data_2epy_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2epy _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.547 ' CE1' ' HG3' ' A' ' 540' ' ' LYS . 60.3 m-70 -136.99 106.94 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -99.67 150.33 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.8 t -85.07 121.66 28.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -87.88 32.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -128.05 -54.68 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 27.0 p -105.94 -47.24 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.24 29.16 0.95 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.444 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . 0.555 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 35.7 mttt -88.66 173.63 8.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -138.26 142.71 39.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -142.6 133.24 25.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 62.9 m -86.47 23.16 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . 0.401 ' CB ' ' HG3' ' A' ' 542' ' ' GLN . 10.5 m-85 -152.06 111.31 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 25.4 ttpp -39.95 -55.24 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 61.0 p -52.34 -51.4 59.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . 0.401 ' HG3' ' CB ' ' A' ' 539' ' ' PHE . 45.2 mt-30 -48.61 -56.19 9.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 48.6 tp -49.89 -46.54 51.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 44.0 mt -60.21 -37.91 75.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.45 -30.38 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . 0.555 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 12.0 t60 -79.27 -49.0 13.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -49.36 -18.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -56.86 -29.87 63.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 21.0 pt -65.91 -29.52 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.865 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.819 0.343 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 77.1 m-70 -143.64 106.32 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.828 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -102.81 150.9 23.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 13.1 t -87.8 121.77 30.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -85.05 30.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -125.69 -52.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 24.3 p -110.02 -46.66 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.79 30.01 1.0 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 11.0 mttm -90.02 174.19 7.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -143.21 142.82 31.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.112 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . 0.496 ' CD1' HD13 ' A' ' 543' ' ' LEU . 14.3 m-85 -141.16 108.29 5.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 4.6 t -44.08 -26.89 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -104.46 139.04 39.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -63.72 -61.63 2.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 80.3 p -45.07 -52.06 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -45.07 -60.09 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 537' ' ' PHE . 14.4 tp -46.35 -50.6 16.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 62.8 mt -54.47 -41.0 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.37 -32.12 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . 0.417 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.3 t60 -75.03 -48.82 22.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -47.74 -21.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -52.91 -28.68 24.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 27.0 pt -67.97 -26.54 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.847 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.811 0.339 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.447 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 66.0 m-70 -141.03 105.78 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -103.22 140.36 37.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.7 t -76.82 120.41 21.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -84.29 33.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -129.23 -51.63 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 22.9 p -109.75 -47.61 3.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.24 27.55 1.09 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . 0.446 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 25.2 mttt -86.8 178.29 7.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -147.62 136.98 22.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 537' ' ' PHE . 8.9 m-85 -135.08 105.94 6.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 35.9 m -39.11 -32.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . 0.428 ' HB2' ' NE2' ' A' ' 542' ' ' GLN . 13.0 m-85 -100.9 142.91 31.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -64.6 -62.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.0 t -43.92 -52.66 6.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 539' ' ' PHE . 63.7 mt-30 -43.28 -58.36 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 28.2 tp -50.82 -48.67 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 68.0 mt -56.76 -33.95 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 91.8 mt -70.93 -34.15 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . 0.569 ' CE1' HD12 ' A' ' 549' ' ' ILE . 10.6 t60 -75.63 -46.89 29.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -50.12 -18.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -57.93 -27.35 63.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 546' ' ' HIS . 20.6 pt -68.23 -29.36 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.86 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.422 HD12 ' CA ' ' A' ' 538' ' ' SER . 9.5 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.83 0.348 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 49.7 m-70 -132.75 108.93 9.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 34.3 tt0 -101.66 156.4 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . 0.403 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 8.6 t -94.13 119.28 32.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -84.21 24.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -117.51 -53.5 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.5 p -108.46 -48.3 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.92 29.38 0.88 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . 0.566 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 15.5 mttm -89.3 169.59 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -132.31 144.81 50.