 26 LEU D CD1 5240 C CD2 . LEU D 26 ? 0.4225 0.5397 0.3820 0.0415 0.0555 -0.1046 26 LEU D CD2 5241 N N . GLU D 27 ? 0.3707 0.4930 0.3527 0.0367 0.0702 -0.1432 27 GLU D N 5242 C CA . GLU D 27 ? 0.3716 0.4945 0.3636 0.0429 0.0819 -0.1434 27 GLU D CA 5243 C C . GLU D 27 ? 0.3481 0.4532 0.3490 0.0330 0.0849 -0.1404 27 GLU D C 5244 O O . GLU D 27 ? 0.3514 0.4679 0.3571 0.0075 0.0722 -0.1395 27 GLU D O 5245 C CB . GLU D 27 ? 0.4058 0.5478 0.3958 0.0464 0.0787 -0.1347 27 GLU D CB 5246 C CG . GLU D 27 ? 0.4420 0.5997 0.4252 0.0423 0.0690 -0.1221 27 GLU D CG 5247 C CD . GLU D 27 ? 0.4777 0.6407 0.4504 0.0251 0.0575 -0.1113 27 GLU D CD 5248 O OE1 . GLU D 27 ? 0.4857 0.6467 0.4602 0.0345 0.0560 -0.1105 27 GLU D OE1 5249 O OE2 . GLU D 27 ? 0.4964 0.6610 0.4611 0.0090 0.0526 -0.1066 27 GLU D OE2 5250 N N . LYS D 28 ? 0.3275 0.4135 0.3310 0.0492 0.0872 -0.1344 28 LYS D N 5251 C CA . LYS D 28 ? 0.3104 0.3930 0.3147 0.0556 0.0930 -0.1159 28 LYS D CA 5252 C C . LYS D 28 ? 0.2561 0.3494 0.2729 0.0432 0.1015 -0.0816 28 LYS D C 5253 O O . LYS D 28 ? 0.2682 0.3522 0.2558 0.0493 0.0914 -0.0741 28 LYS D O 5254 C CB . LYS D 28 ? 0.3500 0.4241 0.3413 0.0689 0.0894 -0.1288 28 LYS D CB 5255 C CG . LYS D 28 ? 0.3968 0.4636 0.3745 0.0613 0.0699 -0.1315 28 LYS D CG 5256 C CD . LYS D 28 ? 0.4355 0.5097 0.4069 0.0441 0.0570 -0.1211 28 LYS D CD 5257 C CE . LYS D 28 ? 0.4620 0.5429 0.4308 0.0250 0.0492 -0.1168 28 LYS D CE 5258 N NZ . LYS D 28 ? 0.4793 0.5656 0.4454 0.0127 0.0446 -0.1119 28 LYS D NZ 5259 N N . PRO D 29 ? 0.2065 0.3132 0.2490 0.0186 0.1125 -0.0566 29 PRO D N 5260 C CA . PRO D 29 ? 0.1859 0.2756 0.2339 0.0176 0.0935 -0.0433 29 PRO D CA 5261 C C . PRO D 29 ? 0.1799 0.2381 0.2033 0.0207 0.0731 -0.0314 29 PRO D C 5262 O O . PRO D 29 ? 0.1987 0.2514 0.2080 0.0039 0.0832 -0.0234 29 PRO D O 5263 C CB . PRO D 29 ? 0.1878 0.2991 0.2515 0.0117 0.1029 -0.0285 29 PRO D CB 5264 C CG . PRO D 29 ? 0.1989 0.3269 0.2657 0.0135 0.1080 -0.0217 29 PRO D CG 5265 C CD . PRO D 29 ? 0.2018 0.3213 0.2576 0.0113 0.1177 -0.0345 29 PRO D CD 5266 N N . LEU D 30 ? 0.1531 0.2014 0.1720 0.0447 0.0484 -0.0119 30 LEU D N 5267 C CA . LEU D 30 ? 0.1739 0.1906 0.1653 0.0379 0.0315 0.0171 30 LEU D CA 5268 C C . LEU D 30 ? 0.1592 0.1782 0.1386 0.0220 0.0425 0.0231 30 LEU D C 5269 O O . LEU D 30 ? 0.1626 0.1628 0.1438 0.0091 0.0289 0.0103 30 LEU D O 5270 C CB . LEU D 30 ? 0.2377 0.2153 0.1877 0.0260 0.0074 0.0212 30 LEU D CB 5271 C CG . LEU D 30 ? 0.2852 0.2357 0.2059 -0.0135 -0.0084 0.0271 30 LEU D CG 5272 C CD1 . LEU D 30 ? 0.3009 0.2504 0.2013 -0.0380 -0.0151 0.0280 30 LEU D CD1 5273 C CD2 . LEU D 30 ? 0.3075 0.2294 0.2197 -0.0283 -0.0128 0.0386 30 LEU D CD2 5274 N N . GLN D 31 ? 0.1535 0.1858 0.1232 0.0020 0.0526 0.0144 31 GLN D N 5275 C CA . GLN D 31 ? 0.1512 0.2036 0.1161 -0.0025 0.0457 0.0107 31 GLN D CA 5276 C C . GLN D 31 ? 0.1267 0.1569 0.0875 0.0176 0.0233 0.0136 31 GLN D C 5277 O O . GLN D 31 ? 0.1221 0.1499 0.1031 0.0253 0.0073 0.0250 31 GLN D O 5278 C CB . GLN D 31 ? 0.2012 0.2938 0.1357 -0.0132 0.0537 0.0039 31 GLN D CB 5279 C CG . GLN D 31 ? 0.2737 0.3940 0.1656 -0.0050 0.0364 -0.0289 31 GLN D CG 5280 C CD . GLN D 31 ? 0.3304 0.4736 0.1834 0.0136 0.0219 -0.0647 31 GLN D CD 5281 O OE1 . GLN D 31 ? 0.3580 0.4919 0.1680 0.0292 0.0319 -0.1013 31 GLN D OE1 5282 N NE2 . GLN D 31 ? 0.3455 0.4958 0.1891 0.0087 -0.0015 -0.0570 31 GLN D NE2 5283 N N . ASN D 32 ? 0.1209 0.1325 0.0568 0.0347 0.0192 0.0019 32 ASN D N 5284 C CA . ASN D 32 ? 0.1111 0.1144 0.0407 0.0241 0.0104 -0.0072 32 ASN D CA 5285 C C . ASN D 32 ? 0.0983 0.0979 0.0466 0.0306 0.0086 -0.0200 32 ASN D C 5286 O O . ASN D 32 ? 0.1270 0.1442 0.0635 0.0466 0.0146 -0.0221 32 ASN D O 5287 C CB . ASN D 32 ? 0.1260 0.1304 0.0517 -0.0013 0.0038 -0.0074 32 ASN D CB 5288 C CG . ASN D 32 ? 0.1596 0.1749 0.0800 0.0031 -0.0152 -0.0190 32 ASN D CG 5289 O OD1 . ASN D 32 ? 0.1526 0.1659 0.0864 0.0138 -0.0137 -0.0270 32 ASN D OD1 5290 N ND2 . ASN D 32 ? 0.2125 0.2247 0.1030 -0.0011 -0.0425 -0.0519 32 ASN D ND2 5291 N N . PHE D 33 ? 0.0924 0.0726 0.0381 0.0211 0.0139 -0.0117 33 PHE D N 5292 C CA . PHE D 33 ? 0.1055 0.0674 0.0362 0.0109 0.0148 -0.0104 33 PHE D CA 5293 C C . PHE D 33 ? 0.0991 0.0689 0.0366 0.0116 0.0070 -0.0175 33 PHE D C 5294 O O . PHE D 33 ? 0.0993 0.0837 0.0285 0.0069 0.0029 -0.0088 33 PHE D O 5295 C CB . PHE D 33 ? 0.1110 0.0850 0.0449 0.0140 0.0207 -0.0075 33 PHE D CB 5296 C CG . PHE D 33 ? 0.1316 0.0955 0.0479 0.0092 0.0203 -0.0098 33 PHE D CG 5297 C CD1 . PHE D 33 ? 0.1527 0.1024 0.0540 0.0083 0.0178 -0.0244 33 PHE D CD1 5298 C CD2 . PHE D 33 ? 0.1293 0.0985 0.0639 -0.0136 0.0148 -0.0109 33 PHE D CD2 5299 C CE1 . PHE D 33 ? 0.1596 0.1067 0.0544 -0.0041 0.0092 -0.0282 33 PHE D CE1 5300 C CE2 . PHE D 33 ? 0.1363 0.0855 0.0636 -0.0166 0.0055 -0.0194 33 PHE D CE2 5301 C CZ . PHE D 33 ? 0.1471 0.0817 0.0628 0.0023 -0.0080 -0.0243 33 PHE D CZ 5302 N N . THR D 34 ? 0.0923 0.0662 0.0281 0.0073 0.0107 -0.0057 34 THR D N 5303 C CA . THR D 34 ? 0.0854 0.0637 0.0294 0.0084 0.0111 -0.0105 34 THR D CA 5304 C C . THR D 34 ? 0.0820 0.0720 0.0354 0.0132 0.0150 -0.0145 34 THR D C 5305 O O . THR D 34 ? 0.0887 0.0875 0.0408 0.0151 0.0092 -0.0233 34 THR D O 5306 C CB . THR D 34 ? 0.0993 0.0940 0.0304 -0.0155 0.0056 -0.0052 34 THR D CB 5307 O OG1 . THR D 34 ? 0.1299 0.1114 0.0363 -0.0079 0.0055 -0.0097 34 THR D OG1 5308 C CG2 . THR D 34 ? 0.1046 0.1155 0.0350 -0.0181 0.0089 0.0010 34 THR D CG2 5309 N N . LEU D 35 ? 0.0774 0.0463 0.0409 0.0177 0.0165 -0.0091 35 LEU D N 5310 C CA . LEU D 35 ? 0.0778 0.0533 0.0482 0.0142 0.0067 -0.0060 35 LEU D CA 5311 C C . LEU D 35 ? 0.0756 0.0680 0.0447 0.0210 0.0051 -0.0158 35 LEU D C 5312 O O . LEU D 35 ? 0.0843 0.0969 0.0435 0.0025 0.0017 -0.0025 35 LEU D O 5313 C CB . LEU D 35 ? 0.0944 0.0749 0.0685 0.0077 0.0004 -0.0265 35 LEU D CB 5314 C CG . LEU D 35 ? 0.1122 0.1008 0.1059 0.0000 0.0089 -0.0487 35 LEU D CG 5315 C CD1 . LEU D 35 ? 0.1319 0.1312 0.1164 0.0029 -0.0038 -0.0313 35 LEU D CD1 5316 C CD2 . LEU D 35 ? 0.1127 0.1247 0.1355 -0.0230 0.0154 -0.0582 35 LEU D CD2 5317 N N A CYS D 36 ? 0.0672 0.0588 0.0496 0.0254 0.0160 -0.0107 36 CYS D N 5318 N N B CYS D 36 ? 0.0813 0.0795 0.0549 0.0241 0.0211 -0.0185 36 CYS D N 5319 C CA A CYS D 36 ? 0.0720 0.0781 0.0381 0.0375 0.0010 -0.0104 36 CYS D CA 5320 C CA B CYS D 36 ? 0.0881 0.1065 0.0571 0.0240 0.0219 -0.0207 36 CYS D CA 5321 C C A CYS D 36 ? 0.0638 0.0799 0.0340 0.0099 0.0130 -0.0160 36 CYS D C 5322 C C B CYS D 36 ? 0.0816 0.0989 0.0421 0.0102 0.0216 -0.0163 36 CYS D C 5323 O O A CYS D 36 ? 0.0644 0.0651 0.0337 0.0032 0.0040 -0.0232 36 CYS D O 5324 O O B CYS D 36 ? 0.0906 0.1008 0.0360 0.0007 0.0219 -0.0130 36 CYS D O 5325 C CB A CYS D 36 ? 0.1013 0.1136 0.0433 0.0219 -0.0067 -0.0001 36 CYS D CB 5326 C CB B CYS D 36 ? 0.1067 0.1375 0.0816 0.0048 0.0223 -0.0239 36 CYS D CB 5327 S SG A CYS D 36 ? 0.1456 0.1233 0.0688 0.0038 -0.0069 -0.0206 36 CYS D SG 5328 S SG B CYS D 36 ? 0.1298 0.1529 0.1054 -0.0023 0.0162 -0.0276 36 CYS D SG 5329 N N . PHE D 37 ? 0.0657 0.0815 0.0373 0.0090 0.0131 -0.0199 37 PHE D N 5330 C CA . PHE D 37 ? 0.0662 0.0785 0.0318 0.0135 0.0086 -0.0155 37 PHE D CA 5331 C C . PHE D 37 ? 0.0673 0.0832 0.0333 0.0140 0.0080 -0.0168 37 PHE D C 5332 O O . PHE D 37 ? 0.0743 0.1036 0.0325 0.0065 0.0053 -0.0008 37 PHE D O 5333 C CB . PHE D 37 ? 0.0831 0.0871 0.0467 0.0267 0.0114 -0.0179 37 PHE D CB 5334 C CG . PHE D 37 ? 0.1236 0.0826 0.0760 0.0203 0.0103 -0.0330 37 PHE D CG 5335 C CD1 . PHE D 37 ? 0.1413 0.0909 0.0919 0.0324 -0.0053 -0.0197 37 PHE D CD1 5336 C CD2 . PHE D 37 ? 0.1498 0.0884 0.1091 0.0102 0.0044 -0.0387 37 PHE D CD2 5337 C CE1 . PHE D 37 ? 0.1642 0.0957 0.1111 0.0164 -0.0199 -0.0196 37 PHE D CE1 5338 C CE2 . PHE D 37 ? 0.1577 0.0698 0.1233 0.0160 -0.0094 -0.0326 37 PHE D CE2 5339 C CZ . PHE D 37 ? 0.1611 0.0650 0.1277 0.0189 -0.0213 -0.0221 37 PHE D CZ 5340 N N . ARG D 38 ? 0.0667 0.0718 0.0253 0.0206 0.0021 -0.0059 38 ARG D N 5341 C CA . ARG D 38 ? 0.0758 0.0918 0.0341 -0.0012 0.0157 -0.0155 38 ARG D CA 5342 C C . ARG D 38 ? 0.0693 0.0874 0.0370 0.0004 0.0018 -0.0259 38 ARG D C 5343 O O . ARG D 38 ? 0.0869 0.1169 0.0593 0.0147 -0.0015 -0.0415 38 ARG D O 5344 C CB . ARG D 38 ? 0.1326 0.1253 0.0813 -0.0255 0.0289 0.0017 38 ARG D CB 5345 C CG . ARG D 38 ? 0.1781 0.1529 0.1366 -0.0089 0.0254 0.0327 38 ARG D CG 5346 C CD . ARG D 38 ? 0.1968 0.1409 0.1663 -0.0024 0.0207 0.0579 38 ARG D CD 5347 N NE . ARG D 38 ? 0.2068 0.1393 0.1807 0.0186 0.0171 0.0496 38 ARG D NE 5348 C CZ . ARG D 38 ? 0.2081 0.1449 0.2062 0.0192 -0.0034 0.0408 38 ARG D CZ 5349 N NH1 . ARG D 38 ? 0.2040 0.1190 0.2000 0.0019 -0.0052 0.0681 38 ARG D NH1 5350 N NH2 . ARG D 38 ? 0.2210 0.2029 0.2344 0.0381 -0.0116 -0.0174 38 ARG D NH2 5351 N N . ALA D 39 ? 0.0619 0.0801 0.0279 -0.0082 0.0037 -0.0159 39 ALA D N 5352 C CA . ALA D 39 ? 0.0658 0.0759 0.0336 -0.0144 0.0088 -0.0206 39 ALA D CA 5353 C C . ALA D 39 ? 0.0457 0.0772 0.0280 -0.0138 0.0028 -0.0161 39 ALA D C 5354 O O . ALA D 39 ? 0.0718 0.1188 0.0359 -0.0154 0.0012 -0.0158 39 ALA D O 5355 C CB . ALA D 39 ? 0.0882 0.0919 0.0457 -0.0038 0.0225 -0.0239 39 ALA D CB 5356 N N . TYR D 40 ? 0.0567 0.0684 0.0305 -0.0038 0.0078 -0.0198 40 TYR D N 5357 C CA . TYR D 40 ? 0.0647 0.0602 0.0243 0.0042 0.0034 -0.0149 40 TYR D CA 5358 C C . TYR D 40 ? 0.0692 0.0612 0.0262 0.0140 -0.0080 -0.0120 40 TYR D C 5359 O O . TYR D 40 ? 0.0765 0.0940 0.0355 0.0153 0.0026 -0.0202 40 TYR D O 5360 C CB . TYR D 40 ? 0.0702 0.0675 0.0217 0.0040 0.0033 -0.0088 40 TYR D CB 5361 C CG . TYR D 40 ? 0.0690 0.0751 0.0256 -0.0031 -0.0014 -0.0148 40 TYR D CG 5362 C CD1 . TYR D 40 ? 0.0803 0.0837 0.0229 0.0009 -0.0046 -0.0019 40 TYR D CD1 5363 C CD2 . TYR D 40 ? 0.0765 0.0764 0.0349 0.0034 0.0093 -0.0191 40 TYR D CD2 5364 C CE1 . TYR D 40 ? 0.0714 0.0879 0.0244 0.0067 -0.0028 0.0036 40 TYR D CE1 5365 C CE2 . TYR D 40 ? 0.0878 0.0798 0.0248 -0.0020 -0.0045 -0.0071 40 TYR D CE2 5366 C CZ . TYR D 40 ? 0.0750 0.0817 0.0224 0.0004 0.0027 -0.0023 40 TYR D CZ 5367 O OH . TYR D 40 ? 0.0944 0.1181 0.0327 0.0143 -0.0016 0.0021 40 TYR D OH 5368 N N . SER D 41 ? 0.0795 0.0615 0.0314 0.0122 0.0023 -0.0030 41 SER D N 5369 C CA . SER D 41 ? 0.0843 0.0623 0.0350 0.0137 0.0002 -0.0128 41 SER D CA 5370 C C . SER D 41 ? 0.0884 0.0650 0.0569 0.0201 0.0112 -0.0198 41 SER D C 5371 O O . SER D 41 ? 0.1071 0.1221 0.1054 0.0267 0.0149 -0.0436 41 SER D O 5372 C CB . SER D 41 ? 0.1015 0.0836 0.0289 0.0009 -0.0035 -0.0103 41 SER D CB 5373 O OG . SER D 41 ? 0.1088 0.0923 0.0360 -0.0052 0.0094 -0.0185 41 SER D OG 5374 N N . ASP D 42 ? 0.0975 0.0544 0.0501 0.0190 0.0159 -0.0154 42 ASP D N 5375 C CA . ASP D 42 ? 0.1070 0.0801 0.0416 0.0270 0.0176 -0.0068 42 ASP D CA 5376 C C . ASP D 42 ? 0.1192 0.0843 0.0458 0.0198 0.0213 0.0018 42 ASP D C 5377 O O . ASP D 42 ? 0.1336 0.0978 0.0499 0.0210 0.0205 -0.0128 42 ASP D O 5378 C CB . ASP D 42 ? 0.1236 0.1196 0.0369 0.0105 0.0114 -0.0074 42 ASP D CB 5379 C CG . ASP D 42 ? 0.1365 0.1447 0.0446 0.0162 0.0165 -0.0070 42 ASP D CG 5380 O OD1 . ASP D 42 ? 0.1419 0.1724 0.0541 0.0009 0.0094 0.0125 42 ASP D OD1 5381 O OD2 . ASP D 42 ? 0.1382 0.1554 0.0441 0.0109 0.0108 -0.0105 42 ASP D OD2 5382 N N . LEU D 43 ? 0.1181 0.0646 0.0517 0.0005 0.0286 -0.0074 43 LEU D N 5383 C CA . LEU D 43 ? 0.1148 0.0637 0.0661 0.0128 0.0182 0.0034 43 LEU D CA 5384 C C . LEU D 43 ? 0.1230 0.0942 0.0972 0.0293 0.0169 0.0116 43 LEU D C 5385 O O . LEU D 43 ? 0.1275 0.1031 0.1108 0.0314 0.0151 0.0250 43 LEU D O 5386 C CB . LEU D 43 ? 0.1209 0.0894 0.0655 -0.0155 0.0108 -0.0177 43 LEU D CB 5387 C CG . LEU D 43 ? 0.1108 0.0858 0.0642 -0.0093 0.0002 -0.0002 43 LEU D CG 5388 C CD1 . LEU D 43 ? 0.1132 0.0938 0.0599 -0.0041 -0.0017 0.0006 43 LEU D CD1 5389 C CD2 . LEU D 43 ? 0.1065 0.1258 0.0801 -0.0180 0.0017 -0.0086 43 LEU D CD2 5390 N N . SER D 44 ? 0.1480 0.1177 0.1233 0.0449 0.0250 0.0165 44 SER D N 5391 C CA . SER D 44 ? 0.1594 0.1486 0.1495 0.0624 0.0455 0.0133 44 SER D CA 5392 C C . SER D 44 ? 0.1655 0.1315 0.1370 0.0532 0.0191 0.0075 44 SER D C 5393 O O . SER D 44 ? 0.1803 0.1422 0.1577 0.0328 0.0105 0.0210 44 SER D O 5394 C CB . SER D 44 ? 0.1839 0.2176 0.1901 0.0727 0.0785 0.0216 44 SER D CB 5395 O OG . SER D 44 ? 0.2203 0.2814 0.2330 0.0599 0.0795 -0.0018 44 SER D OG 5396 N N . ARG D 45 ? 0.1690 0.0903 0.1069 0.0458 0.0155 0.0075 45 ARG D N 5397 C CA . ARG D 45 ? 0.1710 0.0800 0.0993 0.0422 0.0072 0.0126 45 ARG D CA 5398 C C . ARG D 45 ? 0.1612 0.0903 0.0898 0.0322 -0.0034 0.0062 45 ARG D C 5399 O O . ARG D 45 ? 0.1608 0.1093 0.0860 0.0123 -0.0017 -0.0190 45 ARG D O 5400 C CB . ARG D 45 ? 0.1800 0.0848 0.1011 0.0318 0.0181 0.0073 45 ARG D CB 5401 C CG . ARG D 45 ? 0.1790 0.1277 0.1060 0.0312 0.0071 -0.0045 45 ARG D CG 5402 C CD . ARG D 45 ? 0.1800 0.1027 0.1085 0.0231 0.0006 -0.0115 45 ARG D CD 5403 N NE . ARG D 45 ? 0.1675 0.1098 0.1053 0.0032 0.0020 -0.0233 45 ARG D NE 5404 C CZ . ARG D 45 ? 0.1498 0.1012 0.0806 -0.0109 0.0128 -0.0043 45 ARG D CZ 5405 N NH1 . ARG D 45 ? 0.1449 0.0754 0.0566 -0.0056 0.0196 0.0136 45 ARG D NH1 5406 N NH2 . ARG D 45 ? 0.1342 0.1356 0.0830 -0.0193 0.0070 -0.0043 45 ARG D NH2 5407 N N . ALA D 46 ? 0.1746 0.1112 0.0891 0.0141 -0.0070 0.0073 46 ALA D N 5408 C CA . ALA D 46 ? 0.1692 0.1168 0.0917 0.0314 -0.0050 0.0032 46 ALA D CA 5409 C C . ALA D 46 ? 0.1533 0.1204 0.0806 0.0182 -0.0039 -0.0059 46 ALA D C 5410 O O . ALA D 46 ? 0.1744 0.1220 0.0752 0.0121 -0.0059 -0.0124 46 ALA D O 5411 C CB . ALA D 46 ? 0.1973 0.1542 0.1197 0.0294 0.0031 0.0169 46 ALA D CB 5412 N N . TYR D 47 ? 0.1323 0.1052 0.0620 0.0144 -0.0006 -0.0132 47 TYR D N 5413 C CA . TYR D 47 ? 0.1127 0.0872 0.0559 -0.0068 -0.0100 -0.0025 47 TYR D CA 5414 C C . TYR D 47 ? 0.1040 0.0955 0.0600 0.0002 0.0066 0.0062 47 TYR D C 5415 O O . TYR D 47 ? 0.1033 0.1253 0.0621 -0.0183 -0.0044 0.0127 47 TYR D O 5416 C CB . TYR D 47 ? 0.1323 0.0977 0.0588 0.0059 -0.0160 0.0008 47 TYR D CB 5417 C CG . TYR D 47 ? 0.1300 0.0713 0.0615 0.0162 -0.0162 0.0129 47 TYR D CG 5418 C CD1 . TYR D 47 ? 0.1290 0.0805 0.0596 0.0290 -0.0166 0.0145 47 TYR D CD1 5419 C CD2 . TYR D 47 ? 0.1320 0.0624 0.0749 0.0184 -0.0138 -0.0118 47 TYR D CD2 5420 C CE1 . TYR D 47 ? 0.1345 0.0826 0.0629 0.0314 -0.0054 0.0037 47 TYR D CE1 5421 C CE2 . TYR D 47 ? 0.1377 0.0835 0.0776 0.0222 0.0018 -0.0073 47 TYR D CE2 5422 C CZ . TYR D 47 ? 0.1357 0.0949 0.0793 0.0090 -0.0002 0.0090 47 TYR D CZ 5423 O OH . TYR D 47 ? 0.1259 0.1181 0.1049 -0.0059 -0.0084 0.0133 47 TYR D OH 5424 N N . SER D 48 ? 0.1042 0.0709 0.0610 0.0024 0.0206 0.0108 48 SER D N 5425 C CA . SER D 48 ? 0.1116 0.0947 0.0505 -0.0049 0.0185 0.0178 48 SER D CA 5426 C C . SER D 48 ? 0.1030 0.0860 0.0408 -0.0151 0.0080 0.0137 48 SER D C 5427 O O . SER D 48 ? 0.1180 0.0923 0.0644 -0.0209 -0.0129 0.0169 48 SER D O 5428 C CB . SER D 48 ? 0.1122 0.1262 0.0692 -0.0222 0.0306 0.0207 48 SER D CB 5429 O OG . SER D 48 ? 0.1116 0.1660 0.0735 -0.0229 0.0335 0.0240 48 SER D OG 5430 N N . LEU D 49 ? 0.0918 0.0794 0.0440 -0.0091 0.0041 0.0136 49 LEU D N 5431 C CA . LEU D 49 ? 0.1028 0.0839 0.0357 -0.0175 0.0004 0.0168 49 LEU D CA 5432 C C . LEU D 49 ? 0.0998 0.0852 0.0423 -0.0211 0.0009 0.0146 49 LEU D C 5433 O O . LEU D 49 ? 0.1197 0.1088 0.0522 -0.0015 0.0114 0.0269 49 LEU D O 5434 C CB . LEU D 49 ? 0.1218 0.1005 0.0402 -0.0356 0.0090 0.0016 49 LEU D CB 5435 C CG . LEU D 49 ? 0.1482 0.1233 0.0603 -0.0481 0.0318 -0.0157 49 LEU D CG 5436 C CD1 . LEU D 49 ? 0.1602 0.1618 0.0845 -0.0559 0.0400 -0.0444 49 LEU D CD1 5437 C CD2 . LEU D 49 ? 0.1796 0.1303 0.0762 -0.0313 0.0513 -0.0131 49 LEU D CD2 5438 N N . PHE D 50 ? 0.0793 0.0700 0.0442 -0.0053 0.0104 0.0176 50 PHE D N 5439 C CA . PHE D 50 ? 0.0868 0.0639 0.0562 -0.0063 0.0132 0.0094 50 PHE D CA 5440 C C . PHE D 50 ? 0.0624 0.0723 0.0519 -0.0114 0.0151 0.0132 50 PHE D C 5441 O O . PHE D 50 ? 0.0603 0.0946 0.0649 -0.0072 0.0079 0.0132 50 PHE D O 5442 C CB . PHE D 50 ? 0.1020 0.0558 0.0619 -0.0097 0.0094 0.0076 50 PHE D CB 5443 C CG . PHE D 50 ? 0.1035 0.0586 0.0670 -0.0207 0.0207 0.0085 50 PHE D CG 5444 C CD1 . PHE D 50 ? 0.1085 0.0772 0.0641 -0.0127 0.0268 0.0145 50 PHE D CD1 5445 C CD2 . PHE D 50 ? 0.1032 0.0778 0.0826 -0.0172 0.0262 0.0010 50 PHE D CD2 5446 C CE1 . PHE D 50 ? 0.1000 0.0919 0.0740 -0.0024 0.0254 0.0175 50 PHE D CE1 5447 C CE2 . PHE D 50 ? 0.1011 0.0725 0.0847 -0.0188 0.0231 -0.0033 50 PHE D CE2 5448 C CZ . PHE D 50 ? 0.1120 0.0889 0.0877 -0.0172 0.0335 -0.0007 50 PHE D CZ 5449 N N . SER D 51 ? 0.0760 0.0601 0.0545 -0.0032 0.0134 0.0092 51 SER D N 5450 C CA . SER D 51 ? 0.0707 0.0760 0.0455 -0.0112 0.0240 0.0177 51 SER D CA 5451 C C . SER D 51 ? 0.0699 0.0578 0.0425 -0.0096 0.0132 0.0234 51 SER D C 5452 O O . SER D 51 ? 0.0807 0.0831 0.0554 0.0100 0.0055 0.0241 51 SER D O 5453 C CB . SER D 51 ? 0.0870 0.0787 0.0575 -0.0238 0.0284 0.0119 51 SER D CB 5454 O OG . SER D 51 ? 0.1086 0.1085 0.0470 -0.0269 0.0195 0.0082 51 SER D OG 5455 N N . TYR D 52 ? 0.0838 0.0734 0.0417 0.0151 0.0166 0.0205 52 TYR D N 5456 C CA . TYR D 52 ? 0.0805 0.0905 0.0487 0.0060 0.0212 0.0095 52 TYR D CA 5457 C C . TYR D 52 ? 0.0712 0.0948 0.0457 0.0058 0.0288 0.0071 52 TYR D C 5458 O O . TYR D 52 ? 0.0935 0.0970 0.0492 0.0021 0.0218 0.0073 52 TYR D O 5459 C CB . TYR D 52 ? 0.0869 0.0905 0.0511 -0.0124 0.0117 0.0035 52 TYR D CB 5460 C CG . TYR D 52 ? 0.1003 0.0824 0.0701 -0.0072 0.0228 -0.0050 52 TYR D CG 5461 C CD1 . TYR D 52 ? 0.1114 0.0970 0.0745 -0.0108 0.0231 -0.0190 52 TYR D CD1 5462 C CD2 . TYR D 52 ? 0.1094 0.0693 0.0835 -0.0081 0.0269 -0.0079 52 TYR D CD2 5463 C CE1 . TYR D 52 ? 0.1184 0.1103 0.0810 -0.0117 0.0186 -0.0252 52 TYR D CE1 5464 C CE2 . TYR D 52 ? 0.1261 0.1002 0.1020 -0.0009 0.0330 -0.0012 52 TYR D CE2 5465 C CZ . TYR D 52 ? 0.1345 0.1317 0.0858 -0.0074 0.0196 -0.0260 52 TYR D CZ 5466 O OH . TYR D 52 ? 0.1566 0.1474 0.1009 -0.0205 0.0313 -0.0445 52 TYR D OH 5467 N N . ASN D 53 ? 0.0819 0.1032 0.0501 0.0032 0.0157 0.0128 53 ASN D N 5468 C CA . ASN D 53 ? 0.0926 0.0892 0.0561 -0.0007 0.0200 0.0107 53 ASN D CA 5469 C C . ASN D 53 ? 0.1030 0.1067 0.0558 -0.0048 0.0215 0.0142 53 ASN D C 5470 O O . ASN D 53 ? 0.1091 0.1264 0.0668 -0.0045 0.0214 0.0138 53 ASN D O 5471 C CB . ASN D 53 ? 0.1076 0.0947 0.0603 -0.0278 0.0263 0.0145 53 ASN D CB 5472 C CG . ASN D 53 ? 0.1068 0.0800 0.0576 -0.0237 0.0122 0.0185 53 ASN D CG 5473 O OD1 . ASN D 53 ? 0.1267 0.0987 0.0608 0.0042 0.0134 0.0146 53 ASN D OD1 5474 N ND2 . ASN D 53 ? 0.1127 0.1015 0.0725 -0.0271 0.0176 -0.0020 53 ASN D ND2 5475 N N . THR D 54 ? 0.1141 0.1033 0.0535 0.0053 0.0317 0.0219 54 THR D N 5476 C CA . THR D 54 ? 0.1446 0.1178 0.0623 0.0061 0.0349 0.0169 54 THR D CA 5477 C C . THR D 54 ? 0.1513 0.1242 0.0745 -0.0064 0.0409 0.0195 54 THR D C 5478 O O . THR D 54 ? 0.1595 0.1114 0.0865 -0.0373 0.0387 0.0229 54 THR D O 5479 C CB . THR D 54 ? 0.1676 0.1172 0.0825 0.0049 0.0168 0.0231 54 THR D CB 5480 O OG1 . THR D 54 ? 0.1956 0.1238 0.1102 -0.0024 0.0156 0.0011 54 THR D OG1 5481 C CG2 . THR D 54 ? 0.1437 0.1102 0.0811 0.0026 0.0043 0.0277 54 THR D CG2 5482 N N . GLN D 55 ? 0.1664 0.1618 0.0983 -0.0129 0.0508 0.0381 55 GLN D N 5483 C CA . GLN D 55 ? 0.1904 0.1943 0.1322 -0.0220 0.0624 0.0388 55 GLN D CA 5484 C C . GLN D 55 ? 0.1901 0.1894 0.1213 -0.0309 0.0496 0.0627 55 GLN D C 5485 O O . GLN D 55 ? 0.1919 0.2122 0.1265 -0.0348 0.0436 0.0565 55 GLN D O 5486 C CB . GLN D 55 ? 0.2076 0.2444 0.1707 -0.0500 0.0795 0.0311 55 GLN D CB 5487 C CG . GLN D 55 ? 0.2398 0.3193 0.2235 -0.0473 0.0594 0.0191 55 GLN D CG 5488 C CD . GLN D 55 ? 0.2600 0.3823 0.2619 -0.0437 0.0493 0.0072 55 GLN D CD 5489 O OE1 . GLN D 55 ? 0.2634 0.4036 0.2784 -0.0568 0.0684 0.0070 55 GLN D OE1 5490 N NE2 . GLN D 55 ? 0.2761 0.4086 0.2775 -0.0294 0.0313 0.0115 55 GLN D NE2 5491 N N . GLY D 56 ? 0.1871 0.1645 0.1246 -0.0482 0.0301 0.0607 56 GLY D N 5492 C CA . GLY D 56 ? 0.1904 0.1611 0.1208 -0.0493 0.0260 0.0568 56 GLY D CA 5493 C C . GLY D 56 ? 0.1894 0.1300 0.1146 -0.0411 0.0225 0.0511 56 GLY D C 5494 O O . GLY D 56 ? 0.2116 0.1440 0.1292 -0.0444 0.0128 0.0362 56 GLY D O 5495 N N . ARG D 57 ? 0.1773 0.1138 0.1027 -0.0436 0.0219 0.0360 57 ARG D N 5496 C CA . ARG D 57 ? 0.1694 0.1249 0.0974 -0.0278 0.0234 0.0210 57 ARG D CA 5497 C C . ARG D 57 ? 0.1531 0.1267 0.0778 -0.0098 0.0133 0.0273 57 ARG D C 5498 O O . ARG D 57 ? 0.1709 0.1401 0.0835 0.0197 0.0319 0.0477 57 ARG D O 5499 C CB . ARG D 57 ? 0.1649 0.1183 0.0922 -0.0391 0.0235 0.0141 57 ARG D CB 5500 C CG . ARG D 57 ? 0.1974 0.1673 0.1102 -0.0458 0.0296 -0.0160 57 ARG D CG 5501 C CD . ARG D 57 ? 0.2327 0.2472 0.1463 -0.0358 0.0297 -0.0022 57 ARG D CD 5502 N NE . ARG D 57 ? 0.2704 0.3076 0.1775 -0.0356 0.0330 0.0046 57 ARG D NE 5503 C CZ . ARG D 57 ? 0.2949 0.3382 0.2037 -0.0338 0.0323 0.0181 57 ARG D CZ 5504 N NH1 . ARG D 57 ? 0.3155 0.3481 0.1972 -0.0339 0.0499 0.0395 57 ARG D NH1 5505 N NH2 . ARG D 57 ? 0.2996 0.3430 0.2206 -0.0414 0.0212 0.0051 57 ARG D NH2 5506 N N . ASP D 58 ? 0.1383 0.1105 0.0562 -0.0279 0.0109 0.0225 58 ASP D N 5507 C CA . ASP D 58 ? 0.1314 0.0950 0.0592 -0.0234 0.0198 0.0254 58 ASP D CA 5508 C C . ASP D 58 ? 0.1220 0.0848 0.0568 -0.0242 0.0124 0.0260 58 ASP D C 5509 O O . ASP D 58 ? 0.1341 0.0850 0.0784 -0.0331 0.0051 0.0294 58 ASP D O 5510 C CB . ASP D 58 ? 0.1442 0.0965 0.0650 -0.0252 0.0220 0.0186 58 ASP D CB 5511 C CG . ASP D 58 ? 0.1270 0.0925 0.0728 -0.0227 0.0248 0.0241 58 ASP D CG 5512 O OD1 . ASP D 58 ? 0.1265 0.0992 0.0757 -0.0189 0.0064 0.0120 58 ASP D OD1 5513 O OD2 . ASP D 58 ? 0.1467 0.1007 0.0951 -0.0174 0.0232 0.0157 58 ASP D OD2 5514 N N . ASN D 59 ? 0.1102 0.0892 0.0494 -0.0294 0.0049 0.0233 59 ASN D N 5515 C CA . ASN D 59 ? 0.1107 0.0842 0.0512 -0.0195 0.0069 0.0230 59 ASN D CA 5516 C C . ASN D 59 ? 0.1157 0.0996 0.0437 -0.0010 0.0080 0.0193 59 ASN D C 5517 O O . ASN D 59 ? 0.1314 0.1050 0.0537 -0.0110 0.0088 0.0140 59 ASN D O 5518 C CB . ASN D 59 ? 0.1163 0.0941 0.0559 -0.0108 0.0148 0.0151 59 ASN D CB 5519 C CG . ASN D 59 ? 0.1215 0.1052 0.0565 0.0006 0.0214 0.0158 59 ASN D CG 5520 O OD1 . ASN D 59 ? 0.1229 0.1077 0.0525 -0.0152 0.0206 0.0215 59 ASN D OD1 5521 N ND2 . ASN D 59 ? 0.1394 0.1139 0.0667 -0.0079 0.0136 -0.0091 59 ASN D ND2 5522 N N . GLU D 60 ? 0.1059 0.1080 0.0435 -0.0051 0.0097 0.0233 60 GLU D N 5523 C CA . GLU D 60 ? 0.0984 0.0924 0.0502 -0.0109 0.0152 0.0120 60 GLU D CA 5524 C C . GLU D 60 ? 0.1036 0.0920 0.0487 -0.0175 0.0114 0.0037 60 GLU D C 5525 O O . GLU D 60 ? 0.1017 0.0935 0.0562 -0.0273 0.0079 0.0007 60 GLU D O 5526 C CB . GLU D 60 ? 0.1097 0.1315 0.0694 -0.0189 0.0231 0.0029 60 GLU D CB 5527 C CG . GLU D 60 ? 0.1272 0.1430 0.0676 -0.0244 0.0312 0.0099 60 GLU D CG 5528 C CD . GLU D 60 ? 0.1561 0.1682 0.0764 -0.0410 0.0304 -0.0060 60 GLU D CD 5529 O OE1 . GLU D 60 ? 0.1713 0.1936 0.0713 -0.0385 0.0320 0.0093 60 GLU D OE1 5530 O OE2 . GLU D 60 ? 0.1813 0.1754 0.0934 -0.0433 0.0221 -0.0204 60 GLU D OE2 5531 N N . LEU D 61 ? 0.0957 0.0743 0.0469 -0.0257 0.0224 0.0085 61 LEU D N 5532 C CA . LEU D 61 ? 0.1056 0.0809 0.0476 -0.0101 0.0178 0.0095 61 LEU D CA 5533 C C . LEU D 61 ? 0.0930 0.0920 0.0430 -0.0029 0.0121 0.0109 61 LEU D C 5534 O O . LEU D 61 ? 0.1096 0.1099 0.0722 0.0131 0.0106 0.0007 61 LEU D O 5535 C CB . LEU D 61 ? 0.1262 0.0776 0.0767 -0.0132 0.0223 0.0114 61 LEU D CB 5536 C CG . LEU D 61 ? 0.1486 0.0900 0.0924 -0.0014 0.0213 0.0139 61 LEU D CG 5537 C CD1 . LEU D 61 ? 0.1504 0.0858 0.1126 0.0117 0.0130 0.0017 61 LEU D CD1 5538 C CD2 . LEU D 61 ? 0.1821 0.1209 0.0819 -0.0136 0.0138 0.0150 61 LEU D CD2 5539 N N . LEU D 62 ? 0.0872 0.0782 0.0269 0.0004 -0.0068 0.0121 62 LEU D N 5540 C CA . LEU D 62 ? 0.0744 0.0719 0.0225 -0.0002 -0.0071 0.0078 62 LEU D CA 5541 C C . LEU D 62 ? 0.0741 0.0697 0.0276 -0.0069 0.0091 0.0007 62 LEU D C 5542 O O . LEU D 62 ? 0.0883 0.0715 0.0393 -0.0092 0.0156 0.0197 62 LEU D O 5543 C CB . LEU D 62 ? 0.0925 0.0875 0.0337 -0.0072 0.0074 0.0080 62 LEU D CB 5544 C CG . LEU D 62 ? 0.0987 0.0771 0.0468 -0.0224 0.0112 -0.0004 62 LEU D CG 5545 C CD1 . LEU D 62 ? 0.1124 0.0542 0.0377 -0.0080 0.0028 -0.0116 62 LEU D CD1 5546 C CD2 . LEU D 62 ? 0.1015 0.0900 0.0808 -0.0343 0.0211 0.0123 62 LEU D CD2 5547 N N . VAL D 63 ? 0.0622 0.0559 0.0392 -0.0074 0.0078 0.0085 63 VAL D N 5548 C CA . VAL D 63 ? 0.0713 0.0587 0.0417 -0.0070 -0.0021 0.0192 63 VAL D CA 5549 C C . VAL D 63 ? 0.0766 0.0601 0.0466 -0.0055 0.0007 0.0042 63 VAL D C 5550 O O . VAL D 63 ? 0.0834 0.0825 0.0444 0.0145 0.0007 0.0037 63 VAL D O 5551 C CB . VAL D 63 ? 0.0811 0.0766 0.0566 -0.0117 -0.0022 0.0255 63 VAL D CB 5552 C CG1 . VAL D 63 ? 0.0846 0.0908 0.0720 -0.0200 0.0101 0.0396 63 VAL D CG1 5553 C CG2 . VAL D 63 ? 0.1151 0.0985 0.0796 -0.0218 -0.0054 -0.0019 63 VAL D CG2 5554 N N . TYR D 64 ? 0.0823 0.0570 0.0508 -0.0050 -0.0019 -0.0056 64 TYR D N 5555 C CA . TYR D 64 ? 0.0984 0.0701 0.0657 -0.0218 0.0037 -0.0087 64 TYR D CA 5556 C C . TYR D 64 ? 0.0897 0.1040 0.0565 -0.0096 0.0008 -0.0294 64 TYR D C 5557 O O . TYR D 64 ? 0.0766 0.1353 0.0678 -0.0066 -0.0011 -0.0237 64 TYR D O 5558 C CB . TYR D 64 ? 0.1154 0.0713 0.0702 -0.0212 -0.0090 -0.0099 64 TYR D CB 5559 C CG . TYR D 64 ? 0.1312 0.0823 0.0733 -0.0252 0.0019 -0.0075 64 TYR D CG 5560 C CD1 . TYR D 64 ? 0.1374 0.1028 0.0772 0.0000 -0.0118 0.0049 64 TYR D CD1 5561 C CD2 . TYR D 64 ? 0.1535 0.1039 0.0838 -0.0240 0.0104 -0.0141 64 TYR D CD2 5562 C CE1 . TYR D 64 ? 0.1480 0.0993 0.0784 -0.0028 -0.0002 -0.0116 64 TYR D CE1 5563 C CE2 . TYR D 64 ? 0.1710 0.1089 0.0813 -0.0100 0.0163 -0.0165 64 TYR D CE2 5564 C CZ . TYR D 64 ? 0.1795 0.1226 0.0752 -0.0206 0.0073 -0.0298 64 TYR D CZ 5565 O OH . TYR D 64 ? 0.2072 0.1348 0.0883 -0.0338 0.0220 -0.0374 64 TYR D OH 5566 N N . LYS D 65 ? 0.0874 0.1303 0.0535 0.0027 0.0073 -0.0256 65 LYS D N 5567 C CA . LYS D 65 ? 0.0925 0.1434 0.0709 0.0338 0.0031 -0.0174 65 LYS D CA 5568 C C . LYS D 65 ? 0.1098 0.1630 0.0847 0.0577 0.0186 0.0120 65 LYS D C 5569 O O . LYS D 65 ? 0.1031 0.1270 0.1274 0.0293 0.0226 0.0031 65 LYS D O 5570 C CB . LYS D 65 ? 0.1304 0.1269 0.0989 0.0237 0.0264 -0.0295 65 LYS D CB 5571 C CG . LYS D 65 ? 0.1757 0.1390 0.1306 0.0306 0.0375 -0.0313 65 LYS D CG 5572 C CD . LYS D 65 ? 0.1990 0.1718 0.1687 0.0377 0.0370 -0.0214 65 LYS D CD 5573 C CE . LYS D 65 ? 0.2080 0.1859 0.1886 0.0280 0.0404 -0.0206 65 LYS D CE 5574 N NZ . LYS D 65 ? 0.2138 0.2219 0.2079 0.0338 0.0401 -0.0192 65 LYS D NZ 5575 N N . GLU D 66 ? 0.1733 0.2155 0.0995 0.1015 0.0240 0.0122 66 GLU D N 5576 C CA . GLU D 66 ? 0.2223 0.2376 0.1275 0.1043 0.0207 0.0220 66 GLU D CA 5577 C C . GLU D 66 ? 0.2031 0.2010 0.1204 0.0787 0.0188 -0.0003 66 GLU D C 5578 O O . GLU D 66 ? 0.2108 0.1984 0.1518 0.0558 0.0476 0.0055 66 GLU D O 5579 C CB . GLU D 66 ? 0.2514 0.2877 0.1520 0.1084 -0.0033 0.0254 66 GLU D CB 5580 C CG . GLU D 66 ? 0.2700 0.3254 0.1802 0.0675 -0.0241 -0.0076 66 GLU D CG 5581 C CD . GLU D 66 ? 0.2850 0.3261 0.2123 0.0311 -0.0416 -0.0414 66 GLU D CD 5582 O OE1 . GLU D 66 ? 0.2939 0.3580 0.2418 0.0165 -0.0232 -0.0667 66 GLU D OE1 5583 O OE2 . GLU D 66 ? 0.2829 0.2940 0.2147 0.0262 -0.0812 -0.0463 66 GLU D OE2 5584 N N . ARG D 67 ? 0.1686 0.1563 0.0856 0.0680 -0.0047 -0.0245 67 ARG D N 5585 C CA . ARG D 67 ? 0.1546 0.1584 0.0842 0.0420 0.0083 -0.0483 67 ARG D CA 5586 C C . ARG D 67 ? 0.1426 0.1560 0.0725 0.0281 -0.0065 -0.0485 67 ARG D C 5587 O O . ARG D 67 ? 0.1433 0.1540 0.0724 0.0110 -0.0061 -0.0519 67 ARG D O 5588 C CB . ARG D 67 ? 0.1623 0.1747 0.1270 0.0264 0.0031 -0.0596 67 ARG D CB 5589 C CG . ARG D 67 ? 0.1674 0.1710 0.1698 0.0661 -0.0048 -0.0632 67 ARG D CG 5590 C CD . ARG D 67 ? 0.2155 0.1851 0.2233 0.0515 0.0030 -0.0697 67 ARG D CD 5591 N NE . ARG D 67 ? 0.2700 0.1993 0.2711 0.0442 0.0034 -0.0597 67 ARG D NE 5592 C CZ . ARG D 67 ? 0.3243 0.2315 0.3028 0.0039 -0.0016 -0.0458 67 ARG D CZ 5593 N NH1 . ARG D 67 ? 0.3435 0.2466 0.3121 -0.0040 -0.0055 -0.0395 67 ARG D NH1 5594 N NH2 . ARG D 67 ? 0.3523 0.2704 0.3270 -0.0216 0.0014 -0.0350 67 ARG D NH2 5595 N N A VAL D 68 ? 0.1580 0.1811 0.0683 0.0256 -0.0037 -0.0412 68 VAL D N 5596 N N B VAL D 68 ? 0.1571 0.1850 0.0735 0.0272 -0.0015 -0.0457 68 VAL D N 5597 C CA A VAL D 68 ? 0.1687 0.1952 0.0669 0.0286 -0.0023 -0.0274 68 VAL D CA 5598 C CA B VAL D 68 ? 0.1679 0.2040 0.0786 0.0331 0.0026 -0.0362 68 VAL D CA 5599 C C A VAL D 68 ? 0.1548 0.1857 0.0657 0.0165 -0.0014 -0.0268 68 VAL D C 5600 C C B VAL D 68 ? 0.1541 0.1896 0.0706 0.0188 -0.0001 -0.0322 68 VAL D C 5601 O O A VAL D 68 ? 0.1567 0.1861 0.0659 0.0229 -0.0022 -0.0255 68 VAL D O 5602 O O B VAL D 68 ? 0.1570 0.1908 0.0697 0.0242 -0.0029 -0.0312 68 VAL D O 5603 C CB A VAL D 68 ? 0.1862 0.2189 0.0627 0.0244 0.0005 -0.0206 68 VAL D CB 5604 C CB B VAL D 68 ? 0.1877 0.2415 0.0883 0.0318 0.0127 -0.0373 68 VAL D CB 5605 C CG1 A VAL D 68 ? 0.1890 0.2047 0.0588 0.0157 0.0097 -0.0195 68 VAL D CG1 5606 C CG1 B VAL D 68 ? 0.2052 0.2684 0.0977 0.0373 0.0235 -0.0302 68 VAL D CG1 5607 C CG2 A VAL D 68 ? 0.2035 0.2516 0.0698 0.0338 0.0075 -0.0091 68 VAL D CG2 5608 C CG2 B VAL D 68 ? 0.1960 0.2545 0.0943 0.0325 0.0257 -0.0400 68 VAL D CG2 5609 N N . GLY D 69 ? 0.1477 0.1805 0.0610 -0.0108 -0.0104 -0.0154 69 GLY D N 5610 C CA . GLY D 69 ? 0.1314 0.1623 0.0500 -0.0350 -0.0114 0.0010 69 GLY D CA 5611 C C . GLY D 69 ? 0.1296 0.1607 0.0600 -0.0442 -0.0089 -0.0233 69 GLY D C 5612 O O . GLY D 69 ? 0.1401 0.1945 0.0754 -0.0780 -0.0103 -0.0071 69 GLY D O 5613 N N . GLU D 70 ? 0.1024 0.1347 0.0569 -0.0282 -0.0173 -0.0243 70 GLU D N 5614 C CA . GLU D 70 ? 0.1099 0.1524 0.0814 -0.0110 -0.0051 -0.0397 70 GLU D CA 5615 C C . GLU D 70 ? 0.0967 0.1447 0.0708 0.0108 -0.0066 -0.0326 70 GLU D C 5616 O O . GLU D 70 ? 0.1158 0.1730 0.0944 0.0078 -0.0047 -0.0642 70 GLU D O 5617 C CB . GLU D 70 ? 0.1359 0.1758 0.1281 0.0136 0.0063 -0.0369 70 GLU D CB 5618 C CG . GLU D 70 ? 0.1910 0.2225 0.1655 0.0341 0.0248 -0.0353 70 GLU D CG 5619 C CD . GLU D 70 ? 0.2436 0.2822 0.2214 0.0833 0.0365 -0.0178 70 GLU D CD 5620 O OE1 . GLU D 70 ? 0.2660 0.2668 0.2327 0.1039 0.0272 -0.0026 70 GLU D OE1 5621 O OE2 . GLU D 70 ? 0.2780 0.3441 0.2540 0.0883 0.0478 -0.0130 70 GLU D OE2 5622 N N . TYR D 71 ? 0.0813 0.0933 0.0492 -0.0040 0.0028 -0.0070 71 TYR D N 5623 C CA . TYR D 71 ? 0.0861 0.0976 0.0417 -0.0029 0.0146 -0.0102 71 TYR D CA 5624 C C . TYR D 71 ? 0.0801 0.1083 0.0455 -0.0118 0.0076 -0.0139 71 TYR D C 5625 O O . TYR D 71 ? 0.0719 0.1410 0.0648 -0.0186 0.0160 -0.0005 71 TYR D O 5626 C CB . TYR D 71 ? 0.1209 0.1078 0.0395 0.0180 0.0152 -0.0083 71 TYR D CB 5627 C CG . TYR D 71 ? 0.1429 0.1168 0.0506 0.0204 0.0074 0.0063 71 TYR D CG 5628 C CD1 . TYR D 71 ? 0.1366 0.1109 0.0594 -0.0052 0.0014 0.0164 71 TYR D CD1 5629 C CD2 . TYR D 71 ? 0.1512 0.1603 0.0708 0.0282 0.0113 0.0201 71 TYR D CD2 5630 C CE1 . TYR D 71 ? 0.1563 0.1469 0.0680 0.0109 0.0080 0.0298 71 TYR D CE1 5631 C CE2 . TYR D 71 ? 0.1566 0.1882 0.0835 0.0247 0.0025 0.0344 71 TYR D CE2 5632 C CZ . TYR D 71 ? 0.1705 0.1753 0.0809 0.0179 0.0113 0.0453 71 TYR D CZ 5633 O OH . TYR D 71 ? 0.1881 0.1831 0.1109 0.0132 0.0131 0.0750 71 TYR D OH 5634 N N . SER D 72 ? 0.0813 0.1017 0.0358 -0.0011 0.0065 -0.0218 72 SER D N 5635 C CA . SER D 72 ? 0.0809 0.1050 0.0535 -0.0081 0.0122 0.0017 72 SER D CA 5636 C C . SER D 72 ? 0.0738 0.0839 0.0316 -0.0079 -0.0005 -0.0060 72 SER D C 5637 O O . SER D 72 ? 0.0868 0.0886 0.0285 0.0157 -0.0079 0.0001 72 SER D O 5638 C CB . SER D 72 ? 0.0955 0.1069 0.1018 0.0013 0.0226 0.0147 72 SER D CB 5639 O OG . SER D 72 ? 0.1098 0.0970 0.1589 0.0058 0.0185 -0.0109 72 SER D OG 5640 N N . LEU D 73 ? 0.0623 0.0791 0.0268 -0.0118 0.0106 0.0050 73 LEU D N 5641 C CA . LEU D 73 ? 0.0635 0.0700 0.0491 -0.0164 0.0087 0.0197 73 LEU D CA 5642 C C . LEU D 73 ? 0.0715 0.0784 0.0508 -0.0123 0.0094 0.0248 73 LEU D C 5643 O O . LEU D 73 ? 0.0907 0.0930 0.0511 -0.0041 0.0148 0.0329 73 LEU D O 5644 C CB . LEU D 73 ? 0.0782 0.0638 0.0495 -0.0116 0.0144 0.0272 73 LEU D CB 5645 C CG . LEU D 73 ? 0.1048 0.0712 0.0671 -0.0185 0.0146 0.0068 73 LEU D CG 5646 C CD1 . LEU D 73 ? 0.1130 0.0861 0.0716 -0.0129 0.0028 -0.0213 73 LEU D CD1 5647 C CD2 . LEU D 73 ? 0.1173 0.0615 0.0587 -0.0223 0.0044 0.0036 73 LEU D CD2 5648 N N . TYR D 74 ? 0.0604 0.0687 0.0470 -0.0114 -0.0044 0.0243 74 TYR D N 5649 C CA . TYR D 74 ? 0.0830 0.0610 0.0508 -0.0175 -0.0052 0.0278 74 TYR D CA 5650 C C . TYR D 74 ? 0.0818 0.0707 0.0648 -0.0044 0.0126 0.0173 74 TYR D C 5651 O O . TYR D 74 ? 0.0727 0.0876 0.0777 0.0059 0.0173 0.0181 74 TYR D O 5652 C CB . TYR D 74 ? 0.1186 0.0634 0.0719 -0.0250 -0.0054 0.0282 74 TYR D CB 5653 C CG . TYR D 74 ? 0.1759 0.0655 0.0959 -0.0258 -0.0148 0.0095 74 TYR D CG 5654 C CD1 . TYR D 74 ? 0.1824 0.1112 0.1047 -0.0117 -0.0163 -0.0090 74 TYR D CD1 5655 C CD2 . TYR D 74 ? 0.2237 0.0735 0.1158 -0.0252 -0.0208 -0.0098 74 TYR D CD2 5656 C CE1 . TYR D 74 ? 0.2142 0.1305 0.1145 -0.0103 -0.0339 -0.0431 74 TYR D CE1 5657 C CE2 . TYR D 74 ? 0.2578 0.1143 0.1395 -0.0082 -0.0228 -0.0356 74 TYR D CE2 5658 C CZ . TYR D 74 ? 0.2624 0.1459 0.1351 0.0172 -0.0268 -0.0645 74 TYR D CZ 5659 O OH . TYR D 74 ? 0.3109 0.1989 0.1584 0.0503 -0.0411 -0.0855 74 TYR D OH 5660 N N . ILE D 75 ? 0.0919 0.0861 0.0541 0.0010 0.0175 0.0240 75 ILE D N 5661 C CA . ILE D 75 ? 0.1038 0.0806 0.0604 -0.0192 0.0196 0.0110 75 ILE D CA 5662 C C . ILE D 75 ? 0.0996 0.0902 0.0580 -0.0117 -0.0063 0.0359 75 ILE D C 5663 O O . ILE D 75 ? 0.1103 0.0768 0.0643 -0.0171 -0.0063 0.0365 75 ILE D O 5664 C CB . ILE D 75 ? 0.1254 0.0850 0.0581 -0.0145 0.0351 0.0114 75 ILE D CB 5665 C CG1 . ILE D 75 ? 0.1274 0.0754 0.0681 -0.0211 0.0328 0.0074 75 ILE D CG1 5666 C CG2 . ILE D 75 ? 0.1304 0.1052 0.0681 -0.0209 0.0412 0.0141 75 ILE D CG2 5667 C CD1 . ILE D 75 ? 0.1340 0.0921 0.0597 -0.0107 0.0307 0.0156 75 ILE D CD1 5668 N N . GLY D 76 ? 0.1037 0.0882 0.0687 -0.0311 0.0075 0.0331 76 GLY D N 5669 C CA . GLY D 76 ? 0.1111 0.0969 0.0932 -0.0329 0.0146 0.0417 76 GLY D CA 5670 C C . GLY D 76 ? 0.1211 0.0884 0.1021 -0.0317 -0.0057 0.0476 76 GLY D C 5671 O O . GLY D 76 ? 0.1531 0.1065 0.1089 -0.0262 -0.0104 0.0584 76 GLY D O 5672 N N . ARG D 77 ? 0.1236 0.0819 0.1045 -0.0328 -0.0222 0.0454 77 ARG D N 5673 C CA . ARG D 77 ? 0.1737 0.1068 0.1383 -0.0521 -0.0153 0.0504 77 ARG D CA 5674 C C . ARG D 77 ? 0.1699 0.1207 0.1383 -0.0387 -0.0079 0.0245 77 ARG D C 5675 O O . ARG D 77 ? 0.1888 0.1705 0.1744 -0.0422 -0.0117 -0.0129 77 ARG D O 5676 C CB . ARG D 77 ? 0.2056 0.1374 0.1745 -0.0737 -0.0127 0.0423 77 ARG D CB 5677 C CG . ARG D 77 ? 0.2290 0.2104 0.2058 -0.0725 -0.0143 0.0431 77 ARG D CG 5678 C CD . ARG D 77 ? 0.2439 0.2952 0.2158 -0.0786 -0.0142 0.0191 77 ARG D CD 5679 N NE . ARG D 77 ? 0.2440 0.3366 0.2178 -0.0649 -0.0190 -0.0038 77 ARG D NE 5680 C CZ . ARG D 77 ? 0.2153 0.3362 0.1843 -0.0529 -0.0255 -0.0228 77 ARG D CZ 5681 N NH1 . ARG D 77 ? 0.1452 0.2750 0.1136 -0.0273 -0.0375 0.0037 77 ARG D NH1 5682 N NH2 . ARG D 77 ? 0.2353 0.3733 0.1985 -0.0562 -0.0306 -0.0284 77 ARG D NH2 5683 N N . HIS D 78 ? 0.1540 0.0798 0.1142 -0.0305 0.0005 0.0326 78 HIS D N 5684 C CA . HIS D 78 ? 0.1505 0.0606 0.1018 -0.0198 0.0003 0.0280 78 HIS D CA 5685 C C . HIS D 78 ? 0.1520 0.0572 0.0992 -0.0131 -0.0007 0.0292 78 HIS D C 5686 O O . HIS D 78 ? 0.1720 0.0616 0.0948 0.0065 0.0120 0.0250 78 HIS D O 5687 C CB . HIS D 78 ? 0.1562 0.0893 0.1047 -0.0042 -0.0106 0.0499 78 HIS D CB 5688 C CG . HIS D 78 ? 0.1754 0.1195 0.1116 -0.0204 -0.0141 0.0492 78 HIS D CG 5689 N ND1 . HIS D 78 ? 0.1938 0.1351 0.1229 -0.0275 -0.0143 0.0611 78 HIS D ND1 5690 C CD2 . HIS D 78 ? 0.1794 0.1238 0.1151 -0.0323 -0.0175 0.0629 78 HIS D CD2 5691 C CE1 . HIS D 78 ? 0.1924 0.1369 0.1198 -0.0291 -0.0144 0.0691 78 HIS D CE1 5692 N NE2 . HIS D 78 ? 0.1882 0.1407 0.1192 -0.0334 -0.0200 0.0691 78 HIS D NE2 5693 N N . LYS D 79 ? 0.1458 0.0789 0.1120 -0.0157 0.0032 0.0412 79 LYS D N 5694 C CA . LYS D 79 ? 0.1440 0.1135 0.1256 -0.0243 0.0016 0.0246 79 LYS D CA 5695 C C . LYS D 79 ? 0.1161 0.0916 0.0958 0.0111 -0.0009 0.0368 79 LYS D C 5696 O O . LYS D 79 ? 0.1375 0.1006 0.0953 0.0028 -0.0074 0.0391 79 LYS D O 5697 C CB . LYS D 79 ? 0.2016 0.2133 0.1837 -0.0577 -0.0013 -0.0110 79 LYS D CB 5698 C CG . LYS D 79 ? 0.2531 0.2322 0.2207 -0.0617 -0.0210 -0.0273 79 LYS D CG 5699 C CD . LYS D 79 ? 0.3012 0.2709 0.2418 -0.0756 -0.0331 -0.0405 79 LYS D CD 5700 C CE . LYS D 79 ? 0.3294 0.2894 0.2512 -0.0966 -0.0353 -0.0443 79 LYS D CE 5701 N NZ . LYS D 79 ? 0.3546 0.3337 0.2660 -0.0801 -0.0390 -0.0285 79 LYS D NZ 5702 N N . VAL D 80 ? 0.0969 0.0805 0.0631 -0.0012 0.0065 0.0208 80 VAL D N 5703 C CA . VAL D 80 ? 0.0895 0.0805 0.0622 0.0148 0.0003 0.0063 80 VAL D CA 5704 C C . VAL D 80 ? 0.0810 0.0710 0.0658 0.0039 -0.0001 0.0040 80 VAL D C 5705 O O . VAL D 80 ? 0.0769 0.0949 0.0524 0.0089 0.0017 -0.0074 80 VAL D O 5706 C CB . VAL D 80 ? 0.0991 0.1060 0.0705 -0.0101 0.0066 -0.0092 80 VAL D CB 5707 C CG1 . VAL D 80 ? 0.1099 0.1282 0.0653 -0.0027 0.0296 0.0049 80 VAL D CG1 5708 C CG2 . VAL D 80 ? 0.0985 0.0856 0.0791 -0.0338 0.0114 -0.0240 80 VAL D CG2 5709 N N . THR D 81 ? 0.0757 0.0715 0.0717 -0.0037 0.0092 0.0135 81 THR D N 5710 C CA . THR D 81 ? 0.0976 0.0748 0.0770 -0.0002 0.0035 0.0140 81 THR D CA 5711 C C . THR D 81 ? 0.0963 0.0742 0.0620 0.0069 -0.0079 0.0047 81 THR D C 5712 O O . THR D 81 ? 0.1023 0.1054 0.0657 -0.0139 -0.0150 0.0161 81 THR D O 5713 C CB . THR D 81 ? 0.1339 0.1107 0.1083 -0.0194 0.0061 -0.0174 81 THR D CB 5714 O OG1 . THR D 81 ? 0.1454 0.1271 0.1413 0.0015 0.0055 -0.0189 81 THR D OG1 5715 C CG2 . THR D 81 ? 0.1581 0.1130 0.1067 -0.0344 -0.0014 -0.0555 81 THR D CG2 5716 N N A SER D 82 ? 0.0925 0.0928 0.0616 0.0122 -0.0097 0.0065 82 SER D N 5717 N N B SER D 82 ? 0.1043 0.1039 0.0700 0.0023 0.0002 0.0070 82 SER D N 5718 C CA A SER D 82 ? 0.1154 0.0724 0.0500 -0.0225 -0.0051 -0.0149 82 SER D CA 5719 C CA B SER D 82 ? 0.1159 0.1223 0.0726 -0.0136 0.0093 0.0038 82 SER D CA 5720 C C A SER D 82 ? 0.1005 0.0778 0.0377 -0.0117 -0.0135 -0.0046 82 SER D C 5721 C C B SER D 82 ? 0.1051 0.1283 0.0568 -0.0155 0.0033 0.0020 82 SER D C 5722 O O A SER D 82 ? 0.0937 0.1017 0.0399 -0.0017 -0.0029 -0.0038 82 SER D O 5723 O O B SER D 82 ? 0.1036 0.1405 0.0628 -0.0112 0.0098 0.0081 82 SER D O 5724 C CB A SER D 82 ? 0.1793 0.1199 0.0564 -0.0283 -0.0157 -0.0094 82 SER D CB 5725 C CB B SER D 82 ? 0.1416 0.1441 0.0888 -0.0225 0.0175 0.0096 82 SER D CB 5726 O OG A SER D 82 ? 0.1999 0.1207 0.0589 -0.0006 -0.0250 0.0124 82 SER D OG 5727 O OG B SER D 82 ? 0.1562 0.1507 0.1019 -0.0264 0.0260 0.0140 82 SER D OG 5728 N N . LYS D 83 ? 0.0944 0.1232 0.0377 -0.0239 -0.0029 -0.0106 83 LYS D N 5729 C CA . LYS D 83 ? 0.1148 0.1269 0.0386 -0.0030 0.0019 -0.0123 83 LYS D CA 5730 C C . LYS D 83 ? 0.1019 0.1077 0.0448 -0.0057 0.0140 -0.0222 83 LYS D C 5731 O O . LYS D 83 ? 0.1083 0.1149 0.0472 0.0005 0.0130 -0.0296 83 LYS D O 5732 C CB . LYS D 83 ? 0.1406 0.1529 0.0654 0.0111 0.0106 -0.0210 83 LYS D CB 5733 C CG . LYS D 83 ? 0.1808 0.1937 0.1181 0.0199 0.0206 -0.0176 83 LYS D CG 5734 C CD . LYS D 83 ? 0.2345 0.2328 0.1754 0.0164 0.0273 -0.0130 83 LYS D CD 5735 C CE . LYS D 83 ? 0.2762 0.2803 0.2269 0.0148 0.0368 -0.0052 83 LYS D CE 5736 N NZ . LYS D 83 ? 0.3056 0.3068 0.2552 0.0044 0.0311 -0.0145 83 LYS D NZ 5737 N N . VAL D 84 ? 0.0957 0.1088 0.0470 -0.0150 0.0024 -0.0040 84 VAL D N 5738 C CA . VAL D 84 ? 0.1185 0.1069 0.0548 -0.0169 0.0000 -0.0116 84 VAL D CA 5739 C C . VAL D 84 ? 0.1087 0.1167 0.0503 -0.0256 0.0009 -0.0065 84 VAL D C 5740 O O . VAL D 84 ? 0.1212 0.1224 0.0644 -0.0284 0.0062 -0.0115 84 VAL D O 5741 C CB . VAL D 84 ? 0.1540 0.1088 0.0647 0.0025 0.0070 -0.0015 84 VAL D CB 5742 C CG1 . VAL D 84 ? 0.1597 0.1575 0.0982 0.0399 0.0118 0.0161 84 VAL D CG1 5743 C CG2 . VAL D 84 ? 0.1932 0.1297 0.0800 0.0003 0.0123 0.0151 84 VAL D CG2 5744 N N . ILE D 85 ? 0.0995 0.1294 0.0471 -0.0163 -0.0001 -0.0055 85 ILE D N 5745 C CA . ILE D 85 ? 0.1054 0.1591 0.0686 0.0010 0.0124 0.0107 85 ILE D CA 5746 C C . ILE D 85 ? 0.1337 0.1881 0.0764 0.0008 0.0029 0.0060 85 ILE D C 5747 O O . ILE D 85 ? 0.1543 0.2150 0.0863 0.0253 0.0092 -0.0033 85 ILE D O 5748 C CB . ILE D 85 ? 0.1068 0.2010 0.0875 0.0245 0.0280 0.0407 85 ILE D CB 5749 C CG1 . ILE D 85 ? 0.1172 0.2328 0.1208 0.0133 0.0236 0.0512 85 ILE D CG1 5750 C CG2 . ILE D 85 ? 0.1101 0.2153 0.0815 0.0306 0.0208 0.0509 85 ILE D CG2 5751 C CD1 . ILE D 85 ? 0.1296 0.2512 0.1408 0.0041 0.0281 0.0457 85 ILE D CD1 5752 N N . GLU D 86 ? 0.1417 0.2173 0.0760 -0.0042 -0.0073 0.0126 86 GLU D N 5753 C CA . GLU D 86 ? 0.1573 0.2430 0.1022 -0.0050 -0.0010 0.0177 86 GLU D CA 5754 C C . GLU D 86 ? 0.1697 0.2615 0.1022 -0.0061 -0.0180 0.0108 86 GLU D C 5755 O O . GLU D 86 ? 0.1942 0.2771 0.0964 0.0085 -0.0320 0.0147 86 GLU D O 5756 C CB . GLU D 86 ? 0.1856 0.2465 0.1428 -0.0366 0.0187 0.0175 86 GLU D CB 5757 C CG . GLU D 86 ? 0.2050 0.2513 0.1823 -0.0349 0.0247 0.0088 86 GLU D CG 5758 C CD . GLU D 86 ? 0.2034 0.2319 0.2030 -0.0171 0.0441 0.0118 86 GLU D CD 5759 O OE1 . GLU D 86 ? 0.1915 0.2201 0.1985 0.0052 0.0378 0.0167 86 GLU D OE1 5760 O OE2 . GLU D 86 ? 0.1906 0.1930 0.2129 -0.0149 0.0676 0.0311 86 GLU D OE2 5761 N N . LYS D 87 ? 0.1579 0.2598 0.1081 -0.0208 -0.0285 0.0070 87 LYS D N 5762 C CA . LYS D 87 ? 0.1646 0.2713 0.1207 -0.0331 -0.0245 0.0177 87 LYS D CA 5763 C C . LYS D 87 ? 0.1523 0.2435 0.1081 -0.0175 -0.0266 0.0049 87 LYS D C 5764 O O . LYS D 87 ? 0.1662 0.2631 0.1175 -0.0125 -0.0426 0.0080 87 LYS D O 5765 C CB . LYS D 87 ? 0.1960 0.3119 0.1692 -0.0653 -0.0158 0.0278 87 LYS D CB 5766 C CG . LYS D 87 ? 0.2362 0.3672 0.2209 -0.0699 -0.0053 0.0387 87 LYS D CG 5767 C CD . LYS D 87 ? 0.2805 0.4120 0.2731 -0.0568 0.0042 0.0565 87 LYS D CD 5768 C CE . LYS D 87 ? 0.3188 0.4546 0.3199 -0.0544 0.0176 0.0639 87 LYS D CE 5769 N NZ . LYS D 87 ? 0.3468 0.4970 0.3516 -0.0413 0.0201 0.0588 87 LYS D NZ 5770 N N . PHE D 88 ? 0.1380 0.2200 0.0892 -0.0043 -0.0182 0.0046 88 PHE D N 5771 C CA . PHE D 88 ? 0.1335 0.1885 0.0942 0.0109 -0.0012 0.0028 88 PHE D CA 5772 C C . PHE D 88 ? 0.1363 0.1756 0.0814 0.0088 0.0087 -0.0149 88 PHE D C 5773 O O . PHE D 88 ? 0.1481 0.2107 0.1071 0.0277 0.0300 -0.0145 88 PHE D O 5774 C CB . PHE D 88 ? 0.1466 0.1912 0.1257 0.0126 0.0095 0.0245 88 PHE D CB 5775 C CG . PHE D 88 ? 0.1438 0.1744 0.1492 0.0157 0.0163 0.0267 88 PHE D CG 5776 C CD1 . PHE D 88 ? 0.1421 0.1767 0.1625 0.0173 0.0143 0.0276 88 PHE D CD1 5777 C CD2 . PHE D 88 ? 0.1553 0.1798 0.1742 0.0083 0.0295 0.0222 88 PHE D CD2 5778 C CE1 . PHE D 88 ? 0.1481 0.1890 0.1797 0.0297 0.0268 0.0257 88 PHE D CE1 5779 C CE2 . PHE D 88 ? 0.1718 0.1835 0.1875 0.0158 0.0452 0.0201 88 PHE D CE2 5780 C CZ . PHE D 88 ? 0.1549 0.1800 0.1932 0.0297 0.0340 0.0215 88 PHE D CZ 5781 N N . PRO D 89 ? 0.1141 0.1416 0.0550 0.0004 -0.0060 -0.0275 89 PRO D N 5782 C CA . PRO D 89 ? 0.1232 0.1608 0.0597 0.0027 -0.0102 -0.0393 89 PRO D CA 5783 C C . PRO D 89 ? 0.1215 0.1350 0.0607 -0.0014 0.0213 -0.0329 89 PRO D C 5784 O O . PRO D 89 ? 0.1447 0.1477 0.0637 -0.0164 0.0319 -0.0285 89 PRO D O 5785 C CB . PRO D 89 ? 0.1443 0.2063 0.0766 -0.0059 -0.0240 -0.0436 89 PRO D CB 5786 C CG . PRO D 89 ? 0.1527 0.2362 0.0811 0.0082 -0.0272 -0.0420 89 PRO D CG 5787 C CD . PRO D 89 ? 0.1374 0.1937 0.0668 0.0031 -0.0054 -0.0368 89 PRO D CD 5788 N N . ALA D 90 ? 0.1122 0.1284 0.0637 0.0037 0.0216 -0.0400 90 ALA D N 5789 C CA . ALA D 90 ? 0.1119 0.1304 0.0681 -0.0089 0.0193 -0.0433 90 ALA D CA 5790 C C . ALA D 90 ? 0.1074 0.1267 0.0554 -0.0052 0.0155 -0.0221 90 ALA D C 5791 O O . ALA D 90 ? 0.1171 0.1177 0.0679 0.0045 0.0113 -0.0111 90 ALA D O 5792 C CB . ALA D 90 ? 0.1292 0.1780 0.1050 -0.0135 0.0228 -0.0697 90 ALA D CB 5793 N N . PRO D 91 ? 0.1103 0.1224 0.0390 -0.0033 0.0093 -0.0193 91 PRO D N 5794 C CA . PRO D 91 ? 0.0901 0.1076 0.0438 0.0266 0.0033 -0.0227 91 PRO D CA 5795 C C . PRO D 91 ? 0.0664 0.1184 0.0385 0.0150 0.0051 -0.0175 91 PRO D C 5796 O O . PRO D 91 ? 0.0824 0.1669 0.0502 0.0048 0.0132 -0.0142 91 PRO D O 5797 C CB . PRO D 91 ? 0.1293 0.1275 0.0643 0.0347 0.0010 -0.0101 91 PRO D CB 5798 C CG . PRO D 91 ? 0.1389 0.1330 0.0654 -0.0110 0.0010 -0.0104 91 PRO D CG 5799 C CD . PRO D 91 ? 0.1259 0.1208 0.0498 -0.0252 0.0116 0.0007 91 PRO D CD 5800 N N . VAL D 92 ? 0.0554 0.0945 0.0286 0.0058 0.0002 -0.0135 92 VAL D N 5801 C CA . VAL D 92 ? 0.0669 0.0963 0.0423 0.0040 0.0014 -0.0298 92 VAL D CA 5802 C C . VAL D 92 ? 0.0588 0.1033 0.0374 -0.0047 0.0047 -0.0238 92 VAL D C 5803 O O . VAL D 92 ? 0.0753 0.1298 0.0610 -0.0138 0.0073 -0.0436 92 VAL D O 5804 C CB . VAL D 92 ? 0.0957 0.1109 0.0686 0.0308 -0.0045 -0.0283 92 VAL D CB 5805 C CG1 . VAL D 92 ? 0.1204 0.1026 0.0931 -0.0057 -0.0278 -0.0052 92 VAL D CG1 5806 C CG2 . VAL D 92 ? 0.1223 0.1225 0.0808 0.0254 -0.0199 -0.0322 92 VAL D CG2 5807 N N . HIS D 93 ? 0.0622 0.0664 0.0335 -0.0084 0.0131 -0.0197 93 HIS D N 5808 C CA . HIS D 93 ? 0.0753 0.0603 0.0310 -0.0069 0.0029 -0.0179 93 HIS D CA 5809 C C . HIS D 93 ? 0.0684 0.0648 0.0284 -0.0074 -0.0028 -0.0077 93 HIS D C 5810 O O . HIS D 93 ? 0.0738 0.1028 0.0292 0.0075 -0.0021 0.0054 93 HIS D O 5811 C CB . HIS D 93 ? 0.0917 0.0686 0.0363 -0.0043 0.0037 -0.0223 93 HIS D CB 5812 C CG . HIS D 93 ? 0.1121 0.0864 0.0334 0.0068 0.0000 -0.0140 93 HIS D CG 5813 N ND1 . HIS D 93 ? 0.1307 0.0861 0.0431 0.0016 0.0144 0.0124 93 HIS D ND1 5814 C CD2 . HIS D 93 ? 0.1251 0.0786 0.0465 0.0067 0.0120 -0.0148 93 HIS D CD2 5815 C CE1 . HIS D 93 ? 0.1232 0.1022 0.0376 -0.0018 0.0130 -0.0142 93 HIS D CE1 5816 N NE2 . HIS D 93 ? 0.1286 0.1055 0.0488 -0.0100 0.0284 -0.0166 93 HIS D NE2 5817 N N . ILE D 94 ? 0.0792 0.0794 0.0285 -0.0053 0.0039 -0.0019 94 ILE D N 5818 C CA . ILE D 94 ? 0.0866 0.1087 0.0535 0.0213 0.0152 0.0006 94 ILE D CA 5819 C C . ILE D 94 ? 0.0684 0.1458 0.0445 0.0218 0.0111 0.0136 94 ILE D C 5820 O O . ILE D 94 ? 0.0767 0.1750 0.0496 0.0384 0.0048 0.0024 94 ILE D O 5821 C CB . ILE D 94 ? 0.1397 0.1051 0.0917 0.0123 0.0370 0.0154 94 ILE D CB 5822 C CG1 . ILE D 94 ? 0.1547 0.0883 0.1102 0.0091 0.0455 0.0029 94 ILE D CG1 5823 C CG2 . ILE D 94 ? 0.1540 0.1275 0.1191 0.0029 0.0439 0.0443 94 ILE D CG2 5824 C CD1 . ILE D 94 ? 0.1763 0.1189 0.1288 0.0033 0.0484 -0.0215 94 ILE D CD1 5825 N N A CYS D 95 ? 0.0537 0.1195 0.0374 0.0161 0.0080 0.0157 95 CYS D N 5826 N N B CYS D 95 ? 0.0652 0.1475 0.0474 0.0208 0.0131 0.0106 95 CYS D N 5827 C CA A CYS D 95 ? 0.0685 0.1095 0.0404 0.0062 0.0060 0.0261 95 CYS D CA 5828 C CA B CYS D 95 ? 0.0844 0.1445 0.0649 0.0176 0.0134 0.0064 95 CYS D CA 5829 C C A CYS D 95 ? 0.0680 0.0975 0.0270 0.0007 0.0058 0.0048 95 CYS D C 5830 C C B CYS D 95 ? 0.0751 0.1307 0.0375 0.0135 0.0100 0.0049 95 CYS D C 5831 O O A CYS D 95 ? 0.0767 0.0880 0.0255 -0.0045 0.0090 -0.0020 95 CYS D O 5832 O O B CYS D 95 ? 0.0733 0.1369 0.0430 0.0133 0.0143 0.0122 95 CYS D O 5833 C CB A CYS D 95 ? 0.1124 0.1116 0.0565 0.0006 0.0010 0.0408 95 CYS D CB 5834 C CB B CYS D 95 ? 0.1334 0.1566 0.1083 0.0182 0.0162 -0.0098 95 CYS D CB 5835 S SG A CYS D 95 ? 0.1462 0.1387 0.0713 -0.0257 -0.0058 0.0392 95 CYS D SG 5836 S SG B CYS D 95 ? 0.1720 0.1661 0.1441 0.0032 0.0328 -0.0316 95 CYS D SG 5837 N N . VAL D 96 ? 0.0815 0.0954 0.0276 0.0071 0.0091 0.0004 96 VAL D N 5838 C CA . VAL D 96 ? 0.0937 0.0865 0.0305 0.0047 0.0109 -0.0134 96 VAL D CA 5839 C C . VAL D 96 ? 0.0987 0.0756 0.0391 0.0080 0.0207 0.0028 96 VAL D C 5840 O O . VAL D 96 ? 0.0991 0.0808 0.0464 0.0074 0.0091 -0.0101 96 VAL D O 5841 C CB . VAL D 96 ? 0.1415 0.0947 0.0645 0.0208 0.0230 -0.0073 96 VAL D CB 5842 C CG1 . VAL D 96 ? 0.1584 0.1012 0.0927 0.0060 0.0155 -0.0127 96 VAL D CG1 5843 C CG2 . VAL D 96 ? 0.1604 0.0859 0.0839 0.0239 0.0374 -0.0072 96 VAL D CG2 5844 N N . SER D 97 ? 0.0917 0.1023 0.0396 0.0170 0.0227 0.0034 97 SER D N 5845 C CA . SER D 97 ? 0.1013 0.1056 0.0364 0.0070 0.0216 -0.0016 97 SER D CA 5846 C C . SER D 97 ? 0.0870 0.0914 0.0371 0.0263 0.0178 0.0039 97 SER D C 5847 O O . SER D 97 ? 0.0986 0.0912 0.0363 0.0125 0.0207 -0.0040 97 SER D O 5848 C CB . SER D 97 ? 0.1243 0.1205 0.0554 -0.0073 0.0286 -0.0058 97 SER D CB 5849 O OG . SER D 97 ? 0.1400 0.1354 0.0684 -0.0071 0.0244 0.0016 97 SER D OG 5850 N N . TRP D 98 ? 0.0871 0.0746 0.0325 0.0189 0.0171 0.0026 98 TRP D N 5851 C CA . TRP D 98 ? 0.0902 0.0688 0.0367 0.0010 0.0153 0.0186 98 TRP D CA 5852 C C . TRP D 98 ? 0.1082 0.0644 0.0339 0.0088 0.0015 0.0043 98 TRP D C 5853 O O . TRP D 98 ? 0.1140 0.0866 0.0327 0.0078 0.0070 -0.0067 98 TRP D O 5854 C CB . TRP D 98 ? 0.1106 0.0846 0.0406 0.0019 0.0230 0.0130 98 TRP D CB 5855 C CG . TRP D 98 ? 0.1295 0.0865 0.0445 0.0001 0.0278 0.0041 98 TRP D CG 5856 C CD1 . TRP D 98 ? 0.1312 0.0826 0.0447 -0.0145 0.0195 0.0017 98 TRP D CD1 5857 C CD2 . TRP D 98 ? 0.1403 0.0982 0.0495 -0.0218 0.0230 -0.0024 98 TRP D CD2 5858 N NE1 . TRP D 98 ? 0.1353 0.0937 0.0608 -0.0089 -0.0014 0.0055 98 TRP D NE1 5859 C CE2 . TRP D 98 ? 0.1380 0.0952 0.0410 -0.0247 0.0135 -0.0038 98 TRP D CE2 5860 C CE3 . TRP D 98 ? 0.1527 0.1340 0.0484 -0.0256 0.0177 0.0028 98 TRP D CE3 5861 C CZ2 . TRP D 98 ? 0.1610 0.1201 0.0573 -0.0423 0.0151 0.0012 98 TRP D CZ2 5862 C CZ3 . TRP D 98 ? 0.1553 0.1248 0.0492 -0.0337 0.0164 0.0020 98 TRP D CZ3 5863 C CH2 . TRP D 98 ? 0.1556 0.1150 0.0497 -0.0363 0.0189 -0.0032 98 TRP D CH2 5864 N N . GLU D 99 ? 0.1241 0.0891 0.0361 0.0262 0.0018 -0.0012 99 GLU D N 5865 C CA . GLU D 99 ? 0.1427 0.1060 0.0577 0.0205 0.0027 -0.0136 99 GLU D CA 5866 C C . GLU D 99 ? 0.1170 0.1075 0.0453 0.0083 0.0173 -0.0254 99 GLU D C 5867 O O . GLU D 99 ? 0.1393 0.1214 0.0469 0.0234 0.0232 0.0049 99 GLU D O 5868 C CB . GLU D 99 ? 0.1811 0.1060 0.1048 -0.0144 0.0069 -0.0198 99 GLU D CB 5869 C CG . GLU D 99 ? 0.1881 0.1553 0.1652 -0.0154 0.0206 -0.0193 99 GLU D CG 5870 C CD . GLU D 99 ? 0.1978 0.1538 0.2252 -0.0226 0.0156 -0.0293 99 GLU D CD 5871 O OE1 . GLU D 99 ? 0.1862 0.1589 0.2165 -0.0058 0.0029 -0.0201 99 GLU D OE1 5872 O OE2 . GLU D 99 ? 0.2304 0.2103 0.2863 -0.0103 0.0348 -0.0179 99 GLU D OE2 5873 N N . SER D 100 ? 0.1154 0.1173 0.0368 0.0051 0.0155 -0.0125 100 SER D N 5874 C CA . SER D 100 ? 0.1242 0.1298 0.0456 0.0159 0.0233 0.0010 100 SER D CA 5875 C C . SER D 100 ? 0.1212 0.1249 0.0504 0.0223 0.0167 0.0026 100 SER D C 5876 O O . SER D 100 ? 0.1324 0.1374 0.0676 0.0121 0.0158 0.0211 100 SER D O 5877 C CB . SER D 100 ? 0.1329 0.1542 0.0533 0.0036 0.0291 0.0177 100 SER D CB 5878 O OG . SER D 100 ? 0.1501 0.1915 0.0764 -0.0030 0.0330 0.0276 100 SER D OG 5879 N N . SER D 101 ? 0.1212 0.1210 0.0469 0.0239 -0.0011 -0.0105 101 SER D N 5880 C CA . SER D 101 ? 0.1452 0.1607 0.0611 0.0368 -0.0169 -0.0132 101 SER D CA 5881 C C . SER D 101 ? 0.1419 0.1727 0.0531 0.0210 -0.0155 -0.0196 101 SER D C 5882 O O . SER D 101 ? 0.1497 0.2022 0.0690 0.0405 -0.0295 -0.0197 101 SER D O 5883 C CB . SER D 101 ? 0.1842 0.1766 0.1049 0.0252 -0.0249 -0.0385 101 SER D CB 5884 O OG . SER D 101 ? 0.2132 0.1566 0.1581 0.0085 -0.0163 -0.0399 101 SER D OG 5885 N N . SER D 102 ? 0.1369 0.1374 0.0452 0.0060 0.0021 -0.0261 102 SER D N 5886 C CA . SER D 102 ? 0.1267 0.1263 0.0512 0.0213 -0.0047 -0.0075 102 SER D CA 5887 C C . SER D 102 ? 0.1232 0.0984 0.0523 0.0120 0.0052 0.0106 102 SER D C 5888 O O . SER D 102 ? 0.1360 0.0909 0.0755 0.0185 -0.0049 -0.0081 102 SER D O 5889 C CB . SER D 102 ? 0.1297 0.1201 0.0558 0.0035 0.0046 -0.0145 102 SER D CB 5890 O OG . SER D 102 ? 0.1399 0.1150 0.0625 -0.0249 0.0181 0.0074 102 SER D OG 5891 N N . GLY D 103 ? 0.1096 0.1014 0.0349 0.0037 0.0120 0.0084 103 GLY D N 5892 C CA . GLY D 103 ? 0.1034 0.1013 0.0342 -0.0001 0.0114 0.0173 103 GLY D CA 5893 C C . GLY D 103 ? 0.0888 0.0871 0.0363 0.0034 0.0164 0.0188 103 GLY D C 5894 O O . GLY D 103 ? 0.1029 0.0940 0.0371 -0.0026 0.0162 0.0033 103 GLY D O 5895 N N . ILE D 104 ? 0.0942 0.0777 0.0367 0.0059 0.0153 0.0044 104 ILE D N 5896 C CA . ILE D 104 ? 0.0817 0.0731 0.0494 0.0185 0.0127 -0.0003 104 ILE D CA 5897 C C . ILE D 104 ? 0.0865 0.0753 0.0498 0.0217 0.0147 0.0066 104 ILE D C 5898 O O . ILE D 104 ? 0.1033 0.0738 0.0615 0.0334 0.0182 0.0050 104 ILE D O 5899 C CB . ILE D 104 ? 0.0910 0.0966 0.0584 0.0111 0.0123 -0.0110 104 ILE D CB 5900 C CG1 . ILE D 104 ? 0.1066 0.1502 0.0810 0.0182 0.0064 -0.0189 104 ILE D CG1 5901 C CG2 . ILE D 104 ? 0.1054 0.0998 0.0883 -0.0030 0.0367 0.0057 104 ILE D CG2 5902 C CD1 . ILE D 104 ? 0.1228 0.1833 0.0941 0.0218 -0.0033 -0.0190 104 ILE D CD1 5903 N N . ALA D 105 ? 0.0944 0.0703 0.0366 0.0219 0.0058 0.0049 105 ALA D N 5904 C CA . ALA D 105 ? 0.1166 0.0919 0.0491 0.0011 0.0191 0.0273 105 ALA D CA 5905 C C . ALA D 105 ? 0.0998 0.0870 0.0500 0.0116 0.0238 0.0068 105 ALA D C 5906 O O . ALA D 105 ? 0.1177 0.1043 0.0684 0.0249 0.0363 0.0237 105 ALA D O 5907 C CB . ALA D 105 ? 0.1342 0.1154 0.0672 -0.0262 0.0095 0.0388 105 ALA D CB 5908 N N . GLU D 106 ? 0.0954 0.0926 0.0400 0.0029 0.0177 0.0138 106 GLU D N 5909 C CA . GLU D 106 ? 0.1003 0.1089 0.0506 0.0303 0.0284 0.0152 106 GLU D CA 5910 C C . GLU D 106 ? 0.0890 0.1182 0.0495 0.0414 0.0200 0.0230 106 GLU D C 5911 O O . GLU D 106 ? 0.1143 0.1727 0.0622 0.0530 0.0227 0.0175 106 GLU D O 5912 C CB . GLU D 106 ? 0.1502 0.1524 0.0920 0.0127 0.0429 0.0095 106 GLU D CB 5913 C CG . GLU D 106 ? 0.2101 0.2071 0.1277 0.0083 0.0327 -0.0022 106 GLU D CG 5914 C CD . GLU D 106 ? 0.2579 0.2480 0.1435 -0.0117 -0.0005 -0.0134 106 GLU D CD 5915 O OE1 . GLU D 106 ? 0.2783 0.2257 0.1271 -0.0270 -0.0085 -0.0249 106 GLU D OE1 5916 O OE2 . GLU D 106 ? 0.2559 0.2922 0.1679 0.0046 -0.0195 -0.0087 106 GLU D OE2 5917 N N . PHE D 107 ? 0.0838 0.1027 0.0375 0.0284 0.0126 0.0148 107 PHE D N 5918 C CA . PHE D 107 ? 0.0732 0.0928 0.0393 0.0159 0.0185 0.0141 107 PHE D CA 5919 C C . PHE D 107 ? 0.0694 0.0978 0.0340 0.0013 0.0103 0.0143 107 PHE D C 5920 O O . PHE D 107 ? 0.0734 0.1011 0.0379 0.0058 0.0098 0.0087 107 PHE D O 5921 C CB . PHE D 107 ? 0.0969 0.0857 0.0694 -0.0006 0.0265 -0.0004 107 PHE D CB 5922 C CG . PHE D 107 ? 0.1192 0.0916 0.0877 0.0094 0.0327 -0.0082 107 PHE D CG 5923 C CD1 . PHE D 107 ? 0.1147 0.1016 0.0920 -0.0110 0.0430 -0.0249 107 PHE D CD1 5924 C CD2 . PHE D 107 ? 0.1281 0.0947 0.0918 0.0075 0.0311 0.0046 107 PHE D CD2 5925 C CE1 . PHE D 107 ? 0.1237 0.0796 0.1021 -0.0013 0.0390 -0.0325 107 PHE D CE1 5926 C CE2 . PHE D 107 ? 0.1422 0.0829 0.1060 -0.0042 0.0412 0.0041 107 PHE D CE2 5927 C CZ . PHE D 107 ? 0.1435 0.0933 0.1071 -0.0192 0.0345 -0.0187 107 PHE D CZ 5928 N N . TRP D 108 ? 0.0595 0.0811 0.0303 -0.0002 0.0073 0.0146 108 TRP D N 5929 C CA . TRP D 108 ? 0.0722 0.0804 0.0369 0.0148 0.0045 -0.0112 108 TRP D CA 5930 C C . TRP D 108 ? 0.0704 0.0784 0.0354 0.0193 0.0012 -0.0200 108 TRP D C 5931 O O . TRP D 108 ? 0.0885 0.1282 0.0366 0.0142 0.0103 0.0019 108 TRP D O 5932 C CB . TRP D 108 ? 0.1211 0.0698 0.0609 -0.0004 -0.0210 -0.0235 108 TRP D CB 5933 C CG . TRP D 108 ? 0.1688 0.0906 0.0955 0.0196 -0.0313 -0.0334 108 TRP D CG 5934 C CD1 . TRP D 108 ? 0.1994 0.1176 0.1094 -0.0046 -0.0325 -0.0408 108 TRP D CD1 5935 C CD2 . TRP D 108 ? 0.1657 0.0900 0.1189 0.0292 -0.0536 -0.0337 108 TRP D CD2 5936 N NE1 . TRP D 108 ? 0.2063 0.1252 0.1224 0.0189 -0.0375 -0.0449 108 TRP D NE1 5937 C CE2 . TRP D 108 ? 0.1793 0.0931 0.1305 0.0198 -0.0520 -0.0416 108 TRP D CE2 5938 C CE3 . TRP D 108 ? 0.1595 0.0864 0.1396 0.0326 -0.0679 -0.0393 108 TRP D CE3 5939 C CZ2 . TRP D 108 ? 0.1855 0.0887 0.1521 0.0229 -0.0596 -0.0417 108 TRP D CZ2 5940 C CZ3 . TRP D 108 ? 0.1656 0.1027 0.1697 0.0349 -0.0574 -0.0309 108 TRP D CZ3 5941 C CH2 . TRP D 108 ? 0.1783 0.0948 0.1669 0.0189 -0.0603 -0.0279 108 TRP D CH2 5942 N N . ILE D 109 ? 0.0671 0.0612 0.0313 0.0008 -0.0108 -0.0190 109 ILE D N 5943 C CA . ILE D 109 ? 0.0840 0.0869 0.0521 0.0006 -0.0100 -0.0129 109 ILE D CA 5944 C C . ILE D 109 ? 0.0807 0.1372 0.0531 -0.0063 0.0098 0.0056 109 ILE D C 5945 O O . ILE D 109 ? 0.0739 0.1439 0.0655 0.0018 0.0128 0.0098 109 ILE D O 5946 C CB . ILE D 109 ? 0.1248 0.0893 0.0742 0.0078 -0.0140 -0.0295 109 ILE D CB 5947 C CG1 . ILE D 109 ? 0.1363 0.1028 0.1092 0.0078 -0.0167 -0.0365 109 ILE D CG1 5948 C CG2 . ILE D 109 ? 0.1534 0.1185 0.0805 0.0348 -0.0175 -0.0349 109 ILE D CG2 5949 C CD1 . ILE D 109 ? 0.1409 0.0994 0.1349 -0.0015 0.0026 -0.0382 109 ILE D CD1 5950 N N . ASN D 110 ? 0.0788 0.1170 0.0487 -0.0083 0.0050 0.0328 110 ASN D N 5951 C CA . ASN D 110 ? 0.1036 0.1604 0.0691 -0.0221 0.0033 0.0450 110 ASN D CA 5952 C C . ASN D 110 ? 0.1226 0.1643 0.0994 -0.0274 -0.0214 0.0680 110 ASN D C 5953 O O . ASN D 110 ? 0.1284 0.1842 0.1243 -0.0477 -0.0289 0.0813 110 ASN D O 5954 C CB . ASN D 110 ? 0.1050 0.2188 0.0719 -0.0271 0.0145 0.0205 110 ASN D CB 5955 C CG . ASN D 110 ? 0.1262 0.2475 0.0783 -0.0252 0.0269 0.0072 110 ASN D CG 5956 O OD1 . ASN D 110 ? 0.1191 0.2199 0.0655 -0.0114 0.0185 0.0179 110 ASN D OD1 5957 N ND2 . ASN D 110 ? 0.1322 0.3043 0.1034 -0.0133 0.0352 -0.0183 110 ASN D ND2 5958 N N . GLY D 111 ? 0.1353 0.1258 0.1101 -0.0418 -0.0370 0.0616 111 GLY D N 5959 C CA . GLY D 111 ? 0.1512 0.1565 0.1340 -0.0625 -0.0574 0.0694 111 GLY D CA 5960 C C . GLY D 111 ? 0.1565 0.1732 0.1532 -0.0555 -0.0551 0.0598 111 GLY D C 5961 O O . GLY D 111 ? 0.1671 0.2039 0.1826 -0.0603 -0.0809 0.0362 111 GLY D O 5962 N N . THR D 112 ? 0.1383 0.1533 0.1345 -0.0317 -0.0374 0.0797 112 THR D N 5963 C CA . THR D 112 ? 0.1387 0.1878 0.1227 -0.0284 -0.0178 0.0626 112 THR D CA 5964 C C . THR D 112 ? 0.1016 0.1128 0.0863 -0.0208 -0.0085 0.0305 112 THR D C 5965 O O . THR D 112 ? 0.1011 0.1083 0.0798 -0.0154 -0.0123 0.0329 112 THR D O 5966 C CB . THR D 112 ? 0.1784 0.2658 0.1456 0.0021 0.0077 0.0724 112 THR D CB 5967 O OG1 . THR D 112 ? 0.2020 0.3143 0.1669 0.0175 0.0296 0.0415 112 THR D OG1 5968 C CG2 . THR D 112 ? 0.1911 0.2996 0.1439 -0.0151 0.0266 0.0819 112 THR D CG2 5969 N N . PRO D 113 ? 0.0816 0.0717 0.0719 -0.0151 -0.0115 0.0119 113 PRO D N 5970 C CA . PRO D 113 ? 0.0746 0.0761 0.0587 -0.0053 -0.0002 -0.0016 113 PRO D CA 5971 C C . PRO D 113 ? 0.0679 0.0815 0.0511 0.0025 -0.0089 -0.0073 113 PRO D C 5972 O O . PRO D 113 ? 0.0783 0.1062 0.0540 -0.0040 -0.0036 0.0065 113 PRO D O 5973 C CB . PRO D 113 ? 0.0796 0.0863 0.0523 0.0021 -0.0084 -0.0128 113 PRO D CB 5974 C CG . PRO D 113 ? 0.1056 0.0873 0.0725 -0.0159 -0.0155 -0.0047 113 PRO D CG 5975 C CD . PRO D 113 ? 0.0921 0.0664 0.0808 -0.0234 -0.0196 -0.0011 113 PRO D CD 5976 N N . LEU D 114 ? 0.0639 0.0754 0.0449 0.0013 0.0043 -0.0059 114 LEU D N 5977 C CA . LEU D 114 ? 0.0541 0.0827 0.0487 0.0065 -0.0079 -0.0028 114 LEU D CA 5978 C C . LEU D 114 ? 0.0578 0.0690 0.0453 0.0062 0.0000 -0.0211 114 LEU D C 5979 O O . LEU D 114 ? 0.0831 0.0683 0.0594 0.0076 -0.0066 -0.0156 114 LEU D O 5980 C CB . LEU D 114 ? 0.0790 0.1169 0.0478 0.0001 -0.0135 -0.0217 114 LEU D CB 5981 C CG . LEU D 114 ? 0.1100 0.1573 0.0576 -0.0223 -0.0192 -0.0237 114 LEU D CG 5982 C CD1 . LEU D 114 ? 0.0938 0.1327 0.0708 -0.0174 -0.0297 -0.0300 114 LEU D CD1 5983 C CD2 . LEU D 114 ? 0.1369 0.1807 0.0587 -0.0098 -0.0260 -0.0190 114 LEU D CD2 5984 N N . VAL D 115 ? 0.0605 0.0620 0.0467 -0.0045 -0.0105 -0.0178 115 VAL D N 5985 C CA . VAL D 115 ? 0.0555 0.0647 0.0442 -0.0075 -0.0150 0.0004 115 VAL D CA 5986 C C . VAL D 115 ? 0.0720 0.0706 0.0389 0.0002 -0.0094 0.0015 115 VAL D C 5987 O O . VAL D 115 ? 0.0940 0.0679 0.0587 -0.0060 -0.0061 0.0007 115 VAL D O 5988 C CB . VAL D 115 ? 0.0644 0.0578 0.0483 0.0015 -0.0115 -0.0041 115 VAL D CB 5989 C CG1 . VAL D 115 ? 0.0912 0.0535 0.0558 0.0167 -0.0174 0.0032 115 VAL D CG1 5990 C CG2 . VAL D 115 ? 0.0831 0.0734 0.0553 0.0098 0.0007 -0.0028 115 VAL D CG2 5991 N N . LYS D 116 ? 