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.076 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -144.88 128.82 17.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.422 ' CA ' HD12 ' A' ' 527' ' ' LEU . 3.5 m -84.57 25.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 540' ' ' LYS . 10.6 m-85 -154.11 105.03 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 539' ' ' PHE . 25.3 ttpt -35.01 -55.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 2.6 m -50.17 -52.7 33.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -47.91 -59.71 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 54.7 tp -45.75 -44.61 13.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 57.6 mt -62.03 -40.12 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 92.3 mt -66.64 -35.4 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . 0.566 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.4 t60 -71.3 -51.67 23.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -48.36 -19.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -55.4 -17.07 4.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 29.9 pt -80.22 -28.37 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.881 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.562 ' CE1' ' HG3' ' A' ' 540' ' ' LYS . 61.1 m-70 -135.03 102.96 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -99.71 146.93 25.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.9 t -85.61 118.89 25.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -84.21 34.99 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -130.43 -50.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.4 p -110.82 -48.23 3.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.71 35.25 0.61 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -97.58 176.31 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -145.68 137.33 25.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 539' ' ' PHE . 12.4 m-85 -134.92 101.05 4.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 537' ' ' PHE . 2.4 t -36.79 -30.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 537' ' ' PHE . 7.8 m-85 -102.81 136.9 41.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 5.3 ttpm? -61.98 -63.46 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 83.1 p -41.64 -48.35 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -50.03 -61.56 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 36.8 tp -44.96 -47.31 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 62.9 mt -57.19 -39.16 65.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.56 -38.17 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . 0.476 ' CE1' HD12 ' A' ' 549' ' ' ILE . 11.0 t60 -69.3 -51.5 36.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -45.65 -23.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -49.87 -33.45 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.476 HD12 ' CE1' ' A' ' 546' ' ' HIS . 23.8 pt -62.99 -31.2 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.872 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.848 0.356 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.46 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 61.2 m-70 -135.28 105.79 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -101.08 149.39 24.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 12.4 t -89.21 118.2 28.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -83.16 37.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -132.81 -53.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.7 p -108.79 -47.86 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.47 37.57 0.55 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -100.18 174.87 5.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -143.35 137.58 28.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 538' ' ' SER . 12.2 m-85 -134.93 100.83 4.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 537' ' ' PHE . 44.0 m -34.56 -35.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 537' ' ' PHE . 12.2 m-85 -96.71 142.78 28.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . 0.406 ' HB2' ' NE2' ' A' ' 528' ' ' HIS . 28.1 ttpt -66.5 -58.89 4.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 4.9 m -45.7 -51.47 12.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -45.69 -61.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 30.9 tp -47.01 -49.74 20.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.39 -39.12 51.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 89.1 mt -66.47 -39.24 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -69.75 -49.92 48.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -44.86 -23.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -50.93 -36.61 39.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 28.9 pt -57.07 -25.89 23.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.876 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 527' ' ' LEU . 3.2 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.464 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 71.7 m-70 -135.04 100.23 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -97.68 152.54 18.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 12.0 t -89.84 120.91 31.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -84.73 33.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -129.69 -51.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.4 p -110.69 -48.34 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.81 32.15 0.77 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -92.59 179.53 5.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -149.01 142.75 25.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.069 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -141.16 104.97 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 2.3 t -39.97 -31.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -101.58 134.94 43.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -59.34 -62.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 91.1 p -42.66 -49.56 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -48.38 -61.16 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 12.2 tp -46.05 -48.62 16.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 57.3 mt -56.53 -38.89 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.35 -31.84 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -75.69 -48.57 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -48.52 -19.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -55.32 -28.51 54.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 20.6 pt -69.99 -27.07 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.904 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 527' ' ' LEU . 5.5 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.842 0.354 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.447 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 73.0 m-70 -134.97 101.19 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -96.44 155.18 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.6 t -91.3 119.8 31.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -83.92 34.33 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -130.49 -49.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.8 p -113.21 -46.18 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.06 28.82 1.08 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . 0.497 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 26.7 mttp -87.79 175.2 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -145.08 142.67 29.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -141.92 107.8 5.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.412 ' CA ' HD13 ' A' ' 527' ' ' LEU . 1.4 t -45.72 -22.55 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . 0.422 ' HB2' ' CD ' ' A' ' 542' ' ' GLN . 5.9 m-85 -111.31 134.17 53.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -58.09 -64.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 6.1 m -40.63 -52.95 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . 0.422 ' CD ' ' HB2' ' A' ' 539' ' ' PHE . 73.3 mt-30 -46.12 -54.67 8.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 19.9 tp -52.1 -50.04 62.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 59.9 mt -54.96 -34.92 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 83.2 mt -68.56 -36.2 73.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . 0.497 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.1 t60 -74.41 -48.82 25.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.826 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -47.74 -20.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 -53.64 -31.81 48.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.813 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 22.2 pt -65.47 -26.75 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.922 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.832 0.348 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 59.2 m-70 -135.03 99.85 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -92.82 152.02 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 13.2 t -89.23 126.14 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -88.08 30.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -125.52 -48.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 20.7 p -114.02 -49.32 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 128.08 28.21 0.87 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -88.66 179.29 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . 0.461 ' C ' ' CD1' ' A' ' 537' ' ' PHE . . . -146.26 145.86 30.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 536' ' ' ALA . 5.3 m-85 -143.62 106.91 4.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 9.0 t -41.66 -27.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -105.66 136.25 45.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -61.22 -62.68 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 71.6 p -43.02 -48.53 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -49.24 -59.75 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 29.5 tp -46.62 -46.26 19.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 46.1 mt -60.51 -37.17 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.12 -29.78 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . 0.439 ' CE1' HD12 ' A' ' 549' ' ' ILE . 8.7 t60 -77.59 -46.48 22.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -50.02 -18.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -56.99 -22.75 40.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.439 HD12 ' CE1' ' A' ' 546' ' ' HIS . 20.7 pt -77.24 -21.23 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.869 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.401 ' N ' HD21 ' A' ' 527' ' ' LEU . 3.4 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.824 0.345 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.458 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 75.0 m-70 -136.22 121.38 19.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -113.9 151.19 32.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 5.4 t -91.48 110.35 21.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -71.87 1.35 7.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . 0.576 ' CB ' ' CD2' ' A' ' 550' ' ' HIS . 59.2 m-20 -91.19 -56.98 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.5 p -108.2 -48.14 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 127.42 26.09 1.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -83.97 179.83 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -144.11 135.29 25.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 539' ' ' PHE . 26.3 m-85 -135.02 100.08 4.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 537' ' ' PHE . 63.4 m -36.66 -33.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 537' ' ' PHE . 9.7 m-85 -98.85 138.71 35.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . 0.412 ' HB2' ' NE2' ' A' ' 528' ' ' HIS . 44.9 tttm -62.88 -56.03 20.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 82.7 p -48.7 -50.59 32.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -46.79 -60.65 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 19.0 tp -46.66 -48.59 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 57.3 mt -57.63 -41.18 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.08 -39.74 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . 0.484 ' CE1' HD11 ' A' ' 549' ' ' ILE . 10.7 t60 -67.24 -50.55 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -45.77 -24.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -48.53 -31.65 6.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.484 HD11 ' CE1' ' A' ' 546' ' ' HIS . 26.5 pt -65.42 -32.42 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.576 ' CD2' ' CB ' ' A' ' 532' ' ' ASN . 88.4 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 9.6 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.777 0.322 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.543 ' CE1' ' HG3' ' A' ' 540' ' ' LYS . 59.6 m-70 -135.03 102.82 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -96.37 151.35 19.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 10.1 t -90.36 118.53 29.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -83.64 35.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -131.1 -52.75 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.4 p -108.9 -48.24 3.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.48 37.08 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -100.48 178.39 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -146.71 143.6 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.098 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 537' ' ' PHE . 