0.0809 0.0770 0.0378 0.0028 0.0032 -0.0058 116 LYS D N 5992 C CA . LYS D 116 ? 0.0925 0.0984 0.0462 0.0016 0.0100 -0.0009 116 LYS D CA 5993 C C . LYS D 116 ? 0.0949 0.1099 0.0671 -0.0028 0.0189 -0.0071 116 LYS D C 5994 O O . LYS D 116 ? 0.1031 0.1259 0.0722 0.0095 0.0168 0.0091 116 LYS D O 5995 C CB . LYS D 116 ? 0.1153 0.1000 0.0541 -0.0190 0.0157 -0.0097 116 LYS D CB 5996 C CG . LYS D 116 ? 0.1566 0.1294 0.0863 -0.0117 0.0017 -0.0179 116 LYS D CG 5997 C CD . LYS D 116 ? 0.2080 0.1511 0.1252 -0.0139 -0.0195 -0.0213 116 LYS D CD 5998 C CE . LYS D 116 ? 0.2379 0.1739 0.1678 -0.0329 -0.0266 0.0044 116 LYS D CE 5999 N NZ . LYS D 116 ? 0.2289 0.1124 0.1951 -0.0674 -0.0395 0.0359 116 LYS D NZ 6000 N N . LYS D 117 ? 0.0803 0.1050 0.0490 0.0083 0.0077 0.0129 117 LYS D N 6001 C CA . LYS D 117 ? 0.0984 0.0985 0.0609 0.0156 0.0005 -0.0095 117 LYS D CA 6002 C C . LYS D 117 ? 0.1194 0.1003 0.0606 0.0409 0.0131 0.0038 117 LYS D C 6003 O O . LYS D 117 ? 0.1526 0.1345 0.0670 0.0815 0.0254 0.0235 117 LYS D O 6004 C CB . LYS D 117 ? 0.1004 0.1094 0.0684 -0.0035 -0.0019 -0.0182 117 LYS D CB 6005 C CG . LYS D 117 ? 0.1195 0.1351 0.0590 -0.0081 -0.0031 -0.0197 117 LYS D CG 6006 C CD . LYS D 117 ? 0.1326 0.1498 0.0585 0.0042 -0.0001 -0.0290 117 LYS D CD 6007 C CE . LYS D 117 ? 0.1364 0.1541 0.0594 0.0045 0.0060 -0.0343 117 LYS D CE 6008 N NZ . LYS D 117 ? 0.1353 0.1703 0.0725 -0.0025 0.0117 -0.0326 117 LYS D NZ 6009 N N . GLY D 118 ? 0.0993 0.0720 0.0531 0.0019 0.0132 -0.0131 118 GLY D N 6010 C CA . GLY D 118 ? 0.1008 0.0778 0.0560 -0.0026 0.0113 -0.0039 118 GLY D CA 6011 C C . GLY D 118 ? 0.1155 0.0897 0.0616 -0.0024 0.0098 0.0107 118 GLY D C 6012 O O . GLY D 118 ? 0.1300 0.1193 0.0770 -0.0168 0.0074 -0.0056 118 GLY D O 6013 N N . LEU D 119 ? 0.1065 0.0877 0.0510 -0.0031 0.0127 0.0213 119 LEU D N 6014 C CA . LEU D 119 ? 0.1160 0.0886 0.0488 -0.0061 0.0166 0.0142 119 LEU D CA 6015 C C . LEU D 119 ? 0.1132 0.1129 0.0533 -0.0084 0.0170 0.0223 119 LEU D C 6016 O O . LEU D 119 ? 0.1079 0.1124 0.0427 -0.0178 0.0121 0.0201 119 LEU D O 6017 C CB . LEU D 119 ? 0.1225 0.0884 0.0422 -0.0144 0.0167 0.0095 119 LEU D CB 6018 C CG . LEU D 119 ? 0.1225 0.0809 0.0459 -0.0213 0.0254 0.0044 119 LEU D CG 6019 C CD1 . LEU D 119 ? 0.1202 0.1123 0.0598 -0.0194 0.0388 0.0066 119 LEU D CD1 6020 C CD2 . LEU D 119 ? 0.1140 0.0791 0.0346 -0.0134 0.0107 0.0050 119 LEU D CD2 6021 N N . ARG D 120 ? 0.1079 0.0983 0.0498 -0.0099 0.0085 0.0333 120 ARG D N 6022 C CA . ARG D 120 ? 0.1106 0.1149 0.0523 -0.0105 0.0083 0.0353 120 ARG D CA 6023 C C . ARG D 120 ? 0.1062 0.1362 0.0583 -0.0043 0.0140 0.0383 120 ARG D C 6024 O O . ARG D 120 ? 0.1096 0.1459 0.0573 0.0092 0.0106 0.0127 120 ARG D O 6025 C CB . ARG D 120 ? 0.1377 0.1265 0.0492 -0.0105 0.0007 0.0303 120 ARG D CB 6026 C CG . ARG D 120 ? 0.1498 0.1359 0.0653 -0.0097 -0.0145 0.0391 120 ARG D CG 6027 C CD . ARG D 120 ? 0.1540 0.1687 0.0965 -0.0142 -0.0049 0.0296 120 ARG D CD 6028 N NE . ARG D 120 ? 0.1759 0.1903 0.0961 -0.0298 0.0007 0.0395 120 ARG D NE 6029 C CZ . ARG D 120 ? 0.1975 0.2269 0.0934 -0.0425 0.0084 0.0444 120 ARG D CZ 6030 N NH1 . ARG D 120 ? 0.2157 0.2440 0.1042 -0.0549 0.0015 0.0236 120 ARG D NH1 6031 N NH2 . ARG D 120 ? 0.2094 0.2415 0.0963 -0.0366 0.0188 0.0570 120 ARG D NH2 6032 N N . GLN D 121 ? 0.1114 0.1386 0.0562 -0.0016 0.0083 0.0353 121 GLN D N 6033 C CA . GLN D 121 ? 0.1312 0.1235 0.0552 -0.0216 0.0226 0.0196 121 GLN D CA 6034 C C . GLN D 121 ? 0.1556 0.1473 0.0549 -0.0164 0.0210 0.0242 121 GLN D C 6035 O O . GLN D 121 ? 0.1789 0.1476 0.0756 -0.0237 0.0159 0.0186 121 GLN D O 6036 C CB . GLN D 121 ? 0.1465 0.1237 0.0620 0.0038 0.0083 0.0125 121 GLN D CB 6037 C CG . GLN D 121 ? 0.1553 0.1513 0.0717 0.0084 -0.0033 0.0087 121 GLN D CG 6038 C CD . GLN D 121 ? 0.1719 0.1864 0.0892 0.0100 -0.0117 0.0169 121 GLN D CD 6039 O OE1 . GLN D 121 ? 0.1970 0.2299 0.1160 0.0232 -0.0245 -0.0073 121 GLN D OE1 6040 N NE2 . GLN D 121 ? 0.1545 0.1894 0.0882 -0.0088 -0.0138 0.0230 121 GLN D NE2 6041 N N . GLY D 122 ? 0.1433 0.1414 0.0572 -0.0004 0.0267 0.0304 122 GLY D N 6042 C CA . GLY D 122 ? 0.1465 0.1690 0.0692 -0.0034 0.0442 0.0218 122 GLY D CA 6043 C C . GLY D 122 ? 0.1396 0.1892 0.0757 -0.0010 0.0388 0.0317 122 GLY D C 6044 O O . GLY D 122 ? 0.1391 0.2444 0.0853 -0.0035 0.0369 0.0247 122 GLY D O 6045 N N . TYR D 123 ? 0.1361 0.1652 0.0731 0.0076 0.0273 0.0390 123 TYR D N 6046 C CA . TYR D 123 ? 0.1393 0.1808 0.0800 0.0049 0.0342 0.0263 123 TYR D CA 6047 C C . TYR D 123 ? 0.1372 0.2018 0.0736 -0.0034 0.0154 0.0163 123 TYR D C 6048 O O . TYR D 123 ? 0.1331 0.2050 0.0836 -0.0184 -0.0029 0.0265 123 TYR D O 6049 C CB . TYR D 123 ? 0.1541 0.1855 0.0927 -0.0037 0.0253 0.0251 123 TYR D CB 6050 C CG . TYR D 123 ? 0.1460 0.1984 0.0993 -0.0179 0.0323 0.0481 123 TYR D CG 6051 C CD1 . TYR D 123 ? 0.1599 0.2334 0.1097 -0.0283 0.0140 0.0729 123 TYR D CD1 6052 C CD2 . TYR D 123 ? 0.1382 0.2141 0.0880 -0.0019 0.0333 0.0264 123 TYR D CD2 6053 C CE1 . TYR D 123 ? 0.1553 0.2563 0.1156 -0.0302 -0.0048 0.0823 123 TYR D CE1 6054 C CE2 . TYR D 123 ? 0.1505 0.2515 0.0968 -0.0156 0.0228 0.0574 123 TYR D CE2 6055 C CZ . TYR D 123 ? 0.1627 0.2869 0.1193 -0.0416 -0.0014 0.0773 123 TYR D CZ 6056 O OH . TYR D 123 ? 0.1782 0.3429 0.1370 -0.0413 -0.0119 0.0893 123 TYR D OH 6057 N N . PHE D 124 ? 0.1457 0.2222 0.0748 -0.0043 0.0145 0.0007 124 PHE D N 6058 C CA . PHE D 124 ? 0.1698 0.2383 0.1042 0.0015 0.0195 -0.0220 124 PHE D CA 6059 C C . PHE D 124 ? 0.1618 0.2036 0.1042 0.0009 0.0229 0.0031 124 PHE D C 6060 O O . PHE D 124 ? 0.1650 0.2064 0.1168 0.0076 0.0305 0.0170 124 PHE D O 6061 C CB . PHE D 124 ? 0.2188 0.3228 0.1405 0.0102 0.0176 -0.0535 124 PHE D CB 6062 C CG . PHE D 124 ? 0.2758 0.4172 0.1863 0.0023 0.0175 -0.0686 124 PHE D CG 6063 C CD1 . PHE D 124 ? 0.3116 0.4647 0.2095 -0.0054 0.0057 -0.0714 124 PHE D CD1 6064 C CD2 . PHE D 124 ? 0.3142 0.4672 0.2055 -0.0158 0.0092 -0.0604 124 PHE D CD2 6065 C CE1 . PHE D 124 ? 0.3276 0.4977 0.2149 -0.0040 0.0062 -0.0652 124 PHE D CE1 6066 C CE2 . PHE D 124 ? 0.3276 0.4994 0.2157 -0.0236 0.0039 -0.0613 124 PHE D CE2 6067 C CZ . PHE D 124 ? 0.3301 0.5149 0.2141 -0.0140 0.0086 -0.0624 124 PHE D CZ 6068 N N . VAL D 125 ? 0.1583 0.1842 0.0998 -0.0230 0.0168 0.0054 125 VAL D N 6069 C CA . VAL D 125 ? 0.1380 0.1774 0.0910 -0.0142 0.0148 -0.0017 125 VAL D CA 6070 C C . VAL D 125 ? 0.1473 0.1852 0.0926 -0.0221 0.0211 -0.0100 125 VAL D C 6071 O O . VAL D 125 ? 0.1558 0.1987 0.0983 -0.0349 0.0288 -0.0378 125 VAL D O 6072 C CB . VAL D 125 ? 0.1302 0.1901 0.0975 -0.0146 0.0222 0.0002 125 VAL D CB 6073 C CG1 . VAL D 125 ? 0.1256 0.1979 0.0990 -0.0178 0.0196 0.0166 125 VAL D CG1 6074 C CG2 . VAL D 125 ? 0.1465 0.2261 0.1131 -0.0006 0.0360 -0.0108 125 VAL D CG2 6075 N N . GLU D 126 ? 0.1398 0.1865 0.0787 -0.0443 0.0234 -0.0129 126 GLU D N 6076 C CA . GLU D 126 ? 0.1632 0.2404 0.1073 -0.0485 0.0271 -0.0195 126 GLU D CA 6077 C C . GLU D 126 ? 0.1532 0.2302 0.0990 -0.0432 0.0246 -0.0383 126 GLU D C 6078 O O . GLU D 126 ? 0.1560 0.2085 0.0935 -0.0524 0.0149 -0.0382 126 GLU D O 6079 C CB . GLU D 126 ? 0.2102 0.3121 0.1483 -0.0494 0.0034 0.0077 126 GLU D CB 6080 C CG . GLU D 126 ? 0.2664 0.4130 0.2111 -0.0291 -0.0048 0.0156 126 GLU D CG 6081 C CD . GLU D 126 ? 0.3204 0.5127 0.2711 -0.0016 -0.0059 0.0161 126 GLU D CD 6082 O OE1 . GLU D 126 ? 0.3336 0.5431 0.2946 -0.0004 -0.0004 0.0025 126 GLU D OE1 6083 O OE2 . GLU D 126 ? 0.3515 0.5560 0.2911 0.0026 -0.0059 0.0276 126 GLU D OE2 6084 N N . ALA D 127 ? 0.1689 0.2731 0.1362 -0.0163 0.0164 -0.0403 127 ALA D N 6085 C CA . ALA D 127 ? 0.1928 0.2957 0.1489 0.0005 0.0191 -0.0495 127 ALA D CA 6086 C C . ALA D 127 ? 0.1783 0.2677 0.1311 0.0018 0.0401 -0.0351 127 ALA D C 6087 O O . ALA D 127 ? 0.1665 0.2723 0.1348 0.0229 0.0477 -0.0311 127 ALA D O 6088 C CB . ALA D 127 ? 0.2206 0.3246 0.1785 0.0045 0.0076 -0.0751 127 ALA D CB 6089 N N . GLN D 128 ? 0.1769 0.2511 0.1232 -0.0076 0.0484 -0.0210 128 GLN D N 6090 C CA . GLN D 128 ? 0.1865 0.2273 0.1236 -0.0252 0.0493 -0.0312 128 GLN D CA 6091 C C . GLN D 128 ? 0.1656 0.1818 0.1130 -0.0106 0.0287 -0.0309 128 GLN D C 6092 O O . GLN D 128 ? 0.1638 0.1801 0.1252 -0.0118 0.0283 -0.0203 128 GLN D O 6093 C CB . GLN D 128 ? 0.2250 0.2818 0.1550 -0.0285 0.0784 -0.0315 128 GLN D CB 6094 C CG . GLN D 128 ? 0.2844 0.3422 0.2145 -0.0371 0.0941 -0.0434 128 GLN D CG 6095 C CD . GLN D 128 ? 0.3496 0.4180 0.2753 -0.0397 0.0986 -0.0541 128 GLN D CD 6096 O OE1 . GLN D 128 ? 0.3698 0.4554 0.3019 -0.0404 0.0984 -0.0442 128 GLN D OE1 6097 N NE2 . GLN D 128 ? 0.3776 0.4440 0.2961 -0.0381 0.1000 -0.0661 128 GLN D NE2 6098 N N . PRO D 129 ? 0.1446 0.1591 0.1029 -0.0082 0.0245 -0.0197 129 PRO D N 6099 C CA . PRO D 129 ? 0.1310 0.1447 0.0971 0.0162 0.0314 -0.0126 129 PRO D CA 6100 C C . PRO D 129 ? 0.1277 0.1304 0.0944 0.0158 0.0233 -0.0153 129 PRO D C 6101 O O . PRO D 129 ? 0.1580 0.1778 0.1069 0.0117 0.0154 -0.0267 129 PRO D O 6102 C CB . PRO D 129 ? 0.1365 0.1702 0.1006 0.0101 0.0294 -0.0093 129 PRO D CB 6103 C CG . PRO D 129 ? 0.1395 0.1672 0.1008 0.0052 0.0248 -0.0076 129 PRO D CG 6104 C CD . PRO D 129 ? 0.1504 0.1703 0.1073 -0.0019 0.0252 -0.0104 129 PRO D CD 6105 N N . LYS D 130 ? 0.1224 0.1111 0.0886 0.0137 0.0322 0.0092 130 LYS D N 6106 C CA . LYS D 130 ? 0.1112 0.1192 0.0842 0.0081 0.0322 0.0026 130 LYS D CA 6107 C C . LYS D 130 ? 0.0963 0.0836 0.0584 0.0156 0.0218 0.0038 130 LYS D C 6108 O O . LYS D 130 ? 0.1110 0.0873 0.0616 -0.0052 0.0240 0.0055 130 LYS D O 6109 C CB . LYS D 130 ? 0.1274 0.1920 0.1125 0.0160 0.0453 0.0056 130 LYS D CB 6110 C CG . LYS D 130 ? 0.1573 0.2911 0.1641 0.0055 0.0549 0.0107 130 LYS D CG 6111 C CD . LYS D 130 ? 0.1749 0.3580 0.2151 -0.0037 0.0680 0.0184 130 LYS D CD 6112 C CE . LYS D 130 ? 0.1882 0.4085 0.2552 -0.0069 0.0634 0.0294 130 LYS D CE 6113 N NZ . LYS D 130 ? 0.2164 0.4333 0.2818 -0.0219 0.0517 0.0394 130 LYS D NZ 6114 N N . ILE D 131 ? 0.0932 0.0986 0.0529 0.0271 0.0303 0.0210 131 ILE D N 6115 C CA . ILE D 131 ? 0.0882 0.0919 0.0445 0.0161 0.0235 0.0148 131 ILE D CA 6116 C C . ILE D 131 ? 0.0819 0.1046 0.0515 0.0173 0.0145 0.0163 131 ILE D C 6117 O O . ILE D 131 ? 0.0884 0.1014 0.0667 0.0213 -0.0065 -0.0021 131 ILE D O 6118 C CB . ILE D 131 ? 0.1084 0.1221 0.0492 0.0035 0.0232 0.0134 131 ILE D CB 6119 C CG1 . ILE D 131 ? 0.1430 0.1236 0.0619 0.0027 0.0116 -0.0026 131 ILE D CG1 6120 C CG2 . ILE D 131 ? 0.1139 0.1245 0.0629 -0.0044 0.0302 0.0185 131 ILE D CG2 6121 C CD1 . ILE D 131 ? 0.1784 0.1594 0.0905 0.0044 0.0099 -0.0121 131 ILE D CD1 6122 N N . VAL D 132 ? 0.0793 0.1028 0.0387 0.0163 0.0203 0.0087 132 VAL D N 6123 C CA . VAL D 132 ? 0.0853 0.1118 0.0459 0.0024 0.0198 0.0114 132 VAL D CA 6124 C C . VAL D 132 ? 0.0839 0.1047 0.0548 -0.0022 0.0170 0.0302 132 VAL D C 6125 O O . VAL D 132 ? 0.0963 0.1250 0.0598 0.0011 0.0096 0.0185 132 VAL D O 6126 C CB . VAL D 132 ? 0.0980 0.0981 0.0477 -0.0003 0.0265 0.0100 132 VAL D CB 6127 C CG1 . VAL D 132 ? 0.1210 0.1136 0.0583 -0.0017 0.0227 -0.0023 132 VAL D CG1 6128 C CG2 . VAL D 132 ? 0.0906 0.1109 0.0637 0.0139 0.0174 0.0239 132 VAL D CG2 6129 N N . LEU D 133 ? 0.0896 0.0857 0.0593 0.0056 0.0192 0.0360 133 LEU D N 6130 C CA . LEU D 133 ? 0.0836 0.0862 0.0636 0.0038 0.0206 0.0343 133 LEU D CA 6131 C C . LEU D 133 ? 0.0888 0.0776 0.0576 -0.0015 0.0232 0.0261 133 LEU D C 6132 O O . LEU D 133 ? 0.1059 0.0836 0.0629 0.0176 0.0129 0.0071 133 LEU D O 6133 C CB . LEU D 133 ? 0.0910 0.0900 0.0732 -0.0133 0.0129 0.0266 133 LEU D CB 6134 C CG . LEU D 133 ? 0.1086 0.0912 0.0760 -0.0324 -0.0034 -0.0013 133 LEU D CG 6135 C CD1 . LEU D 133 ? 0.1392 0.1040 0.0817 -0.0429 -0.0026 -0.0139 133 LEU D CD1 6136 C CD2 . LEU D 133 ? 0.1230 0.1309 0.1070 -0.0382 -0.0124 -0.0129 133 LEU D CD2 6137 N N . GLY D 134 ? 0.0970 0.0863 0.0441 -0.0009 0.0164 0.0114 134 GLY D N 6138 C CA . GLY D 134 ? 0.1018 0.0838 0.0429 -0.0007 0.0110 0.0091 134 GLY D CA 6139 C C . GLY D 134 ? 0.1114 0.0897 0.0458 -0.0009 0.0188 0.0095 134 GLY D C 6140 O O . GLY D 134 ? 0.1194 0.1103 0.0424 -0.0086 0.0251 0.0077 134 GLY D O 6141 N N . GLN D 135 ? 0.1218 0.0874 0.0540 -0.0121 0.0152 0.0245 135 GLN D N 6142 C CA . GLN D 135 ? 0.1118 0.0770 0.0569 -0.0121 0.0105 0.0235 135 GLN D CA 6143 C C . GLN D 135 ? 0.1164 0.0653 0.0425 -0.0126 0.0197 0.0104 135 GLN D C 6144 O O . GLN D 135 ? 0.1245 0.0770 0.0449 -0.0117 0.0076 0.0055 135 GLN D O 6145 C CB . GLN D 135 ? 0.1098 0.1019 0.0584 -0.0170 0.0088 0.0174 135 GLN D CB 6146 C CG . GLN D 135 ? 0.1072 0.1163 0.0727 -0.0185 0.0140 0.0206 135 GLN D CG 6147 C CD . GLN D 135 ? 0.1185 0.1234 0.0726 -0.0067 0.0097 0.0165 135 GLN D CD 6148 O OE1 . GLN D 135 ? 0.1315 0.1173 0.0833 -0.0114 0.0108 0.0215 135 GLN D OE1 6149 N NE2 . GLN D 135 ? 0.1063 0.1173 0.0670 -0.0120 -0.0080 0.0090 135 GLN D NE2 6150 N N . GLU D 136 ? 0.1227 0.0665 0.0451 -0.0143 0.0088 0.0110 136 GLU D N 6151 C CA . GLU D 136 ? 0.1143 0.0701 0.0434 -0.0156 -0.0015 0.0154 136 GLU D CA 6152 C C . GLU D 136 ? 0.1177 0.0536 0.0560 -0.0262 0.0000 0.0166 136 GLU D C 6153 O O . GLU D 136 ? 0.1312 0.0605 0.0732 -0.0438 0.0040 -0.0008 136 GLU D O 6154 C CB . GLU D 136 ? 0.1226 0.0968 0.0530 -0.0074 0.0022 0.0157 136 GLU D CB 6155 C CG . GLU D 136 ? 0.1344 0.1018 0.0725 -0.0128 0.0049 0.0079 136 GLU D CG 6156 C CD . GLU D 136 ? 0.1361 0.0970 0.0753 -0.0270 0.0138 0.0053 136 GLU D CD 6157 O OE1 . GLU D 136 ? 0.1427 0.0878 0.0666 -0.0165 0.0164 0.0119 136 GLU D OE1 6158 O OE2 . GLU D 136 ? 0.1233 0.0870 0.0813 -0.0256 0.0188 0.0264 136 GLU D OE2 6159 N N . GLN D 137 ? 0.1039 0.0555 0.0604 -0.0311 0.0056 0.0153 137 GLN D N 6160 C CA . GLN D 137 ? 0.1016 0.0658 0.0669 -0.0226 0.0103 0.0157 137 GLN D CA 6161 C C . GLN D 137 ? 0.1090 0.0584 0.0578 -0.0215 0.0060 0.0225 137 GLN D C 6162 O O . GLN D 137 ? 0.1375 0.0635 0.0596 -0.0148 0.0086 0.0121 137 GLN D O 6163 C CB . GLN D 137 ? 0.1005 0.0949 0.0743 -0.0005 0.0059 0.0002 137 GLN D CB 6164 C CG . GLN D 137 ? 0.1142 0.1140 0.0812 -0.0057 0.0075 0.0088 137 GLN D CG 6165 C CD . GLN D 137 ? 0.1048 0.1003 0.0817 -0.0108 0.0253 0.0076 137 GLN D CD 6166 O OE1 . GLN D 137 ? 0.1283 0.1299 0.1174 -0.0208 0.0552 0.0001 137 GLN D OE1 6167 N NE2 . GLN D 137 ? 0.0959 0.0942 0.0672 -0.0142 0.0096 0.0124 137 GLN D NE2 6168 N N . ASP D 138 ? 0.1145 0.0616 0.0555 -0.0228 -0.0012 0.0232 138 ASP D N 6169 C CA . ASP D 138 ? 0.1314 0.0603 0.0728 -0.0148 0.0089 0.0277 138 ASP D CA 6170 C C . ASP D 138 ? 0.1413 0.0833 0.0879 -0.0192 0.0228 0.0307 138 ASP D C 6171 O O . ASP D 138 ? 0.1569 0.1171 0.1081 -0.0176 0.0274 0.0378 138 ASP D O 6172 C CB . ASP D 138 ? 0.1430 0.0526 0.0895 -0.0272 -0.0090 0.0189 138 ASP D CB 6173 C CG . ASP D 138 ? 0.1615 0.0520 0.0972 -0.0309 0.0029 0.0001 138 ASP D CG 6174 O OD1 . ASP D 138 ? 0.1539 0.0786 0.0868 -0.0332 0.0146 -0.0075 138 ASP D OD1 6175 O OD2 . ASP D 138 ? 0.1842 0.0903 0.1161 -0.0139 0.0072 -0.0188 138 ASP D OD2 6176 N N . SER D 139 ? 0.1388 0.1000 0.0821 -0.0288 0.0221 0.0374 139 SER D N 6177 C CA . SER D 139 ? 0.1373 0.1251 0.0885 -0.0332 0.0178 0.0372 139 SER D CA 6178 C C . SER D 139 ? 0.1287 0.1285 0.0947 -0.0245 0.0277 0.0503 139 SER D C 6179 O O . SER D 139 ? 0.1230 0.1424 0.1080 -0.0334 0.0229 0.0498 139 SER D O 6180 C CB . SER D 139 ? 0.1521 0.1533 0.0854 -0.0335 0.0129 0.0458 139 SER D CB 6181 O OG . SER D 139 ? 0.1704 0.1985 0.0922 -0.0329 0.0076 0.0467 139 SER D OG 6182 N N . TYR D 140 ? 0.1265 0.1494 0.1054 -0.0254 0.0389 0.0394 140 TYR D N 6183 C CA . TYR D 140 ? 0.1271 0.1474 0.1144 -0.0328 0.0447 0.0322 140 TYR D CA 6184 C C . TYR D 140 ? 0.1373 0.1523 0.1161 -0.0104 0.0335 0.0391 140 TYR D C 6185 O O . TYR D 140 ? 0.1528 0.1770 0.1413 -0.0091 0.0265 0.0471 140 TYR D O 6186 C CB . TYR D 140 ? 0.1386 0.1674 0.1245 -0.0427 0.0568 0.0306 140 TYR D CB 6187 C CG . TYR D 140 ? 0.1487 0.1761 0.1286 -0.0431 0.0469 0.0113 140 TYR D CG 6188 C CD1 . TYR D 140 ? 0.1548 0.1796 0.1227 -0.0254 0.0386 0.0170 140 TYR D CD1 6189 C CD2 . TYR D 140 ? 0.1602 0.1707 0.1457 -0.0619 0.0499 -0.0074 140 TYR D CD2 6190 C CE1 . TYR D 140 ? 0.1624 0.1786 0.1245 -0.0206 0.0323 0.0013 140 TYR D CE1 6191 C CE2 . TYR D 140 ? 0.1703 0.1839 0.1486 -0.0362 0.0488 -0.0101 140 TYR D CE2 6192 C CZ . TYR D 140 ? 0.1614 0.1785 0.1377 -0.0261 0.0369 -0.0151 140 TYR D CZ 6193 O OH . TYR D 140 ? 0.1789 0.2182 0.1451 0.0010 0.0367 -0.0198 140 TYR D OH 6194 N N . GLY D 141 ? 0.1297 0.1481 0.0980 -0.0139 0.0226 0.0286 141 GLY D N 6195 C CA . GLY D 141 ? 0.1299 0.1634 0.0924 -0.0019 0.0105 0.0234 141 GLY D CA 6196 C C . GLY D 141 ? 0.1489 0.1920 0.0981 -0.0142 0.0070 0.0345 141 GLY D C 6197 O O . GLY D 141 ? 0.2064 0.2432 0.1225 0.0030 0.0186 0.0487 141 GLY D O 6198 N N . GLY D 142 ? 0.1271 0.1720 0.0881 -0.0387 0.0015 0.0285 142 GLY D N 6199 C CA . GLY D 142 ? 0.1260 0.1806 0.0889 -0.0288 -0.0004 0.0358 142 GLY D CA 6200 C C . GLY D 142 ? 0.1320 0.1786 0.0830 -0.0420 -0.0016 0.0332 142 GLY D C 6201 O O . GLY D 142 ? 0.1267 0.1567 0.0714 -0.0374 -0.0057 0.0436 142 GLY D O 6202 N N . LYS D 143 ? 0.1419 0.1953 0.0928 -0.0537 -0.0080 0.0295 143 LYS D N 6203 C CA . LYS D 143 ? 0.1593 0.2129 0.1040 -0.0669 -0.0103 0.0319 143 LYS D CA 6204 C C . LYS D 143 ? 0.1511 0.1728 0.0914 -0.0729 -0.0156 0.0157 143 LYS D C 6205 O O . LYS D 143 ? 0.1621 0.1576 0.0978 -0.0505 -0.0056 0.0250 143 LYS D O 6206 C CB . LYS D 143 ? 0.1888 0.2681 0.1403 -0.0634 0.0012 0.0546 143 LYS D CB 6207 C CG . LYS D 143 ? 0.2511 0.3461 0.2038 -0.0390 0.0081 0.0673 143 LYS D CG 6208 C CD . LYS D 143 ? 0.3099 0.3909 0.2574 -0.0275 0.0150 0.0652 143 LYS D CD 6209 C CE . LYS D 143 ? 0.3408 0.3800 0.2790 -0.0244 0.0285 0.0899 143 LYS D CE 6210 N NZ . LYS D 143 ? 0.3550 0.3393 0.2790 -0.0220 0.0406 0.1119 143 LYS D NZ 6211 N N . PHE D 144 ? 0.1469 0.1441 0.0780 -0.0751 -0.0195 0.0342 144 PHE D N 6212 C CA . PHE D 144 ? 0.1664 0.1369 0.0875 -0.0681 -0.0065 0.0221 144 PHE D CA 6213 C C . PHE D 144 ? 0.1878 0.1189 0.1163 -0.0601 0.0027 0.0099 144 PHE D C 6214 O O . PHE D 144 ? 0.2085 0.1533 0.1466 -0.0731 0.0115 0.0012 144 PHE D O 6215 C CB . PHE D 144 ? 0.1595 0.1471 0.0801 -0.0540 -0.0047 0.0218 144 PHE D CB 6216 C CG . PHE D 144 ? 0.1629 0.1421 0.0800 -0.0514 0.0053 0.0184 144 PHE D CG 6217 C CD1 . PHE D 144 ? 0.1612 0.1369 0.0794 -0.0561 0.0139 0.0097 144 PHE D CD1 6218 C CD2 . PHE D 144 ? 0.1759 0.1479 0.0932 -0.0374 0.0009 0.0016 144 PHE D CD2 6219 C CE1 . PHE D 144 ? 0.1723 0.1383 0.0833 -0.0574 0.0179 0.0174 144 PHE D CE1 6220 C CE2 . PHE D 144 ? 0.1804 0.1444 0.0989 -0.0307 0.0135 -0.0028 144 PHE D CE2 6221 C CZ . PHE D 144 ? 0.1814 0.1283 0.0939 -0.0481 0.0260 0.0146 144 PHE D CZ 6222 N N . ASP D 145 ? 0.1810 0.0891 0.1106 -0.0446 0.0008 -0.0029 145 ASP D N 6223 C CA . ASP D 145 ? 0.1921 0.0875 0.1159 -0.0335 0.0102 -0.0036 145 ASP D CA 6224 C C . ASP D 145 ? 0.1819 0.0842 0.1069 -0.0241 0.0097 -0.0099 145 ASP D C 6225 O O . ASP D 145 ? 0.1699 0.0727 0.0935 -0.0215 0.0157 -0.0085 145 ASP D O 6226 C CB . ASP D 145 ? 0.2069 0.0831 0.1235 -0.0125 0.0152 0.0103 145 ASP D CB 6227 C CG . ASP D 145 ? 0.2426 0.1186 0.1422 -0.0009 0.0271 0.0025 145 ASP D CG 6228 O OD1 . ASP D 145 ? 0.2528 0.1316 0.1487 -0.0077 0.0361 -0.0128 145 ASP D OD1 6229 O OD2 . ASP D 145 ? 0.2677 0.1439 0.1616 0.0100 0.0401 0.0031 145 ASP D OD2 6230 N N . ARG D 146 ? 0.1918 0.1315 0.1117 -0.0602 0.0096 -0.0048 146 ARG D N 6231 C CA . ARG D 146 ? 0.1930 0.1802 0.1269 -0.0637 0.0029 -0.0260 146 ARG D CA 6232 C C . ARG D 146 ? 0.1825 0.1333 0.1055 -0.0491 0.0081 -0.0218 146 ARG D C 6233 O O . ARG D 146 ? 0.1797 0.1210 0.0930 -0.0477 0.0121 -0.0202 146 ARG D O 6234 C CB . ARG D 146 ? 0.2290 0.2496 0.1735 -0.0865 -0.0131 -0.0507 146 ARG D CB 6235 C CG . ARG D 146 ? 0.2691 0.3055 0.2162 -0.0824 -0.0313 -0.0778 146 ARG D CG 6236 C CD . ARG D 146 ? 0.3107 0.3620 0.2720 -0.0796 -0.0379 -0.0850 146 ARG D CD 6237 N NE . ARG D 146 ? 0.3676 0.4170 0.3231 -0.0676 -0.0279 -0.0760 146 ARG D NE 6238 C CZ . ARG D 146 ? 0.3874 0.4399 0.3549 -0.0691 -0.0237 -0.0625 146 ARG D CZ 6239 N NH1 . ARG D 146 ? 0.3865 0.4348 0.3721 -0.0728 -0.0231 -0.0683 146 ARG D NH1 6240 N NH2 . ARG D 146 ? 0.4001 0.4675 0.3704 -0.0739 -0.0222 -0.0549 146 ARG D NH2 6241 N N . SER D 147 ? 0.1809 0.1151 0.0966 -0.0364 0.0077 -0.0190 147 SER D N 6242 C CA . SER D 147 ? 0.1956 0.1144 0.1085 -0.0229 0.0207 -0.0128 147 SER D CA 6243 C C . SER D 147 ? 0.1745 0.0856 0.0981 0.0023 0.0225 0.0001 147 SER D C 6244 O O . SER D 147 ? 0.1872 0.0912 0.1095 0.0200 0.0436 0.0081 147 SER D O 6245 C CB . SER D 147 ? 0.2379 0.1379 0.1469 -0.0212 0.0254 -0.0150 147 SER D CB 6246 O OG . SER D 147 ? 0.2769 0.1521 0.1858 -0.0206 0.0291 -0.0033 147 SER D OG 6247 N N . GLN D 148 ? 0.1477 0.0626 0.0694 0.0043 0.0091 -0.0079 148 GLN D N 6248 C CA . GLN D 148 ? 0.1328 0.0521 0.0594 0.0104 -0.0043 0.0037 148 GLN D CA 6249 C C . GLN D 148 ? 0.1203 0.0569 0.0535 -0.0132 -0.0077 0.0022 148 GLN D C 6250 O O . GLN D 148 ? 0.1248 0.0740 0.0644 -0.0199 -0.0086 -0.0008 148 GLN D O 6251 C CB . GLN D 148 ? 0.1448 0.0641 0.0575 0.0096 -0.0170 -0.0062 148 GLN D CB 6252 C CG . GLN D 148 ? 0.1540 0.1050 0.0643 0.0151 -0.0162 0.0067 148 GLN D CG 6253 C CD . GLN D 148 ? 0.1584 0.1553 0.0745 0.0214 -0.0158 0.0269 148 GLN D CD 6254 O OE1 . GLN D 148 ? 0.1673 0.1453 0.0713 -0.0048 -0.0047 -0.0052 148 GLN D OE1 6255 N NE2 . GLN D 148 ? 0.1879 0.2394 0.1119 0.0222 0.0062 0.0280 148 GLN D NE2 6256 N N . SER D 149 ? 0.1122 0.0672 0.0516 -0.0134 -0.0015 0.0017 149 SER D N 6257 C CA . SER D 149 ? 0.1050 0.0808 0.0486 -0.0087 0.0150 -0.0058 149 SER D CA 6258 C C . SER D 149 ? 0.0895 0.0836 0.0359 -0.0069 0.0178 0.0055 149 SER D C 6259 O O . SER D 149 ? 0.1050 0.0839 0.0698 -0.0041 0.0264 0.0020 149 SER D O 6260 C CB . SER D 149 ? 0.1042 0.1111 0.0585 0.0016 0.0203 -0.0056 149 SER D CB 6261 O OG . SER D 149 ? 0.1087 0.1526 0.0727 -0.0069 0.0135 0.0107 149 SER D OG 6262 N N . PHE D 150 ? 0.0931 0.0975 0.0431 0.0019 0.0126 0.0280 150 PHE D N 6263 C CA . PHE D 150 ? 0.0914 0.1024 0.0458 0.0015 0.0081 0.0208 150 PHE D CA 6264 C C . PHE D 150 ? 0.0887 0.0928 0.0534 0.0015 0.0120 0.0136 150 PHE D C 6265 O O . PHE D 150 ? 0.0984 0.1466 0.0684 0.0214 0.0221 0.0269 150 PHE D O 6266 C CB . PHE D 150 ? 0.1040 0.0888 0.0446 0.0077 0.0064 0.0120 150 PHE D CB 6267 C CG . PHE D 150 ? 0.1060 0.0888 0.0347 0.0027 0.0081 0.0069 150 PHE D CG 6268 C CD1 . PHE D 150 ? 0.1234 0.1053 0.0399 0.0117 0.0167 0.0079 150 PHE D CD1 6269 C CD2 . PHE D 150 ? 0.1002 0.0949 0.0330 0.0022 0.0059 0.0138 150 PHE D CD2 6270 C CE1 . PHE D 150 ? 0.1126 0.1232 0.0431 0.0027 0.0095 0.0135 150 PHE D CE1 6271 C CE2 . PHE D 150 ? 0.1153 0.1067 0.0440 0.0006 0.0066 0.0223 150 PHE D CE2 6272 C CZ . PHE D 150 ? 0.1178 0.1128 0.0424 -0.0077 0.0076 0.0146 150 PHE D CZ 6273 N N . VAL D 151 ? 0.1004 0.0613 0.0491 -0.0024 0.0152 -0.0060 151 VAL D N 6274 C CA . VAL D 151 ? 0.0871 0.0586 0.0509 0.0111 0.0011 -0.0177 151 VAL D CA 6275 C C . VAL D 151 ? 0.0775 0.0708 0.0416 0.0128 0.0091 -0.0111 151 VAL D C 6276 O O . VAL D 151 ? 0.0781 0.0913 0.0639 -0.0043 0.0155 -0.0084 151 VAL D O 6277 C CB . VAL D 151 ? 0.0940 0.0792 0.0642 0.0022 -0.0023 -0.0029 151 VAL D CB 6278 C CG1 . VAL D 151 ? 0.0911 0.0915 0.0577 0.0276 -0.0014 -0.0120 151 VAL D CG1 6279 C CG2 . VAL D 151 ? 0.0977 0.0749 0.0838 -0.0235 -0.0090 -0.0107 151 VAL D CG2 6280 N N . GLY D 152 ? 0.0828 0.0507 0.0578 -0.0175 0.0063 -0.0263 152 GLY D N 6281 C CA . GLY D 152 ? 0.0890 0.0525 0.0558 -0.0150 0.0230 -0.0201 152 GLY D CA 6282 C C . GLY D 152 ? 0.0775 0.0597 0.0363 -0.0032 0.0240 -0.0090 152 GLY D C 6283 O O . GLY D 152 ? 0.0820 0.0831 0.0509 0.0025 0.0161 -0.0094 152 GLY D O 6284 N N . GLU D 153 ? 0.0681 0.0586 0.0313 0.0085 0.0119 -0.0051 153 GLU D N 6285 C CA . GLU D 153 ? 0.0775 0.0746 0.0454 0.0056 0.0090 -0.0141 153 GLU D CA 6286 C C . GLU D 153 ? 0.0755 0.0833 0.0445 -0.0032 0.0077 -0.0218 153 GLU D C 6287 O O . GLU D 153 ? 0.0818 0.0902 0.0434 -0.0008 0.0096 -0.0090 153 GLU D O 6288 C CB . GLU D 153 ? 0.1089 0.0593 0.0555 -0.0008 -0.0055 -0.0044 153 GLU D CB 6289 C CG . GLU D 153 ? 0.1324 0.0671 0.0595 0.0041 0.0031 0.0004 153 GLU D CG 6290 C CD . GLU D 153 ? 0.1590 0.1063 0.0578 -0.0036 0.0068 -0.0106 153 GLU D CD 6291 O OE1 . GLU D 153 ? 0.1710 0.1311 0.0554 0.0010 0.0088 0.0106 153 GLU D OE1 6292 O OE2 . GLU D 153 ? 0.1635 0.1128 0.0617 -0.0003 -0.0018 -0.0183 153 GLU D OE2 6293 N N . ILE D 154 ? 0.0616 0.0800 0.0369 -0.0030 0.0046 -0.0258 154 ILE D N 6294 C CA . ILE D 154 ? 0.0891 0.1100 0.0380 -0.0154 0.0003 -0.0187 154 ILE D CA 6295 C C . ILE D 154 ? 0.0796 0.1208 0.0477 -0.0002 -0.0057 -0.0311 154 ILE D C 6296 O O . ILE D 154 ? 0.0794 0.1547 0.0579 0.0224 -0.0108 -0.0362 154 ILE D O 6297 C CB . ILE D 154 ? 0.1537 0.1569 0.0449 -0.0169 -0.0012 -0.0061 154 ILE D CB 6298 C CG1 . ILE D 154 ? 0.1828 0.1906 0.0666 -0.0142 0.0158 -0.0097 154 ILE D CG1 6299 C CG2 . ILE D 154 ? 0.1777 0.1902 0.0549 -0.0253 0.0047 0.0088 154 ILE D CG2 6300 C CD1 . ILE D 154 ? 0.1991 0.1991 0.0795 -0.0130 0.0175 0.0093 154 ILE D CD1 6301 N N . GLY D 155 ? 0.0869 0.0845 0.0658 0.0170 -0.0170 -0.0228 155 GLY D N 6302 C CA . GLY D 155 ? 0.1136 0.1103 0.0784 0.0318 -0.0186 -0.0356 155 GLY D CA 6303 C C . GLY D 155 ? 0.1063 0.0822 0.0518 0.0154 -0.0033 -0.0319 155 GLY D C 6304 O O . GLY D 155 ? 0.0932 0.0903 0.0522 0.0152 0.0048 -0.0256 155 GLY D O 6305 N N . ASP D 156 ? 0.1047 0.0732 0.0479 0.0146 0.0009 -0.0273 156 ASP D N 6306 C CA . ASP D 156 ? 0.1090 0.0725 0.0524 0.0036 0.0056 -0.0240 156 ASP D CA 6307 C C . ASP D 156 ? 0.0902 0.0559 0.0560 0.0091 -0.0001 -0.0281 156 ASP D C 6308 O O . ASP D 156 ? 0.0905 0.0732 0.0589 -0.0084 0.0070 -0.0261 156 ASP D O 6309 C CB . ASP D 156 ? 0.1339 0.1040 0.0866 0.0275 0.0138 0.0082 156 ASP D CB 6310 C CG . ASP D 156 ? 0.1882 0.1886 0.1304 0.0352 0.0380 0.0330 156 ASP D CG 6311 O OD1 . ASP D 156 ? 0.2178 0.2338 0.1650 0.0412 0.0445 0.0731 156 ASP D OD1 6312 O OD2 . ASP D 156 ? 0.2010 0.1955 0.1422 0.0170 0.0419 0.0465 156 ASP D OD2 6313 N N . LEU D 157 ? 0.0741 0.0709 0.0403 0.0030 0.0041 -0.0159 157 LEU D N 6314 C CA . LEU D 157 ? 0.0818 0.0835 0.0437 0.0278 0.0108 -0.0092 157 LEU D CA 6315 C C . LEU D 157 ? 0.0734 0.0965 0.0424 0.0307 0.0179 0.0005 157 LEU D C 6316 O O . LEU D 157 ? 0.0809 0.1032 0.0504 0.0302 0.0112 -0.0098 157 LEU D O 6317 C CB . LEU D 157 ? 0.0969 0.0796 0.0521 0.0133 0.0051 -0.0061 157 LEU D CB 6318 C CG . LEU D 157 ? 0.1131 0.0740 0.0739 -0.0077 0.0084 -0.0075 157 LEU D CG 6319 C CD1 . LEU D 157 ? 0.1312 0.0695 0.0795 -0.0010 -0.0028 -0.0004 157 LEU D CD1 6320 C CD2 . LEU D 157 ? 0.1152 0.0860 0.0946 -0.0006 0.0210 -0.0066 157 LEU D CD2 6321 N N . TYR D 158 ? 0.0729 0.0732 0.0337 0.0228 0.0090 -0.0113 158 TYR D N 6322 C CA . TYR D 158 ? 0.0840 0.0676 0.0467 0.0242 0.0037 -0.0224 158 TYR D CA 6323 C C . TYR D 158 ? 0.0806 0.0670 0.0400 0.0152 0.0049 -0.0228 158 TYR D C 6324 O O . TYR D 158 ? 0.1122 0.0729 0.0424 0.0211 0.0108 -0.0152 158 TYR D O 6325 C CB . TYR D 158 ? 0.1011 0.0778 0.0598 0.0323 0.0033 -0.0188 158 TYR D CB 6326 C CG . TYR D 158 ? 0.1185 0.0837 0.0519 0.0104 -0.0044 -0.0153 158 TYR D CG 6327 C CD1 . TYR D 158 ? 0.1273 0.0919 0.0522 0.0178 -0.0061 -0.0144 158 TYR D CD1 6328 C CD2 . TYR D 158 ? 0.1303 0.0897 0.0440 -0.0040 -0.0113 -0.0209 158 TYR D CD2 6329 C CE1 . TYR D 158 ? 0.1374 0.0979 0.0610 -0.0004 -0.0098 -0.0014 158 TYR D CE1 6330 C CE2 . TYR D 158 ? 0.1540 0.1067 0.0513 -0.0150 -0.0181 -0.0072 158 TYR D CE2 6331 C CZ . TYR D 158 ? 0.1623 0.1027 0.0655 -0.0076 -0.0313 0.0193 158 TYR D CZ 6332 O OH . TYR D 158 ? 0.2046 0.1401 0.1041 0.0027 -0.0294 0.0316 158 TYR D OH 6333 N N . MET D 159 ? 0.0808 0.0713 0.0414 0.0173 0.0222 -0.0096 159 MET D N 6334 C CA . MET D 159 ? 0.0871 0.0721 0.0413 0.0169 0.0112 -0.0204 159 MET D CA 6335 C C . MET D 159 ? 0.0830 0.0672 0.0430 0.0226 0.0130 -0.0159 159 MET D C 6336 O O . MET D 159 ? 0.0865 0.0860 0.0501 0.0231 0.0139 -0.0235 159 MET D O 6337 C CB . MET D 159 ? 0.1193 0.0770 0.0501 0.0113 0.0134 0.0095 159 MET D CB 6338 C CG . MET D 159 ? 0.1460 0.0722 0.0664 -0.0103 -0.0058 -0.0219 159 MET D CG 6339 S SD . MET D 159 ? 0.1763 0.1111 0.1153 -0.0023 -0.0141 -0.0078 159 MET D SD 6340 C CE . MET D 159 ? 0.1702 0.0871 0.1289 -0.0045 -0.0174 0.0261 159 MET D CE 6341 N N . TRP D 160 ? 0.0969 0.0849 0.0482 0.0264 0.0124 -0.0205 160 TRP D N 6342 C CA . TRP D 160 ? 0.1044 0.0718 0.0582 0.0280 0.0085 -0.0241 160 TRP D CA 6343 C C . TRP D 160 ? 0.1081 0.0744 0.0550 0.0144 0.0026 -0.0316 160 TRP D C 6344 O O . TRP D 160 ? 0.1241 0.0844 0.0538 0.0316 0.0126 -0.0188 160 TRP D O 6345 C CB . TRP D 160 ? 0.1163 0.0820 0.0601 0.0417 -0.0026 -0.0232 160 TRP D CB 6346 C CG . TRP D 160 ? 0.1278 0.0963 0.0793 0.0309 -0.0068 -0.0073 160 TRP D CG 6347 C CD1 . TRP D 160 ? 0.1420 0.1002 0.0915 0.0339 -0.0131 -0.0060 160 TRP D CD1 6348 C CD2 . TRP D 160 ? 0.1288 0.0943 0.0761 0.0301 -0.0032 -0.0033 160 TRP D CD2 6349 N NE1 . TRP D 160 ? 0.1514 0.0930 0.1014 0.0312 -0.0140 -0.0043 160 TRP D NE1 6350 C CE2 . TRP D 160 ? 0.1388 0.1007 0.0867 0.0214 -0.0096 -0.0110 160 TRP D CE2 6351 C CE3 . TRP D 160 ? 0.1260 0.0843 0.0565 0.0157 0.0005 0.0032 160 TRP D CE3 6352 C CZ2 . TRP D 160 ? 0.1326 0.1083 0.0850 0.0077 -0.0160 0.0000 160 TRP D CZ2 6353 C CZ3 . TRP D 160 ? 0.1243 0.0888 0.0645 0.0265 0.0072 0.0096 160 TRP D CZ3 6354 C CH2 . TRP D 160 ? 0.1316 0.1027 0.0720 0.0195 -0.0139 0.0025 160 TRP D CH2 6355 N N . ASP D 161 ? 0.1325 0.1024 0.0518 0.0264 0.0042 -0.0259 161 ASP D N 6356 C CA . ASP D 161 ? 0.1470 0.1395 0.0514 0.0164 0.0209 -0.0203 161 ASP D CA 6357 C C . ASP D 161 ? 0.1510 0.1453 0.0516 0.0082 0.0144 -0.0295 161 ASP D C 6358 O O . ASP D 161 ? 0.1773 0.1927 0.0619 0.0302 0.0090 -0.0244 161 ASP D O 6359 C CB . ASP D 161 ? 0.1716 0.1940 0.0711 0.0355 0.0252 -0.0261 161 ASP D CB 6360 C CG . ASP D 161 ? 0.2202 0.2395 0.0918 0.0366 0.0408 -0.0351 161 ASP D CG 6361 O OD1 . ASP D 161 ? 0.2291 0.2035 0.0884 0.0606 0.0134 -0.0367 161 ASP D OD1 6362 O OD2 . ASP D 161 ? 0.2593 0.2927 0.1275 0.0273 0.0722 -0.0359 161 ASP D OD2 6363 N N . SER D 162 ? 0.1389 0.1290 0.0422 -0.0089 0.0070 -0.0187 162 SER D N 6364 C CA . SER D 162 ? 0.1545 0.1178 0.0614 -0.0154 0.0127 -0.0292 162 SER D CA 6365 C C . SER D 162 ? 0.1520 0.1033 0.0679 -0.0210 0.0025 -0.0354 162 SER D C 6366 O O . SER D 162 ? 0.1493 0.1130 0.0771 0.0151 -0.0077 -0.0313 162 SER D O 6367 C CB . SER D 162 ? 0.1816 0.1432 0.0734 -0.0118 0.0067 -0.0351 162 SER D CB 6368 O OG . SER D 162 ? 0.2251 0.1615 0.1000 -0.0096 0.0228 -0.0420 162 SER D OG 6369 N N . VAL D 163 ? 0.1620 0.1360 0.0715 -0.0186 -0.0005 -0.0370 163 VAL D N 6370 C CA . VAL D 163 ? 0.1724 0.1102 0.0698 -0.0126 -0.0160 -0.0362 163 VAL D CA 6371 C C . VAL D 163 ? 0.1741 0.0979 0.0762 -0.0261 -0.0273 -0.0260 163 VAL D C 6372 O O . VAL D 163 ? 0.1990 0.1180 0.0827 -0.0126 -0.0484 -0.0214 163 VAL D O 6373 C CB . VAL D 163 ? 0.1778 0.1262 0.0859 0.0038 -0.0105 -0.0222 163 VAL D CB 6374 C CG1 . VAL D 163 ? 0.1877 0.1160 0.0877 0.0157 -0.0025 -0.0183 163 VAL D CG1 6375 C CG2 . VAL D 163 ? 0.1886 0.1596 0.1059 0.0101 -0.0110 -0.0160 163 VAL D CG2 6376 N N . LEU D 164 ? 0.1674 0.0942 0.0856 -0.0461 -0.0154 -0.0249 164 LEU D N 6377 C CA . LEU D 164 ? 0.1704 0.0957 0.0967 -0.0506 -0.0155 -0.0111 164 LEU D CA 6378 C C . LEU D 164 ? 0.1732 0.0915 0.1089 -0.0499 -0.0122 -0.0074 164 LEU D C 6379 O O . LEU D 164 ? 0.1792 0.1083 0.1150 -0.0377 -0.0032 -0.0050 164 LEU D O 6380 C CB . LEU D 164 ? 0.1644 0.1124 0.1019 -0.0401 -0.0188 0.0151 164 LEU D CB 6381 C CG . LEU D 164 ? 0.1871 0.1530 0.1313 -0.0330 -0.0130 0.0275 164 LEU D CG 6382 C CD1 . LEU D 164 ? 0.1799 0.1679 0.1256 -0.0339 -0.0159 0.0569 164 LEU D CD1 6383 C CD2 . LEU D 164 ? 0.2052 0.1816 0.1619 -0.0426 -0.0107 0.0069 164 LEU D CD2 6384 N N . PRO D 165 ? 0.1750 0.1193 0.1267 -0.0472 -0.0218 -0.0025 165 PRO D N 6385 C CA . PRO D 165 ? 0.1722 0.1297 0.1345 -0.0433 -0.0209 -0.0036 165 PRO D CA 6386 C C . PRO D 165 ? 0.1560 0.1045 0.1391 -0.0335 -0.0298 0.0008 165 PRO D C 6387 O O . PRO D 165 ? 0.1455 0.0842 0.1319 -0.0114 -0.0224 0.0208 165 PRO D O 6388 C CB . PRO D 165 ? 0.1898 0.1451 0.1398 -0.0525 -0.0126 -0.0152 165 PRO D CB 6389 C CG . PRO D 165 ? 0.1932 0.1312 0.1431 -0.0548 -0.0098 -0.0254 165 PRO D CG 6390 C CD . PRO D 165 ? 0.1838 0.1061 0.1291 -0.0470 -0.0164 -0.0155 165 PRO D CD 6391 N N . PRO D 166 ? 0.1521 0.0865 0.1476 -0.0058 -0.0399 0.0012 166 PRO D N 6392 C CA . PRO D 166 ? 0.1539 0.0949 0.1498 0.0073 -0.0252 -0.0103 166 PRO D CA 6393 C C . PRO D 166 ? 0.1425 0.1106 0.1283 0.0054 -0.0239 -0.0027 166 PRO D C 6394 O O . PRO D 166 ? 0.1365 0.1098 0.1161 0.0052 -0.0105 0.0085 166 PRO D O 6395 C CB . PRO D 166 ? 0.1531 0.1110 0.1597 0.0211 -0.0366 -0.0067 166 PRO D CB 6396 C CG . PRO D 166 ? 0.1484 0.1173 0.1641 0.0188 -0.0525 -0.0020 166 PRO D CG 6397 C CD . PRO D 166 ? 0.1541 0.1060 0.1548 0.0010 -0.0532 -0.0007 166 PRO D CD 6398 N N . GLU D 167 ? 0.1523 0.1105 0.1306 -0.0033 -0.0143 0.0004 167 GLU D N 6399 C CA . GLU D 167 ? 0.1804 0.0960 0.1298 -0.0217 -0.0263 -0.0115 167 GLU D CA 6400 C C . GLU D 167 ? 0.1743 0.0879 0.1125 -0.0201 -0.0139 -0.0072 167 GLU D C 6401 O O . GLU D 167 ? 0.1729 0.1091 0.1154 0.0144 -0.0083 -0.0027 167 GLU D O 6402 C CB . GLU D 167 ? 0.2299 0.1111 0.1693 -0.0288 -0.0360 -0.0089 167 GLU D CB 6403 C CG . GLU D 167 ? 0.2872 0.1588 0.2081 -0.0367 -0.0323 -0.0463 167 GLU D CG 6404 C CD . GLU D 167 ? 0.3312 0.2123 0.2408 -0.0570 -0.0325 -0.0686 167 GLU D CD 6405 O OE1 . GLU D 167 ? 0.3298 0.2342 0.2428 -0.0813 -0.0430 -0.0719 167 GLU D OE1 6406 O OE2 . GLU D 167 ? 0.3603 0.2276 0.2627 -0.0549 -0.0262 -0.0689 167 GLU D OE2 6407 N N . ASN D 168 ? 0.1667 0.0820 0.1080 -0.0249 -0.0158 -0.0228 168 ASN D N 6408 C CA . ASN D 168 ? 0.1671 0.0907 0.0998 0.0042 -0.0019 -0.0122 168 ASN D CA 6409 C C . ASN D 168 ? 0.1425 0.0658 0.0904 0.0093 -0.0128 0.0068 168 ASN D C 6410 O O . ASN D 168 ? 0.1263 0.1087 0.0977 0.0253 0.0038 -0.0205 168 ASN D O 6411 C CB . ASN D 168 ? 0.2092 0.1166 0.1016 0.0057 0.0173 -0.0203 168 ASN D CB 6412 C CG . ASN D 168 ? 0.2601 0.1189 0.1332 0.0067 0.0373 -0.0135 168 ASN D CG 6413 O OD1 . ASN D 168 ? 0.3209 0.1581 0.1657 0.0090 0.0445 -0.0082 168 ASN D OD1 6414 N ND2 . ASN D 168 ? 0.2376 0.1115 0.1295 -0.0069 0.0231 -0.0500 168 ASN D ND2 6415 N N A ILE D 169 ? 0.1362 0.0657 0.0932 0.0108 -0.0276 -0.0092 169 ILE D N 6416 N N B ILE D 169 ? 0.1454 0.0743 0.0980 0.0100 -0.0152 -0.0096 169 ILE D N 6417 C CA A ILE D 169 ? 0.1471 0.0524 0.1033 0.0014 -0.0253 -0.0033 169 ILE D CA 6418 C CA B ILE D 169 ? 0.1574 0.0730 0.1086 0.0040 -0.0081 -0.0143 169 ILE D CA 6419 C C A ILE D 169 ? 0.1415 0.0679 0.1028 0.0140 -0.0157 -0.0105 169 ILE D C 6420 C C B ILE D 169 ? 0.1494 0.0772 0.1070 0.0120 -0.0079 -0.0190 169 ILE D C 6421 O O A ILE D 169 ? 0.1275 0.0741 0.0916 0.0293 -0.0109 -0.0128 169 ILE D O 6422 O O B ILE D 169 ? 0.1431 0.0783 0.0978 0.0182 -0.0019 -0.0276 169 ILE D O 6423 C CB A ILE D 169 ? 0.1596 0.0496 0.1169 -0.0108 -0.0307 0.0044 169 ILE D CB 6424 C CB B ILE D 169 ? 0.1755 0.0757 0.1212 -0.0036 0.0014 -0.0173 169 ILE D CB 6425 C CG1 A ILE D 169 ? 0.1591 0.0616 0.1160 -0.0342 -0.0355 -0.0025 169 ILE D CG1 6426 C CG1 B ILE D 169 ? 0.1809 0.0809 0.1199 -0.0067 0.0124 -0.0203 169 ILE D CG1 6427 C CG2 A ILE D 169 ? 0.1687 0.0570 0.1279 0.0057 -0.0232 0.0205 169 ILE D CG2 6428 C CG2 B ILE D 169 ? 0.1811 0.0749 0.1305 -0.0026 0.0024 -0.0147 169 ILE D CG2 6429 C CD1 A ILE D 169 ? 0.1601 0.0850 0.1267 -0.0360 -0.0336 0.0192 169 ILE D CD1 6430 C CD1 B ILE D 169 ? 0.1863 0.0904 0.1221 -0.0057 0.0166 -0.0068 169 ILE D CD1 6431 N N . LEU D 170 ? 0.1430 0.0820 0.1114 0.0162 -0.0157 -0.0171 170 LEU D N 6432 C CA . LEU D 170 ? 0.1595 0.1225 0.1341 -0.0032 0.0055 -0.0282 170 LEU D CA 6433 C C . LEU D 170 ? 0.1595 0.1019 0.1155 -0.0096 0.0043 -0.0082 170 LEU D C 6434 O O . LEU D 170 ? 0.1621 0.1136 0.1124 -0.0219 0.0084 0.0093 170 LEU D O 6435 C CB . LEU D 170 ? 0.1735 0.1938 0.1714 -0.0140 0.0135 -0.0305 170 LEU D CB 6436 C CG . LEU D 170 ? 0.2220 0.2915 0.2257 -0.0295 0.0205 -0.0279 170 LEU D CG 6437 C CD1 . LEU D 170 ? 0.2373 0.3264 0.2494 -0.0313 0.0367 -0.0151 170 LEU D CD1 6438 C CD2 . LEU D 170 ? 0.2402 0.3320 0.2481 -0.0327 0.0173 -0.0302 170 LEU D CD2 6439 N N . SER D 171 ? 0.1647 0.0842 0.1129 -0.0062 -0.0079 -0.0052 171 SER D N 6440 C CA . SER D 171 ? 0.1676 0.0774 0.1148 -0.0012 -0.0203 -0.0091 171 SER D CA 6441 C C . SER D 171 ? 0.1563 0.0614 0.0899 0.0123 -0.0094 -0.0036 171 SER D C 6442 O O . SER D 171 ? 0.1653 0.1034 0.0921 0.0186 -0.0089 0.0020 171 SER D O 6443 C CB . SER D 171 ? 0.1951 0.0896 0.1591 0.0022 -0.0291 -0.0347 171 SER D CB 6444 O OG . SER D 171 ? 0.2239 0.1099 0.1902 0.0011 -0.0216 -0.0351 171 SER D OG 6445 N N . ALA D 172 ? 0.1366 0.1032 0.0829 0.0108 0.0115 -0.0069 172 ALA D N 6446 C CA . ALA D 172 ? 0.1327 0.1156 0.0781 -0.0018 0.0233 -0.0139 172 ALA D CA 6447 C C . ALA D 172 ? 0.1417 0.0991 0.0701 -0.0006 0.0111 -0.0068 172 ALA D C 6448 O O . ALA D 172 ? 0.1416 0.1150 0.0530 -0.0049 0.0000 -0.0135 172 ALA D O 6449 C CB . ALA D 172 ? 0.1338 0.1294 0.0810 -0.0058 0.0349 -0.0258 172 ALA D CB 6450 N N . TYR D 173 ? 0.1483 0.0774 0.0730 0.0142 0.0135 -0.0104 173 TYR D N 6451 C CA . TYR D 173 ? 0.1629 0.0722 0.0986 0.0198 0.0225 -0.0022 173 TYR D CA 6452 C C . TYR D 173 ? 0.1700 0.1093 0.0924 0.0240 0.0092 -0.0005 173 TYR D C 6453 O O . TYR D 173 ? 0.1753 0.1234 0.1032 0.0294 0.0073 -0.0161 173 TYR D O 6454 C CB . TYR D 173 ? 0.1682 0.0812 0.1224 0.0182 0.0393 -0.0025 173 TYR D CB 6455 C CG . TYR D 173 ? 0.1705 0.1145 0.1359 0.0209 0.0550 0.0003 173 TYR D CG 6456 C CD1 . TYR D 173 ? 0.1783 0.1151 0.1336 0.0186 0.0722 -0.0145 173 TYR D CD1 6457 C CD2 . TYR D 173 ? 0.1865 0.1853 0.1461 0.0196 0.0540 0.0002 173 TYR D CD2 6458 C CE1 . TYR D 173 ? 0.1952 0.1253 0.1397 0.0349 0.0838 -0.0077 173 TYR D CE1 6459 C CE2 . TYR D 173 ? 0.1883 0.2051 0.1470 0.0234 0.0789 -0.0070 173 TYR D CE2 6460 C CZ . TYR D 173 ? 0.2113 0.2067 0.1467 0.0347 0.0954 -0.0067 173 TYR D CZ 6461 O OH . TYR D 173 ? 0.2570 0.3017 0.1550 0.0345 0.1038 -0.0056 173 TYR D OH 6462 N N . GLN D 174 ? 0.1732 0.1207 0.1004 0.0024 0.0102 0.0215 174 GLN D N 6463 C CA . GLN D 174 ? 0.1989 0.1197 0.1241 -0.0203 0.0229 0.0173 174 GLN D CA 6464 C C . GLN D 174 ? 0.2123 0.1340 0.1212 -0.0040 0.0188 0.0280 174 GLN D C 6465 O O . GLN D 174 ? 0.2421 0.1849 0.1618 0.0160 0.0225 0.0552 174 GLN D O 6466 C CB . GLN D 174 ? 0.2294 0.1517 0.1665 -0.0407 0.0139 0.0124 174 GLN D CB 6467 C CG . GLN D 174 ? 0.2556 0.2137 0.2112 -0.0581 0.0167 0.0062 174 GLN D CG 6468 C CD . GLN D 174 ? 0.2858 0.2913 0.2600 -0.0539 0.0144 -0.0135 174 GLN D CD 6469 O OE1 . GLN D 174 ? 0.3008 0.2887 0.2670 -0.0607 0.0109 -0.0177 174 GLN D OE1 6470 N NE2 . GLN D 174 ? 0.3025 0.3474 0.2842 -0.0410 0.0149 -0.0117 174 GLN D NE2 6471 N N . GLY D 175 ? 0.1956 0.1300 0.1038 0.0170 0.0224 0.0002 175 GLY D N 6472 C CA . GLY D 175 ? 0.1941 0.1388 0.1184 0.0182 0.0264 0.0008 175 GLY D CA 6473 C C . GLY D 175 ? 0.1898 0.1485 0.1287 0.0177 0.0260 0.0009 175 GLY D C 6474 O O . GLY D 175 ? 0.2017 0.1488 0.1465 0.0256 0.0072 0.0166 175 GLY D O 6475 N N . THR D 176 ? 0.1826 0.1371 0.1160 0.0349 0.0280 -0.0102 176 THR D N 6476 C CA . THR D 176 ? 0.1919 0.1461 0.1381 0.0258 0.0226 -0.0079 176 THR D CA 6477 C C . THR D 176 ? 0.1715 0.1246 0.1140 0.0290 -0.0005 -0.0268 176 THR D C 6478 O O . THR D 176 ? 0.1624 0.1361 0.1127 0.0155 -0.0160 -0.0278 176 THR D O 6479 C CB . THR D 176 ? 0.2182 0.1834 0.1816 0.0238 0.0275 0.0057 176 THR D CB 6480 O OG1 . THR D 176 ? 0.2271 0.1904 0.2141 0.0124 0.0259 0.0119 176 THR D OG1 6481 C CG2 . THR D 176 ? 0.2439 0.2249 0.2084 0.0197 0.0292 0.0082 176 THR D CG2 6482 N N . PRO D 177 ? 0.1637 0.1203 0.0936 0.0229 0.0063 -0.0422 177 PRO D N 6483 C CA . PRO D 177 ? 0.1597 0.1041 0.0972 0.0238 0.0092 -0.0293 177 PRO D CA 6484 C C . PRO D 177 ? 0.1548 0.1048 0.1062 0.0391 0.0148 -0.0206 177 PRO D C 6485 O O . PRO D 177 ? 0.1611 0.1172 0.1054 0.0502 0.0147 -0.0133 177 PRO D O 6486 C CB . PRO D 177 ? 0.1599 0.0983 0.0987 -0.0027 0.0080 -0.0260 177 PRO D CB 6487 C CG . PRO D 177 ? 0.1574 0.1395 0.1038 -0.0132 0.0079 -0.0411 177 PRO D CG 6488 C CD . PRO D 177 ? 0.1645 0.1382 0.0968 0.0039 0.0076 -0.0440 177 PRO D CD 6489 N N . LEU D 178 ? 0.1625 0.1165 0.1128 0.0328 0.0301 -0.0300 178 LEU D N 6490 C CA . LEU D 178 ? 0.1813 0.0894 0.1280 0.0288 0.0131 -0.0390 178 LEU D CA 6491 C C . LEU D 178 ? 0.1908 0.0957 0.1491 0.0136 0.0341 -0.0551 178 LEU D C 6492 O O . LEU D 178 ? 0.1956 0.1046 0.1650 -0.0026 0.0480 -0.0612 178 LEU D O 6493 C CB . LEU D 178 ? 0.2112 0.1151 0.1543 0.0440 -0.0075 -0.0359 178 LEU D CB 6494 C CG . LEU D 178 ? 0.2127 0.1445 0.1685 0.0540 -0.0253 -0.0572 178 LEU D CG 6495 C CD1 . LEU D 178 ? 0.2038 0.1399 0.1748 0.0614 -0.0453 -0.0759 178 LEU D CD1 6496 C CD2 . LEU D 178 ? 0.2303 0.1590 0.1840 0.0191 -0.0128 -0.0681 178 LEU D CD2 6497 N N . PRO D 179 ? 0.1811 0.0940 0.1551 0.0123 0.0373 -0.0547 179 PRO D N 6498 C CA . PRO D 179 ? 0.1926 0.0951 0.1620 0.0210 0.0398 -0.0511 179 PRO D CA 6499 C C . PRO D 179 ? 0.1868 0.0920 0.1410 0.0088 0.0395 -0.0460 179 PRO D C 6500 O O . PRO D 179 ? 0.1855 0.1231 0.1517 -0.0065 0.0420 -0.0626 179 PRO D O 6501 C CB . PRO D 179 ? 0.2039 0.1181 0.1774 0.0266 0.0422 -0.0655 179 PRO D CB 6502 C CG . PRO D 179 ? 0.1978 0.1187 0.1593 0.0292 0.0207 -0.0722 179 PRO D CG 6503 C CD . PRO D 179 ? 0.1914 0.1003 0.1453 0.0046 0.0267 -0.0621 179 PRO D CD 6504 N N . ALA D 180 ? 0.1653 0.0706 0.1110 0.0055 0.0351 -0.0334 180 ALA D N 6505 C CA . ALA D 180 ? 0.1546 0.0779 0.1044 0.0262 0.0238 -0.0347 180 ALA D CA 6506 C C . ALA D 180 ? 0.1622 0.1215 0.1089 0.0398 0.0337 -0.0209 180 ALA D C 6507 O O . ALA D 180 ? 0.1787 0.2162 0.1228 0.0309 0.0320 0.0225 180 ALA D O 6508 C CB . ALA D 180 ? 0.1593 0.0849 0.0944 0.0222 0.0123 -0.0412 180 ALA D CB 6509 N N . ASN D 181 ? 0.1519 0.0978 0.0937 0.0377 0.0351 -0.0241 181 ASN D N 6510 C CA . ASN D 181 ? 0.1518 0.1208 0.1015 0.0336 0.0381 -0.0402 181 ASN D CA 6511 C C . ASN D 181 ? 0.1542 0.1349 0.1093 0.0154 0.0613 -0.0332 181 ASN D C 6512 O O . ASN D 181 ? 0.1815 0.1927 0.1698 0.0035 0.0836 -0.0412 181 ASN D O 6513 C CB . ASN D 181 ? 0.1850 0.1480 0.0982 0.0539 0.0257 -0.0361 181 ASN D CB 6514 C CG . ASN D 181 ? 0.2058 0.1776 0.0994 0.0622 0.0225 -0.0396 181 ASN D CG 6515 O OD1 . ASN D 181 ? 0.1930 0.1626 0.0916 0.0718 0.0097 -0.0336 181 ASN D OD1 6516 N ND2 . ASN D 181 ? 0.2294 0.1930 0.1088 0.0436 0.0173 -0.0630 181 ASN D ND2 6517 N N . ILE D 182 ? 0.1361 0.0997 0.0745 0.0189 0.0384 -0.0248 182 ILE D N 6518 C CA . ILE D 182 ? 0.1351 0.1135 0.0621 0.0057 0.0318 -0.0224 182 ILE D CA 6519 C C . ILE D 182 ? 0.1194 0.1389 0.0733 0.0223 0.0325 -0.0241 182 ILE D C 6520 O O . ILE D 182 ? 0.1214 0.1577 0.0927 0.0039 0.0288 -0.0255 182 ILE D O 6521 C CB . ILE D 182 ? 0.1692 0.1299 0.0657 0.0032 0.0292 -0.0199 182 ILE D CB 6522 C CG1 . ILE D 182 ? 0.1810 0.1346 0.0612 0.0179 0.0247 -0.0081 182 ILE D CG1 6523 C CG2 . ILE D 182 ? 0.1816 0.1408 0.0686 0.0081 0.0204 -0.0074 182 ILE D CG2 6524 C CD1 . ILE D 182 ? 0.1995 0.1430 0.0697 0.0084 0.0228 -0.0009 182 ILE D CD1 6525 N N . LEU D 183 ? 0.1108 0.1285 0.0571 0.0219 0.0299 -0.0166 183 LEU D N 6526 C CA . LEU D 183 ? 0.1039 0.1163 0.0550 0.0261 0.0224 -0.0206 183 LEU D CA 6527 C C . LEU D 183 ? 0.1061 0.1099 0.0563 0.0255 0.0200 -0.0235 183 LEU D C 6528 O O . LEU D 183 ? 0.1019 0.1159 0.0583 0.0364 0.0147 -0.0223 183 LEU D O 6529 C CB . LEU D 183 ? 0.1035 0.1388 0.0618 0.0150 0.0285 -0.0250 183 LEU D CB 6530 C CG . LEU D 183 ? 0.1328 0.1403 0.0800 -0.0096 0.0255 -0.0237 183 LEU D CG 6531 C CD1 . LEU D 183 ? 0.1418 0.1109 0.0812 -0.0351 0.0145 -0.0299 183 LEU D CD1 6532 C CD2 . LEU D 183 ? 0.1448 0.1637 0.0984 -0.0281 0.0380 -0.0112 183 LEU D CD2 6533 N N . ASP D 184 ? 0.1114 0.1248 0.0563 0.0323 0.0165 -0.0141 184 ASP D N 6534 C CA . ASP D 184 ? 0.1395 0.1338 0.0763 0.0409 0.0109 -0.0150 184 ASP D CA 6535 C C . ASP D 184 ? 0.1187 0.1247 0.0642 0.0398 0.0142 0.0011 184 ASP D C 6536 O O . ASP D 184 ? 0.1192 0.1499 0.0670 0.0350 0.0123 -0.0131 184 ASP D O 6537 C CB . ASP D 184 ? 0.2119 0.1910 0.1015 0.0319 0.0044 -0.0336 184 ASP D CB 6538 C CG . ASP D 184 ? 0.2612 0.2353 0.1303 0.0428 -0.0174 -0.0467 184 ASP D CG 6539 O OD1 . ASP D 184 ? 0.2523 0.1882 0.1263 0.0583 -0.0363 -0.0456 184 ASP D OD1 6540 O OD2 . ASP D 184 ? 0.2993 0.3031 0.1570 0.0584 -0.0188 -0.0316 184 ASP D OD2 6541 N N . TRP D 185 ? 0.1178 0.1098 0.0580 0.0099 0.0050 -0.0039 185 TRP D N 6542 C CA . TRP D 185 ? 0.1077 0.0890 0.0625 0.0218 0.0025 -0.0059 185 TRP D CA 6543 C C . TRP D 185 ? 0.1212 0.1011 0.0789 0.0414 0.0071 -0.0081 185 TRP D C 6544 O O . TRP D 185 ? 0.1245 0.1039 0.0700 0.0461 -0.0066 -0.0003 185 TRP D O 6545 C CB . TRP D 185 ? 0.0968 0.0971 0.0662 0.0046 0.0099 -0.0082 185 TRP D CB 6546 C CG . TRP D 185 ? 0.0944 0.1096 0.0624 0.0367 0.0145 0.0024 185 TRP D CG 6547 C CD1 . TRP D 185 ? 0.1097 0.1257 0.0624 0.0363 0.0178 -0.0009 185 TRP D CD1 6548 C CD2 . TRP D 185 ? 0.1009 0.1079 0.0703 0.0276 0.0050 0.0043 185 TRP D CD2 6549 N NE1 . TRP D 185 ? 0.1066 0.1425 0.0629 0.0468 0.0189 0.0029 185 TRP D NE1 6550 C CE2 . TRP D 185 ? 0.0984 0.1131 0.0722 0.0532 0.0052 -0.0094 185 TRP D CE2 6551 C CE3 . TRP D 185 ? 0.1084 0.1205 0.0912 0.0208 0.0115 -0.0135 185 TRP D CE3 6552 C CZ2 . TRP D 185 ? 0.1084 0.1037 0.0951 0.0357 0.0066 -0.0128 185 TRP D CZ2 6553 C CZ3 . TRP D 185 ? 0.1116 0.1099 0.0955 0.0320 0.0070 -0.0278 185 TRP D CZ3 6554 C CH2 . TRP D 185 ? 0.1133 0.1049 0.1047 0.0307 0.0069 -0.0078 185 TRP D CH2 6555 N N . GLN D 186 ? 0.1354 0.0958 0.0952 0.0472 0.0081 -0.0242 186 GLN D N 6556 C CA . GLN D 186 ? 0.1715 0.0889 0.1098 0.0333 0.0029 -0.0219 186 GLN D CA 6557 C C . GLN D 186 ? 0.1661 0.1113 0.1134 0.0495 0.0049 -0.0134 186 GLN D C 6558 O O . GLN D 186 ? 0.1808 0.1364 0.1301 0.0545 0.0093 -0.0030 186 GLN D O 6559 C CB . GLN D 186 ? 0.2206 0.1374 0.1308 0.0019 -0.0179 -0.0167 186 GLN D CB 6560 C CG . GLN D 186 ? 0.2695 0.1996 0.1666 -0.0167 -0.0041 -0.0111 186 GLN D CG 6561 C CD . GLN D 186 ? 0.3144 0.2842 0.2013 -0.0307 0.0061 -0.0059 186 GLN D CD 6562 O OE1 . GLN D 186 ? 0.3285 0.3153 0.2121 -0.0309 -0.0061 -0.0065 186 GLN D OE1 6563 N NE2 . GLN D 186 ? 0.3323 0.3106 0.2181 -0.0365 0.0035 -0.0052 186 GLN D NE2 6564 N N . ALA D 187 ? 0.1502 0.1344 0.1070 0.0542 0.0132 -0.0241 187 ALA D N 6565 C CA . ALA D 187 ? 0.1596 0.1342 0.1015 0.0579 0.0209 -0.0341 187 ALA D CA 6566 C C . ALA D 187 ? 0.1523 0.1455 0.0981 0.0554 0.0302 -0.0247 187 ALA D C 6567 O O . ALA D 187 ? 0.1546 0.1619 0.0925 0.0568 0.0266 -0.0262 187 ALA D O 6568 C CB . ALA D 187 ? 0.1840 0.1529 0.1060 0.0332 0.0264 -0.0409 187 ALA D CB 6569 N N . LEU D 188 ? 0.1474 0.1241 0.0931 0.0597 0.0268 -0.0170 188 LEU D N 6570 C CA . LEU D 188 ? 0.1533 0.1265 0.0861 0.0371 0.0200 -0.0096 188 LEU D CA 6571 C C . LEU D 188 ? 0.1530 0.1495 0.0923 0.0392 0.0231 -0.0137 188 LEU D C 6572 O O . LEU D 188 ? 0.1549 0.1928 0.1002 0.0248 0.0147 -0.0067 188 LEU D O 6573 C CB . LEU D 188 ? 0.1551 0.1035 0.0860 0.0325 0.0260 -0.0072 188 LEU D CB 6574 C CG . LEU D 188 ? 0.1674 0.1028 0.0957 0.0313 0.0429 -0.0109 188 LEU D CG 6575 C CD1 . LEU D 188 ? 0.1772 0.1149 0.1105 0.0257 0.0473 -0.0087 188 LEU D CD1 6576 C CD2 . LEU D 188 ? 0.1764 0.1242 0.1093 0.0184 0.0606 -0.0240 188 LEU D CD2 6577 N N . ASN D 189 ? 0.1438 0.1503 0.0849 0.0429 0.0178 -0.0070 189 ASN D N 6578 C CA . ASN D 189 ? 0.1611 0.1653 0.0916 0.0355 0.0215 -0.0087 189 ASN D CA 6579 C C . ASN D 189 ? 0.1518 0.1425 0.0897 0.0529 0.0221 -0.0030 189 ASN D C 6580 O O . ASN D 189 ? 0.1779 0.1758 0.0959 0.0445 0.0201 -0.0102 189 ASN D O 6581 C CB . ASN D 189 ? 0.1973 0.2116 0.1195 0.0204 0.0482 -0.0298 189 ASN D CB 6582 C CG . ASN D 189 ? 0.2538 0.2950 0.1642 0.0213 0.0588 -0.0416 189 ASN D CG 6583 O OD1 . ASN D 189 ? 0.2770 0.3552 0.1987 0.0152 0.0514 -0.0476 189 ASN D OD1 6584 N ND2 . ASN D 189 ? 0.2688 0.3149 0.1768 0.0339 0.0858 -0.0273 189 ASN D ND2 6585 N N . TYR D 190 ? 0.1384 0.1337 0.1151 0.0546 0.0078 -0.0229 190 TYR D N 6586 C CA . TYR D 190 ? 0.1258 0.1469 0.1290 0.0493 0.0055 -0.0193 190 TYR D CA 6587 C C . TYR D 190 ? 0.1188 0.1470 0.1291 0.0379 0.0051 0.0001 190 TYR D C 6588 O O . TYR D 190 ? 0.1384 0.1558 0.1486 0.0417 0.0155 0.0017 190 TYR D O 6589 C CB . TYR D 190 ? 0.1114 0.1770 0.1296 0.0435 0.0179 -0.0302 190 TYR D CB 6590 C CG . TYR D 190 ? 0.1222 0.1836 0.1363 0.0492 0.0392 -0.0133 190 TYR D CG 6591 C CD1 . TYR D 190 ? 0.1508 0.2107 0.1532 0.0707 0.0558 -0.0072 190 TYR D CD1 6592 C CD2 . TYR D 190 ? 0.1383 0.2031 0.1338 0.0480 0.0488 0.0118 190 TYR D CD2 6593 C CE1 . TYR D 190 ? 0.1962 0.2165 0.1612 0.0696 0.0829 -0.0043 190 TYR D CE1 6594 C CE2 . TYR D 190 ? 0.1794 0.2329 0.1425 0.0512 0.0719 0.0226 190 TYR D CE2 6595 C CZ . TYR D 190 ? 0.2231 0.2319 0.1531 0.0838 0.0768 0.0286 190 TYR D CZ 6596 O OH . TYR D 190 ? 0.2872 0.2556 0.1739 0.1117 0.0823 0.0368 190 TYR D OH 6597 N N . GLU D 191 ? 0.1164 0.1726 0.1258 0.0240 0.0052 0.0078 191 GLU D N 6598 C CA . GLU D 191 ? 0.1202 0.1978 0.1264 0.0245 0.0181 -0.0004 191 GLU D CA 6599 C C . GLU D 191 ? 0.1100 0.1605 0.1034 0.0266 -0.0031 0.0016 191 GLU D C 6600 O O . GLU D 191 ? 0.1142 0.1672 0.0974 0.0452 -0.0144 0.0168 191 GLU D O 6601 C CB . GLU D 191 ? 0.1553 0.2422 0.1630 0.0240 0.0475 -0.0120 191 GLU D CB 6602 C CG . GLU D 191 ? 0.1936 0.3077 0.2163 0.0271 0.0633 -0.0149 191 GLU D CG 6603 C CD . GLU D 191 ? 0.2246 0.3621 0.2625 0.0346 0.0845 -0.0108 191 GLU D CD 6604 O OE1 . GLU D 191 ? 0.2191 0.3703 0.2705 0.0569 0.0896 -0.0043 191 GLU D OE1 6605 O OE2 . GLU D 191 ? 0.2524 0.3981 0.2806 0.0216 0.0955 -0.0132 191 GLU D OE2 6606 N N . ILE D 192 ? 0.1104 0.1651 0.0842 0.0344 -0.0053 -0.0108 192 ILE D N 6607 C CA . ILE D 192 ? 0.1133 0.1669 0.0827 0.0269 -0.0128 -0.0011 192 ILE D CA 6608 C C . ILE D 192 ? 0.1164 0.1744 0.0908 0.0063 -0.0011 0.0088 192 ILE D C 6609 O O . ILE D 192 ? 0.1249 0.1881 0.1104 -0.0058 0.0190 0.0087 192 ILE D O 6610 C CB . ILE D 192 ? 0.1386 0.1663 0.0906 0.0145 -0.0212 0.0113 192 ILE D CB 6611 C CG1 . ILE D 192 ? 0.1678 0.1773 0.0911 0.0050 -0.0279 0.0185 192 ILE D CG1 6612 C CG2 . ILE D 192 ? 0.1319 0.1707 0.0953 -0.0065 -0.0137 0.0107 192 ILE D CG2 6613 C CD1 . ILE D 192 ? 0.1802 0.1659 0.1043 -0.0076 -0.0113 0.0224 192 ILE D CD1 6614 N N . ARG D 193 ? 0.1218 0.1845 0.0849 0.0061 0.0054 0.0181 193 ARG D N 6615 C CA . ARG D 193 ? 0.1353 0.1858 0.0876 0.0105 0.0180 0.0245 193 ARG D CA 6616 C C . ARG D 193 ? 0.1149 0.1832 0.0779 -0.0113 0.0094 0.0042 193 ARG D C 6617 O O . ARG D 193 ? 0.1171 0.1880 0.0749 0.0003 -0.0121 -0.0088 193 ARG D O 6618 C CB . ARG D 193 ? 0.1740 0.2204 0.0932 0.0214 0.0535 0.0298 193 ARG D CB 6619 C CG . ARG D 193 ? 0.2057 0.2692 0.1294 0.0146 0.0832 0.0286 193 ARG D CG 6620 C CD . ARG D 193 ? 0.2414 0.3279 0.1688 0.0321 0.1033 0.0127 193 ARG D CD 6621 N NE . ARG D 193 ? 0.2751 0.3806 0.2082 0.0324 0.1014 0.0005 193 ARG D NE 6622 C CZ . ARG D 193 ? 0.2943 0.4189 0.2332 0.0450 0.0988 -0.0021 193 ARG D CZ 6623 N NH1 . ARG D 193 ? 0.2966 0.4349 0.2443 0.0479 0.0886 -0.0023 193 ARG D NH1 6624 N NH2 . ARG D 193 ? 0.3038 0.4375 0.2424 0.0556 0.0985 -0.0109 193 ARG D NH2 6625 N N . GLY D 194 ? 0.1120 0.1953 0.0766 -0.0416 0.0194 0.0003 194 GLY D N 6626 C CA . GLY D 194 ? 0.1158 0.1732 0.0733 -0.0470 0.0099 0.0134 194 GLY D CA 6627 C C . GLY D 194 ? 0.1187 0.1677 0.0716 -0.0340 0.0148 0.0097 194 GLY D C 6628 O O . GLY D 194 ? 0.1328 0.1957 0.0914 -0.0087 0.0284 0.0045 194 GLY D O 6629 N N . TYR D 195 ? 0.1209 0.1510 0.0594 -0.0399 -0.0001 0.0314 195 TYR D N 6630 C CA . TYR D 195 ? 0.1144 0.1379 0.0544 -0.0238 0.0047 0.0323 195 TYR D CA 6631 C C . TYR D 195 ? 0.0995 0.1388 0.0599 -0.0149 0.0085 0.0300 195 TYR D C 6632 O O . TYR D 195 ? 0.0906 0.1361 0.0829 -0.0109 0.0046 0.0211 195 TYR D O 6633 C CB . TYR D 195 ? 0.1250 0.1349 0.0545 -0.0251 0.0079 0.0180 195 TYR D CB 6634 C CG . TYR D 195 ? 0.1102 0.1417 0.0525 -0.0074 0.0022 0.0190 195 TYR D CG 6635 C CD1 . TYR D 195 ? 0.1068 0.1518 0.0573 -0.0086 0.0191 0.0016 195 TYR D CD1 6636 C CD2 . TYR D 195 ? 0.1120 0.1338 0.0559 0.0148 0.0030 0.0026 195 TYR D CD2 6637 C CE1 . TYR D 195 ? 0.0987 0.1434 0.0550 0.0066 0.0046 0.0151 195 TYR D CE1 6638 C CE2 . TYR D 195 ? 0.1124 0.1229 0.0564 0.0197 0.0095 -0.0110 195 TYR D CE2 6639 C CZ . TYR D 195 ? 0.1040 0.1027 0.0452 0.0057 -0.0014 0.0090 195 TYR D CZ 6640 O OH . TYR D 195 ? 0.1237 0.0981 0.0553 0.0176 0.0046 0.0024 195 TYR D OH 6641 N N . VAL D 196 ? 0.0977 0.1264 0.0563 -0.0222 0.0107 0.0171 196 VAL D N 6642 C CA . VAL D 196 ? 0.0880 0.1015 0.0517 -0.0006 0.0161 0.0218 196 VAL D CA 6643 C C . VAL D 196 ? 0.0794 0.1028 0.0698 0.0076 0.0249 0.0253 196 VAL D C 6644 O O . VAL D 196 ? 0.0947 0.1182 0.0975 0.0266 0.0377 0.0445 196 VAL D O 6645 C CB . VAL D 196 ? 0.1109 0.1220 0.0420 -0.0053 0.0082 0.0182 196 VAL D CB 6646 C CG1 . VAL D 196 ? 0.1227 0.1261 0.0389 -0.0101 -0.0159 0.0067 196 VAL D CG1 6647 C CG2 . VAL D 196 ? 0.1395 0.1424 0.0500 -0.0258 0.0102 0.0202 196 VAL D CG2 6648 N N . ILE D 197 ? 0.0765 0.0935 0.0482 0.0097 0.0267 0.0186 197 ILE D N 6649 C CA . ILE D 197 ? 0.0812 0.0810 0.0583 -0.0094 0.0119 0.0108 197 ILE D CA 6650 C C . ILE D 197 ? 0.0759 0.0764 0.0730 -0.0023 0.0045 0.0122 197 ILE D C 6651 O O . ILE D 197 ? 0.0826 0.1058 0.1152 0.0259 0.0048 0.0022 197 ILE D O 6652 C CB . ILE D 197 ? 0.1055 0.0868 0.0668 0.0007 0.0097 0.0193 197 ILE D CB 6653 C CG1 . ILE D 197 ? 0.1013 0.0849 0.0810 0.0096 0.0116 0.0166 197 ILE D CG1 6654 C CG2 . ILE D 197 ? 0.1349 0.1070 0.0675 0.0117 0.0005 0.0411 197 ILE D CG2 6655 C CD1 . ILE D 197 ? 0.1158 0.1032 0.0955 0.0196 -0.0041 0.0188 197 ILE D CD1 6656 N N . ILE D 198 ? 0.0771 0.0814 0.0607 0.0011 0.0025 0.0127 198 ILE D N 6657 C CA . ILE D 198 ? 0.0878 0.1124 0.0676 0.0251 0.0124 0.0039 198 ILE D CA 6658 C C . ILE D 198 ? 0.0905 0.0999 0.0678 0.0239 0.0125 0.0210 198 ILE D C 6659 O O . ILE D 198 ? 0.1102 0.1072 0.0744 0.0205 0.0006 0.0258 198 ILE D O 6660 C CB . ILE D 198 ? 0.1060 0.1250 0.0854 0.0138 0.0223 -0.0056 198 ILE D CB 6661 C CG1 . ILE D 198 ? 0.1118 0.1683 0.1045 0.0009 0.0551 -0.0160 198 ILE D CG1 6662 C CG2 . ILE D 198 ? 0.1271 0.1031 0.0797 0.0210 0.0133 -0.0046 198 ILE D CG2 6663 C CD1 . ILE D 198 ? 0.1235 0.1833 0.1158 0.0045 0.0627 -0.0142 198 ILE D CD1 6664 N N . LYS D 199 ? 0.1015 0.0855 0.0576 0.0187 0.0007 0.0173 199 LYS D N 6665 C CA . LYS D 199 ? 0.1171 0.0707 0.0550 0.0085 -0.0042 0.0129 199 LYS D CA 6666 C C . LYS D 199 ? 0.1255 0.0719 0.0449 0.0122 0.0079 0.0138 199 LYS D C 6667 O O . LYS D 199 ? 0.1250 0.0879 0.0367 0.0062 0.0032 0.0080 199 LYS D O 6668 C CB . LYS D 199 ? 0.1355 0.0982 0.0899 0.0113 -0.0187 -0.0098 199 LYS D CB 6669 C CG . LYS D 199 ? 0.1531 0.1199 0.1183 -0.0075 -0.0442 -0.0245 199 LYS D CG 6670 C CD . LYS D 199 ? 0.1938 0.1948 0.1578 -0.0202 -0.0809 -0.0191 199 LYS D CD 6671 C CE . LYS D 199 ? 0.2317 0.2368 0.1844 -0.0182 -0.0832 -0.0039 199 LYS D CE 6672 N NZ . LYS D 199 ? 0.2587 0.2759 0.2145 -0.0180 -0.0826 -0.0033 199 LYS D NZ 6673 N N . PRO D 200 ? 0.1483 0.0770 0.0634 0.0146 0.0125 0.0257 200 PRO D N 6674 C CA . PRO D 200 ? 0.1522 0.0753 0.0644 0.0105 0.0198 0.0272 200 PRO D CA 6675 C C . PRO D 200 ? 0.1466 0.0878 0.0727 0.0162 0.0353 -0.0002 200 PRO D C 6676 O O . PRO D 200 ? 0.1525 0.0937 0.0919 0.0072 0.0298 0.0063 200 PRO D O 6677 C CB . PRO D 200 ? 0.1752 0.1105 0.0842 0.0029 0.0196 0.0471 200 PRO D CB 6678 C CG . PRO D 200 ? 0.1783 0.1179 0.0930 0.0122 0.0030 0.0536 200 PRO D CG 6679 C CD . PRO D 200 ? 0.1667 0.1182 0.0861 0.0058 0.0023 0.0250 200 PRO D CD 6680 N N . LEU D 201 ? 0.1464 0.1124 0.0751 0.0335 0.0425 -0.0110 201 LEU D N 6681 C CA . LEU D 201 ? 0.1648 0.1350 0.0904 0.0092 0.0393 -0.0355 201 LEU D CA 6682 C C . LEU D 201 ? 0.1735 0.1171 0.0942 -0.0139 0.0522 -0.0276 201 LEU D C 6683 O O . LEU D 201 ? 0.2250 0.1454 0.1339 -0.0244 0.0838 -0.0163 201 LEU D O 6684 C CB . LEU D 201 ? 0.1818 0.1491 0.1135 0.0276 0.0227 -0.0612 201 LEU D CB 6685 C CG . LEU D 201 ? 0.1950 0.1836 0.1305 0.0355 0.0129 -0.0634 201 LEU D CG 6686 C CD1 . LEU D 201 ? 0.1907 0.1714 0.1138 0.0319 0.0155 -0.0466 201 LEU D CD1 6687 C CD2 . LEU D 201 ? 0.2158 0.1863 0.1651 0.0474 -0.0001 -0.0740 201 LEU D CD2 6688 N N . VAL D 202 ? 0.1429 0.1060 0.0682 -0.0093 0.0412 -0.0037 202 VAL D N 6689 C CA . VAL D 202 ? 0.1505 0.1302 0.0750 -0.0113 0.0389 0.0029 202 VAL D CA 6690 C C . VAL D 202 ? 0.1362 0.1380 0.0872 -0.0104 0.0453 0.0135 202 VAL D C 6691 O O . VAL D 202 ? 0.1417 0.1463 0.1025 -0.0188 0.0499 0.0111 202 VAL D O 6692 C CB . VAL D 202 ? 0.1666 0.1505 0.0829 -0.0214 0.0243 0.0061 202 VAL D CB 6693 C CG1 . VAL D 202 ? 0.1942 0.1914 0.1033 -0.0223 0.0279 0.0260 202 VAL D CG1 6694 C CG2 . VAL D 202 ? 0.1619 0.1307 0.0806 -0.0320 0.0293 -0.0001 202 VAL D CG2 6695 N N . TRP D 203 ? 0.1255 0.1445 0.0953 -0.0007 0.0183 0.0137 203 TRP D N 6696 C CA . TRP D 203 ? 0.1339 0.1693 0.1091 -0.0176 0.0183 0.0042 203 TRP D CA 6697 C C . TRP D 203 ? 0.1812 0.2707 0.1899 -0.0309 -0.0196 -0.0037 203 TRP D C 6698 O O . TRP D 203 ? 0.1944 0.3193 0.2220 -0.0184 -0.0318 -0.0184 203 TRP D O 6699 C CB . TRP D 203 ? 0.1314 0.1563 0.0804 0.0055 0.0205 0.0119 203 TRP D CB 6700 C CG . TRP D 203 ? 0.1258 0.1123 0.0549 0.0357 0.0170 -0.0140 203 TRP D CG 6701 C CD1 . TRP D 203 ? 0.1328 0.1153 0.0507 0.0262 0.0037 -0.0107 203 TRP D CD1 6702 C CD2 . TRP D 203 ? 0.1244 0.1057 0.0487 0.0330 -0.0101 -0.0239 203 TRP D CD2 6703 N NE1 . TRP D 203 ? 0.1258 0.0942 0.0571 -0.0049 -0.0097 -0.0131 203 TRP D NE1 6704 C CE2 . TRP D 203 ? 0.1294 0.0871 0.0436 0.0202 -0.0133 -0.0168 203 TRP D CE2 6705 C CE3 . TRP D 203 ? 0.1335 0.1420 0.0508 0.0497 -0.0080 -0.0138 203 TRP D CE3 6706 C CZ2 . TRP D 203 ? 0.1436 0.0951 0.0484 0.0261 -0.0203 -0.0130 203 TRP D CZ2 6707 C CZ3 . TRP D 203 ? 0.1413 0.1487 0.0538 0.0395 -0.0130 -0.0220 203 TRP D CZ3 6708 C CH2 . TRP D 203 ? 0.1314 0.1245 0.0477 0.0335 -0.0205 -0.0011 203 TRP D CH2 6709 N N . VAL D 204 ? 0.2474 0.3096 0.2379 -0.0484 -0.0461 -0.0121 204 VAL D N 6710 C CA . VAL D 204 ? 0.3339 0.4086 0.2913 -0.0273 -0.0346 0.0026 204 VAL D CA 6711 C C . VAL D 204 ? 0.3980 0.4745 0.3365 -0.0091 0.0048 0.0118 204 VAL D C 6712 O O . VAL D 204 ? 0.4170 0.5000 0.3499 -0.0144 0.0216 0.0124 204 VAL D O 6713 C CB . VAL D 204 ? 0.3505 0.4435 0.3019 -0.0280 -0.0503 -0.0026 204 VAL D CB 6714 C CG1 . VAL D 204 ? 0.3625 0.4623 0.3144 -0.0243 -0.0488 -0.0050 204 VAL D CG1 6715 C CG2 . VAL D 204 ? 0.3522 0.4524 0.2977 -0.0344 -0.0622 0.0051 204 VAL D CG2 6716 O OXT . VAL D 204 ? 0.4293 0.4959 0.3566 0.0129 0.0130 0.0157 204 VAL D OXT 6717 N N . HIS E 1 ? 0.2562 0.4740 0.2639 -0.0691 -0.0537 0.0880 1 HIS E N 6718 C CA . HIS E 1 ? 0.2558 0.4521 0.2604 -0.0615 -0.0515 0.0955 1 HIS E CA 6719 C C . HIS E 1 ? 0.2376 0.3623 0.2201 -0.0551 -0.0605 0.1082 1 HIS E C 6720 O O . HIS E 1 ? 0.2478 0.3781 0.2304 -0.0551 -0.0650 0.1197 1 HIS E O 6721 C CB . HIS E 1 ? 0.2801 0.5242 0.2966 -0.0664 -0.0420 0.0818 1 HIS E CB 6722 C CG . HIS E 1 ? 0.3148 0.5929 0.3396 -0.0591 -0.0209 0.0594 1 HIS E CG 6723 N ND1 . HIS E 1 ? 0.3299 0.6220 0.3578 -0.0560 -0.0129 0.0479 1 HIS E ND1 6724 C CD2 . HIS E 1 ? 0.3288 0.6239 0.3567 -0.0539 -0.0098 0.0460 1 HIS E CD2 6725 C CE1 . HIS E 1 ? 0.3364 0.6337 0.3639 -0.0544 -0.0010 0.0438 1 HIS E CE1 6726 N NE2 . HIS E 1 ? 0.3417 0.6380 0.3669 -0.0533 0.0002 0.0419 1 HIS E NE2 6727 N N . THR E 2 ? 0.2111 0.2647 0.1803 -0.0494 -0.0609 0.0795 2 THR E N 6728 C CA . THR E 2 ? 0.2029 0.1906 0.1337 -0.0127 -0.0517 0.0578 2 THR E CA 6729 C C . THR E 2 ? 0.1683 0.1443 0.1031 -0.0048 -0.0290 0.0437 2 THR E C 6730 O O . THR E 2 ? 0.1653 0.0971 0.0991 -0.0211 -0.0168 0.0420 2 THR E O 6731 C CB . THR E 2 ? 0.2545 0.2183 0.1296 -0.0122 -0.0628 0.0207 2 THR E CB 6732 O OG1 . THR E 2 ? 0.2943 0.2468 0.1466 -0.0233 -0.0717 -0.0279 2 THR E OG1 6733 C CG2 . THR E 2 ? 0.2662 0.2262 0.1229 0.0069 -0.0531 0.0360 2 THR E CG2 6734 N N . ASP E 3 ? 0.1390 0.1419 0.0718 -0.0075 -0.0191 0.0391 3 ASP E N 6735 C CA . ASP E 3 ? 0.1342 0.1073 0.0704 0.0040 0.0112 0.0369 3 ASP E CA 6736 C C . ASP E 3 ? 0.1276 0.0958 0.0683 0.0179 0.0272 0.0261 3 ASP E C 6737 O O . ASP E 3 ? 0.1436 0.1121 0.0732 0.0111 0.0309 0.0311 3 ASP E O 6738 C CB . ASP E 3 ? 0.1544 0.1021 0.0866 0.0023 0.0168 0.0493 3 ASP E CB 6739 C CG . ASP E 3 ? 0.1674 0.0963 0.0971 -0.0024 0.0089 0.0525 3 ASP E CG 6740 O OD1 . ASP E 3 ? 0.1673 0.1020 0.0860 0.0164 -0.0025 0.0333 3 ASP E OD1 6741 O OD2 . ASP E 3 ? 0.2058 0.1228 0.1251 -0.0099 0.0054 0.0497 3 ASP E OD2 6742 N N . LEU E 4 ? 0.1152 0.0837 0.0560 0.0101 0.0220 0.0231 4 LEU E N 6743 C CA . LEU E 4 ? 0.1073 0.0833 0.0510 -0.0052 0.0159 0.0220 4 LEU E CA 6744 C C . LEU E 4 ? 0.1100 0.0634 0.0510 -0.0096 0.0101 0.0245 4 LEU E C 6745 O O . LEU E 4 ? 0.1010 0.0693 0.0589 -0.0059 0.0022 0.0201 4 LEU E O 6746 C CB . LEU E 4 ? 0.1126 0.1082 0.0577 0.0082 -0.0036 0.0113 4 LEU E CB 6747 C CG . LEU E 4 ? 0.1264 0.1022 0.0660 -0.0168 0.0068 0.0054 4 LEU E CG 6748 C CD1 . LEU E 4 ? 0.1551 0.1146 0.0812 -0.0332 -0.0061 0.0276 4 LEU E CD1 6749 C CD2 . LEU E 4 ? 0.1473 0.1045 0.0708 -0.0072 0.0129 -0.0171 4 LEU E CD2 6750 N N . SER E 5 ? 0.1246 0.0714 0.0573 -0.0106 0.0051 0.0205 5 SER E N 6751 C CA . SER E 5 ? 0.1294 0.0417 0.0717 -0.0017 0.0123 0.0094 5 SER E CA 6752 C C . SER E 5 ? 0.1199 0.0578 0.0795 -0.0098 0.0043 0.0115 5 SER E C 6753 O O . SER E 5 ? 0.1451 0.0791 0.0959 0.0079 0.0248 0.0136 5 SER E O 6754 C CB . SER E 5 ? 0.1360 0.0543 0.0928 0.0106 0.0236 0.0060 5 SER E CB 6755 O OG . SER E 5 ? 0.1597 0.0777 0.1116 0.0172 0.0409 0.0192 5 SER E OG 6756 N N . GLY E 6 ? 0.1132 0.0481 0.0905 -0.0119 0.0037 -0.0094 6 GLY E N 6757 C CA . GLY E 6 ? 0.1150 0.0638 0.0960 -0.0044 0.0004 -0.0077 6 GLY E CA 6758 C C . GLY E 6 ? 0.1016 0.0322 0.0823 -0.0014 -0.0040 0.0167 6 GLY E C 6759 O O . GLY E 6 ? 0.1212 0.0477 0.0890 0.0030 -0.0002 0.0220 6 GLY E O 6760 N N . LYS E 7 ? 0.1090 0.0448 0.0845 -0.0059 0.0200 0.0147 7 LYS E N 6761 C CA . LYS E 7 ? 0.1139 0.0555 0.0757 0.0024 0.0047 0.0037 7 LYS E CA 6762 C C . LYS E 7 ? 0.1017 0.0476 0.0473 0.0072 0.0048 -0.0033 7 LYS E C 6763 O O . LYS E 7 ? 0.1164 0.0492 0.0629 0.0258 0.0196 0.0116 7 LYS E O 6764 C CB . LYS E 7 ? 0.1549 0.0852 0.1014 -0.0152 0.0030 0.0111 7 LYS E CB 6765 C CG . LYS E 7 ? 0.2083 0.0970 0.1306 -0.0222 0.0124 0.0161 7 LYS E CG 6766 C CD . LYS E 7 ? 0.2407 0.1576 0.1719 -0.0204 0.0309 0.0144 7 LYS E CD 6767 C CE . LYS E 7 ? 0.2772 0.2423 0.2153 -0.0289 0.0496 0.0086 7 LYS E CE 6768 N NZ . LYS E 7 ? 0.3030 0.3124 0.2477 -0.0248 0.0541 0.0082 7 LYS E NZ 6769 N N . VAL E 8 ? 0.1014 0.0392 0.0310 -0.0067 0.0037 0.0038 8 VAL E N 6770 C CA . VAL E 8 ? 0.0856 0.0369 0.0369 -0.0122 -0.0002 0.0087 8 VAL E CA 6771 C C . VAL E 8 ? 0.0734 0.0405 0.0300 -0.0136 0.0051 0.0103 8 VAL E C 6772 O O . VAL E 8 ? 0.0919 0.0728 0.0394 -0.0146 0.0245 0.0037 8 VAL E O 6773 C CB . VAL E 8 ? 0.0916 0.0886 0.0461 -0.0041 0.0014 0.0190 8 VAL E CB 6774 C CG1 . VAL E 8 ? 0.0967 0.1397 0.0690 -0.0042 -0.0055 -0.0026 8 VAL E CG1 6775 C CG2 . VAL E 8 ? 0.0669 0.0825 0.0620 -0.0085 0.0026 0.0148 8 VAL E CG2 6776 N N . PHE E 9 ? 0.0776 0.0325 0.0363 -0.0197 0.0070 0.0031 9 PHE E N 6777 C CA . PHE E 9 ? 0.0784 0.0337 0.0323 -0.0198 -0.0011 0.0063 9 PHE E CA 6778 C C . PHE E 9 ? 0.0785 0.0433 0.0243 -0.0087 0.0101 -0.0046 9 PHE E C 6779 O O . PHE E 9 ? 0.0885 0.0659 0.0266 0.0093 0.0076 -0.0058 9 PHE E O 6780 C CB . PHE E 9 ? 0.0846 0.0549 0.0428 -0.0230 0.0028 0.0125 9 PHE E CB 6781 C CG . PHE E 9 ? 0.0919 0.0526 0.0753 -0.0136 0.0099 0.0112 9 PHE E CG 6782 C CD1 . PHE E 9 ? 0.0986 0.0739 0.0899 -0.0005 -0.0058 0.0217 9 PHE E CD1 6783 C CD2 . PHE E 9 ? 0.0844 0.0769 0.0891 -0.0079 0.0028 0.0115 9 PHE E CD2 6784 C CE1 . PHE E 9 ? 0.0937 0.1143 0.0964 -0.0119 -0.0202 0.0164 9 PHE E CE1 6785 C CE2 . PHE E 9 ? 0.0910 0.0910 0.1012 -0.0021 -0.0007 0.0091 9 PHE E CE2 6786 C CZ . PHE E 9 ? 0.0902 0.0900 0.1062 -0.0109 -0.0184 0.0226 9 PHE E CZ 6787 N N . VAL E 10 ? 0.0871 0.0331 0.0244 0.0086 0.0067 0.0007 10 VAL E N 6788 C CA . VAL E 10 ? 0.0886 0.0332 0.0329 0.0024 0.0213 -0.0008 10 VAL E CA 6789 C C . VAL E 10 ? 0.0795 0.0368 0.0284 -0.0154 0.0161 -0.0033 10 VAL E C 6790 O O . VAL E 10 ? 0.0818 0.0611 0.0241 -0.0109 0.0069 -0.0022 10 VAL E O 6791 C CB . VAL E 10 ? 0.0839 0.0622 0.0405 0.0001 0.0272 -0.0086 10 VAL E CB 6792 C CG1 . VAL E 10 ? 0.0758 0.0859 0.0491 -0.0170 0.0306 -0.0065 10 VAL E CG1 6793 C CG2 . VAL E 10 ? 0.0916 0.0778 0.0554 -0.0119 0.0299 -0.0007 10 VAL E CG2 6794 N N . PHE E 11 ? 0.0853 0.0456 0.0276 -0.0154 0.0125 -0.0006 11 PHE E N 6795 C CA . PHE E 11 ? 0.0838 0.0363 0.0320 -0.0146 0.0131 -0.0007 11 PHE E CA 6796 C C . PHE E 11 ? 0.0834 0.0527 0.0362 -0.0211 0.0218 -0.0054 11 PHE E C 6797 O O . PHE E 11 ? 0.0827 0.0539 0.0338 -0.0174 0.0101 -0.0007 11 PHE E O 6798 C CB . PHE E 11 ? 0.0727 0.0614 0.0492 -0.0153 0.0099 0.0256 11 PHE E CB 6799 C CG . PHE E 11 ? 0.0775 0.0761 0.0653 -0.0103 0.0122 0.0312 11 PHE E CG 6800 C CD1 . PHE E 11 ? 0.0873 0.1084 0.0731 0.0207 0.0337 0.0328 11 PHE E CD1 6801 C CD2 . PHE E 11 ? 0.0779 0.1061 0.0834 -0.0149 0.0169 0.0445 11 PHE E CD2 6802 C CE1 . PHE E 11 ? 0.0989 0.1275 0.0801 0.0245 0.0416 0.0357 11 PHE E CE1 6803 C CE2 . PHE E 11 ? 0.0773 0.1291 0.0805 -0.0055 0.0310 0.0348 11 PHE E CE2 6804 C CZ . PHE E 11 ? 0.0846 0.1243 0.0833 0.0133 0.0376 0.0380 11 PHE E CZ 6805 N N . PRO E 12 ? 0.0849 0.0508 0.0343 -0.0018 0.0222 -0.0064 12 PRO E N 6806 C CA . PRO E 12 ? 0.0958 0.0723 0.0489 -0.0273 0.0274 0.0010 12 PRO E CA 6807 C C . PRO E 12 ? 0.0794 0.0555 0.0470 -0.0215 0.0253 -0.0085 12 PRO E C 6808 O O . PRO E 12 ? 0.0765 0.0744 0.0726 -0.0268 0.0243 -0.0172 12 PRO E O 6809 C CB . PRO E 12 ? 0.0976 0.0923 0.0573 -0.0030 0.0402 0.0042 12 PRO E CB 6810 C CG . PRO E 12 ? 0.1158 0.0879 0.0549 -0.0011 0.0326 0.0074 12 PRO E CG 6811 C CD . PRO E 12 ? 0.1016 0.0593 0.0396 0.0059 0.0267 -0.0008 12 PRO E CD 6812 N N . ARG E 13 ? 0.0942 0.0629 0.0605 -0.0155 0.0165 -0.0066 13 ARG E N 6813 C CA . ARG E 13 ? 0.1144 0.0607 0.0845 -0.0102 0.0368 -0.0054 13 ARG E CA 6814 C C . ARG E 13 ? 0.0959 0.0577 0.1074 -0.0185 0.0225 0.0024 13 ARG E C 6815 O O . ARG E 13 ? 0.0959 0.0821 0.1192 -0.0053 0.0291 0.0115 13 ARG E O 6816 C CB . ARG E 13 ? 0.1490 0.0908 0.0997 -0.0128 0.0304 -0.0171 13 ARG E CB 6817 C CG . ARG E 13 ? 0.2012 0.1299 0.1257 0.0205 0.0111 -0.0138 13 ARG E CG 6818 C CD . ARG E 13 ? 0.2095 0.1225 0.1443 0.0184 0.0071 -0.0258 13 ARG E CD 6819 N NE . ARG E 13 ? 0.2051 0.0912 0.1339 0.0074 0.0103 -0.0286 13 ARG E NE 6820 C CZ . ARG E 13 ? 0.2265 0.1161 0.1490 -0.0197 0.0334 -0.0220 13 ARG E CZ 6821 N NH1 . ARG E 13 ? 0.2486 0.1720 0.1746 -0.0071 0.0516 -0.0240 13 ARG E NH1 6822 N NH2 . ARG E 13 ? 0.2427 0.1256 0.1316 -0.0502 0.0320 -0.0274 13 ARG E NH2 6823 N N . GLU E 14 ? 0.0900 0.0413 0.1107 -0.0083 0.0298 0.0139 14 GLU E N 6824 C CA . GLU E 14 ? 0.1025 0.0602 0.0968 -0.0191 0.0330 0.0213 14 GLU E CA 6825 C C . GLU E 14 ? 0.1123 0.0640 0.0920 -0.0319 0.0368 0.0049 14 GLU E C 6826 O O . GLU E 14 ? 0.1239 0.0858 0.1017 -0.0010 0.0366 -0.0127 14 GLU E O 6827 C CB . GLU E 14 ? 0.1203 0.0448 0.1035 -0.0090 0.0365 0.0116 14 GLU E CB 6828 C CG . GLU E 14 ? 0.1618 0.0782 0.1145 -0.0118 0.0440 0.0006 14 GLU E CG 6829 C CD . GLU E 14 ? 0.2225 0.0982 0.1278 -0.0035 0.0497 -0.0077 14 GLU E CD 6830 O OE1 . GLU E 14 ? 0.2226 0.1202 0.1285 0.0034 0.0643 -0.0043 14 GLU E OE1 6831 O OE2 . GLU E 14 ? 0.2686 0.1052 0.1283 0.0020 0.0392 -0.0237 14 GLU E OE2 6832 N N . SER E 15 ? 0.1287 0.0602 0.1045 -0.0393 0.0263 -0.0161 15 SER E N 6833 C CA . SER E 15 ? 0.1230 0.0772 0.0976 -0.0194 0.0345 -0.0111 15 SER E CA 6834 C C . SER E 15 ? 0.1174 0.0634 0.0995 -0.0356 0.0403 -0.0212 15 SER E C 6835 O O . SER E 15 ? 0.1195 0.0683 0.1051 -0.0142 0.0362 -0.0115 15 SER E O 6836 C CB . SER E 15 ? 0.1422 0.0601 0.1098 0.0109 0.0416 -0.0152 15 SER E CB 6837 O OG . SER E 15 ? 0.1409 0.0910 0.1031 0.0167 0.0419 -0.0010 15 SER E OG 6838 N N . VAL E 16 ? 0.1195 0.0665 0.1208 -0.0352 0.0416 -0.0317 16 VAL E N 6839 C CA . VAL E 16 ? 0.1389 0.1276 0.1585 -0.0455 0.0391 -0.0296 16 VAL E CA 6840 C C . VAL E 16 ? 0.1546 0.1743 0.1810 -0.0099 0.0249 -0.0184 16 VAL E C 6841 O O . VAL E 16 ? 0.1706 0.2699 0.2228 0.0148 0.0416 0.0199 16 VAL E O 6842 C CB . VAL E 16 ? 0.1755 0.1951 0.1885 -0.0682 0.0567 -0.0191 16 VAL E CB 6843 C CG1 . VAL E 16 ? 0.1889 0.2249 0.2030 -0.0637 0.0399 -0.0238 16 VAL E CG1 6844 C CG2 . VAL E 16 ? 0.1995 0.2176 0.2121 -0.0387 0.0746 -0.0179 16 VAL E CG2 6845 N N . THR E 17 ? 0.1730 0.1277 0.1598 -0.0044 -0.0127 -0.0309 17 THR E N 6846 C CA . THR E 17 ? 0.2048 0.1454 0.1450 0.0070 -0.0112 -0.0449 17 THR E CA 6847 C C . THR E 17 ? 0.1759 0.1265 0.1215 0.0222 -0.0115 -0.0339 17 THR E C 6848 O O . THR E 17 ? 0.1855 0.1502 0.1485 0.0278 -0.0397 -0.0246 17 THR E O 6849 C CB . THR E 17 ? 0.2507 0.2097 0.1611 0.0296 0.0058 -0.0451 17 THR E CB 6850 O OG1 . THR E 17 ? 0.2834 0.2140 0.1766 0.0355 0.0177 -0.0503 17 THR E OG1 6851 C CG2 . THR E 17 ? 0.2702 0.2522 0.1679 0.0502 0.0052 -0.0340 17 THR E CG2 6852 N N . ASP E 18 ? 0.1586 0.1081 0.0713 0.0170 0.0148 -0.0370 18 ASP E N 6853 C CA . ASP E 18 ? 0.1458 0.1165 0.0736 0.0152 0.0238 -0.0106 18 ASP E CA 6854 C C . ASP E 18 ? 0.1142 0.0986 0.0620 0.0096 0.0280 0.0009 18 ASP E C 6855 O O . ASP E 18 ? 0.1097 0.0993 0.0606 -0.0105 0.0374 0.0018 18 ASP E O 6856 C CB . ASP E 18 ? 0.1436 0.1138 0.0805 0.0242 0.0377 0.0011 18 ASP E CB 6857 C CG . ASP E 18 ? 0.1646 0.1196 0.0906 0.0126 0.0310 -0.0143 18 ASP E CG 6858 O OD1 . ASP E 18 ? 0.1715 0.1205 0.0953 -0.0019 0.0160 -0.0233 18 ASP E OD1 6859 O OD2 . ASP E 18 ? 0.1741 0.1265 0.0851 0.0260 0.0393 0.0000 18 ASP E OD2 6860 N N . HIS E 19 ? 0.0923 0.0611 0.0492 0.0085 0.0134 -0.0177 19 HIS E N 6861 C CA . HIS E 19 ? 0.0969 0.0804 0.0499 -0.0024 0.0122 -0.0157 19 HIS E CA 6862 C C . HIS E 19 ? 0.1069 0.0759 0.0378 0.0096 0.0155 -0.0018 19 HIS E C 6863 O O . HIS E 19 ? 0.1141 0.0853 0.0344 -0.0004 0.0147 0.0083 19 HIS E O 6864 C CB . HIS E 19 ? 0.1068 0.0860 0.0757 -0.0088 0.0346 -0.0009 19 HIS E CB 6865 C CG . HIS E 19 ? 0.1155 0.1364 0.1000 -0.0045 0.0274 0.0072 19 HIS E CG 6866 N ND1 . HIS E 19 ? 0.1266 0.1590 0.1135 -0.0178 -0.0049 0.0076 19 HIS E ND1 6867 C CD2 . HIS E 19 ? 0.1243 0.1622 0.1090 -0.0194 0.0254 0.0072 19 HIS E CD2 6868 C CE1 . HIS E 19 ? 0.1214 0.1743 0.1149 -0.0291 -0.0066 0.0064 19 HIS E CE1 6869 N NE2 . HIS E 19 ? 0.1275 0.1962 0.1225 -0.0281 0.0083 0.0175 19 HIS E NE2 6870 N N . VAL E 20 ? 0.0985 0.0791 0.0355 -0.0116 0.0031 0.0070 20 VAL E N 6871 C CA . VAL E 20 ? 0.0871 0.0909 0.0323 -0.0158 0.0006 0.0156 20 VAL E CA 6872 C C . VAL E 20 ? 0.0858 0.0956 0.0345 -0.0125 0.0136 0.0117 20 VAL E C 6873 O O . VAL E 20 ? 0.0941 0.1163 0.0408 -0.0107 0.0056 -0.0032 20 VAL E O 6874 C CB . VAL E 20 ? 0.0911 0.0856 0.0555 -0.0141 -0.0009 0.0045 20 VAL E CB 6875 C CG1 . VAL E 20 ? 0.1065 0.0994 0.1062 -0.0113 -0.0079 -0.0030 20 VAL E CG1 6876 C CG2 . VAL E 20 ? 0.0942 0.1125 0.0542 -0.0151 0.0099 0.0037 20 VAL E CG2 6877 N N . ASN E 21 ? 0.0815 0.1123 0.0430 0.0009 0.0186 0.0023 21 ASN E N 6878 C CA . ASN E 21 ? 0.1103 0.1235 0.0576 -0.0121 0.0229 -0.0071 21 ASN E CA 6879 C C . ASN E 21 ? 0.1153 0.0997 0.0654 0.0139 0.0308 0.0116 21 ASN E C 6880 O O . ASN E 21 ? 0.1321 0.1098 0.0732 0.0138 0.0341 -0.0027 21 ASN E O 6881 C CB . ASN E 21 ? 0.1324 0.1671 0.0743 -0.0345 0.0002 -0.0006 21 ASN E CB 6882 C CG . ASN E 21 ? 0.1798 0.2538 0.1115 -0.0483 0.0029 -0.0203 21 ASN E CG 6883 O OD1 . ASN E 21 ? 0.2122 0.2718 0.1363 -0.0321 0.0144 -0.0190 21 ASN E OD1 6884 N ND2 . ASN E 21 ? 0.1983 0.3119 0.1341 -0.0459 0.0080 -0.0318 21 ASN E ND2 6885 N N . LEU E 22 ? 0.1129 0.0883 0.0779 0.0143 0.0311 0.0374 22 LEU E N 6886 C CA . LEU E 22 ? 0.1212 0.1032 0.1043 0.0156 0.0286 0.0302 22 LEU E CA 6887 C C . LEU E 22 ? 0.1355 0.1404 0.1344 0.0258 0.0337 0.0394 22 LEU E C 6888 O O . LEU E 22 ? 0.1525 0.1423 0.1283 0.0076 0.0361 0.0523 22 LEU E O 6889 C CB . LEU E 22 ? 0.1167 0.1005 0.1004 0.0139 0.0298 0.0139 22 LEU E CB 6890 C CG . LEU E 22 ? 0.1130 0.1000 0.1117 -0.0051 0.0346 -0.0007 22 LEU E CG 6891 C CD1 . LEU E 22 ? 0.1274 0.1104 0.1189 -0.0136 0.0318 0.0053 22 LEU E CD1 6892 C CD2 . LEU E 22 ? 0.1266 0.0828 0.1255 -0.0089 0.0480 -0.0041 22 LEU E CD2 6893 N N A ILE E 23 ? 0.1417 0.1709 0.1599 0.0391 0.0272 0.0463 23 ILE E N 6894 N N B ILE E 23 ? 0.1353 0.1629 0.1564 0.0423 0.0318 0.0496 23 ILE E N 6895 C CA A ILE E 23 ? 0.1626 0.2206 0.1904 0.0347 0.0168 0.0447 23 ILE E CA 6896 C CA B ILE E 23 ? 0.1630 0.2165 0.1898 0.0290 0.0198 0.0489 23 ILE E CA 6897 C C A ILE E 23 ? 0.1599 0.2261 0.2120 0.0318 0.0243 0.0318 23 ILE E C 6898 C C B ILE E 23 ? 0.1587 0.2228 0.2101 0.0311 0.0264 0.0379 23 ILE E C 6899 O O A ILE E 23 ? 0.1416 0.2102 0.2152 0.0182 0.0216 0.0225 23 ILE E O 6900 O O B ILE E 23 ? 0.1389 0.2033 0.2134 0.0171 0.0281 0.0295 23 ILE E O 6901 C CB A ILE E 23 ? 0.1888 0.2663 0.2002 0.0409 -0.0015 0.0499 23 ILE E CB 6902 C CB B ILE E 23 ? 0.1983 0.2604 0.2070 0.0302 -0.0024 0.0524 23 ILE E CB 6903 C CG1 A ILE E 23 ? 0.2045 0.2902 0.1961 0.0450 -0.0072 0.0560 23 ILE E CG1 6904 C CG1 B ILE E 23 ? 0.2213 0.2764 0.2070 0.0244 -0.0089 0.0579 23 ILE E CG1 6905 C CG2 A ILE E 23 ? 0.1933 0.2781 0.2117 0.0378 -0.0065 0.0435 23 ILE E CG2 6906 C CG2 B ILE E 23 ? 0.2057 0.2744 0.2234 0.0288 -0.0093 0.0418 23 ILE E CG2 6907 C CD1 A ILE E 23 ? 0.2137 0.3051 0.1945 0.0470 -0.0032 0.0552 23 ILE E CD1 6908 C CD1 B ILE E 23 ? 0.2388 0.2915 0.2127 0.0170 -0.0024 0.0539 23 ILE E CD1 6909 N N . THR E 24 ? 0.1851 0.2583 0.2326 0.0385 0.0403 0.0161 24 THR E N 6910 C CA . THR E 24 ? 0.2329 0.3551 0.2717 0.0395 0.0586 -0.0228 24 THR E CA 6911 C C . THR E 24 ? 0.2675 0.4623 0.3011 0.0677 0.0729 -0.0242 24 THR E C 6912 O O . THR E 24 ? 0.2438 0.4967 0.2942 0.0526 0.0755 -0.0371 24 THR E O 6913 C CB . THR E 24 ? 0.2507 0.3328 0.2806 0.0153 0.0323 -0.0672 24 THR E CB 6914 O OG1 . THR E 24 ? 0.2479 0.3236 0.2855 0.0073 0.0095 -0.0793 24 THR E OG1 6915 C CG2 . THR E 24 ? 0.2689 0.3244 0.2847 0.0046 0.0333 -0.0723 24 THR E CG2 6916 N N . PRO E 25 ? 0.3261 0.5382 0.3393 0.0881 0.0787 -0.0167 25 PRO E N 6917 C CA . PRO E 25 ? 0.3562 0.5743 0.3560 0.1215 0.0614 -0.0029 25 PRO E CA 6918 C C . PRO E 25 ? 0.3691 0.6059 0.3556 0.1560 0.0330 0.0106 25 PRO E C 6919 O O . PRO E 25 ? 0.3664 0.6187 0.3625 0.1641 0.0258 0.0025 25 PRO E O 6920 C CB . PRO E 25 ? 0.3585 0.5712 0.3616 0.1125 0.0687 -0.0030 25 PRO E CB 6921 C CG . PRO E 25 ? 0.3534 0.5639 0.3599 0.1008 0.0745 -0.0126 25 PRO E CG 6922 C CD . PRO E 25 ? 0.3445 0.5534 0.3516 0.0897 0.0875 -0.0215 25 PRO E CD 6923 N N . LEU E 26 ? 0.3801 0.6182 0.3447 0.1683 0.0098 0.0260 26 LEU E N 6924 C CA . LEU E 26 ? 0.3879 0.6234 0.3350 0.1758 -0.0103 0.0299 26 LEU E CA 6925 C C . LEU E 26 ? 0.3899 0.6145 0.3265 0.1936 -0.0464 0.0179 26 LEU E C 6926 O O . LEU E 26 ? 0.3887 0.6301 0.3273 0.1908 -0.0516 0.0100 26 LEU E O 6927 C CB . LEU E 26 ? 0.4005 0.6396 0.3342 0.1581 -0.0029 0.0357 26 LEU E CB 6928 C CG . LEU E 26 ? 0.4139 0.6493 0.3355 0.1450 -0.0045 0.0399 26 LEU E CG 6929 C CD1 . LEU E 26 ? 0.4133 0.6523 0.3353 0.1398 -0.0037 0.0409 26 LEU E CD1 6930 C CD2 . LEU E 26 ? 0.4232 0.6536 0.3346 0.1401 -0.0101 0.0403 26 LEU E CD2 6931 N N . GLU E 27 ? 0.3951 0.5889 0.3200 0.1960 -0.0634 0.0167 27 GLU E N 6932 C CA . GLU E 27 ? 0.4053 0.5675 0.3249 0.1860 -0.0807 0.0219 27 GLU E CA 6933 C C . GLU E 27 ? 0.3885 0.4932 0.3116 0.1574 -0.0810 0.0231 27 GLU E C 6934 O O . GLU E 27 ? 0.4072 0.5120 0.3282 0.1431 -0.0716 -0.0040 27 GLU E O 6935 C CB . GLU E 27 ? 0.4330 0.6238 0.3488 0.1880 -0.0885 0.0257 27 GLU E CB 6936 C CG . GLU E 27 ? 0.4679 0.6702 0.3764 0.1816 -0.0776 0.0259 27 GLU E CG 6937 C CD . GLU E 27 ? 0.4964 0.7068 0.3986 0.1741 -0.0623 0.0218 27 GLU E CD 6938 O OE1 . GLU E 27 ? 0.5012 0.7220 0.4081 0.1741 -0.0531 0.0232 27 GLU E OE1 6939 O OE2 . GLU E 27 ? 0.5128 0.7175 0.4046 0.1667 -0.0550 0.0165 27 GLU E OE2 6940 N N A LYS E 28 ? 0.3753 0.4497 0.2921 0.1461 -0.0861 0.0366 28 LYS E N 6941 N N B LYS E 28 ? 0.3727 0.4464 0.2939 0.1485 -0.0886 0.0378 28 LYS E N 6942 C CA A LYS E 28 ? 0.3661 0.4147 0.2734 0.1216 -0.0877 0.0429 28 LYS E CA 6943 C CA B LYS E 28 ? 0.3633 0.4122 0.2784 0.1200 -0.0915 0.0422 28 LYS E CA 6944 C C A LYS E 28 ? 0.3361 0.3515 0.2407 0.0964 -0.0935 0.0377 28 LYS E C 6945 C C B LYS E 28 ? 0.3348 0.3486 0.2433 0.0953 -0.0951 0.0376 28 LYS E C 6946 O O A LYS E 28 ? 0.3406 0.3468 0.2410 0.0871 -0.0883 0.0480 28 LYS E O 6947 O O B LYS E 28 ? 0.3411 0.3450 0.2450 0.0812 -0.0857 0.0472 28 LYS E O 6948 C CB A LYS E 28 ? 0.3887 0.4496 0.2886 0.1134 -0.0769 0.0442 28 LYS E CB 6949 C CB B LYS E 28 ? 0.3856 0.4516 0.3009 0.1026 -0.0815 0.0377 28 LYS E CB 6950 C CG A LYS E 28 ? 0.4042 0.4737 0.3020 0.1111 -0.0703 0.0473 28 LYS E CG 6951 C CG B LYS E 28 ? 0.3965 0.4780 0.3211 0.0948 -0.0789 0.0349 28 LYS E CG 6952 C CD A LYS E 28 ? 0.4207 0.4925 0.3180 0.1077 -0.0625 0.0475 28 LYS E CD 6953 C CD B LYS E 28 ? 0.4105 0.5008 0.3393 0.0820 -0.0697 0.0260 28 LYS E CD 6954 C CE A LYS E 28 ? 0.4340 0.5064 0.3310 0.1045 -0.0537 0.0467 28 LYS E CE 6955 C CE B LYS E 28 ? 0.4202 0.5132 0.3532 0.0726 -0.0625 0.0204 28 LYS E CE 6956 N NZ A LYS E 28 ? 0.4420 0.5107 0.3369 0.1034 -0.0486 0.0449 28 LYS E NZ 6957 N NZ B LYS E 28 ? 0.4266 0.5254 0.3609 0.0642 -0.0601 0.0161 28 LYS E NZ 6958 N N . PRO E 29 ? 0.3037 0.3044 0.2089 0.0729 -0.0975 0.0163 29 PRO E N 6959 C CA . PRO E 29 ? 0.2637 0.2416 0.1709 0.0557 -0.1016 0.0090 29 PRO E CA 6960 C C . PRO E 29 ? 0.2437 0.1990 0.1470 0.0300 -0.0744 0.0025 29 PRO E C 6961 O O . PRO E 29 ? 0.2631 0.2254 0.1575 0.0380 -0.0747 -0.0079 29 PRO E O 6962 C CB . PRO E 29 ? 0.2613 0.2508 0.1674 0.0510 -0.1054 0.0092 29 PRO E CB 6963 C CG . PRO E 29 ? 0.2797 0.2783 0.1771 0.0468 -0.0989 0.0136 29 PRO E CG 6964 C CD . PRO E 29 ? 0.2891 0.2968 0.1931 0.0688 -0.0953 0.0129 29 PRO E CD 6965 N N . LEU E 30 ? 0.1967 0.1504 0.1049 -0.0007 -0.0621 0.0158 30 LEU E N 6966 C CA . LEU E 30 ? 0.1709 0.1561 0.1066 -0.0183 -0.0408 0.0230 30 LEU E CA 6967 C C . LEU E 30 ? 0.1475 0.1409 0.1046 -0.0143 -0.0278 0.0403 30 LEU E C 6968 O O . LEU E 30 ? 0.1627 0.1355 0.1073 -0.0225 -0.0077 0.0259 30 LEU E O 6969 C CB . LEU E 30 ? 0.1977 0.1747 0.1285 -0.0306 -0.0042 0.0230 30 LEU E CB 6970 C CG . LEU E 30 ? 0.2298 0.2103 0.1556 -0.0523 0.0171 0.0150 30 LEU E CG 6971 C CD1 . LEU E 30 ? 0.2252 0.2280 0.1562 -0.0720 0.0218 -0.0123 30 LEU E CD1 6972 C CD2 . LEU E 30 ? 0.2479 0.2056 0.1699 -0.0561 0.0298 0.0416 30 LEU E CD2 6973 N N . GLN E 31 ? 0.1235 0.1454 0.1124 -0.0125 -0.0424 0.0326 31 GLN E N 6974 C CA . GLN E 31 ? 0.1392 0.1466 0.1332 0.0010 -0.0138 0.0144 31 GLN E CA 6975 C C . GLN E 31 ? 0.1303 0.1255 0.0886 0.0168 -0.0130 0.0332 31 GLN E C 6976 O O . GLN E 31 ? 0.1631 0.1456 0.0875 -0.0056 -0.0069 0.0500 31 GLN E O 6977 C CB . GLN E 31 ? 0.1661 0.2278 0.2052 0.0163 0.0107 0.0119 31 GLN E CB 6978 C CG . GLN E 31 ? 0.2076 0.2757 0.2548 0.0401 0.0115 0.0285 31 GLN E CG 6979 C CD . GLN E 31 ? 0.2233 0.2963 0.2849 0.0653 0.0107 0.0545 31 GLN E CD 6980 O OE1 . GLN E 31 ? 0.2186 0.2643 0.2935 0.0707 0.0054 0.0660 31 GLN E OE1 6981 N NE2 . GLN E 31 ? 0.2393 0.3286 0.2983 0.0739 0.0156 0.0664 31 GLN E NE2 6982 N N . ASN E 32 ? 0.1022 0.1149 0.0766 0.0173 0.0015 0.0301 32 ASN E N 6983 C CA . ASN E 32 ? 0.1045 0.1038 0.0612 0.0403 0.0129 0.0336 32 ASN E CA 6984 C C . ASN E 32 ? 0.0761 0.0720 0.0379 0.0285 0.0066 0.0192 32 ASN E C 6985 O O . ASN E 32 ? 0.0842 0.1225 0.0546 0.0338 0.0004 0.0264 32 ASN E O 6986 C CB . ASN E 32 ? 0.1431 0.1110 0.0894 0.0496 0.0232 0.0261 32 ASN E CB 6987 C CG . ASN E 32 ? 0.2154 0.1379 0.1268 0.0507 0.0385 0.0294 32 ASN E CG 6988 O OD1 . ASN E 32 ? 0.2354 0.1547 0.1096 0.0158 0.0487 0.0081 32 ASN E OD1 6989 N ND2 . ASN E 32 ? 0.2543 0.1697 0.1634 0.0419 0.0467 0.0093 32 ASN E ND2 6990 N N . PHE E 33 ? 0.0770 0.0662 0.0382 0.0103 0.0019 0.0246 33 PHE E N 6991 C CA . PHE E 33 ? 0.0671 0.0475 0.0396 0.0054 0.0108 0.0218 33 PHE E CA 6992 C C . PHE E 33 ? 0.0529 0.0462 0.0299 0.0010 0.0120 0.0163 33 PHE E C 6993 O O . PHE E 33 ? 0.0611 0.0682 0.0306 0.0072 0.0168 0.0123 33 PHE E O 6994 C CB . PHE E 33 ? 0.0857 0.0781 0.0565 0.0013 0.0091 0.0078 33 PHE E CB 6995 C CG . PHE E 33 ? 0.0825 0.0682 0.0571 0.0114 0.0081 -0.0083 33 PHE E CG 6996 C CD1 . PHE E 33 ? 0.0849 0.0589 0.0695 0.0123 0.0139 -0.0174 33 PHE E CD1 6997 C CD2 . PHE E 33 ? 0.0954 0.0928 0.0782 0.0029 0.0039 -0.0173 33 PHE E CD2 6998 C CE1 . PHE E 33 ? 0.0882 0.0855 0.0909 0.0113 -0.0012 -0.0226 33 PHE E CE1 6999 C CE2 . PHE E 33 ? 0.1146 0.1007 0.0782 -0.0014 -0.0004 -0.0123 33 PHE E CE2 7000 C CZ . PHE E 33 ? 0.1123 0.0858 0.0877 0.0093 -0.0078 -0.0209 33 PHE E CZ 7001 N N . THR E 34 ? 0.0521 0.0557 0.0351 0.0031 0.0181 0.0158 34 THR E N 7002 C CA . THR E 34 ? 0.0530 0.0624 0.0337 -0.0096 0.0183 0.0124 34 THR E CA 7003 C C . THR E 34 ? 0.0554 0.0568 0.0246 0.0137 0.0065 0.0131 34 THR E C 7004 O O . THR E 34 ? 0.0745 0.0650 0.0339 0.0222 0.0008 0.0166 34 THR E O 7005 C CB . THR E 34 ? 0.0726 0.0748 0.0377 -0.0088 0.0255 -0.0007 34 THR E CB 7006 O OG1 . THR E 34 ? 0.0873 0.0760 0.0549 0.0084 0.0253 0.0025 34 THR E OG1 7007 C CG2 . THR E 34 ? 0.0802 0.0891 0.0434 -0.0024 0.0296 -0.0078 34 THR E CG2 7008 N N . LEU E 35 ? 0.0577 0.0506 0.0205 0.0159 0.0055 0.0054 35 LEU E N 7009 C CA . LEU E 35 ? 0.0637 0.0513 0.0227 0.0086 0.0122 0.0037 35 LEU E CA 7010 C C . LEU E 35 ? 0.0601 0.0625 0.0228 -0.0018 0.0097 0.0108 35 LEU E C 7011 O O . LEU E 35 ? 0.0655 0.0894 0.0280 0.0037 0.0050 0.0137 35 LEU E O 7012 C CB . LEU E 35 ? 0.1077 0.0536 0.0470 0.0009 0.0073 0.0069 35 LEU E CB 7013 C CG . LEU E 35 ? 0.1389 0.0655 0.0802 0.0146 -0.0235 -0.0050 35 LEU E CG 7014 C CD1 . LEU E 35 ? 0.1538 0.0593 0.0768 0.0376 -0.0286 -0.0048 35 LEU E CD1 7015 C CD2 . LEU E 35 ? 0.1654 0.0736 0.0940 0.0232 -0.0325 -0.0106 35 LEU E CD2 7016 N N A CYS E 36 ? 0.0574 0.0749 0.0293 0.0193 0.0032 0.0156 36 CYS E N 7017 N N B CYS E 36 ? 0.0695 0.0787 0.0330 0.0148 0.0091 0.0194 36 CYS E N 7018 C CA A CYS E 36 ? 0.0711 0.0772 0.0357 0.0261 0.0133 0.0185 36 CYS E CA 7019 C CA B CYS E 36 ? 0.0776 0.0768 0.0483 0.0223 0.0081 0.0205 36 CYS E CA 7020 C C A CYS E 36 ? 0.0559 0.0536 0.0280 0.0139 0.0002 0.0159 36 CYS E C 7021 C C B CYS E 36 ? 0.0640 0.0672 0.0344 0.0137 0.0005 0.0217 36 CYS E C 7022 O O A CYS E 36 ? 0.0576 0.0755 0.0294 0.0245 -0.0036 0.0091 36 CYS E O 7023 O O B CYS E 36 ? 0.0567 0.0742 0.0401 0.0132 0.0045 0.0271 36 CYS E O 7024 C CB A CYS E 36 ? 0.1059 0.1220 0.0396 0.0002 0.0236 0.0025 36 CYS E CB 7025 C CB B CYS E 36 ? 0.0934 0.0666 0.0726 0.0245 0.0101 0.0120 36 CYS E CB 7026 S SG A CYS E 36 ? 0.1545 0.1379 0.0701 0.0084 0.0095 -0.0118 36 CYS E SG 7027 S SG B CYS E 36 ? 0.1137 0.0423 0.1044 0.0272 0.0072 0.0054 36 CYS E SG 7028 N N . PHE E 37 ? 0.0584 0.0543 0.0234 0.0064 -0.0096 0.0105 37 PHE E N 7029 C CA . PHE E 37 ? 0.0637 0.0576 0.0246 0.0123 0.0112 0.0087 37 PHE E CA 7030 C C . PHE E 37 ? 0.0597 0.0548 0.0259 0.0153 0.0128 0.0099 37 PHE E C 7031 O O . PHE E 37 ? 0.0651 0.0710 0.0253 0.0117 0.0109 0.0075 37 PHE E O 7032 C CB . PHE E 37 ? 0.0779 0.0506 0.0351 0.0025 -0.0007 -0.0023 37 PHE E CB 7033 C CG . PHE E 37 ? 0.0873 0.0329 0.0533 0.0020 0.0085 -0.0130 37 PHE E CG 7034 C CD1 . PHE E 37 ? 0.1178 0.0447 0.0867 0.0017 0.0358 0.0123 37 PHE E CD1 7035 C CD2 . PHE E 37 ? 0.1087 0.0570 0.0726 -0.0043 0.0258 -0.0074 37 PHE E CD2 7036 C CE1 . PHE E 37 ? 0.1406 0.0573 0.1014 0.0000 0.0587 0.0030 37 PHE E CE1 7037 C CE2 . PHE E 37 ? 0.1329 0.0843 0.0847 0.0076 0.0255 -0.0005 37 PHE E CE2 7038 C CZ . PHE E 37 ? 0.1389 0.0592 0.0944 -0.0044 0.0395 -0.0009 37 PHE E CZ 7039 N N . ARG E 38 ? 0.0614 0.0629 0.0309 0.0279 0.0133 0.0051 38 ARG E N 7040 C CA . ARG E 38 ? 0.0624 0.0775 0.0486 0.0239 0.0250 0.0056 38 ARG E CA 7041 C C . ARG E 38 ? 0.0607 0.0646 0.0260 0.0143 0.0105 -0.0020 38 ARG E C 7042 O O . ARG E 38 ? 0.0966 0.0772 0.0327 0.0314 0.0019 -0.0053 38 ARG E O 7043 C CB . ARG E 38 ? 0.1049 0.0918 0.1096 -0.0074 0.0268 0.0030 38 ARG E CB 7044 C CG . ARG E 38 ? 0.1332 0.1264 0.1332 -0.0392 0.0372 0.0225 38 ARG E CG 7045 C CD . ARG E 38 ? 0.1644 0.1377 0.1539 -0.0700 0.0353 0.0312 38 ARG E CD 7046 N NE . ARG E 38 ? 0.1707 0.1496 0.1601 -0.0631 0.0323 0.0326 38 ARG E NE 7047 C CZ . ARG E 38 ? 0.2003 0.1765 0.1478 -0.0458 0.0390 0.0395 38 ARG E CZ 7048 N NH1 . ARG E 38 ? 0.2094 0.1651 0.1451 -0.0571 0.0341 0.0523 38 ARG E NH1 7049 N NH2 . ARG E 38 ? 0.2366 0.2159 0.1531 0.0021 0.0407 0.0413 38 ARG E NH2 7050 N N . ALA E 39 ? 0.0610 0.0639 0.0224 0.0096 0.0089 -0.0045 39 ALA E N 7051 C CA . ALA E 39 ? 0.0568 0.0591 0.0310 0.0169 0.0118 -0.0094 39 ALA E CA 7052 C C . ALA E 39 ? 0.0478 0.0546 0.0197 0.0124 0.0036 -0.0061 39 ALA E C 7053 O O . ALA E 39 ? 0.0657 0.0937 0.0315 0.0118 0.0041 -0.0157 39 ALA E O 7054 C CB . ALA E 39 ? 0.0702 0.0703 0.0437 0.0001 0.0048 -0.0081 39 ALA E CB 7055 N N . TYR E 40 ? 0.0516 0.0485 0.0234 0.0044 0.0129 -0.0085 40 TYR E N 7056 C CA . TYR E 40 ? 0.0516 0.0583 0.0236 0.0029 0.0140 -0.0072 40 TYR E CA 7057 C C . TYR E 40 ? 0.0614 0.0497 0.0257 0.0060 0.0169 0.0018 40 TYR E C 7058 O O . TYR E 40 ? 0.0859 0.0539 0.0272 0.0110 0.0117 -0.0025 40 TYR E O 7059 C CB . TYR E 40 ? 0.0567 0.0325 0.0368 0.0185 0.0155 0.0013 40 TYR E CB 7060 C CG . TYR E 40 ? 0.0542 0.0519 0.0262 0.0116 0.0158 0.0010 40 TYR E CG 7061 C CD1 . TYR E 40 ? 0.0568 0.0607 0.0260 0.0021 0.0178 -0.0014 40 TYR E CD1 7062 C CD2 . TYR E 40 ? 0.0647 0.0544 0.0446 -0.0149 0.0282 -0.0061 40 TYR E CD2 7063 C CE1 . TYR E 40 ? 0.0667 0.0725 0.0284 -0.0027 0.0190 -0.0005 40 TYR E CE1 7064 C CE2 . TYR E 40 ? 0.0670 0.0456 0.0467 -0.0084 0.0293 0.0027 40 TYR E CE2 7065 C CZ . TYR E 40 ? 0.0588 0.0754 0.0358 0.0027 0.0184 -0.0150 40 TYR E CZ 7066 O OH . TYR E 40 ? 0.0722 0.0936 0.0457 -0.0059 0.0262 -0.0162 40 TYR E OH 7067 N N . SER E 41 ? 0.0709 0.0527 0.0520 0.0109 0.0162 0.0108 41 SER E N 7068 C CA . SER E 41 ? 0.0794 0.0513 0.0528 -0.0028 0.0300 -0.0008 41 SER E CA 7069 C C . SER E 41 ? 0.0971 0.0666 0.0496 0.0159 0.0144 0.0092 41 SER E C 7070 O O . SER E 41 ? 0.1434 0.1116 0.0755 0.0452 -0.0118 -0.0020 41 SER E O 7071 C CB . SER E 41 ? 0.0821 0.0461 0.0500 0.0056 0.0247 0.0170 41 SER E CB 7072 O OG . SER E 41 ? 0.0756 0.0524 0.0611 0.0049 0.0194 0.0094 41 SER E OG 7073 N N . ASP E 42 ? 0.0694 0.0553 0.0489 0.0045 0.0077 0.0253 42 ASP E N 7074 C CA . ASP E 42 ? 0.0758 0.0694 0.0613 0.0179 0.0130 0.0220 42 ASP E CA 7075 C C . ASP E 42 ? 0.0812 0.0688 0.0869 0.0080 0.0159 0.0077 42 ASP E C 7076 O O . ASP E 42 ? 0.0873 0.0789 0.0995 0.0080 0.0096 0.0180 42 ASP E O 7077 C CB . ASP E 42 ? 0.0899 0.0916 0.0745 0.0307 0.0269 0.0200 42 ASP E CB 7078 C CG . ASP E 42 ? 0.1030 0.1449 0.0878 0.0070 0.0197 0.0115 42 ASP E CG 7079 O OD1 . ASP E 42 ? 0.1219 0.1970 0.0922 -0.0157 0.0310 0.0056 42 ASP E OD1 7080 O OD2 . ASP E 42 ? 0.0922 0.1544 0.0819 0.0120 0.0054 0.0026 42 ASP E OD2 7081 N N . LEU E 43 ? 0.0782 0.0458 0.0933 -0.0041 0.0133 0.0160 43 LEU E N 7082 C CA . LEU E 43 ? 0.0939 0.0605 0.0893 -0.0116 0.0011 0.0347 43 LEU E CA 7083 C C . LEU E 43 ? 0.1186 0.0794 0.0974 -0.0141 -0.0168 0.0348 43 LEU E C 7084 O O . LEU E 43 ? 0.1372 0.1216 0.0975 -0.0292 -0.0197 0.0313 43 LEU E O 7085 C CB . LEU E 43 ? 0.0821 0.0684 0.0801 -0.0182 0.0128 0.0206 43 LEU E CB 7086 C CG . LEU E 43 ? 0.1007 0.0705 0.0731 -0.0186 0.0266 0.0259 43 LEU E CG 7087 C CD1 . LEU E 43 ? 0.1029 0.0674 0.0690 -0.0075 0.0264 0.0256 43 LEU E CD1 7088 C CD2 . LEU E 43 ? 0.1138 0.0703 0.0863 -0.0097 0.0212 0.0116 43 LEU E CD2 7089 N N . SER E 44 ? 0.1507 0.0984 0.1163 -0.0062 -0.0167 0.0393 44 SER E N 7090 C CA . SER E 44 ? 0.1630 0.1228 0.1307 -0.0049 -0.0290 0.0636 44 SER E CA 7091 C C . SER E 44 ? 0.1553 0.1043 0.1115 0.0051 -0.0116 0.0534 44 SER E C 7092 O O . SER E 44 ? 0.1735 0.1153 0.1305 0.0022 -0.0026 0.0508 44 SER E O 7093 C CB . SER E 44 ? 0.1852 0.1683 0.1813 -0.0167 -0.0358 0.0996 44 SER E CB 7094 O OG . SER E 44 ? 0.2293 0.2072 0.2309 -0.0117 -0.0285 0.0972 44 SER E OG 7095 N N . ARG E 45 ? 0.1443 0.0879 0.0937 0.0284 0.0027 0.0447 45 ARG E N 7096 C CA . ARG E 45 ? 0.1377 0.0670 0.0841 0.0233 0.0133 0.0336 45 ARG E CA 7097 C C . ARG E 45 ? 0.1326 0.0833 0.0841 0.0087 0.0251 0.0283 45 ARG E C 7098 O O . ARG E 45 ? 0.1308 0.0697 0.0853 -0.0070 0.0221 0.0187 45 ARG E O 7099 C CB . ARG E 45 ? 0.1324 0.0728 0.0844 0.0223 0.0302 0.0131 45 ARG E CB 7100 C CG . ARG E 45 ? 0.1163 0.0860 0.0943 -0.0032 0.0217 0.0059 45 ARG E CG 7101 C CD . ARG E 45 ? 0.1302 0.0804 0.1057 -0.0055 0.0124 0.0024 45 ARG E CD 7102 N NE . ARG E 45 ? 0.1242 0.0708 0.1125 0.0022 0.0220 0.0088 45 ARG E NE 7103 C CZ . ARG E 45 ? 0.1026 0.0525 0.0899 -0.0072 0.0066 0.0034 45 ARG E CZ 7104 N NH1 . ARG E 45 ? 0.0962 0.0613 0.0905 -0.0127 0.0088 -0.0127 45 ARG E NH1 7105 N NH2 . ARG E 45 ? 0.1105 0.0647 0.0787 -0.0063 -0.0054 -0.0114 45 ARG E NH2 7106 N N . ALA E 46 ? 0.1378 0.0917 0.0979 0.0099 0.0310 0.0151 46 ALA E N 7107 C CA . ALA E 46 ? 0.1444 0.0951 0.0882 0.0083 0.0337 0.0302 46 ALA E CA 7108 C C . ALA E 46 ? 0.1384 0.0664 0.0729 0.0091 0.0295 0.0110 46 ALA E C 7109 O O . ALA E 46 ? 0.1511 0.0676 0.1064 0.0163 0.0370 -0.0110 46 ALA E O 7110 C CB . ALA E 46 ? 0.1463 0.1246 0.1001 0.0021 0.0357 0.0387 46 ALA E CB 7111 N N . TYR E 47 ? 0.1143 0.0656 0.0505 0.0115 0.0149 0.0065 47 TYR E N 7112 C CA . TYR E 47 ? 0.0998 0.0525 0.0367 -0.0011 0.0209 -0.0084 47 TYR E CA 7113 C C . TYR E 47 ? 0.1143 0.0636 0.0526 -0.0073 0.0169 -0.0081 47 TYR E C 7114 O O . TYR E 47 ? 0.1141 0.0821 0.0558 -0.0157 0.0023 -0.0215 47 TYR E O 7115 C CB . TYR E 47 ? 0.1003 0.0744 0.0554 0.0012 0.0230 -0.0075 47 TYR E CB 7116 C CG . TYR E 47 ? 0.1051 0.0588 0.0558 0.0065 0.0394 0.0028 47 TYR E CG 7117 C CD1 . TYR E 47 ? 0.1216 0.0773 0.0573 -0.0024 0.0361 0.0102 47 TYR E CD1 7118 C CD2 . TYR E 47 ? 0.1222 0.0703 0.0584 0.0190 0.0296 0.0032 47 TYR E CD2 7119 C CE1 . TYR E 47 ? 0.1288 0.0770 0.0626 0.0039 0.0286 0.0054 47 TYR E CE1 7120 C CE2 . TYR E 47 ? 0.1232 0.0866 0.0502 0.0174 0.0141 0.0065 47 TYR E CE2 7121 C CZ . TYR E 47 ? 0.1277 0.0871 0.0606 -0.0028 0.0228 -0.0133 47 TYR E CZ 7122 O OH . TYR E 47 ? 0.1438 0.1226 0.0855 -0.0092 0.0139 -0.0035 47 TYR E OH 7123 N N . SER E 48 ? 0.1034 0.0476 0.0471 -0.0018 0.0197 -0.0152 48 SER E N 7124 C CA . SER E 48 ? 0.0996 0.0475 0.0538 -0.0176 0.0291 -0.0097 48 SER E CA 7125 C C . SER E 48 ? 0.0933 0.0483 0.0474 -0.0236 0.0313 -0.0096 48 SER E C 7126 O O . SER E 48 ? 0.1326 0.0577 0.0620 -0.0169 0.0429 -0.0120 48 SER E O 7127 C CB . SER E 48 ? 0.1085 0.0879 0.0538 -0.0277 -0.0036 -0.0039 48 SER E CB 7128 O OG . SER E 48 ? 0.1050 0.1463 0.0611 -0.0463 0.0108 -0.0205 48 SER E OG 7129 N N . LEU E 49 ? 0.0837 0.0482 0.0411 -0.0016 0.0258 -0.0103 49 LEU E N 7130 C CA . LEU E 49 ? 0.0805 0.0427 0.0520 -0.0015 0.0233 -0.0132 49 LEU E CA 7131 C C . LEU E 49 ? 0.0853 0.0521 0.0508 -0.0048 0.0272 0.0069 49 LEU E C 7132 O O . LEU E 49 ? 0.0968 0.0782 0.0629 -0.0071 0.0333 -0.0068 49 LEU E O 7133 C CB . LEU E 49 ? 0.0861 0.0842 0.0794 -0.0061 0.0190 -0.0170 49 LEU E CB 7134 C CG . LEU E 49 ? 0.1085 0.1075 0.1153 0.0066 0.0100 -0.0312 49 LEU E CG 7135 C CD1 . LEU E 49 ? 0.1412 0.1244 0.1344 0.0058 -0.0098 -0.0335 49 LEU E CD1 7136 C CD2 . LEU E 49 ? 0.0914 0.1336 0.1394 0.0073 0.0029 -0.0388 49 LEU E CD2 7137 N N . PHE E 50 ? 0.0726 0.0427 0.0449 -0.0095 0.0165 0.0105 50 PHE E N 7138 C CA . PHE E 50 ? 0.0712 0.0399 0.0289 -0.0110 0.0099 0.0085 50 PHE E CA 7139 C C . PHE E 50 ? 0.0620 0.0398 0.0253 -0.0153 0.0141 -0.0075 50 PHE E C 7140 O O . PHE E 50 ? 0.0732 0.0580 0.0263 -0.0176 0.0119 -0.0005 50 PHE E O 7141 C CB . PHE E 50 ? 0.0875 0.0711 0.0410 -0.0121 0.0146 -0.0134 50 PHE E CB 7142 C CG . PHE E 50 ? 0.0986 0.0572 0.0394 -0.0057 0.0139 -0.0176 50 PHE E CG 7143 C CD1 . PHE E 50 ? 0.0936 0.0746 0.0373 -0.0039 -0.0001 -0.0244 50 PHE E CD1 7144 C CD2 . PHE E 50 ? 0.1061 0.0616 0.0582 -0.0072 0.0023 -0.0252 50 PHE E CD2 7145 C CE1 . PHE E 50 ? 0.0962 0.0975 0.0412 -0.0055 -0.0129 -0.0258 50 PHE E CE1 7146 C CE2 . PHE E 50 ? 0.1124 0.0795 0.0455 -0.0007 -0.0077 -0.0035 50 PHE E CE2 7147 C CZ . PHE E 50 ? 0.1026 0.0988 0.0453 0.0028 -0.0113 -0.0207 50 PHE E CZ 7148 N N . SER E 51 ? 0.0630 0.0422 0.0364 -0.0144 0.0131 -0.0177 51 SER E N 7149 C CA . SER E 51 ? 0.0617 0.0541 0.0304 -0.0184 0.0115 -0.0159 51 SER E CA 7150 C C . SER E 51 ? 0.0687 0.0673 0.0312 -0.0306 0.0133 -0.0090 51 SER E C 7151 O O . SER E 51 ? 0.0701 0.1025 0.0429 -0.0060 0.0234 0.0103 51 SER E O 7152 C CB . SER E 51 ? 0.0721 0.0731 0.0504 -0.0200 0.0123 -0.0278 51 SER E CB 7153 O OG . SER E 51 ? 0.0777 0.0967 0.0497 -0.0264 0.0170 -0.0309 51 SER E OG 7154 N N . TYR E 52 ? 0.0655 0.0784 0.0299 -0.0184 0.0114 0.0016 52 TYR E N 7155 C CA . TYR E 52 ? 0.0788 0.0935 0.0304 -0.0133 0.0112 0.0060 52 TYR E CA 7156 C C . TYR E 52 ? 0.0685 0.0865 0.0263 -0.0197 0.0011 0.0017 52 TYR E C 7157 O O . TYR E 52 ? 0.0794 0.1077 0.0336 -0.0270 0.0058 0.0019 52 TYR E O 7158 C CB . TYR E 52 ? 0.0866 0.1126 0.0320 0.0047 0.0081 0.0087 52 TYR E CB 7159 C CG . TYR E 52 ? 0.0756 0.1208 0.0318 -0.0032 0.0019 -0.0020 52 TYR E CG 7160 C CD1 . TYR E 52 ? 0.0738 0.1382 0.0425 0.0088 0.0065 0.0087 52 TYR E CD1 7161 C CD2 . TYR E 52 ? 0.0762 0.1353 0.0391 -0.0012 0.0055 -0.0022 52 TYR E CD2 7162 C CE1 . TYR E 52 ? 0.0857 0.1373 0.0548 0.0183 0.0088 0.0067 52 TYR E CE1 7163 C CE2 . TYR E 52 ? 0.0785 0.1190 0.0599 0.0246 0.0076 0.0000 52 TYR E CE2 7164 C CZ . TYR E 52 ? 0.0865 0.1359 0.0591 0.0416 0.0137 0.0094 52 TYR E CZ 7165 O OH . TYR E 52 ? 0.1167 0.1644 0.0827 0.0600 0.0079 0.0040 52 TYR E OH 7166 N N . ASN E 53 ? 0.0718 0.1077 0.0322 -0.0181 0.0083 -0.0059 53 ASN E N 7167 C CA . ASN E 53 ? 0.0742 0.1351 0.0530 -0.0316 0.0174 -0.0114 53 ASN E CA 7168 C C . ASN E 53 ? 0.0775 0.1377 0.0647 -0.0344 0.0093 -0.0106 53 ASN E C 7169 O O . ASN E 53 ? 0.0764 0.1617 0.0617 -0.0231 0.0079 -0.0039 53 ASN E O 7170 C CB . ASN E 53 ? 0.0874 0.1330 0.0716 -0.0371 0.0236 -0.0074 53 ASN E CB 7171 C CG . ASN E 53 ? 0.0916 0.1157 0.0771 -0.0346 0.0228 -0.0145 53 ASN E CG 7172 O OD1 . ASN E 53 ? 0.1022 0.1164 0.0794 -0.0369 0.0086 -0.0207 53 ASN E OD1 7173 N ND2 . ASN E 53 ? 0.1070 0.1322 0.0879 -0.0151 0.0239 -0.0196 53 ASN E ND2 7174 N N . THR E 54 ? 0.0730 0.1535 0.0745 -0.0284 0.0045 -0.0017 54 THR E N 7175 C CA . THR E 54 ? 0.0956 0.1641 0.0875 -0.0316 -0.0030 0.0005 54 THR E CA 7176 C C . THR E 54 ? 0.1086 0.1821 0.1018 -0.0507 -0.0020 -0.0096 54 THR E C 7177 O O . THR E 54 ? 0.1222 0.1682 0.1110 -0.0685 0.0008 -0.0140 54 THR E O 7178 C CB . THR E 54 ? 0.1061 0.1618 0.1066 -0.0113 0.0099 0.0081 54 THR E CB 7179 O OG1 . THR E 54 ? 0.1223 0.1785 0.1228 0.0030 0.0309 0.0075 54 THR E OG1 7180 C CG2 . THR E 54 ? 0.1093 0.1561 0.1115 -0.0078 0.0174 0.0098 54 THR E CG2 7181 N N . GLN E 55 ? 0.1168 0.2246 0.1066 -0.0659 -0.0080 -0.0132 55 GLN E N 7182 C CA . GLN E 55 ? 0.1604 0.2737 0.1457 -0.0748 -0.0107 -0.0205 55 GLN E CA 7183 C C . GLN E 55 ? 0.1615 0.2761 0.1517 -0.0916 -0.0051 -0.0280 55 GLN E C 7184 O O . GLN E 55 ? 0.1627 0.2889 0.1676 -0.0799 0.0000 -0.0176 55 GLN E O 7185 C CB . GLN E 55 ? 0.2012 0.3229 0.1823 -0.0953 -0.0351 -0.0434 55 GLN E CB 7186 C CG . GLN E 55 ? 0.2496 0.3740 0.2197 -0.0966 -0.0419 -0.0636 55 GLN E CG 7187 C CD . GLN E 55 ? 0.2929 0.4228 0.2485 -0.0865 -0.0522 -0.0870 55 GLN E CD 7188 O OE1 . GLN E 55 ? 0.3187 0.4699 0.2678 -0.0571 -0.0589 -0.0887 55 GLN E OE1 7189 N NE2 . GLN E 55 ? 0.3034 0.4462 0.2544 -0.0937 -0.0393 -0.0974 55 GLN E NE2 7190 N N . GLY E 56 ? 0.1661 0.2567 0.1444 -0.1083 0.0003 -0.0402 56 GLY E N 7191 C CA . GLY E 56 ? 0.1662 0.2453 0.1472 -0.0946 0.0113 -0.0379 56 GLY E CA 7192 C C . GLY E 56 ? 0.1385 0.2210 0.1454 -0.0960 0.0182 -0.0347 56 GLY E C 7193 O O . GLY E 56 ? 0.1714 0.2367 0.1709 -0.1049 0.0254 -0.0280 56 GLY E O 7194 N N . ARG E 57 ? 0.1063 0.2190 0.1301 -0.0725 0.0224 -0.0529 57 ARG E N 7195 C CA . ARG E 57 ? 0.0992 0.2030 0.1169 -0.0530 0.0305 -0.0495 57 ARG E CA 7196 C C . ARG E 57 ? 0.0965 0.1637 0.1086 -0.0398 0.0417 -0.0337 57 ARG E C 7197 O O . ARG E 57 ? 0.1158 0.1846 0.1253 -0.0336 0.0362 -0.0001 57 ARG E O 7198 C CB . ARG E 57 ? 0.1057 0.2013 0.1125 -0.0335 0.0222 -0.0504 57 ARG E CB 7199 C CG . ARG E 57 ? 0.1131 0.1897 0.1157 -0.0145 0.0085 -0.0448 57 ARG E CG 7200 C CD . ARG E 57 ? 0.1235 0.1850 0.1165 -0.0135 0.0248 -0.0548 57 ARG E CD 7201 N NE . ARG E 57 ? 0.1323 0.1951 0.1212 -0.0398 0.0472 -0.0661 57 ARG E NE 7202 C CZ . ARG E 57 ? 0.1474 0.1805 0.1316 -0.0739 0.0619 -0.0666 57 ARG E CZ 7203 N NH1 . ARG E 57 ? 0.1658 0.1866 0.1491 -0.0786 0.0747 -0.0756 57 ARG E NH1 7204 N NH2 . ARG E 57 ? 0.1571 0.1895 0.1313 -0.0640 0.0705 -0.0398 57 ARG E NH2 7205 N N . ASP E 58 ? 0.1039 0.1336 0.0924 -0.0387 0.0438 -0.0379 58 ASP E N 7206 C CA . ASP E 58 ? 0.1066 0.1118 0.0927 -0.0360 0.0405 -0.0273 58 ASP E CA 7207 C C . ASP E 58 ? 0.0883 0.0904 0.0668 -0.0361 0.0351 -0.0146 58 ASP E C 7208 O O . ASP E 58 ? 0.1018 0.1264 0.0757 -0.0408 0.0384 -0.0059 58 ASP E O 7209 C CB . ASP E 58 ? 0.1219 0.1113 0.1182 -0.0459 0.0426 -0.0247 58 ASP E CB 7210 C CG . ASP E 58 ? 0.1193 0.1235 0.1363 -0.0356 0.0263 -0.0298 58 ASP E CG 7211 O OD1 . ASP E 58 ? 0.1131 0.1154 0.1271 -0.0258 0.0337 -0.0362 58 ASP E OD1 7212 O OD2 . ASP E 58 ? 0.1184 0.1629 0.1786 -0.0244 0.0273 -0.0238 58 ASP E OD2 7213 N N . ASN E 59 ? 0.0765 0.0877 0.0592 -0.0422 0.0271 -0.0232 59 ASN E N 7214 C CA . ASN E 59 ? 0.0887 0.0850 0.0579 -0.0242 0.0263 -0.0179 59 ASN E CA 7215 C C . ASN E 59 ? 0.0790 0.0856 0.0565 -0.0249 0.0187 -0.0171 59 ASN E C 7216 O O . ASN E 59 ? 0.0738 0.0866 0.0767 -0.0255 0.0167 -0.0238 59 ASN E O 7217 C CB . ASN E 59 ? 0.1054 0.0874 0.0667 -0.0017 0.0194 -0.0038 59 ASN E CB 7218 C CG . ASN E 59 ? 0.1107 0.0691 0.0561 -0.0095 0.0261 0.0066 59 ASN E CG 7219 O OD1 . ASN E 59 ? 0.1119 0.0706 0.0511 -0.0149 0.0330 -0.0154 59 ASN E OD1 7220 N ND2 . ASN E 59 ? 0.1406 0.0949 0.0734 0.0047 0.0165 0.0141 59 ASN E ND2 7221 N N . GLU E 60 ? 0.0795 0.1030 0.0364 -0.0219 0.0070 -0.0185 60 GLU E N 7222 C CA . GLU E 60 ? 0.0750 0.0948 0.0425 -0.0076 0.0106 -0.0043 60 GLU E CA 7223 C C . GLU E 60 ? 0.0771 0.0964 0.0304 -0.0192 0.0075 -0.0078 60 GLU E C 7224 O O . GLU E 60 ? 0.0961 0.0977 0.0325 -0.0179 0.0043 -0.0016 60 GLU E O 7225 C CB . GLU E 60 ? 0.0818 0.1004 0.0576 -0.0075 0.0221 0.0048 60 GLU E CB 7226 C CG . GLU E 60 ? 0.0948 0.1116 0.0754 0.0020 0.0262 0.0126 60 GLU E CG 7227 C CD . GLU E 60 ? 0.0883 0.1289 0.0730 0.0068 0.0233 0.0102 60 GLU E CD 7228 O OE1 . GLU E 60 ? 0.0818 0.1627 0.0700 -0.0310 0.0223 0.0069 60 GLU E OE1 7229 O OE2 . GLU E 60 ? 0.1114 0.1376 0.0853 0.0113 0.0175 0.0008 60 GLU E OE2 7230 N N . LEU E 61 ? 0.0684 0.0819 0.0263 -0.0128 0.0011 -0.0098 61 LEU E N 7231 C CA . LEU E 61 ? 0.0622 0.0620 0.0211 0.0001 0.0043 0.0113 61 LEU E CA 7232 C C . LEU E 61 ? 0.0666 0.0759 0.0219 -0.0038 -0.0002 0.0073 61 LEU E C 7233 O O . LEU E 61 ? 0.0831 0.1385 0.0419 -0.0072 0.0083 0.0000 61 LEU E O 7234 C CB . LEU E 61 ? 0.1036 0.0804 0.0310 0.0047 0.0125 0.0071 61 LEU E CB 7235 C CG . LEU E 61 ? 0.1298 0.1129 0.0783 -0.0050 0.0205 0.0100 61 LEU E CG 7236 C CD1 . LEU E 61 ? 0.1442 0.0959 0.0843 -0.0146 0.0299 0.0014 61 LEU E CD1 7237 C CD2 . LEU E 61 ? 0.1371 0.1266 0.1073 0.0255 0.0465 0.0090 61 LEU E CD2 7238 N N . LEU E 62 ? 0.0561 0.0872 0.0244 0.0054 0.0042 0.0048 62 LEU E N 7239 C CA . LEU E 62 ? 0.0612 0.0579 0.0228 -0.0077 0.0113 0.0027 62 LEU E CA 7240 C C . LEU E 62 ? 0.0537 0.0572 0.0177 -0.0038 0.0035 0.0059 62 LEU E C 7241 O O . LEU E 62 ? 0.0669 0.0792 0.0255 -0.0174 0.0065 0.0001 62 LEU E O 7242 C CB . LEU E 62 ? 0.0780 0.0680 0.0315 -0.0018 0.0062 0.0087 62 LEU E CB 7243 C CG . LEU E 62 ? 0.0851 0.0703 0.0415 -0.0053 0.0194 -0.0049 62 LEU E CG 7244 C CD1 . LEU E 62 ? 0.0846 0.0810 0.0511 -0.0039 0.0288 -0.0218 62 LEU E CD1 7245 C CD2 . LEU E 62 ? 0.0982 0.0644 0.0540 -0.0079 0.0236 -0.0087 62 LEU E CD2 7246 N N . VAL E 63 ? 0.0643 0.0680 0.0204 -0.0085 0.0028 0.0007 63 VAL E N 7247 C CA . VAL E 63 ? 0.0786 0.0761 0.0307 -0.0088 0.0135 0.0004 63 VAL E CA 7248 C C . VAL E 63 ? 0.0687 0.0480 0.0249 -0.0069 0.0151 -0.0021 63 VAL E C 7249 O O . VAL E 63 ? 0.0725 0.0656 0.0259 0.0053 0.0139 -0.0066 63 VAL E O 7250 C CB . VAL E 63 ? 0.1050 0.0820 0.0374 -0.0172 0.0153 -0.0149 63 VAL E CB 7251 C CG1 . VAL E 63 ? 0.1101 0.1023 0.0585 -0.0397 0.0261 -0.0076 63 VAL E CG1 7252 C CG2 . VAL E 63 ? 0.1480 0.0842 0.0677 -0.0070 0.0175 -0.0063 63 VAL E CG2 7253 N N . TYR E 64 ? 0.0780 0.0764 0.0369 0.0047 0.0170 -0.0115 64 TYR E N 7254 C CA . TYR E 64 ? 0.0869 0.0658 0.0423 0.0065 0.0151 -0.0107 64 TYR E CA 7255 C C . TYR E 64 ? 0.0847 0.0871 0.0434 0.0118 0.0216 -0.0195 64 TYR E C 7256 O O . TYR E 64 ? 0.1002 0.1241 0.0471 0.0242 0.0143 -0.0189 64 TYR E O 7257 C CB . TYR E 64 ? 0.1015 0.0792 0.0539 -0.0028 0.0208 -0.0092 64 TYR E CB 7258 C CG . TYR E 64 ? 0.1128 0.0762 0.0561 -0.0226 0.0282 -0.0085 64 TYR E CG 7259 C CD1 . TYR E 64 ? 0.1220 0.0872 0.0610 -0.0308 0.0345 -0.0225 64 TYR E CD1 7260 C CD2 . TYR E 64 ? 0.1239 0.0906 0.0643 -0.0003 0.0079 -0.0188 64 TYR E CD2 7261 C CE1 . TYR E 64 ? 0.1309 0.0818 0.0782 -0.0320 0.0318 -0.0238 64 TYR E CE1 7262 C CE2 . TYR E 64 ? 0.1494 0.0930 0.0876 0.0020 0.0127 -0.0125 64 TYR E CE2 7263 C CZ . TYR E 64 ? 0.1525 0.0796 0.1057 -0.0133 0.0373 -0.0259 64 TYR E CZ 7264 O OH . TYR E 64 ? 0.1815 0.0905 0.1492 0.0079 0.0254 -0.0402 64 TYR E OH 7265 N N . LYS E 65 ? 0.0861 0.0871 0.0445 0.0262 0.0197 -0.0096 65 LYS E N 7266 C CA . LYS E 65 ? 0.1009 0.0963 0.0490 0.0333 0.0233 -0.0042 65 LYS E CA 7267 C C . LYS E 65 ? 0.1239 0.1289 0.0648 0.0384 0.0209 0.0261 65 LYS E C 7268 O O . LYS E 65 ? 0.1629 0.1025 0.0628 0.0215 0.0070 0.0103 65 LYS E O 7269 C CB . LYS E 65 ? 0.1378 0.1223 0.0830 0.0181 -0.0043 -0.0129 65 LYS E CB 7270 C CG . LYS E 65 ? 0.1700 0.1414 0.1300 0.0227 -0.0120 -0.0144 65 LYS E CG 7271 C CD . LYS E 65 ? 0.2193 0.1836 0.1585 0.0166 -0.0254 -0.0182 65 LYS E CD 7272 C CE . LYS E 65 ? 0.2234 0.1584 0.1493 0.0145 -0.0543 -0.0311 65 LYS E CE 7273 N NZ . LYS E 65 ? 0.2413 0.1952 0.1498 0.0197 -0.0620 -0.0078 65 LYS E NZ 7274 N N . GLU E 66 ? 0.1415 0.1938 0.1206 0.0444 0.0177 0.0589 66 GLU E N 7275 C CA . GLU E 66 ? 0.1749 0.2477 0.1564 0.0453 0.0264 0.0693 66 GLU E CA 7276 C C . GLU E 66 ? 0.1758 0.1820 0.1357 0.0486 0.0148 0.0440 66 GLU E C 7277 O O . GLU E 66 ? 0.1921 0.1556 0.1677 0.0216 -0.0139 0.0497 66 GLU E O 7278 C CB . GLU E 66 ? 0.2121 0.3243 0.2017 0.0401 0.0547 0.0756 66 GLU E CB 7279 C CG . GLU E 66 ? 0.2579 0.3387 0.2245 0.0567 0.0742 0.0482 66 GLU E CG 7280 C CD . GLU E 66 ? 0.2923 0.3313 0.2535 0.0579 0.0826 0.0209 66 GLU E CD 7281 O OE1 . GLU E 66 ? 0.3163 0.3531 0.2785 0.0738 0.0669 0.0228 66 GLU E OE1 7282 O OE2 . GLU E 66 ? 0.2978 0.2634 0.2496 0.0679 0.1052 0.0118 66 GLU E OE2 7283 N N . ARG E 67 ? 0.1662 0.1404 0.0827 0.0730 0.0203 0.0199 67 ARG E N 7284 C CA . ARG E 67 ? 0.1720 0.1373 0.0722 0.0649 0.0241 0.0072 67 ARG E CA 7285 C C . ARG E 67 ? 0.1462 0.1255 0.0743 0.0649 0.0271 0.0002 67 ARG E C 7286 O O . ARG E 67 ? 0.1386 0.1216 0.0778 0.0662 0.0287 0.0040 67 ARG E O 7287 C CB . ARG E 67 ? 0.2028 0.1521 0.0755 0.0747 0.0220 0.0173 67 ARG E CB 7288 C CG . ARG E 67 ? 0.2461 0.1639 0.0998 0.0685 0.0042 0.0424 67 ARG E CG 7289 C CD . ARG E 67 ? 0.2966 0.2002 0.1527 0.0559 -0.0114 0.0587 67 ARG E CD 7290 N NE . ARG E 67 ? 0.3421 0.2282 0.2148 0.0515 -0.0085 0.0569 67 ARG E NE 7291 C CZ . ARG E 67 ? 0.3741 0.2606 0.2719 0.0371 -0.0024 0.0258 67 ARG E CZ 7292 N NH1 . ARG E 67 ? 0.3873 0.2741 0.2910 0.0250 0.0147 0.0096 67 ARG E NH1 7293 N NH2 . ARG E 67 ? 0.3872 0.2733 0.2915 0.0352 -0.0121 0.0015 67 ARG E NH2 7294 N N . VAL E 68 ? 0.1360 0.1409 0.0982 0.0647 0.0171 0.0047 68 VAL E N 7295 C CA . VAL E 68 ? 0.1272 0.1400 0.1108 0.0550 0.0270 -0.0124 68 VAL E CA 7296 C C . VAL E 68 ? 0.1348 0.1559 0.1032 0.0287 0.0368 -0.0050 68 VAL E C 7297 O O . VAL E 68 ? 0.1601 0.1607 0.1186 0.0275 0.0371 0.0079 68 VAL E O 7298 C CB . VAL E 68 ? 0.1363 0.1956 0.1531 0.0446 0.0299 -0.0201 68 VAL E CB 7299 C CG1 . VAL E 68 ? 0.1570 0.2187 0.1657 0.0211 0.0286 -0.0223 68 VAL E CG1 7300 C CG2 . VAL E 68 ? 0.1119 0.2173 0.1902 0.0375 0.0389 -0.0113 68 VAL E CG2 7301 N N . GLY E 69 ? 0.1124 0.1528 0.0979 0.0067 0.0379 -0.0315 69 GLY E N 7302 C CA . GLY E 69 ? 0.1013 0.1580 0.1124 -0.0293 0.0451 -0.0526 69 GLY E CA 7303 C C . GLY E 69 ? 0.0936 0.1321 0.0915 -0.0039 0.0387 -0.0431 69 GLY E C 7304 O O . GLY E 69 ? 0.1334 0.1605 0.1242 -0.0199 0.0508 -0.0665 69 GLY E O 7305 N N . GLU E 70 ? 0.0740 0.1045 0.0685 0.0257 0.0151 -0.0097 70 GLU E N 7306 C CA . GLU E 70 ? 0.0961 0.1159 0.0654 0.0376 -0.0001 0.0142 70 GLU E CA 7307 C C . GLU E 70 ? 0.0897 0.1027 0.0357 0.0392 0.0034 0.0007 70 GLU E C 7308 O O . GLU E 70 ? 0.1249 0.1513 0.0509 0.0445 0.0083 -0.0089 70 GLU E O 7309 C CB . GLU E 70 ? 0.1428 0.1776 0.1029 0.0137 -0.0105 0.0569 70 GLU E CB 7310 C CG . GLU E 70 ? 0.1979 0.2403 0.1511 0.0231 -0.0295 0.0765 70 GLU E CG 7311 C CD . GLU E 70 ? 0.2606 0.2943 0.1974 0.0266 -0.0248 0.0898 70 GLU E CD 7312 O OE1 . GLU E 70 ? 0.2880 0.2672 0.2136 0.0202 -0.0068 0.0860 70 GLU E OE1 7313 O OE2 . GLU E 70 ? 0.2898 0.3554 0.2265 0.0317 -0.0276 0.0965 70 GLU E OE2 7314 N N . TYR E 71 ? 0.0701 0.0829 0.0410 0.0205 -0.0037 -0.0021 71 TYR E N 7315 C CA . TYR E 71 ? 0.0689 0.0854 0.0334 0.0048 -0.0008 0.0129 71 TYR E CA 7316 C C . TYR E 71 ? 0.0619 0.0989 0.0275 0.0060 0.0003 0.0081 71 TYR E C 7317 O O . TYR E 71 ? 0.0815 0.1129 0.0332 -0.0129 0.0053 0.0100 71 TYR E O 7318 C CB . TYR E 71 ? 0.0809 0.1036 0.0620 0.0074 0.0108 0.0245 71 TYR E CB 7319 C CG . TYR E 71 ? 0.0980 0.1233 0.0767 0.0049 0.0238 0.0305 71 TYR E CG 7320 C CD1 . TYR E 71 ? 0.0980 0.1107 0.0859 -0.0040 0.0171 0.0275 71 TYR E CD1 7321 C CD2 . TYR E 71 ? 0.1188 0.1622 0.0826 -0.0100 0.0246 0.0424 71 TYR E CD2 7322 C CE1 . TYR E 71 ? 0.1027 0.1017 0.0869 -0.0381 0.0143 0.0240 71 TYR E CE1 7323 C CE2 . TYR E 71 ? 0.1224 0.1616 0.1040 -0.0458 0.0232 0.0398 71 TYR E CE2 7324 C CZ . TYR E 71 ? 0.1074 0.1411 0.0955 -0.0475 0.0225 0.0162 71 TYR E CZ 7325 O OH . TYR E 71 ? 0.1281 0.1997 0.1129 -0.0560 0.0365 0.0179 71 TYR E OH 7326 N N . SER E 72 ? 0.0530 0.1024 0.0376 0.0212 0.0132 0.0132 72 SER E N 7327 C CA . SER E 72 ? 0.0603 0.0729 0.0424 0.0039 0.0095 -0.0033 72 SER E CA 7328 C C . SER E 72 ? 0.0597 0.0604 0.0204 0.0001 0.0118 -0.0005 72 SER E C 7329 O O . SER E 72 ? 0.0740 0.0578 0.0306 0.0021 0.0175 -0.0101 72 SER E O 7330 C CB . SER E 72 ? 0.0927 0.0741 0.0552 -0.0035 -0.0116 -0.0053 72 SER E CB 7331 O OG . SER E 72 ? 0.1452 0.1017 0.0760 0.0252 -0.0146 -0.0122 72 SER E OG 7332 N N . LEU E 73 ? 0.0373 0.0689 0.0215 -0.0114 0.0051 -0.0060 73 LEU E N 7333 C CA . LEU E 73 ? 0.0516 0.0558 0.0264 -0.0139 0.0132 -0.0113 73 LEU E CA 7334 C C . LEU E 73 ? 0.0518 0.0453 0.0266 -0.0139 0.0159 -0.0076 73 LEU E C 7335 O O . LEU E 73 ? 0.0681 0.0849 0.0312 -0.0147 0.0158 -0.0015 73 LEU E O 7336 C CB . LEU E 73 ? 0.0565 0.0766 0.0386 -0.0002 0.0248 -0.0041 73 LEU E CB 7337 C CG . LEU E 73 ? 0.0739 0.0825 0.0426 0.0021 0.0298 -0.0028 73 LEU E CG 7338 C CD1 . LEU E 73 ? 0.1073 0.0870 0.0358 0.0082 0.0165 -0.0008 73 LEU E CD1 7339 C CD2 . LEU E 73 ? 0.0808 0.0905 0.0690 0.0066 0.0150 -0.0202 73 LEU E CD2 7340 N N . TYR E 74 ? 0.0583 0.0441 0.0294 -0.0163 0.0094 0.0086 74 TYR E N 7341 C CA . TYR E 74 ? 0.0709 0.0514 0.0294 -0.0157 0.0104 0.0087 74 TYR E CA 7342 C C . TYR E 74 ? 0.0608 0.0548 0.0267 0.0007 0.0057 0.0010 74 TYR E C 7343 O O . TYR E 74 ? 0.0757 0.0932 0.0308 -0.0017 0.0077 0.0089 74 TYR E O 7344 C CB . TYR E 74 ? 0.1013 0.0568 0.0507 -0.0247 0.0257 -0.0088 74 TYR E CB 7345 C CG . TYR E 74 ? 0.1151 0.0629 0.0786 -0.0059 0.0442 -0.0015 74 TYR E CG 7346 C CD1 . TYR E 74 ? 0.1273 0.0908 0.0823 0.0097 0.0468 0.0117 74 TYR E CD1 7347 C CD2 . TYR E 74 ? 0.1397 0.0716 0.1297 0.0284 0.0450 0.0036 74 TYR E CD2 7348 C CE1 . TYR E 74 ? 0.1402 0.0958 0.1112 0.0270 0.0546 0.0115 74 TYR E CE1 7349 C CE2 . TYR E 74 ? 0.1686 0.0994 0.1671 0.0376 0.0611 0.0190 74 TYR E CE2 7350 C CZ . TYR E 74 ? 0.1798 0.1314 0.1698 0.0677 0.0655 0.0287 74 TYR E CZ 7351 O OH . TYR E 74 ? 0.2288 0.1726 0.2241 0.0967 0.0860 0.0448 74 TYR E OH 7352 N N . ILE E 75 ? 0.0555 0.0605 0.0381 -0.0009 0.0158 0.0002 75 ILE E N 7353 C CA . ILE E 75 ? 0.0720 0.0567 0.0439 -0.0027 0.0122 0.0056 75 ILE E CA 7354 C C . ILE E 75 ? 0.0626 0.0837 0.0362 -0.0142 0.0063 -0.0118 75 ILE E C 7355 O O . ILE E 75 ? 0.0747 0.0764 0.0317 -0.0141 0.0177 -0.0022 75 ILE E O 7356 C CB . ILE E 75 ? 0.0697 0.0594 0.0638 -0.0117 0.0208 0.0048 75 ILE E CB 7357 C CG1 . ILE E 75 ? 0.0770 0.0575 0.0846 -0.0074 0.0248 0.0117 75 ILE E CG1 7358 C CG2 . ILE E 75 ? 0.0598 0.0768 0.0733 -0.0130 0.0135 -0.0109 75 ILE E CG2 7359 C CD1 . ILE E 75 ? 0.0963 0.0966 0.1053 -0.0233 0.0373 0.0013 75 ILE E CD1 7360 N N . GLY E 76 ? 0.0687 0.0924 0.0369 -0.0192 0.0102 0.0005 76 GLY E N 7361 C CA . GLY E 76 ? 0.0689 0.0899 0.0492 -0.0272 0.0039 0.0061 76 GLY E CA 7362 C C . GLY E 76 ? 0.0853 0.1066 0.0698 -0.0363 0.0101 -0.0146 76 GLY E C 7363 O O . GLY E 76 ? 0.1056 0.0903 0.0817 -0.0448 0.0328 -0.0014 76 GLY E O 7364 N N . ARG E 77 ? 0.0861 0.1084 0.0859 -0.0387 0.0208 -0.0181 77 ARG E N 7365 C CA . ARG E 77 ? 0.1134 0.0894 0.1100 -0.0183 0.0236 -0.0257 77 ARG E CA 7366 C C . ARG E 77 ? 0.1053 0.0801 0.0969 -0.0078 0.0262 -0.0161 77 ARG E C 7367 O O . ARG E 77 ? 0.1430 0.0939 0.1135 0.0167 0.0351 -0.0170 77 ARG E O 7368 C CB . ARG E 77 ? 0.1547 0.1294 0.1692 -0.0129 0.0091 -0.0585 77 ARG E CB 7369 C CG . ARG E 77 ? 0.2217 0.1682 0.2092 -0.0419 0.0218 -0.0561 77 ARG E CG 7370 C CD . ARG E 77 ? 0.2552 0.1762 0.2348 -0.0780 0.0185 -0.0766 77 ARG E CD 7371 N NE . ARG E 77 ? 0.2793 0.1933 0.2583 -0.0921 0.0323 -0.0689 77 ARG E NE 7372 C CZ . ARG E 77 ? 0.3049 0.2021 0.2757 -0.0898 0.0521 -0.0411 77 ARG E CZ 7373 N NH1 . ARG E 77 ? 0.3027 0.1891 0.2815 -0.0948 0.0397 -0.0383 77 ARG E NH1 7374 N NH2 . ARG E 77 ? 0.3285 0.2171 0.2839 -0.0765 0.0778 -0.0330 77 ARG E NH2 7375 N N . HIS E 78 ? 0.0893 0.0805 0.0727 -0.0116 0.0095 0.0037 78 HIS E N 7376 C CA . HIS E 78 ? 0.0809 0.0873 0.0550 -0.0204 0.0169 0.0081 78 HIS E CA 7377 C C . HIS E 78 ? 0.0821 0.0588 0.0557 -0.0305 0.0154 0.0099 78 HIS E C 7378 O O . HIS E 78 ? 0.0860 0.0799 0.0783 -0.0130 0.0333 0.0274 78 HIS E O 7379 C CB . HIS E 78 ? 0.1134 0.1002 0.0465 -0.0154 0.0218 0.0180 78 HIS E CB 7380 C CG . HIS E 78 ? 0.1327 0.1236 0.0644 -0.0309 0.0275 0.0233 78 HIS E CG 7381 N ND1 . HIS E 78 ? 0.1490 0.1494 0.1012 -0.0361 0.0382 0.0164 78 HIS E ND1 7382 C CD2 . HIS E 78 ? 0.1349 0.1453 0.0904 -0.0418 0.0458 0.0152 78 HIS E CD2 7383 C CE1 . HIS E 78 ? 0.1508 0.1688 0.1019 -0.0556 0.0520 0.0033 78 HIS E CE1 7384 N NE2 . HIS E 78 ? 0.1468 0.1647 0.0933 -0.0364 0.0557 0.0070 78 HIS E NE2 7385 N N . LYS E 79 ? 0.0986 0.0912 0.0709 -0.0546 0.0041 0.0020 79 LYS E N 7386 C CA . LYS E 79 ? 0.1299 0.1127 0.0795 -0.0245 0.0107 -0.0213 79 LYS E CA 7387 C C . LYS E 79 ? 0.0995 0.1007 0.0496 -0.0200 0.0108 -0.0010 79 LYS E C 7388 O O . LYS E 79 ? 0.1204 0.1333 0.0631 -0.0299 0.0297 0.0067 79 LYS E O 7389 C CB . LYS E 79 ? 0.2088 0.1835 0.1529 -0.0045 0.0162 -0.0792 79 LYS E CB 7390 C CG . LYS E 79 ? 0.2910 0.2301 0.1946 0.0350 0.0264 -0.0818 79 LYS E CG 7391 C CD . LYS E 79 ? 0.3376 0.2813 0.2462 0.0444 0.0256 -0.0789 79 LYS E CD 7392 C CE . LYS E 79 ? 0.3724 0.3391 0.2904 0.0235 0.0239 -0.0799 79 LYS E CE 7393 N NZ . LYS E 79 ? 0.3894 0.3873 0.3200 0.0107 0.0255 -0.0697 79 LYS E NZ 7394 N N . VAL E 80 ? 0.0796 0.0864 0.0311 -0.0019 0.0052 0.0148 80 VAL E N 7395 C CA . VAL E 80 ? 0.0640 0.1013 0.0315 -0.0023 0.0022 0.0162 80 VAL E CA 7396 C C . VAL E 80 ? 0.0575 0.0836 0.0306 -0.0120 0.0121 0.0081 80 VAL E C 7397 O O . VAL E 80 ? 0.0706 0.0937 0.0387 0.0001 0.0192 0.0167 80 VAL E O 7398 C CB . VAL E 80 ? 0.0659 0.1353 0.0387 0.0183 -0.0070 0.0029 80 VAL E CB 7399 C CG1 . VAL E 80 ? 0.0818 0.1679 0.0568 0.0113 0.0057 -0.0040 80 VAL E CG1 7400 C CG2 . VAL E 80 ? 0.0619 0.1281 0.0412 0.0258 -0.0074 -0.0197 80 VAL E CG2 7401 N N . THR E 81 ? 0.0506 0.0864 0.0390 -0.0231 0.0075 0.0010 81 THR E N 7402 C CA . THR E 81 ? 0.0683 0.1016 0.0578 -0.0233 0.0085 -0.0045 81 THR E CA 7403 C C . THR E 81 ? 0.0608 0.0825 0.0394 -0.0177 0.0180 0.0085 81 THR E C 7404 O O . THR E 81 ? 0.0848 0.0941 0.0326 -0.0112 0.0168 0.0033 81 THR E O 7405 C CB . THR E 81 ? 0.0951 0.1173 0.0878 -0.0034 -0.0120 -0.0123 81 THR E CB 7406 O OG1 . THR E 81 ? 0.1281 0.1143 0.1075 -0.0068 -0.0273 -0.0096 81 THR E OG1 7407 C CG2 . THR E 81 ? 0.1166 0.1418 0.1097 -0.0047 -0.0076 -0.0065 81 THR E CG2 7408 N N . SER E 82 ? 0.0592 0.0868 0.0498 -0.0131 -0.0044 0.0065 82 SER E N 7409 C CA . SER E 82 ? 0.0574 0.1109 0.0702 -0.0039 0.0082 -0.0015 82 SER E CA 7410 C C . SER E 82 ? 0.0590 0.1164 0.0453 -0.0083 0.0177 -0.0077 82 SER E C 7411 O O . SER E 82 ? 0.0732 0.1368 0.0411 -0.0115 0.0134 -0.0049 82 SER E O 7412 C CB . SER E 82 ? 0.0897 0.1435 0.1337 0.0082 0.0288 0.0114 82 SER E CB 7413 O OG . SER E 82 ? 0.1178 0.1306 0.1820 0.0204 0.0414 0.0227 82 SER E OG 7414 N N . LYS E 83 ? 0.0538 0.1232 0.0399 -0.0128 0.0100 -0.0163 83 LYS E N 7415 C CA . LYS E 83 ? 0.0653 0.0985 0.0527 -0.0072 0.0076 -0.0296 83 LYS E CA 7416 C C . LYS E 83 ? 0.0756 0.0979 0.0342 -0.0088 0.0067 -0.0042 83 LYS E C 7417 O O . LYS E 83 ? 0.0896 0.0923 0.0387 0.0079 0.0118 -0.0046 83 LYS E O 7418 C CB . LYS E 83 ? 0.0905 0.1272 0.0844 -0.0059 0.0041 -0.0094 83 LYS E CB 7419 C CG . LYS E 83 ? 0.1324 0.1944 0.1539 0.0082 0.0036 0.0199 83 LYS E CG 7420 C CD . LYS E 83 ? 0.1791 0.2369 0.2345 0.0249 0.0096 0.0344 83 LYS E CD 7421 C CE . LYS E 83 ? 0.2255 0.2783 0.2950 0.0312 0.0066 0.0392 83 LYS E CE 7422 N NZ . LYS E 83 ? 0.2592 0.3179 0.3310 0.0408 0.0156 0.0236 83 LYS E NZ 7423 N N . VAL E 84 ? 0.0704 0.0919 0.0355 -0.0117 0.0047 -0.0104 84 VAL E N 7424 C CA . VAL E 84 ? 0.0841 0.1038 0.0478 -0.0128 0.0081 -0.0098 84 VAL E CA 7425 C C . VAL E 84 ? 0.0846 0.1255 0.0580 -0.0135 0.0084 -0.0196 84 VAL E C 7426 O O . VAL E 84 ? 0.0864 0.1366 0.0813 0.0040 0.0145 -0.0267 84 VAL E O 7427 C CB . VAL E 84 ? 0.1054 0.1262 0.0767 0.0025 0.0209 0.0125 84 VAL E CB 7428 C CG1 . VAL E 84 ? 0.1327 0.1481 0.0813 0.0011 0.0262 0.0275 84 VAL E CG1 7429 C CG2 . VAL E 84 ? 0.1163 0.1250 0.1079 0.0195 0.0237 0.0111 84 VAL E CG2 7430 N N . ILE E 85 ? 0.0886 0.1540 0.0610 -0.0203 0.0192 -0.0248 85 ILE E N 7431 C CA . ILE E 85 ? 0.0958 0.1945 0.0625 -0.0302 0.0134 -0.0208 85 ILE E CA 7432 C C . ILE E 85 ? 0.1196 0.2005 0.0738 -0.0126 0.0345 -0.0239 85 ILE E C 7433 O O . ILE E 85 ? 0.1405 0.2073 0.0814 -0.0189 0.0472 -0.0034 85 ILE E O 7434 C CB . ILE E 85 ? 0.1086 0.2362 0.0759 -0.0458 0.0161 -0.0143 85 ILE E CB 7435 C CG1 . ILE E 85 ? 0.1477 0.2838 0.0829 -0.0480 0.0141 0.0044 85 ILE E CG1 7436 C CG2 . ILE E 85 ? 0.0959 0.2523 0.0842 -0.0286 0.0145 -0.0114 85 ILE E CG2 7437 C CD1 . ILE E 85 ? 0.1639 0.3067 0.0853 -0.0384 0.0010 0.0153 85 ILE E CD1 7438 N N . GLU E 86 ? 0.1335 0.2273 0.0791 -0.0264 0.0322 -0.0309 86 GLU E N 7439 C CA . GLU E 86 ? 0.1511 0.2397 0.0942 -0.0181 0.0174 -0.0494 86 GLU E CA 7440 C C . GLU E 86 ? 0.1602 0.2620 0.1014 -0.0116 0.0322 -0.0543 86 GLU E C 7441 O O . GLU E 86 ? 0.1700 0.2834 0.1144 -0.0065 0.0563 -0.0388 86 GLU E O 7442 C CB . GLU E 86 ? 0.1782 0.2452 0.1466 -0.0117 0.0098 -0.0505 86 GLU E CB 7443 C CG . GLU E 86 ? 0.1977 0.2360 0.1750 -0.0186 -0.0037 -0.0337 86 GLU E CG 7444 C CD . GLU E 86 ? 0.2110 0.2224 0.1773 -0.0211 -0.0212 0.0018 86 GLU E CD 7445 O OE1 . GLU E 86 ? 0.1812 0.2202 0.1632 -0.0134 -0.0038 0.0229 86 GLU E OE1 7446 O OE2 . GLU E 86 ? 0.2321 0.1868 0.1777 -0.0298 -0.0482 0.0154 86 GLU E OE2 7447 N N . LYS E 87 ? 0.1604 0.2574 0.1068 -0.0026 0.0391 -0.0593 87 LYS E N 7448 C CA . LYS E 87 ? 0.1671 0.2623 0.1137 0.0051 0.0402 -0.0642 87 LYS E CA 7449 C C . LYS E 87 ? 0.1490 0.2531 0.0929 0.0024 0.0328 -0.0459 87 LYS E C 7450 O O . LYS E 87 ? 0.1531 0.2441 0.0977 -0.0066 0.0332 -0.0475 87 LYS E O 7451 C CB . LYS E 87 ? 0.2122 0.2996 0.1490 -0.0127 0.0404 -0.0794 87 LYS E CB 7452 C CG . LYS E 87 ? 0.2621 0.3518 0.2020 -0.0250 0.0322 -0.0605 87 LYS E CG 7453 C CD . LYS E 87 ? 0.3117 0.4028 0.2528 -0.0263 0.0291 -0.0496 87 LYS E CD 7454 C CE . LYS E 87 ? 0.3633 0.4350 0.2932 -0.0279 0.0300 -0.0460 87 LYS E CE 7455 N NZ . LYS E 87 ? 0.3939 0.4671 0.3218 -0.0126 0.0317 -0.0417 87 LYS E NZ 7456 N N . PHE E 88 ? 0.1326 0.2365 0.0718 0.0163 0.0081 -0.0321 88 PHE E N 7457 C CA . PHE E 88 ? 0.1198 0.1884 0.0691 0.0004 0.0050 -0.0192 88 PHE E CA 7458 C C . PHE E 88 ? 0.1037 0.1496 0.0655 0.0108 0.0042 -0.0102 88 PHE E C 7459 O O . PHE E 88 ? 0.1226 0.1818 0.0870 -0.0041 -0.0018 0.0007 88 PHE E O 7460 C CB . PHE E 88 ? 0.1434 0.1940 0.0839 -0.0145 0.0046 -0.0059 88 PHE E CB 7461 C CG . PHE E 88 ? 0.1669 0.1780 0.0855 -0.0200 0.0073 0.0131 88 PHE E CG 7462 C CD1 . PHE E 88 ? 0.1800 0.1796 0.0914 -0.0178 0.0088 0.0280 88 PHE E CD1 7463 C CD2 . PHE E 88 ? 0.1907 0.1806 0.0901 -0.0019 0.0067 0.0123 88 PHE E CD2 7464 C CE1 . PHE E 88 ? 0.1996 0.1946 0.1044 -0.0197 0.0031 0.0171 88 PHE E CE1 7465 C CE2 . PHE E 88 ? 0.2147 0.1994 0.1092 0.0009 0.0083 0.0092 88 PHE E CE2 7466 C CZ . PHE E 88 ? 0.2188 0.1984 0.0966 -0.0113 0.0062 0.0090 88 PHE E CZ 7467 N N . PRO E 89 ? 0.0987 0.1276 0.0636 0.0216 0.0145 -0.0150 89 PRO E N 7468 C CA . PRO E 89 ? 0.1180 0.1292 0.0623 0.0341 0.0221 -0.0074 89 PRO E CA 7469 C C . PRO E 89 ? 0.1116 0.1221 0.0709 0.0145 -0.0014 -0.0175 89 PRO E C 7470 O O . PRO E 89 ? 0.1126 0.1382 0.1080 0.0152 -0.0133 -0.0125 89 PRO E O 7471 C CB . PRO E 89 ? 0.1454 0.1447 0.0612 0.0312 0.0224 -0.0145 89 PRO E CB 7472 C CG . PRO E 89 ? 0.1516 0.1671 0.0824 0.0455 0.0291 -0.0102 89 PRO E CG 7473 C CD . PRO E 89 ? 0.1180 0.1374 0.0780 0.0274 0.0181 -0.0255 89 PRO E CD 7474 N N . ALA E 90 ? 0.1083 0.1078 0.0617 0.0337 0.0067 -0.0186 90 ALA E N 7475 C CA . ALA E 90 ? 0.1149 0.1152 0.0731 0.0364 -0.0075 -0.0249 90 ALA E CA 7476 C C . ALA E 90 ? 0.0866 0.1040 0.0630 0.0114 -0.0056 -0.0128 90 ALA E C 7477 O O . ALA E 90 ? 0.1007 0.1044 0.0599 -0.0100 -0.0017 0.0048 90 ALA E O 7478 C CB . ALA E 90 ? 0.1515 0.1495 0.0855 0.0577 -0.0351 -0.0372 90 ALA E CB 7479 N N . PRO E 91 ? 0.0760 0.0813 0.0577 0.0116 0.0138 -0.0143 91 PRO E N 7480 C CA . PRO E 91 ? 0.0793 0.0806 0.0541 0.0107 0.0257 0.0108 91 PRO E CA 7481 C C . PRO E 91 ? 0.0830 0.0897 0.0375 0.0248 0.0108 0.0023 91 PRO E C 7482 O O . PRO E 91 ? 0.0851 0.1295 0.0492 0.0294 -0.0015 -0.0216 91 PRO E O 7483 C CB . PRO E 91 ? 0.1075 0.1043 0.0799 -0.0034 0.0175 0.0061 91 PRO E CB 7484 C CG . PRO E 91 ? 