7.8 m-85 -141.44 105.08 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 537' ' ' PHE . 49.9 m -37.78 -35.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -96.81 142.08 29.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 47.7 tttm -69.17 -51.19 40.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 60.6 p -52.1 -47.77 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -51.19 -58.95 4.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 24.6 tp -45.15 -48.34 12.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 58.2 mt -56.15 -41.85 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.61 -36.65 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -72.35 -51.57 19.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -47.41 -21.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -53.24 -32.73 49.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 550' ' ' HIS . 25.3 pt -61.25 -33.11 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.422 ' N ' HG13 ' A' ' 549' ' ' ILE . 81.7 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.402 HD11 ' CA ' ' A' ' 538' ' ' SER . 4.4 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.793 0.33 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.541 ' CE1' ' HG3' ' A' ' 540' ' ' LYS . 55.6 m-70 -134.98 98.05 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -95.97 137.64 34.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.8 t -74.61 124.93 27.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -89.6 34.9 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -131.24 -48.14 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.2 p -112.84 -47.09 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.87 31.58 0.86 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -91.41 179.18 5.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.773 0.32 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -148.73 133.79 18.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . 0.533 ' CD1' HD11 ' A' ' 543' ' ' LEU . 18.1 m-85 -133.1 100.39 4.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 537' ' ' PHE . 67.8 m -34.52 -34.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 537' ' ' PHE . 6.3 m-85 -97.91 143.44 28.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . 0.541 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 36.2 tttm -66.95 -58.62 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 79.3 p -46.67 -50.71 17.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -46.79 -56.2 6.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.533 HD11 ' CD1' ' A' ' 537' ' ' PHE . 24.0 tp -50.79 -48.74 59.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 59.9 mt -57.23 -36.8 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 94.5 mt -68.43 -31.77 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -76.03 -48.64 20.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -48.97 -19.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -55.58 -21.01 15.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 24.2 pt -78.93 -21.4 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 179.91 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.464 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 43.5 m-70 -131.34 104.82 7.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 35.7 tt0 -100.3 154.54 18.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . 0.425 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 5.7 t -90.75 118.47 30.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -84.43 32.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -128.09 -52.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.39 -47.78 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.68 33.57 0.75 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . 0.561 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 23.9 mttp -93.75 169.43 10.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -131.58 143.24 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -142.81 128.67 19.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 28.8 m -84.22 23.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 540' ' ' LYS . 11.5 m-85 -153.2 108.61 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 539' ' ' PHE . 49.3 tttm -37.52 -57.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.3 m -47.65 -53.54 14.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -47.49 -59.76 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 58.2 tp -46.41 -45.81 18.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 53.8 mt -60.94 -37.84 77.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 79.1 mt -68.57 -38.66 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . 0.561 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.6 t60 -69.77 -49.05 56.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -47.83 -19.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -54.59 -30.94 56.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 24.0 pt -66.26 -20.47 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.881 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.562 ' CE1' ' HG3' ' A' ' 540' ' ' LYS . 58.7 m-70 -134.98 95.86 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -91.18 148.92 22.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 14.8 t -85.9 120.35 27.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -84.02 35.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -131.36 -50.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.49 -47.99 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.87 29.4 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -88.45 175.3 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -144.23 134.68 24.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 538' ' ' SER . 9.5 m-85 -134.13 101.28 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 537' ' ' PHE . 36.8 m -34.88 -36.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 537' ' ' PHE . 12.2 m-85 -98.45 141.36 31.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 26.2 tttp -64.93 -59.08 4.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 84.7 p -45.54 -49.99 13.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -47.96 -60.25 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 23.1 tp -45.8 -49.78 14.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 56.8 mt -55.09 -39.54 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.6 -36.95 78.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -70.96 -46.91 61.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -50.39 -18.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 29.4 mtp85 -57.47 -20.41 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 21.7 pt -78.92 -26.01 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.872 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.407 HD12 ' CA ' ' A' ' 538' ' ' SER . 8.4 mt . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.874 0.369 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 540' ' ' LYS . 68.2 m-70 -136.38 106.9 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 15.9 tt0 -99.04 151.06 21.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . 0.434 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 20.0 t -87.6 121.28 29.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -84.4 31.89 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . 0.443 ' HB3' ' CD2' ' A' ' 550' ' ' HIS . 0.3 OUTLIER -127.07 -54.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.4 p -108.3 -48.19 3.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.91 34.09 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -95.69 -179.93 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . 0.497 ' C ' ' CD1' ' A' ' 537' ' ' PHE . . . -144.13 148.11 34.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 536' ' ' ALA . 6.9 m-85 -146.56 105.05 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.407 ' CA ' HD12 ' A' ' 527' ' ' LEU . 43.1 m -38.16 -37.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -95.83 143.8 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 16.1 ttpt -68.17 -55.38 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 60.7 p -48.7 -48.63 40.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -48.93 -60.35 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 28.5 tp -46.3 -47.69 18.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 60.0 mt -57.74 -41.76 80.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.21 -32.93 59.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . 0.578 ' CE1' HD13 ' A' ' 549' ' ' ILE . 15.5 t60 -72.56 -50.94 22.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -47.64 -20.14 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -52.49 -28.88 22.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.578 HD13 ' CE1' ' A' ' 546' ' ' HIS . 24.7 pt -67.18 -29.15 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.443 ' CD2' ' HB3' ' A' ' 532' ' ' ASN . 77.3 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.448 HD13 ' CA ' ' A' ' 538' ' ' SER . 8.5 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.888 0.375 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 51.2 m-70 -133.93 104.77 6.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -101.03 146.18 27.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 6.3 t -83.78 119.97 25.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -84.93 12.96 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -103.42 -53.34 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.7 p -108.54 -46.73 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.7 25.79 1.22 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . 0.533 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 19.9 mttm -84.07 175.04 9.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.751 0.31 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -138.89 140.86 38.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.11 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -142.15 129.45 21.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.448 ' CA ' HD13 ' A' ' 527' ' ' LEU . 39.3 m -84.63 25.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 540' ' ' LYS . 9.2 m-85 -155.44 106.86 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 539' ' ' PHE . 56.4 tttt -35.28 -56.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 39.8 m -49.55 -52.9 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -47.75 -56.25 7.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 52.4 tp -50.95 -45.85 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 51.9 mt -61.08 -36.42 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 95.4 mt -69.17 -35.57 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . 0.533 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.8 t60 -73.73 -50.4 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -47.02 -22.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -53.66 -34.49 58.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 19.1 pt -61.85 -28.84 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.465 ' CE1' ' HG3' ' A' ' 540' ' ' LYS . 55.7 m-70 -134.96 102.0 5.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -94.88 150.5 20.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 14.0 t -89.67 121.29 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -84.53 31.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -126.79 -52.56 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.3 p -109.75 -48.53 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.5 32.27 0.73 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -93.56 -179.68 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -149.26 142.83 25.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 537' ' ' PHE . 8.6 m-85 -141.32 105.33 4.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 13.8 m -38.09 -34.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -97.95 139.48 33.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . 0.465 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 57.6 tttt -64.61 -55.43 20.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 15.5 m -49.28 -50.54 38.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -47.19 -55.02 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 25.5 tp -51.38 -47.13 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 56.5 mt -58.35 -36.92 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 76.8 mt -67.55 -34.86 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -71.53 -51.78 21.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -46.11 -21.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 28.8 mtp85 -50.38 -24.5 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 24.7 pt -73.89 -31.44 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.903 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . 0.462 HD12 ' CA ' ' A' ' 538' ' ' SER . 6.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.855 0.36 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.481 ' CE1' ' HG3' ' A' ' 540' ' ' LYS . 54.8 m-70 -137.98 105.01 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -96.54 150.68 20.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.7 t -90.12 121.5 32.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -85.03 28.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . 0.44 HD21 ' CG ' ' A' ' 550' ' ' HIS . 35.7 m-20 -122.86 -51.41 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 24.9 p -110.77 -46.82 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 127.05 13.84 2.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -74.08 163.03 28.