0.1009 0.0978 0.0923 -0.0402 0.0398 0.0030 91 PRO E CG 7485 C CD . PRO E 91 ? 0.0760 0.1022 0.0787 -0.0183 0.0220 -0.0116 91 PRO E CD 7486 N N . VAL E 92 ? 0.0738 0.0846 0.0336 0.0190 0.0040 -0.0166 92 VAL E N 7487 C CA . VAL E 92 ? 0.0768 0.0757 0.0352 0.0126 0.0026 -0.0219 92 VAL E CA 7488 C C . VAL E 92 ? 0.0664 0.0537 0.0271 0.0079 -0.0023 -0.0161 92 VAL E C 7489 O O . VAL E 92 ? 0.0985 0.1032 0.0454 0.0203 0.0040 -0.0269 92 VAL E O 7490 C CB . VAL E 92 ? 0.1173 0.0967 0.0414 0.0306 0.0178 0.0016 92 VAL E CB 7491 C CG1 . VAL E 92 ? 0.1391 0.1023 0.0598 0.0020 0.0245 -0.0075 92 VAL E CG1 7492 C CG2 . VAL E 92 ? 0.1392 0.0967 0.0436 0.0179 0.0216 0.0027 92 VAL E CG2 7493 N N . HIS E 93 ? 0.0721 0.0655 0.0257 -0.0009 0.0000 -0.0174 93 HIS E N 7494 C CA . HIS E 93 ? 0.0599 0.0427 0.0228 -0.0070 -0.0031 -0.0112 93 HIS E CA 7495 C C . HIS E 93 ? 0.0554 0.0542 0.0161 -0.0022 0.0030 0.0026 93 HIS E C 7496 O O . HIS E 93 ? 0.0727 0.0709 0.0292 -0.0117 -0.0007 0.0041 93 HIS E O 7497 C CB . HIS E 93 ? 0.0927 0.0496 0.0297 -0.0069 0.0022 -0.0079 93 HIS E CB 7498 C CG . HIS E 93 ? 0.1071 0.0532 0.0379 0.0057 0.0068 -0.0026 93 HIS E CG 7499 N ND1 . HIS E 93 ? 0.1053 0.0540 0.0491 0.0124 0.0146 0.0088 93 HIS E ND1 7500 C CD2 . HIS E 93 ? 0.1054 0.0727 0.0390 0.0100 0.0049 -0.0028 93 HIS E CD2 7501 C CE1 . HIS E 93 ? 0.0983 0.0620 0.0465 0.0243 0.0067 -0.0003 93 HIS E CE1 7502 N NE2 . HIS E 93 ? 0.1051 0.0736 0.0590 0.0096 -0.0116 -0.0102 93 HIS E NE2 7503 N N . ILE E 94 ? 0.0566 0.0666 0.0205 -0.0039 0.0071 0.0052 94 ILE E N 7504 C CA . ILE E 94 ? 0.0692 0.0947 0.0339 -0.0150 0.0077 0.0153 94 ILE E CA 7505 C C . ILE E 94 ? 0.0631 0.0979 0.0355 0.0020 0.0058 0.0222 94 ILE E C 7506 O O . ILE E 94 ? 0.0688 0.1239 0.0405 0.0086 0.0045 0.0233 94 ILE E O 7507 C CB . ILE E 94 ? 0.0938 0.0902 0.0784 -0.0347 0.0004 0.0309 94 ILE E CB 7508 C CG1 . ILE E 94 ? 0.1275 0.0738 0.1162 -0.0249 -0.0148 0.0091 94 ILE E CG1 7509 C CG2 . ILE E 94 ? 0.1203 0.1118 0.0933 -0.0448 0.0159 0.0214 94 ILE E CG2 7510 C CD1 . ILE E 94 ? 0.1640 0.1027 0.1464 -0.0109 -0.0273 0.0002 94 ILE E CD1 7511 N N A CYS E 95 ? 0.0667 0.0864 0.0321 -0.0071 0.0041 0.0196 95 CYS E N 7512 N N B CYS E 95 ? 0.0683 0.1149 0.0392 -0.0013 0.0060 0.0229 95 CYS E N 7513 C CA A CYS E 95 ? 0.0814 0.1018 0.0337 -0.0135 0.0017 0.0170 95 CYS E CA 7514 C CA B CYS E 95 ? 0.0840 0.1378 0.0573 0.0075 0.0004 0.0205 95 CYS E CA 7515 C C A CYS E 95 ? 0.0684 0.0666 0.0202 -0.0004 0.0031 0.0087 95 CYS E C 7516 C C B CYS E 95 ? 0.0728 0.1150 0.0355 0.0018 0.0049 0.0180 95 CYS E C 7517 O O A CYS E 95 ? 0.0598 0.0368 0.0223 0.0202 -0.0048 -0.0063 95 CYS E O 7518 O O B CYS E 95 ? 0.0732 0.1461 0.0386 -0.0024 0.0026 0.0060 95 CYS E O 7519 C CB A CYS E 95 ? 0.1054 0.1321 0.0513 -0.0357 0.0036 0.0228 95 CYS E CB 7520 C CB B CYS E 95 ? 0.1057 0.1556 0.1082 0.0299 -0.0110 0.0149 95 CYS E CB 7521 S SG A CYS E 95 ? 0.1404 0.1584 0.0672 -0.0408 0.0195 -0.0064 95 CYS E SG 7522 S SG B CYS E 95 ? 0.1213 0.1684 0.1534 0.0326 -0.0172 -0.0119 95 CYS E SG 7523 N N . VAL E 96 ? 0.0666 0.0579 0.0198 -0.0004 -0.0047 0.0103 96 VAL E N 7524 C CA . VAL E 96 ? 0.0678 0.0667 0.0333 0.0035 -0.0043 0.0229 96 VAL E CA 7525 C C . VAL E 96 ? 0.0599 0.0621 0.0281 0.0025 0.0012 0.0194 96 VAL E C 7526 O O . VAL E 96 ? 0.0669 0.0706 0.0287 0.0087 0.0004 0.0180 96 VAL E O 7527 C CB . VAL E 96 ? 0.0902 0.0662 0.0699 0.0089 0.0082 0.0301 96 VAL E CB 7528 C CG1 . VAL E 96 ? 0.1236 0.0864 0.0975 0.0054 -0.0002 -0.0042 96 VAL E CG1 7529 C CG2 . VAL E 96 ? 0.0874 0.0949 0.1074 0.0168 0.0153 0.0405 96 VAL E CG2 7530 N N . SER E 97 ? 0.0681 0.0960 0.0450 0.0212 0.0185 0.0254 97 SER E N 7531 C CA . SER E 97 ? 0.0607 0.0890 0.0350 0.0107 0.0155 0.0155 97 SER E CA 7532 C C . SER E 97 ? 0.0488 0.0727 0.0350 0.0098 0.0165 0.0156 97 SER E C 7533 O O . SER E 97 ? 0.0522 0.1044 0.0394 0.0061 0.0047 0.0260 97 SER E O 7534 C CB . SER E 97 ? 0.0800 0.1085 0.0519 -0.0016 0.0151 0.0329 97 SER E CB 7535 O OG . SER E 97 ? 0.0956 0.1133 0.0636 0.0032 0.0177 0.0251 97 SER E OG 7536 N N . TRP E 98 ? 0.0571 0.0830 0.0310 0.0100 0.0089 0.0176 98 TRP E N 7537 C CA . TRP E 98 ? 0.0478 0.0714 0.0333 -0.0037 0.0064 0.0214 98 TRP E CA 7538 C C . TRP E 98 ? 0.0602 0.0695 0.0293 -0.0064 0.0175 0.0074 98 TRP E C 7539 O O . TRP E 98 ? 0.0693 0.0932 0.0442 0.0008 0.0117 0.0219 98 TRP E O 7540 C CB . TRP E 98 ? 0.0573 0.0708 0.0383 0.0114 0.0193 0.0183 98 TRP E CB 7541 C CG . TRP E 98 ? 0.0795 0.0829 0.0458 0.0042 0.0203 0.0190 98 TRP E CG 7542 C CD1 . TRP E 98 ? 0.0838 0.1021 0.0444 0.0044 0.0210 0.0200 98 TRP E CD1 7543 C CD2 . TRP E 98 ? 0.0756 0.0943 0.0519 -0.0074 0.0205 -0.0118 98 TRP E CD2 7544 N NE1 . TRP E 98 ? 0.0987 0.1091 0.0612 -0.0065 0.0241 0.0013 98 TRP E NE1 7545 C CE2 . TRP E 98 ? 0.0817 0.1157 0.0656 -0.0095 0.0272 -0.0224 98 TRP E CE2 7546 C CE3 . TRP E 98 ? 0.0744 0.1171 0.0682 -0.0083 0.0294 -0.0282 98 TRP E CE3 7547 C CZ2 . TRP E 98 ? 0.0870 0.1353 0.0854 -0.0248 0.0349 -0.0459 98 TRP E CZ2 7548 C CZ3 . TRP E 98 ? 0.0846 0.1388 0.0796 -0.0080 0.0225 -0.0504 98 TRP E CZ3 7549 C CH2 . TRP E 98 ? 0.0782 0.1338 0.0803 -0.0254 0.0242 -0.0524 98 TRP E CH2 7550 N N . GLU E 99 ? 0.0768 0.0968 0.0453 0.0010 0.0297 0.0086 99 GLU E N 7551 C CA . GLU E 99 ? 0.0871 0.0864 0.0685 -0.0072 0.0374 0.0214 99 GLU E CA 7552 C C . GLU E 99 ? 0.0710 0.0893 0.0743 -0.0067 0.0408 0.0087 99 GLU E C 7553 O O . GLU E 99 ? 0.0721 0.1132 0.0878 -0.0084 0.0361 0.0282 99 GLU E O 7554 C CB . GLU E 99 ? 0.1239 0.0613 0.1190 -0.0004 0.0380 0.0070 99 GLU E CB 7555 C CG . GLU E 99 ? 0.1824 0.0926 0.1482 0.0053 -0.0062 -0.0007 99 GLU E CG 7556 C CD . GLU E 99 ? 0.2632 0.1297 0.1784 0.0145 -0.0370 -0.0005 99 GLU E CD 7557 O OE1 . GLU E 99 ? 0.2705 0.1333 0.1495 0.0145 -0.0344 -0.0113 99 GLU E OE1 7558 O OE2 . GLU E 99 ? 0.3270 0.1799 0.2203 0.0033 -0.0589 0.0283 99 GLU E OE2 7559 N N . SER E 100 ? 0.0782 0.0711 0.0700 -0.0019 0.0347 0.0179 100 SER E N 7560 C CA . SER E 100 ? 0.0779 0.1022 0.0634 0.0098 0.0215 0.0134 100 SER E CA 7561 C C . SER E 100 ? 0.0845 0.1037 0.0440 -0.0036 0.0260 0.0076 100 SER E C 7562 O O . SER E 100 ? 0.1059 0.1160 0.0358 0.0005 0.0099 0.0070 100 SER E O 7563 C CB . SER E 100 ? 0.0800 0.1260 0.0559 -0.0091 0.0059 0.0175 100 SER E CB 7564 O OG . SER E 100 ? 0.0974 0.1510 0.0626 0.0014 -0.0059 -0.0037 100 SER E OG 7565 N N . SER E 101 ? 0.0764 0.0885 0.0538 0.0002 0.0313 0.0152 101 SER E N 7566 C CA . SER E 101 ? 0.0908 0.0894 0.0733 0.0200 0.0282 0.0026 101 SER E CA 7567 C C . SER E 101 ? 0.0824 0.1056 0.0518 0.0134 0.0325 -0.0006 101 SER E C 7568 O O . SER E 101 ? 0.1069 0.1626 0.0618 0.0204 0.0324 0.0115 101 SER E O 7569 C CB . SER E 101 ? 0.1361 0.1146 0.1206 0.0391 0.0143 0.0102 101 SER E CB 7570 O OG . SER E 101 ? 0.1809 0.1577 0.1552 0.0226 -0.0002 0.0128 101 SER E OG 7571 N N . SER E 102 ? 0.0901 0.1058 0.0394 0.0146 0.0112 0.0131 102 SER E N 7572 C CA . SER E 102 ? 0.0901 0.1101 0.0353 0.0228 0.0109 0.0010 102 SER E CA 7573 C C . SER E 102 ? 0.0873 0.1080 0.0358 0.0033 0.0157 0.0136 102 SER E C 7574 O O . SER E 102 ? 0.1220 0.1245 0.0401 0.0103 0.0178 0.0098 102 SER E O 7575 C CB . SER E 102 ? 0.0956 0.1062 0.0483 0.0313 0.0175 -0.0128 102 SER E CB 7576 O OG . SER E 102 ? 0.0954 0.0947 0.0589 -0.0020 0.0158 0.0000 102 SER E OG 7577 N N . GLY E 103 ? 0.0587 0.0916 0.0368 0.0111 0.0142 0.0122 103 GLY E N 7578 C CA . GLY E 103 ? 0.0677 0.1077 0.0410 -0.0036 0.0205 0.0070 103 GLY E CA 7579 C C . GLY E 103 ? 0.0614 0.0818 0.0282 -0.0073 0.0083 0.0102 103 GLY E C 7580 O O . GLY E 103 ? 0.0766 0.0905 0.0381 -0.0026 0.0102 0.0077 103 GLY E O 7581 N N . ILE E 104 ? 0.0476 0.0861 0.0433 -0.0092 0.0020 0.0072 104 ILE E N 7582 C CA . ILE E 104 ? 0.0667 0.0875 0.0429 -0.0237 -0.0036 0.0107 104 ILE E CA 7583 C C . ILE E 104 ? 0.0773 0.0614 0.0293 -0.0039 -0.0002 0.0181 104 ILE E C 7584 O O . ILE E 104 ? 0.0806 0.0747 0.0354 0.0056 0.0004 0.0242 104 ILE E O 7585 C CB . ILE E 104 ? 0.0836 0.1124 0.0525 -0.0270 -0.0008 -0.0015 104 ILE E CB 7586 C CG1 . ILE E 104 ? 0.0988 0.1352 0.0557 0.0009 0.0135 0.0272 104 ILE E CG1 7587 C CG2 . ILE E 104 ? 0.0961 0.1219 0.0685 -0.0459 -0.0081 -0.0217 104 ILE E CG2 7588 C CD1 . ILE E 104 ? 0.1220 0.1710 0.0746 0.0289 0.0168 0.0208 104 ILE E CD1 7589 N N . ALA E 105 ? 0.0749 0.0622 0.0365 0.0136 0.0024 0.0204 105 ALA E N 7590 C CA . ALA E 105 ? 0.0758 0.0705 0.0415 -0.0041 -0.0011 0.0264 105 ALA E CA 7591 C C . ALA E 105 ? 0.0673 0.0787 0.0366 -0.0068 0.0007 0.0253 105 ALA E C 7592 O O . ALA E 105 ? 0.0779 0.1149 0.0462 -0.0076 0.0054 0.0306 105 ALA E O 7593 C CB . ALA E 105 ? 0.0834 0.0915 0.0532 -0.0275 0.0046 0.0148 105 ALA E CB 7594 N N . GLU E 106 ? 0.0698 0.0824 0.0379 -0.0005 0.0050 0.0245 106 GLU E N 7595 C CA . GLU E 106 ? 0.0891 0.0938 0.0534 -0.0110 0.0053 0.0322 106 GLU E CA 7596 C C . GLU E 106 ? 0.0648 0.0689 0.0387 -0.0053 0.0024 0.0266 106 GLU E C 7597 O O . GLU E 106 ? 0.0776 0.1367 0.0671 0.0240 0.0116 0.0469 106 GLU E O 7598 C CB . GLU E 106 ? 0.1384 0.1491 0.0977 -0.0018 0.0319 0.0214 106 GLU E CB 7599 C CG . GLU E 106 ? 0.1757 0.1704 0.1326 0.0155 0.0368 0.0130 106 GLU E CG 7600 C CD . GLU E 106 ? 0.2052 0.1805 0.1667 0.0239 0.0618 0.0184 106 GLU E CD 7601 O OE1 . GLU E 106 ? 0.1984 0.1836 0.1928 0.0345 0.0679 -0.0115 106 GLU E OE1 7602 O OE2 . GLU E 106 ? 0.2424 0.2025 0.1704 0.0324 0.0575 0.0210 106 GLU E OE2 7603 N N . PHE E 107 ? 0.0722 0.0778 0.0412 -0.0088 0.0158 0.0227 107 PHE E N 7604 C CA . PHE E 107 ? 0.0545 0.0677 0.0256 -0.0009 -0.0064 0.0152 107 PHE E CA 7605 C C . PHE E 107 ? 0.0611 0.0534 0.0174 -0.0049 0.0021 0.0002 107 PHE E C 7606 O O . PHE E 107 ? 0.0781 0.0728 0.0222 -0.0056 0.0039 -0.0017 107 PHE E O 7607 C CB . PHE E 107 ? 0.0838 0.0865 0.0385 0.0044 -0.0227 0.0155 107 PHE E CB 7608 C CG . PHE E 107 ? 0.0965 0.0815 0.0499 0.0134 -0.0237 0.0202 107 PHE E CG 7609 C CD1 . PHE E 107 ? 0.0961 0.0964 0.0506 0.0035 -0.0160 -0.0023 107 PHE E CD1 7610 C CD2 . PHE E 107 ? 0.1014 0.0739 0.0564 0.0000 -0.0119 0.0091 107 PHE E CD2 7611 C CE1 . PHE E 107 ? 0.1040 0.0915 0.0619 0.0058 -0.0200 0.0009 107 PHE E CE1 7612 C CE2 . PHE E 107 ? 0.1041 0.0581 0.0634 -0.0052 -0.0171 0.0094 107 PHE E CE2 7613 C CZ . PHE E 107 ? 0.1057 0.0636 0.0671 0.0125 -0.0212 0.0045 107 PHE E CZ 7614 N N . TRP E 108 ? 0.0692 0.0688 0.0221 -0.0066 0.0081 0.0028 108 TRP E N 7615 C CA . TRP E 108 ? 0.0684 0.0492 0.0270 0.0062 0.0078 0.0141 108 TRP E CA 7616 C C . TRP E 108 ? 0.0537 0.0491 0.0189 0.0041 0.0034 -0.0098 108 TRP E C 7617 O O . TRP E 108 ? 0.0616 0.1043 0.0318 -0.0032 -0.0038 -0.0150 108 TRP E O 7618 C CB . TRP E 108 ? 0.1073 0.0656 0.0536 -0.0012 0.0240 0.0227 108 TRP E CB 7619 C CG . TRP E 108 ? 0.1179 0.0673 0.0783 -0.0029 0.0444 0.0193 108 TRP E CG 7620 C CD1 . TRP E 108 ? 0.1430 0.0682 0.1069 0.0040 0.0523 -0.0039 108 TRP E CD1 7621 C CD2 . TRP E 108 ? 0.1367 0.0757 0.0660 0.0215 0.0407 0.0177 108 TRP E CD2 7622 N NE1 . TRP E 108 ? 0.1531 0.0855 0.1142 0.0143 0.0606 -0.0014 108 TRP E NE1 7623 C CE2 . TRP E 108 ? 0.1527 0.0848 0.0751 0.0091 0.0536 0.0090 108 TRP E CE2 7624 C CE3 . TRP E 108 ? 0.1645 0.0772 0.0537 0.0264 0.0267 0.0123 108 TRP E CE3 7625 C CZ2 . TRP E 108 ? 0.1718 0.0991 0.0838 0.0188 0.0480 0.0313 108 TRP E CZ2 7626 C CZ3 . TRP E 108 ? 0.1931 0.1141 0.0581 0.0209 0.0150 0.0152 108 TRP E CZ3 7627 C CH2 . TRP E 108 ? 0.1887 0.1167 0.0557 0.0255 0.0166 0.0151 108 TRP E CH2 7628 N N . ILE E 109 ? 0.0579 0.0586 0.0174 0.0005 0.0062 -0.0035 109 ILE E N 7629 C CA . ILE E 109 ? 0.0685 0.0710 0.0218 -0.0039 -0.0090 0.0008 109 ILE E CA 7630 C C . ILE E 109 ? 0.0726 0.0924 0.0272 -0.0105 -0.0071 -0.0036 109 ILE E C 7631 O O . ILE E 109 ? 0.0787 0.1345 0.0438 -0.0228 -0.0062 -0.0047 109 ILE E O 7632 C CB . ILE E 109 ? 0.1121 0.0870 0.0373 0.0114 0.0109 0.0039 109 ILE E CB 7633 C CG1 . ILE E 109 ? 0.1597 0.0712 0.0505 0.0194 0.0103 -0.0011 109 ILE E CG1 7634 C CG2 . ILE E 109 ? 0.1066 0.1096 0.0705 0.0205 0.0255 -0.0010 109 ILE E CG2 7635 C CD1 . ILE E 109 ? 0.1908 0.0868 0.0743 -0.0042 -0.0049 -0.0101 109 ILE E CD1 7636 N N . ASN E 110 ? 0.0797 0.0921 0.0309 -0.0207 -0.0012 -0.0109 110 ASN E N 7637 C CA . ASN E 110 ? 0.0890 0.1327 0.0483 -0.0289 0.0157 -0.0165 110 ASN E CA 7638 C C . ASN E 110 ? 0.1068 0.1243 0.0589 -0.0572 0.0231 -0.0117 110 ASN E C 7639 O O . ASN E 110 ? 0.1402 0.1967 0.0777 -0.0738 0.0295 -0.0318 110 ASN E O 7640 C CB . ASN E 110 ? 0.0899 0.1977 0.0726 -0.0347 0.0153 -0.0244 110 ASN E CB 7641 C CG . ASN E 110 ? 0.0814 0.2026 0.0871 0.0004 -0.0063 -0.0281 110 ASN E CG 7642 O OD1 . ASN E 110 ? 0.0830 0.2022 0.0571 -0.0040 0.0051 -0.0230 110 ASN E OD1 7643 N ND2 . ASN E 110 ? 0.1037 0.2505 0.1277 0.0522 -0.0213 -0.0346 110 ASN E ND2 7644 N N . GLY E 111 ? 0.1302 0.1005 0.0577 -0.0551 0.0294 -0.0162 111 GLY E N 7645 C CA . GLY E 111 ? 0.1442 0.1152 0.0755 -0.0431 0.0430 -0.0337 111 GLY E CA 7646 C C . GLY E 111 ? 0.1642 0.1387 0.0746 -0.0387 0.0340 -0.0386 111 GLY E C 7647 O O . GLY E 111 ? 0.2130 0.1748 0.0961 -0.0358 0.0389 -0.0410 111 GLY E O 7648 N N A THR E 112 ? 0.1419 0.1392 0.0675 -0.0489 0.0292 -0.0342 112 THR E N 7649 N N B THR E 112 ? 0.1568 0.1521 0.0644 -0.0406 0.0295 -0.0272 112 THR E N 7650 C CA A THR E 112 ? 0.1296 0.1548 0.0598 -0.0401 0.0267 -0.0234 112 THR E CA 7651 C CA B THR E 112 ? 0.1491 0.1637 0.0585 -0.0256 0.0215 -0.0037 112 THR E CA 7652 C C A THR E 112 ? 0.1013 0.0979 0.0367 -0.0214 0.0136 -0.0131 112 THR E C 7653 C C B THR E 112 ? 0.1187 0.1115 0.0367 -0.0153 0.0131 -0.0046 112 THR E C 7654 O O A THR E 112 ? 0.0875 0.0992 0.0302 -0.0044 0.0092 -0.0114 112 THR E O 7655 O O B THR E 112 ? 0.1138 0.1114 0.0303 0.0025 0.0100 -0.0025 112 THR E O 7656 C CB A THR E 112 ? 0.1322 0.2305 0.0835 -0.0448 0.0215 -0.0074 112 THR E CB 7657 C CB B THR E 112 ? 0.1650 0.2238 0.0782 -0.0170 0.0159 0.0311 112 THR E CB 7658 O OG1 A THR E 112 ? 0.1513 0.2906 0.0993 -0.0231 0.0263 -0.0083 112 THR E OG1 7659 O OG1 B THR E 112 ? 0.1620 0.2488 0.0760 0.0061 -0.0001 0.0424 112 THR E OG1 7660 C CG2 A THR E 112 ? 0.0976 0.2094 0.0756 -0.0655 0.0125 -0.0058 112 THR E CG2 7661 C CG2 B THR E 112 ? 0.1715 0.2318 0.0936 -0.0302 0.0244 0.0530 112 THR E CG2 7662 N N . PRO E 113 ? 0.0919 0.0681 0.0272 -0.0121 0.0086 0.0013 113 PRO E N 7663 C CA . PRO E 113 ? 0.0825 0.0836 0.0236 0.0007 0.0092 0.0019 113 PRO E CA 7664 C C . PRO E 113 ? 0.0738 0.0711 0.0197 0.0053 0.0007 0.0030 113 PRO E C 7665 O O . PRO E 113 ? 0.0913 0.0913 0.0267 0.0011 -0.0084 0.0086 113 PRO E O 7666 C CB . PRO E 113 ? 0.0964 0.0995 0.0377 0.0025 0.0252 -0.0054 113 PRO E CB 7667 C CG . PRO E 113 ? 0.1214 0.0998 0.0419 -0.0038 0.0262 -0.0041 113 PRO E CG 7668 C CD . PRO E 113 ? 0.1127 0.0818 0.0372 -0.0243 0.0119 -0.0121 113 PRO E CD 7669 N N . LEU E 114 ? 0.0784 0.0707 0.0241 -0.0050 0.0028 0.0105 114 LEU E N 7670 C CA . LEU E 114 ? 0.0636 0.0677 0.0206 0.0003 0.0104 -0.0042 114 LEU E CA 7671 C C . LEU E 114 ? 0.0602 0.0579 0.0249 0.0100 0.0109 -0.0085 114 LEU E C 7672 O O . LEU E 114 ? 0.0735 0.0719 0.0389 0.0124 0.0205 -0.0137 114 LEU E O 7673 C CB . LEU E 114 ? 0.0803 0.0808 0.0415 0.0097 0.0261 -0.0100 114 LEU E CB 7674 C CG . LEU E 114 ? 0.1132 0.1128 0.0623 0.0067 0.0386 -0.0214 114 LEU E CG 7675 C CD1 . LEU E 114 ? 0.1139 0.0859 0.0457 0.0027 0.0236 -0.0188 114 LEU E CD1 7676 C CD2 . LEU E 114 ? 0.1191 0.1335 0.0883 0.0131 0.0483 -0.0314 114 LEU E CD2 7677 N N . VAL E 115 ? 0.0691 0.0663 0.0248 0.0028 0.0151 0.0011 115 VAL E N 7678 C CA . VAL E 115 ? 0.0706 0.0621 0.0293 0.0195 0.0143 -0.0007 115 VAL E CA 7679 C C . VAL E 115 ? 0.0805 0.0541 0.0227 0.0099 0.0008 -0.0030 115 VAL E C 7680 O O . VAL E 115 ? 0.0951 0.0623 0.0272 0.0112 -0.0070 -0.0040 115 VAL E O 7681 C CB . VAL E 115 ? 0.0811 0.0675 0.0247 0.0131 0.0067 0.0023 115 VAL E CB 7682 C CG1 . VAL E 115 ? 0.0813 0.0855 0.0322 0.0019 0.0047 0.0050 115 VAL E CG1 7683 C CG2 . VAL E 115 ? 0.0827 0.0826 0.0261 0.0114 0.0078 -0.0002 115 VAL E CG2 7684 N N . LYS E 116 ? 0.0794 0.0719 0.0267 0.0231 0.0049 0.0020 116 LYS E N 7685 C CA . LYS E 116 ? 0.0790 0.0846 0.0387 0.0232 -0.0025 0.0075 116 LYS E CA 7686 C C . LYS E 116 ? 0.0798 0.1002 0.0318 0.0008 -0.0031 0.0173 116 LYS E C 7687 O O . LYS E 116 ? 0.0855 0.1488 0.0458 -0.0080 -0.0030 0.0244 116 LYS E O 7688 C CB . LYS E 116 ? 0.0896 0.1111 0.0523 0.0140 0.0080 -0.0005 116 LYS E CB 7689 C CG . LYS E 116 ? 0.1116 0.1176 0.0853 0.0387 0.0091 0.0040 116 LYS E CG 7690 C CD . LYS E 116 ? 0.1326 0.1116 0.1108 0.0520 0.0296 -0.0001 116 LYS E CD 7691 C CE . LYS E 116 ? 0.1497 0.1470 0.1419 0.0289 0.0437 -0.0025 116 LYS E CE 7692 N NZ . LYS E 116 ? 0.1720 0.1681 0.1497 -0.0180 0.0536 -0.0107 116 LYS E NZ 7693 N N . LYS E 117 ? 0.0675 0.0923 0.0288 0.0134 0.0081 0.0061 117 LYS E N 7694 C CA . LYS E 117 ? 0.0724 0.0956 0.0411 0.0115 0.0191 0.0117 117 LYS E CA 7695 C C . LYS E 117 ? 0.0777 0.0840 0.0488 0.0058 0.0113 0.0327 117 LYS E C 7696 O O . LYS E 117 ? 0.0867 0.1474 0.1032 0.0188 0.0196 0.0687 117 LYS E O 7697 C CB . LYS E 117 ? 0.0891 0.1337 0.0516 0.0135 0.0153 -0.0007 117 LYS E CB 7698 C CG . LYS E 117 ? 0.0875 0.1401 0.0513 0.0141 0.0233 0.0181 117 LYS E CG 7699 C CD . LYS E 117 ? 0.1069 0.1445 0.0507 0.0109 0.0236 0.0183 117 LYS E CD 7700 C CE . LYS E 117 ? 0.1230 0.1611 0.0566 0.0214 0.0302 0.0016 117 LYS E CE 7701 N NZ . LYS E 117 ? 0.1394 0.1757 0.0557 0.0205 0.0165 -0.0204 117 LYS E NZ 7702 N N . GLY E 118 ? 0.0808 0.1000 0.0408 0.0096 -0.0098 0.0068 118 GLY E N 7703 C CA . GLY E 118 ? 0.0808 0.1009 0.0370 0.0036 -0.0030 0.0228 118 GLY E CA 7704 C C . GLY E 118 ? 0.0815 0.1069 0.0378 0.0016 0.0116 0.0049 118 GLY E C 7705 O O . GLY E 118 ? 0.0892 0.1247 0.0553 0.0172 0.0044 0.0039 118 GLY E O 7706 N N . LEU E 119 ? 0.0723 0.0641 0.0369 -0.0093 0.0073 -0.0020 119 LEU E N 7707 C CA . LEU E 119 ? 0.0750 0.0806 0.0432 -0.0157 0.0016 0.0046 119 LEU E CA 7708 C C . LEU E 119 ? 0.0615 0.0887 0.0417 -0.0147 -0.0004 0.0115 119 LEU E C 7709 O O . LEU E 119 ? 0.0592 0.1005 0.0494 -0.0079 0.0043 -0.0021 119 LEU E O 7710 C CB . LEU E 119 ? 0.0779 0.0676 0.0464 -0.0119 0.0072 -0.0070 119 LEU E CB 7711 C CG . LEU E 119 ? 0.0681 0.0858 0.0534 0.0014 0.0023 -0.0021 119 LEU E CG 7712 C CD1 . LEU E 119 ? 0.0716 0.1050 0.0443 -0.0063 0.0006 -0.0026 119 LEU E CD1 7713 C CD2 . LEU E 119 ? 0.0630 0.0750 0.0594 0.0158 0.0165 -0.0069 119 LEU E CD2 7714 N N . ARG E 120 ? 0.0724 0.0785 0.0336 -0.0212 -0.0001 0.0149 120 ARG E N 7715 C CA . ARG E 120 ? 0.0750 0.0871 0.0280 -0.0103 0.0000 0.0130 120 ARG E CA 7716 C C . ARG E 120 ? 0.0765 0.0848 0.0270 -0.0034 -0.0059 0.0021 120 ARG E C 7717 O O . ARG E 120 ? 0.0759 0.1050 0.0339 0.0112 0.0075 0.0058 120 ARG E O 7718 C CB . ARG E 120 ? 0.0788 0.0878 0.0408 -0.0038 0.0121 0.0131 120 ARG E CB 7719 C CG . ARG E 120 ? 0.0776 0.0999 0.0489 -0.0054 0.0055 0.0096 120 ARG E CG 7720 C CD . ARG E 120 ? 0.1039 0.1296 0.0784 0.0015 0.0051 -0.0013 120 ARG E CD 7721 N NE . ARG E 120 ? 0.1090 0.1291 0.0812 -0.0050 0.0137 0.0108 120 ARG E NE 7722 C CZ . ARG E 120 ? 0.1117 0.1229 0.1077 -0.0169 0.0305 -0.0049 120 ARG E CZ 7723 N NH1 . ARG E 120 ? 0.1099 0.1618 0.1251 -0.0274 0.0391 -0.0277 120 ARG E NH1 7724 N NH2 . ARG E 120 ? 0.1281 0.1619 0.1367 -0.0027 0.0235 -0.0099 120 ARG E NH2 7725 N N . GLN E 121 ? 0.0776 0.0729 0.0365 -0.0039 0.0046 -0.0039 121 GLN E N 7726 C CA . GLN E 121 ? 0.0737 0.0827 0.0346 -0.0022 0.0071 -0.0009 121 GLN E CA 7727 C C . GLN E 121 ? 0.0705 0.1042 0.0449 -0.0035 0.0261 0.0072 121 GLN E C 7728 O O . GLN E 121 ? 0.0826 0.1176 0.0713 -0.0110 0.0378 0.0201 121 GLN E O 7729 C CB . GLN E 121 ? 0.1014 0.0718 0.0493 -0.0032 0.0004 0.0000 121 GLN E CB 7730 C CG . GLN E 121 ? 0.1009 0.0949 0.0651 -0.0007 0.0159 0.0050 121 GLN E CG 7731 C CD . GLN E 121 ? 0.1289 0.1050 0.0619 -0.0076 0.0353 0.0170 121 GLN E CD 7732 O OE1 . GLN E 121 ? 0.1628 0.1302 0.0670 0.0010 0.0345 0.0291 121 GLN E OE1 7733 N NE2 . GLN E 121 ? 0.1334 0.1513 0.0629 -0.0125 0.0428 0.0024 121 GLN E NE2 7734 N N . GLY E 122 ? 0.0690 0.1035 0.0462 0.0037 0.0209 0.0002 122 GLY E N 7735 C CA . GLY E 122 ? 0.0767 0.1252 0.0415 0.0127 0.0171 0.0115 122 GLY E CA 7736 C C . GLY E 122 ? 0.0679 0.1065 0.0458 0.0088 0.0108 0.0178 122 GLY E C 7737 O O . GLY E 122 ? 0.0881 0.1503 0.0703 0.0231 0.0189 0.0161 122 GLY E O 7738 N N . TYR E 123 ? 0.0798 0.1018 0.0512 -0.0126 0.0106 -0.0003 123 TYR E N 7739 C CA . TYR E 123 ? 0.0796 0.0897 0.0527 -0.0029 -0.0004 0.0017 123 TYR E CA 7740 C C . TYR E 123 ? 0.0857 0.1064 0.0578 -0.0049 0.0139 0.0071 123 TYR E C 7741 O O . TYR E 123 ? 0.0871 0.1044 0.0645 -0.0116 0.0200 0.0170 123 TYR E O 7742 C CB . TYR E 123 ? 0.0848 0.1001 0.0600 0.0214 0.0002 -0.0037 123 TYR E CB 7743 C CG . TYR E 123 ? 0.0744 0.0982 0.0527 0.0041 0.0029 -0.0032 123 TYR E CG 7744 C CD1 . TYR E 123 ? 0.0762 0.1296 0.0519 -0.0133 0.0155 -0.0151 123 TYR E CD1 7745 C CD2 . TYR E 123 ? 0.0675 0.0955 0.0550 -0.0085 -0.0013 0.0015 123 TYR E CD2 7746 C CE1 . TYR E 123 ? 0.0906 0.1355 0.0615 -0.0404 0.0283 -0.0254 123 TYR E CE1 7747 C CE2 . TYR E 123 ? 0.0790 0.1231 0.0480 -0.0156 0.0130 -0.0077 123 TYR E CE2 7748 C CZ . TYR E 123 ? 0.0867 0.1212 0.0591 -0.0305 0.0237 -0.0350 123 TYR E CZ 7749 O OH . TYR E 123 ? 0.1349 0.1507 0.0677 -0.0413 0.0279 -0.0271 123 TYR E OH 7750 N N . PHE E 124 ? 0.0858 0.1234 0.0652 -0.0103 0.0061 0.0104 124 PHE E N 7751 C CA . PHE E 124 ? 0.1199 0.1262 0.0795 0.0019 0.0176 0.0046 124 PHE E CA 7752 C C . PHE E 124 ? 0.1113 0.1283 0.0628 0.0022 0.0146 0.0010 124 PHE E C 7753 O O . PHE E 124 ? 0.1167 0.1598 0.0728 -0.0174 0.0029 -0.0184 124 PHE E O 7754 C CB . PHE E 124 ? 0.1605 0.1554 0.1042 0.0176 0.0232 0.0219 124 PHE E CB 7755 C CG . PHE E 124 ? 0.1811 0.1722 0.1370 0.0322 0.0244 0.0415 124 PHE E CG 7756 C CD1 . PHE E 124 ? 0.1829 0.1941 0.1502 0.0351 0.0337 0.0299 124 PHE E CD1 7757 C CD2 . PHE E 124 ? 0.2064 0.1958 0.1649 0.0323 0.0434 0.0385 124 PHE E CD2 7758 C CE1 . PHE E 124 ? 0.2040 0.2246 0.1647 0.0276 0.0436 0.0277 124 PHE E CE1 7759 C CE2 . PHE E 124 ? 0.2193 0.2124 0.1729 0.0337 0.0403 0.0216 124 PHE E CE2 7760 C CZ . PHE E 124 ? 0.2163 0.2313 0.1780 0.0435 0.0418 0.0198 124 PHE E CZ 7761 N N . VAL E 125 ? 0.1088 0.1314 0.0530 0.0015 0.0172 -0.0059 125 VAL E N 7762 C CA . VAL E 125 ? 0.1023 0.1454 0.0569 -0.0015 0.0139 -0.0072 125 VAL E CA 7763 C C . VAL E 125 ? 0.1051 0.1622 0.0667 0.0027 0.0117 0.0043 125 VAL E C 7764 O O . VAL E 125 ? 0.1181 0.1550 0.0734 0.0003 -0.0069 -0.0014 125 VAL E O 7765 C CB . VAL E 125 ? 0.1007 0.1662 0.0582 0.0146 0.0095 -0.0061 125 VAL E CB 7766 C CG1 . VAL E 125 ? 0.0988 0.1560 0.0609 0.0200 0.0148 -0.0320 125 VAL E CG1 7767 C CG2 . VAL E 125 ? 0.1234 0.2006 0.0623 0.0098 -0.0060 -0.0055 125 VAL E CG2 7768 N N . GLU E 126 ? 0.0915 0.1665 0.0538 0.0093 -0.0007 -0.0083 126 GLU E N 7769 C CA . GLU E 126 ? 0.1133 0.1929 0.0682 0.0216 -0.0084 -0.0203 126 GLU E CA 7770 C C . GLU E 126 ? 0.1177 0.2156 0.0744 0.0329 -0.0022 -0.0072 126 GLU E C 7771 O O . GLU E 126 ? 0.1016 0.2029 0.0667 0.0396 0.0006 -0.0192 126 GLU E O 7772 C CB . GLU E 126 ? 0.1401 0.2210 0.1040 0.0170 -0.0284 -0.0285 126 GLU E CB 7773 C CG . GLU E 126 ? 0.1894 0.2892 0.1522 0.0053 -0.0082 -0.0128 126 GLU E CG 7774 C CD . GLU E 126 ? 0.2335 0.3708 0.2063 -0.0019 0.0179 0.0186 126 GLU E CD 7775 O OE1 . GLU E 126 ? 0.2512 0.3962 0.2284 0.0044 0.0287 0.0507 126 GLU E OE1 7776 O OE2 . GLU E 126 ? 0.2574 0.4199 0.2336 -0.0106 0.0277 0.0104 126 GLU E OE2 7777 N N . ALA E 127 ? 0.1553 0.2458 0.0794 0.0558 0.0017 0.0209 127 ALA E N 7778 C CA . ALA E 127 ? 0.1834 0.2607 0.0991 0.0860 0.0174 0.0103 127 ALA E CA 7779 C C . ALA E 127 ? 0.1818 0.2732 0.0970 0.0634 0.0046 0.0045 127 ALA E C 7780 O O . ALA E 127 ? 0.1806 0.2875 0.0828 0.0644 0.0131 0.0089 127 ALA E O 7781 C CB . ALA E 127 ? 0.2243 0.2598 0.1011 0.1062 0.0174 0.0004 127 ALA E CB 7782 N N . GLN E 128 ? 0.1638 0.2562 0.1013 0.0765 -0.0072 -0.0002 128 GLN E N 7783 C CA . GLN E 128 ? 0.1517 0.2557 0.1134 0.0595 -0.0174 -0.0156 128 GLN E CA 7784 C C . GLN E 128 ? 0.1150 0.2265 0.0877 0.0287 -0.0033 -0.0314 128 GLN E C 7785 O O . GLN E 128 ? 0.1055 0.2355 0.0807 0.0193 -0.0010 -0.0410 128 GLN E O 7786 C CB . GLN E 128 ? 0.1823 0.3127 0.1680 0.0648 -0.0303 -0.0093 128 GLN E CB 7787 C CG . GLN E 128 ? 0.2432 0.3700 0.2367 0.0604 -0.0241 -0.0201 128 GLN E CG 7788 C CD . GLN E 128 ? 0.3184 0.4392 0.3112 0.0665 0.0031 -0.0396 128 GLN E CD 7789 O OE1 . GLN E 128 ? 0.3573 0.4733 0.3467 0.0585 0.0125 -0.0435 128 GLN E OE1 7790 N NE2 . GLN E 128 ? 0.3453 0.4632 0.3346 0.0602 0.0118 -0.0384 128 GLN E NE2 7791 N N . PRO E 129 ? 0.1086 0.2094 0.0794 0.0116 0.0066 -0.0185 129 PRO E N 7792 C CA . PRO E 129 ? 0.1075 0.1834 0.0747 0.0071 0.0023 -0.0124 129 PRO E CA 7793 C C . PRO E 129 ? 0.1107 0.1784 0.0738 0.0116 0.0113 -0.0019 129 PRO E C 7794 O O . PRO E 129 ? 0.1356 0.2153 0.0924 0.0342 0.0137 -0.0015 129 PRO E O 7795 C CB . PRO E 129 ? 0.1139 0.1977 0.0633 0.0142 -0.0023 -0.0129 129 PRO E CB 7796 C CG . PRO E 129 ? 0.1165 0.2043 0.0851 0.0124 -0.0018 -0.0138 129 PRO E CG 7797 C CD . PRO E 129 ? 0.1181 0.2005 0.0931 0.0154 0.0017 -0.0173 129 PRO E CD 7798 N N . LYS E 130 ? 0.0823 0.1543 0.0724 -0.0157 0.0083 -0.0084 130 LYS E N 7799 C CA . LYS E 130 ? 0.0831 0.1560 0.0667 -0.0138 0.0053 -0.0074 130 LYS E CA 7800 C C . LYS E 130 ? 0.0716 0.1308 0.0438 -0.0169 0.0091 0.0033 130 LYS E C 7801 O O . LYS E 130 ? 0.0744 0.1350 0.0507 -0.0295 0.0159 0.0047 130 LYS E O 7802 C CB . LYS E 130 ? 0.1091 0.1921 0.0958 -0.0171 -0.0119 -0.0231 130 LYS E CB 7803 C CG . LYS E 130 ? 0.1562 0.2489 0.1406 -0.0257 -0.0233 -0.0351 130 LYS E CG 7804 C CD . LYS E 130 ? 0.2075 0.3281 0.1720 -0.0129 -0.0476 -0.0187 130 LYS E CD 7805 C CE . LYS E 130 ? 0.2547 0.3856 0.1867 -0.0027 -0.0487 0.0042 130 LYS E CE 7806 N NZ . LYS E 130 ? 0.2913 0.4129 0.2142 -0.0066 -0.0439 0.0240 130 LYS E NZ 7807 N N . ILE E 131 ? 0.0766 0.1238 0.0431 -0.0072 0.0122 -0.0012 131 ILE E N 7808 C CA . ILE E 131 ? 0.0740 0.0883 0.0355 -0.0168 0.0123 0.0139 131 ILE E CA 7809 C C . ILE E 131 ? 0.0740 0.0831 0.0372 -0.0179 0.0096 0.0180 131 ILE E C 7810 O O . ILE E 131 ? 0.0959 0.0953 0.0400 0.0000 0.0225 0.0169 131 ILE E O 7811 C CB . ILE E 131 ? 0.0857 0.1065 0.0513 -0.0055 0.0206 0.0077 131 ILE E CB 7812 C CG1 . ILE E 131 ? 0.1093 0.1167 0.0732 0.0104 0.0275 0.0200 131 ILE E CG1 7813 C CG2 . ILE E 131 ? 0.0926 0.1216 0.0628 -0.0125 0.0148 -0.0043 131 ILE E CG2 7814 C CD1 . ILE E 131 ? 0.1172 0.1143 0.1005 0.0235 0.0296 0.0042 131 ILE E CD1 7815 N N . VAL E 132 ? 0.0698 0.0732 0.0381 -0.0026 0.0230 0.0125 132 VAL E N 7816 C CA . VAL E 132 ? 0.0827 0.0874 0.0430 -0.0059 0.0200 -0.0002 132 VAL E CA 7817 C C . VAL E 132 ? 0.0691 0.0665 0.0330 -0.0067 0.0198 0.0103 132 VAL E C 7818 O O . VAL E 132 ? 0.0878 0.0990 0.0343 0.0021 0.0213 0.0046 132 VAL E O 7819 C CB . VAL E 132 ? 0.1025 0.0889 0.0530 -0.0198 0.0232 -0.0173 132 VAL E CB 7820 C CG1 . VAL E 132 ? 0.1130 0.0882 0.0655 -0.0328 0.0318 -0.0175 132 VAL E CG1 7821 C CG2 . VAL E 132 ? 0.1066 0.0939 0.0583 -0.0195 0.0138 -0.0213 132 VAL E CG2 7822 N N . LEU E 133 ? 0.0734 0.0790 0.0420 -0.0071 0.0229 0.0181 133 LEU E N 7823 C CA . LEU E 133 ? 0.0844 0.0728 0.0419 -0.0108 0.0110 0.0083 133 LEU E CA 7824 C C . LEU E 133 ? 0.0809 0.0790 0.0417 -0.0162 0.0116 0.0054 133 LEU E C 7825 O O . LEU E 133 ? 0.0905 0.0815 0.0404 0.0057 0.0136 0.0079 133 LEU E O 7826 C CB . LEU E 133 ? 0.1000 0.0933 0.0407 -0.0053 0.0162 0.0054 133 LEU E CB 7827 C CG . LEU E 133 ? 0.1160 0.1004 0.0467 -0.0007 0.0265 0.0052 133 LEU E CG 7828 C CD1 . LEU E 133 ? 0.1247 0.0795 0.0765 -0.0012 0.0300 -0.0100 133 LEU E CD1 7829 C CD2 . LEU E 133 ? 0.1303 0.1263 0.0490 -0.0081 0.0256 0.0211 133 LEU E CD2 7830 N N . GLY E 134 ? 0.0747 0.0711 0.0436 -0.0135 0.0134 -0.0003 134 GLY E N 7831 C CA . GLY E 134 ? 0.0765 0.0714 0.0516 -0.0131 0.0242 -0.0045 134 GLY E CA 7832 C C . GLY E 134 ? 0.0800 0.0644 0.0569 -0.0137 0.0240 -0.0159 134 GLY E C 7833 O O . GLY E 134 ? 0.0772 0.0636 0.0598 0.0043 0.0212 -0.0084 134 GLY E O 7834 N N . GLN E 135 ? 0.0900 0.0462 0.0610 -0.0263 0.0294 -0.0191 135 GLN E N 7835 C CA . GLN E 135 ? 0.0866 0.0444 0.0517 -0.0291 0.0212 -0.0130 135 GLN E CA 7836 C C . GLN E 135 ? 0.1007 0.0435 0.0558 -0.0112 0.0267 -0.0168 135 GLN E C 7837 O O . GLN E 135 ? 0.1033 0.0447 0.0627 -0.0111 0.0214 -0.0107 135 GLN E O 7838 C CB . GLN E 135 ? 0.0787 0.0642 0.0546 -0.0066 0.0174 -0.0138 135 GLN E CB 7839 C CG . GLN E 135 ? 0.0910 0.0754 0.0546 -0.0148 0.0237 -0.0094 135 GLN E CG 7840 C CD . GLN E 135 ? 0.1011 0.0648 0.0500 -0.0194 0.0301 -0.0068 135 GLN E CD 7841 O OE1 . GLN E 135 ? 0.1137 0.1031 0.0693 -0.0004 0.0489 0.0011 135 GLN E OE1 7842 N NE2 . GLN E 135 ? 0.1100 0.0757 0.0463 -0.0027 0.0218 -0.0210 135 GLN E NE2 7843 N N . GLU E 136 ? 0.0935 0.0757 0.0616 -0.0075 0.0291 -0.0137 136 GLU E N 7844 C CA . GLU E 136 ? 0.0756 0.0558 0.0647 -0.0147 0.0253 -0.0242 136 GLU E CA 7845 C C . GLU E 136 ? 0.0757 0.0594 0.0728 -0.0217 0.0193 -0.0223 136 GLU E C 7846 O O . GLU E 136 ? 0.0931 0.0800 0.0949 -0.0194 0.0251 -0.0390 136 GLU E O 7847 C CB . GLU E 136 ? 0.0802 0.0725 0.0741 -0.0215 0.0289 -0.0197 136 GLU E CB 7848 C CG . GLU E 136 ? 0.0934 0.0861 0.0717 -0.0227 0.0260 -0.0149 136 GLU E CG 7849 C CD . GLU E 136 ? 0.1074 0.0940 0.0634 -0.0301 0.0343 -0.0307 136 GLU E CD 7850 O OE1 . GLU E 136 ? 0.1107 0.0852 0.0702 -0.0273 0.0370 -0.0331 136 GLU E OE1 7851 O OE2 . GLU E 136 ? 0.0939 0.1163 0.0680 -0.0376 0.0363 -0.0264 136 GLU E OE2 7852 N N . GLN E 137 ? 0.0766 0.0582 0.0856 -0.0329 0.0195 -0.0222 137 GLN E N 7853 C CA . GLN E 137 ? 0.0844 0.0769 0.0795 -0.0230 0.0301 -0.0317 137 GLN E CA 7854 C C . GLN E 137 ? 0.0865 0.0692 0.0769 -0.0317 0.0269 -0.0352 137 GLN E C 7855 O O . GLN E 137 ? 0.1134 0.0767 0.0815 -0.0136 0.0290 -0.0204 137 GLN E O 7856 C CB . GLN E 137 ? 0.0972 0.0933 0.0865 -0.0155 0.0144 -0.0198 137 GLN E CB 7857 C CG . GLN E 137 ? 0.1006 0.1070 0.0869 -0.0238 0.0106 -0.0311 137 GLN E CG 7858 C CD . GLN E 137 ? 0.0971 0.1131 0.0846 -0.0171 -0.0066 -0.0199 137 GLN E CD 7859 O OE1 . GLN E 137 ? 0.1156 0.1147 0.0998 -0.0119 -0.0242 -0.0399 137 GLN E OE1 7860 N NE2 . GLN E 137 ? 0.0815 0.1083 0.0741 -0.0197 0.0071 -0.0145 137 GLN E NE2 7861 N N . ASP E 138 ? 0.0881 0.0894 0.0955 -0.0422 0.0387 -0.0447 138 ASP E N 7862 C CA . ASP E 138 ? 0.1129 0.1082 0.1087 -0.0518 0.0493 -0.0400 138 ASP E CA 7863 C C . ASP E 138 ? 0.1207 0.1468 0.1276 -0.0660 0.0335 -0.0329 138 ASP E C 7864 O O . ASP E 138 ? 0.1208 0.1973 0.1515 -0.0748 0.0248 -0.0137 138 ASP E O 7865 C CB . ASP E 138 ? 0.1230 0.0903 0.1156 -0.0492 0.0572 -0.0342 138 ASP E CB 7866 C CG . ASP E 138 ? 0.1137 0.0762 0.1254 -0.0264 0.0533 -0.0437 138 ASP E CG 7867 O OD1 . ASP E 138 ? 0.1168 0.0825 0.1126 -0.0207 0.0362 -0.0491 138 ASP E OD1 7868 O OD2 . ASP E 138 ? 0.1324 0.0844 0.1593 -0.0096 0.0513 -0.0273 138 ASP E OD2 7869 N N . SER E 139 ? 0.1302 0.1637 0.1243 -0.0730 0.0256 -0.0469 139 SER E N 7870 C CA . SER E 139 ? 0.1173 0.1772 0.1037 -0.0641 0.0149 -0.0546 139 SER E CA 7871 C C . SER E 139 ? 0.1129 0.1923 0.1069 -0.0538 0.0048 -0.0363 139 SER E C 7872 O O . SER E 139 ? 0.1138 0.1985 0.1160 -0.0507 -0.0083 -0.0186 139 SER E O 7873 C CB . SER E 139 ? 0.1228 0.2163 0.1159 -0.0566 0.0164 -0.0636 139 SER E CB 7874 O OG . SER E 139 ? 0.1266 0.2701 0.1105 -0.0362 0.0186 -0.0613 139 SER E OG 7875 N N . TYR E 140 ? 0.1115 0.1984 0.0972 -0.0646 0.0003 -0.0429 140 TYR E N 7876 C CA . TYR E 140 ? 0.1168 0.2203 0.1059 -0.0605 0.0016 -0.0449 140 TYR E CA 7877 C C . TYR E 140 ? 0.1448 0.2443 0.0978 -0.0565 -0.0023 -0.0356 140 TYR E C 7878 O O . TYR E 140 ? 0.1694 0.3028 0.1094 -0.0412 -0.0046 -0.0320 140 TYR E O 7879 C CB . TYR E 140 ? 0.1195 0.2259 0.1100 -0.0514 -0.0201 -0.0455 140 TYR E CB 7880 C CG . TYR E 140 ? 0.1327 0.2364 0.1130 -0.0458 -0.0203 -0.0338 140 TYR E CG 7881 C CD1 . TYR E 140 ? 0.1299 0.2225 0.1082 -0.0434 -0.0069 -0.0254 140 TYR E CD1 7882 C CD2 . TYR E 140 ? 0.1603 0.2453 0.1267 -0.0479 -0.0259 -0.0429 140 TYR E CD2 7883 C CE1 . TYR E 140 ? 0.1424 0.2258 0.1037 -0.0439 0.0027 -0.0329 140 TYR E CE1 7884 C CE2 . TYR E 140 ? 0.1708 0.2441 0.1253 -0.0295 -0.0283 -0.0408 140 TYR E CE2 7885 C CZ . TYR E 140 ? 0.1632 0.2380 0.1135 -0.0251 -0.0082 -0.0377 140 TYR E CZ 7886 O OH . TYR E 140 ? 0.1803 0.2592 0.1226 -0.0049 0.0030 -0.0393 140 TYR E OH 7887 N N . GLY E 141 ? 0.1328 0.2363 0.0914 -0.0506 0.0005 -0.0238 141 GLY E N 7888 C CA . GLY E 141 ? 0.1303 0.2528 0.0995 -0.0729 0.0009 -0.0239 141 GLY E CA 7889 C C . GLY E 141 ? 0.1443 0.2864 0.1116 -0.0418 0.0062 -0.0003 141 GLY E C 7890 O O . GLY E 141 ? 0.1550 0.3331 0.1383 -0.0160 0.0271 0.0384 141 GLY E O 7891 N N . GLY E 142 ? 0.1377 0.2496 0.1008 -0.0372 -0.0002 -0.0262 142 GLY E N 7892 C CA . GLY E 142 ? 0.1415 0.2458 0.0997 -0.0389 0.0021 -0.0431 142 GLY E CA 7893 C C . GLY E 142 ? 0.1404 0.2174 0.0940 -0.0438 0.0118 -0.0581 142 GLY E C 7894 O O . GLY E 142 ? 0.1207 0.1929 0.0811 -0.0628 0.0238 -0.0484 142 GLY E O 7895 N N . LYS E 143 ? 0.1474 0.2083 0.1031 -0.0591 0.0207 -0.0672 143 LYS E N 7896 C CA . LYS E 143 ? 0.1505 0.1966 0.1233 -0.0700 0.0256 -0.0708 143 LYS E CA 7897 C C . LYS E 143 ? 0.1360 0.1424 0.0993 -0.0550 0.0270 -0.0521 143 LYS E C 7898 O O . LYS E 143 ? 0.1349 0.1214 0.1030 -0.0625 0.0378 -0.0347 143 LYS E O 7899 C CB . LYS E 143 ? 0.1680 0.2535 0.1713 -0.0923 0.0117 -0.0719 143 LYS E CB 7900 C CG . LYS E 143 ? 0.2313 0.3130 0.2406 -0.0830 0.0191 -0.0537 143 LYS E CG 7901 C CD . LYS E 143 ? 0.2713 0.3707 0.2929 -0.0912 0.0322 -0.0476 143 LYS E CD 7902 C CE . LYS E 143 ? 0.3015 0.4104 0.3317 -0.1011 0.0386 -0.0354 143 LYS E CE 7903 N NZ . LYS E 143 ? 0.3232 0.4368 0.3533 -0.1031 0.0395 -0.0302 143 LYS E NZ 7904 N N . PHE E 144 ? 0.1190 0.1324 0.0860 -0.0447 0.0141 -0.0426 144 PHE E N 7905 C CA . PHE E 144 ? 0.1218 0.1059 0.0899 -0.0502 0.0246 -0.0444 144 PHE E CA 7906 C C . PHE E 144 ? 0.1220 0.0863 0.1033 -0.0435 0.0289 -0.0423 144 PHE E C 7907 O O . PHE E 144 ? 0.1415 0.1191 0.1333 -0.0388 0.0161 -0.0321 144 PHE E O 7908 C CB . PHE E 144 ? 0.1341 0.1103 0.0805 -0.0470 0.0203 -0.0426 144 PHE E CB 7909 C CG . PHE E 144 ? 0.1363 0.1174 0.0835 -0.0480 0.0191 -0.0302 144 PHE E CG 7910 C CD1 . PHE E 144 ? 0.1309 0.1107 0.0905 -0.0257 0.0280 -0.0077 144 PHE E CD1 7911 C CD2 . PHE E 144 ? 0.1521 0.1467 0.0912 -0.0210 0.0186 -0.0229 144 PHE E CD2 7912 C CE1 . PHE E 144 ? 0.1395 0.1106 0.0990 -0.0152 0.0243 -0.0189 144 PHE E CE1 7913 C CE2 . PHE E 144 ? 0.1490 0.1465 0.1066 -0.0195 0.0222 -0.0240 144 PHE E CE2 7914 C CZ . PHE E 144 ? 0.1326 0.1378 0.1150 -0.0197 0.0401 -0.0083 144 PHE E CZ 7915 N N . ASP E 145 ? 0.1271 0.0697 0.1169 -0.0207 0.0297 -0.0428 145 ASP E N 7916 C CA . ASP E 145 ? 0.1345 0.0760 0.1095 -0.0097 0.0221 -0.0431 145 ASP E CA 7917 C C . ASP E 145 ? 0.1117 0.0603 0.0817 -0.0125 0.0191 -0.0348 145 ASP E C 7918 O O . ASP E 145 ? 0.1277 0.0598 0.0971 -0.0008 0.0241 -0.0345 145 ASP E O 7919 C CB . ASP E 145 ? 0.1454 0.0793 0.1223 0.0052 0.0381 -0.0141 145 ASP E CB 7920 C CG . ASP E 145 ? 0.1735 0.0969 0.1377 -0.0114 0.0449 -0.0142 145 ASP E CG 7921 O OD1 . ASP E 145 ? 0.1801 0.0942 0.1536 -0.0099 0.0406 -0.0063 145 ASP E OD1 7922 O OD2 . ASP E 145 ? 0.1965 0.1238 0.1570 -0.0014 0.0434 -0.0070 145 ASP E OD2 7923 N N . ARG E 146 ? 0.1118 0.0743 0.0867 -0.0038 0.0200 -0.0430 146 ARG E N 7924 C CA . ARG E 146 ? 0.1166 0.0858 0.0774 0.0023 0.0178 -0.0440 146 ARG E CA 7925 C C . ARG E 146 ? 0.1003 0.0730 0.0721 -0.0018 0.0192 -0.0382 146 ARG E C 7926 O O . ARG E 146 ? 0.1144 0.0791 0.0826 -0.0109 0.0308 -0.0278 146 ARG E O 7927 C CB . ARG E 146 ? 0.1672 0.1074 0.0903 -0.0026 0.0110 -0.0534 146 ARG E CB 7928 C CG . ARG E 146 ? 0.1916 0.1075 0.0919 -0.0023 0.0042 -0.0465 146 ARG E CG 7929 C CD . ARG E 146 ? 0.2026 0.1033 0.0980 0.0224 0.0156 -0.0403 146 ARG E CD 7930 N NE . ARG E 146 ? 0.2250 0.0906 0.1030 0.0252 0.0270 -0.0271 146 ARG E NE 7931 C CZ . ARG E 146 ? 0.2470 0.0978 0.1225 0.0288 0.0429 -0.0275 146 ARG E CZ 7932 N NH1 . ARG E 146 ? 0.2720 0.1455 0.1263 0.0502 0.0481 -0.0348 146 ARG E NH1 7933 N NH2 . ARG E 146 ? 0.2600 0.0831 0.1364 0.0131 0.0715 -0.0076 146 ARG E NH2 7934 N N A SER E 147 ? 0.1052 0.0678 0.0736 -0.0058 0.0139 -0.0384 147 SER E N 7935 N N B SER E 147 ? 0.1127 0.0769 0.0739 0.0003 0.0175 -0.0401 147 SER E N 7936 C CA A SER E 147 ? 0.1043 0.0706 0.0898 -0.0034 0.0122 -0.0295 147 SER E CA 7937 C CA B SER E 147 ? 0.1218 0.0805 0.0784 0.0042 0.0183 -0.0400 147 SER E CA 7938 C C A SER E 147 ? 0.1028 0.0480 0.0761 -0.0265 0.0146 -0.0157 147 SER E C 7939 C C B SER E 147 ? 0.1189 0.0676 0.0727 -0.0058 0.0206 -0.0298 147 SER E C 7940 O O A SER E 147 ? 0.1080 0.0472 0.0880 -0.0320 0.0143 -0.0072 147 SER E O 7941 O O B SER E 147 ? 0.1226 0.0738 0.0745 0.0058 0.0270 -0.0276 147 SER E O 7942 C CB A SER E 147 ? 0.1370 0.0960 0.1166 0.0085 0.0253 -0.0264 147 SER E CB 7943 C CB B SER E 147 ? 0.1431 0.0946 0.0863 0.0131 0.0219 -0.0451 147 SER E CB 7944 O OG A SER E 147 ? 0.1630 0.1196 0.1455 0.0113 0.0321 -0.0136 147 SER E OG 7945 O OG B SER E 147 ? 0.1625 0.1032 0.0928 0.0153 0.0240 -0.0439 147 SER E OG 7946 N N . GLN E 148 ? 0.1159 0.0551 0.0706 -0.0208 0.0150 -0.0267 148 GLN E N 7947 C CA . GLN E 148 ? 0.1038 0.0552 0.0651 -0.0103 0.0185 -0.0217 148 GLN E CA 7948 C C . GLN E 148 ? 0.0936 0.0482 0.0598 -0.0068 0.0156 -0.0254 148 GLN E C 7949 O O . GLN E 148 ? 0.1063 0.0483 0.0657 -0.0011 0.0058 -0.0272 148 GLN E O 7950 C CB . GLN E 148 ? 0.1101 0.0544 0.0630 0.0058 0.0172 0.0005 148 GLN E CB 7951 C CG . GLN E 148 ? 0.1259 0.0912 0.0762 -0.0043 0.0207 0.0079 148 GLN E CG 7952 C CD . GLN E 148 ? 0.1271 0.1403 0.0838 -0.0146 0.0238 0.0117 148 GLN E CD 7953 O OE1 . GLN E 148 ? 0.1169 0.0990 0.0956 -0.0075 0.0295 0.0063 148 GLN E OE1 7954 N NE2 . GLN E 148 ? 0.1494 0.2370 0.1059 0.0012 0.0308 -0.0004 148 GLN E NE2 7955 N N . SER E 149 ? 0.1002 0.0468 0.0580 -0.0217 0.0215 -0.0198 149 SER E N 7956 C CA . SER E 149 ? 0.1110 0.0576 0.0508 -0.0245 0.0214 -0.0079 149 SER E CA 7957 C C . SER E 149 ? 0.1003 0.0528 0.0344 -0.0055 0.0167 -0.0079 149 SER E C 7958 O O . SER E 149 ? 0.1251 0.0589 0.0483 -0.0141 0.0089 -0.0104 149 SER E O 7959 C CB . SER E 149 ? 0.1091 0.0772 0.0600 -0.0209 0.0226 -0.0294 149 SER E CB 7960 O OG . SER E 149 ? 0.1244 0.0937 0.0571 -0.0337 0.0127 -0.0299 149 SER E OG 7961 N N . PHE E 150 ? 0.0929 0.0320 0.0421 -0.0146 0.0115 -0.0060 150 PHE E N 7962 C CA . PHE E 150 ? 0.0833 0.0410 0.0386 -0.0142 -0.0008 0.0118 150 PHE E CA 7963 C C . PHE E 150 ? 0.0802 0.0692 0.0303 -0.0084 0.0008 0.0181 150 PHE E C 7964 O O . PHE E 150 ? 0.0879 0.1262 0.0422 -0.0135 -0.0107 0.0223 150 PHE E O 7965 C CB . PHE E 150 ? 0.0869 0.0492 0.0415 -0.0244 0.0061 0.0083 150 PHE E CB 7966 C CG . PHE E 150 ? 0.0816 0.0478 0.0406 -0.0113 0.0207 -0.0054 150 PHE E CG 7967 C CD1 . PHE E 150 ? 0.0871 0.0748 0.0539 -0.0176 0.0355 -0.0115 150 PHE E CD1 7968 C CD2 . PHE E 150 ? 0.0921 0.0440 0.0441 -0.0062 0.0223 0.0107 150 PHE E CD2 7969 C CE1 . PHE E 150 ? 0.0949 0.0904 0.0598 -0.0117 0.0341 -0.0256 150 PHE E CE1 7970 C CE2 . PHE E 150 ? 0.1016 0.0756 0.0524 -0.0111 0.0337 -0.0057 150 PHE E CE2 7971 C CZ . PHE E 150 ? 0.1001 0.0812 0.0652 0.0039 0.0379 -0.0160 150 PHE E CZ 7972 N N . VAL E 151 ? 0.0749 0.0832 0.0284 -0.0038 0.0154 0.0077 151 VAL E N 7973 C CA . VAL E 151 ? 0.0812 0.0616 0.0373 0.0138 0.0102 0.0129 151 VAL E CA 7974 C C . VAL E 151 ? 0.0860 0.0619 0.0336 0.0199 0.0073 0.0115 151 VAL E C 7975 O O . VAL E 151 ? 0.1104 0.0668 0.0326 0.0027 -0.0081 0.0095 151 VAL E O 7976 C CB . VAL E 151 ? 0.1080 0.0534 0.0516 0.0042 0.0214 0.0018 151 VAL E CB 7977 C CG1 . VAL E 151 ? 0.1078 0.0724 0.0614 0.0152 0.0093 0.0070 151 VAL E CG1 7978 C CG2 . VAL E 151 ? 0.1376 0.0707 0.0616 0.0180 0.0177 -0.0053 151 VAL E CG2 7979 N N . GLY E 152 ? 0.0909 0.0467 0.0245 0.0011 -0.0041 0.0005 152 GLY E N 7980 C CA . GLY E 152 ? 0.0856 0.0572 0.0480 -0.0049 -0.0171 0.0026 152 GLY E CA 7981 C C . GLY E 152 ? 0.0810 0.0234 0.0347 -0.0009 -0.0077 0.0009 152 GLY E C 7982 O O . GLY E 152 ? 0.1088 0.0487 0.0421 0.0005 -0.0140 0.0005 152 GLY E O 7983 N N . GLU E 153 ? 0.0729 0.0333 0.0336 0.0111 -0.0009 -0.0119 153 GLU E N 7984 C CA . GLU E 153 ? 0.0575 0.0270 0.0256 0.0066 0.0022 -0.0092 153 GLU E CA 7985 C C . GLU E 153 ? 0.0711 0.0431 0.0278 0.0134 0.0162 0.0004 153 GLU E C 7986 O O . GLU E 153 ? 0.0766 0.0527 0.0308 0.0030 0.0160 -0.0105 153 GLU E O 7987 C CB . GLU E 153 ? 0.0642 0.0401 0.0356 0.0013 0.0177 0.0136 153 GLU E CB 7988 C CG . GLU E 153 ? 0.0794 0.0885 0.0457 -0.0049 0.0225 0.0225 153 GLU E CG 7989 C CD . GLU E 153 ? 0.1001 0.1062 0.0759 0.0211 0.0406 0.0314 153 GLU E CD 7990 O OE1 . GLU E 153 ? 0.1135 0.0785 0.1024 0.0082 0.0402 0.0190 153 GLU E OE1 7991 O OE2 . GLU E 153 ? 0.1073 0.1341 0.0894 0.0239 0.0414 0.0264 153 GLU E OE2 7992 N N . ILE E 154 ? 0.0746 0.0637 0.0315 0.0157 0.0158 -0.0061 154 ILE E N 7993 C CA . ILE E 154 ? 0.0858 0.0723 0.0423 0.0151 0.0167 -0.0189 154 ILE E CA 7994 C C . ILE E 154 ? 0.1079 0.0815 0.0419 0.0390 0.0146 -0.0011 154 ILE E C 7995 O O . ILE E 154 ? 0.1220 0.1090 0.0356 0.0186 0.0045 0.0033 154 ILE E O 7996 C CB . ILE E 154 ? 0.1113 0.1035 0.1057 -0.0142 0.0385 -0.0386 154 ILE E CB 7997 C CG1 . ILE E 154 ? 0.1186 0.1190 0.1622 -0.0181 0.0084 -0.0301 154 ILE E CG1 7998 C CG2 . ILE E 154 ? 0.1100 0.1297 0.1277 -0.0116 0.0266 -0.0515 154 ILE E CG2 7999 C CD1 . ILE E 154 ? 0.1282 0.1315 0.1952 -0.0145 -0.0068 -0.0394 154 ILE E CD1 8000 N N . GLY E 155 ? 0.1100 0.0675 0.0457 0.0464 0.0200 0.0151 155 GLY E N 8001 C CA . GLY E 155 ? 0.1292 0.0751 0.0557 0.0361 0.0335 0.0076 155 GLY E CA 8002 C C . GLY E 155 ? 0.1105 0.0665 0.0359 0.0211 0.0125 -0.0035 155 GLY E C 8003 O O . GLY E 155 ? 0.1117 0.0787 0.0340 0.0194 0.0113 0.0064 155 GLY E O 8004 N N . ASP E 156 ? 0.1020 0.0615 0.0286 0.0106 0.0078 0.0006 156 ASP E N 8005 C CA . ASP E 156 ? 0.0954 0.0692 0.0411 0.0172 0.0136 -0.0091 156 ASP E CA 8006 C C . ASP E 156 ? 0.0832 0.0589 0.0288 0.0021 0.0136 -0.0079 156 ASP E C 8007 O O . ASP E 156 ? 0.0813 0.0668 0.0269 0.0105 0.0118 -0.0044 156 ASP E O 8008 C CB . ASP E 156 ? 0.1207 0.0873 0.0662 0.0051 0.0176 -0.0128 156 ASP E CB 8009 C CG . ASP E 156 ? 0.1581 0.1777 0.0870 -0.0122 0.0130 0.0257 156 ASP E CG 8010 O OD1 . ASP E 156 ? 0.1990 0.1790 0.1340 -0.0474 -0.0100 0.0546 156 ASP E OD1 8011 O OD2 . ASP E 156 ? 0.1668 0.2271 0.0761 -0.0150 0.0159 0.0400 156 ASP E OD2 8012 N N . LEU E 157 ? 0.0746 0.0542 0.0305 0.0083 0.0002 0.0150 157 LEU E N 8013 C CA . LEU E 157 ? 0.0724 0.0454 0.0374 0.0075 -0.0043 0.0197 157 LEU E CA 8014 C C . LEU E 157 ? 0.0757 0.0474 0.0281 0.0027 0.0041 0.0141 157 LEU E C 8015 O O . LEU E 157 ? 0.0866 0.0735 0.0302 0.0066 0.0029 0.0172 157 LEU E O 8016 C CB . LEU E 157 ? 0.0887 0.0542 0.0583 0.0058 0.0011 0.0240 157 LEU E CB 8017 C CG . LEU E 157 ? 0.1118 0.0680 0.0843 0.0076 0.0056 0.0074 157 LEU E CG 8018 C CD1 . LEU E 157 ? 0.1362 0.0924 0.1157 0.0048 0.0090 0.0177 157 LEU E CD1 8019 C CD2 . LEU E 157 ? 0.1368 0.0778 0.0804 -0.0019 -0.0016 0.0109 157 LEU E CD2 8020 N N . TYR E 158 ? 0.0739 0.0478 0.0328 0.0094 0.0136 0.0153 158 TYR E N 8021 C CA . TYR E 158 ? 0.0689 0.0608 0.0365 0.0047 0.0035 0.0245 158 TYR E CA 8022 C C . TYR E 158 ? 0.0596 0.0597 0.0428 0.0208 0.0075 0.0242 158 TYR E C 8023 O O . TYR E 158 ? 0.0674 0.0594 0.0502 0.0170 0.0062 0.0283 158 TYR E O 8024 C CB . TYR E 158 ? 0.0826 0.0568 0.0311 -0.0021 0.0082 0.0159 158 TYR E CB 8025 C CG . TYR E 158 ? 0.0898 0.0648 0.0407 0.0035 0.0116 0.0234 158 TYR E CG 8026 C CD1 . TYR E 158 ? 0.0965 0.0665 0.0534 0.0010 0.0012 0.0336 158 TYR E CD1 8027 C CD2 . TYR E 158 ? 0.0880 0.0678 0.0514 0.0133 0.0099 0.0305 158 TYR E CD2 8028 C CE1 . TYR E 158 ? 0.1154 0.0802 0.0696 0.0088 0.0023 0.0254 158 TYR E CE1 8029 C CE2 . TYR E 158 ? 0.0984 0.0590 0.0565 0.0020 0.0072 0.0257 158 TYR E CE2 8030 C CZ . TYR E 158 ? 0.1097 0.0574 0.0760 -0.0122 0.0181 0.0286 158 TYR E CZ 8031 O OH . TYR E 158 ? 0.1443 0.0980 0.0789 -0.0286 0.0187 0.0361 158 TYR E OH 8032 N N . MET E 159 ? 0.0675 0.0764 0.0438 0.0227 0.0043 0.0263 159 MET E N 8033 C CA . MET E 159 ? 0.0597 0.0677 0.0437 0.0127 -0.0022 0.0189 159 MET E CA 8034 C C . MET E 159 ? 0.0639 0.0623 0.0380 0.0218 0.0088 0.0218 159 MET E C 8035 O O . MET E 159 ? 0.0825 0.0726 0.0467 0.0325 0.0050 0.0219 159 MET E O 8036 C CB . MET E 159 ? 0.0795 0.0613 0.0603 0.0092 0.0080 0.0309 159 MET E CB 8037 C CG . MET E 159 ? 0.0999 0.0708 0.0630 -0.0025 0.0199 0.0123 159 MET E CG 8038 S SD . MET E 159 ? 0.1681 0.0992 0.0974 -0.0037 0.0387 0.0025 159 MET E SD 8039 C CE . MET E 159 ? 0.1812 0.1003 0.0927 -0.0299 0.0326 0.0242 159 MET E CE 8040 N N . TRP E 160 ? 0.0779 0.0743 0.0399 0.0328 0.0080 0.0077 160 TRP E N 8041 C CA . TRP E 160 ? 0.0793 0.0697 0.0491 0.0415 0.0137 0.0056 160 TRP E CA 8042 C C . TRP E 160 ? 0.0692 0.0792 0.0547 0.0360 0.0096 0.0257 160 TRP E C 8043 O O . TRP E 160 ? 0.0732 0.0990 0.0690 0.0381 0.0078 0.0344 160 TRP E O 8044 C CB . TRP E 160 ? 0.0923 0.0436 0.0594 0.0267 0.0212 0.0100 160 TRP E CB 8045 C CG . TRP E 160 ? 0.1038 0.0646 0.0559 0.0067 0.0253 0.0078 160 TRP E CG 8046 C CD1 . TRP E 160 ? 0.1145 0.0450 0.0591 -0.0043 0.0244 0.0051 160 TRP E CD1 8047 C CD2 . TRP E 160 ? 0.1057 0.0638 0.0459 0.0069 0.0176 0.0109 160 TRP E CD2 8048 N NE1 . TRP E 160 ? 0.1231 0.0560 0.0657 0.0211 0.0137 0.0202 160 TRP E NE1 8049 C CE2 . TRP E 160 ? 0.1224 0.0583 0.0551 0.0154 0.0167 0.0197 160 TRP E CE2 8050 C CE3 . TRP E 160 ? 0.0967 0.0777 0.0416 0.0132 0.0225 0.0178 160 TRP E CE3 8051 C CZ2 . TRP E 160 ? 0.1153 0.0602 0.0466 0.0142 0.0270 0.0036 160 TRP E CZ2 8052 C CZ3 . TRP E 160 ? 0.1104 0.0756 0.0443 0.0149 0.0294 0.0020 160 TRP E CZ3 8053 C CH2 . TRP E 160 ? 0.1077 0.0759 0.0552 0.0151 0.0365 -0.0041 160 TRP E CH2 8054 N N . ASP E 161 ? 0.0742 0.0990 0.0741 0.0440 0.0162 0.0326 161 ASP E N 8055 C CA . ASP E 161 ? 0.0840 0.1453 0.0801 0.0540 0.0123 0.0377 161 ASP E CA 8056 C C . ASP E 161 ? 0.0971 0.1623 0.0877 0.0480 0.0257 0.0172 161 ASP E C 8057 O O . ASP E 161 ? 0.0924 0.2185 0.0989 0.0378 0.0159 0.0011 161 ASP E O 8058 C CB . ASP E 161 ? 0.1157 0.1826 0.1135 0.0647 0.0054 0.0538 161 ASP E CB 8059 C CG . ASP E 161 ? 0.1509 0.2406 0.1603 0.0830 -0.0028 0.0687 161 ASP E CG 8060 O OD1 . ASP E 161 ? 0.1778 0.2362 0.1624 0.0972 0.0107 0.0728 161 ASP E OD1 8061 O OD2 . ASP E 161 ? 0.1747 0.3134 0.2068 0.0892 -0.0165 0.0714 161 ASP E OD2 8062 N N . SER E 162 ? 0.0974 0.1316 0.0710 0.0298 0.0297 -0.0003 162 SER E N 8063 C CA . SER E 162 ? 0.1148 0.1058 0.0893 0.0480 0.0295 0.0038 162 SER E CA 8064 C C . SER E 162 ? 0.1064 0.0891 0.0668 0.0304 0.0274 0.0097 162 SER E C 8065 O O . SER E 162 ? 0.1115 0.0998 0.0676 0.0221 0.0142 -0.0009 162 SER E O 8066 C CB . SER E 162 ? 0.1494 0.1120 0.1334 0.0627 0.0111 0.0094 162 SER E CB 8067 O OG . SER E 162 ? 0.1936 0.1301 0.1695 0.0577 0.0050 0.0129 162 SER E OG 8068 N N . VAL E 163 ? 0.1053 0.0964 0.0673 0.0373 0.0140 0.0001 163 VAL E N 8069 C CA . VAL E 163 ? 0.1215 0.0800 0.0738 0.0294 0.0227 -0.0072 163 VAL E CA 8070 C C . VAL E 163 ? 0.1307 0.0936 0.0926 0.0171 0.0294 -0.0261 163 VAL E C 8071 O O . VAL E 163 ? 0.1566 0.1343 0.1096 0.0205 0.0402 -0.0234 163 VAL E O 8072 C CB . VAL E 163 ? 0.1289 0.1128 0.0697 0.0128 0.0186 0.0062 163 VAL E CB 8073 C CG1 . VAL E 163 ? 0.1580 0.1457 0.0704 0.0230 0.0058 0.0002 163 VAL E CG1 8074 C CG2 . VAL E 163 ? 0.1518 0.1461 0.0719 -0.0044 0.0178 0.0246 163 VAL E CG2 8075 N N . LEU E 164 ? 0.1248 0.0747 0.0874 -0.0009 0.0243 -0.0367 164 LEU E N 8076 C CA . LEU E 164 ? 0.1431 0.0855 0.1011 -0.0110 0.0250 -0.0280 164 LEU E CA 8077 C C . LEU E 164 ? 0.1476 0.0917 0.0902 -0.0069 0.0207 -0.0196 164 LEU E C 8078 O O . LEU E 164 ? 0.1653 0.1022 0.0936 -0.0247 0.0194 -0.0244 164 LEU E O 8079 C CB . LEU E 164 ? 0.1621 0.1074 0.1084 -0.0255 0.0374 -0.0340 164 LEU E CB 8080 C CG . LEU E 164 ? 0.1955 0.1231 0.1338 -0.0152 0.0451 -0.0139 164 LEU E CG 8081 C CD1 . LEU E 164 ? 0.2115 0.1285 0.1402 -0.0440 0.0622 -0.0159 164 LEU E CD1 8082 C CD2 . LEU E 164 ? 0.2109 0.1457 0.1521 -0.0054 0.0356 0.0054 164 LEU E CD2 8083 N N . PRO E 165 ? 0.1521 0.1028 0.0840 -0.0104 0.0126 -0.0176 165 PRO E N 8084 C CA . PRO E 165 ? 0.1649 0.1102 0.0778 -0.0026 0.0257 -0.0268 165 PRO E CA 8085 C C . PRO E 165 ? 0.1671 0.0909 0.0650 -0.0041 0.0275 -0.0251 165 PRO E C 8086 O O . PRO E 165 ? 0.1526 0.0863 0.0571 0.0006 0.0341 -0.0130 165 PRO E O 8087 C CB . PRO E 165 ? 0.1859 0.1365 0.1023 0.0152 0.0287 -0.0394 165 PRO E CB 8088 C CG . PRO E 165 ? 0.2012 0.1321 0.1241 0.0259 0.0104 -0.0405 165 PRO E CG 8089 C CD . PRO E 165 ? 0.1795 0.1014 0.1080 0.0013 0.0032 -0.0387 165 PRO E CD 8090 N N . PRO E 166 ? 0.1868 0.0880 0.0629 0.0047 0.0342 -0.0001 166 PRO E N 8091 C CA . PRO E 166 ? 0.1927 0.0907 0.0687 0.0065 0.0271 -0.0091 166 PRO E CA 8092 C C . PRO E 166 ? 0.1832 0.0878 0.0671 0.0128 0.0320 -0.0046 166 PRO E C 8093 O O . PRO E 166 ? 0.1719 0.1045 0.0510 0.0037 0.0255 -0.0020 166 PRO E O 8094 C CB . PRO E 166 ? 0.1991 0.1029 0.0688 0.0019 0.0218 0.0020 166 PRO E CB 8095 C CG . PRO E 166 ? 0.1942 0.1142 0.0664 0.0096 0.0368 0.0043 166 PRO E CG 8096 C CD . PRO E 166 ? 0.1959 0.1015 0.0692 0.0071 0.0459 0.0007 166 PRO E CD 8097 N N . GLU E 167 ? 0.1907 0.0926 0.1018 -0.0011 0.0284 0.0049 167 GLU E N 8098 C CA . GLU E 167 ? 0.2070 0.0955 0.1242 -0.0051 0.0403 0.0026 167 GLU E CA 8099 C C . GLU E 167 ? 0.1826 0.0748 0.0948 -0.0169 0.0312 0.0083 167 GLU E C 8100 O O . GLU E 167 ? 0.1801 0.0908 0.0905 -0.0124 0.0268 0.0132 167 GLU E O 8101 C CB . GLU E 167 ? 0.2442 0.1265 0.1888 -0.0088 0.0501 -0.0137 167 GLU E CB 8102 C CG . GLU E 167 ? 0.2753 0.1780 0.2582 0.0204 0.0477 -0.0293 167 GLU E CG 8103 C CD . GLU E 167 ? 0.2916 0.2240 0.3118 0.0425 0.0551 -0.0483 167 GLU E CD 8104 O OE1 . GLU E 167 ? 0.2808 0.2029 0.3280 0.0381 0.0553 -0.1033 167 GLU E OE1 8105 O OE2 . GLU E 167 ? 0.3152 0.2596 0.3360 0.0508 0.0551 -0.0282 167 GLU E OE2 8106 N N . ASN E 168 ? 0.1764 0.0641 0.0857 -0.0028 0.0290 -0.0105 168 ASN E N 8107 C CA . ASN E 168 ? 0.1732 0.0774 0.0944 0.0153 0.0260 0.0023 168 ASN E CA 8108 C C . ASN E 168 ? 0.1486 0.0724 0.0732 0.0219 0.0184 0.0005 168 ASN E C 8109 O O . ASN E 168 ? 0.1594 0.0961 0.0800 0.0300 0.0215 -0.0008 168 ASN E O 8110 C CB . ASN E 168 ? 0.1804 0.0987 0.1337 0.0447 0.0076 0.0077 168 ASN E CB 8111 C CG . ASN E 168 ? 0.2059 0.1475 0.1864 0.0353 0.0074 0.0239 168 ASN E CG 8112 O OD1 . ASN E 168 ? 0.2167 0.1758 0.2020 0.0414 0.0190 0.0342 168 ASN E OD1 8113 N ND2 . ASN E 168 ? 0.2254 0.1306 0.2087 0.0320 -0.0088 0.0174 168 ASN E ND2 8114 N N . ILE E 169 ? 0.1496 0.0700 0.0703 0.0312 0.0134 0.0024 169 ILE E N 8115 C CA . ILE E 169 ? 0.1570 0.0673 0.0720 0.0173 0.0137 0.0168 169 ILE E CA 8116 C C . ILE E 169 ? 0.1511 0.0780 0.0746 0.0087 0.0155 0.0234 169 ILE E C 8117 O O . ILE E 169 ? 0.1457 0.0744 0.0756 0.0007 0.0066 0.0278 169 ILE E O 8118 C CB . ILE E 169 ? 0.1736 0.0579 0.0879 0.0190 0.0289 0.0164 169 ILE E CB 8119 C CG1 . ILE E 169 ? 0.1868 0.1348 0.1239 0.0288 0.0357 0.0353 169 ILE E CG1 8120 C CG2 . ILE E 169 ? 0.1869 0.0530 0.0777 0.0136 0.0212 0.0093 169 ILE E CG2 8121 C CD1 . ILE E 169 ? 0.2112 0.2006 0.1485 0.0158 0.0227 0.0332 169 ILE E CD1 8122 N N . LEU E 170 ? 0.1445 0.0758 0.0783 0.0063 0.0125 0.0111 170 LEU E N 8123 C CA . LEU E 170 ? 0.1600 0.1182 0.0975 -0.0149 0.0019 0.0091 170 LEU E CA 8124 C C . LEU E 170 ? 0.1631 0.0861 0.0947 -0.0102 0.0204 0.0031 170 LEU E C 8125 O O . LEU E 170 ? 0.1598 0.0925 0.0989 -0.0073 0.0095 -0.0171 170 LEU E O 8126 C CB . LEU E 170 ? 0.1828 0.1820 0.1288 -0.0317 -0.0201 0.0083 170 LEU E CB 8127 C CG . LEU E 170 ? 0.2424 0.2802 0.1801 -0.0064 -0.0204 0.0033 170 LEU E CG 8128 C CD1 . LEU E 170 ? 0.2625 0.3127 0.1878 -0.0064 -0.0285 0.0051 170 LEU E CD1 8129 C CD2 . LEU E 170 ? 0.2693 0.3280 0.2036 0.0088 -0.0279 0.0044 170 LEU E CD2 8130 N N A SER E 171 ? 0.1658 0.0995 0.0945 -0.0065 0.0263 0.0023 171 SER E N 8131 N N B SER E 171 ? 0.1681 0.0756 0.0928 -0.0098 0.0426 0.0096 171 SER E N 8132 C CA A SER E 171 ? 0.1679 0.1143 0.0917 -0.0014 0.0312 0.0015 171 SER E CA 8133 C CA B SER E 171 ? 0.1852 0.0916 0.0937 0.0009 0.0481 0.0246 171 SER E CA 8134 C C A SER E 171 ? 0.1647 0.1124 0.0822 0.0071 0.0357 0.0121 171 SER E C 8135 C C B SER E 171 ? 0.1695 0.0943 0.0834 0.0242 0.0432 0.0338 171 SER E C 8136 O O A SER E 171 ? 0.1676 0.1227 0.0823 0.0167 0.0351 0.0116 171 SER E O 8137 O O B SER E 171 ? 0.1498 0.1168 0.0747 0.0367 0.0289 0.0407 171 SER E O 8138 C CB A SER E 171 ? 0.1734 0.1262 0.0955 0.0002 0.0339 -0.0093 171 SER E CB 8139 C CB B SER E 171 ? 0.2236 0.0995 0.1085 0.0244 0.0625 0.0324 171 SER E CB 8140 O OG A SER E 171 ? 0.1745 0.1344 0.0997 -0.0015 0.0349 -0.0191 171 SER E OG 8141 O OG B SER E 171 ? 0.2708 0.1342 0.1310 0.0338 0.0709 0.0470 171 SER E OG 8142 N N . ALA E 172 ? 0.1544 0.1012 0.0693 0.0016 0.0380 0.0202 172 ALA E N 8143 C CA . ALA E 172 ? 0.1554 0.1057 0.0555 0.0002 0.0146 0.0200 172 ALA E CA 8144 C C . ALA E 172 ? 0.1422 0.0887 0.0606 -0.0020 0.0157 0.0181 172 ALA E C 8145 O O . ALA E 172 ? 0.1449 0.1067 0.0772 0.0051 0.0159 -0.0084 172 ALA E O 8146 C CB . ALA E 172 ? 0.1380 0.1490 0.0640 0.0060 -0.0068 0.0060 172 ALA E CB 8147 N N . TYR E 173 ? 0.1358 0.0803 0.0700 0.0024 0.0118 0.0270 173 TYR E N 8148 C CA . TYR E 173 ? 0.1333 0.0938 0.0940 -0.0111 0.0000 0.0187 173 TYR E CA 8149 C C . TYR E 173 ? 0.1342 0.1155 0.1032 -0.0044 0.0219 0.0319 173 TYR E C 8150 O O . TYR E 173 ? 0.1290 0.1193 0.1044 0.0049 0.0236 0.0073 173 TYR E O 8151 C CB . TYR E 173 ? 0.1275 0.0856 0.1062 -0.0101 -0.0153 0.0298 173 TYR E CB 8152 C CG . TYR E 173 ? 0.1199 0.1033 0.1411 -0.0166 -0.0260 0.0436 173 TYR E CG 8153 C CD1 . TYR E 173 ? 0.1195 0.0907 0.1644 -0.0110 -0.0349 0.0413 173 TYR E CD1 8154 C CD2 . TYR E 173 ? 0.1179 0.1589 0.1637 -0.0044 -0.0366 0.0508 173 TYR E CD2 8155 C CE1 . TYR E 173 ? 0.1123 0.0882 0.1851 -0.0108 -0.0298 0.0559 173 TYR E CE1 8156 C CE2 . TYR E 173 ? 0.1209 0.1796 0.1839 -0.0046 -0.0486 0.0507 173 TYR E CE2 8157 C CZ . TYR E 173 ? 0.1218 0.1634 0.2017 0.0032 -0.0369 0.0679 173 TYR E CZ 8158 O OH . TYR E 173 ? 0.1572 0.2325 0.2462 0.0154 -0.0364 0.0577 173 TYR E OH 8159 N N . GLN E 174 ? 0.1536 0.1474 0.1460 -0.0288 0.0495 0.0340 174 GLN E N 8160 C CA . GLN E 174 ? 0.2145 0.2320 0.2079 -0.0597 0.0758 0.0424 174 GLN E CA 8161 C C . GLN E 174 ? 0.2427 0.2747 0.2172 -0.0332 0.0758 0.0786 174 GLN E C 8162 O O . GLN E 174 ? 0.2768 0.3470 0.2423 -0.0459 0.0703 0.0714 174 GLN E O 8163 C CB . GLN E 174 ? 0.2874 0.2885 0.2735 -0.0549 0.0779 0.0261 174 GLN E CB 8164 C CG . GLN E 174 ? 0.3555 0.3522 0.3294 -0.0575 0.0616 0.0111 174 GLN E CG 8165 C CD . GLN E 174 ? 0.4039 0.3881 0.3662 -0.0479 0.0438 -0.0158 174 GLN E CD 8166 O OE1 . GLN E 174 ? 0.4212 0.3950 0.3804 -0.0521 0.0318 -0.0257 174 GLN E OE1 8167 N NE2 . GLN E 174 ? 0.4310 0.3991 0.3835 -0.0516 0.0366 -0.0347 174 GLN E NE2 8168 N N . GLY E 175 ? 0.2471 0.2501 0.2079 0.0281 0.0814 0.1097 175 GLY E N 8169 C CA . GLY E 175 ? 0.2681 0.2255 0.2194 0.0376 0.0700 0.0881 175 GLY E CA 8170 C C . GLY E 175 ? 0.2747 0.1827 0.2154 0.0348 0.0569 0.0958 175 GLY E C 8171 O O . GLY E 175 ? 0.2926 0.1520 0.2053 0.0310 0.0293 0.0884 175 GLY E O 8172 N N . THR E 176 ? 0.2704 0.1599 0.2027 0.0451 0.0662 0.0860 176 THR E N 8173 C CA . THR E 176 ? 0.2367 0.1756 0.1886 0.0076 0.0644 0.0613 176 THR E CA 8174 C C . THR E 176 ? 0.1882 0.1371 0.1200 -0.0018 0.0458 0.0200 176 THR E C 8175 O O . THR E 176 ? 0.2003 0.1499 0.0962 -0.0346 0.0331 0.0133 176 THR E O 8176 C CB . THR E 176 ? 0.2606 0.2313 0.2456 -0.0039 0.0827 0.0485 176 THR E CB 8177 O OG1 . THR E 176 ? 0.2930 0.2655 0.2779 -0.0457 0.0781 0.0363 176 THR E OG1 8178 C CG2 . THR E 176 ? 0.2710 0.2094 0.2702 0.0157 0.0794 0.0641 176 THR E CG2 8179 N N . PRO E 177 ? 0.1357 0.0924 0.0889 -0.0060 0.0264 0.0250 177 PRO E N 8180 C CA . PRO E 177 ? 0.1322 0.0756 0.0806 0.0069 0.0210 0.0389 177 PRO E CA 8181 C C . PRO E 177 ? 0.1323 0.0657 0.0719 0.0155 0.0156 0.0313 177 PRO E C 8182 O O . PRO E 177 ? 0.1571 0.0762 0.0786 -0.0023 0.0115 0.0354 177 PRO E O 8183 C CB . PRO E 177 ? 0.1388 0.0936 0.0951 0.0079 0.0242 0.0369 177 PRO E CB 8184 C CG . PRO E 177 ? 0.1477 0.1226 0.1066 -0.0098 0.0272 0.0211 177 PRO E CG 8185 C CD . PRO E 177 ? 0.1418 0.1098 0.0970 -0.0080 0.0327 0.0187 177 PRO E CD 8186 N N . LEU E 178 ? 0.1351 0.0806 0.0878 0.0081 0.0268 0.0228 178 LEU E N 8187 C CA . LEU E 178 ? 0.1656 0.0834 0.1048 0.0221 0.0245 0.0192 178 LEU E CA 8188 C C . LEU E 178 ? 0.1545 0.0859 0.1178 0.0223 0.0056 0.0291 178 LEU E C 8189 O O . LEU E 178 ? 0.1570 0.0841 0.1253 0.0361 0.0006 0.0126 178 LEU E O 8190 C CB . LEU E 178 ? 0.2076 0.1177 0.1328 0.0184 0.0403 0.0043 178 LEU E CB 8191 C CG . LEU E 178 ? 0.2533 0.1854 0.1737 0.0260 0.0507 -0.0001 178 LEU E CG 8192 C CD1 . LEU E 178 ? 0.2723 0.2238 0.1796 0.0296 0.0629 -0.0002 178 LEU E CD1 8193 C CD2 . LEU E 178 ? 0.2741 0.1943 0.1967 0.0228 0.0599 -0.0150 178 LEU E CD2 8194 N N . PRO E 179 ? 0.1536 0.0748 0.1208 0.0253 0.0063 0.0355 179 PRO E N 8195 C CA . PRO E 179 ? 0.1435 0.0859 0.1117 0.0273 0.0014 0.0380 179 PRO E CA 8196 C C . PRO E 179 ? 0.1326 0.0723 0.0918 0.0309 0.0183 0.0358 179 PRO E C 8197 O O . PRO E 179 ? 0.1366 0.0842 0.0884 0.0294 0.0311 0.0152 179 PRO E O 8198 C CB . PRO E 179 ? 0.1780 0.1371 0.1293 0.0196 -0.0114 0.0634 179 PRO E CB 8199 C CG . PRO E 179 ? 0.1940 0.1218 0.1347 0.0091 -0.0073 0.0718 179 PRO E CG 8200 C CD . PRO E 179 ? 0.1804 0.0855 0.1351 0.0129 0.0107 0.0553 179 PRO E CD 8201 N N . ALA E 180 ? 0.1196 0.0975 0.0950 0.0246 0.0139 0.0279 180 ALA E N 8202 C CA . ALA E 180 ? 0.1098 0.0827 0.0927 0.0398 0.0098 0.0256 180 ALA E CA 8203 C C . ALA E 180 ? 0.1193 0.1249 0.0965 0.0416 0.0179 0.0479 180 ALA E C 8204 O O . ALA E 180 ? 0.1408 0.2142 0.1014 0.0254 0.0243 0.0365 180 ALA E O 8205 C CB . ALA E 180 ? 0.1041 0.0787 0.1012 0.0419 -0.0017 0.0179 180 ALA E CB 8206 N N . ASN E 181 ? 0.1049 0.1112 0.1119 0.0372 0.0085 0.0377 181 ASN E N 8207 C CA . ASN E 181 ? 0.1078 0.1268 0.1177 0.0414 -0.0013 0.0385 181 ASN E CA 8208 C C . ASN E 181 ? 0.1058 0.1126 0.1219 0.0388 -0.0329 0.0374 181 ASN E C 8209 O O . ASN E 181 ? 0.1484 0.1492 0.1736 0.0340 -0.0809 0.0138 181 ASN E O 8210 C CB . ASN E 181 ? 0.1107 0.1369 0.1320 0.0406 0.0171 0.0435 181 ASN E CB 8211 C CG . ASN E 181 ? 0.1305 0.1517 0.1405 0.0680 0.0317 0.0498 181 ASN E CG 8212 O OD1 . ASN E 181 ? 0.1399 0.1299 0.1227 0.0683 0.0345 0.0522 181 ASN E OD1 8213 N ND2 . ASN E 181 ? 0.1457 0.1855 0.1669 0.0758 0.0391 0.0344 181 ASN E ND2 8214 N N . ILE E 182 ? 0.0774 0.1082 0.0976 0.0371 -0.0119 0.0310 182 ILE E N 8215 C CA . ILE E 182 ? 0.0878 0.1194 0.0919 0.0121 0.0038 0.0229 182 ILE E CA 8216 C C . ILE E 182 ? 0.0942 0.1140 0.0688 0.0225 -0.0011 0.0227 182 ILE E C 8217 O O . ILE E 182 ? 0.0952 0.1429 0.0767 0.0175 -0.0106 -0.0078 182 ILE E O 8218 C CB . ILE E 182 ? 0.1021 0.1281 0.1097 0.0170 0.0232 0.0048 182 ILE E CB 8219 C CG1 . ILE E 182 ? 0.1081 0.1518 0.1154 0.0293 0.0203 0.0107 182 ILE E CG1 8220 C CG2 . ILE E 182 ? 0.1251 0.1522 0.1198 0.0204 0.0347 0.0026 182 ILE E CG2 8221 C CD1 . ILE E 182 ? 0.1109 0.1624 0.1243 0.0250 0.0201 0.0184 182 ILE E CD1 8222 N N . LEU E 183 ? 0.0824 0.1072 0.0490 0.0204 0.0011 0.0201 183 LEU E N 8223 C CA . LEU E 183 ? 0.0759 0.0731 0.0423 0.0237 0.0032 0.0239 183 LEU E CA 8224 C C . LEU E 183 ? 0.0849 0.0696 0.0377 0.0077 0.0139 0.0214 183 LEU E C 8225 O O . LEU E 183 ? 0.0799 0.0911 0.0359 0.0097 0.0090 0.0220 183 LEU E O 8226 C CB . LEU E 183 ? 0.0936 0.0932 0.0512 0.0149 0.0070 0.0099 183 LEU E CB 8227 C CG . LEU E 183 ? 0.1042 0.0976 0.0641 0.0107 0.0118 0.0119 183 LEU E CG 8228 C CD1 . LEU E 183 ? 0.1247 0.1137 0.0804 0.0136 0.0192 0.0065 183 LEU E CD1 8229 C CD2 . LEU E 183 ? 0.1044 0.1267 0.0829 -0.0019 0.0016 0.0065 183 LEU E CD2 8230 N N . ASP E 184 ? 0.0989 0.0712 0.0567 0.0178 0.0159 0.0130 184 ASP E N 8231 C CA . ASP E 184 ? 0.1068 0.0779 0.0637 0.0072 0.0182 0.0010 184 ASP E CA 8232 C C . ASP E 184 ? 0.0807 0.0781 0.0387 0.0114 0.0089 0.0142 184 ASP E C 8233 O O . ASP E 184 ? 0.0965 0.0931 0.0495 -0.0017 -0.0008 0.0216 184 ASP E O 8234 C CB . ASP E 184 ? 0.1295 0.0996 0.1139 0.0131 0.0263 0.0034 184 ASP E CB 8235 C CG . ASP E 184 ? 0.1562 0.1201 0.1277 0.0209 0.0478 -0.0088 184 ASP E CG 8236 O OD1 . ASP E 184 ? 0.1941 0.1311 0.1421 0.0192 0.0766 -0.0242 184 ASP E OD1 8237 O OD2 . ASP E 184 ? 0.1612 0.1718 0.1320 -0.0016 0.0535 -0.0163 184 ASP E OD2 8238 N N . TRP E 185 ? 0.0904 0.0800 0.0382 0.0060 0.0125 0.0229 185 TRP E N 8239 C CA . TRP E 185 ? 0.0937 0.0795 0.0415 0.0025 0.0092 0.0272 185 TRP E CA 8240 C C . TRP E 185 ? 0.0996 0.0683 0.0443 0.0115 0.0074 0.0252 185 TRP E C 8241 O O . TRP E 185 ? 0.1190 0.0894 0.0500 0.0223 0.0104 0.0277 185 TRP E O 8242 C CB . TRP E 185 ? 0.0813 0.0656 0.0482 0.0102 -0.0008 0.0290 185 TRP E CB 8243 C CG . TRP E 185 ? 0.0783 0.0883 0.0467 0.0026 -0.0127 0.0304 185 TRP E CG 8244 C CD1 . TRP E 185 ? 0.0850 0.1032 0.0557 0.0025 -0.0063 0.0293 185 TRP E CD1 8245 C CD2 . TRP E 185 ? 0.0955 0.0913 0.0394 0.0017 -0.0132 0.0246 185 TRP E CD2 8246 N NE1 . TRP E 185 ? 0.1157 0.1222 0.0529 0.0011 0.0112 0.0319 185 TRP E NE1 8247 C CE2 . TRP E 185 ? 0.1030 0.1017 0.0476 -0.0007 0.0092 0.0229 185 TRP E CE2 8248 C CE3 . TRP E 185 ? 0.1014 0.0658 0.0438 0.0039 -0.0103 0.0236 185 TRP E CE3 8249 C CZ2 . TRP E 185 ? 0.0943 0.1024 0.0710 0.0282 0.0041 0.0213 185 TRP E CZ2 8250 C CZ3 . TRP E 185 ? 0.1084 0.0883 0.0621 0.0034 -0.0086 0.0242 185 TRP E CZ3 8251 C CH2 . TRP E 185 ? 0.1012 0.0931 0.0645 0.0147 0.0060 0.0109 185 TRP E CH2 8252 N N . GLN E 186 ? 0.1157 0.0594 0.0524 0.0118 0.0111 0.0237 186 GLN E N 8253 C CA . GLN E 186 ? 0.1296 0.0479 0.0576 -0.0021 0.0062 0.0178 186 GLN E CA 8254 C C . GLN E 186 ? 0.1440 0.0627 0.0605 -0.0031 0.0020 0.0240 186 GLN E C 8255 O O . GLN E 186 ? 0.1620 0.1045 0.0732 0.0056 -0.0003 0.0439 186 GLN E O 8256 C CB . GLN E 186 ? 0.1353 0.0590 0.0688 0.0116 0.0149 0.0264 186 GLN E CB 8257 C CG . GLN E 186 ? 0.1421 0.0583 0.0690 0.0184 0.0167 0.0235 186 GLN E CG 8258 C CD . GLN E 186 ? 0.1615 0.0505 0.0752 0.0072 0.0172 0.0136 186 GLN E CD 8259 O OE1 . GLN E 186 ? 0.1794 0.0791 0.0636 -0.0010 0.0121 0.0211 186 GLN E OE1 8260 N NE2 . GLN E 186 ? 0.1568 0.0701 0.0874 0.0203 -0.0005 0.0136 186 GLN E NE2 8261 N N . ALA E 187 ? 0.1494 0.0697 0.0668 0.0029 -0.0066 0.0222 187 ALA E N 8262 C CA . ALA E 187 ? 0.1523 0.1029 0.0719 0.0225 -0.0106 0.0320 187 ALA E CA 8263 C C . ALA E 187 ? 0.1249 0.0950 0.0684 0.0170 -0.0189 0.0377 187 ALA E C 8264 O O . ALA E 187 ? 0.1365 0.1310 0.0773 0.0172 -0.0160 0.0284 187 ALA E O 8265 C CB . ALA E 187 ? 0.1720 0.1257 0.0962 0.0393 -0.0110 0.0200 187 ALA E CB 8266 N N . LEU E 188 ? 0.1357 0.0711 0.0646 0.0150 0.0044 0.0222 188 LEU E N 8267 C CA . LEU E 188 ? 0.1306 0.0882 0.0674 0.0034 0.0175 0.0036 188 LEU E CA 8268 C C . LEU E 188 ? 0.1180 0.0955 0.0589 0.0043 0.0075 0.0082 188 LEU E C 8269 O O . LEU E 188 ? 0.1284 0.1218 0.0597 -0.0115 0.0156 0.0161 188 LEU E O 8270 C CB . LEU E 188 ? 0.1561 0.0751 0.0844 0.0076 0.0131 0.0065 188 LEU E CB 8271 C CG . LEU E 188 ? 0.1673 0.0611 0.0935 0.0065 0.0121 0.0045 188 LEU E CG 8272 C CD1 . LEU E 188 ? 0.1888 0.0776 0.0992 0.0319 0.0219 0.0172 188 LEU E CD1 8273 C CD2 . LEU E 188 ? 0.1679 0.1039 0.1045 -0.0061 0.0140 0.0291 188 LEU E CD2 8274 N N . ASN E 189 ? 0.1173 0.1168 0.0632 0.0253 -0.0065 0.0158 189 ASN E N 8275 C CA . ASN E 189 ? 0.1185 0.1364 0.0834 0.0318 -0.0108 0.0012 189 ASN E CA 8276 C C . ASN E 189 ? 0.1257 0.1392 0.0841 0.0352 0.0100 0.0125 189 ASN E C 8277 O O . ASN E 189 ? 0.1404 0.1576 0.1149 0.0413 0.0331 0.0247 189 ASN E O 8278 C CB . ASN E 189 ? 0.1360 0.1816 0.1249 0.0388 -0.0198 -0.0104 189 ASN E CB 8279 C CG . ASN E 189 ? 0.1743 0.2641 0.1732 0.0297 -0.0106 -0.0108 189 ASN E CG 8280 O OD1 . ASN E 189 ? 0.2014 0.3125 0.2013 0.0241 -0.0189 -0.0111 189 ASN E OD1 8281 N ND2 . ASN E 189 ? 0.1830 0.2812 0.1906 0.0130 -0.0151 0.0108 189 ASN E ND2 8282 N N . TYR E 190 ? 0.1436 0.1258 0.0771 0.0368 0.0122 0.0270 190 TYR E N 8283 C CA . TYR E 190 ? 0.1664 0.1269 0.0847 0.0325 0.0122 0.0329 190 TYR E CA 8284 C C . TYR E 190 ? 0.1733 0.1358 0.0730 0.0179 0.0173 0.0238 190 TYR E C 8285 O O . TYR E 190 ? 0.1911 0.1500 0.0848 0.0193 0.0075 0.0349 190 TYR E O 8286 C CB . TYR E 190 ? 0.1852 0.1339 0.0901 0.0275 -0.0113 0.0158 190 TYR E CB 8287 C CG . TYR E 190 ? 0.1919 0.1351 0.0981 0.0148 -0.0348 0.0146 190 TYR E CG 8288 C CD1 . TYR E 190 ? 0.1978 0.1567 0.1040 0.0087 -0.0365 0.0084 190 TYR E CD1 8289 C CD2 . TYR E 190 ? 0.2102 0.1506 0.1116 0.0139 -0.0339 0.0212 190 TYR E CD2 8290 C CE1 . TYR E 190 ? 0.1925 0.1804 0.1221 0.0090 -0.0399 0.0108 190 TYR E CE1 8291 C CE2 . TYR E 190 ? 0.2076 0.1786 0.1427 0.0209 -0.0341 0.0254 190 TYR E CE2 8292 C CZ . TYR E 190 ? 0.2065 0.1956 0.1540 0.0189 -0.0281 0.0450 190 TYR E CZ 8293 O OH . TYR E 190 ? 0.2322 0.2432 0.2130 0.0171 -0.0140 0.0654 190 TYR E OH 8294 N N . GLU E 191 ? 0.1737 0.1164 0.0600 0.0100 0.0186 0.0021 191 GLU E N 8295 C CA . GLU E 191 ? 0.1731 0.1531 0.0709 0.0198 -0.0074 -0.0147 191 GLU E CA 8296 C C . GLU E 191 ? 0.1495 0.1470 0.0479 0.0297 0.0070 0.0048 191 GLU E C 8297 O O . GLU E 191 ? 0.1474 0.1561 0.0560 0.0236 0.0271 0.0159 191 GLU E O 8298 C CB . GLU E 191 ? 0.2048 0.2297 0.1419 0.0158 -0.0371 -0.0179 191 GLU E CB 8299 C CG . GLU E 191 ? 0.2347 0.3362 0.2058 0.0081 -0.0619 -0.0114 191 GLU E CG 8300 C CD . GLU E 191 ? 0.2692 0.4222 0.2543 -0.0052 -0.0797 0.0038 191 GLU E CD 8301 O OE1 . GLU E 191 ? 0.2814 0.4581 0.2578 -0.0077 -0.0846 0.0213 191 GLU E OE1 8302 O OE2 . GLU E 191 ? 0.2781 0.4643 0.2802 -0.0169 -0.0964 0.0014 191 GLU E OE2 8303 N N . ILE E 192 ? 0.1395 0.1208 0.0459 0.0223 0.0041 -0.0070 192 ILE E N 8304 C CA . ILE E 192 ? 0.1161 0.1106 0.0316 0.0032 -0.0061 -0.0042 192 ILE E CA 8305 C C . ILE E 192 ? 0.1244 0.1198 0.0388 -0.0054 -0.0019 -0.0205 192 ILE E C 8306 O O . ILE E 192 ? 0.1465 0.1322 0.0561 -0.0103 -0.0116 -0.0272 192 ILE E O 8307 C CB . ILE E 192 ? 0.1138 0.1060 0.0664 -0.0012 0.0014 0.0014 192 ILE E CB 8308 C CG1 . ILE E 192 ? 0.1282 0.1212 0.0887 -0.0019 0.0202 -0.0104 192 ILE E CG1 8309 C CG2 . ILE E 192 ? 0.1194 0.1183 0.0748 -0.0198 0.0100 0.0120 192 ILE E CG2 8310 C CD1 . ILE E 192 ? 0.1345 0.1621 0.1020 -0.0067 0.0184 -0.0149 192 ILE E CD1 8311 N N . ARG E 193 ? 0.1303 0.1472 0.0453 -0.0088 0.0008 -0.0231 193 ARG E N 8312 C CA . ARG E 193 ? 0.1298 0.1411 0.0775 -0.0470 0.0127 -0.0024 193 ARG E CA 8313 C C . ARG E 193 ? 0.1237 0.1262 0.0554 -0.0226 -0.0142 -0.0302 193 ARG E C 8314 O O . ARG E 193 ? 0.1522 0.1396 0.0475 0.0180 -0.0128 -0.0171 193 ARG E O 8315 C CB . ARG E 193 ? 0.1481 0.2000 0.1358 -0.0592 0.0075 0.0208 193 ARG E CB 8316 C CG . ARG E 193 ? 0.1718 0.2667 0.1829 -0.0569 -0.0231 0.0279 193 ARG E CG 8317 C CD . ARG E 193 ? 0.2160 0.3336 0.2301 -0.0330 -0.0317 0.0162 193 ARG E CD 8318 N NE . ARG E 193 ? 0.2552 0.3834 0.2643 -0.0145 -0.0334 0.0036 193 ARG E NE 8319 C CZ . ARG E 193 ? 0.2774 0.4230 0.2734 0.0034 -0.0314 -0.0091 193 ARG E CZ 8320 N NH1 . ARG E 193 ? 0.2849 0.4360 0.2751 0.0071 -0.0264 -0.0210 193 ARG E NH1 8321 N NH2 . ARG E 193 ? 0.2802 0.4417 0.2767 0.0147 -0.0359 -0.0070 193 ARG E NH2 8322 N N . GLY E 194 ? 0.1181 0.1562 0.0715 -0.0415 -0.0078 -0.0376 194 GLY E N 8323 C CA . GLY E 194 ? 0.1069 0.1237 0.0794 -0.0285 0.0011 -0.0421 194 GLY E CA 8324 C C . GLY E 194 ? 0.1012 0.1204 0.0845 -0.0295 0.0210 -0.0269 194 GLY E C 8325 O O . GLY E 194 ? 0.1163 0.1315 0.1012 -0.0218 0.0209 -0.0110 194 GLY E O 8326 N N . TYR E 195 ? 0.0909 0.1161 0.0772 -0.0227 0.0311 -0.0301 195 TYR E N 8327 C CA . TYR E 195 ? 0.0890 0.0990 0.0837 -0.0213 0.0225 -0.0204 195 TYR E CA 8328 C C . TYR E 195 ? 0.0947 0.0951 0.0648 -0.0181 0.0061 -0.0099 195 TYR E C 8329 O O . TYR E 195 ? 0.1080 0.0879 0.0683 -0.0280 0.0152 -0.0021 195 TYR E O 8330 C CB . TYR E 195 ? 0.0882 0.0908 0.0953 -0.0275 0.0375 -0.0219 195 TYR E CB 8331 C CG . TYR E 195 ? 0.0941 0.0570 0.0876 -0.0111 0.0343 -0.0096 195 TYR E CG 8332 C CD1 . TYR E 195 ? 0.1091 0.0672 0.0997 -0.0066 0.0270 -0.0053 195 TYR E CD1 8333 C CD2 . TYR E 195 ? 0.1095 0.0717 0.0824 0.0026 0.0332 0.0172 195 TYR E CD2 8334 C CE1 . TYR E 195 ? 0.1003 0.0727 0.0894 -0.0027 0.0277 0.0026 195 TYR E CE1 8335 C CE2 . TYR E 195 ? 0.1000 0.0934 0.0819 0.0164 0.0202 0.0150 195 TYR E CE2 8336 C CZ . TYR E 195 ? 0.0983 0.0981 0.0689 -0.0045 0.0223 -0.0040 195 TYR E CZ 8337 O OH . TYR E 195 ? 0.1045 0.1302 0.0533 -0.0070 0.0281 -0.0131 195 TYR E OH 8338 N N . VAL E 196 ? 0.0958 0.0873 0.0525 -0.0110 0.0017 -0.0041 196 VAL E N 8339 C CA . VAL E 196 ? 0.0969 0.0925 0.0488 -0.0201 0.0100 -0.0122 196 VAL E CA 8340 C C . VAL E 196 ? 0.1058 0.0915 0.0383 -0.0097 0.0026 -0.0064 196 VAL E C 8341 O O . VAL E 196 ? 0.1206 0.1020 0.0608 -0.0091 -0.0089 0.0124 196 VAL E O 8342 C CB . VAL E 196 ? 0.1001 0.1014 0.0549 -0.0303 0.0247 -0.0253 196 VAL E CB 8343 C CG1 . VAL E 196 ? 0.1012 0.0797 0.0746 -0.0222 0.0380 -0.0341 196 VAL E CG1 8344 C CG2 . VAL E 196 ? 0.1183 0.1122 0.0639 -0.0240 0.0342 -0.0314 196 VAL E CG2 8345 N N . ILE E 197 ? 0.1024 0.0810 0.0338 -0.0266 0.0096 -0.0082 197 ILE E N 8346 C CA . ILE E 197 ? 0.1122 0.0810 0.0382 -0.0210 0.0071 0.0025 197 ILE E CA 8347 C C . ILE E 197 ? 0.1097 0.0581 0.0317 -0.0219 0.0031 -0.0046 197 ILE E C 8348 O O . ILE E 197 ? 0.1492 0.0866 0.0393 -0.0044 -0.0036 -0.0042 197 ILE E O 8349 C CB . ILE E 197 ? 0.1076 0.0827 0.0454 -0.0312 0.0228 0.0016 197 ILE E CB 8350 C CG1 . ILE E 197 ? 0.1217 0.0932 0.0436 -0.0319 0.0194 0.0006 197 ILE E CG1 8351 C CG2 . ILE E 197 ? 0.1279 0.1247 0.0593 -0.0295 0.0364 -0.0028 197 ILE E CG2 8352 C CD1 . ILE E 197 ? 0.1452 0.1264 0.0455 -0.0220 0.0183 -0.0066 197 ILE E CD1 8353 N N . ILE E 198 ? 0.1162 0.0753 0.0310 -0.0028 0.0058 0.0004 198 ILE E N 8354 C CA . ILE E 198 ? 0.1091 0.0390 0.0484 -0.0185 0.0051 0.0053 198 ILE E CA 8355 C C . ILE E 198 ? 0.1060 0.0407 0.0504 -0.0156 0.0106 0.0108 198 ILE E C 8356 O O . ILE E 198 ? 0.1320 0.0880 0.0641 -0.0256 0.0229 0.0237 198 ILE E O 8357 C CB . ILE E 198 ? 0.1097 0.0446 0.0849 -0.0274 -0.0190 0.0124 198 ILE E CB 8358 C CG1 . ILE E 198 ? 0.1216 0.0833 0.1231 0.0068 -0.0212 0.0221 198 ILE E CG1 8359 C CG2 . ILE E 198 ? 0.1248 0.0587 0.0908 -0.0278 -0.0132 0.0137 198 ILE E CG2 8360 C CD1 . ILE E 198 ? 0.1475 0.1008 0.1362 0.0180 -0.0237 0.0147 198 ILE E CD1 8361 N N . LYS E 199 ? 0.1023 0.0506 0.0445 -0.0229 0.0176 0.0062 199 LYS E N 8362 C CA . LYS E 199 ? 0.1062 0.0596 0.0523 -0.0053 0.0207 0.0139 199 LYS E CA 8363 C C . LYS E 199 ? 0.0839 0.0501 0.0562 -0.0170 0.0185 0.0171 199 LYS E C 8364 O O . LYS E 199 ? 0.0952 0.0693 0.0629 -0.0111 0.0225 0.0160 199 LYS E O 8365 C CB . LYS E 199 ? 0.1351 0.0748 0.0763 0.0061 0.0266 -0.0010 199 LYS E CB 8366 C CG . LYS E 199 ? 0.1820 0.0937 0.0975 -0.0008 0.0492 -0.0055 199 LYS E CG 8367 C CD . LYS E 199 ? 0.2243 0.1387 0.1289 -0.0170 0.0924 -0.0082 199 LYS E CD 8368 C CE . LYS E 199 ? 0.2404 0.1887 0.1832 -0.0334 0.1120 -0.0186 199 LYS E CE 8369 N NZ . LYS E 199 ? 0.2754 0.2311 0.2206 -0.0226 0.1228 -0.0161 199 LYS E NZ 8370 N N . PRO E 200 ? 0.0982 0.0587 0.0731 -0.0193 0.0259 0.0145 200 PRO E N 8371 C CA . PRO E 200 ? 0.1128 0.0527 0.0795 -0.0145 0.0169 0.0223 200 PRO E CA 8372 C C . PRO E 200 ? 0.1039 0.0468 0.0884 0.0079 0.0037 0.0154 200 PRO E C 8373 O O . PRO E 200 ? 0.1080 0.0706 0.0911 0.0019 0.0060 -0.0015 200 PRO E O 8374 C CB . PRO E 200 ? 0.1248 0.0763 0.0810 -0.0293 0.0143 0.0218 200 PRO E CB 8375 C CG . PRO E 200 ? 0.1283 0.0973 0.0864 -0.0338 0.0392 0.0192 200 PRO E CG 8376 C CD . PRO E 200 ? 0.1277 0.0823 0.0786 -0.0195 0.0407 0.0192 200 PRO E CD 8377 N N . LEU E 201 ? 0.0952 0.0637 0.0980 0.0092 -0.0109 0.0215 201 LEU E N 8378 C CA . LEU E 201 ? 0.1131 0.0663 0.1190 0.0113 -0.0214 0.0088 201 LEU E CA 8379 C C . LEU E 201 ? 0.1266 0.0557 0.1372 -0.0124 -0.0319 0.0006 201 LEU E C 8380 O O . LEU E 201 ? 0.1659 0.0862 0.1968 -0.0200 -0.0467 0.0032 201 LEU E O 8381 C CB . LEU E 201 ? 0.1451 0.0744 0.1226 0.0323 -0.0170 0.0145 201 LEU E CB 8382 C CG . LEU E 201 ? 0.1658 0.1148 0.1378 0.0423 0.0011 0.0189 201 LEU E CG 8383 C CD1 . LEU E 201 ? 0.1488 0.0963 0.1398 0.0336 0.0096 0.0296 201 LEU E CD1 8384 C CD2 . LEU E 201 ? 0.1951 0.1426 0.1552 0.0813 -0.0053 0.0420 201 LEU E CD2 8385 N N . VAL E 202 ? 0.1081 0.0551 0.1216 -0.0138 -0.0040 0.0189 202 VAL E N 8386 C CA . VAL E 202 ? 0.0967 0.0811 0.1153 -0.0180 -0.0021 0.0047 202 VAL E CA 8387 C C . VAL E 202 ? 0.0918 0.0845 0.1112 -0.0130 0.0023 0.0147 202 VAL E C 8388 O O . VAL E 202 ? 0.1078 0.1082 0.1166 -0.0161 0.0180 0.0194 202 VAL E O 8389 C CB . VAL E 202 ? 0.1028 0.0984 0.1220 -0.0098 0.0046 -0.0070 202 VAL E CB 8390 C CG1 . VAL E 202 ? 0.1161 0.1185 0.1286 -0.0134 0.0042 -0.0036 202 VAL E CG1 8391 C CG2 . VAL E 202 ? 0.1037 0.0927 0.1234 0.0009 0.0116 -0.0247 202 VAL E CG2 8392 N N . TRP E 203 ? 0.0996 0.1027 0.1104 -0.0116 -0.0026 0.0249 203 TRP E N 8393 C CA . TRP E 203 ? 0.1337 0.1578 0.1289 -0.0234 0.0138 -0.0120 203 TRP E CA 8394 C C . TRP E 203 ? 0.2103 0.2533 0.1947 -0.0358 0.0322 -0.0583 203 TRP E C 8395 O O . TRP E 203 ? 0.2354 0.3016 0.2055 -0.0182 0.0248 -0.0686 203 TRP E O 8396 C CB . TRP E 203 ? 0.1194 0.1212 0.1055 -0.0046 0.0252 0.0171 203 TRP E CB 8397 C CG . TRP E 203 ? 0.1182 0.0860 0.0838 0.0105 0.0293 0.0280 203 TRP E CG 8398 C CD1 . TRP E 203 ? 0.1230 0.0829 0.0790 0.0154 0.0415 0.0166 203 TRP E CD1 8399 C CD2 . TRP E 203 ? 0.0972 0.0670 0.0620 0.0071 0.0354 0.0221 203 TRP E CD2 8400 N NE1 . TRP E 203 ? 0.1227 0.0765 0.0803 -0.0024 0.0544 0.0076 203 TRP E NE1 8401 C CE2 . TRP E 203 ? 0.1093 0.0863 0.0642 0.0061 0.0441 0.0122 203 TRP E CE2 8402 C CE3 . TRP E 203 ? 0.1008 0.0942 0.0723 0.0264 0.0316 0.0189 203 TRP E CE3 8403 C CZ2 . TRP E 203 ? 0.1057 0.0853 0.0604 0.0202 0.0364 -0.0089 203 TRP E CZ2 8404 C CZ3 . TRP E 203 ? 0.1036 0.1311 0.0705 0.0417 0.0323 -0.0026 203 TRP E CZ3 8405 C CH2 . TRP E 203 ? 0.1044 0.1180 0.0533 0.0219 0.0328 0.0017 203 TRP E CH2 8406 N N . VAL E 204 ? 0.2799 0.3159 0.2683 -0.0283 0.0583 -0.0764 204 VAL E N 8407 C CA . VAL E 204 ? 0.3572 0.4349 0.3577 -0.0356 0.0636 -0.0631 204 VAL E CA 8408 C C . VAL E 204 ? 0.4070 0.5060 0.4118 -0.0494 0.0359 -0.0354 204 VAL E C 8409 O O . VAL E 204 ? 0.4214 0.5341 0.4343 -0.0563 0.0309 -0.0331 204 VAL E O 8410 C CB . VAL E 204 ? 0.3721 0.4668 0.3763 -0.0127 0.0792 -0.0763 204 VAL E CB 8411 C CG1 . VAL E 204 ? 0.3883 0.4794 0.3833 -0.0159 0.0874 -0.0800 204 VAL E CG1 8412 C CG2 . VAL E 204 ? 0.3671 0.4816 0.3780 -0.0124 0.0893 -0.0779 204 VAL E CG2 8413 O OXT . VAL E 204 ? 0.4279 0.5373 0.4247 -0.0504 0.0191 -0.0212 204 VAL E OXT 8414 C C1 . NAG F . ? 0.3099 0.3928 0.3189 0.0456 -0.0346 0.1401 205 NAG A C1 8415 C C2 . NAG F . ? 0.3622 0.4318 0.3610 0.0496 -0.0394 0.1633 205 NAG A C2 8416 C C3 . NAG F . ? 0.3929 0.4647 0.3906 0.0587 -0.0421 0.1652 205 NAG A C3 8417 C C4 . NAG F . ? 0.4024 0.4904 0.4119 0.0951 -0.0344 0.1534 205 NAG A C4 8418 C C5 . NAG F . ? 0.3896 0.4766 0.4083 0.1123 -0.0285 0.1442 205 NAG A C5 8419 C C6 . NAG F . ? 0.4080 0.4987 0.4313 0.1346 -0.0251 0.1253 205 NAG A C6 8420 C C7 . NAG F . ? 0.4194 0.4809 0.3863 0.0424 -0.0280 0.1584 205 NAG A C7 8421 C C8 . NAG F . ? 0.4243 0.4891 0.3899 0.0559 -0.0267 0.1583 205 NAG A C8 8422 N N2 . NAG F . ? 0.3903 0.4528 0.3701 0.0387 -0.0363 0.1694 205 NAG A N2 8423 O O3 . NAG F . ? 0.4043 0.4531 0.3958 0.0400 -0.0563 0.1843 205 NAG A O3 8424 O O4 . NAG F . ? 0.4250 0.5213 0.4255 0.0991 -0.0325 0.1562 205 NAG A O4 8425 O O5 . NAG F . ? 0.3460 0.4254 0.3693 0.0941 -0.0298 0.1552 205 NAG A O5 8426 O O6 . NAG F . ? 0.4172 0.5151 0.4445 0.1447 -0.0256 0.1138 205 NAG A O6 8427 O O7 . NAG F . ? 0.4304 0.4905 0.3955 0.0249 -0.0191 0.1447 205 NAG A O7 8428 CA CA . CA G . ? 0.1618 0.1354 0.1312 -0.0061 0.0254 -0.0464 206 CA A CA 8429 CA CA . CA H . ? 0.1896 0.1258 0.1770 0.0004 -0.0052 -0.0385 207 CA A CA 8430 O OXT . N7P I . ? 0.2039 0.1796 0.3488 0.0147 0.0280 -0.0347 208 N7P A OXT 8431 C C . N7P I . ? 0.2423 0.2336 0.3671 -0.0052 0.0201 -0.0450 208 N7P A C 8432 O O . N7P I . ? 0.2233 0.2600 0.3398 -0.0270 0.0154 -0.0444 208 N7P A O 8433 C CA . N7P I . ? 0.2935 0.2895 0.4117 0.0038 0.0147 -0.0451 208 N7P A CA 8434 N N . N7P I . ? 0.3247 0.3381 0.4378 0.0140 0.0203 -0.0351 208 N7P A N 8435 C C1 . N7P I . ? 0.3475 0.3909 0.4637 0.0121 0.0267 -0.0236 208 N7P A C1 8436 O O1 . N7P I . ? 0.3570 0.4278 0.4736 0.0017 0.0198 -0.0203 208 N7P A O1 8437 C C2 . N7P I . ? 0.3541 0.3977 0.4719 0.0189 0.0332 -0.0159 208 N7P A C2 8438 C CD . N7P I . ? 0.3261 0.3247 0.4345 0.0219 0.0167 -0.0388 208 N7P A CD 8439 C CG . N7P I . ? 0.3184 0.3153 0.4297 0.0130 0.0152 -0.0388 208 N7P A CG 8440 C CB . N7P I . ? 0.3106 0.2972 0.4225 0.0121 0.0126 -0.0425 208 N7P A CB 8441 C C1 . NAG J . ? 0.4476 0.4028 0.3120 0.0034 0.0517 0.1277 205 NAG B C1 8442 C C2 . NAG J . ? 0.4992 0.4684 0.3708 0.0036 0.0571 0.1293 205 NAG B C2 8443 C C3 . NAG J . ? 0.5171 0.4992 0.3924 -0.0015 0.0578 0.1347 205 NAG B C3 8444 C C4 . NAG J . ? 0.5288 0.5110 0.3972 0.0072 0.0600 0.1415 205 NAG B C4 8445 C C5 . NAG J . ? 0.5161 0.5022 0.3740 0.0116 0.0732 0.1495 205 NAG B C5 8446 C C6 . NAG J . ? 0.5103 0.5185 0.3550 0.0178 0.0966 0.1675 205 NAG B C6 8447 C C7 . NAG J . ? 0.5461 0.5238 0.4321 0.0062 0.0869 0.1286 205 NAG B C7 8448 C C8 . NAG J . ? 0.5558 0.5259 0.4399 -0.0021 0.0921 0.1278 205 NAG B C8 8449 N N2 . NAG J . ? 0.5255 0.4967 0.4055 0.0079 0.0705 0.1276 205 NAG B N2 8450 O O3 . NAG J . ? 0.5142 0.5129 0.4085 -0.0121 0.0607 0.1227 205 NAG B O3 8451 O O4 . NAG J . ? 0.5447 0.5176 0.4252 0.0055 0.0555 0.1280 205 NAG B O4 8452 O O5 . NAG J . ? 0.4932 0.4462 0.3457 0.0061 0.0583 0.1526 205 NAG B O5 8453 O O6 . NAG J . ? 0.4854 0.5142 0.3180 0.0110 0.1206 0.1913 205 NAG B O6 8454 O O7 . NAG J . ? 0.5527 0.5434 0.4477 0.0147 0.0919 0.1274 205 NAG B O7 8455 CA CA . CA K . ? 0.1285 0.0750 0.0705 0.0174 0.0413 -0.0001 206 CA B CA 8456 CA CA . CA L . ? 0.0929 0.0749 0.0405 0.0150 0.0143 -0.0013 207 CA B CA 8457 O OXT . N7P M . ? 0.1638 0.1329 0.0709 0.0045 -0.0163 -0.0052 208 N7P B OXT 8458 C C . N7P M . ? 0.2097 0.1817 0.1208 -0.0022 -0.0110 0.0081 208 N7P B C 8459 O O . N7P M . ? 0.1963 0.2086 0.1003 -0.0073 0.0082 -0.0158 208 N7P B O 8460 C CA . N7P M . ? 0.2885 0.2231 0.1780 0.0186 -0.0101 0.0163 208 N7P B CA 8461 N N . N7P M . ? 0.3246 0.2502 0.2042 0.0171 -0.0102 -0.0001 208 N7P B N 8462 C C1 . N7P M . ? 0.3554 0.2895 0.2138 0.0170 -0.0117 -0.0180 208 N7P B C1 8463 O O1 . N7P M . ? 0.3798 0.3475 0.2249 0.0155 -0.0033 -0.0061 208 N7P B O1 8464 C C2 . N7P M . ? 0.3609 0.2602 0.2174 -0.0012 -0.0203 -0.0294 208 N7P B C2 8465 C CD . N7P M . ? 0.3224 0.2431 0.2125 0.0310 -0.0068 0.0106 208 N7P B CD 8466 C CG . N7P M . ? 0.3167 0.2432 0.1971 0.0338 -0.0111 0.0081 208 N7P B CG 8467 C CB . N7P M . ? 0.3091 0.2410 0.1956 0.0268 -0.0120 0.0052 208 N7P B CB 8468 C C1 . NAG N . ? 0.1904 0.3924 0.4282 -0.0697 0.0009 -0.1394 205 NAG C C1 8469 C C2 . NAG N . ? 0.2247 0.4419 0.4983 -0.0860 -0.0077 -0.1634 205 NAG C C2 8470 C C3 . NAG N . ? 0.2382 0.4728 0.5231 -0.0954 -0.0171 -0.1687 205 NAG C C3 8471 C C4 . NAG N . ? 0.2492 0.4977 0.5344 -0.0910 -0.0147 -0.1559 205 NAG C C4 8472 C C5 . NAG N . ? 0.2478 0.4998 0.5249 -0.0897 -0.0048 -0.1352 205 NAG C C5 8473 C C6 . NAG N . ? 0.2774 0.5418 0.5498 -0.0744 0.0068 -0.1200 205 NAG C C6 8474 C C7 . NAG N . ? 0.2938 0.5230 0.5718 -0.0934 -0.0065 -0.1616 205 NAG C C7 8475 C C8 . NAG N . ? 0.2942 0.5170 0.5768 -0.0982 -0.0143 -0.1670 205 NAG C C8 8476 N N2 . NAG N . ? 0.2554 0.4767 0.5362 -0.0875 -0.0108 -0.1735 205 NAG C N2 8477 O O3 . NAG N . ? 0.2422 0.4722 0.5339 -0.1031 -0.0164 -0.1792 205 NAG C O3 8478 O O4 . NAG N . ? 0.2529 0.5080 0.5416 -0.0813 -0.0253 -0.1665 205 NAG C O4 8479 O O5 . NAG N . ? 0.2186 0.4464 0.4811 -0.0966 -0.0026 -0.1372 205 NAG C O5 8480 O O6 . NAG N . ? 0.3002 0.5570 0.5654 -0.0668 0.0163 -0.1062 205 NAG C O6 8481 O O7 . NAG N . ? 0.3168 0.5541 0.5889 -0.0885 0.0018 -0.1549 205 NAG C O7 8482 CA CA . CA O . ? 0.1495 0.0661 0.0930 0.0217 0.0149 0.0020 206 CA C CA 8483 CA CA . CA P . ? 0.1766 0.0721 0.1409 0.0115 -0.0044 0.0041 207 CA C CA 8484 O OXT . N7P Q . ? 0.1918 0.0920 0.1494 0.0047 0.0536 -0.0062 208 N7P C OXT 8485 C C . N7P Q . ? 0.2205 0.1160 0.1881 -0.0155 0.0371 -0.0133 208 N7P C C 8486 O O . N7P Q . ? 0.2083 0.1701 0.1817 -0.0075 -0.0001 -0.0150 208 N7P C O 8487 C CA . N7P Q . ? 0.2738 0.1521 0.2393 -0.0236 0.0548 -0.0041 208 N7P C CA 8488 N N . N7P Q . ? 0.2999 0.1783 0.2632 -0.0199 0.0785 -0.0136 208 N7P C N 8489 C C1 . N7P Q . ? 0.3085 0.2105 0.2926 -0.0080 0.1038 -0.0156 208 N7P C C1 8490 O O1 . N7P Q . ? 0.3218 0.2467 0.3097 -0.0132 0.1059 -0.0128 208 N7P C O1 8491 C C2 . N7P Q . ? 0.3123 0.2118 0.3025 -0.0100 0.1163 -0.0248 208 N7P C C2 8492 C CD . N7P Q . ? 0.2995 0.1826 0.2617 -0.0341 0.0723 -0.0025 208 N7P C CD 8493 C CG . N7P Q . ? 0.2909 0.1827 0.2567 -0.0303 0.0696 0.0057 208 N7P C CG 8494 C CB . N7P Q . ? 0.2972 0.1790 0.2523 -0.0220 0.0633 0.0117 208 N7P C CB 8495 C C1 . NAG R . ? 0.2686 0.2576 0.1376 0.0130 -0.0466 -0.0864 205 NAG D C1 8496 C C2 . NAG R . ? 0.3085 0.2740 0.1657 0.0383 -0.0413 -0.0928 205 NAG D C2 8497 C C3 . NAG R . ? 0.3357 0.3027 0.1893 0.0443 -0.0413 -0.1172 205 NAG D C3 8498 C C4 . NAG R . ? 0.3443 0.3135 0.1959 0.0208 -0.0468 -0.1100 205 NAG D C4 8499 C C5 . NAG R . ? 0.3360 0.3109 0.1992 -0.0018 -0.0409 -0.1010 205 NAG D C5 8500 C C6 . NAG R . ? 0.3700 0.3545 0.2354 -0.0104 -0.0181 -0.0788 205 NAG D C6 8501 C C7 . NAG R . ? 0.3440 0.3392 0.2155 0.0341 0.0085 -0.0553 205 NAG D C7 8502 C C8 . NAG R . ? 0.3428 0.3512 0.2287 0.0297 0.0183 -0.0414 205 NAG D C8 8503 N N2 . NAG R . ? 0.3209 0.2929 0.1796 0.0519 -0.0136 -0.0848 205 NAG D N2 8504 O O3 . NAG R . ? 0.3537 0.3071 0.2081 0.0627 -0.0339 -0.1341 205 NAG D O3 8505 O O4 . NAG R . ? 0.3598 0.3097 0.2028 0.0150 -0.0587 -0.1291 205 NAG D O4 8506 O O5 . NAG R . ? 0.2996 0.2664 0.1606 -0.0139 -0.0469 -0.1015 205 NAG D O5 8507 O O6 . NAG R . ? 0.3969 0.3855 0.2646 -0.0104 -0.0049 -0.0728 205 NAG D O6 8508 O O7 . NAG R . ? 0.3562 0.3554 0.2304 0.0265 0.0105 -0.0458 205 NAG D O7 8509 CA CA . CA S . ? 0.1647 0.0874 0.0840 -0.0144 0.0134 0.0060 206 CA D CA 8510 CA CA . CA T . ? 0.1129 0.0831 0.0579 -0.0142 0.0064 0.0157 207 CA D CA 8511 O OXT . N7P U . ? 0.2065 0.1148 0.1067 0.0016 -0.0352 0.0081 208 N7P D OXT 8512 C C . N7P U . ? 0.2551 0.1984 0.1499 0.0074 -0.0238 0.0101 208 N7P D C 8513 O O . N7P U . ? 0.2490 0.1869 0.1092 0.0526 -0.0197 -0.0019 208 N7P D O 8514 C CA . N7P U . ? 0.3147 0.2907 0.2264 -0.0281 -0.0227 0.0360 208 N7P D CA 8515 N N . N7P U . ? 0.3497 0.3327 0.2693 -0.0379 -0.0209 0.0466 208 N7P D N 8516 C C1 . N7P U . ? 0.3780 0.3780 0.3107 -0.0403 -0.0274 0.0379 208 N7P D C1 8517 O O1 . N7P U . ? 0.3958 0.4074 0.3224 -0.0324 -0.0385 0.0366 208 N7P D O1 8518 C C2 . N7P U . ? 0.3807 0.3700 0.3273 -0.0519 -0.0269 0.0286 208 N7P D C2 8519 C CD . N7P U . ? 0.3426 0.3254 0.2675 -0.0459 -0.0170 0.0550 208 N7P D CD 8520 C CG . N7P U . ? 0.3345 0.3126 0.2510 -0.0360 -0.0265 0.0609 208 N7P D CG 8521 C CB . N7P U . ? 0.3360 0.3128 0.2484 -0.0250 -0.0215 0.0489 208 N7P D CB 8522 C C1 . NAG V . ? 0.2744 0.1940 0.1776 0.0277 0.0369 -0.0051 205 NAG E C1 8523 C C2 . NAG V . ? 0.2931 0.2173 0.1908 0.0175 0.0186 -0.0012 205 NAG E C2 8524 C C3 . NAG V . ? 0.2810 0.2207 0.1870 0.0429 0.0149 -0.0163 205 NAG E C3 8525 C C4 . NAG V . ? 0.2827 0.2354 0.1680 0.0541 0.0162 -0.0255 205 NAG E C4 8526 C C5 . NAG V . ? 0.2856 0.2231 0.1828 0.0250 0.0333 -0.0134 205 NAG E C5 8527 C C6 . NAG V . ? 0.2979 0.2319 0.1985 0.0135 0.0329 -0.0004 205 NAG E C6 8528 C C7 . NAG V . ? 0.3420 0.2145 0.2240 -0.0213 0.0119 0.0134 205 NAG E C7 8529 C C8 . NAG V . ? 0.3478 0.2029 0.2456 -0.0330 -0.0027 0.0266 205 NAG E C8 8530 N N2 . NAG V . ? 0.3127 0.2037 0.2022 -0.0048 0.0021 0.0208 205 NAG E N2 8531 O O3 . NAG V . ? 0.2762 0.2219 0.1949 0.0492 -0.0024 -0.0111 205 NAG E O3 8532 O O4 . NAG V . ? 0.2748 0.2630 0.1483 0.0584 0.0053 -0.0265 205 NAG E O4 8533 O O5 . NAG V . ? 0.2735 0.2274 0.1816 0.0131 0.0472 -0.0202 205 NAG E O5 8534 O O6 . NAG V . ? 0.3059 0.2312 0.2069 -0.0024 0.0212 0.0128 205 NAG E O6 8535 O O7 . NAG V . ? 0.3613 0.2309 0.2119 -0.0229 0.0304 0.0106 205 NAG E O7 8536 CA CA . CA W . ? 0.1006 0.0804 0.0740 -0.0204 0.0306 -0.0291 206 CA E CA 8537 CA CA . CA X . ? 0.1057 0.0704 0.1276 -0.0304 0.0434 -0.0237 207 CA E CA 8538 O OXT . N7P Y . ? 0.1794 0.1252 0.1387 -0.0275 0.0615 -0.0109 208 N7P E OXT 8539 C C . N7P Y . ? 0.2450 0.2004 0.1791 -0.0121 0.0428 0.0019 208 N7P E C 8540 O O . N7P Y . ? 0.2075 0.1973 0.1404 0.0137 0.0604 0.0080 208 N7P E O 8541 C CA . N7P Y . ? 0.3280 0.2753 0.2658 -0.0393 0.0312 -0.0075 208 N7P E CA 8542 N N . N7P Y . ? 0.3711 0.3221 0.3131 -0.0628 0.0209 0.0029 208 N7P E N 8543 C C1 . N7P Y . ? 0.3986 0.3842 0.3485 -0.0715 0.0096 0.0183 208 N7P E C1 8544 O O1 . N7P Y . ? 0.4175 0.4271 0.3713 -0.0553 0.0093 0.0177 208 N7P E O1 8545 C C2 . N7P Y . ? 0.4003 0.3757 0.3516 -0.0902 -0.0061 0.0253 208 N7P E C2 8546 C CD . N7P Y . ? 0.3740 0.3120 0.3140 -0.0570 0.0209 -0.0010 208 N7P E CD 8547 C CG . N7P Y . ? 0.3650 0.2876 0.3022 -0.0475 0.0299 0.0017 208 N7P E CG 8548 C CB . N7P Y . ? 0.3563 0.2824 0.2905 -0.0437 0.0295 -0.0012 208 N7P E CB 8549 O O . HOH Z . ? 0.5270 0.4658 0.5030 0.0290 0.0245 0.0654 2001 HOH A O 8550 O O . HOH Z . ? 0.4769 0.4276 0.3162 -0.1249 -0.1329 0.0598 2002 HOH A O 8551 O O . HOH Z . ? 0.5165 0.5239 0.4043 -0.0280 -0.0164 0.0748 2003 HOH A O 8552 O O . HOH Z . ? 0.3759 0.3424 0.3782 0.0372 -0.0017 -0.0093 2004 HOH A O 8553 O O . HOH Z . ? 0.5855 0.3294 0.6103 -0.1637 0.0493 0.1722 2005 HOH A O 8554 O O . HOH Z . ? 0.4635 0.5649 0.6226 -0.1510 0.0456 0.0776 2006 HOH A O 8555 O O . HOH Z . ? 0.4351 0.6309 0.6608 -0.0786 -0.1181 -0.0264 2007 HOH A O 8556 O O . HOH Z . ? 0.4562 0.5128 0.5562 -0.0371 0.0857 0.1358 2008 HOH A O 8557 O O . HOH Z . ? 0.2200 0.3470 0.3487 -0.1215 0.0860 0.0475 2009 HOH A O 8558 O O . HOH Z . ? 0.1896 0.3766 0.1879 -0.1189 -0.0131 -0.0351 2010 HOH A O 8559 O O . HOH Z . ? 0.4230 0.4682 0.4885 -0.0629 -0.0601 0.0401 2011 HOH A O 8560 O O . HOH Z . ? 0.3174 0.2377 0.2520 -0.0797 -0.0153 0.0708 2012 HOH A O 8561 O O . HOH Z . ? 0.2388 0.1402 0.1327 -0.0724 -0.0079 0.0501 2013 HOH A O 8562 O O . HOH Z . ? 0.3578 0.5164 0.4038 -0.1124 -0.0311 0.1189 2014 HOH A O 8563 O O . HOH Z . ? 0.3441 0.2998 0.4314 -0.0374 0.0965 0.1490 2015 HOH A O 8564 O O . HOH Z . ? 0.4145 0.4055 0.3800 0.0757 -0.1437 0.0046 2016 HOH A O 8565 O O . HOH Z . ? 0.2331 0.2357 0.1990 0.0042 -0.0045 0.0607 2017 HOH A O 8566 O O . HOH Z . ? 0.5376 0.4189 0.4922 0.0444 -0.0437 -0.0461 2018 HOH A O 8567 O O . HOH Z . ? 0.5342 0.5083 0.5654 0.2243 0.1859 -0.0816 2019 HOH A O 8568 O O . HOH Z . ? 0.4133 0.3473 0.3737 -0.0276 -0.0026 0.0021 2020 HOH A O 8569 O O . HOH Z . ? 0.4696 0.3840 0.5319 -0.0193 -0.1677 -0.0726 2021 HOH A O 8570 O O . HOH Z . ? 0.2985 0.5623 0.2521 0.1495 0.0607 -0.0610 2022 HOH A O 8571 O O . HOH Z . ? 0.2809 0.3861 0.4864 -0.1055 -0.0503 0.0458 2023 HOH A O 8572 O O . HOH Z . ? 0.2811 0.1407 0.1183 0.0246 -0.0045 -0.0132 2024 HOH A O 8573 O O . HOH Z . ? 0.2879 0.1637 0.1441 -0.0157 -0.0262 0.0420 2025 HOH A O 8574 O O . HOH Z . ? 0.1726 0.1884 0.1314 0.0164 0.0145 0.0034 2026 HOH A O 8575 O O . HOH Z . ? 0.3461 0.2853 0.4977 -0.0229 -0.1009 -0.0050 2027 HOH A O 8576 O O . HOH Z . ? 0.4068 0.4027 0.3962 0.0204 -0.0338 -0.0011 2028 HOH A O 8577 O O . HOH Z . ? 0.2944 0.3090 0.1638 0.0008 -0.0226 0.0486 2029 HOH A O 8578 O O . HOH Z . ? 0.4170 0.3950 0.3185 0.1042 -0.1476 0.0815 2030 HOH A O 8579 O O . HOH Z . ? 0.4071 0.4352 0.4922 0.1401 -0.0443 0.0543 2031 HOH A O 8580 O O . HOH Z . ? 0.4897 0.3108 0.4147 -0.0210 -0.0950 0.0948 2032 HOH A O 8581 O O . HOH Z . ? 0.4903 0.4314 0.3808 -0.0726 -0.0420 0.0852 2033 HOH A O 8582 O O . HOH Z . ? 0.5363 0.5018 0.2549 0.0131 -0.1880 -0.0251 2034 HOH A O 8583 O O . HOH Z . ? 0.4011 0.3927 0.3967 -0.0023 -0.0264 0.0153 2035 HOH A O 8584 O O . HOH Z . ? 0.2556 0.2527 0.3443 0.1001 -0.0209 -0.0463 2036 HOH A O 8585 O O . HOH Z . ? 0.5277 0.4423 0.3379 0.2535 -0.0739 -0.1343 2037 HOH A O 8586 O O . HOH Z . ? 0.4247 0.4460 0.3608 -0.0177 0.0194 0.0714 2038 HOH A O 8587 O O . HOH Z . ? 0.6819 0.5182 0.6448 -0.1356 0.1345 0.2681 2039 HOH A O 8588 O O . HOH Z . ? 0.5834 0.6421 0.4750 -0.0405 0.0447 0.0142 2040 HOH A O 8589 O O . HOH Z . ? 0.4822 0.4241 0.3327 0.1353 0.1454 0.0199 2041 HOH A O 8590 O O . HOH Z . ? 0.1865 0.1552 0.1213 0.0127 0.0046 -0.0228 2042 HOH A O 8591 O O . HOH Z . ? 0.3112 0.4432 0.2136 0.0628 0.0304 -0.0268 2043 HOH A O 8592 O O . HOH Z . ? 0.4573 0.4425 0.3846 -0.0019 -0.0565 -0.1730 2044 HOH A O 8593 O O . HOH Z . ? 0.4083 0.4356 0.4043 -0.1038 -0.1447 -0.0515 2045 HOH A O 8594 O O . HOH Z . ? 0.5241 0.6719 0.2018 0.1650 -0.0253 0.0256 2046 HOH A O 8595 O O . HOH Z . ? 0.5254 0.4313 0.3351 -0.1857 0.0838 -0.1791 2047 HOH A O 8596 O O . HOH Z . ? 0.2009 0.3631 0.2685 -0.1060 0.0940 -0.1070 2048 HOH A O 8597 O O . HOH Z . ? 0.1330 0.3645 0.3618 -0.0101 0.0367 -0.1343 2049 HOH A O 8598 O O . HOH Z . ? 0.3803 0.4633 0.3291 -0.0810 -0.1339 0.1841 2050 HOH A O 8599 O O . HOH Z . ? 0.2529 0.4530 0.2161 0.1781 0.0136 0.0159 2051 HOH A O 8600 O O . HOH Z . ? 0.4912 0.4811 0.4051 -0.0349 -0.2194 -0.0833 2052 HOH A O 8601 O O . HOH Z . ? 0.2290 0.1870 0.2830 0.0250 0.0707 0.0861 2053 HOH A O 8602 O O . HOH Z . ? 0.3378 0.2202 0.3647 0.1114 0.0618 0.0269 2054 HOH A O 8603 O O . HOH Z . ? 0.1858 0.4062 0.1591 -0.1003 0.0481 -0.0461 2055 HOH A O 8604 O O . HOH Z . ? 0.2043 0.1759 0.0986 -0.0708 -0.0266 0.0453 2056 HOH A O 8605 O O . HOH Z . ? 0.3216 0.3144 0.2091 0.0424 -0.0757 -0.0013 2057 HOH A O 8606 O O . HOH Z . ? 0.5385 0.5376 0.5553 -0.1401 0.0184 -0.0512 2058 HOH A O 8607 O O . HOH Z . ? 0.3676 0.4400 0.4961 0.0472 0.0447 -0.0361 2059 HOH A O 8608 O O . HOH Z . ? 0.3879 0.4102 0.3971 -0.0104 -0.0126 0.0083 2060 HOH A O 8609 O O . HOH Z . ? 0.4373 0.4014 0.4578 -0.0330 0.0747 -0.0249 2061 HOH A O 8610 O O . HOH Z . ? 0.2225 0.3532 0.2756 -0.0867 -0.0774 0.1522 2062 HOH A O 8611 O O . HOH Z . ? 0.5767 0.5719 0.6011 -0.0036 0.0033 -0.0418 2063 HOH A O 8612 O O . HOH Z . ? 0.1405 0.1117 0.1284 -0.0281 0.0484 0.0230 2064 HOH A O 8613 O O . HOH Z . ? 0.4333 0.6342 0.3468 0.0266 -0.1307 0.0034 2065 HOH A O 8614 O O . HOH Z . ? 0.6056 0.6375 0.6678 -0.0392 0.0250 0.0211 2066 HOH A O 8615 O O . HOH Z . ? 0.4219 0.4475 0.2344 -0.1510 0.0312 0.1130 2067 HOH A O 8616 O O . HOH Z . ? 0.2369 0.1864 0.4368 -0.0619 0.1646 -0.1105 2068 HOH A O 8617 O O . HOH Z . ? 0.1867 0.5142 0.4489 -0.0235 0.0978 0.0528 2069 HOH A O 8618 O O . HOH Z . ? 0.0891 0.1396 0.1670 0.0175 0.0303 0.0053 2070 HOH A O 8619 O O . HOH Z . ? 0.3026 0.3192 0.2926 0.0396 -0.0739 0.0110 2071 HOH A O 8620 O O . HOH Z . ? 0.1592 0.1346 0.1317 0.0472 0.0338 0.0497 2072 HOH A O 8621 O O . HOH Z . ? 0.1671 0.1974 0.1297 0.0301 0.0254 0.0146 2073 HOH A O 8622 O O . HOH Z . ? 0.1872 0.2071 0.1570 -0.0109 -0.0029 0.0011 2074 HOH A O 8623 O O . HOH Z . ? 0.1049 0.1632 0.1102 0.0277 0.0368 0.0048 2075 HOH A O 8624 O O . HOH Z . ? 0.2772 0.2240 0.2209 0.0766 0.0104 0.0831 2076 HOH A O 8625 O O . HOH Z . ? 0.2213 0.2110 0.1931 -0.0046 -0.0111 -0.0010 2077 HOH A O 8626 O O . HOH Z . ? 0.1513 0.1502 0.0583 -0.0173 -0.0020 0.0368 2078 HOH A O 8627 O O . HOH Z . ? 0.2317 0.2249 0.1130 0.0602 0.0135 0.0595 2079 HOH A O 8628 O O . HOH Z . ? 0.2195 0.2212 0.2141 0.0155 0.0363 0.0453 2080 HOH A O 8629 O O . HOH Z . ? 0.2750 0.2379 0.1812 0.1111 -0.0197 0.0546 2081 HOH A O 8630 O O . HOH Z . ? 0.3403 0.4259 0.3799 -0.0827 -0.0237 -0.0157 2082 HOH A O 8631 O O . HOH Z . ? 0.5829 0.5749 0.5066 -0.0264 0.1373 0.2639 2083 HOH A O 8632 O O . HOH Z . ? 0.1637 0.2412 0.2581 0.0570 0.0588 0.0741 2084 HOH A O 8633 O O . HOH Z . ? 0.4178 0.1735 0.4623 -0.1067 -0.0592 0.0323 2085 HOH A O 8634 O O . HOH Z . ? 0.3362 0.1317 0.1847 0.0255 -0.0200 0.0204 2086 HOH A O 8635 O O . HOH Z . ? 0.1698 0.1630 0.1019 0.0280 0.0065 -0.0125 2087 HOH A O 8636 O O . HOH Z . ? 0.1429 0.1806 0.1154 0.0428 0.0525 0.0241 2088 HOH A O 8637 O O . HOH Z . ? 0.3156 0.3096 0.2203 0.0952 0.0066 0.0126 2089 HOH A O 8638 O O . HOH Z . ? 0.4560 0.4545 0.4710 0.2132 0.0441 -0.0088 2090 HOH A O 8639 O O . HOH Z . ? 0.1448 0.1349 0.1379 -0.0492 0.0418 -0.0476 2091 HOH A O 8640 O O . HOH Z . ? 0.4552 0.4448 0.4297 -0.1246 0.1432 0.0342 2092 HOH A O 8641 O O . HOH Z . ? 0.2607 0.3607 0.2148 0.0532 0.0156 -0.0924 2093 HOH A O 8642 O O . HOH Z . ? 0.5669 0.5690 0.5663 -0.0316 0.0279 -0.0517 2094 HOH A O 8643 O O . HOH Z . ? 0.3873 0.4028 0.1321 0.0145 -0.0051 -0.0349 2095 HOH A O 8644 O O . HOH Z . ? 0.5698 0.6372 0.4204 -0.1092 0.2137 -0.2123 2096 HOH A O 8645 O O . HOH Z . ? 0.4655 0.5601 0.5542 0.0738 0.0220 -0.0384 2097 HOH A O 8646 O O . HOH Z . ? 0.3190 0.4590 0.2872 0.0292 0.0540 -0.1116 2098 HOH A O 8647 O O . HOH Z . ? 0.4388 0.5411 0.5294 -0.0227 0.1593 0.0029 2099 HOH A O 8648 O O . HOH Z . ? 0.4091 0.3531 0.5154 -0.0483 0.0725 -0.1057 2100 HOH A O 8649 O O . HOH Z . ? 0.4561 0.3117 0.5898 -0.1003 0.0654 0.0891 2101 HOH A O 8650 O O . HOH Z . ? 0.2140 0.3522 0.4662 -0.1129 -0.0166 0.1259 2102 HOH A O 8651 O O . HOH Z . ? 0.3533 0.5047 0.5065 0.1048 -0.0101 -0.0065 2103 HOH A O 8652 O O . HOH Z . ? 0.2780 0.2681 0.2463 -0.0717 -0.0030 -0.1361 2104 HOH A O 8653 O O . HOH Z . ? 0.3785 0.4665 0.4699 -0.2230 0.0181 -0.0040 2105 HOH A O 8654 O O . HOH Z . ? 0.2931 0.2707 0.2923 -0.1082 0.0117 -0.0158 2106 HOH A O 8655 O O . HOH Z . ? 0.4946 0.4258 0.4114 0.0572 0.0139 0.0177 2107 HOH A O 8656 O O . HOH Z . ? 0.2686 0.2799 0.1966 -0.0700 0.0140 0.1168 2108 HOH A O 8657 O O . HOH Z . ? 0.2113 0.2469 0.1272 0.0541 0.0327 0.0220 2109 HOH A O 8658 O O . HOH Z . ? 0.4131 0.1981 0.4167 -0.0601 -0.0493 0.1180 2110 HOH A O 8659 O O . HOH Z . ? 0.4456 0.5744 0.3302 0.0533 0.0572 0.1099 2111 HOH A O 8660 O O . HOH Z . ? 0.5010 0.5910 0.5689 0.0473 0.2752 0.1937 2112 HOH A O 8661 O O . HOH Z . ? 0.3310 0.7542 0.2497 -0.1702 -0.0413 -0.0433 2113 HOH A O 8662 O O . HOH Z . ? 0.2375 0.2776 0.2809 0.0048 0.0706 0.0299 2114 HOH A O 8663 O O . HOH Z . ? 0.2816 0.3640 0.3752 -0.0149 0.1668 -0.0054 2115 HOH A O 8664 O O . HOH Z . ? 0.5466 0.5983 0.5819 0.1275 0.0920 0.0029 2116 HOH A O 8665 O O . HOH Z . ? 0.5135 0.5055 0.4450 0.1168 0.0789 -0.0315 2117 HOH A O 8666 O O . HOH Z . ? 0.5577 0.6101 0.6141 -0.0465 -0.0637 0.0193 2118 HOH A O 8667 O O . HOH Z . ? 0.4193 0.3707 0.8927 -0.0327 0.1919 0.1769 2119 HOH A O 8668 O O . HOH Z . ? 0.3412 0.1657 0.4845 0.0364 -0.0381 0.0944 2120 HOH A O 8669 O O . HOH Z . ? 0.5570 0.6052 0.6009 0.0294 -0.0189 0.0221 2121 HOH A O 8670 O O . HOH Z . ? 0.2854 0.5208 0.7273 -0.0288 0.1898 0.0362 2122 HOH A O 8671 O O . HOH Z . ? 0.2860 0.2773 0.4327 0.0098 0.0048 0.0640 2123 HOH A O 8672 O O . HOH Z . ? 0.2668 0.6516 0.4272 -0.0033 0.1059 -0.1358 2124 HOH A O 8673 O O . HOH Z . ? 0.5034 0.3962 0.2521 -0.2022 -0.0588 -0.0554 2125 HOH A O 8674 O O . HOH Z . ? 0.5303 0.5165 0.4997 -0.0266 0.0018 0.0052 2126 HOH A O 8675 O O . HOH Z . ? 0.4794 0.4479 0.3887 -0.1169 0.1062 0.1721 2127 HOH A O 8676 O O . HOH Z . ? 0.2354 0.4935 0.2687 0.0041 0.0100 0.1852 2128 HOH A O 8677 O O . HOH Z . ? 0.4598 0.4817 0.5620 -0.0504 0.0720 0.0823 2129 HOH A O 8678 O O . HOH Z . ? 0.4402 0.3662 0.4460 -0.0354 0.0406 0.1039 2130 HOH A O 8679 O O . HOH Z . ? 0.3368 0.4027 0.4840 -0.1426 -0.1096 -0.1236 2131 HOH A O 8680 O O . HOH Z . ? 0.4227 0.4309 0.3057 0.0200 0.1166 -0.1708 2132 HOH A O 8681 O O . HOH Z . ? 0.1887 0.1266 0.2267 -0.0287 0.0006 -0.0416 2133 HOH A O 8682 O O . HOH Z . ? 0.3789 0.3713 0.2700 -0.0682 0.0408 -0.1662 2134 HOH A O 8683 O O . HOH Z . ? 0.2934 0.4116 0.2475 0.0506 -0.0789 -0.0635 2135 HOH A O 8684 O O . HOH Z . ? 0.4071 0.2874 0.3382 -0.1889 0.0740 -0.0702 2136 HOH A O 8685 O O . HOH Z . ? 0.2297 0.1937 0.2440 -0.0308 0.0276 -0.0337 2137 HOH A O 8686 O O . HOH Z . ? 0.7888 0.2063 0.4647 -0.0255 0.0695 -0.0287 2138 HOH A O 8687 O O . HOH Z . ? 0.1809 0.3216 0.1762 -0.1082 0.0681 -0.0911 2139 HOH A O 8688 O O . HOH Z . ? 0.2580 0.4701 0.2355 -0.0129 0.0479 0.1493 2140 HOH A O 8689 O O . HOH Z . ? 0.3654 0.2226 0.3206 -0.1003 0.1429 -0.1016 2141 HOH A O 8690 O O . HOH Z . ? 0.1645 0.1560 0.2405 0.0000 0.0919 0.0166 2142 HOH A O 8691 O O . HOH Z . ? 0.1036 0.1409 0.0923 -0.0134 0.0181 0.0500 2143 HOH A O 8692 O O . HOH Z . ? 0.1559 0.1230 0.1114 0.0289 -0.0027 -0.0344 2144 HOH A O 8693 O O . HOH Z . ? 0.2696 0.3541 0.2681 0.0488 -0.0571 -0.1209 2145 HOH A O 8694 O O . HOH Z . ? 0.2834 0.2617 0.1774 0.1527 -0.0823 -0.0800 2146 HOH A O 8695 O O . HOH Z . ? 0.3248 0.4000 0.2145 -0.0306 0.0367 -0.0062 2147 HOH A O 8696 O O . HOH Z . ? 0.3540 0.4857 0.4511 0.0351 0.0164 -0.0224 2148 HOH A O 8697 O O . HOH Z . ? 0.5710 0.8202 0.2195 0.0409 0.0562 0.0391 2149 HOH A O 8698 O O . HOH Z . ? 0.2665 0.2918 0.1823 -0.0681 -0.0104 0.0578 2150 HOH A O 8699 O O . HOH Z . ? 0.2950 0.2938 0.1925 0.0751 0.0161 0.0228 2151 HOH A O 8700 O O . HOH Z . ? 0.2691 0.3414 0.1722 0.0363 0.0144 -0.0368 2152 HOH A O 8701 O O . HOH Z . ? 0.2989 0.5371 0.2370 0.0942 0.0846 -0.0006 2153 HOH A O 8702 O O . HOH Z . ? 0.4416 0.4033 0.1891 0.0047 0.0524 0.1287 2154 HOH A O 8703 O O . HOH Z . ? 0.4567 0.5595 0.4443 -0.0048 -0.0741 -0.1094 2155 HOH A O 8704 O O . HOH Z . ? 0.2789 0.2894 0.1699 0.1365 0.0669 0.0937 2156 HOH A O 8705 O O . HOH Z . ? 0.2924 0.3607 0.2839 0.0459 0.0454 -0.1459 2157 HOH A O 8706 O O . HOH Z . ? 0.3269 0.3159 0.4319 -0.0454 -0.1160 -0.0217 2158 HOH A O 8707 O O . HOH Z . ? 0.1869 0.3098 0.1043 0.0514 0.0213 0.0596 2159 HOH A O 8708 O O . HOH Z . ? 0.1097 0.0796 0.0904 -0.0233 0.0087 0.0091 2160 HOH A O 8709 O O . HOH Z . ? 0.1271 0.1529 0.1162 -0.0257 0.0278 0.0088 2161 HOH A O 8710 O O . HOH Z . ? 0.3352 0.1423 0.1587 0.0046 -0.0129 -0.0243 2162 HOH A O 8711 O O . HOH Z . ? 0.3869 0.4744 0.3002 0.1681 0.0225 0.1618 2163 HOH A O 8712 O O . HOH Z . ? 0.4624 0.5487 0.2114 -0.1740 -0.0898 0.0053 2164 HOH A O 8713 O O . HOH Z . ? 0.4364 0.6705 0.3249 0.2426 0.1411 0.1746 2165 HOH A O 8714 O O . HOH Z . ? 0.3539 0.1600 0.3357 -0.0315 0.0209 0.0824 2166 HOH A O 8715 O O . HOH Z . ? 0.1751 0.2397 0.1690 -0.0244 -0.0135 -0.0104 2167 HOH A O 8716 O O . HOH Z . ? 0.5042 0.2197 0.2074 0.0406 -0.1436 -0.0316 2168 HOH A O 8717 O O . HOH Z . ? 0.1594 0.2968 0.2168 -0.0090 0.0160 0.0503 2169 HOH A O 8718 O O . HOH Z . ? 0.1847 0.2526 0.1210 0.0274 -0.0093 0.0166 2170 HOH A O 8719 O O . HOH Z . ? 0.3639 0.4289 0.3383 -0.1332 0.0730 0.0794 2171 HOH A O 8720 O O . HOH Z . ? 0.4123 0.4876 0.3631 -0.0402 0.0899 0.0108 2172 HOH A O 8721 O O . HOH Z . ? 0.4969 0.4786 0.4406 -0.0219 -0.0168 -0.0213 2173 HOH A O 8722 O O . HOH Z . ? 0.3520 0.2726 0.4317 0.0157 0.0445 -0.1626 2174 HOH A O 8723 O O . HOH Z . ? 0.2963 0.2489 0.2833 -0.0334 0.1018 -0.0468 2175 HOH A O 8724 O O . HOH Z . ? 0.1236 0.0814 0.1343 0.0119 0.0397 0.0177 2176 HOH A O 8725 O O . HOH Z . ? 0.1158 0.1147 0.1419 -0.0112 -0.0205 0.0552 2177 HOH A O 8726 O O . HOH Z . ? 0.2471 0.1677 0.1649 -0.0426 0.0224 0.0168 2178 HOH A O 8727 O O . HOH Z . ? 0.2229 0.1987 0.5067 -0.0524 0.0837 0.0115 2179 HOH A O 8728 O O . HOH Z . ? 0.2161 0.1794 0.0846 -0.0007 0.0301 -0.0243 2180 HOH A O 8729 O O . HOH Z . ? 0.3083 0.3910 0.4681 0.0473 -0.1964 -0.1284 2181 HOH A O 8730 O O . HOH Z . ? 0.4817 0.4317 0.4187 0.0082 -0.0330 0.0449 2182 HOH A O 8731 O O . HOH Z . ? 0.4930 0.2749 0.3170 -0.1348 0.0646 0.0339 2183 HOH A O 8732 O O . HOH Z . ? 0.5898 0.5287 0.6570 -0.1133 0.1030 0.0184 2184 HOH A O 8733 O O . HOH Z . ? 0.3034 0.4015 0.7949 -0.0640 0.0514 -0.1657 2185 HOH A O 8734 O O . HOH Z . ? 0.3138 0.4020 0.2998 -0.0210 0.0831 -0.0148 2186 HOH A O 8735 O O . HOH Z . ? 0.3216 0.5770 0.3000 0.1168 -0.0351 0.1674 2187 HOH A O 8736 O O . HOH Z . ? 0.4367 0.3723 0.2711 -0.0282 0.0689 -0.1620 2188 HOH A O 8737 O O . HOH Z . ? 0.3727 0.3281 0.1663 -0.0424 0.0156 -0.1135 2189 HOH A O 8738 O O . HOH Z . ? 0.2489 0.5975 0.2306 -0.0137 -0.0343 -0.1438 2190 HOH A O 8739 O O . HOH Z . ? 0.4703 0.4547 0.2726 -0.1043 0.0407 -0.0821 2191 HOH A O 8740 O O . HOH Z . ? 0.5567 0.4702 0.2494 0.0021 -0.0293 -0.0469 2192 HOH A O 8741 O O . HOH Z . ? 0.5688 0.6492 0.2525 0.0224 0.1805 -0.0523 2193 HOH A O 8742 O O . HOH Z . ? 0.1691 0.1034 0.1740 0.0250 0.0197 -0.0232 2194 HOH A O 8743 O O . HOH Z . ? 0.2307 0.1368 0.1712 -0.0344 0.0398 -0.0413 2195 HOH A O 8744 O O . HOH Z . ? 0.2561 0.1628 0.3146 0.0002 -0.0368 -0.0227 2196 HOH A O 8745 O O . HOH Z . ? 0.3641 0.2317 0.5214 0.0067 -0.0212 -0.0667 2197 HOH A O 8746 O O . HOH Z . ? 0.4041 0.4840 0.4303 0.0725 0.1105 -0.1405 2198 HOH A O 8747 O O . HOH Z . ? 0.4029 0.4020 0.2487 0.0681 0.0051 -0.1674 2199 HOH A O 8748 O O . HOH Z . ? 0.3615 0.4683 0.4969 0.0249 0.0272 -0.0409 2200 HOH A O 8749 O O . HOH Z . ? 0.3134 0.3098 0.3296 0.0981 0.0665 -0.1250 2201 HOH A O 8750 O O . HOH Z . ? 0.3202 0.5239 0.3271 0.1443 0.0915 -0.0374 2202 HOH A O 8751 O O . HOH Z . ? 0.6437 0.5901 0.6060 0.0036 0.0595 -0.0682 2203 HOH A O 8752 O O . HOH Z . ? 0.3817 0.1354 0.3493 0.0793 -0.0082 -0.0469 2204 HOH A O 8753 O O . HOH Z . ? 0.3411 0.4812 0.5362 -0.0707 0.0993 0.1465 2205 HOH A O 8754 O O . HOH Z . ? 0.2219 0.1970 0.0738 -0.0784 0.0008 0.0036 2206 HOH A O 8755 O O . HOH Z . ? 0.1854 0.1617 0.0873 -0.0079 -0.0118 0.0612 2207 HOH A O 8756 O O . HOH Z . ? 0.4552 0.2371 0.3488 -0.1073 -0.2038 0.0336 2208 HOH A O 8757 O O . HOH Z . ? 0.4870 0.4450 0.5509 -0.1044 0.0177 -0.0852 2209 HOH A O 8758 O O . HOH Z . ? 0.2558 0.2345 0.1695 -0.0299 -0.0545 0.0636 2210 HOH A O 8759 O O . HOH Z . ? 0.4005 0.3832 0.4214 0.1221 0.0029 0.0233 2211 HOH A O 8760 O O . HOH Z . ? 0.2311 0.3075 0.1574 0.0554 -0.0869 0.0293 2212 HOH A O 8761 O O . HOH Z . ? 0.3462 0.3851 0.4454 0.1175 -0.0109 -0.0366 2213 HOH A O 8762 O O . HOH Z . ? 0.4194 0.1516 0.4045 -0.0344 -0.0497 -0.0854 2214 HOH A O 8763 O O . HOH Z . ? 0.3128 0.1416 0.3419 -0.0160 -0.0824 0.0145 2215 HOH A O 8764 O O . HOH Z . ? 0.5570 0.5555 0.6231 0.1303 -0.0032 0.0193 2216 HOH A O 8765 O O . HOH Z . ? 0.5847 0.5809 0.5472 0.0167 -0.0025 0.0312 2217 HOH A O 8766 O O . HOH Z . ? 0.6897 0.6342 0.6648 -0.0179 0.0835 -0.0051 2218 HOH A O 8767 O O . HOH Z . ? 0.1173 0.1863 0.1252 -0.0374 0.0424 0.0102 2219 HOH A O 8768 O O . HOH Z . ? 0.5927 0.3353 0.4063 0.0683 -0.0760 0.1840 2220 HOH A O 8769 O O . HOH Z . ? 0.5489 0.5564 0.5894 0.1510 -0.0449 -0.0201 2221 HOH A O 8770 O O . HOH Z . ? 0.4472 0.5164 0.3922 0.0143 0.0230 -0.0157 2222 HOH A O 8771 O O . HOH Z . ? 0.5634 0.4405 0.3980 -0.0277 0.0998 0.0627 2223 HOH A O 8772 O O . HOH Z . ? 0.4826 0.5823 0.4962 0.0614 0.0656 -0.0583 2224 HOH A O 8773 O O . HOH Z . ? 0.5401 0.3008 0.7820 0.0767 -0.1960 0.0808 2225 HOH A O 8774 O O . HOH Z . ? 0.3892 0.2444 0.2796 -0.0376 0.0118 0.0443 2226 HOH A O 8775 O O . HOH Z . ? 0.3441 0.2922 0.2050 0.0521 0.0083 0.0372 2227 HOH A O 8776 O O . HOH Z . ? 0.4275 0.4587 0.3764 0.0482 -0.1070 0.0562 2228 HOH A O 8777 O O . HOH Z . ? 0.3534 0.5022 0.1643 0.1768 -0.0083 0.0297 2229 HOH A O 8778 O O . HOH Z . ? 0.3474 0.3201 0.2830 -0.1638 -0.0715 0.1292 2230 HOH A O 8779 O O . HOH Z . ? 0.2180 0.3833 0.2560 0.0080 0.0321 -0.0174 2231 HOH A O 8780 O O . HOH Z . ? 0.4157 0.4207 0.3253 -0.0986 0.1445 0.1237 2232 HOH A O 8781 O O . HOH Z . ? 0.4274 0.3737 0.3356 -0.0247 0.0183 0.2082 2233 HOH A O 8782 O O . HOH Z . ? 0.1708 0.2189 0.0853 -0.0349 0.0489 0.0001 2234 HOH A O 8783 O O . HOH Z . ? 0.2067 0.3070 0.2450 -0.0389 0.0793 0.1037 2235 HOH A O 8784 O O . HOH Z . ? 0.4416 0.2922 0.2308 -0.1680 0.0101 0.0676 2236 HOH A O 8785 O O . HOH Z . ? 0.2864 0.4730 0.4024 -0.0661 0.0788 0.1689 2237 HOH A O 8786 O O . HOH Z . ? 0.4232 0.5457 0.4859 0.1197 0.0479 0.0998 2238 HOH A O 8787 O O . HOH Z . ? 0.2763 0.6447 0.2905 -0.0850 0.0159 -0.0652 2239 HOH A O 8788 O O . HOH Z . ? 0.1778 0.4004 0.2514 -0.0630 0.0427 0.1073 2240 HOH A O 8789 O O . HOH Z . ? 0.5933 0.6249 0.6017 -0.0444 0.0388 -0.0038 2241 HOH A O 8790 O O . HOH Z . ? 0.3979 0.4710 0.3411 0.0974 0.1683 -0.1053 2242 HOH A O 8791 O O . HOH Z . ? 0.3274 0.4994 0.3803 -0.0147 0.0034 -0.0207 2243 HOH A O 8792 O O . HOH Z . ? 0.2610 0.5042 0.4577 0.1494 0.0971 0.2089 2244 HOH A O 8793 O O . HOH Z . ? 0.5175 0.4907 0.5529 0.2493 -0.0186 0.0996 2245 HOH A O 8794 O O . HOH Z . ? 0.1380 0.3372 0.1562 0.0305 -0.0231 0.0526 2246 HOH A O 8795 O O . HOH Z . ? 0.2226 0.4067 0.2287 -0.0571 0.0833 0.0324 2247 HOH A O 8796 O O . HOH Z . ? 0.1774 0.2327 0.2425 0.0045 0.1183 0.0276 2248 HOH A O 8797 O O . HOH Z . ? 0.2327 0.4332 0.5134 0.0060 -0.0268 0.0648 2249 HOH A O 8798 O O . HOH Z . ? 0.3075 0.3394 0.1443 -0.0492 -0.0717 0.0671 2250 HOH A O 8799 O O . HOH Z . ? 0.3777 0.2449 0.3592 0.0136 0.2195 0.0085 2251 HOH A O 8800 O O . HOH Z . ? 0.5555 0.5745 0.5877 -0.0484 0.0259 0.0232 2252 HOH A O 8801 O O . HOH Z . ? 0.2725 0.2354 0.3400 -0.0001 0.0221 -0.0657 2253 HOH A O 8802 O O . HOH Z . ? 0.3910 0.3703 0.3484 0.1184 0.0014 0.0652 2254 HOH A O 8803 O O . HOH Z . ? 0.3548 0.4236 0.2878 0.1957 0.0766 -0.0256 2255 HOH A O 8804 O O . HOH Z . ? 0.3312 0.3597 0.5067 -0.0601 0.0063 0.0071 2256 HOH A O 8805 O O . HOH Z . ? 0.5839 0.5668 0.6447 0.1064 -0.0175 -0.0551 2257 HOH A O 8806 O O . HOH AA . ? 0.3996 0.4459 0.4975 -0.0632 0.0656 -0.0709 2001 HOH B O 8807 O O . HOH AA . ? 0.4487 0.4149 0.5249 -0.0758 -0.0388 -0.0678 2002 HOH B O 8808 O O . HOH AA . ? 0.3337 0.3266 0.2842 -0.0626 -0.1301 -0.0997 2003 HOH B O 8809 O O . HOH AA . ? 0.2573 0.3194 0.1634 0.0092 -0.0046 -0.1054 2004 HOH B O 8810 O O . HOH AA . ? 0.4883 0.6567 0.3860 0.1737 -0.0941 0.0096 2005 HOH B O 8811 O O . HOH AA . ? 0.3879 0.4422 0.4535 -0.0441 0.0320 -0.0585 2006 HOH B O 8812 O O . HOH AA . ? 0.5277 0.3934 0.4608 0.0448 0.0159 0.1561 2007 HOH B O 8813 O O . HOH AA . ? 0.2441 0.1671 0.1529 -0.0173 0.0826 0.0061 2008 HOH B O 8814 O O . HOH AA . ? 0.5444 0.3743 0.5181 -0.1244 -0.1041 0.2313 2009 HOH B O 8815 O O . HOH AA . ? 0.4900 0.4725 0.4424 -0.2022 0.0064 0.1376 2010 HOH B O 8816 O O . HOH AA . ? 0.4316 0.3984 0.2824 -0.0784 0.1206 0.0139 2011 HOH B O 8817 O O . HOH AA . ? 0.5850 0.2356 0.3489 0.0576 0.1177 -0.0868 2012 HOH B O 8818 O O . HOH AA . ? 0.4688 0.5133 0.5741 -0.0632 -0.0814 0.2697 2013 HOH B O 8819 O O . HOH AA . ? 0.2636 0.4014 0.2282 0.0271 -0.0140 -0.0178 2014 HOH B O 8820 O O . HOH AA . ? 0.7689 0.3673 0.3653 -0.1495 -0.0882 -0.0774 2015 HOH B O 8821 O O . HOH AA . ? 0.4594 0.4730 0.4362 -0.1170 -0.1806 -0.1336 2016 HOH B O 8822 O O . HOH AA . ? 0.3060 0.3821 0.2380 -0.0272 0.1167 0.0456 2017 HOH B O 8823 O O . HOH AA . ? 0.4090 0.4111 0.4417 -0.0946 0.0064 0.0025 2018 HOH B O 8824 O O . HOH AA . ? 0.3117 0.4612 0.4354 0.0125 0.1164 0.0536 2019 HOH B O 8825 O O . HOH AA . ? 0.1702 0.1451 0.3036 0.0258 0.1135 0.0129 2020 HOH B O 8826 O O . HOH AA . ? 0.1658 0.2273 0.2316 -0.0367 0.1085 -0.0259 2021 HOH B O 8827 O O . HOH AA . ? 0.1932 0.1380 0.1277 0.0296 0.0806 0.0415 2022 HOH B O 8828 O O . HOH AA . ? 0.4332 0.4045 0.3799 0.0037 0.1698 0.1089 2023 HOH B O 8829 O O . HOH AA . ? 0.1443 0.3014 0.1682 -0.0301 0.0504 -0.0365 2024 HOH B O 8830 O O . HOH AA . ? 0.6006 0.2645 0.1922 -0.1289 0.0796 0.0036 2025 HOH B O 8831 O O . HOH AA . ? 0.3767 0.3912 0.3576 0.0170 0.0366 0.0159 2026 HOH B O 8832 O O . HOH AA . ? 0.2684 0.5933 0.3278 -0.0216 -0.0153 -0.0954 2027 HOH B O 8833 O O . HOH AA . ? 0.3628 0.5536 0.3024 0.0080 0.1695 -0.0818 2028 HOH B O 8834 O O . HOH AA . ? 0.2942 0.5051 0.2116 -0.1283 0.0683 -0.1310 2029 HOH B O 8835 O O . HOH AA . ? 0.3330 0.3757 0.5677 -0.1228 0.0330 0.0318 2030 HOH B O 8836 O O . HOH AA . ? 0.3976 0.3967 0.3916 -0.0229 -0.0061 -0.0150 2031 HOH B O 8837 O O . HOH AA . ? 0.1987 0.4841 0.3224 -0.0790 -0.0212 -0.1216 2032 HOH B O 8838 O O . HOH AA . ? 0.3513 0.3334 0.5132 -0.0337 -0.0832 0.1528 2033 HOH B O 8839 O O . HOH AA . ? 0.4360 0.3327 0.4368 0.0686 0.1395 0.1145 2034 HOH B O 8840 O O . HOH AA . ? 0.4651 0.4574 0.5485 -0.2369 -0.1829 0.0974 2035 HOH B O 8841 O O . HOH AA . ? 0.3921 0.3627 0.7660 -0.1372 -0.0572 0.1542 2036 HOH B O 8842 O O . HOH AA . ? 0.0989 0.1197 0.0727 0.0134 0.0192 0.0201 2037 HOH B O 8843 O O . HOH AA . ? 0.3077 0.3627 0.3773 0.1367 0.0102 -0.0353 2038 HOH B O 8844 O O . HOH AA . ? 0.3287 0.4160 0.5450 -0.0655 0.0530 -0.1130 2039 HOH B O 8845 O O . HOH AA . ? 0.4403 0.4268 0.2762 0.0454 0.0790 0.1303 2040 HOH B O 8846 O O . HOH AA . ? 0.3332 0.2718 0.4670 0.0561 -0.1236 -0.1826 2041 HOH B O 8847 O O . HOH AA . ? 0.5591 0.4111 0.3132 -0.0171 -0.1056 -0.0269 2042 HOH B O 8848 O O . HOH AA . ? 0.1891 0.1396 0.2247 0.0074 -0.0282 -0.0778 2043 HOH B O 8849 O O . HOH AA . ? 0.4350 0.3245 0.1614 0.0353 0.0543 0.0181 2044 HOH B O 8850 O O . HOH AA . ? 0.3567 0.2448 0.1832 0.0827 -0.1219 -0.0598 2045 HOH B O 8851 O O . HOH AA . ? 0.2167 0.2716 0.2510 -0.0748 -0.0077 0.0512 2046 HOH B O 8852 O O . HOH AA . ? 0.1746 0.2674 0.1587 0.0587 0.0453 0.0233 2047 HOH B O 8853 O O . HOH AA . ? 0.6378 0.6531 0.6169 -0.0013 -0.0014 0.0096 2048 HOH B O 8854 O O . HOH AA . ? 0.6144 0.6663 0.6378 -0.0279 -0.0406 -0.0397 2049 HOH B O 8855 O O . HOH AA . ? 0.1670 0.2259 0.2182 -0.0469 0.1013 0.0006 2050 HOH B O 8856 O O . HOH AA . ? 0.1826 0.3338 0.1461 -0.1055 0.0110 0.0522 2051 HOH B O 8857 O O . HOH AA . ? 0.3673 0.3434 0.2723 0.0337 0.0303 0.0261 2052 HOH B O 8858 O O . HOH AA . ? 0.1902 0.4713 0.3414 -0.0306 0.0788 0.0677 2053 HOH B O 8859 O O . HOH AA . ? 0.1675 0.2266 0.1753 -0.0380 0.0224 -0.0012 2054 HOH B O 8860 O O . HOH AA . ? 0.4963 0.6167 0.6269 -0.0362 0.1009 0.0592 2055 HOH B O 8861 O O . HOH AA . ? 0.6209 0.4563 0.5425 0.0362 0.0718 -0.0513 2056 HOH B O 8862 O O . HOH AA . ? 0.4250 0.4510 0.3926 -0.0229 0.0738 0.1125 2057 HOH B O 8863 O O . HOH AA . ? 0.5289 0.5539 0.3695 -0.1226 0.0923 0.0600 2058 HOH B O 8864 O O . HOH AA . ? 0.4852 0.4913 0.5020 -0.0227 -0.0517 -0.0111 2059 HOH B O 8865 O O . HOH AA . ? 0.1658 0.2531 0.2368 -0.0028 0.0163 -0.0280 2060 HOH B O 8866 O O . HOH AA . ? 0.2561 0.4312 0.3588 0.0210 0.1584 0.0559 2061 HOH B O 8867 O O . HOH AA . ? 0.2083 0.1745 0.1211 -0.0599 0.0702 0.0047 2062 HOH B O 8868 O O . HOH AA . ? 0.3293 0.3174 0.5379 0.0285 -0.1318 0.0124 2063 HOH B O 8869 O O . HOH AA . ? 0.4900 0.4641 0.4738 0.0523 -0.0010 0.0432 2064 HOH B O 8870 O O . HOH AA . ? 0.3112 0.3686 0.1439 -0.1000 0.0516 -0.0167 2065 HOH B O 8871 O O . HOH AA . ? 0.4536 0.4608 0.4078 0.0401 0.0036 -0.0895 2066 HOH B O 8872 O O . HOH AA . ? 0.5214 0.2654 0.4952 0.1314 -0.0751 -0.0219 2067 HOH B O 8873 O O . HOH AA . ? 0.1499 0.1372 0.1698 0.0002 -0.0659 0.0026 2068 HOH B O 8874 O O . HOH AA . ? 0.3717 0.2652 0.3463 0.0008 -0.1349 0.0295 2069 HOH B O 8875 O O . HOH AA . ? 0.3723 0.1427 0.4410 0.0050 -0.1324 -0.0356 2070 HOH B O 8876 O O . HOH AA . ? 0.6636 0.6087 0.6219 -0.0011 0.0383 -0.0003 2071 HOH B O 8877 O O . HOH AA . ? 0.1432 0.1396 0.0733 0.0063 -0.0301 0.0212 2072 HOH B O 8878 O O . HOH AA . ? 0.4193 0.3462 0.3251 0.0492 0.1421 0.0545 2073 HOH B O 8879 O O . HOH AA . ? 0.1488 0.1559 0.1023 -0.0014 0.0063 0.0079 2074 HOH B O 8880 O O . HOH AA . ? 0.1619 0.1688 0.1412 0.0482 0.0130 -0.0184 2075 HOH B O 8881 O O . HOH AA . ? 0.1762 0.1904 0.0890 0.0062 0.0048 0.0114 2076 HOH B O 8882 O O . HOH AA . ? 0.1116 0.1293 0.0711 0.0243 -0.0023 -0.0090 2077 HOH B O 8883 O O . HOH AA . ? 0.2073 0.1466 0.1433 -0.0052 0.0232 0.0007 2078 HOH B O 8884 O O . HOH AA . ? 0.3643 0.2648 0.2455 -0.0738 -0.0303 -0.0153 2079 HOH B O 8885 O O . HOH AA . ? 0.1931 0.1940 0.1143 0.0384 0.0227 -0.0234 2080 HOH B O 8886 O O . HOH AA . ? 0.1057 0.1278 0.0769 -0.0081 0.0270 -0.0429 2081 HOH B O 8887 O O . HOH AA . ? 0.4259 0.5448 0.4988 0.0504 0.0662 0.2026 2082 HOH B O 8888 O O . HOH AA . ? 0.4059 0.3109 0.1786 -0.1091 -0.0642 0.0006 2083 HOH B O 8889 O O . HOH AA . ? 0.1406 0.2086 0.0818 0.0246 0.0399 0.0233 2084 HOH B O 8890 O O . HOH AA . ? 0.2035 0.1954 0.1886 -0.0082 -0.0183 0.0677 2085 HOH B O 8891 O O . HOH AA . ? 0.1936 0.2279 0.1082 0.0049 0.0441 0.0653 2086 HOH B O 8892 O O . HOH AA . ? 0.2319 0.3301 0.2436 0.0247 -0.0082 -0.0724 2087 HOH B O 8893 O O . HOH AA . ? 0.2075 0.1645 0.1302 -0.0184 -0.0607 0.0448 2088 HOH B O 8894 O O . HOH AA . ? 0.4506 0.1997 0.3198 -0.1032 0.1234 -0.0915 2089 HOH B O 8895 O O . HOH AA . ? 0.2293 0.1330 0.2024 -0.0345 0.0550 -0.0104 2090 HOH B O 8896 O O . HOH AA . ? 0.5819 0.4096 0.5455 0.1103 -0.0446 0.0173 2091 HOH B O 8897 O O . HOH AA . ? 0.3174 0.2967 0.2590 0.0203 0.0484 -0.0012 2092 HOH B O 8898 O O . HOH AA . ? 0.0854 0.1662 0.1070 0.0048 -0.0194 0.0645 2093 HOH B O 8899 O O . HOH AA . ? 0.1098 0.1093 0.0858 0.0247 0.0439 0.0225 2094 HOH B O 8900 O O . HOH AA . ? 0.6106 0.5905 0.6034 -0.0649 -0.0305 -0.0192 2095 HOH B O 8901 O O . HOH AA . ? 0.4581 0.3532 0.4432 0.0725 -0.0421 0.0304 2096 HOH B O 8902 O O . HOH AA . ? 0.1191 0.0860 0.0799 0.0132 0.0018 -0.0278 2097 HOH B O 8903 O O . HOH AA . ? 0.4273 0.2315 0.5124 -0.0969 -0.0129 -0.0614 2098 HOH B O 8904 O O . HOH AA . ? 0.1688 0.2153 0.0671 0.0548 0.0123 -0.0065 2099 HOH B O 8905 O O . HOH AA . ? 0.3971 0.3265 0.2941 0.0126 0.0089 -0.0200 2100 HOH B O 8906 O O . HOH AA . ? 0.1357 0.1708 0.1988 0.0044 0.0731 -0.0096 2101 HOH B O 8907 O O . HOH AA . ? 0.3978 0.4627 0.4313 0.2028 -0.0280 0.0210 2102 HOH B O 8908 O O . HOH AA . ? 0.3502 0.4426 0.4519 0.0527 0.0352 -0.0060 2103 HOH B O 8909 O O . HOH AA . ? 0.4887 0.4217 0.4758 -0.1138 0.0144 -0.0643 2104 HOH B O 8910 O O . HOH AA . ? 0.2340 0.1912 0.1283 0.0545 0.0486 -0.0363 2105 HOH B O 8911 O O . HOH AA . ? 0.7675 0.4654 0.2322 0.0266 0.0346 -0.0968 2106 HOH B O 8912 O O . HOH AA . ? 0.2954 0.2940 0.1408 0.0387 -0.0141 0.0401 2107 HOH B O 8913 O O . HOH AA . ? 0.2424 0.1968 0.2691 0.0612 -0.0182 -0.1208 2108 HOH B O 8914 O O . HOH AA . ? 0.2783 0.3902 0.1361 -0.0493 0.0424 0.0301 2109 HOH B O 8915 O O . HOH AA . ? 0.2350 0.1095 0.1189 0.0601 0.0022 -0.0323 2110 HOH B O 8916 O O . HOH AA . ? 0.2148 0.3991 0.3557 0.0511 0.0298 -0.1881 2111 HOH B O 8917 O O . HOH AA . ? 0.6232 0.4407 0.3759 -0.0224 -0.0235 -0.0893 2112 HOH B O 8918 O O . HOH AA . ? 0.5177 0.4442 0.5315 0.0886 -0.0621 0.0636 2113 HOH B O 8919 O O . HOH AA . ? 0.3316 0.2163 0.1129 -0.0553 0.0205 -0.0026 2114 HOH B O 8920 O O . HOH AA . ? 0.3910 0.3546 0.4983 0.0647 0.0116 0.0533 2115 HOH B O 8921 O O . HOH AA . ? 0.3455 0.1705 0.2933 -0.1175 0.0618 -0.0366 2116 HOH B O 8922 O O . HOH AA . ? 0.3570 0.2600 0.4153 -0.0032 0.0205 -0.0177 2117 HOH B O 8923 O O . HOH AA . ? 0.3551 0.5065 0.4643 -0.1979 -0.1355 0.0175 2118 HOH B O 8924 O O . HOH AA . ? 0.2450 0.1854 0.1831 -0.0195 -0.0013 -0.0469 2119 HOH B O 8925 O O . HOH AA . ? 0.3858 0.3956 0.3423 0.0280 0.0527 -0.1372 2120 HOH B O 8926 O O . HOH AA . ? 0.2973 0.3476 0.2355 -0.0155 -0.0962 0.0362 2121 HOH B O 8927 O O . HOH AA . ? 0.4687 0.2931 0.3334 -0.0681 -0.0533 -0.1658 2122 HOH B O 8928 O O . HOH AA . ? 0.3980 0.3922 0.3914 -0.0033 0.0099 -0.0040 2123 HOH B O 8929 O O . HOH AA . ? 0.3472 0.3891 0.5705 -0.0952 0.0452 -0.0225 2124 HOH B O 8930 O O . HOH AA . ? 0.3546 0.5209 0.2111 -0.2104 0.0799 -0.0963 2125 HOH B O 8931 O O . HOH AA . ? 0.4782 0.5338 0.6207 -0.1408 -0.0767 -0.0360 2126 HOH B O 8932 O O . HOH AA . ? 0.3366 0.5017 0.4963 -0.0262 -0.0021 0.0848 2127 HOH B O 8933 O O . HOH AA . ? 0.5518 0.4650 0.5662 -0.1451 0.0255 0.0065 2128 HOH B O 8934 O O . HOH AA . ? 0.4115 0.4420 0.4316 -0.0518 -0.0378 0.0998 2129 HOH B O 8935 O O . HOH AA . ? 0.2729 0.1238 0.1765 -0.0063 -0.0442 -0.0044 2130 HOH B O 8936 O O . HOH AA . ? 0.3496 0.2291 0.2381 0.1423 -0.0060 -0.0632 2131 HOH B O 8937 O O . HOH AA . ? 0.3243 0.3549 0.1987 0.0562 -0.0104 -0.0130 2132 HOH B O 8938 O O . HOH AA . ? 0.2396 0.2196 0.3604 0.0204 -0.0707 -0.1496 2133 HOH B O 8939 O O . HOH AA . ? 0.6285 0.3435 0.5429 -0.1108 -0.3345 0.0692 2134 HOH B O 8940 O O . HOH AA . ? 0.2049 0.2221 0.1503 -0.0159 -0.0613 -0.0071 2135 HOH B O 8941 O O . HOH AA . ? 0.2687 0.4960 0.2416 -0.1386 -0.0387 0.0389 2136 HOH B O 8942 O O . HOH AA . ? 0.1849 0.2871 0.2763 0.0496 0.0109 0.0414 2137 HOH B O 8943 O O . HOH AA . ? 0.4656 0.4518 0.6110 0.0265 -0.0283 0.0274 2138 HOH B O 8944 O O . HOH AA . ? 0.3827 0.4040 0.1639 0.1406 0.0254 -0.0045 2139 HOH B O 8945 O O . HOH AA . ? 0.5884 0.5776 0.5415 0.0404 -0.0112 -0.0297 2140 HOH B O 8946 O O . HOH AA . ? 0.1855 0.2583 0.2657 0.0246 0.0242 0.0102 2141 HOH B O 8947 O O . HOH AA . ? 0.2243 0.3278 0.2057 0.1018 0.0007 -0.0006 2142 HOH B O 8948 O O . HOH AA . ? 0.4796 0.5655 0.4843 0.1241 0.0147 0.2019 2143 HOH B O 8949 O O . HOH AA . ? 0.2250 0.4966 0.3003 0.0234 0.0333 0.0759 2144 HOH B O 8950 O O . HOH AA . ? 0.1966 0.3863 0.4571 -0.1154 0.0542 0.0282 2145 HOH B O 8951 O O . HOH AA . ? 0.1816 0.2913 0.2248 0.0154 0.0353 0.1229 2146 HOH B O 8952 O O . HOH AA . ? 0.1800 0.2137 0.1917 -0.0054 0.0287 -0.0577 2147 HOH B O 8953 O O . HOH AA . ? 0.3220 0.2164 0.3472 0.1024 -0.0647 0.0068 2148 HOH B O 8954 O O . HOH AA . ? 0.1677 0.3262 0.1418 0.0712 -0.0138 -0.0052 2149 HOH B O 8955 O O . HOH AA . ? 0.4774 0.2197 0.2473 0.0408 -0.0665 -0.1027 2150 HOH B O 8956 O O . HOH AA . ? 0.1419 0.1185 0.0931 -0.0040 0.0189 -0.0143 2151 HOH B O 8957 O O . HOH AA . ? 0.3497 0.3393 0.4030 0.0438 0.0891 -0.0374 2152 HOH B O 8958 O O . HOH AA . ? 0.1652 0.1534 0.0978 0.0039 0.0228 0.0105 2153 HOH B O 8959 O O . HOH AA . ? 0.3048 0.2010 0.2087 0.0263 -0.0051 0.0046 2154 HOH B O 8960 O O . HOH AA . ? 0.3171 0.6810 0.3036 0.0311 0.0304 0.2229 2155 HOH B O 8961 O O . HOH AA . ? 0.2627 0.5722 0.4333 -0.0214 0.1311 -0.1730 2156 HOH B O 8962 O O . HOH AA . ? 0.2253 0.5587 0.4160 0.0359 0.0095 0.2578 2157 HOH B O 8963 O O . HOH AA . ? 0.2429 0.1606 0.1401 -0.0098 -0.0569 0.0028 2158 HOH B O 8964 O O . HOH AA . ? 0.3122 0.2056 0.4574 -0.0598 0.0333 0.1252 2159 HOH B O 8965 O O . HOH AA . ? 0.2085 0.1836 0.2091 0.0477 0.0463 0.0502 2160 HOH B O 8966 O O . HOH AA . ? 0.1721 0.2947 0.0929 0.0271 -0.0031 0.0345 2161 HOH B O 8967 O O . HOH AA . ? 0.5218 0.5818 0.5789 0.1307 0.0104 0.0898 2162 HOH B O 8968 O O . HOH AA . ? 0.3996 0.4632 0.4500 0.0118 -0.0943 0.0481 2163 HOH B O 8969 O O . HOH AA . ? 0.5273 0.2952 0.4300 0.1503 -0.0405 0.0148 2164 HOH B O 8970 O O . HOH AA . ? 0.4746 0.4978 0.4934 0.0654 0.0737 -0.0787 2165 HOH B O 8971 O O . HOH AA . ? 0.6118 0.2773 0.2291 -0.1467 -0.1132 0.0008 2166 HOH B O 8972 O O . HOH AA . ? 0.4534 0.4451 0.1980 0.0567 0.0223 0.0923 2167 HOH B O 8973 O O . HOH AA . ? 0.3583 0.3730 0.4677 -0.1539 0.0890 -0.0362 2168 HOH B O 8974 O O . HOH AA . ? 0.4683 0.4729 0.5125 0.0475 -0.1470 -0.0776 2169 HOH B O 8975 O O . HOH AA . ? 0.3395 0.4224 0.1807 -0.0512 -0.0364 0.0165 2170 HOH B O 8976 O O . HOH AA . ? 0.3957 0.4770 0.4922 0.0456 0.0336 0.0011 2171 HOH B O 8977 O O . HOH AA . ? 0.4169 0.6061 0.3012 0.0110 0.1744 0.0923 2172 HOH B O 8978 O O . HOH AA . ? 0.4001 0.3899 0.2917 0.2050 -0.0917 -0.1351 2173 HOH B O 8979 O O . HOH AA . ? 0.2412 0.4099 0.2582 0.1472 0.0446 -0.0488 2174 HOH B O 8980 O O . HOH AA . ? 0.3490 0.4141 0.3247 0.2016 0.1101 0.0490 2175 HOH B O 8981 O O . HOH AA . ? 0.5250 0.3726 0.5807 0.1841 0.0150 0.1490 2176 HOH B O 8982 O O . HOH AA . ? 0.2601 0.3613 0.2306 0.0451 0.1213 -0.0666 2177 HOH B O 8983 O O . HOH AA . ? 0.4114 0.4690 0.4896 -0.1737 0.1655 -0.1405 2178 HOH B O 8984 O O . HOH AA . ? 0.3746 0.5388 0.2732 -0.2147 0.0804 0.0090 2179 HOH B O 8985 O O . HOH AA . ? 0.3190 0.5196 0.3760 -0.0169 0.1536 0.0497 2180 HOH B O 8986 O O . HOH AA . ? 0.3924 0.5007 0.3990 0.1089 -0.0480 0.0511 2181 HOH B O 8987 O O . HOH AA . ? 0.0966 0.0860 0.0431 0.0110 0.0229 0.0199 2182 HOH B O 8988 O O . HOH AA . ? 0.1532 0.0845 0.0513 0.0353 0.0254 0.0039 2183 HOH B O 8989 O O . HOH AA . ? 0.5312 0.5350 0.5661 0.0116 0.0567 -0.0213 2184 HOH B O 8990 O O . HOH AA . ? 0.4094 0.1922 0.2913 0.0733 -0.0085 0.0725 2185 HOH B O 8991 O O . HOH AA . ? 0.1885 0.1145 0.1177 -0.0204 0.0769 -0.0177 2186 HOH B O 8992 O O . HOH AA . ? 0.4464 0.4484 0.3804 0.1498 -0.1196 0.1357 2187 HOH B O 8993 O O . HOH AA . ? 0.2392 0.1689 0.3039 0.0966 0.0743 0.0096 2188 HOH B O 8994 O O . HOH AA . ? 0.6092 0.5229 0.5248 -0.0386 0.0184 -0.0493 2189 HOH B O 8995 O O . HOH AA . ? 0.2084 0.5610 0.6374 0.0605 -0.1048 -0.0735 2190 HOH B O 8996 O O . HOH AA . ? 0.4380 0.5350 0.2525 0.0480 -0.0847 -0.1101 2191 HOH B O 8997 O O . HOH AA . ? 0.2945 0.3793 0.3515 0.0774 -0.1226 0.1194 2192 HOH B O 8998 O O . HOH AA . ? 0.2224 0.2658 0.1388 0.0816 -0.0533 0.0370 2193 HOH B O 8999 O O . HOH AA . ? 0.2834 0.1805 0.2431 0.0509 -0.0460 0.0439 2194 HOH B O 9000 O O . HOH AA . ? 0.3702 0.5199 0.4725 -0.0944 0.1251 -0.0986 2195 HOH B O 9001 O O . HOH AA . ? 0.2359 0.0989 0.1828 0.0367 0.0509 0.0524 2196 HOH B O 9002 O O . HOH AA . ? 0.3844 0.3128 0.3457 -0.1619 -0.0569 0.0082 2197 HOH B O 9003 O O . HOH AA . ? 0.2362 0.5314 0.3047 -0.0859 -0.0915 -0.0682 2198 HOH B O 9004 O O . HOH AA . ? 0.5841 0.5581 0.4528 -0.0410 0.0113 -0.0338 2199 HOH B O 9005 O O . HOH AA . ? 0.1100 0.1447 0.1367 0.0129 0.0304 -0.0433 2200 HOH B O 9006 O O . HOH AA . ? 0.1273 0.1080 0.1181 -0.0157 0.0533 0.0018 2201 HOH B O 9007 O O . HOH AA . ? 0.3918 0.3853 0.5199 -0.0187 -0.0268 0.1184 2202 HOH B O 9008 O O . HOH AA . ? 0.4250 0.2769 0.5089 0.1019 -0.0414 -0.1771 2203 HOH B O 9009 O O . HOH AA . ? 0.4011 0.2421 0.2903 0.0535 -0.0477 0.0767 2204 HOH B O 9010 O O . HOH AA . ? 0.2581 0.2220 0.2587 -0.0733 -0.0063 0.0838 2205 HOH B O 9011 O O . HOH AA . ? 0.4859 0.4588 0.2774 -0.0406 0.0947 0.1722 2206 HOH B O 9012 O O . HOH AA . ? 0.5636 0.5143 0.5075 -0.1619 0.0490 -0.0057 2207 HOH B O 9013 O O . HOH AA . ? 0.3485 0.1737 0.4301 0.0828 -0.0313 0.0090 2208 HOH B O 9014 O O . HOH AA . ? 0.3630 0.2417 0.4065 -0.0314 0.1142 0.0314 2209 HOH B O 9015 O O . HOH AA . ? 0.2667 0.1520 0.1749 0.0394 -0.0281 0.0036 2210 HOH B O 9016 O O . HOH AA . ? 0.3823 0.3579 0.4201 -0.0921 0.0749 0.0517 2211 HOH B O 9017 O O . HOH AA . ? 0.5027 0.5606 0.5692 0.0390 -0.0239 0.0283 2212 HOH B O 9018 O O . HOH AA . ? 0.5468 0.5666 0.5400 -0.0322 -0.0379 -0.0083 2213 HOH B O 9019 O O . HOH AA . ? 0.4879 0.4498 0.5481 -0.1157 -0.0099 -0.0196 2214 HOH B O 9020 O O . HOH AA . ? 0.4160 0.5234 0.5499 -0.0101 -0.0711 -0.0860 2215 HOH B O 9021 O O . HOH AA . ? 0.3306 0.3149 0.4448 0.1176 0.1578 0.1947 2216 HOH B O 9022 O O . HOH AA . ? 0.4767 0.4830 0.4974 -0.0866 0.0240 0.1128 2217 HOH B O 9023 O O . HOH AA . ? 0.4307 0.4592 0.4095 -0.1712 0.2017 -0.1870 2218 HOH B O 9024 O O . HOH AA . ? 0.3461 0.4289 0.3989 -0.1275 0.1378 0.0155 2219 HOH B O 9025 O O . HOH AA . ? 0.4542 0.5003 0.6129 -0.0265 -0.0072 0.0684 2220 HOH B O 9026 O O . HOH AA . ? 0.6209 0.6352 0.6106 -0.0397 -0.0885 0.0429 2221 HOH B O 9027 O O . HOH AA . ? 0.2359 0.4956 0.4815 -0.1688 0.0477 0.0019 2222 HOH B O 9028 O O . HOH AA . ? 0.2197 0.2586 0.4804 0.0979 -0.0703 0.0223 2223 HOH B O 9029 O O . HOH AA . ? 0.1217 0.1677 0.1588 0.0249 -0.0292 -0.0312 2224 HOH B O 9030 O O . HOH AA . ? 0.4586 0.2433 0.2328 0.0236 -0.0684 0.0385 2225 HOH B O 9031 O O . HOH AA . ? 0.1920 0.4821 0.4249 -0.1018 0.0126 -0.1418 2226 HOH B O 9032 O O . HOH AA . ? 0.6191 0.5530 0.6246 0.0498 -0.0233 0.0467 2227 HOH B O 9033 O O . HOH AA . ? 0.2861 0.4883 0.3419 -0.1995 -0.0492 0.0711 2228 HOH B O 9034 O O . HOH AA . ? 0.4089 0.4984 0.5183 0.0908 -0.2062 -0.1987 2229 HOH B O 9035 O O . HOH AA . ? 0.2220 0.3046 0.1642 -0.1061 -0.0639 -0.0100 2230 HOH B O 9036 O O . HOH AA . ? 0.4398 0.4820 0.5064 0.0197 -0.1683 -0.0519 2231 HOH B O 9037 O O . HOH AA . ? 0.2877 0.4140 0.1703 -0.0256 -0.0279 -0.0817 2232 HOH B O 9038 O O . HOH AA . ? 0.3430 0.4589 0.4312 0.1157 -0.1628 0.0251 2233 HOH B O 9039 O O . HOH AA . ? 0.3724 0.7204 0.3369 0.0532 -0.1556 -0.1061 2234 HOH B O 9040 O O . HOH AA . ? 0.2554 0.2562 0.1192 -0.0376 0.0294 -0.0163 2235 HOH B O 9041 O O . HOH AA . ? 0.2595 0.3778 0.2299 -0.0644 -0.0731 -0.0878 2236 HOH B O 9042 O O . HOH AA . ? 0.1917 0.2163 0.1819 -0.0462 -0.1003 0.0077 2237 HOH B O 9043 O O . HOH AA . ? 0.4304 0.3845 0.4241 -0.2031 0.0899 -0.0514 2238 HOH B O 9044 O O . HOH AA . ? 0.5327 0.5116 0.5345 -0.0380 -0.1168 -0.0569 2239 HOH B O 9045 O O . HOH AA . ? 0.5019 0.5442 0.4425 -0.1642 0.0989 -0.0774 2240 HOH B O 9046 O O . HOH AA . ? 0.3111 0.2982 0.4440 -0.0509 0.1002 -0.0460 2241 HOH B O 9047 O O . HOH AA . ? 0.4802 0.3569 0.5482 -0.0552 0.0790 0.0021 2242 HOH B O 9048 O O . HOH AA . ? 0.4144 0.4067 0.4744 0.0857 0.0521 -0.0457 2243 HOH B O 9049 O O . HOH AA . ? 0.4094 0.2502 0.5097 0.0698 0.0600 0.0209 2244 HOH B O 9050 O O . HOH AA . ? 0.4585 0.1929 0.2318 0.1200 0.0288 -0.0282 2245 HOH B O 9051 O O . HOH AA . ? 0.4994 0.3962 0.3328 0.0019 -0.1487 0.0143 2246 HOH B O 9052 O O . HOH AA . ? 0.3119 0.5027 0.2739 0.1607 0.0690 0.1788 2247 HOH B O 9053 O O . HOH AA . ? 0.3933 0.3730 0.5316 -0.0879 -0.0715 -0.0452 2248 HOH B O 9054 O O . HOH BA . ? 0.6535 0.6006 0.5784 -0.0543 -0.0187 0.1009 2001 HOH C O 9055 O O . HOH BA . ? 0.2152 0.3789 0.2536 -0.1001 0.0659 -0.1683 2002 HOH C O 9056 O O . HOH BA . ? 0.2491 0.2784 0.4763 0.0614 -0.1036 -0.1939 2003 HOH C O 9057 O O . HOH BA . ? 0.4175 0.7878 0.3394 -0.0847 -0.0676 -0.0471 2004 HOH C O 9058 O O . HOH BA . ? 0.4134 0.5615 0.5621 -0.1725 -0.1115 -0.1235 2005 HOH C O 9059 O O . HOH BA . ? 0.4368 0.6507 1.0381 0.1273 0.0267 -0.3552 2006 HOH C O 9060 O O . HOH BA . ? 0.2238 0.2173 0.1656 0.0455 0.0677 -0.0763 2007 HOH C O 9061 O O . HOH BA . ? 0.2642 0.2358 0.1378 0.1156 -0.0007 -0.0366 2008 HOH C O 9062 O O . HOH BA . ? 0.3046 0.5224 0.4017 -0.0675 0.1203 -0.0276 2009 HOH C O 9063 O O . HOH BA . ? 0.5423 0.4347 0.2839 -0.0341 -0.0763 0.0847 2010 HOH C O 9064 O O . HOH BA . ? 0.5056 0.3397 0.2935 0.1291 -0.0018 -0.0026 2011 HOH C O 9065 O O . HOH BA . ? 0.2744 0.1913 0.1820 -0.0346 -0.0620 -0.0039 2012 HOH C O 9066 O O . HOH BA . ? 0.3104 0.3443 0.3853 -0.0305 -0.0082 0.0449 2013 HOH C O 9067 O O . HOH BA . ? 0.4763 0.3615 0.5787 -0.1386 0.0725 0.0953 2014 HOH C O 9068 O O . HOH BA . ? 0.3934 0.3921 0.3977 -0.0402 0.0283 0.0409 2015 HOH C O 9069 O O . HOH BA . ? 0.6141 0.6417 0.3885 0.1352 -0.1350 -0.0425 2016 HOH C O 9070 O O . HOH BA . ? 0.5628 0.4809 0.6139 -0.0989 -0.0281 -0.1447 2017 HOH C O 9071 O O . HOH BA . ? 0.3707 0.3578 0.1934 0.0622 0.0916 -0.0796 2018 HOH C O 9072 O O . HOH BA . ? 0.5241 0.2915 0.5333 0.0770 -0.1240 0.1587 2019 HOH C O 9073 O O . HOH BA . ? 0.4625 0.3521 0.6791 0.0291 -0.1526 -0.1197 2020 HOH C O 9074 O O . HOH BA . ? 0.2057 0.2618 0.1765 0.0166 0.0204 -0.0403 2021 HOH C O 9075 O O . HOH BA . ? 0.5170 0.3957 0.4804 0.1866 0.0728 -0.1032 2022 HOH C O 9076 O O . HOH BA . ? 0.4041 0.3972 0.3952 -0.0030 0.0152 -0.0335 2023 HOH C O 9077 O O . HOH BA . ? 0.2340 0.1630 0.1484 -0.0687 -0.0092 -0.0114 2024 HOH C O 9078 O O . HOH BA . ? 0.1606 0.1594 0.2112 0.0061 -0.0636 -0.0032 2025 HOH C O 9079 O O . HOH BA . ? 0.1732 0.1484 0.1258 0.0051 0.0124 0.0255 2026 HOH C O 9080 O O . HOH BA . ? 0.3505 0.4113 0.4250 -0.0999 0.0413 -0.0633 2027 HOH C O 9081 O O . HOH BA . ? 0.3247 0.4284 0.4580 -0.0488 0.0456 0.0326 2028 HOH C O 9082 O O . HOH BA . ? 0.3728 0.3945 0.4029 -0.0036 -0.0089 0.0062 2029 HOH C O 9083 O O . HOH BA . ? 0.2121 0.2165 0.1793 0.0341 -0.0749 -0.0653 2030 HOH C O 9084 O O . HOH BA . ? 0.2174 0.2962 0.5294 0.0408 -0.0902 0.0704 2031 HOH C O 9085 O O . HOH BA . ? 0.4933 0.3856 0.4689 -0.0096 0.1347 -0.0928 2032 HOH C O 9086 O O . HOH BA . ? 0.4044 0.1943 0.5134 -0.0468 0.2363 -0.0688 2033 HOH C O 9087 O O . HOH BA . ? 0.2181 0.2282 0.3469 0.0023 0.1197 0.1044 2034 HOH C O 9088 O O . HOH BA . ? 0.3768 0.4938 0.2221 -0.0694 0.0045 0.1529 2035 HOH C O 9089 O O . HOH BA . ? 0.5235 0.4733 0.5446 -0.0339 -0.0504 0.0049 2036 HOH C O 9090 O O . HOH BA . ? 0.3874 0.3948 0.3858 -0.0148 -0.0211 -0.0346 2037 HOH C O 9091 O O . HOH BA . ? 0.5577 0.3694 0.2289 -0.1677 -0.0509 0.1027 2038 HOH C O 9092 O O . HOH BA . ? 0.5355 0.4654 0.5315 -0.0360 0.0710 -0.2337 2039 HOH C O 9093 O O . HOH BA . ? 0.1600 0.1210 0.0822 0.0062 0.0063 0.0069 2040 HOH C O 9094 O O . HOH BA . ? 0.2701 0.1970 0.1769 0.0176 -0.0355 0.0463 2041 HOH C O 9095 O O . HOH BA . ? 0.4130 0.7102 0.2250 0.0279 -0.0163 0.1343 2042 HOH C O 9096 O O . HOH BA . ? 0.3121 0.5025 0.2370 -0.1692 -0.0122 -0.1008 2043 HOH C O 9097 O O . HOH BA . ? 0.5277 0.2280 0.1907 0.1174 0.0163 -0.0426 2044 HOH C O 9098 O O . HOH BA . ? 0.3139 0.3514 0.4124 0.1211 -0.0628 -0.0356 2045 HOH C O 9099 O O . HOH BA . ? 0.3589 0.1630 0.1089 0.1055 0.0085 -0.0065 2046 HOH C O 9100 O O . HOH BA . ? 0.2261 0.2151 0.2129 0.1086 0.0977 0.0568 2047 HOH C O 9101 O O . HOH BA . ? 0.4970 0.3729 0.4921 0.0667 0.0093 -0.0200 2048 HOH C O 9102 O O . HOH BA . ? 0.4157 0.5259 0.5598 -0.1233 -0.2150 -0.0555 2049 HOH C O 9103 O O . HOH BA . ? 0.3856 0.3905 0.3466 -0.1452 0.0523 -0.0387 2050 HOH C O 9104 O O . HOH BA . ? 0.4178 0.4057 0.3514 0.0838 -0.0711 -0.0238 2051 HOH C O 9105 O O . HOH BA . ? 0.5675 0.4267 0.1859 -0.1456 -0.0138 -0.0362 2052 HOH C O 9106 O O . HOH BA . ? 0.2562 0.2467 0.1848 0.0379 -0.0378 -0.0891 2053 HOH C O 9107 O O . HOH BA . ? 0.3001 0.4525 0.4817 -0.0364 -0.0619 -0.0176 2054 HOH C O 9108 O O . HOH BA . ? 0.4988 1.0210 0.4498 0.1183 0.1456 0.2704 2055 HOH C O 9109 O O . HOH BA . ? 0.5683 0.2637 0.5082 0.1020 0.2071 0.0831 2056 HOH C O 9110 O O . HOH BA . ? 0.1272 0.1471 0.2445 0.0145 -0.0262 -0.0698 2057 HOH C O 9111 O O . HOH BA . ? 0.1390 0.3633 0.3266 0.0216 0.0434 -0.0647 2058 HOH C O 9112 O O . HOH BA . ? 0.5082 0.5491 0.5293 -0.0179 -0.0159 0.0453 2059 HOH C O 9113 O O . HOH BA . ? 0.2346 0.1356 0.0741 0.0162 0.0350 -0.0151 2060 HOH C O 9114 O O . HOH BA . ? 0.3318 0.5132 0.4196 0.0458 -0.0937 0.0837 2061 HOH C O 9115 O O . HOH BA . ? 0.6167 0.4274 0.2961 0.0978 -0.0005 -0.1727 2062 HOH C O 9116 O O . HOH BA . ? 0.2946 0.3408 0.4004 -0.0510 0.0381 -0.0785 2063 HOH C O 9117 O O . HOH BA . ? 0.4395 0.1449 0.2220 0.0433 0.1407 0.0348 2064 HOH C O 9118 O O . HOH BA . ? 0.1645 0.1270 0.0682 -0.0041 0.0483 -0.0075 2065 HOH C O 9119 O O . HOH BA . ? 0.2396 0.2906 0.4733 -0.0077 -0.0048 -0.0196 2066 HOH C O 9120 O O . HOH BA . ? 0.3164 0.4696 0.4485 0.1022 -0.0292 0.0177 2067 HOH C O 9121 O O . HOH BA . ? 0.1447 0.1923 0.1066 -0.0553 0.0075 -0.0024 2068 HOH C O 9122 O O . HOH BA . ? 0.1704 0.1765 0.1237 -0.0093 0.0074 -0.0139 2069 HOH C O 9123 O O . HOH BA . ? 0.1545 0.1472 0.1854 0.0175 -0.0282 -0.0007 2070 HOH C O 9124 O O . HOH BA . ? 0.1250 0.1720 0.0525 0.0127 0.0024 -0.0057 2071 HOH C O 9125 O O . HOH BA . ? 0.5499 0.4336 0.5729 0.1256 0.0802 -0.0612 2072 HOH C O 9126 O O . HOH BA . ? 0.3649 0.2878 0.2724 -0.0356 -0.0260 -0.0695 2073 HOH C O 9127 O O . HOH BA . ? 0.2316 0.1521 0.2440 -0.0202 0.0358 0.0175 2074 HOH C O 9128 O O . HOH BA . ? 0.2049 0.1884 0.1590 0.0166 0.0092 0.0370 2075 HOH C O 9129 O O . HOH BA . ? 0.1246 0.1090 0.0982 0.0141 -0.0332 -0.0496 2076 HOH C O 9130 O O . HOH BA . ? 0.5745 0.5153 0.4513 0.1952 -0.2109 0.0570 2077 HOH C O 9131 O O . HOH BA . ? 0.4830 0.5436 0.5350 -0.0330 0.0186 -0.0089 2078 HOH C O 9132 O O . HOH BA . ? 0.3074 0.3161 0.3150 -0.0961 0.1380 -0.0975 2079 HOH C O 9133 O O . HOH BA . ? 0.1290 0.1349 0.1136 -0.0084 -0.0147 -0.0168 2080 HOH C O 9134 O O . HOH BA . ? 0.1865 0.2384 0.1576 -0.0673 -0.0029 -0.0052 2081 HOH C O 9135 O O . HOH BA . ? 0.2397 0.2452 0.1693 -0.0510 0.0322 -0.0170 2082 HOH C O 9136 O O . HOH BA . ? 0.2128 0.3619 0.2964 0.0293 0.0008 -0.0145 2083 HOH C O 9137 O O . HOH BA . ? 0.4928 0.4728 0.4651 -0.1697 -0.0314 -0.1326 2084 HOH C O 9138 O O . HOH BA . ? 0.1789 0.1902 0.1767 -0.0494 0.0750 -0.0796 2085 HOH C O 9139 O O . HOH BA . ? 0.5296 0.5135 0.4971 -0.0235 0.0263 -0.0083 2086 HOH C O 9140 O O . HOH BA . ? 0.3462 0.2084 0.4654 0.0287 0.0115 -0.1498 2087 HOH C O 9141 O O . HOH BA . ? 0.2558 0.1456 0.1856 -0.0705 0.0022 -0.0144 2088 HOH C O 9142 O O . HOH BA . ? 0.2776 0.3400 0.2470 0.0668 0.0723 -0.0311 2089 HOH C O 9143 O O . HOH BA . ? 0.1682 0.1624 0.0680 -0.0322 0.0386 -0.0206 2090 HOH C O 9144 O O . HOH BA . ? 0.1294 0.1169 0.0888 0.0204 0.0033 0.0026 2091 HOH C O 9145 O O . HOH BA . ? 0.3986 0.4043 0.4081 -0.0262 -0.0032 0.0109 2092 HOH C O 9146 O O . HOH BA . ? 0.1751 0.0885 0.0901 0.0214 0.0333 0.0059 2093 HOH C O 9147 O O . HOH BA . ? 0.4822 0.4643 0.5091 0.1098 -0.0089 -0.0166 2094 HOH C O 9148 O O . HOH BA . ? 0.2062 0.3205 0.1499 0.0674 0.0235 0.0488 2095 HOH C O 9149 O O . HOH BA . ? 0.2983 0.2951 0.2591 0.1549 -0.0976 -0.0516 2096 HOH C O 9150 O O . HOH BA . ? 0.2561 0.2047 0.1340 0.0445 -0.0569 -0.0289 2097 HOH C O 9151 O O . HOH BA . ? 0.3617 0.3952 0.4495 0.1835 -0.0872 -0.0242 2098 HOH C O 9152 O O . HOH BA . ? 0.4606 0.3841 0.4447 0.0694 -0.0744 0.1219 2099 HOH C O 9153 O O . HOH BA . ? 0.3296 0.2655 0.2318 0.0764 -0.0355 -0.0162 2100 HOH C O 9154 O O . HOH BA . ? 0.3279 0.2123 0.3095 0.0103 0.0001 0.0672 2101 HOH C O 9155 O O . HOH BA . ? 0.2312 0.3565 0.2274 -0.0044 0.0221 0.0898 2102 HOH C O 9156 O O . HOH BA . ? 0.3659 0.3020 0.3625 0.1260 -0.0587 0.1301 2103 HOH C O 9157 O O . HOH BA . ? 0.6400 0.4468 0.3457 -0.2600 0.2089 -0.1125 2104 HOH C O 9158 O O . HOH BA . ? 0.3691 0.3391 0.3408 -0.0051 0.0298 0.0340 2105 HOH C O 9159 O O . HOH BA . ? 0.1723 0.1068 0.0732 0.0433 0.0402 0.0043 2106 HOH C O 9160 O O . HOH BA . ? 0.4204 0.2649 0.5292 0.0053 0.0119 -0.1307 2107 HOH C O 9161 O O . HOH BA . ? 0.6307 0.5936 0.6229 0.0220 -0.0060 0.0839 2108 HOH C O 9162 O O . HOH BA . ? 0.2283 0.0988 0.1445 0.0261 0.0853 0.0139 2109 HOH C O 9163 O O . HOH BA . ? 0.1424 0.3088 0.1211 -0.0190 -0.0023 -0.0211 2110 HOH C O 9164 O O . HOH BA . ? 0.3128 0.1426 0.4246 -0.0323 -0.0471 -0.0742 2111 HOH C O 9165 O O . HOH BA . ? 0.5274 0.3358 0.4509 -0.0337 0.0173 -0.1667 2112 HOH C O 9166 O O . HOH BA . ? 0.3886 0.4546 0.4244 -0.1246 -0.0017 -0.0996 2113 HOH C O 9167 O O . HOH BA . ? 0.3986 0.4126 0.3877 0.0257 -0.0009 -0.0253 2114 HOH C O 9168 O O . HOH BA . ? 0.2861 0.4468 0.4554 -0.0074 -0.0189 -0.0431 2115 HOH C O 9169 O O . HOH BA . ? 0.2288 0.1995 0.2059 0.0003 0.0152 -0.0950 2116 HOH C O 9170 O O . HOH BA . ? 0.2983 0.3475 0.1595 -0.0853 0.0810 -0.0778 2117 HOH C O 9171 O O . HOH BA . ? 0.2173 0.1619 0.3497 -0.0395 0.0508 -0.1029 2118 HOH C O 9172 O O . HOH BA . ? 0.4118 0.4108 0.4173 0.0094 0.1482 -0.0968 2119 HOH C O 9173 O O . HOH BA . ? 0.4319 0.4530 0.4435 -0.0385 -0.0022 -0.1637 2120 HOH C O 9174 O O . HOH BA . ? 0.3055 0.2763 0.3511 -0.0908 0.1166 -0.1170 2121 HOH C O 9175 O O . HOH BA . ? 0.4313 0.4247 0.3979 0.2494 0.0725 0.0665 2122 HOH C O 9176 O O . HOH BA . ? 0.6931 0.2765 0.4051 0.0609 -0.1885 -0.1154 2123 HOH C O 9177 O O . HOH BA . ? 0.6486 0.6500 0.6778 0.0643 -0.0133 -0.0007 2124 HOH C O 9178 O O . HOH BA . ? 0.2465 0.5269 0.2889 0.0306 -0.0243 -0.2114 2125 HOH C O 9179 O O . HOH BA . ? 0.3725 0.3650 0.3668 -0.0259 -0.0208 -0.0053 2126 HOH C O 9180 O O . HOH BA . ? 0.4607 0.2645 0.2417 0.0758 0.1253 -0.0542 2127 HOH C O 9181 O O . HOH BA . ? 0.2766 0.2141 0.1546 0.0773 -0.0383 -0.0257 2128 HOH C O 9182 O O . HOH BA . ? 0.3209 0.2808 0.2849 0.0241 0.0087 0.0419 2129 HOH C O 9183 O O . HOH BA . ? 0.2803 0.1071 0.1533 0.0681 -0.0091 -0.0249 2130 HOH C O 9184 O O . HOH BA . ? 0.1871 0.1644 0.2171 0.0213 0.0128 0.0070 2131 HOH C O 9185 O O . HOH BA . ? 0.4347 0.2220 0.1801 -0.0167 0.0867 -0.0270 2132 HOH C O 9186 O O . HOH BA . ? 0.5025 0.2976 0.4145 -0.1062 -0.0334 0.0345 2133 HOH C O 9187 O O . HOH BA . ? 0.2604 0.2239 0.1494 0.0674 0.0423 -0.0369 2134 HOH C O 9188 O O . HOH BA . ? 0.3421 0.2653 0.1981 0.1173 0.1073 0.0194 2135 HOH C O 9189 O O . HOH BA . ? 0.2684 0.4280 0.1840 -0.0769 0.0501 -0.1239 2136 HOH C O 9190 O O . HOH BA . ? 0.4686 0.3559 0.4371 0.0826 -0.0860 0.0484 2137 HOH C O 9191 O O . HOH BA . ? 0.7174 0.6207 0.4654 -0.3585 0.0971 -0.1045 2138 HOH C O 9192 O O . HOH BA . ? 0.2998 0.4100 0.4091 0.0545 -0.0363 0.0269 2139 HOH C O 9193 O O . HOH BA . ? 0.4647 0.4963 0.2303 0.0612 -0.0558 -0.0493 2140 HOH C O 9194 O O . HOH BA . ? 0.2447 0.2890 0.2202 -0.0093 -0.0330 -0.0123 2141 HOH C O 9195 O O . HOH BA . ? 0.4870 0.4236 0.3916 0.0129 -0.0496 -0.0813 2142 HOH C O 9196 O O . HOH BA . ? 0.2696 0.3161 0.0908 0.0209 -0.0058 0.0393 2143 HOH C O 9197 O O . HOH BA . ? 0.3604 0.3925 0.1483 -0.0365 0.0021 -0.0249 2144 HOH C O 9198 O O . HOH BA . ? 0.3372 0.3496 0.2936 -0.0913 -0.0917 -0.1083 2145 HOH C O 9199 O O . HOH BA . ? 0.4761 0.3126 0.4937 0.0708 -0.1443 0.1025 2146 HOH C O 9200 O O . HOH BA . ? 0.2270 0.3575 0.1427 -0.1449 -0.0069 -0.0306 2147 HOH C O 9201 O O . HOH BA . ? 0.2621 0.2051 0.2080 0.0149 -0.0509 -0.0681 2148 HOH C O 9202 O O . HOH BA . ? 0.4381 0.3091 0.2330 0.0535 0.0441 0.0982 2149 HOH C O 9203 O O . HOH BA . ? 0.1629 0.2951 0.0935 0.0006 -0.0123 -0.0209 2150 HOH C O 9204 O O . HOH BA . ? 0.2883 0.2841 0.3530 0.1422 0.0212 0.0143 2151 HOH C O 9205 O O . HOH BA . ? 0.1235 0.1011 0.0640 -0.0100 0.0177 -0.0136 2152 HOH C O 9206 O O . HOH BA . ? 0.4149 0.4279 0.3021 -0.0060 0.0172 0.0917 2153 HOH C O 9207 O O . HOH BA . ? 0.1487 0.1272 0.0853 0.0100 0.0176 -0.0259 2154 HOH C O 9208 O O . HOH BA . ? 0.2672 0.1181 0.2306 -0.0242 0.0011 0.0054 2155 HOH C O 9209 O O . HOH BA . ? 0.2835 0.3732 0.2423 -0.0506 -0.1015 0.0272 2156 HOH C O 9210 O O . HOH BA . ? 0.3022 0.6654 0.3595 -0.2118 0.0287 -0.1198 2157 HOH C O 9211 O O . HOH BA . ? 0.3483 0.5439 0.4760 0.1929 -0.1707 -0.1490 2158 HOH C O 9212 O O . HOH BA . ? 0.4197 0.5496 0.3010 -0.1233 0.0428 0.0734 2159 HOH C O 9213 O O . HOH BA . ? 0.1947 0.1234 0.1245 0.0158 0.0612 -0.0319 2160 HOH C O 9214 O O . HOH BA . ? 0.4126 0.1448 0.2997 -0.0343 0.1095 -0.0605 2161 HOH C O 9215 O O . HOH BA . ? 0.1803 0.1509 0.1680 -0.0046 0.0161 -0.0094 2162 HOH C O 9216 O O . HOH BA . ? 0.1738 0.1938 0.2043 -0.0092 0.0699 0.0010 2163 HOH C O 9217 O O . HOH BA . ? 0.3540 0.2996 0.5092 -0.1462 -0.1556 0.1429 2164 HOH C O 9218 O O . HOH BA . ? 0.1484 0.2551 0.0856 0.0089 0.0173 0.0016 2165 HOH C O 9219 O O . HOH BA . ? 0.5079 0.3063 0.4041 0.0049 0.0398 0.2019 2166 HOH C O 9220 O O . HOH BA . ? 0.4270 0.4568 0.3539 -0.0018 0.0264 0.0765 2167 HOH C O 9221 O O . HOH BA . ? 0.4059 0.5222 0.2560 0.0394 0.0190 -0.0933 2168 HOH C O 9222 O O . HOH BA . ? 0.4079 0.2466 0.3106 -0.0485 0.1617 0.0393 2169 HOH C O 9223 O O . HOH BA . ? 0.3663 0.2720 0.2685 -0.0040 0.1590 -0.0461 2170 HOH C O 9224 O O . HOH BA . ? 0.5020 0.1685 0.2926 -0.0024 0.0839 -0.0227 2171 HOH C O 9225 O O . HOH BA . ? 0.1691 0.2662 0.5450 0.0255 0.0438 0.0865 2172 HOH C O 9226 O O . HOH BA . ? 0.3984 0.3956 0.4115 -0.0474 -0.0289 0.0018 2173 HOH C O 9227 O O . HOH BA . ? 0.3897 0.3068 0.4185 0.0670 -0.0544 -0.0792 2174 HOH C O 9228 O O . HOH BA . ? 0.5867 0.3833 0.3907 -0.0031 -0.0314 0.1079 2175 HOH C O 9229 O O . HOH BA . ? 0.3233 0.5075 0.2734 0.0385 0.0949 -0.1027 2176 HOH C O 9230 O O . HOH BA . ? 0.6051 0.2891 0.3498 -0.0751 0.1989 -0.0811 2177 HOH C O 9231 O O . HOH BA . ? 0.3682 0.5452 0.4363 -0.0271 0.1298 0.0343 2178 HOH C O 9232 O O . HOH BA . ? 0.4197 0.6101 0.4696 0.0455 -0.0651 -0.0429 2179 HOH C O 9233 O O . HOH BA . ? 0.2675 0.3295 0.2130 0.0899 -0.0031 0.1116 2180 HOH C O 9234 O O . HOH BA . ? 0.2200 0.3819 0.2414 0.0074 -0.0196 0.1142 2181 HOH C O 9235 O O . HOH BA . ? 0.4516 0.5082 0.5088 0.1391 0.0505 -0.0096 2182 HOH C O 9236 O O . HOH BA . ? 0.3651 0.4904 0.5054 0.1192 -0.1396 -0.2824 2183 HOH C O 9237 O O . HOH BA . ? 0.5549 0.5426 0.2110 -0.0291 -0.1358 -0.0324 2184 HOH C O 9238 O O . HOH BA . ? 0.3812 0.3891 0.4405 0.0524 -0.1696 0.0106 2185 HOH C O 9239 O O . HOH BA . ? 0.3920 0.5097 0.3626 0.0486 -0.0413 -0.0557 2186 HOH C O 9240 O O . HOH BA . ? 0.1483 0.0565 0.1041 -0.0001 0.0060 0.0068 2187 HOH C O 9241 O O . HOH BA . ? 0.1596 0.1029 0.1274 -0.0071 0.0157 0.0017 2188 HOH C O 9242 O O . HOH BA . ? 0.5621 0.4308 0.5123 0.1193 0.0558 -0.1043 2189 HOH C O 9243 O O . HOH BA . ? 0.3570 0.1567 0.3512 -0.0941 0.0294 0.0632 2190 HOH C O 9244 O O . HOH BA . ? 0.6094 0.3033 0.6676 -0.0348 -0.3059 0.1268 2191 HOH C O 9245 O O . HOH BA . ? 0.2288 0.1048 0.1984 0.0083 -0.0221 0.0133 2192 HOH C O 9246 O O . HOH BA . ? 0.4612 0.4422 0.2946 0.0341 0.1177 0.1028 2193 HOH C O 9247 O O . HOH BA . ? 0.2904 0.2925 0.2660 0.0157 -0.0763 0.1429 2194 HOH C O 9248 O O . HOH BA . ? 0.5083 0.5823 0.5169 0.0150 0.0571 0.0225 2195 HOH C O 9249 O O . HOH BA . ? 0.4565 0.5109 0.4027 0.1263 0.0920 -0.1418 2196 HOH C O 9250 O O . HOH BA . ? 0.4495 0.5333 0.2963 -0.0765 0.1720 0.0349 2197 HOH C O 9251 O O . HOH BA . ? 0.2503 0.2461 0.2040 0.0297 0.0920 0.1034 2198 HOH C O 9252 O O . HOH BA . ? 0.4428 0.3780 0.4124 -0.0385 0.0944 0.1802 2199 HOH C O 9253 O O . HOH BA . ? 0.2822 0.1490 0.3313 -0.0740 -0.0431 0.0787 2200 HOH C O 9254 O O . HOH BA . ? 0.5406 0.6085 0.5914 -0.0353 0.0126 -0.0241 2201 HOH C O 9255 O O . HOH BA . ? 0.3982 0.4161 0.3326 -0.0163 0.0578 -0.1906 2202 HOH C O 9256 O O . HOH BA . ? 0.2072 0.1406 0.1099 0.0277 -0.0652 -0.0440 2203 HOH C O 9257 O O . HOH BA . ? 0.1334 0.1471 0.1017 -0.0141 -0.0475 -0.0173 2204 HOH C O 9258 O O . HOH BA . ? 0.2388 0.2567 0.3461 -0.0300 0.1446 -0.0198 2205 HOH C O 9259 O O . HOH BA . ? 0.3719 0.2020 0.5813 -0.0512 -0.2334 0.0662 2206 HOH C O 9260 O O . HOH BA . ? 0.6381 0.2199 0.3632 0.1214 -0.0821 0.0301 2207 HOH C O 9261 O O . HOH BA . ? 0.1289 0.2674 0.2663 -0.0501 0.0189 -0.0762 2208 HOH C O 9262 O O . HOH BA . ? 0.4711 0.5018 0.5074 -0.0558 -0.0936 -0.0306 2209 HOH C O 9263 O O . HOH BA . ? 0.4847 0.5037 0.4389 -0.0332 -0.0400 -0.0822 2210 HOH C O 9264 O O . HOH BA . ? 0.2704 0.3086 0.3442 0.0109 -0.0567 -0.0599 2211 HOH C O 9265 O O . HOH BA . ? 0.1052 0.3192 0.2418 -0.0178 0.0109 -0.0247 2212 HOH C O 9266 O O . HOH BA . ? 0.3272 0.3686 0.4078 -0.0487 0.0905 0.0094 2213 HOH C O 9267 O O . HOH BA . ? 0.2083 0.1755 0.2688 -0.0365 0.1099 -0.0054 2214 HOH C O 9268 O O . HOH BA . ? 0.3025 0.3196 0.4530 0.1184 0.0850 -0.1136 2215 HOH C O 9269 O O . HOH BA . ? 0.2034 0.0996 0.1676 -0.0323 0.0227 -0.0025 2216 HOH C O 9270 O O . HOH BA . ? 0.2522 0.1104 0.1524 -0.0255 0.0351 -0.0185 2217 HOH C O 9271 O O . HOH BA . ? 0.7229 0.3629 0.4905 -0.0184 0.2272 -0.1607 2218 HOH C O 9272 O O . HOH BA . ? 0.1639 0.1089 0.1178 -0.0070 0.0202 -0.0633 2219 HOH C O 9273 O O . HOH BA . ? 0.3640 0.2214 0.2422 -0.1406 -0.0749 0.0254 2220 HOH C O 9274 O O . HOH BA . ? 0.4996 0.2872 0.2789 -0.0377 -0.1220 -0.0543 2221 HOH C O 9275 O O . HOH BA . ? 0.5473 0.5318 0.4354 0.0641 -0.0377 -0.0373 2222 HOH C O 9276 O O . HOH BA . ? 0.6177 0.5711 0.6356 0.0738 -0.0086 -0.0136 2223 HOH C O 9277 O O . HOH BA . ? 0.4918 0.5125 0.4403 -0.2450 0.1435 -0.2236 2224 HOH C O 9278 O O . HOH BA . ? 0.2580 0.2010 0.2648 -0.0130 -0.0051 0.0449 2225 HOH C O 9279 O O . HOH BA . ? 0.5903 0.6379 0.3091 -0.0034 -0.1343 -0.0215 2226 HOH C O 9280 O O . HOH BA . ? 0.4687 0.3761 0.4302 -0.1570 0.1171 0.0330 2227 HOH C O 9281 O O . HOH BA . ? 0.3927 0.5162 0.4006 -0.0470 0.0898 -0.0685 2228 HOH C O 9282 O O . HOH BA . ? 0.3798 0.3202 0.3010 0.1001 0.0348 -0.1362 2229 HOH C O 9283 O O . HOH BA . ? 0.4719 0.5318 0.4164 -0.0656 0.0572 0.0456 2230 HOH C O 9284 O O . HOH BA . ? 0.3604 0.3218 0.2837 -0.1417 -0.0119 0.0034 2231 HOH C O 9285 O O . HOH BA . ? 0.2167 0.5779 0.2775 -0.1218 -0.0597 0.1962 2232 HOH C O 9286 O O . HOH BA . ? 0.3047 0.3127 0.4702 0.0478 0.1588 0.1265 2233 HOH C O 9287 O O . HOH BA . ? 0.2684 0.3226 0.1451 0.0208 0.0381 -0.0766 2234 HOH C O 9288 O O . HOH BA . ? 0.5659 0.4353 0.3889 -0.1279 -0.0550 -0.0802 2235 HOH C O 9289 O O . HOH BA . ? 0.4374 0.4348 0.4272 -0.0939 -0.1320 -0.1831 2236 HOH C O 9290 O O . HOH BA . ? 0.3907 0.4230 0.4036 -0.0221 -0.1342 -0.1749 2237 HOH C O 9291 O O . HOH BA . ? 0.1846 0.1501 0.0576 0.0202 0.0112 -0.0212 2238 HOH C O 9292 O O . HOH BA . ? 0.2175 0.1365 0.0951 -0.0555 0.0192 -0.0446 2239 HOH C O 9293 O O . HOH BA . ? 0.3733 0.3471 0.3469 -0.0102 0.0068 -0.2069 2240 HOH C O 9294 O O . HOH BA . ? 0.7356 0.7294 0.7539 -0.0082 0.0031 -0.0206 2241 HOH C O 9295 O O . HOH BA . ? 0.5114 0.5803 0.4880 -0.0181 0.0866 -0.0262 2242 HOH C O 9296 O O . HOH BA . ? 0.3887 0.5342 0.3346 0.0138 0.0609 -0.1416 2243 HOH C O 9297 O O . HOH BA . ? 0.3687 0.5726 0.3325 0.0682 0.0811 -0.1915 2244 HOH C O 9298 O O . HOH BA . ? 0.5101 0.3750 0.4374 -0.0608 -0.0296 -0.0346 2245 HOH C O 9299 O O . HOH BA . ? 0.3175 0.2822 0.2159 0.0651 0.0675 -0.1123 2246 HOH C O 9300 O O . HOH BA . ? 0.5627 0.4825 0.5606 0.0950 0.0534 -0.0457 2247 HOH C O 9301 O O . HOH BA . ? 0.4253 0.4885 0.2141 -0.0564 0.0590 -0.1374 2248 HOH C O 9302 O O . HOH BA . ? 0.4331 0.4760 0.1277 -0.0131 0.0422 0.0132 2249 HOH C O 9303 O O . HOH BA . ? 0.3535 0.5714 0.2907 0.0830 -0.0152 0.0292 2250 HOH C O 9304 O O . HOH BA . ? 0.4537 0.4753 0.4567 -0.0801 0.1160 0.0812 2251 HOH C O 9305 O O . HOH BA . ? 0.1606 0.2801 0.1830 0.0009 0.0040 -0.0032 2252 HOH C O 9306 O O . HOH BA . ? 0.3496 0.3920 0.1903 0.0737 0.0448 -0.1121 2253 HOH C O 9307 O O . HOH BA . ? 0.2217 0.2392 0.1429 -0.0271 0.0910 -0.0452 2254 HOH C O 9308 O O . HOH BA . ? 0.5180 0.4834 0.5168 0.0850 0.0879 -0.1035 2255 HOH C O 9309 O O . HOH BA . ? 0.2420 0.2343 0.1848 -0.0253 -0.0523 -0.0078 2256 HOH C O 9310 O O . HOH BA . ? 0.5741 0.2930 0.1619 -0.0730 0.0367 0.0077 2257 HOH C O 9311 O O . HOH BA . ? 0.6158 0.5672 0.6361 -0.0096 -0.0477 0.0399 2258 HOH C O 9312 O O . HOH BA . ? 0.3247 0.4496 0.3063 -0.0972 0.0049 -0.0415 2259 HOH C O 9313 O O . HOH BA . ? 0.3066 0.1601 0.2847 0.1024 0.0141 0.0591 2260 HOH C O 9314 O O . HOH BA . ? 0.3148 0.3884 0.4162 -0.0797 0.1643 0.0730 2261 HOH C O 9315 O O . HOH BA . ? 0.2612 0.5552 0.2781 -0.1204 0.0319 0.1264 2262 HOH C O 9316 O O . HOH BA . ? 0.4153 0.5180 0.5999 -0.0025 0.1110 0.0360 2263 HOH C O 9317 O O . HOH CA . ? 0.5455 0.4723 0.5930 -0.0453 0.0194 -0.0032 2001 HOH D O 9318 O O . HOH CA . ? 0.5661 0.4447 0.4943 0.0552 0.1068 -0.0501 2002 HOH D O 9319 O O . HOH CA . ? 0.4285 0.5330 0.4862 0.0579 -0.0209 0.0205 2003 HOH D O 9320 O O . HOH CA . ? 0.6817 0.6860 0.6753 0.0291 -0.0152 -0.0167 2004 HOH D O 9321 O O . HOH CA . ? 0.5145 0.4177 0.5232 0.0820 0.0237 0.1425 2005 HOH D O 9322 O O . HOH CA . ? 0.3721 0.4138 0.3868 0.2165 0.0433 -0.0263 2006 HOH D O 9323 O O . HOH CA . ? 0.1636 0.3077 0.3702 0.0974 -0.0055 0.0728 2007 HOH D O 9324 O O . HOH CA . ? 0.2011 0.2496 0.1699 0.1221 0.0386 0.0704 2008 HOH D O 9325 O O . HOH CA . ? 0.4443 0.8203 0.4900 -0.1663 -0.1529 0.3220 2009 HOH D O 9326 O O . HOH CA . ? 0.4150 0.2456 0.3749 0.0974 0.0577 -0.1371 2010 HOH D O 9327 O O . HOH CA . ? 0.6502 0.2181 0.3938 0.1355 -0.0647 -0.0303 2011 HOH D O 9328 O O . HOH CA . ? 0.4890 0.4949 0.2428 0.0242 -0.0499 0.0182 2012 HOH D O 9329 O O . HOH CA . ? 0.4392 0.5062 0.2838 0.1766 0.0617 0.1199 2013 HOH D O 9330 O O . HOH CA . ? 0.5016 0.4838 0.5203 -0.1385 -0.0866 -0.0559 2014 HOH D O 9331 O O . HOH CA . ? 0.3711 0.1558 0.1195 0.0476 0.0148 -0.0125 2015 HOH D O 9332 O O . HOH CA . ? 0.4792 0.3517 0.4361 -0.0687 -0.0347 0.0826 2016 HOH D O 9333 O O . HOH CA . ? 0.5419 0.4527 0.5454 -0.0822 -0.2588 -0.1202 2017 HOH D O 9334 O O . HOH CA . ? 0.6019 0.5856 0.6116 0.0136 0.0095 -0.0657 2018 HOH D O 9335 O O . HOH CA . ? 0.3142 0.4576 0.3510 0.2081 0.0350 0.0960 2019 HOH D O 9336 O O . HOH CA . ? 0.6296 0.2539 0.2146 -0.1713 0.0506 0.0010 2020 HOH D O 9337 O O . HOH CA . ? 0.6136 0.5275 0.6572 -0.0658 -0.0685 -0.0087 2021 HOH D O 9338 O O . HOH CA . ? 0.2218 0.5368 0.2399 -0.0469 -0.0723 -0.0723 2022 HOH D O 9339 O O . HOH CA . ? 0.4280 0.3549 0.4568 0.0207 -0.1449 0.0175 2023 HOH D O 9340 O O . HOH CA . ? 0.3065 0.2725 0.5727 0.0897 -0.0513 -0.0573 2024 HOH D O 9341 O O . HOH CA . ? 0.5151 0.5551 0.5635 0.0339 0.0661 0.0491 2025 HOH D O 9342 O O . HOH CA . ? 0.5900 0.5956 0.4686 -0.0051 -0.0347 -0.0315 2026 HOH D O 9343 O O . HOH CA . ? 0.1898 0.1527 0.1184 -0.0273 0.0800 0.0026 2027 HOH D O 9344 O O . HOH CA . ? 0.2515 0.1340 0.0902 0.0356 0.0564 0.0032 2028 HOH D O 9345 O O . HOH CA . ? 0.2062 0.1213 0.0842 -0.0357 0.0154 0.0013 2029 HOH D O 9346 O O . HOH CA . ? 0.3059 0.3498 0.3602 -0.0651 -0.0276 0.0684 2030 HOH D O 9347 O O . HOH CA . ? 0.2873 0.4682 0.3497 -0.0722 -0.0815 -0.1665 2031 HOH D O 9348 O O . HOH CA . ? 0.4497 0.3122 0.3169 -0.0696 -0.0893 -0.0145 2032 HOH D O 9349 O O . HOH CA . ? 0.4930 0.4519 0.3256 -0.0027 0.1460 0.1117 2033 HOH D O 9350 O O . HOH CA . ? 0.3168 0.2347 0.1130 0.0932 0.0545 0.0133 2034 HOH D O 9351 O O . HOH CA . ? 0.4712 0.3742 0.1787 0.0066 -0.0479 -0.1118 2035 HOH D O 9352 O O . HOH CA . ? 0.4425 0.2336 0.4398 -0.0520 -0.0832 0.0406 2036 HOH D O 9353 O O . HOH CA . ? 0.6112 0.6100 0.4984 -0.0007 -0.0346 -0.1286 2037 HOH D O 9354 O O . HOH CA . ? 0.4567 0.3821 0.3471 0.0946 -0.0440 -0.0549 2038 HOH D O 9355 O O . HOH CA . ? 0.5110 0.4906 0.1788 0.0035 0.0330 0.1192 2039 HOH D O 9356 O O . HOH CA . ? 0.2954 0.3467 0.1925 -0.1194 -0.1066 0.0454 2040 HOH D O 9357 O O . HOH CA . ? 0.2467 0.5042 0.2599 -0.1644 -0.0116 0.0992 2041 HOH D O 9358 O O . HOH CA . ? 0.5040 0.3497 0.4325 0.0270 -0.0114 -0.0964 2042 HOH D O 9359 O O . HOH CA . ? 0.6008 0.4990 0.6209 0.2802 0.0225 -0.0598 2043 HOH D O 9360 O O . HOH CA . ? 0.5122 0.3622 0.4404 0.1946 -0.0272 -0.0918 2044 HOH D O 9361 O O . HOH CA . ? 0.4156 0.4233 0.4304 0.0953 0.1435 -0.0198 2045 HOH D O 9362 O O . HOH CA . ? 0.2812 0.4401 0.4722 -0.1372 0.1582 -0.1478 2046 HOH D O 9363 O O . HOH CA . ? 0.1319 0.1347 0.1107 -0.0239 0.0124 -0.0036 2047 HOH D O 9364 O O . HOH CA . ? 0.2605 0.3065 0.1826 -0.0746 0.0554 0.0398 2048 HOH D O 9365 O O . HOH CA . ? 0.3360 0.8787 0.3643 -0.0914 -0.0733 0.0761 2049 HOH D O 9366 O O . HOH CA . ? 0.5188 0.8994 0.3977 0.1197 0.1231 0.2618 2050 HOH D O 9367 O O . HOH CA . ? 0.4299 0.3479 0.2757 0.0468 0.1594 0.1151 2051 HOH D O 9368 O O . HOH CA . ? 0.4532 0.4658 0.2397 0.1898 -0.0018 0.1103 2052 HOH D O 9369 O O . HOH CA . ? 0.4084 0.3630 0.3556 -0.0224 -0.0550 -0.0588 2053 HOH D O 9370 O O . HOH CA . ? 0.1868 0.1822 0.3275 0.0401 0.0889 0.0979 2054 HOH D O 9371 O O . HOH CA . ? 0.2221 0.3418 0.2195 -0.0213 -0.0582 0.1243 2055 HOH D O 9372 O O . HOH CA . ? 0.6559 0.3437 0.2389 0.2223 -0.1053 -0.0564 2056 HOH D O 9373 O O . HOH CA . ? 0.4844 0.4419 0.4100 -0.0782 -0.0355 0.0243 2057 HOH D O 9374 O O . HOH CA . ? 0.3638 0.3379 0.3605 -0.0701 0.0708 -0.1026 2058 HOH D O 9375 O O . HOH CA . ? 0.5173 0.5289 0.4030 0.0072 0.0781 -0.1091 2059 HOH D O 9376 O O . HOH CA . ? 0.5724 0.5748 0.5553 0.0397 -0.0275 -0.0196 2060 HOH D O 9377 O O . HOH CA . ? 0.3150 0.3571 0.4483 -0.0184 0.0306 -0.0466 2061 HOH D O 9378 O O . HOH CA . ? 0.2926 0.2205 0.1833 0.0607 0.0618 0.0009 2062 HOH D O 9379 O O . HOH CA . ? 0.2307 0.1464 0.0927 0.0303 0.0193 -0.0444 2063 HOH D O 9380 O O . HOH CA . ? 0.3353 0.4042 0.1503 -0.0635 0.0418 -0.0199 2064 HOH D O 9381 O O . HOH CA . ? 0.4762 0.4274 0.4118 0.0235 0.1233 -0.0694 2065 HOH D O 9382 O O . HOH CA . ? 0.4864 0.5168 0.5051 -0.0763 -0.0708 -0.0617 2066 HOH D O 9383 O O . HOH CA . ? 0.2826 0.4801 0.4524 -0.0317 -0.0144 0.0336 2067 HOH D O 9384 O O . HOH CA . ? 0.3920 0.1659 0.1497 0.0666 -0.0314 0.0073 2068 HOH D O 9385 O O . HOH CA . ? 0.3485 0.5191 0.7803 -0.1149 -0.0129 0.1759 2069 HOH D O 9386 O O . HOH CA . ? 0.1461 0.0940 0.1478 0.0269 0.0149 -0.0282 2070 HOH D O 9387 O O . HOH CA . ? 0.3925 0.3217 0.4498 0.1678 -0.0183 -0.0152 2071 HOH D O 9388 O O . HOH CA . ? 0.1055 0.1264 0.1029 0.0061 -0.0198 -0.0065 2072 HOH D O 9389 O O . HOH CA . ? 0.5874 0.3176 0.1844 -0.0267 -0.0743 0.0046 2073 HOH D O 9390 O O . HOH CA . ? 0.1309 0.1823 0.0871 0.0133 0.0190 -0.0506 2074 HOH D O 9391 O O . HOH CA . ? 0.2003 0.1611 0.1389 0.0164 0.0302 0.0164 2075 HOH D O 9392 O O . HOH CA . ? 0.1423 0.1817 0.1265 -0.0139 -0.0011 -0.0430 2076 HOH D O 9393 O O . HOH CA . ? 0.0992 0.1514 0.0445 0.0255 0.0080 0.0133 2077 HOH D O 9394 O O . HOH CA . ? 0.5366 0.4772 0.5109 0.0559 -0.1013 0.0445 2078 HOH D O 9395 O O . HOH CA . ? 0.2437 0.2632 0.2547 -0.0488 0.0391 -0.1183 2079 HOH D O 9396 O O . HOH CA . ? 0.4011 0.2516 0.3707 0.1024 0.0835 -0.0679 2080 HOH D O 9397 O O . HOH CA . ? 0.2520 0.1701 0.0870 0.0227 0.0051 -0.0003 2081 HOH D O 9398 O O . HOH CA . ? 0.1401 0.1130 0.0534 0.0432 0.0260 0.0144 2082 HOH D O 9399 O O . HOH CA . ? 0.1775 0.1676 0.0946 -0.0024 0.0088 -0.0060 2083 HOH D O 9400 O O . HOH CA . ? 0.2038 0.2315 0.2353 0.0316 -0.0330 -0.0484 2084 HOH D O 9401 O O . HOH CA . ? 0.2319 0.2800 0.1386 -0.0155 -0.0382 -0.0912 2085 HOH D O 9402 O O . HOH CA . ? 0.4784 0.4403 0.5717 0.1387 0.0355 -0.0643 2086 HOH D O 9403 O O . HOH CA . ? 0.4206 0.3739 0.3137 0.0453 -0.0107 0.0894 2087 HOH D O 9404 O O . HOH CA . ? 0.1538 0.1915 0.2374 0.0097 -0.0444 -0.0476 2088 HOH D O 9405 O O . HOH CA . ? 0.4949 0.1635 0.3140 0.0226 -0.1589 0.0254 2089 HOH D O 9406 O O . HOH CA . ? 0.2347 0.1738 0.1516 0.0121 0.0272 -0.0316 2090 HOH D O 9407 O O . HOH CA . ? 0.1337 0.1157 0.0549 -0.0186 0.0152 0.0008 2091 HOH D O 9408 O O . HOH CA . ? 0.0970 0.1560 0.1183 -0.0039 0.0072 -0.0375 2092 HOH D O 9409 O O . HOH CA . ? 0.3316 0.3082 0.1744 -0.1129 -0.0358 0.0372 2093 HOH D O 9410 O O . HOH CA . ? 0.5086 0.4591 0.6160 -0.2199 -0.1306 -0.1413 2094 HOH D O 9411 O O . HOH CA . ? 0.1179 0.0872 0.0808 -0.0026 0.0072 0.0266 2095 HOH D O 9412 O O . HOH CA . ? 0.4906 0.3468 0.4268 0.0712 -0.0336 0.1455 2096 HOH D O 9413 O O . HOH CA . ? 0.1643 0.1759 0.1170 -0.0278 0.0145 0.0286 2097 HOH D O 9414 O O . HOH CA . ? 0.3776 0.2202 0.0995 0.0132 0.0026 -0.0012 2098 HOH D O 9415 O O . HOH CA . ? 0.2447 0.1713 0.1423 0.0356 0.0917 0.0132 2099 HOH D O 9416 O O . HOH CA . ? 0.3658 0.3757 0.3692 -0.1011 0.0910 0.0180 2100 HOH D O 9417 O O . HOH CA . ? 0.6048 0.5839 0.5646 0.0196 -0.0618 -0.0655 2101 HOH D O 9418 O O . HOH CA . ? 0.1702 0.3825 0.1322 -0.0059 0.0420 0.0454 2102 HOH D O 9419 O O . HOH CA . ? 0.3110 0.1509 0.2218 0.0001 0.0738 0.0790 2103 HOH D O 9420 O O . HOH CA . ? 0.5193 0.3932 0.2890 -0.0599 0.0190 0.1282 2104 HOH D O 9421 O O . HOH CA . ? 0.3952 0.2875 0.1880 -0.1456 -0.0357 0.0656 2105 HOH D O 9422 O O . HOH CA . ? 0.2767 0.1716 0.2053 -0.0882 0.0366 0.0507 2106 HOH D O 9423 O O . HOH CA . ? 0.2978 0.4896 0.3427 -0.0865 -0.0224 0.0015 2107 HOH D O 9424 O O . HOH CA . ? 0.4977 0.4235 0.3425 -0.1447 0.0346 0.1738 2108 HOH D O 9425 O O . HOH CA . ? 0.3618 0.3469 0.3887 0.0686 0.1274 0.1320 2109 HOH D O 9426 O O . HOH CA . ? 0.4049 0.4477 0.3540 -0.0286 0.0046 0.0969 2110 HOH D O 9427 O O . HOH CA . ? 0.5712 0.4936 0.7049 -0.0830 0.1435 0.0520 2111 HOH D O 9428 O O . HOH CA . ? 0.5008 0.5326 0.4521 0.1798 -0.2062 0.0590 2112 HOH D O 9429 O O . HOH CA . ? 0.2828 0.1899 0.2026 -0.0282 0.0032 -0.0147 2113 HOH D O 9430 O O . HOH CA . ? 0.4950 0.2279 0.4812 0.0373 0.2235 0.1002 2114 HOH D O 9431 O O . HOH CA . ? 0.4095 0.2888 0.3785 0.1660 -0.0587 0.0793 2115 HOH D O 9432 O O . HOH CA . ? 0.2588 0.2278 0.1330 -0.0074 -0.0142 0.0014 2116 HOH D O 9433 O O . HOH CA . ? 0.4686 0.4346 0.3552 0.0929 0.0938 -0.0995 2117 HOH D O 9434 O O . HOH CA . ? 0.4251 0.1386 0.3231 0.0860 -0.0216 -0.0102 2118 HOH D O 9435 O O . HOH CA . ? 0.1858 0.1910 0.2274 0.0424 -0.0099 0.0127 2119 HOH D O 9436 O O . HOH CA . ? 0.2011 0.3953 0.5453 0.1054 0.0777 0.0220 2120 HOH D O 9437 O O . HOH CA . ? 0.4939 0.4268 0.4357 -0.0280 0.0203 0.0592 2121 HOH D O 9438 O O . HOH CA . ? 0.4522 0.2920 0.3250 0.0829 -0.1493 0.0668 2122 HOH D O 9439 O O . HOH CA . ? 0.5442 0.5885 0.5230 0.0401 0.0836 0.0104 2123 HOH D O 9440 O O . HOH CA . ? 0.3782 0.3788 0.2355 0.1524 0.0460 0.1084 2124 HOH D O 9441 O O . HOH CA . ? 0.4066 0.3817 0.3996 -0.0109 0.0258 -0.0061 2125 HOH D O 9442 O O . HOH CA . ? 0.5641 0.4437 0.1850 0.0046 -0.0152 -0.0519 2126 HOH D O 9443 O O . HOH CA . ? 0.5090 0.3768 0.2706 0.0162 0.1506 0.1176 2127 HOH D O 9444 O O . HOH CA . ? 0.4476 0.4670 0.4749 0.1388 0.2113 -0.0707 2128 HOH D O 9445 O O . HOH CA . ? 0.4810 0.4152 0.5265 0.0245 0.0844 -0.1425 2129 HOH D O 9446 O O . HOH CA . ? 0.4304 0.4047 0.2318 0.1979 -0.0842 -0.1208 2130 HOH D O 9447 O O . HOH CA . ? 0.6785 0.5725 0.6084 0.0949 -0.0093 0.0204 2131 HOH D O 9448 O O . HOH CA . ? 0.5019 0.3475 0.5126 -0.0804 0.0707 -0.0363 2132 HOH D O 9449 O O . HOH CA . ? 0.5343 0.4458 0.4423 -0.0953 0.0094 0.0202 2133 HOH D O 9450 O O . HOH CA . ? 0.2214 0.0927 0.2227 -0.0332 -0.0267 0.0422 2134 HOH D O 9451 O O . HOH CA . ? 0.3716 0.2592 0.1825 -0.0180 -0.0661 0.0301 2135 HOH D O 9452 O O . HOH CA . ? 0.3362 0.1897 0.3305 0.0622 0.0611 0.1037 2136 HOH D O 9453 O O . HOH CA . ? 0.2688 0.2109 0.5978 0.0195 -0.0650 -0.0137 2137 HOH D O 9454 O O . HOH CA . ? 0.1875 0.1939 0.2222 0.0492 -0.0053 0.0445 2138 HOH D O 9455 O O . HOH CA . ? 0.1717 0.2106 0.2667 -0.0278 0.0597 0.0124 2139 HOH D O 9456 O O . HOH CA . ? 0.2726 0.3276 0.2675 0.1102 0.0208 -0.1257 2140 HOH D O 9457 O O . HOH CA . ? 0.5064 0.3258 0.4676 -0.0108 0.0573 0.1296 2141 HOH D O 9458 O O . HOH CA . ? 0.2786 0.3949 0.1995 -0.0095 -0.0375 -0.0388 2142 HOH D O 9459 O O . HOH CA . ? 0.2054 0.3924 0.3246 0.0844 0.0313 0.0037 2143 HOH D O 9460 O O . HOH CA . ? 0.5914 0.5242 0.6529 0.0320 0.0129 -0.0113 2144 HOH D O 9461 O O . HOH CA . ? 0.2171 0.3615 0.2595 0.0310 0.0716 -0.0860 2145 HOH D O 9462 O O . HOH CA . ? 0.4377 0.5583 0.4605 0.0641 0.0027 0.0555 2146 HOH D O 9463 O O . HOH CA . ? 0.2399 0.3398 0.1390 0.0008 0.0433 -0.0871 2147 HOH D O 9464 O O . HOH CA . ? 0.1770 0.5630 0.2637 0.0178 0.0329 -0.1302 2148 HOH D O 9465 O O . HOH CA . ? 0.4455 0.2886 0.3046 0.1336 0.0946 -0.0762 2149 HOH D O 9466 O O . HOH CA . ? 0.4619 0.4903 0.3364 0.0342 0.0027 -0.0104 2150 HOH D O 9467 O O . HOH CA . ? 0.5720 0.4137 0.3416 -0.0229 0.1272 0.1792 2151 HOH D O 9468 O O . HOH CA . ? 0.1654 0.2996 0.2310 -0.0032 0.0163 -0.1525 2152 HOH D O 9469 O O . HOH CA . ? 0.3183 0.2252 0.1641 0.0893 0.0047 0.0013 2153 HOH D O 9470 O O . HOH CA . ? 0.2417 0.2753 0.4297 -0.0759 0.0979 0.0385 2154 HOH D O 9471 O O . HOH CA . ? 0.1624 0.2871 0.1043 0.0591 0.0250 -0.0351 2155 HOH D O 9472 O O . HOH CA . ? 0.4438 0.3021 0.2686 0.0047 -0.0112 0.1087 2156 HOH D O 9473 O O . HOH CA . ? 0.1132 0.1194 0.0628 -0.0011 0.0102 0.0023 2157 HOH D O 9474 O O . HOH CA . ? 0.4442 0.3230 0.3377 -0.1194 0.0249 0.0521 2158 HOH D O 9475 O O . HOH CA . ? 0.1520 0.1025 0.1091 -0.0142 -0.0185 0.0192 2159 HOH D O 9476 O O . HOH CA . ? 0.2635 0.1957 0.1419 -0.0396 0.0235 0.0328 2160 HOH D O 9477 O O . HOH CA . ? 0.4754 0.4999 0.5020 0.0490 0.0741 -0.0142 2161 HOH D O 9478 O O . HOH CA . ? 0.4624 0.4573 0.2327 0.2304 -0.0463 -0.0626 2162 HOH D O 9479 O O . HOH CA . ? 0.3467 0.4230 0.3218 -0.0445 -0.0614 -0.0717 2163 HOH D O 9480 O O . HOH CA . ? 0.4270 0.5146 0.3016 0.1362 -0.0091 0.0275 2164 HOH D O 9481 O O . HOH CA . ? 0.3157 0.4406 0.4565 -0.0490 0.1104 -0.1589 2165 HOH D O 9482 O O . HOH CA . ? 0.1476 0.1720 0.1875 0.0086 -0.0383 0.0121 2166 HOH D O 9483 O O . HOH CA . ? 0.3594 0.1479 0.2717 -0.0417 -0.0268 -0.0147 2167 HOH D O 9484 O O . HOH CA . ? 0.2571 0.1990 0.1449 0.0006 -0.0054 0.0346 2168 HOH D O 9485 O O . HOH CA . ? 0.1574 0.2660 0.1794 -0.0005 0.0233 -0.0254 2169 HOH D O 9486 O O . HOH CA . ? 0.4473 0.5182 0.5872 -0.0615 0.0359 0.1709 2170 HOH D O 9487 O O . HOH CA . ? 0.3545 0.4796 0.3827 -0.1887 -0.1307 0.1215 2171 HOH D O 9488 O O . HOH CA . ? 0.3628 0.2431 0.4874 0.0057 -0.2461 -0.0061 2172 HOH D O 9489 O O . HOH CA . ? 0.4073 0.3481 0.2308 -0.1797 -0.1322 0.0762 2173 HOH D O 9490 O O . HOH CA . ? 0.5633 0.2674 0.4465 -0.0177 0.1522 0.0335 2174 HOH D O 9491 O O . HOH CA . ? 0.4624 0.3947 0.4162 -0.0989 -0.0118 -0.0672 2175 HOH D O 9492 O O . HOH CA . ? 0.2402 0.5460 0.2788 0.0284 0.0216 0.0932 2176 HOH D O 9493 O O . HOH CA . ? 0.3672 0.4496 0.3528 -0.0009 0.1105 -0.0536 2177 HOH D O 9494 O O . HOH CA . ? 0.4173 0.6548 0.2123 -0.0748 -0.0995 0.0173 2178 HOH D O 9495 O O . HOH CA . ? 0.5554 0.6695 0.3609 0.0564 -0.0009 -0.1232 2179 HOH D O 9496 O O . HOH CA . ? 0.3659 0.5634 0.3451 -0.0734 0.0682 0.0548 2180 HOH D O 9497 O O . HOH CA . ? 0.2826 0.3536 0.2595 -0.0670 0.0853 0.1194 2181 HOH D O 9498 O O . HOH CA . ? 0.3858 0.5151 0.2051 -0.1107 0.0564 0.0912 2182 HOH D O 9499 O O . HOH CA . ? 0.4708 0.4267 0.4373 0.0798 0.0253 0.0148 2183 HOH D O 9500 O O . HOH CA . ? 0.3984 0.3947 0.3573 -0.0163 0.0582 0.0256 2184 HOH D O 9501 O O . HOH CA . ? 0.3991 0.4656 0.3103 0.1659 0.0984 0.0026 2185 HOH D O 9502 O O . HOH CA . ? 0.3309 0.3556 0.4046 0.0100 0.2162 0.0103 2186 HOH D O 9503 O O . HOH CA . ? 0.4624 0.4533 0.4250 0.0033 0.0269 -0.0385 2187 HOH D O 9504 O O . HOH CA . ? 0.1451 0.0836 0.0628 -0.0312 0.0054 -0.0059 2188 HOH D O 9505 O O . HOH CA . ? 0.1645 0.0927 0.0777 0.0016 0.0038 -0.0068 2189 HOH D O 9506 O O . HOH CA . ? 0.2632 0.1250 0.1205 -0.0252 0.0017 -0.0238 2190 HOH D O 9507 O O . HOH CA . ? 0.3698 0.2830 0.5663 -0.0849 -0.0298 -0.1716 2191 HOH D O 9508 O O . HOH CA . ? 0.2671 0.2908 0.1591 -0.1061 0.0706 0.0166 2192 HOH D O 9509 O O . HOH CA . ? 0.2755 0.5724 0.3995 0.0765 0.0207 0.1390 2193 HOH D O 9510 O O . HOH CA . ? 0.1255 0.2653 0.2186 -0.0678 -0.0260 0.0459 2194 HOH D O 9511 O O . HOH CA . ? 0.2636 0.4593 0.4894 -0.0516 -0.0678 -0.1021 2195 HOH D O 9512 O O . HOH CA . ? 0.3016 0.2941 0.5003 -0.0164 -0.0122 0.1903 2196 HOH D O 9513 O O . HOH CA . ? 0.4477 0.5014 0.5679 -0.1262 0.0214 0.0304 2197 HOH D O 9514 O O . HOH CA . ? 0.2809 0.1637 0.2990 -0.1146 0.0029 -0.0306 2198 HOH D O 9515 O O . HOH CA . ? 0.3584 0.4582 0.3059 0.2068 0.0728 0.0930 2199 HOH D O 9516 O O . HOH CA . ? 0.5404 0.5959 0.6184 0.0433 0.0265 0.0244 2200 HOH D O 9517 O O . HOH CA . ? 0.6405 0.6104 0.6448 0.0195 -0.0016 0.0118 2201 HOH D O 9518 O O . HOH CA . ? 0.2165 0.1073 0.1412 0.0343 0.0791 0.0434 2202 HOH D O 9519 O O . HOH CA . ? 0.1649 0.0928 0.0735 0.0075 0.0143 -0.0291 2203 HOH D O 9520 O O . HOH CA . ? 0.3981 0.2271 0.3955 0.0031 -0.1948 -0.0845 2204 HOH D O 9521 O O . HOH CA . ? 0.7461 0.3387 0.2260 -0.1472 0.0535 -0.0215 2205 HOH D O 9522 O O . HOH CA . ? 0.4719 0.2862 0.5527 0.0272 0.2040 0.1590 2206 HOH D O 9523 O O . HOH CA . ? 0.3853 0.2066 0.3654 0.0515 0.0905 -0.0256 2207 HOH D O 9524 O O . HOH CA . ? 0.2702 0.1771 0.1845 0.0229 0.0228 -0.0464 2208 HOH D O 9525 O O . HOH CA . ? 0.5460 0.6072 0.4641 0.1610 -0.0613 -0.2888 2209 HOH D O 9526 O O . HOH CA . ? 0.7407 0.5186 0.4603 0.1045 0.0708 -0.2608 2210 HOH D O 9527 O O . HOH CA . ? 0.5277 0.4486 0.4719 -0.0035 0.1439 0.0365 2211 HOH D O 9528 O O . HOH CA . ? 0.2918 0.2989 0.0928 -0.0089 -0.0331 -0.0435 2212 HOH D O 9529 O O . HOH CA . ? 0.3804 0.3495 0.3186 -0.1174 -0.1838 0.0353 2213 HOH D O 9530 O O . HOH CA . ? 0.3194 0.3558 0.5734 0.0713 -0.0463 0.0818 2214 HOH D O 9531 O O . HOH CA . ? 0.3748 0.1421 0.2244 0.0194 0.0026 -0.0442 2215 HOH D O 9532 O O . HOH CA . ? 0.3436 0.2564 0.3533 -0.1304 0.0186 0.0367 2216 HOH D O 9533 O O . HOH CA . ? 0.5521 0.6232 0.5683 -0.0688 -0.0574 0.0432 2217 HOH D O 9534 O O . HOH CA . ? 0.6342 0.8916 0.5054 -0.2903 -0.2228 0.0002 2218 HOH D O 9535 O O . HOH CA . ? 0.1421 0.1126 0.1337 0.0488 0.0127 0.0226 2219 HOH D O 9536 O O . HOH CA . ? 0.4589 0.4308 0.4554 0.1660 -0.0031 -0.0112 2220 HOH D O 9537 O O . HOH CA . ? 0.5549 0.4263 0.4921 -0.0306 -0.0253 0.0304 2221 HOH D O 9538 O O . HOH CA . ? 0.2042 0.1413 0.4303 -0.0149 0.0079 0.0855 2222 HOH D O 9539 O O . HOH CA . ? 0.7515 0.2332 0.4824 -0.1241 -0.1050 0.0192 2223 HOH D O 9540 O O . HOH CA . ? 0.4552 0.2810 0.5041 0.0153 0.0838 -0.0984 2224 HOH D O 9541 O O . HOH CA . ? 0.6026 0.5759 0.5999 0.0201 0.0805 0.0770 2225 HOH D O 9542 O O . HOH CA . ? 0.5556 0.4229 0.4915 0.1734 -0.1052 -0.1217 2226 HOH D O 9543 O O . HOH CA . ? 0.4869 0.3898 0.4000 -0.0930 -0.0642 -0.0479 2227 HOH D O 9544 O O . HOH CA . ? 0.2568 0.4405 0.2468 0.1122 -0.0329 -0.1085 2228 HOH D O 9545 O O . HOH CA . ? 0.3024 0.5486 0.1872 -0.1718 0.0207 -0.0836 2229 HOH D O 9546 O O . HOH CA . ? 0.3035 0.2891 0.2037 0.0232 0.0059 0.0663 2230 HOH D O 9547 O O . HOH CA . ? 0.3641 0.5424 0.3740 0.0201 -0.0210 0.1072 2231 HOH D O 9548 O O . HOH CA . ? 0.4109 0.5343 0.5086 0.1574 0.1797 -0.0903 2232 HOH D O 9549 O O . HOH CA . ? 0.5564 0.4243 0.3569 0.1320 0.0638 -0.1780 2233 HOH D O 9550 O O . HOH CA . ? 0.4564 0.4027 0.3474 0.0784 -0.0034 -0.0164 2234 HOH D O 9551 O O . HOH CA . ? 0.1312 0.1970 0.1794 0.0532 0.0755 0.0525 2235 HOH D O 9552 O O . HOH CA . ? 0.5963 0.3125 0.4731 0.0367 0.0488 -0.2110 2236 HOH D O 9553 O O . HOH CA . ? 0.2510 0.2570 0.3606 0.0826 -0.0055 -0.0183 2237 HOH D O 9554 O O . HOH CA . ? 0.3045 0.3966 0.3379 -0.0025 -0.0849 -0.0749 2238 HOH D O 9555 O O . HOH CA . ? 0.5557 0.3074 0.2523 0.1393 0.0585 -0.0595 2239 HOH D O 9556 O O . HOH CA . ? 0.3944 0.3448 0.4322 0.1589 -0.0546 -0.1249 2240 HOH D O 9557 O O . HOH CA . ? 0.4552 0.6438 0.3384 0.1170 0.1197 -0.0288 2241 HOH D O 9558 O O . HOH CA . ? 0.2823 0.4205 0.3049 0.1038 0.0210 0.0532 2242 HOH D O 9559 O O . HOH CA . ? 0.2433 0.3100 0.2513 0.1593 -0.0206 0.0047 2243 HOH D O 9560 O O . HOH CA . ? 0.5346 0.6073 0.5704 0.1496 -0.0807 0.1112 2244 HOH D O 9561 O O . HOH CA . ? 0.2560 0.3440 0.3629 0.1311 0.0221 -0.0047 2245 HOH D O 9562 O O . HOH CA . ? 0.1942 0.5006 0.4337 -0.1128 0.0678 -0.0844 2246 HOH D O 9563 O O . HOH CA . ? 0.1829 0.5650 0.5043 0.0585 0.0439 0.0719 2247 HOH D O 9564 O O . HOH CA . ? 0.2628 0.2720 0.1406 0.0989 -0.0005 -0.0324 2248 HOH D O 9565 O O . HOH CA . ? 0.2752 0.2996 0.3110 0.1591 0.0423 0.0814 2249 HOH D O 9566 O O . HOH CA . ? 0.1115 0.1769 0.3670 0.0235 -0.0457 -0.0008 2250 HOH D O 9567 O O . HOH CA . ? 0.4924 0.3514 0.4502 0.1998 -0.0449 -0.0806 2251 HOH D O 9568 O O . HOH CA . ? 0.5054 0.4317 0.5341 0.0786 0.0256 0.0072 2252 HOH D O 9569 O O . HOH CA . ? 0.4763 0.2168 0.3916 0.0899 -0.1521 -0.0187 2253 HOH D O 9570 O O . HOH CA . ? 0.4565 0.4228 0.4285 0.0163 0.1321 -0.1748 2254 HOH D O 9571 O O . HOH CA . ? 0.2391 0.1605 0.3606 -0.0172 0.0806 0.0202 2255 HOH D O 9572 O O . HOH CA . ? 0.5425 0.5809 0.5684 -0.0202 -0.0321 0.0344 2256 HOH D O 9573 O O . HOH CA . ? 0.3229 0.2482 0.2457 -0.0219 -0.0170 0.1091 2257 HOH D O 9574 O O . HOH CA . ? 0.3861 0.4149 0.4218 -0.1131 0.1662 -0.1244 2258 HOH D O 9575 O O . HOH CA . ? 0.3820 0.3313 0.5374 0.0287 -0.0851 0.0410 2259 HOH D O 9576 O O . HOH CA . ? 0.2923 0.5783 0.2971 -0.0695 0.0249 -0.2162 2260 HOH D O 9577 O O . HOH CA . ? 0.5114 0.6103 0.3310 0.0241 -0.2184 -0.0820 2261 HOH D O 9578 O O . HOH DA . ? 0.5373 0.5591 0.5055 0.0231 0.0484 0.0501 2001 HOH E O 9579 O O . HOH DA . ? 0.5102 0.4077 0.3242 0.0923 -0.0302 0.1899 2002 HOH E O 9580 O O . HOH DA . ? 0.4063 0.3266 0.1588 -0.1353 -0.0819 0.0450 2003 HOH E O 9581 O O . HOH DA . ? 0.6272 0.4180 0.3407 -0.1114 0.1142 0.0079 2004 HOH E O 9582 O O . HOH DA . ? 0.4004 0.2752 0.3202 0.0221 0.0514 0.1477 2005 HOH E O 9583 O O . HOH DA . ? 0.3215 0.3109 0.2316 -0.0188 -0.0784 0.1055 2006 HOH E O 9584 O O . HOH DA . ? 0.4493 0.2696 0.3448 -0.0298 -0.0511 0.0483 2007 HOH E O 9585 O O . HOH DA . ? 0.2891 0.2142 0.1244 -0.0274 -0.0152 0.0787 2008 HOH E O 9586 O O . HOH DA . ? 0.2502 0.3391 0.1479 -0.0713 0.0069 0.0589 2009 HOH E O 9587 O O . HOH DA . ? 0.5613 0.5700 0.1949 -0.0149 0.0926 0.0352 2010 HOH E O 9588 O O . HOH DA . ? 0.4311 0.1187 0.1169 -0.0268 -0.0097 0.0075 2011 HOH E O 9589 O O . HOH DA . ? 0.5005 0.3338 0.5497 -0.0451 -0.1577 -0.1011 2012 HOH E O 9590 O O . HOH DA . ? 0.2578 0.2350 0.5438 -0.0123 0.0252 -0.0878 2013 HOH E O 9591 O O . HOH DA . ? 0.5202 0.4718 0.5052 0.0888 -0.1297 0.1448 2014 HOH E O 9592 O O . HOH DA . ? 0.3889 0.3870 0.3926 -0.0174 -0.0358 -0.0060 2015 HOH E O 9593 O O . HOH DA . ? 0.2176 0.1549 0.5672 0.0063 0.1263 0.0007 2016 HOH E O 9594 O O . HOH DA . ? 0.5763 0.4809 0.5770 0.0088 -0.0493 0.0232 2017 HOH E O 9595 O O . HOH DA . ? 0.6304 0.4509 0.3787 -0.0279 -0.0459 0.0176 2018 HOH E O 9596 O O . HOH DA . ? 0.2895 0.3355 0.1669 -0.0225 0.0340 -0.0331 2019 HOH E O 9597 O O . HOH DA . ? 0.5181 0.3771 0.4614 -0.1296 0.1291 0.1655 2020 HOH E O 9598 O O . HOH DA . ? 0.5977 0.5116 0.5393 -0.1317 0.0192 0.1272 2021 HOH E O 9599 O O . HOH DA . ? 0.1270 0.1650 0.1950 -0.0194 -0.0119 0.0202 2022 HOH E O 9600 O O . HOH DA . ? 0.1867 0.1922 0.2217 -0.0061 0.0061 0.0478 2023 HOH E O 9601 O O . HOH DA . ? 0.5266 0.5641 0.5636 0.0411 -0.0543 -0.0387 2024 HOH E O 9602 O O . HOH DA . ? 0.1403 0.1197 0.1752 -0.0063 0.0297 -0.0640 2025 HOH E O 9603 O O . HOH DA . ? 0.2278 0.3756 0.3934 0.0564 0.0215 -0.1977 2026 HOH E O 9604 O O . HOH DA . ? 0.2800 0.2917 0.4697 -0.0711 0.1116 -0.0732 2027 HOH E O 9605 O O . HOH DA . ? 0.4502 0.4610 0.2524 0.2015 0.0394 0.1295 2028 HOH E O 9606 O O . HOH DA . ? 0.1967 0.2344 0.1904 0.0061 0.0203 0.0157 2029 HOH E O 9607 O O . HOH DA . ? 0.1817 0.2690 0.2492 -0.0259 0.0673 -0.0539 2030 HOH E O 9608 O O . HOH DA . ? 0.1886 0.1785 0.2733 0.0611 0.1063 0.0245 2031 HOH E O 9609 O O . HOH DA . ? 0.4240 0.1836 0.1391 -0.0492 0.0536 -0.0229 2032 HOH E O 9610 O O . HOH DA . ? 0.4528 0.2538 0.5233 -0.0015 0.0902 -0.0884 2033 HOH E O 9611 O O . HOH DA . ? 0.4724 0.3009 0.4972 -0.0145 0.0280 -0.1044 2034 HOH E O 9612 O O . HOH DA . ? 0.3565 0.3318 0.6133 0.0415 0.0803 0.0996 2035 HOH E O 9613 O O . HOH DA . ? 0.2968 0.1946 0.2217 -0.0377 0.1138 -0.0869 2036 HOH E O 9614 O O . HOH DA . ? 0.2731 0.5682 0.3991 -0.0868 0.0450 -0.2616 2037 HOH E O 9615 O O . HOH DA . ? 0.5652 0.2312 0.3498 -0.1407 -0.0582 -0.0490 2038 HOH E O 9616 O O . HOH DA . ? 0.3112 0.4173 0.4468 0.0623 -0.0686 0.0777 2039 HOH E O 9617 O O . HOH DA . ? 0.3843 0.2906 0.3614 0.0409 -0.0978 -0.0357 2040 HOH E O 9618 O O . HOH DA . ? 0.5592 0.2303 0.1724 -0.1386 -0.0108 0.0265 2041 HOH E O 9619 O O . HOH DA . ? 0.1168 0.0971 0.1040 -0.0351 0.0292 -0.0384 2042 HOH E O 9620 O O . HOH DA . ? 0.2571 0.4590 0.2028 -0.0603 0.0386 0.0021 2043 HOH E O 9621 O O . HOH DA . ? 0.2691 0.3994 0.3202 0.0490 0.0338 0.0230 2044 HOH E O 9622 O O . HOH DA . ? 0.1975 0.4450 0.2162 -0.0565 0.0760 -0.0557 2045 HOH E O 9623 O O . HOH DA . ? 0.3007 0.3842 0.3731 -0.0320 0.0974 0.0574 2046 HOH E O 9624 O O . HOH DA . ? 0.5671 0.2731 0.5994 -0.1144 0.2976 -0.0760 2047 HOH E O 9625 O O . HOH DA . ? 0.4603 0.4859 0.2857 -0.2539 -0.1267 0.1517 2048 HOH E O 9626 O O . HOH DA . ? 0.3765 0.4727 0.4302 -0.0363 0.0358 -0.0715 2049 HOH E O 9627 O O . HOH DA . ? 0.5655 0.5536 0.5503 -0.0311 0.0263 -0.0624 2050 HOH E O 9628 O O . HOH DA . ? 0.2044 0.2652 0.1084 -0.0849 -0.0362 0.0392 2051 HOH E O 9629 O O . HOH DA . ? 0.2454 0.2997 0.1139 -0.1069 0.0453 -0.0235 2052 HOH E O 9630 O O . HOH DA . ? 0.3583 0.3616 0.4221 0.1275 0.2031 0.1709 2053 HOH E O 9631 O O . HOH DA . ? 0.5227 0.4981 0.5003 -0.0128 0.0415 0.0220 2054 HOH E O 9632 O O . HOH DA . ? 0.5592 0.4807 0.4772 -0.0630 0.0258 0.0077 2055 HOH E O 9633 O O . HOH DA . ? 0.6434 0.6289 0.6833 -0.0147 0.0156 0.0446 2056 HOH E O 9634 O O . HOH DA . ? 0.4977 0.4685 0.3840 0.0500 -0.0021 -0.0313 2057 HOH E O 9635 O O . HOH DA . ? 0.4105 0.4424 0.4814 0.0420 -0.1003 0.0157 2058 HOH E O 9636 O O . HOH DA . ? 0.2115 0.3361 0.2261 0.0549 0.0043 0.1361 2059 HOH E O 9637 O O . HOH DA . ? 0.4568 0.4834 0.3586 0.1368 -0.0267 -0.0090 2060 HOH E O 9638 O O . HOH DA . ? 0.2530 0.2891 0.3375 0.1112 0.1378 0.0606 2061 HOH E O 9639 O O . HOH DA . ? 0.5224 0.4055 0.4586 -0.0272 -0.0476 -0.0531 2062 HOH E O 9640 O O . HOH DA . ? 0.1490 0.1138 0.1011 0.0233 0.0410 0.0428 2063 HOH E O 9641 O O . HOH DA . ? 0.2509 0.2912 0.2085 0.1359 0.0263 -0.0537 2064 HOH E O 9642 O O . HOH DA . ? 0.3131 0.2919 0.3024 0.0727 0.1010 0.1324 2065 HOH E O 9643 O O . HOH DA . ? 0.4262 0.4176 0.3481 -0.0296 -0.0443 -0.0292 2066 HOH E O 9644 O O . HOH DA . ? 0.1902 0.1151 0.0601 -0.0091 -0.0288 0.0160 2067 HOH E O 9645 O O . HOH DA . ? 0.4636 0.3259 0.2638 -0.0021 0.1684 0.0188 2068 HOH E O 9646 O O . HOH DA . ? 0.5807 0.8447 0.2245 0.0276 0.0211 -0.0698 2069 HOH E O 9647 O O . HOH DA . ? 0.3654 0.3644 0.2598 -0.0029 0.0237 0.0213 2070 HOH E O 9648 O O . HOH DA . ? 0.4520 0.1938 0.1625 -0.0692 0.0224 0.0200 2071 HOH E O 9649 O O . HOH DA . ? 0.4473 0.2040 0.1670 -0.1336 -0.0769 0.0468 2072 HOH E O 9650 O O . HOH DA . ? 0.1335 0.1108 0.0368 -0.0080 0.0102 0.0023 2073 HOH E O 9651 O O . HOH DA . ? 0.1590 0.1770 0.1209 0.0312 0.0156 -0.0176 2074 HOH E O 9652 O O . HOH DA . ? 0.2143 0.1157 0.1779 -0.0139 -0.0233 0.0040 2075 HOH E O 9653 O O . HOH DA . ? 0.1428 0.1200 0.0454 -0.0127 -0.0054 0.0122 2076 HOH E O 9654 O O . HOH DA . ? 0.2402 0.2176 0.1907 0.0375 0.0120 -0.0599 2077 HOH E O 9655 O O . HOH DA . ? 0.4293 0.2736 0.4557 0.0311 0.2302 0.1099 2078 HOH E O 9656 O O . HOH DA . ? 0.3505 0.4726 0.3664 0.1918 0.0799 -0.0741 2079 HOH E O 9657 O O . HOH DA . ? 0.1833 0.1062 0.1732 0.0248 0.0198 -0.0033 2080 HOH E O 9658 O O . HOH DA . ? 0.2004 0.2049 0.1961 0.0521 0.0170 -0.0644 2081 HOH E O 9659 O O . HOH DA . ? 0.2733 0.1872 0.1486 0.0054 0.0363 -0.0149 2082 HOH E O 9660 O O . HOH DA . ? 0.3517 0.3253 0.3499 -0.1538 0.0944 -0.0360 2083 HOH E O 9661 O O . HOH DA . ? 0.4473 0.4935 0.5108 0.0397 -0.1362 0.0706 2084 HOH E O 9662 O O . HOH DA . ? 0.2876 0.1217 0.0857 0.0511 0.0269 -0.0055 2085 HOH E O 9663 O O . HOH DA . ? 0.3367 0.1599 0.2662 -0.0122 0.1316 0.0540 2086 HOH E O 9664 O O . HOH DA . ? 0.2025 0.1230 0.1762 0.0139 -0.0089 0.0045 2087 HOH E O 9665 O O . HOH DA . ? 0.2640 0.2831 0.6559 -0.0883 0.0856 -0.0105 2088 HOH E O 9666 O O . HOH DA . ? 0.1626 0.1471 0.0635 0.0545 -0.0056 -0.0264 2089 HOH E O 9667 O O . HOH DA . ? 0.2524 0.2696 0.1845 0.0184 0.0630 -0.0611 2090 HOH E O 9668 O O . HOH DA . ? 0.1048 0.0937 0.1055 -0.0080 0.0130 -0.0266 2091 HOH E O 9669 O O . HOH DA . ? 0.5141 0.5573 0.5546 -0.0328 -0.0123 -0.0488 2092 HOH E O 9670 O O . HOH DA . ? 0.4390 0.4944 0.4221 0.0114 -0.0010 -0.0348 2093 HOH E O 9671 O O . HOH DA . ? 0.3247 0.3079 0.3324 0.0361 0.0196 -0.0555 2094 HOH E O 9672 O O . HOH DA . ? 0.1035 0.1170 0.0683 -0.0314 0.0166 -0.0165 2095 HOH E O 9673 O O . HOH DA . ? 0.1757 0.2853 0.1332 -0.0684 0.0328 -0.0904 2096 HOH E O 9674 O O . HOH DA . ? 0.3984 0.3679 0.3798 -0.0028 -0.0293 0.0185 2097 HOH E O 9675 O O . HOH DA . ? 0.1302 0.3312 0.1815 -0.0298 0.0557 -0.0229 2098 HOH E O 9676 O O . HOH DA . ? 0.1165 0.3710 0.1731 -0.0052 -0.0131 0.0445 2099 HOH E O 9677 O O . HOH DA . ? 0.2634 0.4179 0.3877 -0.0892 0.0076 0.0746 2100 HOH E O 9678 O O . HOH DA . ? 0.3740 0.4836 0.5064 -0.0556 -0.1256 0.0356 2101 HOH E O 9679 O O . HOH DA . ? 0.3959 0.4072 0.3894 -0.0192 -0.0263 -0.0087 2102 HOH E O 9680 O O . HOH DA . ? 0.2834 0.3705 0.2535 -0.1666 0.0675 0.0073 2103 HOH E O 9681 O O . HOH DA . ? 0.2027 0.2065 0.2747 -0.0554 0.1116 0.0251 2104 HOH E O 9682 O O . HOH DA . ? 0.4970 0.2934 0.5162 -0.1748 -0.0968 -0.0129 2105 HOH E O 9683 O O . HOH DA . ? 0.1804 0.3160 0.1927 0.0060 -0.0075 0.0531 2106 HOH E O 9684 O O . HOH DA . ? 0.1569 0.3372 0.2807 -0.0732 0.0857 -0.0453 2107 HOH E O 9685 O O . HOH DA . ? 0.3770 0.5252 0.2057 0.0487 -0.0159 -0.1449 2108 HOH E O 9686 O O . HOH DA . ? 0.1335 0.1501 0.0743 -0.0461 0.0275 -0.0440 2109 HOH E O 9687 O O . HOH DA . ? 0.6053 0.5779 0.5654 -0.0409 0.0423 0.0310 2110 HOH E O 9688 O O . HOH DA . ? 0.5549 0.3306 0.4843 0.0282 0.1565 -0.0645 2111 HOH E O 9689 O O . HOH DA . ? 0.1954 0.1103 0.1258 0.0156 0.0543 -0.0037 2112 HOH E O 9690 O O . HOH DA . ? 0.3329 0.3549 0.3234 0.0765 0.0335 -0.0060 2113 HOH E O 9691 O O . HOH DA . ? 0.3002 0.0918 0.3168 0.0035 0.0263 0.0354 2114 HOH E O 9692 O O . HOH DA . ? 0.6338 0.5227 0.2482 0.3267 0.0065 -0.0183 2115 HOH E O 9693 O O . HOH DA . ? 0.2192 0.1579 0.1561 -0.0053 0.0031 0.0048 2116 HOH E O 9694 O O . HOH DA . ? 0.4397 0.2553 0.2225 -0.0503 -0.0828 0.0895 2117 HOH E O 9695 O O . HOH DA . ? 0.4151 0.3893 0.3776 0.0340 0.1984 0.1226 2118 HOH E O 9696 O O . HOH DA . ? 0.4494 0.4522 0.4746 -0.0696 -0.0569 0.0410 2119 HOH E O 9697 O O . HOH DA . ? 0.4702 0.5556 0.2331 0.0636 0.0081 0.0636 2120 HOH E O 9698 O O . HOH DA . ? 0.4235 0.6170 0.2321 -0.0139 -0.0757 0.0529 2121 HOH E O 9699 O O . HOH DA . ? 0.5366 0.4381 0.4169 0.1466 0.0096 -0.0082 2122 HOH E O 9700 O O . HOH DA . ? 0.4480 0.2239 0.6312 0.0676 0.1287 -0.0774 2123 HOH E O 9701 O O . HOH DA . ? 0.4515 0.3184 0.5965 0.0493 -0.2222 0.1142 2124 HOH E O 9702 O O . HOH DA . ? 0.2473 0.4476 0.3059 0.1573 0.0955 0.1330 2125 HOH E O 9703 O O . HOH DA . ? 0.5537 0.4512 0.5007 -0.0392 -0.0427 0.0120 2126 HOH E O 9704 O O . HOH DA . ? 0.4576 0.3761 0.5523 -0.0537 0.0775 -0.0083 2127 HOH E O 9705 O O . HOH DA . ? 0.4941 0.3536 0.3236 0.0135 -0.0403 -0.0773 2128 HOH E O 9706 O O . HOH DA . ? 0.5152 0.4497 0.4024 -0.1127 0.0666 0.0679 2129 HOH E O 9707 O O . HOH DA . ? 0.1599 0.2522 0.3078 -0.0842 0.0357 -0.0029 2130 HOH E O 9708 O O . HOH DA . ? 0.2749 0.3022 0.2909 -0.1673 -0.0193 0.0073 2131 HOH E O 9709 O O . HOH DA . ? 0.5831 0.5647 0.6288 -0.0087 0.0194 0.0397 2132 HOH E O 9710 O O . HOH DA . ? 0.2110 0.0935 0.1247 -0.0078 0.0075 0.0179 2133 HOH E O 9711 O O . HOH DA . ? 0.3059 0.2442 0.3170 -0.0533 0.1283 -0.0886 2134 HOH E O 9712 O O . HOH DA . ? 0.2504 0.1662 0.2372 -0.0401 -0.0149 0.1082 2135 HOH E O 9713 O O . HOH DA . ? 0.6006 0.3782 0.3729 -0.0012 0.0063 -0.0410 2136 HOH E O 9714 O O . HOH DA . ? 0.1681 0.1806 0.0694 -0.0077 0.0117 0.0326 2137 HOH E O 9715 O O . HOH DA . ? 0.3082 0.3676 0.3051 0.1277 -0.0595 0.0578 2138 HOH E O 9716 O O . HOH DA . ? 0.2831 0.2301 0.1489 -0.0412 -0.0793 0.0739 2139 HOH E O 9717 O O . HOH DA . ? 0.4224 0.4111 0.4106 -0.0490 0.0781 -0.0273 2140 HOH E O 9718 O O . HOH DA . ? 0.3637 0.4020 0.3040 -0.1163 0.1608 -0.0868 2141 HOH E O 9719 O O . HOH DA . ? 0.2295 0.7493 0.2303 0.1224 0.0240 0.0534 2142 HOH E O 9720 O O . HOH DA . ? 0.6872 0.8136 0.3638 -0.1260 0.0654 -0.2534 2143 HOH E O 9721 O O . HOH DA . ? 0.2173 0.2839 0.2769 0.0544 -0.0670 -0.0255 2144 HOH E O 9722 O O . HOH DA . ? 0.4431 0.4902 0.4574 0.0297 -0.0771 0.1139 2145 HOH E O 9723 O O . HOH DA . ? 0.1642 0.3362 0.1897 0.0022 -0.0427 0.0088 2146 HOH E O 9724 O O . HOH DA . ? 0.2932 0.5316 0.1864 0.1181 -0.0708 -0.0242 2147 HOH E O 9725 O O . HOH DA . ? 0.2782 0.3483 0.4205 0.1370 -0.0890 -0.0116 2148 HOH E O 9726 O O . HOH DA . ? 0.2650 0.2746 0.4546 -0.1108 0.0383 0.0153 2149 HOH E O 9727 O O . HOH DA . ? 0.2099 0.1992 0.1990 0.0405 0.0418 0.0357 2150 HOH E O 9728 O O . HOH DA . ? 0.3317 0.3184 0.3112 -0.0848 -0.1179 -0.0300 2151 HOH E O 9729 O O . HOH DA . ? 0.1162 0.3791 0.0988 0.0391 0.0015 0.0158 2152 HOH E O 9730 O O . HOH DA . ? 0.2785 0.3182 0.2866 -0.0642 0.0712 0.0980 2153 HOH E O 9731 O O . HOH DA . ? 0.1178 0.1086 0.0427 -0.0090 0.0237 0.0125 2154 HOH E O 9732 O O . HOH DA . ? 0.1173 0.0971 0.1034 -0.0115 0.0285 0.0287 2155 HOH E O 9733 O O . HOH DA . ? 0.1717 0.2140 0.2598 -0.0685 -0.0240 -0.0157 2156 HOH E O 9734 O O . HOH DA . ? 0.3836 0.4291 0.2873 0.1308 -0.0019 -0.1490 2157 HOH E O 9735 O O . HOH DA . ? 0.1729 0.5435 0.4161 0.0472 0.0825 0.0510 2158 HOH E O 9736 O O . HOH DA . ? 0.5773 0.4360 0.2906 0.1484 -0.1941 -0.0837 2159 HOH E O 9737 O O . HOH DA . ? 0.1941 0.1378 0.0553 -0.0301 0.0006 0.0127 2160 HOH E O 9738 O O . HOH DA . ? 0.5498 0.1524 0.3039 0.0462 0.0428 -0.0242 2161 HOH E O 9739 O O . HOH DA . ? 0.3447 0.2334 0.1244 0.0440 0.0609 -0.0217 2162 HOH E O 9740 O O . HOH DA . ? 0.1484 0.1854 0.0688 0.0168 -0.0177 -0.0054 2163 HOH E O 9741 O O . HOH DA . ? 0.3764 0.4973 0.3026 -0.0175 0.0579 0.0988 2164 HOH E O 9742 O O . HOH DA . ? 0.3770 0.3874 0.2879 0.0393 -0.0530 0.0677 2165 HOH E O 9743 O O . HOH DA . ? 0.4199 0.4105 0.2849 -0.0571 0.0276 -0.1207 2166 HOH E O 9744 O O . HOH DA . ? 0.1283 0.1676 0.1468 -0.0289 0.0228 0.0078 2167 HOH E O 9745 O O . HOH DA . ? 0.6165 0.2357 0.1952 -0.0097 0.1159 0.0112 2168 HOH E O 9746 O O . HOH DA . ? 0.1990 0.2271 0.2697 -0.0978 0.0823 -0.0871 2169 HOH E O 9747 O O . HOH DA . ? 0.4203 0.4328 0.2684 -0.0981 -0.0563 0.1727 2170 HOH E O 9748 O O . HOH DA . ? 0.2397 0.4401 0.4804 -0.0181 0.1087 -0.1226 2171 HOH E O 9749 O O . HOH DA . ? 0.5099 0.4742 0.1977 0.0187 -0.0026 0.0395 2172 HOH E O 9750 O O . HOH DA . ? 0.7882 0.2883 0.2422 -0.1539 0.0141 0.0313 2173 HOH E O 9751 O O . HOH DA . ? 0.3618 0.4901 0.2055 -0.0413 0.0459 -0.1431 2174 HOH E O 9752 O O . HOH DA . ? 0.2121 0.3049 0.2821 0.1418 0.0351 -0.0044 2175 HOH E O 9753 O O . HOH DA . ? 0.2192 0.4057 0.3762 -0.1437 -0.0173 -0.0781 2176 HOH E O 9754 O O . HOH DA . ? 0.4463 0.5008 0.4369 0.0878 -0.0722 -0.0393 2177 HOH E O 9755 O O . HOH DA . ? 0.6113 0.6046 0.6174 0.0050 0.0582 0.0272 2178 HOH E O 9756 O O . HOH DA . ? 0.3260 0.5146 0.3455 -0.0251 -0.1432 -0.0148 2179 HOH E O 9757 O O . HOH DA . ? 0.3588 0.5596 0.2880 0.1712 0.0862 0.1892 2180 HOH E O 9758 O O . HOH DA . ? 0.3360 0.4627 0.3637 -0.0064 0.0924 0.0028 2181 HOH E O 9759 O O . HOH DA . ? 0.1153 0.0710 0.0684 -0.0124 0.0415 -0.0227 2182 HOH E O 9760 O O . HOH DA . ? 0.1266 0.0748 0.1223 -0.0060 0.0173 -0.0337 2183 HOH E O 9761 O O . HOH DA . ? 0.4390 0.2616 0.6135 -0.0571 0.0181 -0.1830 2184 HOH E O 9762 O O . HOH DA . ? 0.1837 0.1206 0.1848 -0.0051 0.0833 0.0153 2185 HOH E O 9763 O O . HOH DA . ? 0.2682 0.1751 0.4269 -0.0369 0.0060 -0.1006 2186 HOH E O 9764 O O . HOH DA . ? 0.4212 0.5017 0.3860 -0.0212 -0.0146 -0.1269 2187 HOH E O 9765 O O . HOH DA . ? 0.1869 0.3086 0.3520 -0.0998 -0.0695 -0.0580 2188 HOH E O 9766 O O . HOH DA . ? 0.5255 0.5188 0.4455 -0.0011 -0.0277 -0.0900 2189 HOH E O 9767 O O . HOH DA . ? 0.2091 0.2860 0.1436 -0.0642 0.0127 -0.0966 2190 HOH E O 9768 O O . HOH DA . ? 0.4796 0.4233 0.2280 0.0112 -0.0163 -0.1661 2191 HOH E O 9769 O O . HOH DA . ? 0.4415 0.3828 0.4498 0.0171 -0.0198 0.0782 2192 HOH E O 9770 O O . HOH DA . ? 0.4696 0.3815 0.3650 -0.0278 -0.0942 -0.1994 2193 HOH E O 9771 O O . HOH DA . ? 0.3817 0.3336 0.4624 -0.1391 -0.0340 -0.0297 2194 HOH E O 9772 O O . HOH DA . ? 0.5280 0.4954 0.4308 -0.0887 0.0965 0.1196 2195 HOH E O 9773 O O . HOH DA . ? 0.3469 0.1097 0.2761 0.0014 0.0732 -0.0384 2196 HOH E O 9774 O O . HOH DA . ? 0.1731 0.1037 0.2429 -0.0225 0.0188 -0.0719 2197 HOH E O 9775 O O . HOH DA . ? 0.3125 0.2360 0.3544 -0.0300 -0.0220 -0.0484 2198 HOH E O 9776 O O . HOH DA . ? 0.3156 0.2046 0.0880 0.0266 0.0336 -0.0012 2199 HOH E O 9777 O O . HOH DA . ? 0.3031 0.3436 0.4150 0.0219 0.0509 -0.0215 2200 HOH E O 9778 O O . HOH DA . ? 0.3377 0.1487 0.2069 -0.0144 0.0411 0.0251 2201 HOH E O 9779 O O . HOH DA . ? 0.2647 0.1953 0.1774 0.0169 -0.0285 0.0252 2202 HOH E O 9780 O O . HOH DA . ? 0.3876 0.2586 0.4133 0.0365 0.1242 -0.0303 2203 HOH E O 9781 O O . HOH DA . ? 0.3566 0.3268 0.1889 0.1887 0.0685 0.0311 2204 HOH E O 9782 O O . HOH DA . ? 0.6359 0.3069 0.5010 0.1969 -0.0517 0.0858 2205 HOH E O 9783 O O . HOH DA . ? 0.4098 0.4059 0.3964 -0.0091 -0.0190 0.0072 2206 HOH E O 9784 O O . HOH DA . ? 0.3302 0.2698 0.2663 -0.0146 0.1371 -0.0909 2207 HOH E O 9785 O O . HOH DA . ? 0.4331 0.4805 0.2829 -0.1745 -0.1212 0.0685 2208 HOH E O 9786 O O . HOH DA . ? 0.2880 0.2024 0.3028 -0.1201 -0.0200 -0.0096 2209 HOH E O 9787 O O . HOH DA . ? 0.2213 0.1582 0.5144 0.0352 0.0218 0.0486 2210 HOH E O 9788 O O . HOH DA . ? 0.1598 0.1152 0.1131 -0.0366 0.0356 0.0241 2211 HOH E O 9789 O O . HOH DA . ? 0.3426 0.2758 0.5492 0.1527 -0.0208 -0.0532 2212 HOH E O 9790 O O . HOH DA . ? 0.2779 0.2767 0.4485 0.0001 0.0943 0.1746 2213 HOH E O 9791 O O . HOH DA . ? 0.3290 0.5876 0.4596 0.0210 -0.1405 0.0468 2214 HOH E O 9792 O O . HOH DA . ? 0.5491 0.5410 0.5121 -0.0533 -0.1449 0.1168 2215 HOH E O 9793 O O . HOH DA . ? 0.3309 0.3033 0.2280 -0.0717 0.0815 0.1096 2216 HOH E O 9794 O O . HOH DA . ? 0.2784 0.4735 0.2296 0.0641 0.0272 0.1433 2217 HOH E O 9795 O O . HOH DA . ? 0.1806 0.1878 0.0984 0.0105 0.0499 0.0521 2218 HOH E O 9796 O O . HOH DA . ? 0.2739 0.2782 0.3382 0.1186 0.0820 -0.0840 2219 HOH E O 9797 O O . HOH DA . ? 0.2518 0.3462 0.4220 0.0295 -0.0027 -0.1240 2220 HOH E O 9798 O O . HOH DA . ? 0.4688 0.3391 0.2919 0.0927 -0.0012 0.1463 2221 HOH E O 9799 O O . HOH DA . ? 0.2693 0.5523 0.3729 -0.0897 0.1488 0.0121 2222 HOH E O 9800 O O . HOH DA . ? 0.4307 0.3693 0.4045 0.1720 -0.1261 0.0736 2223 HOH E O 9801 O O . HOH DA . ? 0.1678 0.1611 0.0558 0.0157 -0.0090 0.0293 2224 HOH E O 9802 O O . HOH DA . ? 0.1510 0.1272 0.1320 0.0026 0.0313 0.0077 2225 HOH E O 9803 O O . HOH DA . ? 0.5945 0.2946 0.6430 0.1173 -0.1394 0.1256 2226 HOH E O 9804 O O . HOH DA . ? 0.4862 0.2304 0.2993 -0.0048 0.0114 0.0973 2227 HOH E O 9805 O O . HOH DA . ? 0.3697 0.5698 0.2655 0.0275 -0.0072 0.1582 2228 HOH E O 9806 O O . HOH DA . ? 0.3925 0.4882 0.2987 0.0325 0.0749 0.0913 2229 HOH E O 9807 O O . HOH DA . ? 0.3161 0.2635 0.1507 0.0325 0.0553 0.0580 2230 HOH E O 9808 O O . HOH DA . ? 0.5048 0.6063 0.3725 0.0929 -0.0041 0.0491 2231 HOH E O 9809 O O . HOH DA . ? 0.3722 0.4436 0.1721 0.1194 -0.0168 0.0590 2232 HOH E O 9810 O O . HOH DA . ? 0.4042 0.5589 0.2370 0.0409 -0.1294 -0.0961 2233 HOH E O 9811 O O . HOH DA . ? 0.4879 0.3812 0.4627 -0.0585 -0.0218 0.0061 2234 HOH E O 9812 O O . HOH DA . ? 0.2457 0.3406 0.1323 0.0211 -0.0038 0.0501 2235 HOH E O 9813 O O . HOH DA . ? 0.2810 0.2071 0.0751 -0.0113 -0.0188 -0.0103 2236 HOH E O 9814 O O . HOH DA . ? 0.4282 0.4367 0.2250 0.1123 0.0421 0.0694 2237 HOH E O 9815 O O . HOH DA . ? 0.4695 0.4288 0.4026 -0.0861 0.0812 0.0458 2238 HOH E O 9816 O O . HOH DA . ? 0.5537 0.3034 0.4728 -0.2008 0.0181 0.0861 2239 HOH E O 9817 O O . HOH DA . ? 0.3306 0.3806 0.3097 0.0078 -0.1286 -0.0918 2240 HOH E O 9818 O O . HOH DA . ? 0.2856 0.2413 0.2963 -0.1427 0.0519 0.0241 2241 HOH E O 9819 O O . HOH DA . ? 0.3192 0.3918 0.2227 0.1295 -0.0345 -0.0649 2242 HOH E O 9820 O O . HOH DA . ? 0.5991 0.3077 0.2899 -0.1120 0.1618 -0.1095 2243 HOH E O 9821 O O . HOH DA . ? 0.3026 0.3451 0.3425 0.0599 0.0637 0.0486 2244 HOH E O 9822 O O . HOH DA . ? 0.2831 0.1353 0.2485 0.0599 0.0409 0.0145 2245 HOH E O 9823 O O . HOH DA . ? 0.5638 0.3972 0.4468 -0.0448 -0.0415 0.0199 2246 HOH E 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 HIS 1 1 1 HIS HIS A . n A 1 2 THR 2 2 2 THR THR A . n A 1 3 ASP 3 3 3 ASP ASP A . n A 1 4 LEU 4 4 4 LEU LEU A . n A 1 5 SER 5 5 5 SER SER A . n A 1 6 GLY 6 6 6 GLY GLY A . n A 1 7 LYS 7 7 7 LYS LYS A . n A 1 8 VAL 8 8 8 VAL VAL A . n A 1 9 PHE 9 9 9 PHE PHE A . n A 1 10 VAL 10 10 10 VAL VAL A . n A 1 11 PHE 11 11 11 PHE PHE A . n A 1 12 PRO 12 12 12 PRO PRO A . n A 1 13 ARG 13 13 13 ARG ARG A . n A 1 14 GLU 14 14 14 GLU GLU A . n A 1 15 SER 15 15 15 SER SER A . n A 1 16 VAL 16 16 16 VAL VAL A . n A 1 17 THR 17 17 17 THR THR A . n A 1 18 ASP 18 18 18 ASP ASP A . n A 1 19 HIS 19 19 19 HIS HIS A . n A 1 20 VAL 20 20 20 VAL VAL A . n A 1 21 ASN 21 21 21 ASN ASN A . n A 1 22 LEU 22 22 22 LEU LEU A . n A 1 23 ILE 23 23 23 ILE ILE A . n A 1 24 THR 24 24 24 THR THR A . n A 1 25 PRO 25 25 25 PRO PRO A . n A 1 26 LEU 26 26 26 LEU LEU A . n A 1 27 GLU 27 27 27 GLU GLU A . n A 1 28 LYS 28 28 28 LYS LYS A . n A 1 29 PRO 29 29 29 PRO PRO A . n A 1 30 LEU 30 30 30 LEU LEU A . n A 1 31 GLN 31 31 31 GLN GLN A . n A 1 32 ASN 32 32 32 ASN ASN A . n A 1 33 PHE 33 33 33 PHE PHE A . n A 1 34 THR 34 34 34 THR THR A . n A 1 35 LEU 35 35 35 LEU LEU A . n A 1 36 CYS 36 36 36 CYS CYS A . n A 1 37 PHE 37 37 37 PHE PHE A . n A 1 38 ARG 38 38 38 ARG ARG A . n A 1 39 ALA 39 39 39 ALA ALA A . n A 1 40 TYR 40 40 40 TYR TYR A . n A 1 41 SER 41 41 41 SER SER A . n A 1 42 ASP 42 42 42 ASP ASP A . n A 1 43 LEU 43 43 43 LEU LEU A . n A 1 44 SER 44 44 44 SER SER A . n A 1 45 ARG 45 45 45 ARG ARG A . n A 1 46 ALA 46 46 46 ALA ALA A . n A 1 47 TYR 47 47 47 TYR TYR A . n A 1 48 SER 48 48 48 SER SER A . n A 1 49 LEU 49 49 49 LEU LEU A . n A 1 50 PHE 50 50 50 PHE PHE A . n A 1 51 SER 51 51 51 SER SER A . n A 1 52 TYR 52 52 52 TYR TYR A . n A 1 53 ASN 53 53 53 ASN ASN A . n A 1 54 THR 54 54 54 THR THR A . n A 1 55 GLN 55 55 55 GLN GLN A . n A 1 56 GLY 56 56 56 GLY GLY A . n A 1 57 ARG 57 57 57 ARG ARG A . n A 1 58 ASP 58 58 58 ASP ASP A . n A 1 59 ASN 59 59 59 ASN ASN A . n A 1 60 GLU 60 60 60 GLU GLU A . n A 1 61 LEU 61 61 61 LEU LEU A . n A 1 62 LEU 62 62 62 LEU LEU A . n A 1 63 VAL 63 63 63 VAL VAL A . n A 1 64 TYR 64 64 64 TYR TYR A . n A 1 65 LYS 65 65 65 LYS LYS A . n A 1 66 GLU 66 66 66 GLU GLU A . n A 1 67 ARG 67 67 67 ARG ARG A . n A 1 68 VAL 68 68 68 VAL VAL A . n A 1 69 GLY 69 69 69 GLY GLY A . n A 1 70 GLU 70 70 70 GLU GLU A . n A 1 71 TYR 71 71 71 TYR TYR A . n A 1 72 SER 72 72 72 SER SER A . n A 1 73 LEU 73 73 73 LEU LEU A . n A 1 74 TYR 74 74 74 TYR TYR A . n A 1 75 ILE 75 75 75 ILE ILE A . n A 1 76 GLY 76 76 76 GLY GLY A . n A 1 77 ARG 77 77 77 ARG ARG A . n A 1 78 HIS 78 78 78 HIS HIS A . n A 1 79 LYS 79 79 79 LYS LYS A . n A 1 80 VAL 80 80 80 VAL VAL A . n A 1 81 THR 81 81 81 THR THR A . n A 1 82 SER 82 82 82 SER SER A . n A 1 83 LYS 83 83 83 LYS LYS A . n A 1 84 VAL 84 84 84 VAL VAL A . n A 1 85 ILE 85 85 85 ILE ILE A . n A 1 86 GLU 86 86 86 GLU GLU A . n A 1 87 LYS 87 87 87 LYS LYS A . n A 1 88 PHE 88 88 88 PHE PHE A . n A 1 89 PRO 89 89 89 PRO PRO A . n A 1 90 ALA 90 90 90 ALA ALA A . n A 1 91 PRO 91 91 91 PRO PRO A . n A 1 92 VAL 92 92 92 VAL VAL A . n A 1 93 HIS 93 93 93 HIS HIS A . n A 1 94 ILE 94 94 94 ILE ILE A . n A 1 95 CYS 95 95 95 CYS CYS A . n A 1 96 VAL 96 96 96 VAL VAL A . n A 1 97 SER 97 97 97 SER SER A . n A 1 98 TRP 98 98 98 TRP TRP A . n A 1 99 GLU 99 99 99 GLU GLU A . n A 1 100 SER 100 100 100 SER SER A . n A 1 101 SER 101 101 101 SER SER A . n A 1 102 SER 102 102 102 SER SER A . n A 1 103 GLY 103 103 103 GLY GLY A . n A 1 104 ILE 104 104 104 ILE ILE A . n A 1 105 ALA 105 105 105 ALA ALA A . n A 1 106 GLU 106 106 106 GLU GLU A . n A 1 107 PHE 107 107 107 PHE PHE A . n A 1 108 TRP 108 108 108 TRP TRP A . n A 1 109 ILE 109 109 109 ILE ILE A . n A 1 110 ASN 110 110 110 ASN ASN A . n A 1 111 GLY 111 111 111 GLY GLY A . n A 1 112 THR 112 112 112 THR THR A . n A 1 113 PRO 113 113 113 PRO PRO A . n A 1 114 LEU 114 114 114 LEU LEU A . n A 1 115 VAL 115 115 115 VAL VAL A . n A 1 116 LYS 116 116 116 LYS LYS A . n A 1 117 LYS 117 117 117 LYS LYS A . n A 1 118 GLY 118 118 118 GLY GLY A . n A 1 119 LEU 119 119 119 LEU LEU A . n A 1 120 ARG 120 120 120 ARG ARG A . n A 1 121 GLN 121 121 121 GLN GLN A . n A 1 122 GLY 122 122 122 GLY GLY A . n A 1 123 TYR 123 123 123 TYR TYR A . n A 1 124 PHE 124 124 124 PHE PHE A . n A 1 125 VAL 125 125 125 VAL VAL A . n A 1 126 GLU 126 126 126 GLU GLU A . n A 1 127 ALA 127 127 127 ALA ALA A . n A 1 128 GLN 128 128 128 GLN GLN A . n A 1 129 PRO 129 129 129 PRO PRO A . n A 1 130 LYS 130 130 130 LYS LYS A . n A 1 131 ILE 131 131 131 ILE ILE A . n A 1 132 VAL 132 132 132 VAL VAL A . n A 1 133 LEU 133 133 133 LEU LEU A . n A 1 134 GLY 134 134 134 GLY GLY A . n A 1 135 GLN 135 135 135 GLN GLN A . n A 1 136 GLU 136 136 136 GLU GLU A . n A 1 137 GLN 137 137 137 GLN GLN A . n A 1 138 ASP 138 138 138 ASP ASP A . n A 1 139 SER 139 139 139 SER SER A . n A 1 140 TYR 140 140 140 TYR TYR A . n A 1 141 GLY 141 141 141 GLY GLY A . n A 1 142 GLY 142 142 142 GLY GLY A . n A 1 143 LYS 143 143 143 LYS LYS A . n A 1 144 PHE 144 144 144 PHE PHE A . n A 1 145 ASP 145 145 145 ASP ASP A . n A 1 146 ARG 146 146 146 ARG ARG A . n A 1 147 SER 147 147 147 SER SER A . n A 1 148 GLN 148 148 148 GLN GLN A . n A 1 149 SER 149 149 149 SER SER A . n A 1 150 PHE 150 150 150 PHE PHE A . n A 1 151 VAL 151 151 151 VAL VAL A . n A 1 152 GLY 152 152 152 GLY GLY A . n A 1 153 GLU 153 153 153 GLU GLU A . n A 1 154 ILE 154 154 154 ILE ILE A . n A 1 155 GLY 155 155 155 GLY GLY A . n A 1 156 ASP 156 156 156 ASP ASP A . n A 1 157 LEU 157 157 157 LEU LEU A . n A 1 158 TYR 158 158 158 TYR TYR A . n A 1 159 MET 159 159 159 MET MET A . n A 1 160 TRP 160 160 160 TRP TRP A . n A 1 161 ASP 161 161 161 ASP ASP A . n A 1 162 SER 162 162 162 SER SER A . n A 1 163 VAL 163 163 163 VAL VAL A . n A 1 164 LEU 164 164 164 LEU LEU A . n A 1 165 PRO 165 165 165 PRO PRO A . n A 1 166 PRO 166 166 166 PRO PRO A . n A 1 167 GLU 167 167 167 GLU GLU A . n A 1 168 ASN 168 168 168 ASN ASN A . n A 1 169 ILE 169 169 169 ILE ILE A . n A 1 170 LEU 170 170 170 LEU LEU A . n A 1 171 SER 171 171 171 SER SER A . n A 1 172 ALA 172 172 172 ALA ALA A . n A 1 173 TYR 173 173 173 TYR TYR A . n A 1 174 GLN 174 174 174 GLN GLN A . n A 1 175 GLY 175 175 175 GLY GLY A . n A 1 176 THR 176 176 176 THR THR A . n A 1 177 PRO 177 177 177 PRO PRO A . n A 1 178 LEU 178 178 178 LEU LEU A . n A 1 179 PRO 179 179 179 PRO PRO A . n A 1 180 ALA 180 180 180 ALA ALA A . n A 1 181 ASN 181 181 181 ASN ASN A . n A 1 182 ILE 182 182 182 ILE ILE A . n A 1 183 LEU 183 183 183 LEU LEU A . n A 1 184 ASP 184 184 184 ASP ASP A . n A 1 185 TRP 185 185 185 TRP TRP A . n A 1 186 GLN 186 186 186 GLN GLN A . n A 1 187 ALA 187 187 187 ALA ALA A . n A 1 188 LEU 188 188 188 LEU LEU A . n A 1 189 ASN 189 189 189 ASN ASN A . n A 1 190 TYR 190 190 190 TYR TYR A . n A 1 191 GLU 191 191 191 GLU GLU A . n A 1 192 ILE 192 192 192 ILE ILE A . n A 1 193 ARG 193 193 193 ARG ARG A . n A 1 194 GLY 194 194 194 GLY GLY A . n A 1 195 TYR 195 195 195 TYR TYR A . n A 1 196 VAL 196 196 196 VAL VAL A . n A 1 197 ILE 197 197 197 ILE ILE A . n A 1 198 ILE 198 198 198 ILE ILE A . n A 1 199 LYS 199 199 199 LYS LYS A . n A 1 200 PRO 200 200 200 PRO PRO A . n A 1 201 LEU 201 201 201 LEU LEU A . n A 1 202 VAL 202 202 202 VAL VAL A . n A 1 203 TRP 203 203 203 TRP TRP A . n A 1 204 VAL 204 204 204 VAL VAL A . n B 1 1 HIS 1 1 1 HIS HIS B . n B 1 2 THR 2 2 2 THR THR B . n B 1 3 ASP 3 3 3 ASP ASP B . n B 1 4 LEU 4 4 4 LEU LEU B . n B 1 5 SER 5 5 5 SER SER B . n B 1 6 GLY 6 6 6 GLY GLY B . n B 1 7 LYS 7 7 7 LYS LYS B . n B 1 8 VAL 8 8 8 VAL VAL B . n B 1 9 PHE 9 9 9 PHE PHE B . n B 1 10 VAL 10 10 10 VAL VAL B . n B 1 11 PHE 11 11 11 PHE PHE B . n B 1 12 PRO 12 12 12 PRO PRO B . n B 1 13 ARG 13 13 13 ARG ARG B . n B 1 14 GLU 14 14 14 GLU GLU B . n B 1 15 SER 15 15 15 SER SER B . n B 1 16 VAL 16 16 16 VAL VAL B . n B 1 17 THR 17 17 17 THR THR B . n B 1 18 ASP 18 18 18 ASP ASP B . n B 1 19 HIS 19 19 19 HIS HIS B . n B 1 20 VAL 20 20 20 VAL VAL B . n B 1 21 ASN 21 21 21 ASN ASN B . n B 1 22 LEU 22 22 22 LEU LEU B . n B 1 23 ILE 23 23 23 ILE ILE B . n B 1 24 THR 24 24 24 THR THR B . n B 1 25 PRO 25 25 25 PRO PRO B . n B 1 26 LEU 26 26 26 LEU LEU B . n B 1 27 GLU 27 27 27 GLU GLU B . n B 1 28 LYS 28 28 28 LYS LYS B . n B 1 29 PRO 29 29 29 PRO PRO B . n B 1 30 LEU 30 30 30 LEU LEU B . n B 1 31 GLN 31 31 31 GLN GLN B . n B 1 32 ASN 32 32 32 ASN ASN B . n B 1 33 PHE 33 33 33 PHE PHE B . n B 1 34 THR 34 34 34 THR THR B . n B 1 35 LEU 35 35 35 LEU LEU B . n B 1 36 CYS 36 36 36 CYS CYS B . n B 1 37 PHE 37 37 37 PHE PHE B . n B 1 38 ARG 38 38 38 ARG ARG B . n B 1 39 ALA 39 39 39 ALA ALA B . n B 1 40 TYR 40 40 40 TYR TYR B . n B 1 41 SER 41 41 41 SER SER B . n B 1 42 ASP 42 42 42 ASP ASP B . n B 1 43 LEU 43 43 43 LEU LEU B . n B 1 44 SER 44 44 44 SER SER B . n B 1 45 ARG 45 45 45 ARG ARG B . n B 1 46 ALA 46 46 46 ALA ALA B . n B 1 47 TYR 47 47 47 TYR TYR B . n B 1 48 SER 48 48 48 SER SER B . n B 1 49 LEU 49 49 49 LEU LEU B . n B 1 50 PHE 50 50 50 PHE PHE B . n B 1 51 SER 51 51 51 SER SER B . n B 1 52 TYR 52 52 52 TYR TYR B . n B 1 53 ASN 53 53 53 ASN ASN B . n B 1 54 THR 54 54 54 THR THR B . n B 1 55 GLN 55 55 55 GLN GLN B . n B 1 56 GLY 56 56 56 GLY GLY B . n B 1 57 ARG 57 57 57 ARG ARG B . n B 1 58 ASP 58 58 58 ASP ASP B . n B 1 59 ASN 59 59 59 ASN ASN B . n B 1 60 GLU 60 60 60 GLU GLU B . n B 1 61 LEU 61 61 61 LEU LEU B . n B 1 62 LEU 62 62 62 LEU LEU B . n B 1 63 VAL 63 63 63 VAL VAL B . n B 1 64 TYR 64 64 64 TYR TYR B . n B 1 65 LYS 65 65 65 LYS LYS B . n B 1 66 GLU 66 66 66 GLU GLU B . n B 1 67 ARG 67 67 67 ARG ARG B . n B 1 68 VAL 68 68 68 VAL VAL B . n B 1 69 GLY 69 69 69 GLY GLY B . n B 1 70 GLU 70 70 70 GLU GLU B . n B 1 71 TYR 71 71 71 TYR TYR B . n B 1 72 SER 72 72 72 SER SER B . n B 1 73 LEU 73 73 73 LEU LEU B . n B 1 74 TYR 74 74 74 TYR TYR B . n B 1 75 ILE 75 75 75 ILE ILE B . n B 1 76 GLY 76 76 76 GLY GLY B . n B 1 77 ARG 77 77 77 ARG ARG B . n B 1 78 HIS 78 78 78 HIS HIS B . n B 1 79 LYS 79 79 79 LYS LYS B . n B 1 80 VAL 80 80 80 VAL VAL B . n B 1 81 THR 81 81 81 THR THR B . n B 1 82 SER 82 82 82 SER SER B . n B 1 83 LYS 83 83 83 LYS LYS B . n B 1 84 VAL 84 84 84 VAL VAL B . n B 1 85 ILE 85 85 85 ILE ILE B . n B 1 86 GLU 86 86 86 GLU GLU B . n B 1 87 LYS 87 87 87 LYS LYS B . n B 1 88 PHE 88 88 88 PHE PHE B . n B 1 89 PRO 89 89 89 PRO PRO B . n B 1 90 ALA 90 90 90 ALA ALA B . n B 1 91 PRO 91 91 91 PRO PRO B . n B 1 92 VAL 92 92 92 VAL VAL B . n B 1 93 HIS 93 93 93 HIS HIS B . n B 1 94 ILE 94 94 94 ILE ILE B . n B 1 95 CYS 95 95 95 CYS CYS B . n B 1 96 VAL 96 96 96 VAL VAL B . n B 1 97 SER 97 97 97 SER SER B . n B 1 98 TRP 98 98 98 TRP TRP B . n B 1 99 GLU 99 99 99 GLU GLU B . n B 1 100 SER 100 100 100 SER SER B . n B 1 101 SER 101 101 101 SER SER B . n B 1 102 SER 102 102 102 SER SER B . n B 1 103 GLY 103 103 103 GLY GLY B . n B 1 104 ILE 104 104 104 ILE ILE B . n B 1 105 ALA 105 105 105 ALA ALA B . n B 1 106 GLU 106 106 106 GLU GLU B . n B 1 107 PHE 107 107 107 PHE PHE B . n B 1 108 TRP 108 108 108 TRP TRP B . n B 1 109 ILE 109 109 109 ILE ILE B . n B 1 110 ASN 110 110 110 ASN ASN B . n B 1 111 GLY 111 111 111 GLY GLY B . n B 1 112 THR 112 112 112 THR THR B . n B 1 113 PRO 113 113 113 PRO PRO B . n B 1 114 LEU 114 114 114 LEU LEU B . n B 1 115 VAL 115 115 115 VAL VAL B . n B 1 116 LYS 116 116 116 LYS LYS B . n B 1 117 LYS 117 117 117 LYS LYS B . n B 1 118 GLY 118 118 118 GLY GLY B . n B 1 119 LEU 119 119 119 LEU LEU B . n B 1 120 ARG 120 120 120 ARG ARG B . n B 1 121 GLN 121 121 121 GLN GLN B . n B 1 122 GLY 122 122 122 GLY GLY B . n B 1 123 TYR 123 123 123 TYR TYR B . n B 1 124 PHE 124 124 124 PHE PHE B . n B 1 125 VAL 125 125 125 VAL VAL B . n B 1 126 GLU 126 126 126 GLU GLU B . n B 1 127 ALA 127 127 127 ALA ALA B . n B 1 128 GLN 128 128 128 GLN GLN B . n B 1 129 PRO 129 129 129 PRO PRO B . n B 1 130 LYS 130 130 130 LYS LYS B . n B 1 131 ILE 131 131 131 ILE ILE B . n B 1 132 VAL 132 132 132 VAL VAL B . n B 1 133 LEU 133 133 133 LEU LEU B . n B 1 134 GLY 134 134 134 GLY GLY B . n B 1 135 GLN 135 135 135 GLN GLN B . n B 1 136 GLU 136 136 136 GLU GLU B . n B 1 137 GLN 137 137 137 GLN GLN B . n B 1 138 ASP 138 138 138 ASP ASP B . n B 1 139 SER 139 139 139 SER SER B . n B 1 140 TYR 140 140 140 TYR TYR B . n B 1 141 GLY 141 141 141 GLY GLY B . n B 1 142 GLY 142 142 142 GLY GLY B . n B 1 143 LYS 143 143 143 LYS LYS B . n B 1 144 PHE 144 144 144 PHE PHE B . n B 1 145 ASP 145 145 145 ASP ASP B . n B 1 146 ARG 146 146 146 ARG ARG B . n B 1 147 SER 147 147 147 SER SER B . n B 1 148 GLN 148 148 148 GLN GLN B . n B 1 149 SER 149 149 149 SER SER B . n B 1 150 PHE 150 150 150 PHE PHE B . n B 1 151 VAL 151 151 151 VAL VAL B . n B 1 152 GLY 152 152 152 GLY GLY B . n B 1 153 GLU 153 153 153 GLU GLU B . n B 1 154 ILE 154 154 154 ILE ILE B . n B 1 155 GLY 155 155 155 GLY GLY B . n B 1 156 ASP 156 156 156 ASP ASP B . n B 1 157 LEU 157 157 157 LEU LEU B . n B 1 158 TYR 158 158 158 TYR TYR B . n B 1 159 MET 159 159 159 MET MET B . n B 1 160 TRP 160 160 160 TRP TRP B . n B 1 161 ASP 161 161 161 ASP ASP B . n B 1 162 SER 162 162 162 SER SER B . n B 1 163 VAL 163 163 163 VAL VAL B . n B 1 164 LEU 164 164 164 LEU LEU B . n B 1 165 PRO 165 165 165 PRO PRO B . n B 1 166 PRO 166 166 166 PRO PRO B . n B 1 167 GLU 167 167 167 GLU GLU B . n B 1 168 ASN 168 168 168 ASN ASN B . n B 1 169 ILE 169 169 169 ILE ILE B . n B 1 170 LEU 170 170 170 LEU LEU B . n B 1 171 SER 171 171 171 SER SER B . n B 1 172 ALA 172 172 172 ALA ALA B . n B 1 173 TYR 173 173 173 TYR TYR B . n B 1 174 GLN 174 174 174 GLN GLN B . n B 1 175 GLY 175 175 175 GLY GLY B . n B 1 176 THR 176 176 176 THR THR B . n B 1 177 PRO 177 177 177 PRO PRO B . n B 1 178 LEU 178 178 178 LEU LEU B . n B 1 179 PRO 179 179 179 PRO PRO B . n B 1 180 ALA 180 180 180 ALA ALA B . n B 1 181 ASN 181 181 181 ASN ASN B . n B 1 182 ILE 182 182 182 ILE ILE B . n B 1 183 LEU 183 183 183 LEU LEU B . n B 1 184 ASP 184 184 184 ASP ASP B . n B 1 185 TRP 185 185 185 TRP TRP B . n B 1 186 GLN 186 186 186 GLN GLN B . n B 1 187 ALA 187 187 187 ALA ALA B . n B 1 188 LEU 188 188 188 LEU LEU B . n B 1 189 ASN 189 189 189 ASN ASN B . n B 1 190 TYR 190 190 190 TYR TYR B . n B 1 191 GLU 191 191 191 GLU GLU B . n B 1 192 ILE 192 192 192 ILE ILE B . n B 1 193 ARG 193 193 193 ARG ARG B . n B 1 194 GLY 194 194 194 GLY GLY B . n B 1 195 TYR 195 195 195 TYR TYR B . n B 1 196 VAL 196 196 196 VAL VAL B . n B 1 197 ILE 197 197 197 ILE ILE B . n B 1 198 ILE 198 198 198 ILE ILE B . n B 1 199 LYS 199 199 199 LYS LYS B . n B 1 200 PRO 200 200 200 PRO PRO B . n B 1 201 LEU 201 201 201 LEU LEU B . n B 1 202 VAL 202 202 202 VAL VAL B . n B 1 203 TRP 203 203 203 TRP TRP B . n B 1 204 VAL 204 204 204 VAL VAL B . n C 1 1 HIS 1 1 1 HIS HIS C . n C 1 2 THR 2 2 2 THR THR C . n C 1 3 ASP 3 3 3 ASP ASP C . n C 1 4 LEU 4 4 4 LEU LEU C . n C 1 5 SER 5 5 5 SER SER C . n C 1 6 GLY 6 6 6 GLY GLY C . n C 1 7 LYS 7 7 7 LYS LYS C . n C 1 8 VAL 8 8 8 VAL VAL C . n C 1 9 PHE 9 9 9 PHE PHE C . n C 1 10 VAL 10 10 10 VAL VAL C . n C 1 11 PHE 11 11 11 PHE PHE C . n C 1 12 PRO 12 12 12 PRO PRO C . n C 1 13 ARG 13 13 13 ARG ARG C . n C 1 14 GLU 14 14 14 GLU GLU C . n C 1 15 SER 15 15 15 SER SER C . n C 1 16 VAL 16 16 16 VAL VAL C . n C 1 17 THR 17 17 17 THR THR C . n C 1 18 ASP 18 18 18 ASP ASP C . n C 1 19 HIS 19 19 19 HIS HIS C . n C 1 20 VAL 20 20 20 VAL VAL C . n C 1 21 ASN 21 21 21 ASN ASN C . n C 1 22 LEU 22 22 22 LEU LEU C . n C 1 23 ILE 23 23 23 ILE ILE C . n C 1 24 THR 24 24 24 THR THR C . n C 1 25 PRO 25 25 25 PRO PRO C . n C 1 26 LEU 26 26 26 LEU LEU C . n C 1 27 GLU 27 27 27 GLU GLU C . n C 1 28 LYS 28 28 28 LYS LYS C . n C 1 29 PRO 29 29 29 PRO PRO C . n C 1 30 LEU 30 30 30 LEU LEU C . n C 1 31 GLN 31 31 31 GLN GLN C . n C 1 32 ASN 32 32 32 ASN ASN C . n C 1 33 PHE 33 33 33 PHE PHE C . n C 1 34 THR 34 34 34 THR THR C . n C 1 35 LEU 35 35 35 LEU LEU C . n C 1 36 CYS 36 36 36 CYS CYS C . n C 1 37 PHE 37 37 37 PHE PHE C . n C 1 38 ARG 38 38 38 ARG ARG C . n C 1 39 ALA 39 39 39 ALA ALA C . n C 1 40 TYR 40 40 40 TYR TYR C . n C 1 41 SER 41 41 41 SER SER C . n C 1 42 ASP 42 42 42 ASP ASP C . n C 1 43 LEU 43 43 43 LEU LEU C . n C 1 44 SER 44 44 44 SER SER C . n C 1 45 ARG 45 45 45 ARG ARG C . n C 1 46 ALA 46 46 46 ALA ALA C . n C 1 47 TYR 47 47 47 TYR TYR C . n C 1 48 SER 48 48 48 SER SER C . n C 1 49 LEU 49 49 49 LEU LEU C . n C 1 50 PHE 50 50 50 PHE PHE C . n C 1 51 SER 51 51 51 SER SER C . n C 1 52 TYR 52 52 52 TYR TYR C . n C 1 53 ASN 53 53 53 ASN ASN C . n C 1 54 THR 54 54 54 THR THR C . n C 1 55 GLN 55 55 55 GLN GLN C . n C 1 56 GLY 56 56 56 GLY GLY C . n C 1 57 ARG 57 57 57 ARG ARG C . n C 1 58 ASP 58 58 58 ASP ASP C . n C 1 59 ASN 59 59 59 ASN ASN C . n C 1 60 GLU 60 60 60 GLU GLU C . n C 1 61 LEU 61 61 61 LEU LEU C . n C 1 62 LEU 62 62 62 LEU LEU C . n C 1 63 VAL 63 63 63 VAL VAL C . n C 1 64 TYR 64 64 64 TYR TYR C . n C 1 65 LYS 65 65 65 LYS LYS C . n C 1 66 GLU 66 66 66 GLU GLU C . n C 1 67 ARG 67 67 67 ARG ARG C . n C 1 68 VAL 68 68 68 VAL VAL C . n C 1 69 GLY 69 69 69 GLY GLY C . n C 1 70 GLU 70 70 70 GLU GLU C . n C 1 71 TYR 71 71 71 TYR TYR C . n C 1 72 SER 72 72 72 SER SER C . n C 1 73 LEU 73 73 73 LEU LEU C . n C 1 74 TYR 74 74 74 TYR TYR C . n C 1 75 ILE 75 75 75 ILE ILE C . n C 1 76 GLY 76 76 76 GLY GLY C . n C 1 77 ARG 77 77 77 ARG ARG C . n C 1 78 HIS 78 78 78 HIS HIS C . n C 1 79 LYS 79 79 79 LYS LYS C . n C 1 80 VAL 80 80 80 VAL VAL C . n C 1 81 THR 81 81 81 THR THR C . n C 1 82 SER 82 82 82 SER SER C . n C 1 83 LYS 83 83 83 LYS LYS C . n C 1 84 VAL 84 84 84 VAL VAL C . n C 1 85 ILE 85 85 85 ILE ILE C . n C 1 86 GLU 86 86 86 GLU GLU C . n C 1 87 LYS 87 87 87 LYS LYS C . n C 1 88 PHE 88 88 88 PHE PHE C . n C 1 89 PRO 89 89 89 PRO PRO C . n C 1 90 ALA 90 90 90 ALA ALA C . n C 1 91 PRO 91 91 91 PRO PRO C . n C 1 92 VAL 92 92 92 VAL VAL C . n C 1 93 HIS 93 93 93 HIS HIS C . n C 1 94 ILE 94 94 94 ILE ILE C . n C 1 95 CYS 95 95 95 CYS CYS C . n C 1 96 VAL 96 96 96 VAL VAL C . n C 1 97 SER 97 97 97 SER SER C . n C 1 98 TRP 98 98 98 TRP TRP C . n C 1 99 GLU 99 99 99 GLU GLU C . n C 1 100 SER 100 100 100 SER SER C . n C 1 101 SER 101 101 101 SER SER C . n C 1 102 SER 102 102 102 SER SER C . n C 1 103 GLY 103 103 103 GLY GLY C . n C 1 104 ILE 104 104 104 ILE ILE C . n C 1 105 ALA 105 105 105 ALA ALA C . n C 1 106 GLU 106 106 106 GLU GLU C . n C 1 107 PHE 107 107 107 PHE PHE C . n C 1 108 TRP 108 108 108 TRP TRP C . n C 1 109 ILE 109 109 109 ILE ILE C . n C 1 110 ASN 110 110 110 ASN ASN C . n C 1 111 GLY 111 111 111 GLY GLY C . n C 1 112 THR 112 112 112 THR THR C . n C 1 113 PRO 113 113 113 PRO PRO C . n C 1 114 LEU 114 114 114 LEU LEU C . n C 1 115 VAL 115 115 115 VAL VAL C . n C 1 116 LYS 116 116 116 LYS LYS C . n C 1 117 LYS 117 117 117 LYS LYS C . n C 1 118 GLY 118 118 118 GLY GLY C . n C 1 119 LEU 119 119 119 LEU LEU C . n C 1 120 ARG 120 120 120 ARG ARG C . n C 1 121 GLN 121 121 121 GLN GLN C . n C 1 122 GLY 122 122 122 GLY GLY C . n C 1 123 TYR 123 123 123 TYR TYR C . n C 1 124 PHE 124 124 124 PHE PHE C . n C 1 125 VAL 125 125 125 VAL VAL C . n C 1 126 GLU 126 126 126 GLU GLU C . n C 1 127 ALA 127 127 127 ALA ALA C . n C 1 128 GLN 128 128 128 GLN GLN C . n C 1 129 PRO 129 129 129 PRO PRO C . n C 1 130 LYS 130 130 130 LYS LYS C . n C 1 131 ILE 131 131 131 ILE ILE C . n C 1 132 VAL 132 132 132 VAL VAL C . n C 1 133 LEU 133 133 133 LEU LEU C . n C 1 134 GLY 134 134 134 GLY GLY C . n C 1 135 GLN 135 135 135 GLN GLN C . n C 1 136 GLU 136 136 136 GLU GLU C . n C 1 137 GLN 137 137 137 GLN GLN C . n C 1 138 ASP 138 138 138 ASP ASP C . n C 1 139 SER 139 139 139 SER SER C . n C 1 140 TYR 140 140 140 TYR TYR C . n C 1 141 GLY 141 141 141 GLY GLY C . n C 1 142 GLY 142 142 142 GLY GLY C . n C 1 143 LYS 143 143 143 LYS LYS C . n C 1 144 PHE 144 144 144 PHE PHE C . n C 1 145 ASP 145 145 145 ASP ASP C . n C 1 146 ARG 146 146 146 ARG ARG C . n C 1 147 SER 147 147 147 SER SER C . n C 1 148 GLN 148 148 148 GLN GLN C . n C 1 149 SER 149 149 149 SER SER C . n C 1 150 PHE 150 150 150 PHE PHE C . n C 1 151 VAL 151 151 151 VAL VAL C . n C 1 152 GLY 152 152 152 GLY GLY C . n C 1 153 GLU 153 153 153 GLU GLU C . n C 1 154 ILE 154 154 154 ILE ILE C . n C 1 155 GLY 155 155 155 GLY GLY C . n C 1 156 ASP 156 156 156 ASP ASP C . n C 1 157 LEU 157 157 157 LEU LEU C . n C 1 158 TYR 158 158 158 TYR TYR C . n C 1 159 MET 159 159 159 MET MET C . n C 1 160 TRP 160 160 160 TRP TRP C . n C 1 161 ASP 161 161 161 ASP ASP C . n C 1 162 SER 162 162 162 SER SER C . n C 1 163 VAL 163 163 163 VAL VAL C . n C 1 164 LEU 164 164 164 LEU LEU C . n C 1 165 PRO 165 165 165 PRO PRO C . n C 1 166 PRO 166 166 166 PRO PRO C . n C 1 167 GLU 167 167 167 GLU GLU C . n C 1 168 ASN 168 168 168 ASN ASN C . n C 1 169 ILE 169 169 169 ILE ILE C . n C 1 170 LEU 170 170 170 LEU LEU C . n C 1 171 SER 171 171 171 SER SER C . n C 1 172 ALA 172 172 172 ALA ALA C . n C 1 173 TYR 173 173 173 TYR TYR C . n C 1 174 GLN 174 174 174 GLN GLN C . n C 1 175 GLY 175 175 175 GLY GLY C . n C 1 176 THR 176 176 176 THR THR C . n C 1 177 PRO 177 177 177 PRO PRO C . n C 1 178 LEU 178 178 178 LEU LEU C . n C 1 179 PRO 179 179 179 PRO PRO C . n C 1 180 ALA 180 180 180 ALA ALA C . n C 1 181 ASN 181 181 181 ASN ASN C . n C 1 182 ILE 182 182 182 ILE ILE C . n C 1 183 LEU 183 183 183 LEU LEU C . n C 1 184 ASP 184 184 184 ASP ASP C . n C 1 185 TRP 185 185 185 TRP TRP C . n C 1 186 GLN 186 186 186 GLN GLN C . n C 1 187 ALA 187 187 187 ALA ALA C . n C 1 188 LEU 188 188 188 LEU LEU C . n C 1 189 ASN 189 189 189 ASN ASN C . n C 1 190 TYR 190 190 190 TYR TYR C . n C 1 191 GLU 191 191 191 GLU GLU C . n C 1 192 ILE 192 192 192 ILE ILE C . n C 1 193 ARG 193 193 193 ARG ARG C . n C 1 194 GLY 194 194 194 GLY GLY C . n C 1 195 TYR 195 195 195 TYR TYR C . n C 1 196 VAL 196 196 196 VAL VAL C . n C 1 197 ILE 197 197 197 ILE ILE C . n C 1 198 ILE 198 198 198 ILE ILE C . n C 1 199 LYS 199 199 199 LYS LYS C . n C 1 200 PRO 200 200 200 PRO PRO C . n C 1 201 LEU 201 201 201 LEU LEU C . n C 1 202 VAL 202 202 202 VAL VAL C . n C 1 203 TRP 203 203 203 TRP TRP C . n C 1 204 VAL 204 204 204 VAL VAL C . n D 1 1 HIS 1 1 1 HIS HIS D . n D 1 2 THR 2 2 2 THR THR D . n D 1 3 ASP 3 3 3 ASP ASP D . n D 1 4 LEU 4 4 4 LEU LEU D . n D 1 5 SER 5 5 5 SER SER D . n D 1 6 GLY 6 6 6 GLY GLY D . n D 1 7 LYS 7 7 7 LYS LYS D . n D 1 8 VAL 8 8 8 VAL VAL D . n D 1 9 PHE 9 9 9 PHE PHE D . n D 1 10 VAL 10 10 10 VAL VAL D . n D 1 11 PHE 11 11 11 PHE PHE D . n D 1 12 PRO 12 12 12 PRO PRO D . n D 1 13 ARG 13 13 13 ARG ARG D . n D 1 14 GLU 14 14 14 GLU GLU D . n D 1 15 SER 15 15 15 SER SER D . n D 1 16 VAL 16 16 16 VAL VAL D . n D 1 17 THR 17 17 17 THR THR D . n D 1 18 ASP 18 18 18 ASP ASP D . n D 1 19 HIS 19 19 19 HIS HIS D . n D 1 20 VAL 20 20 20 VAL VAL D . n D 1 21 ASN 21 21 21 ASN ASN D . n D 1 22 LEU 22 22 22 LEU LEU D . n D 1 23 ILE 23 23 23 ILE ILE D . n D 1 24 THR 24 24 24 THR THR D . n D 1 25 PRO 25 25 25 PRO PRO D . n D 1 26 LEU 26 26 26 LEU LEU D . n D 1 27 GLU 27 27 27 GLU GLU D . n D 1 28 LYS 28 28 28 LYS LYS D . n D 1 29 PRO 29 29 29 PRO PRO D . n D 1 30 LEU 30 30 30 LEU LEU D . n D 1 31 GLN 31 31 31 GLN GLN D . n D 1 32 ASN 32 32 32 ASN ASN D . n D 1 33 PHE 33 33 33 PHE PHE D . n D 1 34 THR 34 34 34 THR THR D . n D 1 35 LEU 35 35 35 LEU LEU D . n D 1 36 CYS 36 36 36 CYS CYS D . n D 1 37 PHE 37 37 37 PHE PHE D . n D 1 38 ARG 38 38 38 ARG ARG D . n D 1 39 ALA 39 39 39 ALA ALA D . n D 1 40 TYR 40 40 40 TYR TYR D . n D 1 41 SER 41 41 41 SER SER D . n D 1 42 ASP 42 42 42 ASP ASP D . n D 1 43 LEU 43 43 43 LEU LEU D . n D 1 44 SER 44 44 44 SER SER D . n D 1 45 ARG 45 45 45 ARG ARG D . n D 1 46 ALA 46 46 46 ALA ALA D . n D 1 47 TYR 47 47 47 TYR TYR D . n D 1 48 SER 48 48 48 SER SER D . n D 1 49 LEU 49 49 49 LEU LEU D . n D 1 50 PHE 50 50 50 PHE PHE D . n D 1 51 SER 51 51 51 SER SER D . n D 1 52 TYR 52 52 52 TYR TYR D . n D 1 53 ASN 53 53 53 ASN ASN D . n D 1 54 THR 54 54 54 THR THR D . n D 1 55 GLN 55 55 55 GLN GLN D . n D 1 56 GLY 56 56 56 GLY GLY D . n D 1 57 ARG 57 57 57 ARG ARG D . n D 1 58 ASP 58 58 58 ASP ASP D . n D 1 59 ASN 59 59 59 ASN ASN D . n D 1 60 GLU 60 60 60 GLU GLU D . n D 1 61 LEU 61 61 61 LEU LEU D . n D 1 62 LEU 62 62 62 LEU LEU D . n D 1 63 VAL 63 63 63 VAL VAL D . n D 1 64 TYR 64 64 64 TYR TYR D . n D 1 65 LYS 65 65 65 LYS LYS D . n D 1 66 GLU 66 66 66 GLU GLU D . n D 1 67 ARG 67 67 67 ARG ARG D . n D 1 68 VAL 68 68 68 VAL VAL D . n D 1 69 GLY 69 69 69 GLY GLY D . n D 1 70 GLU 70 70 70 GLU GLU D . n D 1 71 TYR 71 71 71 TYR TYR D . n D 1 72 SER 72 72 72 SER SER D . n D 1 73 LEU 73 73 73 LEU LEU D . n D 1 74 TYR 74 74 74 TYR TYR D . n D 1 75 ILE 75 75 75 ILE ILE D . n D 1 76 GLY 76 76 76 GLY GLY D . n D 1 77 ARG 77 77 77 ARG ARG D . n D 1 78 HIS 78 78 78 HIS HIS D . n D 1 79 LYS 79 79 79 LYS LYS D . n D 1 80 VAL 80 80 80 VAL VAL D . n D 1 81 THR 81 81 81 THR THR D . n D 1 82 SER 82 82 82 SER SER D . n D 1 83 LYS 83 83 83 LYS LYS D . n D 1 84 VAL 84 84 84 VAL VAL D . n D 1 85 ILE 85 85 85 ILE ILE D . n D 1 86 GLU 86 86 86 GLU GLU D . n D 1 87 LYS 87 87 87 LYS LYS D . n D 1 88 PHE 88 88 88 PHE PHE D . n D 1 89 PRO 89 89 89 PRO PRO D . n D 1 90 ALA 90 90 90 ALA ALA D . n D 1 91 PRO 91 91 91 PRO PRO D . n D 1 92 VAL 92 92 92 VAL VAL D . n D 1 93 HIS 93 93 93 HIS HIS D . n D 1 94 ILE 94 94 94 ILE ILE D . n D 1 95 CYS 95 95 95 CYS CYS D . n D 1 96 VAL 96 96 96 VAL VAL D . n D 1 97 SER 97 97 97 SER SER D . n D 1 98 TRP 98 98 98 TRP TRP D . n D 1 99 GLU 99 99 99 GLU GLU D . n D 1 100 SER 100 100 100 SER SER D . n D 1 101 SER 101 101 101 SER SER D . n D 1 102 SER 102 102 102 SER SER D . n D 1 103 GLY 103 103 103 GLY GLY D . n D 1 104 ILE 104 104 104 ILE ILE D . n D 1 105 ALA 105 105 105 ALA ALA D . n D 1 106 GLU 106 106 106 GLU GLU D . n D 1 107 PHE 107 107 107 PHE PHE D . n D 1 108 TRP 108 108 108 TRP TRP D . n D 1 109 ILE 109 109 109 ILE ILE D . n D 1 110 ASN 110 110 110 ASN ASN D . n D 1 111 GLY 111 111 111 GLY GLY D . n D 1 112 THR 112 112 112 THR THR D . n D 1 113 PRO 113 113 113 PRO PRO D . n D 1 114 LEU 114 114 114 LEU LEU D . n D 1 115 VAL 115 115 115 VAL VAL D . n D 1 116 LYS 116 116 116 LYS LYS D . n D 1 117 LYS 117 117 117 LYS LYS D . n D 1 118 GLY 118 118 118 GLY GLY D . n D 1 119 LEU 119 119 119 LEU LEU D . n D 1 120 ARG 120 120 120 ARG ARG D . n D 1 121 GLN 121 121 121 GLN GLN D . n D 1 122 GLY 122 122 122 GLY GLY D . n D 1 123 TYR 123 123 123 TYR TYR D . n D 1 124 PHE 124 124 124 PHE PHE D . n D 1 125 VAL 125 125 125 VAL VAL D . n D 1 126 GLU 126 126 126 GLU GLU D . n D 1 127 ALA 127 127 127 ALA ALA D . n D 1 128 GLN 128 128 128 GLN GLN D . n D 1 129 PRO 129 129 129 PRO PRO D . n D 1 130 LYS 130 130 130 LYS LYS D . n D 1 131 ILE 131 131 131 ILE ILE D . n D 1 132 VAL 132 132 132 VAL VAL D . n D 1 133 LEU 133 133 133 LEU LEU D . n D 1 134 GLY 134 134 134 GLY GLY D . n D 1 135 GLN 135 135 135 GLN GLN D . n D 1 136 GLU 136 136 136 GLU GLU D . n D 1 137 GLN 137 137 137 GLN GLN D . n D 1 138 ASP 138 138 138 ASP ASP D . n D 1 139 SER 139 139 139 SER SER D . n D 1 140 TYR 140 140 140 TYR TYR D . n D 1 141 GLY 141 141 141 GLY GLY D . n D 1 142 GLY 142 142 142 GLY GLY D . n D 1 143 LYS 143 143 143 LYS LYS D . n D 1 144 PHE 144 144 144 PHE PHE D . n D 1 145 ASP 145 145 145 ASP ASP D . n D 1 146 ARG 146 146 146 ARG ARG D . n D 1 147 SER 147 147 147 SER SER D . n D 1 148 GLN 148 148 148 GLN GLN D . n D 1 149 SER 149 149 149 SER SER D . n D 1 150 PHE 150 150 150 PHE PHE D . n D 1 151 VAL 151 151 151 VAL VAL D . n D 1 152 GLY 152 152 152 GLY GLY D . n D 1 153 GLU 153 153 153 GLU GLU D . n D 1 154 ILE 154 154 154 ILE ILE D . n D 1 155 GLY 155 155 155 GLY GLY D . n D 1 156 ASP 156 156 156 ASP ASP D . n D 1 157 LEU 157 157 157 LEU LEU D . n D 1 158 TYR 158 158 158 TYR TYR D . n D 1 159 MET 159 159 159 MET MET D . n D 1 160 TRP 160 160 160 TRP TRP D . n D 1 161 ASP 161 161 161 ASP ASP D . n D 1 162 SER 162 162 162 SER SER D . n D 1 163 VAL 163 163 163 VAL VAL D . n D 1 164 LEU 164 164 164 LEU LEU D . n D 1 165 PRO 165 165 165 PRO PRO D . n D 1 166 PRO 166 166 166 PRO PRO D . n D 1 167 GLU 167 167 167 GLU GLU D . n D 1 168 ASN 168 168 168 ASN ASN D . n D 1 169 ILE 169 169 169 ILE ILE D . n D 1 170 LEU 170 170 170 LEU LEU D . n D 1 171 SER 171 171 171 SER SER D . n D 1 172 ALA 172 172 172 ALA ALA D . n D 1 173 TYR 173 173 173 TYR TYR D . n D 1 174 GLN 174 174 174 GLN GLN D . n D 1 175 GLY 175 175 175 GLY GLY D . n D 1 176 THR 176 176 176 THR THR D . n D 1 177 PRO 177 177 177 PRO PRO D . n D 1 178 LEU 178 178 178 LEU LEU D . n D 1 179 PRO 179 179 179 PRO PRO D . n D 1 180 ALA 180 180 180 ALA ALA D . n D 1 181 ASN 181 181 181 ASN ASN D . n D 1 182 ILE 182 182 182 ILE ILE D . n D 1 183 LEU 183 183 183 LEU LEU D . n D 1 184 ASP 184 184 184 ASP ASP D . n D 1 185 TRP 185 185 185 TRP TRP D . n D 1 186 GLN 186 186 186 GLN GLN D . n D 1 187 ALA 187 187 187 ALA ALA D . n D 1 188 LEU 188 188 188 LEU LEU D . n D 1 189 ASN 189 189 189 ASN ASN D . n D 1 190 TYR 190 190 190 TYR TYR D . n D 1 191 GLU 191 191 191 GLU GLU D . n D 1 192 ILE 192 192 192 ILE ILE D . n D 1 193 ARG 193 193 193 ARG ARG D . n D 1 194 GLY 194 194 194 GLY GLY D . n D 1 195 TYR 195 195 195 TYR TYR D . n D 1 196 VAL 196 196 196 VAL VAL D . n D 1 197 ILE 197 197 197 ILE ILE D . n D 1 198 ILE 198 198 198 ILE ILE D . n D 1 199 LYS 199 199 199 LYS LYS D . n D 1 200 PRO 200 200 200 PRO PRO D . n D 1 201 LEU 201 201 201 LEU LEU D . n D 1 202 VAL 202 202 202 VAL VAL D . n D 1 203 TRP 203 203 203 TRP TRP D . n D 1 204 VAL 204 204 204 VAL VAL D . n E 1 1 HIS 1 1 1 HIS HIS E . n E 1 2 THR 2 2 2 THR THR E . n E 1 3 ASP 3 3 3 ASP ASP E . n E 1 4 LEU 4 4 4 LEU LEU E . n E 1 5 SER 5 5 5 SER SER E . n E 1 6 GLY 6 6 6 GLY GLY E . n E 1 7 LYS 7 7 7 LYS LYS E . n E 1 8 VAL 8 8 8 VAL VAL E . n E 1 9 PHE 9 9 9 PHE PHE E . n E 1 10 VAL 10 10 10 VAL VAL E . n E 1 11 PHE 11 11 11 PHE PHE E . n E 1 12 PRO 12 12 12 PRO PRO E . n E 1 13 ARG 13 13 13 ARG ARG E . n E 1 14 GLU 14 14 14 GLU GLU E . n E 1 15 SER 15 15 15 SER SER E . n E 1 16 VAL 16 16 16 VAL VAL E . n E 1 17 THR 17 17 17 THR THR E . n E 1 18 ASP 18 18 18 ASP ASP E . n E 1 19 HIS 19 19 19 HIS HIS E . n E 1 20 VAL 20 20 20 VAL VAL E . n E 1 21 ASN 21 21 21 ASN ASN E . n E 1 22 LEU 22 22 22 LEU LEU E . n E 1 23 ILE 23 23 23 ILE ILE E . n E 1 24 THR 24 24 24 THR THR E . n E 1 25 PRO 25 25 25 PRO PRO E . n E 1 26 LEU 26 26 26 LEU LEU E . n E 1 27 GLU 27 27 27 GLU GLU E . n E 1 28 LYS 28 28 28 LYS LYS E . n E 1 29 PRO 29 29 29 PRO PRO E . n E 1 30 LEU 30 30 30 LEU LEU E . n E 1 31 GLN 31 31 31 GLN GLN E . n E 1 32 ASN 32 32 32 ASN ASN E . n E 1 33 PHE 33 33 33 PHE PHE E . n E 1 34 THR 34 34 34 THR THR E . n E 1 35 LEU 35 35 35 LEU LEU E . n E 1 36 CYS 36 36 36 CYS CYS E . n E 1 37 PHE 37 37 37 PHE PHE E . n E 1 38 ARG 38 38 38 ARG ARG E . n E 1 39 ALA 39 39 39 ALA ALA E . n E 1 40 TYR 40 40 40 TYR TYR E . n E 1 41 SER 41 41 41 SER SER E . n E 1 42 ASP 42 42 42 ASP ASP E . n E 1 43 LEU 43 43 43 LEU LEU E . n E 1 44 SER 44 44 44 SER SER E . n E 1 45 ARG 45 45 45 ARG ARG E . n E 1 46 ALA 46 46 46 ALA ALA E . n E 1 47 TYR 47 47 47 TYR TYR E . n E 1 48 SER 48 48 48 SER SER E . n E 1 49 LEU 49 49 49 LEU LEU E . n E 1 50 PHE 50 50 50 PHE PHE E . n E 1 51 SER 51 51 51 SER SER E . n E 1 52 TYR 52 52 52 TYR TYR E . n E 1 53 ASN 53 53 53 ASN ASN E . n E 1 54 THR 54 54 54 THR THR E . n E 1 55 GLN 55 55 55 GLN GLN E . n E 1 56 GLY 56 56 56 GLY GLY E . n E 1 57 ARG 57 57 57 ARG ARG E . n E 1 58 ASP 58 58 58 ASP ASP E . n E 1 59 ASN 59 59 59 ASN ASN E . n E 1 60 GLU 60 60 60 GLU GLU E . n E 1 61 LEU 61 61 61 LEU LEU E . n E 1 62 LEU 62 62 62 LEU LEU E . n E 1 63 VAL 63 63 63 VAL VAL E . n E 1 64 TYR 64 64 64 TYR TYR E . n E 1 65 LYS 65 65 65 LYS LYS E . n E 1 66 GLU 66 66 66 GLU GLU E . n E 1 67 ARG 67 67 67 ARG ARG E . n E 1 68 VAL 68 68 68 VAL VAL E . n E 1 69 GLY 69 69 69 GLY GLY E . n E 1 70 GLU 70 70 70 GLU GLU E . n E 1 71 TYR 71 71 71 TYR TYR E . n E 1 72 SER 72 72 72 SER SER E . n E 1 73 LEU 73 73 73 LEU LEU E . n E 1 74 TYR 74 74 74 TYR TYR E . n E 1 75 ILE 75 75 75 ILE ILE E . n E 1 76 GLY 76 76 76 GLY GLY E . n E 1 77 ARG 77 77 77 ARG ARG E . n E 1 78 HIS 78 78 78 HIS HIS E . n E 1 79 LYS 79 79 79 LYS LYS E . n E 1 80 VAL 80 80 80 VAL VAL E . n E 1 81 THR 81 81 81 THR THR E . n E 1 82 SER 82 82 82 SER SER E . n E 1 83 LYS 83 83 83 LYS LYS E . n E 1 84 VAL 84 84 84 VAL VAL E . n E 1 85 ILE 85 85 85 ILE ILE E . n E 1 86 GLU 86 86 86 GLU GLU E . n E 1 87 LYS 87 87 87 LYS LYS E . n E 1 88 PHE 88 88 88 PHE PHE E . n E 1 89 PRO 89 89 89 PRO PRO E . n E 1 90 ALA 90 90 90 ALA ALA E . n E 1 91 PRO 91 91 91 PRO PRO E . n E 1 92 VAL 92 92 92 VAL VAL E . n E 1 93 HIS 93 93 93 HIS HIS E . n E 1 94 ILE 94 94 94 ILE ILE E . n E 1 95 CYS 95 95 95 CYS CYS E . n E 1 96 VAL 96 96 96 VAL VAL E . n E 1 97 SER 97 97 97 SER SER E . n E 1 98 TRP 98 98 98 TRP TRP E . n E 1 99 GLU 99 99 99 GLU GLU E . n E 1 100 SER 100 100 100 SER SER E . n E 1 101 SER 101 101 101 SER SER E . n E 1 102 SER 102 102 102 SER SER E . n E 1 103 GLY 103 103 103 GLY GLY E . n E 1 104 ILE 104 104 104 ILE ILE E . n E 1 105 ALA 105 105 105 ALA ALA E . n E 1 106 GLU 106 106 106 GLU GLU E . n E 1 107 PHE 107 107 107 PHE PHE E . n E 1 108 TRP 108 108 108 TRP TRP E . n E 1 109 ILE 109 109 109 ILE ILE E . n E 1 110 ASN 110 110 110 ASN ASN E . n E 1 111 GLY 111 111 111 GLY GLY E . n E 1 112 THR 112 112 112 THR THR E . n E 1 113 PRO 113 113 113 PRO PRO E . n E 1 114 LEU 114 114 114 LEU LEU E . n E 1 115 VAL 115 115 115 VAL VAL E . n E 1 116 LYS 116 116 116 LYS LYS E . n E 1 117 LYS 117 117 117 LYS LYS E . n E 1 118 GLY 118 118 118 GLY GLY E . n E 1 119 LEU 119 119 119 LEU LEU E . n E 1 120 ARG 120 120 120 ARG ARG E . n E 1 121 GLN 121 121 121 GLN GLN E . n E 1 122 GLY 122 122 122 GLY GLY E . n E 1 123 TYR 123 123 123 TYR TYR E . n E 1 124 PHE 124 124 124 PHE PHE E . n E 1 125 VAL 125 125 125 VAL VAL E . n E 1 126 GLU 126 126 126 GLU GLU E . n E 1 127 ALA 127 127 127 ALA ALA E . n E 1 128 GLN 128 128 128 GLN GLN E . n E 1 129 PRO 129 129 129 PRO PRO E . n E 1 130 LYS 130 130 130 LYS LYS E . n E 1 131 ILE 131 131 131 ILE ILE E . n E 1 132 VAL 132 132 132 VAL VAL E . n E 1 133 LEU 133 133 133 LEU LEU E . n E 1 134 GLY 134 134 134 GLY GLY E . n E 1 135 GLN 135 135 135 GLN GLN E . n E 1 136 GLU 136 136 136 GLU GLU E . n E 1 137 GLN 137 137 137 GLN GLN E . n E 1 138 ASP 138 138 138 ASP ASP E . n E 1 139 SER 139 139 139 SER SER E . n E 1 140 TYR 140 140 140 TYR TYR E . n E 1 141 GLY 141 141 141 GLY GLY E . n E 1 142 GLY 142 142 142 GLY GLY E . n E 1 143 LYS 143 143 143 LYS LYS E . n E 1 144 PHE 144 144 144 PHE PHE E . n E 1 145 ASP 145 145 145 ASP ASP E . n E 1 146 ARG 146 146 146 ARG ARG E . n E 1 147 SER 147 147 147 SER SER E . n E 1 148 GLN 148 148 148 GLN GLN E . n E 1 149 SER 149 149 149 SER SER E . n E 1 150 PHE 150 150 150 PHE PHE E . n E 1 151 VAL 151 151 151 VAL VAL E . n E 1 152 GLY 152 152 152 GLY GLY E . n E 1 153 GLU 153 153 153 GLU GLU E . n E 1 154 ILE 154 154 154 ILE ILE E . n E 1 155 GLY 155 155 155 GLY GLY E . n E 1 156 ASP 156 156 156 ASP ASP E . n E 1 157 LEU 157 157 157 LEU LEU E . n E 1 158 TYR 158 158 158 TYR TYR E . n E 1 159 MET 159 159 159 MET MET E . n E 1 160 TRP 160 160 160 TRP TRP E . n E 1 161 ASP 161 161 161 ASP ASP E . n E 1 162 SER 162 162 162 SER SER E . n E 1 163 VAL 163 163 163 VAL VAL E . n E 1 164 LEU 164 164 164 LEU LEU E . n E 1 165 PRO 165 165 165 PRO PRO E . n E 1 166 PRO 166 166 166 PRO PRO E . n E 1 167 GLU 167 167 167 GLU GLU E . n E 1 168 ASN 168 168 168 ASN ASN E . n E 1 169 ILE 169 169 169 ILE ILE E . n E 1 170 LEU 170 170 170 LEU LEU E . n E 1 171 SER 171 171 171 SER SER E . n E 1 172 ALA 172 172 172 ALA ALA E . n E 1 173 TYR 173 173 173 TYR TYR E . n E 1 174 GLN 174 174 174 GLN GLN E . n E 1 175 GLY 175 175 175 GLY GLY E . n E 1 176 THR 176 176 176 THR THR E . n E 1 177 PRO 177 177 177 PRO PRO E . n E 1 178 LEU 178 178 178 LEU LEU E . n E 1 179 PRO 179 179 179 PRO PRO E . n E 1 180 ALA 180 180 180 ALA ALA E . n E 1 181 ASN 181 181 181 ASN ASN E . n E 1 182 ILE 182 182 182 ILE ILE E . n E 1 183 LEU 183 183 183 LEU LEU E . n E 1 184 ASP 184 184 184 ASP ASP E . n E 1 185 TRP 185 185 185 TRP TRP E . n E 1 186 GLN 186 186 186 GLN GLN E . n E 1 187 ALA 187 187 187 ALA ALA E . n E 1 188 LEU 188 188 188 LEU LEU E . n E 1 189 ASN 189 189 189 ASN ASN E . n E 1 190 TYR 190 190 190 TYR TYR E . n E 1 191 GLU 191 191 191 GLU GLU E . n E 1 192 ILE 192 192 192 ILE ILE E . n E 1 193 ARG 193 193 193 ARG ARG E . n E 1 194 GLY 194 194 194 GLY GLY E . n E 1 195 TYR 195 195 195 TYR TYR E . n E 1 196 VAL 196 196 196 VAL VAL E . n E 1 197 ILE 197 197 197 ILE ILE E . n E 1 198 ILE 198 198 198 ILE ILE E . n E 1 199 LYS 199 199 199 LYS LYS E . n E 1 200 PRO 200 200 200 PRO PRO E . n E 1 201 LEU 201 201 201 LEU LEU E . n E 1 202 VAL 202 202 202 VAL VAL E . n E 1 203 TRP 203 203 203 TRP TRP E . n E 1 204 VAL 204 204 204 VAL VAL E . 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 F 2 NAG 1 205 205 NAG NAG A . G 3 CA 1 206 206 CA CA A . H 3 CA 1 207 207 CA CA A . I 4 N7P 1 208 208 N7P N7P A . J 2 NAG 1 205 205 NAG NAG B . K 3 CA 1 206 206 CA CA B . L 3 CA 1 207 207 CA CA B . M 4 N7P 1 208 208 N7P N7P B . N 2 NAG 1 205 205 NAG NAG C . O 3 CA 1 206 206 CA CA C . P 3 CA 1 207 207 CA CA C . Q 4 N7P 1 208 208 N7P N7P C . R 2 NAG 1 205 205 NAG NAG D . S 3 CA 1 206 206 CA CA D . T 3 CA 1 207 207 CA CA D . U 4 N7P 1 208 208 N7P N7P D . V 2 NAG 1 205 205 NAG NAG E . W 3 CA 1 206 206 CA CA E . X 3 CA 1 207 207 CA CA E . Y 4 N7P 1 208 208 N7P N7P E . Z 5 HOH 1 2001 2001 HOH HOH A . Z 5 HOH 2 2002 2002 HOH HOH A . Z 5 HOH 3 2003 2003 HOH HOH A . Z 5 HOH 4 2004 2004 HOH HOH A . Z 5 HOH 5 2005 2005 HOH HOH A . Z 5 HOH 6 2006 2006 HOH HOH A . Z 5 HOH 7 2007 2007 HOH HOH A . Z 5 HOH 8 2008 2008 HOH HOH A . Z 5 HOH 9 2009 2009 HOH HOH A . Z 5 HOH 10 2010 2010 HOH HOH A . Z 5 HOH 11 2011 2011 HOH HOH A . Z 5 HOH 12 2012 2012 HOH HOH A . Z 5 HOH 13 2013 2013 HOH HOH A . Z 5 HOH 14 2014 2014 HOH HOH A . Z 5 HOH 15 2015 2015 HOH HOH A . Z 5 HOH 16 2016 2016 HOH HOH A . Z 5 HOH 17 2017 2017 HOH HOH A . Z 5 HOH 18 2018 2018 HOH HOH A . Z 5 HOH 19 2019 2019 HOH HOH A . Z 5 HOH 20 2020 2020 HOH HOH A . Z 5 HOH 21 2021 2021 HOH HOH A . Z 5 HOH 22 2022 2022 HOH HOH A . Z 5 HOH 23 2023 2023 HOH HOH A . Z 5 HOH 24 2024 2024 HOH HOH A . Z 5 HOH 25 2025 2025 HOH HOH A . Z 5 HOH 26 2026 2026 HOH HOH A . Z 5 HOH 27 2027 2027 HOH HOH A . Z 5 HOH 28 2028 2028 HOH HOH A . Z 5 HOH 29 2029 2029 HOH HOH A . Z 5 HOH 30 2030 2030 HOH HOH A . Z 5 HOH 31 2031 2031 HOH HOH A . Z 5 HOH 32 2032 2032 HOH HOH A . Z 5 HOH 33 2033 2033 HOH HOH A . Z 5 HOH 34 2034 2034 HOH HOH A . Z 5 HOH 35 2035 2035 HOH HOH A . Z 5 HOH 36 2036 2036 HOH HOH A . Z 5 HOH 37 2037 2037 HOH HOH A . Z 5 HOH 38 2038 2038 HOH HOH A . Z 5 HOH 39 2039 2039 HOH HOH A . Z 5 HOH 40 2040 2040 HOH HOH A . Z 5 HOH 41 2041 2041 HOH HOH A . Z 5 HOH 42 2042 2042 HOH HOH A . Z 5 HOH 43 2043 2043 HOH HOH A . Z 5 HOH 44 2044 2044 HOH HOH A . Z 5 HOH 45 2045 2045 HOH HOH A . Z 5 HOH 46 2046 2046 HOH HOH A . Z 5 HOH 47 2047 2047 HOH HOH A . Z 5 HOH 48 2048 2048 HOH HOH A . Z 5 HOH 49 2049 2049 HOH HOH A . Z 5 HOH 50 2050 2050 HOH HOH A . Z 5 HOH 51 2051 2051 HOH HOH A . Z 5 HOH 52 2052 2052 HOH HOH A . Z 5 HOH 53 2053 2053 HOH HOH A . Z 5 HOH 54 2054 2054 HOH HOH A . Z 5 HOH 55 2055 2055 HOH HOH A . Z 5 HOH 56 2056 2056 HOH HOH A . Z 5 HOH 57 2057 2057 HOH HOH A . Z 5 HOH 58 2058 2058 HOH HOH A . Z 5 HOH 59 2059 2059 HOH HOH A . Z 5 HOH 60 2060 2060 HOH HOH A . Z 5 HOH 61 2061 2061 HOH HOH A . Z 5 HOH 62 2062 2062 HOH HOH A . Z 5 HOH 63 2063 2063 HOH HOH A . Z 5 HOH 64 2064 2064 HOH HOH A . Z 5 HOH 65 2065 2065 HOH HOH A . Z 5 HOH 66 2066 2066 HOH HOH A . Z 5 HOH 67 2067 2067 HOH HOH A . Z 5 HOH 68 2068 2068 HOH HOH A . Z 5 HOH 69 2069 2069 HOH HOH A . Z 5 HOH 70 2070 2070 HOH HOH A . Z 5 HOH 71 2071 2071 HOH HOH A . Z 5 HOH 72 2072 2072 HOH HOH A . Z 5 HOH 73 2073 2073 HOH HOH A . Z 5 HOH 74 2074 2074 HOH HOH A . Z 5 HOH 75 2075 2075 HOH HOH A . Z 5 HOH 76 2076 2076 HOH HOH A . Z 5 HOH 77 2077 2077 HOH HOH A . Z 5 HOH 78 2078 2078 HOH HOH A . Z 5 HOH 79 2079 2079 HOH HOH A . Z 5 HOH 80 2080 2080 HOH HOH A . Z 5 HOH 81 2081 2081 HOH HOH A . Z 5 HOH 82 2082 2082 HOH HOH A . Z 5 HOH 83 2083 2083 HOH HOH A . Z 5 HOH 84 2084 2084 HOH HOH A . Z 5 HOH 85 2085 2085 HOH HOH A . Z 5 HOH 86 2086 2086 HOH HOH A . Z 5 HOH 87 2087 2087 HOH HOH A . Z 5 HOH 88 2088 2088 HOH HOH A . Z 5 HOH 89 2089 2089 HOH HOH A . Z 5 HOH 90 2090 2090 HOH HOH A . Z 5 HOH 91 2091 2091 HOH HOH A . Z 5 HOH 92 2092 2092 HOH HOH A . Z 5 HOH 93 2093 2093 HOH HOH A . Z 5 HOH 94 2094 2094 HOH HOH A . Z 5 HOH 95 2095 2095 HOH HOH A . Z 5 HOH 96 2096 2096 HOH HOH A . Z 5 HOH 97 2097 2097 HOH HOH A . Z 5 HOH 98 2098 2098 HOH HOH A . Z 5 HOH 99 2099 2099 HOH HOH A . Z 5 HOH 100 2100 2100 HOH HOH A . Z 5 HOH 101 2101 2101 HOH HOH A . Z 5 HOH 102 2102 2102 HOH HOH A . Z 5 HOH 103 2103 2103 HOH HOH A . Z 5 HOH 104 2104 2104 HOH HOH A . Z 5 HOH 105 2105 2105 HOH HOH A . Z 5 HOH 106 2106 2106 HOH HOH A . Z 5 HOH 107 2107 2107 HOH HOH A . Z 5 HOH 108 2108 2108 HOH HOH A . Z 5 HOH 109 2109 2109 HOH HOH A . Z 5 HOH 110 2110 2110 HOH HOH A . Z 5 HOH 111 2111 2111 HOH HOH A . Z 5 HOH 112 2112 2112 HOH HOH A . Z 5 HOH 113 2113 2113 HOH HOH A . Z 5 HOH 114 2114 2114 HOH HOH A . Z 5 HOH 115 2115 2115 HOH HOH A . Z 5 HOH 116 2116 2116 HOH HOH A . Z 5 HOH 117 2117 2117 HOH HOH A . Z 5 HOH 118 2118 2118 HOH HOH A . Z 5 HOH 119 2119 2119 HOH HOH A . Z 5 HOH 120 2120 2120 HOH HOH A . Z 5 HOH 121 2121 2121 HOH HOH A . Z 5 HOH 122 2122 2122 HOH HOH A . Z 5 HOH 123 2123 2123 HOH HOH A . Z 5 HOH 124 2124 2124 HOH HOH A . Z 5 HOH 125 2125 2125 HOH HOH A . Z 5 HOH 126 2126 2126 HOH HOH A . Z 5 HOH 127 2127 2127 HOH HOH A . Z 5 HOH 128 2128 2128 HOH HOH A . Z 5 HOH 129 2129 2129 HOH HOH A . Z 5 HOH 130 2130 2130 HOH HOH A . Z 5 HOH 131 2131 2131 HOH HOH A . Z 5 HOH 132 2132 2132 HOH HOH A . Z 5 HOH 133 2133 2133 HOH HOH A . Z 5 HOH 134 2134 2134 HOH HOH A . Z 5 HOH 135 2135 2135 HOH HOH A . Z 5 HOH 136 2136 2136 HOH HOH A . Z 5 HOH 137 2137 2137 HOH HOH A . Z 5 HOH 138 2138 2138 HOH HOH A . Z 5 HOH 139 2139 2139 HOH HOH A . Z 5 HOH 140 2140 2140 HOH HOH A . Z 5 HOH 141 2141 2141 HOH HOH A . Z 5 HOH 142 2142 2142 HOH HOH A . Z 5 HOH 143 2143 2143 HOH HOH A . Z 5 HOH 144 2144 2144 HOH HOH A . Z 5 HOH 145 2145 2145 HOH HOH A . Z 5 HOH 146 2146 2146 HOH HOH A . Z 5 HOH 147 2147 2147 HOH HOH A . Z 5 HOH 148 2148 2148 HOH HOH A . Z 5 HOH 149 2149 2149 HOH HOH A . Z 5 HOH 150 2150 2150 HOH HOH A . Z 5 HOH 151 2151 2151 HOH HOH A . Z 5 HOH 152 2152 2152 HOH HOH A . Z 5 HOH 153 2153 2153 HOH HOH A . Z 5 HOH 154 2154 2154 HOH HOH A . Z 5 HOH 155 2155 2155 HOH HOH A . Z 5 HOH 156 2156 2156 HOH HOH A . Z 5 HOH 157 2157 2157 HOH HOH A . Z 5 HOH 158 2158 2158 HOH HOH A . Z 5 HOH 159 2159 2159 HOH HOH A . Z 5 HOH 160 2160 2160 HOH HOH A . Z 5 HOH 161 2161 2161 HOH HOH A . Z 5 HOH 162 2162 2162 HOH HOH A . Z 5 HOH 163 2163 2163 HOH HOH A . Z 5 HOH 164 2164 2164 HOH HOH A . Z 5 HOH 165 2165 2165 HOH HOH A . Z 5 HOH 166 2166 2166 HOH HOH A . Z 5 HOH 167 2167 2167 HOH HOH A . Z 5 HOH 168 2168 2168 HOH HOH A . Z 5 HOH 169 2169 2169 HOH HOH A . Z 5 HOH 170 2170 2170 HOH HOH A . Z 5 HOH 171 2171 2171 HOH HOH A . Z 5 HOH 172 2172 2172 HOH HOH A . Z 5 HOH 173 2173 2173 HOH HOH A . Z 5 HOH 174 2174 2174 HOH HOH A . Z 5 HOH 175 2175 2175 HOH HOH A . Z 5 HOH 176 2176 2176 HOH HOH A . Z 5 HOH 177 2177 2177 HOH HOH A . Z 5 HOH 178 2178 2178 HOH HOH A . Z 5 HOH 179 2179 2179 HOH HOH A . Z 5 HOH 180 2180 2180 HOH HOH A . Z 5 HOH 181 2181 2181 HOH HOH A . Z 5 HOH 182 2182 2182 HOH HOH A . Z 5 HOH 183 2183 2183 HOH HOH A . Z 5 HOH 184 2184 2184 HOH HOH A . Z 5 HOH 185 2185 2185 HOH HOH A . Z 5 HOH 186 2186 2186 HOH HOH A . Z 5 HOH 187 2187 2187 HOH HOH A . Z 5 HOH 188 2188 2188 HOH HOH A . Z 5 HOH 189 2189 2189 HOH HOH A . Z 5 HOH 190 2190 2190 HOH HOH A . Z 5 HOH 191 2191 2191 HOH HOH A . Z 5 HOH 192 2192 2192 HOH HOH A . Z 5 HOH 193 2193 2193 HOH HOH A . Z 5 HOH 194 2194 2194 HOH HOH A . Z 5 HOH 195 2195 2195 HOH HOH A . Z 5 HOH 196 2196 2196 HOH HOH A . Z 5 HOH 197 2197 2197 HOH HOH A . Z 5 HOH 198 2198 2198 HOH HOH A . Z 5 HOH 199 2199 2199 HOH HOH A . Z 5 HOH 200 2200 2200 HOH HOH A . Z 5 HOH 201 2201 2201 HOH HOH A . Z 5 HOH 202 2202 2202 HOH HOH A . Z 5 HOH 203 2203 2203 HOH HOH A . Z 5 HOH 204 2204 2204 HOH HOH A . Z 5 HOH 205 2205 2205 HOH HOH A . Z 5 HOH 206 2206 2206 HOH HOH A . Z 5 HOH 207 2207 2207 HOH HOH A . Z 5 HOH 208 2208 2208 HOH HOH A . Z 5 HOH 209 2209 2209 HOH HOH A . Z 5 HOH 210 2210 2210 HOH HOH A . Z 5 HOH 211 2211 2211 HOH HOH A . Z 5 HOH 212 2212 2212 HOH HOH A . Z 5 HOH 213 2213 2213 HOH HOH A . Z 5 HOH 214 2214 2214 HOH HOH A . Z 5 HOH 215 2215 2215 HOH HOH A . Z 5 HOH 216 2216 2216 HOH HOH A . Z 5 HOH 217 2217 2217 HOH HOH A . Z 5 HOH 218 2218 2218 HOH HOH A . Z 5 HOH 219 2219 2219 HOH HOH A . Z 5 HOH 220 2220 2220 HOH HOH A . Z 5 HOH 221 2221 2221 HOH HOH A . Z 5 HOH 222 2222 2222 HOH HOH A . Z 5 HOH 223 2223 2223 HOH HOH A . Z 5 HOH 224 2224 2224 HOH HOH A . Z 5 HOH 225 2225 2225 HOH HOH A . Z 5 HOH 226 2226 2226 HOH HOH A . Z 5 HOH 227 2227 2227 HOH HOH A . Z 5 HOH 228 2228 2228 HOH HOH A . Z 5 HOH 229 2229 2229 HOH HOH A . Z 5 HOH 230 2230 2230 HOH HOH A . Z 5 HOH 231 2231 2231 HOH HOH A . Z 5 HOH 232 2232 2232 HOH HOH A . Z 5 HOH 233 2233 2233 HOH HOH A . Z 5 HOH 234 2234 2234 HOH HOH A . Z 5 HOH 235 2235 2235 HOH HOH A . Z 5 HOH 236 2236 2236 HOH HOH A . Z 5 HOH 237 2237 2237 HOH HOH A . Z 5 HOH 238 2238 2238 HOH HOH A . Z 5 HOH 239 2239 2239 HOH HOH A . Z 5 HOH 240 2240 2240 HOH HOH A . Z 5 HOH 241 2241 2241 HOH HOH A . Z 5 HOH 242 2242 2242 HOH HOH A . Z 5 HOH 243 2243 2243 HOH HOH A . Z 5 HOH 244 2244 2244 HOH HOH A . Z 5 HOH 245 2245 2245 HOH HOH A . Z 5 HOH 246 2246 2246 HOH HOH A . Z 5 HOH 247 2247 2247 HOH HOH A . Z 5 HOH 248 2248 2248 HOH HOH A . Z 5 HOH 249 2249 2249 HOH HOH A . Z 5 HOH 250 2250 2250 HOH HOH A . Z 5 HOH 251 2251 2251 HOH HOH A . Z 5 HOH 252 2252 2252 HOH HOH A . Z 5 HOH 253 2253 2253 HOH HOH A . Z 5 HOH 254 2254 2254 HOH HOH A . Z 5 HOH 255 2255 2255 HOH HOH A . Z 5 HOH 256 2256 2256 HOH HOH A . Z 5 HOH 257 2257 2257 HOH HOH A . AA 5 HOH 1 2001 2001 HOH HOH B . AA 5 HOH 2 2002 2002 HOH HOH B . AA 5 HOH 3 2003 2003 HOH HOH B . AA 5 HOH 4 2004 2004 HOH HOH B . AA 5 HOH 5 2005 2005 HOH HOH B . AA 5 HOH 6 2006 2006 HOH HOH B . AA 5 HOH 7 2007 2007 HOH HOH B . AA 5 HOH 8 2008 2008 HOH HOH B . AA 5 HOH 9 2009 2009 HOH HOH B . AA 5 HOH 10 2010 2010 HOH HOH B . AA 5 HOH 11 2011 2011 HOH HOH B . AA 5 HOH 12 2012 2012 HOH HOH B . AA 5 HOH 13 2013 2013 HOH HOH B . AA 5 HOH 14 2014 2014 HOH HOH B . AA 5 HOH 15 2015 2015 HOH HOH B . AA 5 HOH 16 2016 2016 HOH HOH B . AA 5 HOH 17 2017 2017 HOH HOH B . AA 5 HOH 18 2018 2018 HOH HOH B . AA 5 HOH 19 2019 2019 HOH HOH B . AA 5 HOH 20 2020 2020 HOH HOH B . AA 5 HOH 21 2021 2021 HOH HOH B . AA 5 HOH 22 2022 2022 HOH HOH B . AA 5 HOH 23 2023 2023 HOH HOH B . AA 5 HOH 24 2024 2024 HOH HOH B . AA 5 HOH 25 2025 2025 HOH HOH B . AA 5 HOH 26 2026 2026 HOH HOH B . AA 5 HOH 27 2027 2027 HOH HOH B . AA 5 HOH 28 2028 2028 HOH HOH B . AA 5 HOH 29 2029 2029 HOH HOH B . AA 5 HOH 30 2030 2030 HOH HOH B . AA 5 HOH 31 2031 2031 HOH HOH B . AA 5 HOH 32 2032 2032 HOH HOH B . AA 5 HOH 33 2033 2033 HOH HOH B . AA 5 HOH 34 2034 2034 HOH HOH B . AA 5 HOH 35 2035 2035 HOH HOH B . AA 5 HOH 36 2036 2036 HOH HOH B . AA 5 HOH 37 2037 2037 HOH HOH B . AA 5 HOH 38 2038 2038 HOH HOH B . AA 5 HOH 39 2039 2039 HOH HOH B . AA 5 HOH 40 2040 2040 HOH HOH B . AA 5 HOH 41 2041 2041 HOH HOH B . AA 5 HOH 42 2042 2042 HOH HOH B . AA 5 HOH 43 2043 2043 HOH HOH B . AA 5 HOH 44 2044 2044 HOH HOH B . AA 5 HOH 45 2045 2045 HOH HOH B . AA 5 HOH 46 2046 2046 HOH HOH B . AA 5 HOH 47 2047 2047 HOH HOH B . AA 5 HOH 48 2048 2048 HOH HOH B . AA 5 HOH 49 2049 2049 HOH HOH B . AA 5 HOH 50 2050 2050 HOH HOH B . AA 5 HOH 51 2051 2051 HOH HOH B . AA 5 HOH 52 2052 2052 HOH HOH B . AA 5 HOH 53 2053 2053 HOH HOH B . AA 5 HOH 54 2054 2054 HOH HOH B . AA 5 HOH 55 2055 2055 HOH HOH B . AA 5 HOH 56 2056 2056 HOH HOH B . AA 5 HOH 57 2057 2057 HOH HOH B . AA 5 HOH 58 2058 2058 HOH HOH B . AA 5 HOH 59 2059 2059 HOH HOH B . AA 5 HOH 60 2060 2060 HOH HOH B . AA 5 HOH 61 2061 2061 HOH HOH B . AA 5 HOH 62 2062 2062 HOH HOH B . AA 5 HOH 63 2063 2063 HOH HOH B . AA 5 HOH 64 2064 2064 HOH HOH B . AA 5 HOH 65 2065 2065 HOH HOH B . AA 5 HOH 66 2066 2066 HOH HOH B . AA 5 HOH 67 2067 2067 HOH HOH B . AA 5 HOH 68 2068 2068 HOH HOH B . AA 5 HOH 69 2069 2069 HOH HOH B . AA 5 HOH 70 2070 2070 HOH HOH B . AA 5 HOH 71 2071 2071 HOH HOH B . AA 5 HOH 72 2072 2072 HOH HOH B . AA 5 HOH 73 2073 2073 HOH HOH B . AA 5 HOH 74 2074 2074 HOH HOH B . AA 5 HOH 75 2075 2075 HOH HOH B . AA 5 HOH 76 2076 2076 HOH HOH B . AA 5 HOH 77 2077 2077 HOH HOH B . AA 5 HOH 78 2078 2078 HOH HOH B . AA 5 HOH 79 2079 2079 HOH HOH B . AA 5 HOH 80 2080 2080 HOH HOH B . AA 5 HOH 81 2081 2081 HOH HOH B . AA 5 HOH 82 2082 2082 HOH HOH B . AA 5 HOH 83 2083 2083 HOH HOH B . AA 5 HOH 84 2084 2084 HOH HOH B . AA 5 HOH 85 2085 2085 HOH HOH B . AA 5 HOH 86 2086 2086 HOH HOH B . AA 5 HOH 87 2087 2087 HOH HOH B . AA 5 HOH 88 2088 2088 HOH HOH B . AA 5 HOH 89 2089 2089 HOH HOH B . AA 5 HOH 90 2090 2090 HOH HOH B . AA 5 HOH 91 2091 2091 HOH HOH B . AA 5 HOH 92 2092 2092 HOH HOH B . AA 5 HOH 93 2093 2093 HOH HOH B . AA 5 HOH 94 2094 2094 HOH HOH B . AA 5 HOH 95 2095 2095 HOH HOH B . AA 5 HOH 96 2096 2096 HOH HOH B . AA 5 HOH 97 2097 2097 HOH HOH B . AA 5 HOH 98 2098 2098 HOH HOH B . AA 5 HOH 99 2099 2099 HOH HOH B . AA 5 HOH 100 2100 2100 HOH HOH B . AA 5 HOH 101 2101 2101 HOH HOH B . AA 5 HOH 102 2102 2102 HOH HOH B . AA 5 HOH 103 2103 2103 HOH HOH B . AA 5 HOH 104 2104 2104 HOH HOH B . AA 5 HOH 105 2105 2105 HOH HOH B . AA 5 HOH 106 2106 2106 HOH HOH B . AA 5 HOH 107 2107 2107 HOH HOH B . AA 5 HOH 108 2108 2108 HOH HOH B . AA 5 HOH 109 2109 2109 HOH HOH B . AA 5 HOH 110 2110 2110 HOH HOH B . AA 5 HOH 111 2111 2111 HOH HOH B . AA 5 HOH 112 2112 2112 HOH HOH B . AA 5 HOH 113 2113 2113 HOH HOH B . AA 5 HOH 114 2114 2114 HOH HOH B . AA 5 HOH 115 2115 2115 HOH HOH B . AA 5 HOH 116 2116 2116 HOH HOH B . AA 5 HOH 117 2117 2117 HOH HOH B . AA 5 HOH 118 2118 2118 HOH HOH B . AA 5 HOH 119 2119 2119 HOH HOH B . AA 5 HOH 120 2120 2120 HOH HOH B . AA 5 HOH 121 2121 2121 HOH HOH B . AA 5 HOH 122 2122 2122 HOH HOH B . AA 5 HOH 123 2123 2123 HOH HOH B . AA 5 HOH 124 2124 2124 HOH HOH B . AA 5 HOH 125 2125 2125 HOH HOH B . AA 5 HOH 126 2126 2126 HOH HOH B . AA 5 HOH 127 2127 2127 HOH HOH B . AA 5 HOH 128 2128 2128 HOH HOH B . AA 5 HOH 129 2129 2129 HOH HOH B . AA 5 HOH 130 2130 2130 HOH HOH B . AA 5 HOH 131 2131 2131 HOH HOH B . AA 5 HOH 132 2132 2132 HOH HOH B . AA 5 HOH 133 2133 2133 HOH HOH B . AA 5 HOH 134 2134 2134 HOH HOH B . AA 5 HOH 135 2135 2135 HOH HOH B . AA 5 HOH 136 2136 2136 HOH HOH B . AA 5 HOH 137 2137 2137 HOH HOH B . AA 5 HOH 138 2138 2138 HOH HOH B . AA 5 HOH 139 2139 2139 HOH HOH B . AA 5 HOH 140 2140 2140 HOH HOH B . AA 5 HOH 141 2141 2141 HOH HOH B . AA 5 HOH 142 2142 2142 HOH HOH B . AA 5 HOH 143 2143 2143 HOH HOH B . AA 5 HOH 144 2144 2144 HOH HOH B . AA 5 HOH 145 2145 2145 HOH HOH B . AA 5 HOH 146 2146 2146 HOH HOH B . AA 5 HOH 147 2147 2147 HOH HOH B . AA 5 HOH 148 2148 2148 HOH HOH B . AA 5 HOH 149 2149 2149 HOH HOH B . AA 5 HOH 150 2150 2150 HOH HOH B . AA 5 HOH 151 2151 2151 HOH HOH B . AA 5 HOH 152 2152 2152 HOH HOH B . AA 5 HOH 153 2153 2153 HOH HOH B . AA 5 HOH 154 2154 2154 HOH HOH B . AA 5 HOH 155 2155 2155 HOH HOH B . AA 5 HOH 156 2156 2156 HOH HOH B . AA 5 HOH 157 2157 2157 HOH HOH B . AA 5 HOH 158 2158 2158 HOH HOH B . AA 5 HOH 159 2159 2159 HOH HOH B . AA 5 HOH 160 2160 2160 HOH HOH B . AA 5 HOH 161 2161 2161 HOH HOH B . AA 5 HOH 162 2162 2162 HOH HOH B . AA 5 HOH 163 2163 2163 HOH HOH B . AA 5 HOH 164 2164 2164 HOH HOH B . AA 5 HOH 165 2165 2165 HOH HOH B . AA 5 HOH 166 2166 2166 HOH HOH B . AA 5 HOH 167 2167 2167 HOH HOH B . AA 5 HOH 168 2168 2168 HOH HOH B . AA 5 HOH 169 2169 2169 HOH HOH B . AA 5 HOH 170 2170 2170 HOH HOH B . AA 5 HOH 171 2171 2171 HOH HOH B . AA 5 HOH 172 2172 2172 HOH HOH B . AA 5 HOH 173 2173 2173 HOH HOH B . AA 5 HOH 174 2174 2174 HOH HOH B . AA 5 HOH 175 2175 2175 HOH HOH B . AA 5 HOH 176 2176 2176 HOH HOH B . AA 5 HOH 177 2177 2177 HOH HOH B . AA 5 HOH 178 2178 2178 HOH HOH B . AA 5 HOH 179 2179 2179 HOH HOH B . AA 5 HOH 180 2180 2180 HOH HOH B . AA 5 HOH 181 2181 2181 HOH HOH B . AA 5 HOH 182 2182 2182 HOH HOH B . AA 5 HOH 183 2183 2183 HOH HOH B . AA 5 HOH 184 2184 2184 HOH HOH B . AA 5 HOH 185 2185 2185 HOH HOH B . AA 5 HOH 186 2186 2186 HOH HOH B . AA 5 HOH 187 2187 2187 HOH HOH B . AA 5 HOH 188 2188 2188 HOH HOH B . AA 5 HOH 189 2189 2189 HOH HOH B . AA 5 HOH 190 2190 2190 HOH HOH B . AA 5 HOH 191 2191 2191 HOH HOH B . AA 5 HOH 192 2192 2192 HOH HOH B . AA 5 HOH 193 2193 2193 HOH HOH B . AA 5 HOH 194 2194 2194 HOH HOH B . AA 5 HOH 195 2195 2195 HOH HOH B . AA 5 HOH 196 2196 2196 HOH HOH B . AA 5 HOH 197 2197 2197 HOH HOH B . AA 5 HOH 198 2198 2198 HOH HOH B . AA 5 HOH 199 2199 2199 HOH HOH B . AA 5 HOH 200 2200 2200 HOH HOH B . AA 5 HOH 201 2201 2201 HOH HOH B . AA 5 HOH 202 2202 2202 HOH HOH B . AA 5 HOH 203 2203 2203 HOH HOH B . AA 5 HOH 204 2204 2204 HOH HOH B . AA 5 HOH 205 2205 2205 HOH HOH B . AA 5 HOH 206 2206 2206 HOH HOH B . AA 5 HOH 207 2207 2207 HOH HOH B . AA 5 HOH 208 2208 2208 HOH HOH B . AA 5 HOH 209 2209 2209 HOH HOH B . AA 5 HOH 210 2210 2210 HOH HOH B . AA 5 HOH 211 2211 2211 HOH HOH B . AA 5 HOH 212 2212 2212 HOH HOH B . AA 5 HOH 213 2213 2213 HOH HOH B . AA 5 HOH 214 2214 2214 HOH HOH B . AA 5 HOH 215 2215 2215 HOH HOH B . AA 5 HOH 216 2216 2216 HOH HOH B . AA 5 HOH 217 2217 2217 HOH HOH B . AA 5 HOH 218 2218 2218 HOH HOH B . AA 5 HOH 219 2219 2219 HOH HOH B . AA 5 HOH 220 2220 2220 HOH HOH B . AA 5 HOH 221 2221 2221 HOH HOH B . AA 5 HOH 222 2222 2222 HOH HOH B . AA 5 HOH 223 2223 2223 HOH HOH B . AA 5 HOH 224 2224 2224 HOH HOH B . AA 5 HOH 225 2225 2225 HOH HOH B . AA 5 HOH 226 2226 2226 HOH HOH B . AA 5 HOH 227 2227 2227 HOH HOH B . AA 5 HOH 228 2228 2228 HOH HOH B . AA 5 HOH 229 2229 2229 HOH HOH B . AA 5 HOH 230 2230 2230 HOH HOH B . AA 5 HOH 231 2231 2231 HOH HOH B . AA 5 HOH 232 2232 2232 HOH HOH B . AA 5 HOH 233 2233 2233 HOH HOH B . AA 5 HOH 234 2234 2234 HOH HOH B . AA 5 HOH 235 2235 2235 HOH HOH B . AA 5 HOH 236 2236 2236 HOH HOH B . AA 5 HOH 237 2237 2237 HOH HOH B . AA 5 HOH 238 2238 2238 HOH HOH B . AA 5 HOH 239 2239 2239 HOH HOH B . AA 5 HOH 240 2240 2240 HOH HOH B . AA 5 HOH 241 2241 2241 HOH HOH B . AA 5 HOH 242 2242 2242 HOH HOH B . AA 5 HOH 243 2243 2243 HOH HOH B . AA 5 HOH 244 2244 2244 HOH HOH B . AA 5 HOH 245 2245 2245 HOH HOH B . AA 5 HOH 246 2246 2246 HOH HOH B . AA 5 HOH 247 2247 2247 HOH HOH B . AA 5 HOH 248 2248 2248 HOH HOH B . BA 5 HOH 1 2001 2001 HOH HOH C . BA 5 HOH 2 2002 2002 HOH HOH C . BA 5 HOH 3 2003 2003 HOH HOH C . BA 5 HOH 4 2004 2004 HOH HOH C . BA 5 HOH 5 2005 2005 HOH HOH C . BA 5 HOH 6 2006 2006 HOH HOH C . BA 5 HOH 7 2007 2007 HOH HOH C . BA 5 HOH 8 2008 2008 HOH HOH C . BA 5 HOH 9 2009 2009 HOH HOH C . BA 5 HOH 10 2010 2010 HOH HOH C . BA 5 HOH 11 2011 2011 HOH HOH C . BA 5 HOH 12 2012 2012 HOH HOH C . BA 5 HOH 13 2013 2013 HOH HOH C . BA 5 HOH 14 2014 2014 HOH HOH C . BA 5 HOH 15 2015 2015 HOH HOH C . BA 5 HOH 16 2016 2016 HOH HOH C . BA 5 HOH 17 2017 2017 HOH HOH C . BA 5 HOH 18 2018 2018 HOH HOH C . BA 5 HOH 19 2019 2019 HOH HOH C . BA 5 HOH 20 2020 2020 HOH HOH C . BA 5 HOH 21 2021 2021 HOH HOH C . BA 5 HOH 22 2022 2022 HOH HOH C . BA 5 HOH 23 2023 2023 HOH HOH C . BA 5 HOH 24 2024 2024 HOH HOH C . BA 5 HOH 25 2025 2025 HOH HOH C . BA 5 HOH 26 2026 2026 HOH HOH C . BA 5 HOH 27 2027 2027 HOH HOH C . BA 5 HOH 28 2028 2028 HOH HOH C . BA 5 HOH 29 2029 2029 HOH HOH C . BA 5 HOH 30 2030 2030 HOH HOH C . BA 5 HOH 31 2031 2031 HOH HOH C . BA 5 HOH 32 2032 2032 HOH HOH C . BA 5 HOH 33 2033 2033 HOH HOH C . BA 5 HOH 34 2034 2034 HOH HOH C . BA 5 HOH 35 2035 2035 HOH HOH C . BA 5 HOH 36 2036 2036 HOH HOH C . BA 5 HOH 37 2037 2037 HOH HOH C . BA 5 HOH 38 2038 2038 HOH HOH C . BA 5 HOH 39 2039 2039 HOH HOH C . BA 5 HOH 40 2040 2040 HOH HOH C . BA 5 HOH 41 2041 2041 HOH HOH C . BA 5 HOH 42 2042 2042 HOH HOH C . BA 5 HOH 43 2043 2043 HOH HOH C . BA 5 HOH 44 2044 2044 HOH HOH C . BA 5 HOH 45 2045 2045 HOH HOH C . BA 5 HOH 46 2046 2046 HOH HOH C . BA 5 HOH 47 2047 2047 HOH HOH C . BA 5 HOH 48 2048 2048 HOH HOH C . BA 5 HOH 49 2049 2049 HOH HOH C . BA 5 HOH 50 2050 2050 HOH HOH C . BA 5 HOH 51 2051 2051 HOH HOH C . BA 5 HOH 52 2052 2052 HOH HOH C . BA 5 HOH 53 2053 2053 HOH HOH C . BA 5 HOH 54 2054 2054 HOH HOH C . BA 5 HOH 55 2055 2055 HOH HOH C . BA 5 HOH 56 2056 2056 HOH HOH C . BA 5 HOH 57 2057 2057 HOH HOH C . BA 5 HOH 58 2058 2058 HOH HOH C . BA 5 HOH 59 2059 2059 HOH HOH C . BA 5 HOH 60 2060 2060 HOH HOH C . BA 5 HOH 61 2061 2061 HOH HOH C . BA 5 HOH 62 2062 2062 HOH HOH C . BA 5 HOH 63 2063 2063 HOH HOH C . BA 5 HOH 64 2064 2064 HOH HOH C . BA 5 HOH 65 2065 2065 HOH HOH C . BA 5 HOH 66 2066 2066 HOH HOH C . BA 5 HOH 67 2067 2067 HOH HOH C . BA 5 HOH 68 2068 2068 HOH HOH C . BA 5 HOH 69 2069 2069 HOH HOH C . BA 5 HOH 70 2070 2070 HOH HOH C . BA 5 HOH 71 2071 2071 HOH HOH C . BA 5 HOH 72 2072 2072 HOH HOH C . BA 5 HOH 73 2073 2073 HOH HOH C . BA 5 HOH 74 2074 2074 HOH HOH C . BA 5 HOH 75 2075 2075 HOH HOH C . BA 5 HOH 76 2076 2076 HOH HOH C . BA 5 HOH 77 2077 2077 HOH HOH C . BA 5 HOH 78 2078 2078 HOH HOH C . BA 5 HOH 79 2079 2079 HOH HOH C . BA 5 HOH 80 2080 2080 HOH HOH C . BA 5 HOH 81 2081 2081 HOH HOH C . BA 5 HOH 82 2082 2082 HOH HOH C . BA 5 HOH 83 2083 2083 HOH HOH C . BA 5 HOH 84 2084 2084 HOH HOH C . BA 5 HOH 85 2085 2085 HOH HOH C . BA 5 HOH 86 2086 2086 HOH HOH C . BA 5 HOH 87 2087 2087 HOH HOH C . BA 5 HOH 88 2088 2088 HOH HOH C . BA 5 HOH 89 2089 2089 HOH HOH C . BA 5 HOH 90 2090 2090 HOH HOH C . BA 5 HOH 91 2091 2091 HOH HOH C . BA 5 HOH 92 2092 2092 HOH HOH C . BA 5 HOH 93 2093 2093 HOH HOH C . BA 5 HOH 94 2094 2094 HOH HOH C . BA 5 HOH 95 2095 2095 HOH HOH C . BA 5 HOH 96 2096 2096 HOH HOH C . BA 5 HOH 97 2097 2097 HOH HOH C . BA 5 HOH 98 2098 2098 HOH HOH C . BA 5 HOH 99 2099 2099 HOH HOH C . BA 5 HOH 100 2100 2100 HOH HOH C . BA 5 HOH 101 2101 2101 HOH HOH C . BA 5 HOH 102 2102 2102 HOH HOH C . BA 5 HOH 103 2103 2103 HOH HOH C . BA 5 HOH 104 2104 2104 HOH HOH C . BA 5 HOH 105 2105 2105 HOH HOH C . BA 5 HOH 106 2106 2106 HOH HOH C . BA 5 HOH 107 2107 2107 HOH HOH C . BA 5 HOH 108 2108 2108 HOH HOH C . BA 5 HOH 109 2109 2109 HOH HOH C . BA 5 HOH 110 2110 2110 HOH HOH C . BA 5 HOH 111 2111 2111 HOH HOH C . BA 5 HOH 112 2112 2112 HOH HOH C . BA 5 HOH 113 2113 2113 HOH HOH C . BA 5 HOH 114 2114 2114 HOH HOH C . BA 5 HOH 115 2115 2115 HOH HOH C . BA 5 HOH 116 2116 2116 HOH HOH C . BA 5 HOH 117 2117 2117 HOH HOH C . BA 5 HOH 118 2118 2118 HOH HOH C . BA 5 HOH 119 2119 2119 HOH HOH C . BA 5 HOH 120 2120 2120 HOH HOH C . BA 5 HOH 121 2121 2121 HOH HOH C . BA 5 HOH 122 2122 2122 HOH HOH C . BA 5 HOH 123 2123 2123 HOH HOH C . BA 5 HOH 124 2124 2124 HOH HOH C . BA 5 HOH 125 2125 2125 HOH HOH C . BA 5 HOH 126 2126 2126 HOH HOH C . BA 5 HOH 127 2127 2127 HOH HOH C . BA 5 HOH 128 2128 2128 HOH HOH C . BA 5 HOH 129 2129 2129 HOH HOH C . BA 5 HOH 130 2130 2130 HOH HOH C . BA 5 HOH 131 2131 2131 HOH HOH C . BA 5 HOH 132 2132 2132 HOH HOH C . BA 5 HOH 133 2133 2133 HOH HOH C . BA 5 HOH 134 2134 2134 HOH HOH C . BA 5 HOH 135 2135 2135 HOH HOH C . BA 5 HOH 136 2136 2136 HOH HOH C . BA 5 HOH 137 2137 2137 HOH HOH C . BA 5 HOH 138 2138 2138 HOH HOH C . BA 5 HOH 139 2139 2139 HOH HOH C . BA 5 HOH 140 2140 2140 HOH HOH C . BA 5 HOH 141 2141 2141 HOH HOH C . BA 5 HOH 142 2142 2142 HOH HOH C . BA 5 HOH 143 2143 2143 HOH HOH C . BA 5 HOH 144 2144 2144 HOH HOH C . BA 5 HOH 145 2145 2145 HOH HOH C . BA 5 HOH 146 2146 2146 HOH HOH C . BA 5 HOH 147 2147 2147 HOH HOH C . BA 5 HOH 148 2148 2148 HOH HOH C . BA 5 HOH 149 2149 2149 HOH HOH C . BA 5 HOH 150 2150 2150 HOH HOH C . BA 5 HOH 151 2151 2151 HOH HOH C . BA 5 HOH 152 2152 2152 HOH HOH C . BA 5 HOH 153 2153 2153 HOH HOH C . BA 5 HOH 154 2154 2154 HOH HOH C . BA 5 HOH 155 2155 2155 HOH HOH C . BA 5 HOH 156 2156 2156 HOH HOH C . BA 5 HOH 157 2157 2157 HOH HOH C . BA 5 HOH 158 2158 2158 HOH HOH C . BA 5 HOH 159 2159 2159 HOH HOH C . BA 5 HOH 160 2160 2160 HOH HOH C . BA 5 HOH 161 2161 2161 HOH HOH C . BA 5 HOH 162 2162 2162 HOH HOH C . BA 5 HOH 163 2163 2163 HOH HOH C . BA 5 HOH 164 2164 2164 HOH HOH C . BA 5 HOH 165 2165 2165 HOH HOH C . BA 5 HOH 166 2166 2166 HOH HOH C . BA 5 HOH 167 2167 2167 HOH HOH C . BA 5 HOH 168 2168 2168 HOH HOH C . BA 5 HOH 169 2169 2169 HOH HOH C . BA 5 HOH 170 2170 2170 HOH HOH C . BA 5 HOH 171 2171 2171 HOH HOH C . BA 5 HOH 172 2172 2172 HOH HOH C . BA 5 HOH 173 2173 2173 HOH HOH C . BA 5 HOH 174 2174 2174 HOH HOH C . BA 5 HOH 175 2175 2175 HOH HOH C . BA 5 HOH 176 2176 2176 HOH HOH C . BA 5 HOH 177 2177 2177 HOH HOH C . BA 5 HOH 178 2178 2178 HOH HOH C . BA 5 HOH 179 2179 2179 HOH HOH C . BA 5 HOH 180 2180 2180 HOH HOH C . BA 5 HOH 181 2181 2181 HOH HOH C . BA 5 HOH 182 2182 2182 HOH HOH C . BA 5 HOH 183 2183 2183 HOH HOH C . BA 5 HOH 184 2184 2184 HOH HOH C . BA 5 HOH 185 2185 2185 HOH HOH C . BA 5 HOH 186 2186 2186 HOH HOH C . BA 5 HOH 187 2187 2187 HOH HOH C . BA 5 HOH 188 2188 2188 HOH HOH C . BA 5 HOH 189 2189 2189 HOH HOH C . BA 5 HOH 190 2190 2190 HOH HOH C . BA 5 HOH 191 2191 2191 HOH HOH C . BA 5 HOH 192 2192 2192 HOH HOH C . BA 5 HOH 193 2193 2193 HOH HOH C . BA 5 HOH 194 2194 2194 HOH HOH C . BA 5 HOH 195 2195 2195 HOH HOH C . BA 5 HOH 196 2196 2196 HOH HOH C . BA 5 HOH 197 2197 2197 HOH HOH C . BA 5 HOH 198 2198 2198 HOH HOH C . BA 5 HOH 199 2199 2199 HOH HOH C . BA 5 HOH 200 2200 2200 HOH HOH C . BA 5 HOH 201 2201 2201 HOH HOH C . BA 5 HOH 202 2202 2202 HOH HOH C . BA 5 HOH 203 2203 2203 HOH HOH C . BA 5 HOH 204 2204 2204 HOH HOH C . BA 5 HOH 205 2205 2205 HOH HOH C . BA 5 HOH 206 2206 2206 HOH HOH C . BA 5 HOH 207 2207 2207 HOH HOH C . BA 5 HOH 208 2208 2208 HOH HOH C . BA 5 HOH 209 2209 2209 HOH HOH C . BA 5 HOH 210 2210 2210 HOH HOH C . BA 5 HOH 211 2211 2211 HOH HOH C . BA 5 HOH 212 2212 2212 HOH HOH C . BA 5 HOH 213 2213 2213 HOH HOH C . BA 5 HOH 214 2214 2214 HOH HOH C . BA 5 HOH 215 2215 2215 HOH HOH C . BA 5 HOH 216 2216 2216 HOH HOH C . BA 5 HOH 217 2217 2217 HOH HOH C . BA 5 HOH 218 2218 2218 HOH HOH C . BA 5 HOH 219 2219 2219 HOH HOH C . BA 5 HOH 220 2220 2220 HOH HOH C . BA 5 HOH 221 2221 2221 HOH HOH C . BA 5 HOH 222 2222 2222 HOH HOH C . BA 5 HOH 223 2223 2223 HOH HOH C . BA 5 HOH 224 2224 2224 HOH HOH C . BA 5 HOH 225 2225 2225 HOH HOH C . BA 5 HOH 226 2226 2226 HOH HOH C . BA 5 HOH 227 2227 2227 HOH HOH C . BA 5 HOH 228 2228 2228 HOH HOH C . BA 5 HOH 229 2229 2229 HOH HOH C . BA 5 HOH 230 2230 2230 HOH HOH C . BA 5 HOH 231 2231 2231 HOH HOH C . BA 5 HOH 232 2232 2232 HOH HOH C . BA 5 HOH 233 2233 2233 HOH HOH C . BA 5 HOH 234 2234 2234 HOH HOH C . BA 5 HOH 235 2235 2235 HOH HOH C . BA 5 HOH 236 2236 2236 HOH HOH C . BA 5 HOH 237 2237 2237 HOH HOH C . BA 5 HOH 238 2238 2238 HOH HOH C . BA 5 HOH 239 2239 2239 HOH HOH C . BA 5 HOH 240 2240 2240 HOH HOH C . BA 5 HOH 241 2241 2241 HOH HOH C . BA 5 HOH 242 2242 2242 HOH HOH C . BA 5 HOH 243 2243 2243 HOH HOH C . BA 5 HOH 244 2244 2244 HOH HOH C . BA 5 HOH 245 2245 2245 HOH HOH C . BA 5 HOH 246 2246 2246 HOH HOH C . BA 5 HOH 247 2247 2247 HOH HOH C . BA 5 HOH 248 2248 2248 HOH HOH C . BA 5 HOH 249 2249 2249 HOH HOH C . BA 5 HOH 250 2250 2250 HOH HOH C . BA 5 HOH 251 2251 2251 HOH HOH C . BA 5 HOH 252 2252 2252 HOH HOH C . BA 5 HOH 253 2253 2253 HOH HOH C . BA 5 HOH 254 2254 2254 HOH HOH C . BA 5 HOH 255 2255 2255 HOH HOH C . BA 5 HOH 256 2256 2256 HOH HOH C . BA 5 HOH 257 2257 2257 HOH HOH C . BA 5 HOH 258 2258 2258 HOH HOH C . BA 5 HOH 259 2259 2259 HOH HOH C . BA 5 HOH 260 2260 2260 HOH HOH C . BA 5 HOH 261 2261 2261 HOH HOH C . BA 5 HOH 262 2262 2262 HOH HOH C . BA 5 HOH 263 2263 2263 HOH HOH C . CA 5 HOH 1 2001 2001 HOH HOH D . CA 5 HOH 2 2002 2002 HOH HOH D . CA 5 HOH 3 2003 2003 HOH HOH D . CA 5 HOH 4 2004 2004 HOH HOH D . CA 5 HOH 5 2005 2005 HOH HOH D . CA 5 HOH 6 2006 2006 HOH HOH D . CA 5 HOH 7 2007 2007 HOH HOH D . CA 5 HOH 8 2008 2008 HOH HOH D . CA 5 HOH 9 2009 2009 HOH HOH D . CA 5 HOH 10 2010 2010 HOH HOH D . CA 5 HOH 11 2011 2011 HOH HOH D . CA 5 HOH 12 2012 2012 HOH HOH D . CA 5 HOH 13 2013 2013 HOH HOH D . CA 5 HOH 14 2014 2014 HOH HOH D . CA 5 HOH 15 2015 2015 HOH HOH D . CA 5 HOH 16 2016 2016 HOH HOH D . CA 5 HOH 17 2017 2017 HOH HOH D . CA 5 HOH 18 2018 2018 HOH HOH D . CA 5 HOH 19 2019 2019 HOH HOH D . CA 5 HOH 20 2020 2020 HOH HOH D . CA 5 HOH 21 2021 2021 HOH HOH D . CA 5 HOH 22 2022 2022 HOH HOH D . CA 5 HOH 23 2023 2023 HOH HOH D . CA 5 HOH 24 2024 2024 HOH HOH D . CA 5 HOH 25 2025 2025 HOH HOH D . CA 5 HOH 26 2026 2026 HOH HOH D . CA 5 HOH 27 2027 2027 HOH HOH D . CA 5 HOH 28 2028 2028 HOH HOH D . CA 5 HOH 29 2029 2029 HOH HOH D . CA 5 HOH 30 2030 2030 HOH HOH D . CA 5 HOH 31 2031 2031 HOH HOH D . CA 5 HOH 32 2032 2032 HOH HOH D . CA 5 HOH 33 2033 2033 HOH HOH D . CA 5 HOH 34 2034 2034 HOH HOH D . CA 5 HOH 35 2035 2035 HOH HOH D . CA 5 HOH 36 2036 2036 HOH HOH D . CA 5 HOH 37 2037 2037 HOH HOH D . CA 5 HOH 38 2038 2038 HOH HOH D . CA 5 HOH 39 2039 2039 HOH HOH D . CA 5 HOH 40 2040 2040 HOH HOH D . CA 5 HOH 41 2041 2041 HOH HOH D . CA 5 HOH 42 2042 2042 HOH HOH D . CA 5 HOH 43 2043 2043 HOH HOH D . CA 5 HOH 44 2044 2044 HOH HOH D . CA 5 HOH 45 2045 2045 HOH HOH D . CA 5 HOH 46 2046 2046 HOH HOH D . CA 5 HOH 47 2047 2047 HOH HOH D . CA 5 HOH 48 2048 2048 HOH HOH D . CA 5 HOH 49 2049 2049 HOH HOH D . CA 5 HOH 50 2050 2050 HOH HOH D . CA 5 HOH 51 2051 2051 HOH HOH D . CA 5 HOH 52 2052 2052 HOH HOH D . CA 5 HOH 53 2053 2053 HOH HOH D . CA 5 HOH 54 2054 2054 HOH HOH D . CA 5 HOH 55 2055 2055 HOH HOH D . CA 5 HOH 56 2056 2056 HOH HOH D . CA 5 HOH 57 2057 2057 HOH HOH D . CA 5 HOH 58 2058 2058 HOH HOH D . CA 5 HOH 59 2059 2059 HOH HOH D . CA 5 HOH 60 2060 2060 HOH HOH D . CA 5 HOH 61 2061 2061 HOH HOH D . CA 5 HOH 62 2062 2062 HOH HOH D . CA 5 HOH 63 2063 2063 HOH HOH D . CA 5 HOH 64 2064 2064 HOH HOH D . CA 5 HOH 65 2065 2065 HOH HOH D . CA 5 HOH 66 2066 2066 HOH HOH D . CA 5 HOH 67 2067 2067 HOH HOH D . CA 5 HOH 68 2068 2068 HOH HOH D . CA 5 HOH 69 2069 2069 HOH HOH D . CA 5 HOH 70 2070 2070 HOH HOH D . CA 5 HOH 71 2071 2071 HOH HOH D . CA 5 HOH 72 2072 2072 HOH HOH D . CA 5 HOH 73 2073 2073 HOH HOH D . CA 5 HOH 74 2074 2074 HOH HOH D . CA 5 HOH 75 2075 2075 HOH HOH D . CA 5 HOH 76 2076 2076 HOH HOH D . CA 5 HOH 77 2077 2077 HOH HOH D . CA 5 HOH 78 2078 2078 HOH HOH D . CA 5 HOH 79 2079 2079 HOH HOH D . CA 5 HOH 80 2080 2080 HOH HOH D . CA 5 HOH 81 2081 2081 HOH HOH D . CA 5 HOH 82 2082 2082 HOH HOH D . CA 5 HOH 83 2083 2083 HOH HOH D . CA 5 HOH 84 2084 2084 HOH HOH D . CA 5 HOH 85 2085 2085 HOH HOH D . CA 5 HOH 86 2086 2086 HOH HOH D . CA 5 HOH 87 2087 2087 HOH HOH D . CA 5 HOH 88 2088 2088 HOH HOH D . CA 5 HOH 89 2089 2089 HOH HOH D . CA 5 HOH 90 2090 2090 HOH HOH D . CA 5 HOH 91 2091 2091 HOH HOH D . CA 5 HOH 92 2092 2092 HOH HOH D . CA 5 HOH 93 2093 2093 HOH HOH D . CA 5 HOH 94 2094 2094 HOH HOH D . CA 5 HOH 95 2095 2095 HOH HOH D . CA 5 HOH 96 2096 2096 HOH HOH D . CA 5 HOH 97 2097 2097 HOH HOH D . CA 5 HOH 98 2098 2098 HOH HOH D . CA 5 HOH 99 2099 2099 HOH HOH D . CA 5 HOH 100 2100 2100 HOH HOH D . CA 5 HOH 101 2101 2101 HOH HOH D . CA 5 HOH 102 2102 2102 HOH HOH D . CA 5 HOH 103 2103 2103 HOH HOH D . CA 5 HOH 104 2104 2104 HOH HOH D . CA 5 HOH 105 2105 2105 HOH HOH D . CA 5 HOH 106 2106 2106 HOH HOH D . CA 5 HOH 107 2107 2107 HOH HOH D . CA 5 HOH 108 2108 2108 HOH HOH D . CA 5 HOH 109 2109 2109 HOH HOH D . CA 5 HOH 110 2110 2110 HOH HOH D . CA 5 HOH 111 2111 2111 HOH HOH D . CA 5 HOH 112 2112 2112 HOH HOH D . CA 5 HOH 113 2113 2113 HOH HOH D . CA 5 HOH 114 2114 2114 HOH HOH D . CA 5 HOH 115 2115 2115 HOH HOH D . CA 5 HOH 116 2116 2116 HOH HOH D . CA 5 HOH 117 2117 2117 HOH HOH D . CA 5 HOH 118 2118 2118 HOH HOH D . CA 5 HOH 119 2119 2119 HOH HOH D . CA 5 HOH 120 2120 2120 HOH HOH D . CA 5 HOH 121 2121 2121 HOH HOH D . CA 5 HOH 122 2122 2122 HOH HOH D . CA 5 HOH 123 2123 2123 HOH HOH D . CA 5 HOH 124 2124 2124 HOH HOH D . CA 5 HOH 125 2125 2125 HOH HOH D . CA 5 HOH 126 2126 2126 HOH HOH D . CA 5 HOH 127 2127 2127 HOH HOH D . CA 5 HOH 128 2128 2128 HOH HOH D . CA 5 HOH 129 2129 2129 HOH HOH D . CA 5 HOH 130 2130 2130 HOH HOH D . CA 5 HOH 131 2131 2131 HOH HOH D . CA 5 HOH 132 2132 2132 HOH HOH D . CA 5 HOH 133 2133 2133 HOH HOH D . CA 5 HOH 134 2134 2134 HOH HOH D . CA 5 HOH 135 2135 2135 HOH HOH D . CA 5 HOH 136 2136 2136 HOH HOH D . CA 5 HOH 137 2137 2137 HOH HOH D . CA 5 HOH 138 2138 2138 HOH HOH D . CA 5 HOH 139 2139 2139 HOH HOH D . CA 5 HOH 140 2140 2140 HOH HOH D . CA 5 HOH 141 2141 2141 HOH HOH D . CA 5 HOH 142 2142 2142 HOH HOH D . CA 5 HOH 143 2143 2143 HOH HOH D . CA 5 HOH 144 2144 2144 HOH HOH D . CA 5 HOH 145 2145 2145 HOH HOH D . CA 5 HOH 146 2146 2146 HOH HOH D . CA 5 HOH 147 2147 2147 HOH HOH D . CA 5 HOH 148 2148 2148 HOH HOH D . CA 5 HOH 149 2149 2149 HOH HOH D . CA 5 HOH 150 2150 2150 HOH HOH D . CA 5 HOH 151 2151 2151 HOH HOH D . CA 5 HOH 152 2152 2152 HOH HOH D . CA 5 HOH 153 2153 2153 HOH HOH D . CA 5 HOH 154 2154 2154 HOH HOH D . CA 5 HOH 155 2155 2155 HOH HOH D . CA 5 HOH 156 2156 2156 HOH HOH D . CA 5 HOH 157 2157 2157 HOH HOH D . CA 5 HOH 158 2158 2158 HOH HOH D . CA 5 HOH 159 2159 2159 HOH HOH D . CA 5 HOH 160 2160 2160 HOH HOH D . CA 5 HOH 161 2161 2161 HOH HOH D . CA 5 HOH 162 2162 2162 HOH HOH D . CA 5 HOH 163 2163 2163 HOH HOH D . CA 5 HOH 164 2164 2164 HOH HOH D . CA 5 HOH 165 2165 2165 HOH HOH D . CA 5 HOH 166 2166 2166 HOH HOH D . CA 5 HOH 167 2167 2167 HOH HOH D . CA 5 HOH 168 2168 2168 HOH HOH D . CA 5 HOH 169 2169 2169 HOH HOH D . CA 5 HOH 170 2170 2170 HOH HOH D . CA 5 HOH 171 2171 2171 HOH HOH D . CA 5 HOH 172 2172 2172 HOH HOH D . CA 5 HOH 173 2173 2173 HOH HOH D . CA 5 HOH 174 2174 2174 HOH HOH D . CA 5 HOH 175 2175 2175 HOH HOH D . CA 5 HOH 176 2176 2176 HOH HOH D . CA 5 HOH 177 2177 2177 HOH HOH D . CA 5 HOH 178 2178 2178 HOH HOH D . CA 5 HOH 179 2179 2179 HOH HOH D . CA 5 HOH 180 2180 2180 HOH HOH D . CA 5 HOH 181 2181 2181 HOH HOH D . CA 5 HOH 182 2182 2182 HOH HOH D . CA 5 HOH 183 2183 2183 HOH HOH D . CA 5 HOH 184 2184 2184 HOH HOH D . CA 5 HOH 185 2185 2185 HOH HOH D . CA 5 HOH 186 2186 2186 HOH HOH D . CA 5 HOH 187 2187 2187 HOH HOH D . CA 5 HOH 188 2188 2188 HOH HOH D . CA 5 HOH 189 2189 2189 HOH HOH D . CA 5 HOH 190 2190 2190 HOH HOH D . CA 5 HOH 191 2191 2191 HOH HOH D . CA 5 HOH 192 2192 2192 HOH HOH D . CA 5 HOH 193 2193 2193 HOH HOH D . CA 5 HOH 194 2194 2194 HOH HOH D . CA 5 HOH 195 2195 2195 HOH HOH D . CA 5 HOH 196 2196 2196 HOH HOH D . CA 5 HOH 197 2197 2197 HOH HOH D . CA 5 HOH 198 2198 2198 HOH HOH D . CA 5 HOH 199 2199 2199 HOH HOH D . CA 5 HOH 200 2200 2200 HOH HOH D . CA 5 HOH 201 2201 2201 HOH HOH D . CA 5 HOH 202 2202 2202 HOH HOH D . CA 5 HOH 203 2203 2203 HOH HOH D . CA 5 HOH 204 2204 2204 HOH HOH D . CA 5 HOH 205 2205 2205 HOH HOH D . CA 5 HOH 206 2206 2206 HOH HOH D . CA 5 HOH 207 2207 2207 HOH HOH D . CA 5 HOH 208 2208 2208 HOH HOH D . CA 5 HOH 209 2209 2209 HOH HOH D . CA 5 HOH 210 2210 2210 HOH HOH D . CA 5 HOH 211 2211 2211 HOH HOH D . CA 5 HOH 212 2212 2212 HOH HOH D . CA 5 HOH 213 2213 2213 HOH HOH D . CA 5 HOH 214 2214 2214 HOH HOH D . CA 5 HOH 215 2215 2215 HOH HOH D . CA 5 HOH 216 2216 2216 HOH HOH D . CA 5 HOH 217 2217 2217 HOH HOH D . CA 5 HOH 218 2218 2218 HOH HOH D . CA 5 HOH 219 2219 2219 HOH HOH D . CA 5 HOH 220 2220 2220 HOH HOH D . CA 5 HOH 221 2221 2221 HOH HOH D . CA 5 HOH 222 2222 2222 HOH HOH D . CA 5 HOH 223 2223 2223 HOH HOH D . CA 5 HOH 224 2224 2224 HOH HOH D . CA 5 HOH 225 2225 2225 HOH HOH D . CA 5 HOH 226 2226 2226 HOH HOH D . CA 5 HOH 227 2227 2227 HOH HOH D . CA 5 HOH 228 2228 2228 HOH HOH D . CA 5 HOH 229 2229 2229 HOH HOH D . CA 5 HOH 230 2230 2230 HOH HOH D . CA 5 HOH 231 2231 2231 HOH HOH D . CA 5 HOH 232 2232 2232 HOH HOH D . CA 5 HOH 233 2233 2233 HOH HOH D . CA 5 HOH 234 2234 2234 HOH HOH D . CA 5 HOH 235 2235 2235 HOH HOH D . CA 5 HOH 236 2236 2236 HOH HOH D . CA 5 HOH 237 2237 2237 HOH HOH D . CA 5 HOH 238 2238 2238 HOH HOH D . CA 5 HOH 239 2239 2239 HOH HOH D . CA 5 HOH 240 2240 2240 HOH HOH D . CA 5 HOH 241 2241 2241 HOH HOH D . CA 5 HOH 242 2242 2242 HOH HOH D . CA 5 HOH 243 2243 2243 HOH HOH D . CA 5 HOH 244 2244 2244 HOH HOH D . CA 5 HOH 245 2245 2245 HOH HOH D . CA 5 HOH 246 2246 2246 HOH HOH D . CA 5 HOH 247 2247 2247 HOH HOH D . CA 5 HOH 248 2248 2248 HOH HOH D . CA 5 HOH 249 2249 2249 HOH HOH D . CA 5 HOH 250 2250 2250 HOH HOH D . CA 5 HOH 251 2251 2251 HOH HOH D . CA 5 HOH 252 2252 2252 HOH HOH D . CA 5 HOH 253 2253 2253 HOH HOH D . CA 5 HOH 254 2254 2254 HOH HOH D . CA 5 HOH 255 2255 2255 HOH HOH D . CA 5 HOH 256 2256 2256 HOH HOH D . CA 5 HOH 257 2257 2257 HOH HOH D . CA 5 HOH 258 2258 2258 HOH HOH D . CA 5 HOH 259 2259 2259 HOH HOH D . CA 5 HOH 260 2260 2260 HOH HOH D . CA 5 HOH 261 2261 2261 HOH HOH D . DA 5 HOH 1 2001 2001 HOH HOH E . DA 5 HOH 2 2002 2002 HOH HOH E . DA 5 HOH 3 2003 2003 HOH HOH E . DA 5 HOH 4 2004 2004 HOH HOH E . DA 5 HOH 5 2005 2005 HOH HOH E . DA 5 HOH 6 2006 2006 HOH HOH E . DA 5 HOH 7 2007 2007 HOH HOH E . DA 5 HOH 8 2008 2008 HOH HOH E . DA 5 HOH 9 2009 2009 HOH HOH E . DA 5 HOH 10 2010 2010 HOH HOH E . DA 5 HOH 11 2011 2011 HOH HOH E . DA 5 HOH 12 2012 2012 HOH HOH E . DA 5 HOH 13 2013 2013 HOH HOH E . DA 5 HOH 14 2014 2014 HOH HOH E . DA 5 HOH 15 2015 2015 HOH HOH E . DA 5 HOH 16 2016 2016 HOH HOH E . DA 5 HOH 17 2017 2017 HOH HOH E . DA 5 HOH 18 2018 2018 HOH HOH E . DA 5 HOH 19 2019 2019 HOH HOH E . DA 5 HOH 20 2020 2020 HOH HOH E . DA 5 HOH 21 2021 2021 HOH HOH E . DA 5 HOH 22 2022 2022 HOH HOH E . DA 5 HOH 23 2023 2023 HOH HOH E . DA 5 HOH 24 2024 2024 HOH HOH E . DA 5 HOH 25 2025 2025 HOH HOH E . DA 5 HOH 26 2026 2026 HOH HOH E . DA 5 HOH 27 2027 2027 HOH HOH E . DA 5 HOH 28 2028 2028 HOH HOH E . DA 5 HOH 29 2029 2029 HOH HOH E . DA 5 HOH 30 2030 2030 HOH HOH E . DA 5 HOH 31 2031 2031 HOH HOH E . DA 5 HOH 32 2032 2032 HOH HOH E . DA 5 HOH 33 2033 2033 HOH HOH E . DA 5 HOH 34 2034 2034 HOH HOH E . DA 5 HOH 35 2035 2035 HOH HOH E . DA 5 HOH 36 2036 2036 HOH HOH E . DA 5 HOH 37 2037 2037 HOH HOH E . DA 5 HOH 38 2038 2038 HOH HOH E . DA 5 HOH 39 2039 2039 HOH HOH E . DA 5 HOH 40 2040 2040 HOH HOH E . DA 5 HOH 41 2041 2041 HOH HOH E . DA 5 HOH 42 2042 2042 HOH HOH E . DA 5 HOH 43 2043 2043 HOH HOH E . DA 5 HOH 44 2044 2044 HOH HOH E . DA 5 HOH 45 2045 2045 HOH HOH E . DA 5 HOH 46 2046 2046 HOH HOH E . DA 5 HOH 47 2047 2047 HOH HOH E . DA 5 HOH 48 2048 2048 HOH HOH E . DA 5 HOH 49 2049 2049 HOH HOH E . DA 5 HOH 50 2050 2050 HOH HOH E . DA 5 HOH 51 2051 2051 HOH HOH E . DA 5 HOH 52 2052 2052 HOH HOH E . DA 5 HOH 53 2053 2053 HOH HOH E . DA 5 HOH 54 2054 2054 HOH HOH E . DA 5 HOH 55 2055 2055 HOH HOH E . DA 5 HOH 56 2056 2056 HOH HOH E . DA 5 HOH 57 2057 2057 HOH HOH E . DA 5 HOH 58 2058 2058 HOH HOH E . DA 5 HOH 59 2059 2059 HOH HOH E . DA 5 HOH 60 2060 2060 HOH HOH E . DA 5 HOH 61 2061 2061 HOH HOH E . DA 5 HOH 62 2062 2062 HOH HOH E . DA 5 HOH 63 2063 2063 HOH HOH E . DA 5 HOH 64 2064 2064 HOH HOH E . DA 5 HOH 65 2065 2065 HOH HOH E . DA 5 HOH 66 2066 2066 HOH HOH E . DA 5 HOH 67 2067 2067 HOH HOH E . DA 5 HOH 68 2068 2068 HOH HOH E . DA 5 HOH 69 2069 2069 HOH HOH E . DA 5 HOH 70 2070 2070 HOH HOH E . DA 5 HOH 71 2071 2071 HOH HOH E . DA 5 HOH 72 2072 2072 HOH HOH E . DA 5 HOH 73 2073 2073 HOH HOH E . DA 5 HOH 74 2074 2074 HOH HOH E . DA 5 HOH 75 2075 2075 HOH HOH E . DA 5 HOH 76 2076 2076 HOH HOH E . DA 5 HOH 77 2077 2077 HOH HOH E . DA 5 HOH 78 2078 2078 HOH HOH E . DA 5 HOH 79 2079 2079 HOH HOH E . DA 5 HOH 80 2080 2080 HOH HOH E . DA 5 HOH 81 2081 2081 HOH HOH E . DA 5 HOH 82 2082 2082 HOH HOH E . DA 5 HOH 83 2083 2083 HOH HOH E . DA 5 HOH 84 2084 2084 HOH HOH E . DA 5 HOH 85 2085 2085 HOH HOH E . DA 5 HOH 86 2086 2086 HOH HOH E . DA 5 HOH 87 2087 2087 HOH HOH E . DA 5 HOH 88 2088 2088 HOH HOH E . DA 5 HOH 89 2089 2089 HOH HOH E . DA 5 HOH 90 2090 2090 HOH HOH E . DA 5 HOH 91 2091 2091 HOH HOH E . DA 5 HOH 92 2092 2092 HOH HOH E . DA 5 HOH 93 2093 2093 HOH HOH E . DA 5 HOH 94 2094 2094 HOH HOH E . DA 5 HOH 95 2095 2095 HOH HOH E . DA 5 HOH 96 2096 2096 HOH HOH E . DA 5 HOH 97 2097 2097 HOH HOH E . DA 5 HOH 98 2098 2098 HOH HOH E . DA 5 HOH 99 2099 2099 HOH HOH E . DA 5 HOH 100 2100 2100 HOH HOH E . DA 5 HOH 101 2101 2101 HOH HOH E . DA 5 HOH 102 2102 2102 HOH HOH E . DA 5 HOH 103 2103 2103 HOH HOH E . DA 5 HOH 104 2104 2104 HOH HOH E . DA 5 HOH 105 2105 2105 HOH HOH E . DA 5 HOH 106 2106 2106 HOH HOH E . DA 5 HOH 107 2107 2107 HOH HOH E . DA 5 HOH 108 2108 2108 HOH HOH E . DA 5 HOH 109 2109 2109 HOH HOH E . DA 5 HOH 110 2110 2110 HOH HOH E . DA 5 HOH 111 2111 2111 HOH HOH E . DA 5 HOH 112 2112 2112 HOH HOH E . DA 5 HOH 113 2113 2113 HOH HOH E . DA 5 HOH 114 2114 2114 HOH HOH E . DA 5 HOH 115 2115 2115 HOH HOH E . DA 5 HOH 116 2116 2116 HOH HOH E . DA 5 HOH 117 2117 2117 HOH HOH E . DA 5 HOH 118 2118 2118 HOH HOH E . DA 5 HOH 119 2119 2119 HOH HOH E . DA 5 HOH 120 2120 2120 HOH HOH E . DA 5 HOH 121 2121 2121 HOH HOH E . DA 5 HOH 122 2122 2122 HOH HOH E . DA 5 HOH 123 2123 2123 HOH HOH E . DA 5 HOH 124 2124 2124 HOH HOH E . DA 5 HOH 125 2125 2125 HOH HOH E . DA 5 HOH 126 2126 2126 HOH HOH E . DA 5 HOH 127 2127 2127 HOH HOH E . DA 5 HOH 128 2128 2128 HOH HOH E . DA 5 HOH 129 2129 2129 HOH HOH E . DA 5 HOH 130 2130 2130 HOH HOH E . DA 5 HOH 131 2131 2131 HOH HOH E . DA 5 HOH 132 2132 2132 HOH HOH E . DA 5 HOH 133 2133 2133 HOH HOH E . DA 5 HOH 134 2134 2134 HOH HOH E . DA 5 HOH 135 2135 2135 HOH HOH E . DA 5 HOH 136 2136 2136 HOH HOH E . DA 5 HOH 137 2137 2137 HOH HOH E . DA 5 HOH 138 2138 2138 HOH HOH E . DA 5 HOH 139 2139 2139 HOH HOH E . DA 5 HOH 140 2140 2140 HOH HOH E . DA 5 HOH 141 2141 2141 HOH HOH E . DA 5 HOH 142 2142 2142 HOH HOH E . DA 5 HOH 143 2143 2143 HOH HOH E . DA 5 HOH 144 2144 2144 HOH HOH E . DA 5 HOH 145 2145 2145 HOH HOH E . DA 5 HOH 146 2146 2146 HOH HOH E . DA 5 HOH 147 2147 2147 HOH HOH E . DA 5 HOH 148 2148 2148 HOH HOH E . DA 5 HOH 149 2149 2149 HOH HOH E . DA 5 HOH 150 2150 2150 HOH HOH E . DA 5 HOH 151 2151 2151 HOH HOH E . DA 5 HOH 152 2152 2152 HOH HOH E . DA 5 HOH 153 2153 2153 HOH HOH E . DA 5 HOH 154 2154 2154 HOH HOH E . DA 5 HOH 155 2155 2155 HOH HOH E . DA 5 HOH 156 2156 2156 HOH HOH E . DA 5 HOH 157 2157 2157 HOH HOH E . DA 5 HOH 158 2158 2158 HOH HOH E . DA 5 HOH 159 2159 2159 HOH HOH E . DA 5 HOH 160 2160 2160 HOH HOH E . DA 5 HOH 161 2161 2161 HOH HOH E . DA 5 HOH 162 2162 2162 HOH HOH E . DA 5 HOH 163 2163 2163 HOH HOH E . DA 5 HOH 164 2164 2164 HOH HOH E . DA 5 HOH 165 2165 2165 HOH HOH E . DA 5 HOH 166 2166 2166 HOH HOH E . DA 5 HOH 167 2167 2167 HOH HOH E . DA 5 HOH 168 2168 2168 HOH HOH E . DA 5 HOH 169 2169 2169 HOH HOH E . DA 5 HOH 170 2170 2170 HOH HOH E . DA 5 HOH 171 2171 2171 HOH HOH E . DA 5 HOH 172 2172 2172 HOH HOH E . DA 5 HOH 173 2173 2173 HOH HOH E . DA 5 HOH 174 2174 2174 HOH HOH E . DA 5 HOH 175 2175 2175 HOH HOH E . DA 5 HOH 176 2176 2176 HOH HOH E . DA 5 HOH 177 2177 2177 HOH HOH E . DA 5 HOH 178 2178 2178 HOH HOH E . DA 5 HOH 179 2179 2179 HOH HOH E . DA 5 HOH 180 2180 2180 HOH HOH E . DA 5 HOH 181 2181 2181 HOH HOH E . DA 5 HOH 182 2182 2182 HOH HOH E . DA 5 HOH 183 2183 2183 HOH HOH E . DA 5 HOH 184 2184 2184 HOH HOH E . DA 5 HOH 185 2185 2185 HOH HOH E . DA 5 HOH 186 2186 2186 HOH HOH E . DA 5 HOH 187 2187 2187 HOH HOH E . DA 5 HOH 188 2188 2188 HOH HOH E . DA 5 HOH 189 2189 2189 HOH HOH E . DA 5 HOH 190 2190 2190 HOH HOH E . DA 5 HOH 191 2191 2191 HOH HOH E . DA 5 HOH 192 2192 2192 HOH HOH E . DA 5 HOH 193 2193 2193 HOH HOH E . DA 5 HOH 194 2194 2194 HOH HOH E . DA 5 HOH 195 2195 2195 HOH HOH E . DA 5 HOH 196 2196 2196 HOH HOH E . DA 5 HOH 197 2197 2197 HOH HOH E . DA 5 HOH 198 2198 2198 HOH HOH E . DA 5 HOH 199 2199 2199 HOH HOH E . DA 5 HOH 200 2200 2200 HOH HOH E . DA 5 HOH 201 2201 2201 HOH HOH E . DA 5 HOH 202 2202 2202 HOH HOH E . DA 5 HOH 203 2203 2203 HOH HOH E . DA 5 HOH 204 2204 2204 HOH HOH E . DA 5 HOH 205 2205 2205 HOH HOH E . DA 5 HOH 206 2206 2206 HOH HOH E . DA 5 HOH 207 2207 2207 HOH HOH E . DA 5 HOH 208 2208 2208 HOH HOH E . DA 5 HOH 209 2209 2209 HOH HOH E . DA 5 HOH 210 2210 2210 HOH HOH E . DA 5 HOH 211 2211 2211 HOH HOH E . DA 5 HOH 212 2212 2212 HOH HOH E . DA 5 HOH 213 2213 2213 HOH HOH E . DA 5 HOH 214 2214 2214 HOH HOH E . DA 5 HOH 215 2215 2215 HOH HOH E . DA 5 HOH 216 2216 2216 HOH HOH E . DA 5 HOH 217 2217 2217 HOH HOH E . DA 5 HOH 218 2218 2218 HOH HOH E . DA 5 HOH 219 2219 2219 HOH HOH E . DA 5 HOH 220 2220 2220 HOH HOH E . DA 5 HOH 221 2221 2221 HOH HOH E . DA 5 HOH 222 2222 2222 HOH HOH E . DA 5 HOH 223 2223 2223 HOH HOH E . DA 5 HOH 224 2224 2224 HOH HOH E . DA 5 HOH 225 2225 2225 HOH HOH E . DA 5 HOH 226 2226 2226 HOH HOH E . DA 5 HOH 227 2227 2227 HOH HOH E . DA 5 HOH 228 2228 2228 HOH HOH E . DA 5 HOH 229 2229 2229 HOH HOH E . DA 5 HOH 230 2230 2230 HOH HOH E . DA 5 HOH 231 2231 2231 HOH HOH E . DA 5 HOH 232 2232 2232 HOH HOH E . DA 5 HOH 233 2233 2233 HOH HOH E . DA 5 HOH 234 2234 2234 HOH HOH E . DA 5 HOH 235 2235 2235 HOH HOH E . DA 5 HOH 236 2236 2236 HOH HOH E . DA 5 HOH 237 2237 2237 HOH HOH E . DA 5 HOH 238 2238 2238 HOH HOH E . DA 5 HOH 239 2239 2239 HOH HOH E . DA 5 HOH 240 2240 2240 HOH HOH E . DA 5 HOH 241 2241 2241 HOH HOH E . DA 5 HOH 242 2242 2242 HOH HOH E . DA 5 HOH 243 2243 2243 HOH HOH E . DA 5 HOH 244 2244 2244 HOH HOH E . DA 5 HOH 245 2245 2245 HOH HOH E . DA 5 HOH 246 2246 2246 HOH HOH E . # 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 32 A ASN 32 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 32 B ASN 32 ? ASN 'GLYCOSYLATION SITE' 3 C ASN 32 C ASN 32 ? ASN 'GLYCOSYLATION SITE' 4 D ASN 32 D ASN 32 ? ASN 'GLYCOSYLATION SITE' 5 E ASN 32 E ASN 32 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details pentameric _pdbx_struct_assembly.oligomeric_count 5 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA,CA,DA # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 11240 ? 1 MORE -145.3 ? 1 'SSA (A^2)' 38210 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 O ? A GLN 137 ? A GLN 137 ? 1_555 77.8 ? 2 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 72.3 ? 3 O ? A GLN 137 ? A GLN 137 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 81.0 ? 4 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OD1 ? A ASP 58 ? A ASP 58 ? 1_555 146.3 ? 5 O ? A GLN 137 ? A GLN 137 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OD1 ? A ASP 58 ? A ASP 58 ? 1_555 68.7 ? 6 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OD1 ? A ASP 58 ? A ASP 58 ? 1_555 98.6 ? 7 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OD1 ? A ASN 59 ? A ASN 59 ? 1_555 120.4 ? 8 O ? A GLN 137 ? A GLN 137 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OD1 ? A ASN 59 ? A ASN 59 ? 1_555 114.5 ? 9 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OD1 ? A ASN 59 ? A ASN 59 ? 1_555 160.9 ? 10 OD1 ? A ASP 58 ? A ASP 58 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OD1 ? A ASN 59 ? A ASN 59 ? 1_555 78.2 ? 11 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OE2 ? A GLU 136 ? A GLU 136 ? 1_555 51.2 ? 12 O ? A GLN 137 ? A GLN 137 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OE2 ? A GLU 136 ? A GLU 136 ? 1_555 77.1 ? 13 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OE2 ? A GLU 136 ? A GLU 136 ? 1_555 122.3 ? 14 OD1 ? A ASP 58 ? A ASP 58 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OE2 ? A GLU 136 ? A GLU 136 ? 1_555 120.8 ? 15 OD1 ? A ASN 59 ? A ASN 59 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OE2 ? A GLU 136 ? A GLU 136 ? 1_555 74.0 ? 16 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OXT ? I N7P . ? A N7P 208 ? 1_555 80.7 ? 17 O ? A GLN 137 ? A GLN 137 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OXT ? I N7P . ? A N7P 208 ? 1_555 157.0 ? 18 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OXT ? I N7P . ? A N7P 208 ? 1_555 84.8 ? 19 OD1 ? A ASP 58 ? A ASP 58 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OXT ? I N7P . ? A N7P 208 ? 1_555 131.8 ? 20 OD1 ? A ASN 59 ? A ASN 59 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OXT ? I N7P . ? A N7P 208 ? 1_555 83.5 ? 21 OE2 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OXT ? I N7P . ? A N7P 208 ? 1_555 95.6 ? 22 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OD2 ? A ASP 58 ? A ASP 58 ? 1_555 154.0 ? 23 O ? A GLN 137 ? A GLN 137 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OD2 ? A ASP 58 ? A ASP 58 ? 1_555 113.7 ? 24 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OD2 ? A ASP 58 ? A ASP 58 ? 1_555 86.1 ? 25 OD1 ? A ASP 58 ? A ASP 58 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OD2 ? A ASP 58 ? A ASP 58 ? 1_555 49.5 ? 26 OD1 ? A ASN 59 ? A ASN 59 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OD2 ? A ASP 58 ? A ASP 58 ? 1_555 77.5 ? 27 OE2 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OD2 ? A ASP 58 ? A ASP 58 ? 1_555 151.5 ? 28 OXT ? I N7P . ? A N7P 208 ? 1_555 CA ? G CA . ? A CA 206 ? 1_555 OD2 ? A ASP 58 ? A ASP 58 ? 1_555 83.1 ? 29 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 OE1 ? A GLN 148 ? A GLN 148 ? 1_555 86.6 ? 30 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 O ? Z HOH . ? A HOH 2195 ? 1_555 86.7 ? 31 OE1 ? A GLN 148 ? A GLN 148 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 O ? Z HOH . ? A HOH 2195 ? 1_555 87.9 ? 32 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 O ? Z HOH . ? A HOH 2196 ? 1_555 163.9 ? 33 OE1 ? A GLN 148 ? A GLN 148 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 O ? Z HOH . ? A HOH 2196 ? 1_555 77.9 ? 34 O ? Z HOH . ? A HOH 2195 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 O ? Z HOH . ? A HOH 2196 ? 1_555 96.9 ? 35 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 73.2 ? 36 OE1 ? A GLN 148 ? A GLN 148 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 159.8 ? 37 O ? Z HOH . ? A HOH 2195 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 90.4 ? 38 O ? Z HOH . ? A HOH 2196 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 122.3 ? 39 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 OD2 ? A ASP 138 ? A ASP 138 ? 1_555 119.1 ? 40 OE1 ? A GLN 148 ? A GLN 148 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 OD2 ? A ASP 138 ? A ASP 138 ? 1_555 146.8 ? 41 O ? Z HOH . ? A HOH 2195 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 OD2 ? A ASP 138 ? A ASP 138 ? 1_555 74.1 ? 42 O ? Z HOH . ? A HOH 2196 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 OD2 ? A ASP 138 ? A ASP 138 ? 1_555 76.9 ? 43 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 OD2 ? A ASP 138 ? A ASP 138 ? 1_555 50.5 ? 44 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 O ? I N7P . ? A N7P 208 ? 1_555 88.5 ? 45 OE1 ? A GLN 148 ? A GLN 148 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 O ? I N7P . ? A N7P 208 ? 1_555 88.1 ? 46 O ? Z HOH . ? A HOH 2195 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 O ? I N7P . ? A N7P 208 ? 1_555 173.9 ? 47 O ? Z HOH . ? A HOH 2196 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 O ? I N7P . ? A N7P 208 ? 1_555 86.7 ? 48 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 O ? I N7P . ? A N7P 208 ? 1_555 91.8 ? 49 OD2 ? A ASP 138 ? A ASP 138 ? 1_555 CA ? H CA . ? A CA 207 ? 1_555 O ? I N7P . ? A N7P 208 ? 1_555 111.6 ? 50 OE1 ? B GLN 148 ? B GLN 148 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 O ? M N7P . ? B N7P 208 ? 1_555 88.2 ? 51 OE1 ? B GLN 148 ? B GLN 148 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 O ? AA HOH . ? B HOH 2186 ? 1_555 77.9 ? 52 O ? M N7P . ? B N7P 208 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 O ? AA HOH . ? B HOH 2186 ? 1_555 88.5 ? 53 OE1 ? B GLN 148 ? B GLN 148 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 OD2 ? B ASP 138 ? B ASP 138 ? 1_555 147.5 ? 54 O ? M N7P . ? B N7P 208 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 OD2 ? B ASP 138 ? B ASP 138 ? 1_555 112.6 ? 55 O ? AA HOH . ? B HOH 2186 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 OD2 ? B ASP 138 ? B ASP 138 ? 1_555 78.1 ? 56 OE1 ? B GLN 148 ? B GLN 148 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 86.6 ? 57 O ? M N7P . ? B N7P 208 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 84.2 ? 58 O ? AA HOH . ? B HOH 2186 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 163.1 ? 59 OD2 ? B ASP 138 ? B ASP 138 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 118.9 ? 60 OE1 ? B GLN 148 ? B GLN 148 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 158.3 ? 61 O ? M N7P . ? B N7P 208 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 89.6 ? 62 O ? AA HOH . ? B HOH 2186 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 123.6 ? 63 OD2 ? B ASP 138 ? B ASP 138 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 51.4 ? 64 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 71.7 ? 65 OE1 ? B GLN 148 ? B GLN 148 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 O ? AA HOH . ? B HOH 2183 ? 1_555 88.6 ? 66 O ? M N7P . ? B N7P 208 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 O ? AA HOH . ? B HOH 2183 ? 1_555 170.8 ? 67 O ? AA HOH . ? B HOH 2186 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 O ? AA HOH . ? B HOH 2183 ? 1_555 99.3 ? 68 OD2 ? B ASP 138 ? B ASP 138 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 O ? AA HOH . ? B HOH 2183 ? 1_555 74.2 ? 69 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 O ? AA HOH . ? B HOH 2183 ? 1_555 86.9 ? 70 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 CA ? K CA . ? B CA 206 ? 1_555 O ? AA HOH . ? B HOH 2183 ? 1_555 90.1 ? 71 OXT ? M N7P . ? B N7P 208 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OD1 ? B ASN 59 ? B ASN 59 ? 1_555 84.2 ? 72 OXT ? M N7P . ? B N7P 208 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OD2 ? B ASP 58 ? B ASP 58 ? 1_555 83.4 ? 73 OD1 ? B ASN 59 ? B ASN 59 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OD2 ? B ASP 58 ? B ASP 58 ? 1_555 77.4 ? 74 OXT ? M N7P . ? B N7P 208 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OD1 ? B ASP 58 ? B ASP 58 ? 1_555 132.7 ? 75 OD1 ? B ASN 59 ? B ASN 59 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OD1 ? B ASP 58 ? B ASP 58 ? 1_555 77.9 ? 76 OD2 ? B ASP 58 ? B ASP 58 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OD1 ? B ASP 58 ? B ASP 58 ? 1_555 50.2 ? 77 OXT ? M N7P . ? B N7P 208 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 86.1 ? 78 OD1 ? B ASN 59 ? B ASN 59 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 162.3 ? 79 OD2 ? B ASP 58 ? B ASP 58 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 86.9 ? 80 OD1 ? B ASP 58 ? B ASP 58 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 98.3 ? 81 OXT ? M N7P . ? B N7P 208 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 O ? B GLN 137 ? B GLN 137 ? 1_555 156.1 ? 82 OD1 ? B ASN 59 ? B ASN 59 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 O ? B GLN 137 ? B GLN 137 ? 1_555 113.0 ? 83 OD2 ? B ASP 58 ? B ASP 58 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 O ? B GLN 137 ? B GLN 137 ? 1_555 115.7 ? 84 OD1 ? B ASP 58 ? B ASP 58 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 O ? B GLN 137 ? B GLN 137 ? 1_555 69.5 ? 85 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 O ? B GLN 137 ? B GLN 137 ? 1_555 81.0 ? 86 OXT ? M N7P . ? B N7P 208 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 79.1 ? 87 OD1 ? B ASN 59 ? B ASN 59 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 120.7 ? 88 OD2 ? B ASP 58 ? B ASP 58 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 152.9 ? 89 OD1 ? B ASP 58 ? B ASP 58 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 147.0 ? 90 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 71.5 ? 91 O ? B GLN 137 ? B GLN 137 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 77.8 ? 92 OXT ? M N7P . ? B N7P 208 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OE2 ? B GLU 136 ? B GLU 136 ? 1_555 94.1 ? 93 OD1 ? B ASN 59 ? B ASN 59 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OE2 ? B GLU 136 ? B GLU 136 ? 1_555 74.2 ? 94 OD2 ? B ASP 58 ? B ASP 58 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OE2 ? B GLU 136 ? B GLU 136 ? 1_555 151.5 ? 95 OD1 ? B ASP 58 ? B ASP 58 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OE2 ? B GLU 136 ? B GLU 136 ? 1_555 121.5 ? 96 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OE2 ? B GLU 136 ? B GLU 136 ? 1_555 121.3 ? 97 O ? B GLN 137 ? B GLN 137 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OE2 ? B GLU 136 ? B GLU 136 ? 1_555 76.0 ? 98 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 CA ? L CA . ? B CA 207 ? 1_555 OE2 ? B GLU 136 ? B GLU 136 ? 1_555 51.3 ? 99 OXT ? Q N7P . ? C N7P 208 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 O ? C GLN 137 ? C GLN 137 ? 1_555 154.9 ? 100 OXT ? Q N7P . ? C N7P 208 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OD1 ? C ASN 59 ? C ASN 59 ? 1_555 83.2 ? 101 O ? C GLN 137 ? C GLN 137 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OD1 ? C ASN 59 ? C ASN 59 ? 1_555 115.8 ? 102 OXT ? Q N7P . ? C N7P 208 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OD2 ? C ASP 58 ? C ASP 58 ? 1_555 84.5 ? 103 O ? C GLN 137 ? C GLN 137 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OD2 ? C ASP 58 ? C ASP 58 ? 1_555 115.2 ? 104 OD1 ? C ASN 59 ? C ASN 59 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OD2 ? C ASP 58 ? C ASP 58 ? 1_555 74.9 ? 105 OXT ? Q N7P . ? C N7P 208 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 83.8 ? 106 O ? C GLN 137 ? C GLN 137 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 81.5 ? 107 OD1 ? C ASN 59 ? C ASN 59 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 159.6 ? 108 OD2 ? C ASP 58 ? C ASP 58 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 88.1 ? 109 OXT ? Q N7P . ? C N7P 208 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OD1 ? C ASP 58 ? C ASP 58 ? 1_555 133.5 ? 110 O ? C GLN 137 ? C GLN 137 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OD1 ? C ASP 58 ? C ASP 58 ? 1_555 69.3 ? 111 OD1 ? C ASN 59 ? C ASN 59 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OD1 ? C ASP 58 ? C ASP 58 ? 1_555 78.9 ? 112 OD2 ? C ASP 58 ? C ASP 58 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OD1 ? C ASP 58 ? C ASP 58 ? 1_555 49.5 ? 113 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OD1 ? C ASP 58 ? C ASP 58 ? 1_555 98.9 ? 114 OXT ? Q N7P . ? C N7P 208 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 94.6 ? 115 O ? C GLN 137 ? C GLN 137 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 76.4 ? 116 OD1 ? C ASN 59 ? C ASN 59 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 74.7 ? 117 OD2 ? C ASP 58 ? C ASP 58 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 149.5 ? 118 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 122.1 ? 119 OD1 ? C ASP 58 ? C ASP 58 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 120.9 ? 120 OXT ? Q N7P . ? C N7P 208 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 78.1 ? 121 O ? C GLN 137 ? C GLN 137 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 78.0 ? 122 OD1 ? C ASN 59 ? C ASN 59 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 120.0 ? 123 OD2 ? C ASP 58 ? C ASP 58 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 155.0 ? 124 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 72.3 ? 125 OD1 ? C ASP 58 ? C ASP 58 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 147.2 ? 126 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 CA ? O CA . ? C CA 206 ? 1_555 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 51.1 ? 127 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 72.8 ? 128 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 OD2 ? C ASP 138 ? C ASP 138 ? 1_555 120.3 ? 129 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 OD2 ? C ASP 138 ? C ASP 138 ? 1_555 51.0 ? 130 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 OE1 ? C GLN 148 ? C GLN 148 ? 1_555 85.7 ? 131 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 OE1 ? C GLN 148 ? C GLN 148 ? 1_555 158.5 ? 132 OD2 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 OE1 ? C GLN 148 ? C GLN 148 ? 1_555 148.8 ? 133 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 O ? BA HOH . ? C HOH 2192 ? 1_555 162.7 ? 134 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 O ? BA HOH . ? C HOH 2192 ? 1_555 122.6 ? 135 OD2 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 O ? BA HOH . ? C HOH 2192 ? 1_555 76.9 ? 136 OE1 ? C GLN 148 ? C GLN 148 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 O ? BA HOH . ? C HOH 2192 ? 1_555 78.6 ? 137 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 O ? Q N7P . ? C N7P 208 ? 1_555 86.3 ? 138 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 O ? Q N7P . ? C N7P 208 ? 1_555 87.5 ? 139 OD2 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 O ? Q N7P . ? C N7P 208 ? 1_555 107.1 ? 140 OE1 ? C GLN 148 ? C GLN 148 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 O ? Q N7P . ? C N7P 208 ? 1_555 90.3 ? 141 O ? BA HOH . ? C HOH 2192 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 O ? Q N7P . ? C N7P 208 ? 1_555 86.4 ? 142 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 O ? BA HOH . ? C HOH 2188 ? 1_555 89.5 ? 143 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 O ? BA HOH . ? C HOH 2188 ? 1_555 90.4 ? 144 OD2 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 O ? BA HOH . ? C HOH 2188 ? 1_555 74.3 ? 145 OE1 ? C GLN 148 ? C GLN 148 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 O ? BA HOH . ? C HOH 2188 ? 1_555 90.2 ? 146 O ? BA HOH . ? C HOH 2192 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 O ? BA HOH . ? C HOH 2188 ? 1_555 97.8 ? 147 O ? Q N7P . ? C N7P 208 ? 1_555 CA ? P CA . ? C CA 207 ? 1_555 O ? BA HOH . ? C HOH 2188 ? 1_555 175.8 ? 148 O ? CA HOH . ? D HOH 2189 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 OD2 ? D ASP 138 ? D ASP 138 ? 1_555 74.0 ? 149 O ? CA HOH . ? D HOH 2189 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 O ? CA HOH . ? D HOH 2190 ? 1_555 96.3 ? 150 OD2 ? D ASP 138 ? D ASP 138 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 O ? CA HOH . ? D HOH 2190 ? 1_555 76.9 ? 151 O ? CA HOH . ? D HOH 2189 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 O ? U N7P . ? D N7P 208 ? 1_555 172.4 ? 152 OD2 ? D ASP 138 ? D ASP 138 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 O ? U N7P . ? D N7P 208 ? 1_555 111.7 ? 153 O ? CA HOH . ? D HOH 2190 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 O ? U N7P . ? D N7P 208 ? 1_555 90.0 ? 154 O ? CA HOH . ? D HOH 2189 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 OE1 ? D GLN 148 ? D GLN 148 ? 1_555 90.7 ? 155 OD2 ? D ASP 138 ? D ASP 138 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 OE1 ? D GLN 148 ? D GLN 148 ? 1_555 149.6 ? 156 O ? CA HOH . ? D HOH 2190 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 OE1 ? D GLN 148 ? D GLN 148 ? 1_555 78.9 ? 157 O ? U N7P . ? D N7P 208 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 OE1 ? D GLN 148 ? D GLN 148 ? 1_555 86.3 ? 158 O ? CA HOH . ? D HOH 2189 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 89.6 ? 159 OD2 ? D ASP 138 ? D ASP 138 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 50.0 ? 160 O ? CA HOH . ? D HOH 2190 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 122.5 ? 161 O ? U N7P . ? D N7P 208 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 90.6 ? 162 OE1 ? D GLN 148 ? D GLN 148 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 158.4 ? 163 O ? CA HOH . ? D HOH 2189 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 86.1 ? 164 OD2 ? D ASP 138 ? D ASP 138 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 116.8 ? 165 O ? CA HOH . ? D HOH 2190 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 166.1 ? 166 O ? U N7P . ? D N7P 208 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 86.8 ? 167 OE1 ? D GLN 148 ? D GLN 148 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 87.4 ? 168 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 CA ? S CA . ? D CA 206 ? 1_555 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 71.0 ? 169 OD1 ? D ASP 58 ? D ASP 58 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OD1 ? D ASN 59 ? D ASN 59 ? 1_555 80.1 ? 170 OD1 ? D ASP 58 ? D ASP 58 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OE2 ? D GLU 136 ? D GLU 136 ? 1_555 124.5 ? 171 OD1 ? D ASN 59 ? D ASN 59 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OE2 ? D GLU 136 ? D GLU 136 ? 1_555 73.2 ? 172 OD1 ? D ASP 58 ? D ASP 58 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 146.6 ? 173 OD1 ? D ASN 59 ? D ASN 59 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 120.5 ? 174 OE2 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 51.5 ? 175 OD1 ? D ASP 58 ? D ASP 58 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OD2 ? D ASP 58 ? D ASP 58 ? 1_555 49.8 ? 176 OD1 ? D ASN 59 ? D ASN 59 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OD2 ? D ASP 58 ? D ASP 58 ? 1_555 74.0 ? 177 OE2 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OD2 ? D ASP 58 ? D ASP 58 ? 1_555 147.1 ? 178 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OD2 ? D ASP 58 ? D ASP 58 ? 1_555 154.7 ? 179 OD1 ? D ASP 58 ? D ASP 58 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 96.6 ? 180 OD1 ? D ASN 59 ? D ASN 59 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 162.5 ? 181 OE2 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 121.5 ? 182 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 71.0 ? 183 OD2 ? D ASP 58 ? D ASP 58 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 90.7 ? 184 OD1 ? D ASP 58 ? D ASP 58 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OXT ? U N7P . ? D N7P 208 ? 1_555 132.1 ? 185 OD1 ? D ASN 59 ? D ASN 59 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OXT ? U N7P . ? D N7P 208 ? 1_555 83.4 ? 186 OE2 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OXT ? U N7P . ? D N7P 208 ? 1_555 92.2 ? 187 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OXT ? U N7P . ? D N7P 208 ? 1_555 79.2 ? 188 OD2 ? D ASP 58 ? D ASP 58 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OXT ? U N7P . ? D N7P 208 ? 1_555 82.5 ? 189 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 OXT ? U N7P . ? D N7P 208 ? 1_555 86.3 ? 190 OD1 ? D ASP 58 ? D ASP 58 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 O ? D GLN 137 ? D GLN 137 ? 1_555 71.3 ? 191 OD1 ? D ASN 59 ? D ASN 59 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 O ? D GLN 137 ? D GLN 137 ? 1_555 113.8 ? 192 OE2 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 O ? D GLN 137 ? D GLN 137 ? 1_555 76.5 ? 193 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 O ? D GLN 137 ? D GLN 137 ? 1_555 76.1 ? 194 OD2 ? D ASP 58 ? D ASP 58 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 O ? D GLN 137 ? D GLN 137 ? 1_555 119.1 ? 195 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 O ? D GLN 137 ? D GLN 137 ? 1_555 80.8 ? 196 OXT ? U N7P . ? D N7P 208 ? 1_555 CA ? T CA . ? D CA 207 ? 1_555 O ? D GLN 137 ? D GLN 137 ? 1_555 154.8 ? 197 OXT ? Y N7P . ? E N7P 208 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 84.8 ? 198 OXT ? Y N7P . ? E N7P 208 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 79.4 ? 199 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 71.3 ? 200 OXT ? Y N7P . ? E N7P 208 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OD2 ? E ASP 58 ? E ASP 58 ? 1_555 82.4 ? 201 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OD2 ? E ASP 58 ? E ASP 58 ? 1_555 87.5 ? 202 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OD2 ? E ASP 58 ? E ASP 58 ? 1_555 153.1 ? 203 OXT ? Y N7P . ? E N7P 208 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 O ? E GLN 137 ? E GLN 137 ? 1_555 155.6 ? 204 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 O ? E GLN 137 ? E GLN 137 ? 1_555 80.6 ? 205 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 O ? E GLN 137 ? E GLN 137 ? 1_555 77.3 ? 206 OD2 ? E ASP 58 ? E ASP 58 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 O ? E GLN 137 ? E GLN 137 ? 1_555 116.2 ? 207 OXT ? Y N7P . ? E N7P 208 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OE2 ? E GLU 136 ? E GLU 136 ? 1_555 95.5 ? 208 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OE2 ? E GLU 136 ? E GLU 136 ? 1_555 120.6 ? 209 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OE2 ? E GLU 136 ? E GLU 136 ? 1_555 50.8 ? 210 OD2 ? E ASP 58 ? E ASP 58 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OE2 ? E GLU 136 ? E GLU 136 ? 1_555 151.7 ? 211 O ? E GLN 137 ? E GLN 137 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OE2 ? E GLU 136 ? E GLU 136 ? 1_555 75.5 ? 212 OXT ? Y N7P . ? E N7P 208 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OD1 ? E ASN 59 ? E ASN 59 ? 1_555 84.0 ? 213 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OD1 ? E ASN 59 ? E ASN 59 ? 1_555 163.6 ? 214 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OD1 ? E ASN 59 ? E ASN 59 ? 1_555 118.2 ? 215 OD2 ? E ASP 58 ? E ASP 58 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OD1 ? E ASN 59 ? E ASN 59 ? 1_555 79.1 ? 216 O ? E GLN 137 ? E GLN 137 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OD1 ? E ASN 59 ? E ASN 59 ? 1_555 113.8 ? 217 OE2 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OD1 ? E ASN 59 ? E ASN 59 ? 1_555 72.6 ? 218 OXT ? Y N7P . ? E N7P 208 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OD1 ? E ASP 58 ? E ASP 58 ? 1_555 131.6 ? 219 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OD1 ? E ASP 58 ? E ASP 58 ? 1_555 99.7 ? 220 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OD1 ? E ASP 58 ? E ASP 58 ? 1_555 147.8 ? 221 OD2 ? E ASP 58 ? E ASP 58 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OD1 ? E ASP 58 ? E ASP 58 ? 1_555 50.1 ? 222 O ? E GLN 137 ? E GLN 137 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OD1 ? E ASP 58 ? E ASP 58 ? 1_555 70.6 ? 223 OE2 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OD1 ? E ASP 58 ? E ASP 58 ? 1_555 121.1 ? 224 OD1 ? E ASN 59 ? E ASN 59 ? 1_555 CA ? W CA . ? E CA 206 ? 1_555 OD1 ? E ASP 58 ? E ASP 58 ? 1_555 79.0 ? 225 O ? DA HOH . ? E HOH 2185 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 O ? DA HOH . ? E HOH 2183 ? 1_555 96.8 ? 226 O ? DA HOH . ? E HOH 2185 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 163.4 ? 227 O ? DA HOH . ? E HOH 2183 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 88.3 ? 228 O ? DA HOH . ? E HOH 2185 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 122.5 ? 229 O ? DA HOH . ? E HOH 2183 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 90.5 ? 230 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 73.0 ? 231 O ? DA HOH . ? E HOH 2185 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 OD2 ? E ASP 138 ? E ASP 138 ? 1_555 76.9 ? 232 O ? DA HOH . ? E HOH 2183 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 OD2 ? E ASP 138 ? E ASP 138 ? 1_555 74.3 ? 233 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 OD2 ? E ASP 138 ? E ASP 138 ? 1_555 119.7 ? 234 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 OD2 ? E ASP 138 ? E ASP 138 ? 1_555 50.6 ? 235 O ? DA HOH . ? E HOH 2185 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 O ? Y N7P . ? E N7P 208 ? 1_555 87.3 ? 236 O ? DA HOH . ? E HOH 2183 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 O ? Y N7P . ? E N7P 208 ? 1_555 174.8 ? 237 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 O ? Y N7P . ? E N7P 208 ? 1_555 86.8 ? 238 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 O ? Y N7P . ? E N7P 208 ? 1_555 89.9 ? 239 OD2 ? E ASP 138 ? E ASP 138 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 O ? Y N7P . ? E N7P 208 ? 1_555 109.8 ? 240 O ? DA HOH . ? E HOH 2185 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 OE1 ? E GLN 148 ? E GLN 148 ? 1_555 77.6 ? 241 O ? DA HOH . ? E HOH 2183 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 OE1 ? E GLN 148 ? E GLN 148 ? 1_555 89.6 ? 242 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 OE1 ? E GLN 148 ? E GLN 148 ? 1_555 86.8 ? 243 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 OE1 ? E GLN 148 ? E GLN 148 ? 1_555 159.8 ? 244 OD2 ? E ASP 138 ? E ASP 138 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 OE1 ? E GLN 148 ? E GLN 148 ? 1_555 147.7 ? 245 O ? Y N7P . ? E N7P 208 ? 1_555 CA ? X CA . ? E CA 207 ? 1_555 OE1 ? E GLN 148 ? E GLN 148 ? 1_555 88.2 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2013-06-19 2 'Structure model' 1 1 2014-08-06 3 'Structure model' 1 2 2015-02-25 4 'Structure model' 1 3 2016-08-31 # _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' 'Database references' 3 4 'Structure model' 'Atomic model' 4 4 'Structure model' 'Derived calculations' 5 4 'Structure model' 'Non-polymer description' 6 4 'Structure model' Other # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal PHENIX refinement '(PHENIX.REFINE)' ? 1 MOSFLM 'data reduction' . ? 2 SCALA 'data scaling' . ? 3 MOLREP phasing . ? 4 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O C HOH 2252 ? ? O D HOH 2175 ? ? 1.83 2 1 O A HOH 2147 ? ? O A HOH 2172 ? ? 2.07 3 1 OE1 B GLU 126 ? ? O B HOH 2100 ? ? 2.08 4 1 O E HOH 2013 ? ? O E HOH 2030 ? ? 2.09 5 1 O E HOH 2014 ? ? O E HOH 2034 ? ? 2.12 6 1 O E HOH 2029 ? ? O E HOH 2030 ? ? 2.13 7 1 O A HOH 2116 ? ? O A HOH 2241 ? ? 2.14 8 1 CG E GLU 66 ? ? O E HOH 2113 ? ? 2.17 9 1 OE1 E GLN 174 ? ? O E HOH 2215 ? ? 2.18 10 1 OE1 C GLU 86 ? ? O C HOH 2126 ? ? 2.18 11 1 O A HOH 2121 ? ? O B HOH 2171 ? ? 2.18 # 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 PRO A 25 ? ? -86.31 44.45 2 1 ARG A 77 ? ? 75.98 -9.71 3 1 ALA A 187 ? ? -157.31 65.91 4 1 ARG B 77 ? ? 74.80 -12.65 5 1 ASP B 161 ? ? -89.89 30.43 6 1 ALA B 187 ? ? -157.12 63.79 7 1 ARG C 77 ? ? 80.33 -20.43 8 1 ALA C 187 ? ? -155.75 69.87 9 1 ARG D 77 ? ? 77.87 -15.96 10 1 ASP D 161 ? ? -90.35 30.86 11 1 ALA D 187 ? ? -155.36 64.58 12 1 PRO E 25 ? ? -80.05 41.99 13 1 ARG E 77 ? ? 80.15 -22.34 14 1 ASP E 161 ? ? -88.41 32.86 15 1 ALA E 187 ? ? -154.32 62.81 # 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 2118 ? 6.06 . 2 1 O ? E HOH 2078 ? 6.36 . # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 'CALCIUM ION' CA 4 1-ACETYL-L-PROLINE N7P 5 water HOH #