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.735 0.302 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -128.83 141.0 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -138.27 134.6 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.462 ' CA ' HD12 ' A' ' 527' ' ' LEU . 59.4 m -87.99 25.29 1.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 540' ' ' LYS . 9.1 m-85 -157.19 107.86 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . 0.481 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 51.8 tttp -35.67 -57.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 4.2 m -47.82 -53.27 16.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -47.87 -57.45 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 38.4 tp -50.19 -44.15 52.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 56.3 mt -62.79 -36.85 77.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 97.5 mt -69.13 -32.76 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -74.78 -51.29 14.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -48.05 -19.62 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -55.68 -16.45 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 21.0 pt -83.14 -27.79 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.44 ' CG ' HD21 ' A' ' 532' ' ' ASN . 88.5 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.848 0.356 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.486 ' CE1' ' HG3' ' A' ' 540' ' ' LYS . 75.6 m-70 -135.02 98.74 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -96.89 148.02 23.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 7.1 t -85.47 122.72 30.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -86.29 19.33 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -113.09 -47.97 3.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 27.0 p -113.16 -48.11 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.44 30.8 0.88 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -92.31 -179.86 5.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . 0.426 ' C ' ' CD1' ' A' ' 537' ' ' PHE . . . -147.25 141.61 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . 0.469 ' N ' ' CD1' ' A' ' 537' ' ' PHE . 2.9 m-85 -140.32 105.71 5.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 60.2 m -41.07 -33.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -97.95 139.36 33.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . 0.486 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 75.9 tttt -65.81 -54.49 26.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 92.4 p -50.79 -49.62 57.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -48.26 -58.09 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 13.4 tp -47.67 -49.25 28.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 60.4 mt -55.68 -39.75 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 90.5 mt -65.83 -33.01 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 537' ' ' PHE . 9.9 t60 -73.59 -51.03 18.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -48.28 -19.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -55.04 -22.46 15.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 29.3 pt -75.14 -29.45 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.865 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 528' ' ' HIS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 56.4 m-70 -138.62 104.97 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -95.98 154.41 17.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 13.3 t -94.11 117.58 30.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -83.25 36.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 532' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 550' ' ' HIS . 3.6 t-20 -132.69 -52.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 29.0 p -109.74 -47.47 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.31 26.62 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -89.28 157.52 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -123.09 137.36 54.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 537' ' ' PHE . . . . . 0.4 ' CE1' HD13 ' A' ' 543' ' ' LEU . 24.8 m-85 -133.34 131.04 39.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 538' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 539' ' ' PHE . 1.1 t -84.32 23.7 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 538' ' ' SER . 15.1 m-85 -155.13 106.12 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 540' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 539' ' ' PHE . 23.9 ttpt -34.79 -57.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 35.2 p -47.92 -53.52 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -47.08 -59.47 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 49.2 tp -47.66 -46.24 28.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.59 -36.76 72.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 79.9 mt -70.11 -36.07 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -70.39 -49.63 47.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -46.98 -22.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -50.71 -17.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.479 HD12 ' CE1' ' A' ' 550' ' ' HIS . 33.4 pt -81.57 -31.94 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.479 ' CE1' HD12 ' A' ' 549' ' ' ILE . 60.5 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 49.7 m -141.68 121.07 13.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 36.6 t -58.71 128.58 37.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 160.2 57.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 79.2 p -90.22 115.56 27.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.369 . . . . 0.0 110.906 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 2.9 m -107.12 154.02 21.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 60.95 176.15 1.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -70.21 143.11 52.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.944 0.402 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -85.01 83.84 7.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 7.7 mt -73.49 -43.14 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.547 ' CE1' ' HG3' ' A' ' 540' ' ' LYS . 60.3 m-70 -136.99 106.94 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -99.67 150.33 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.8 t -85.07 121.66 28.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -87.88 32.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -128.05 -54.68 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 27.0 p -105.94 -47.24 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.24 29.16 0.95 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.444 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.555 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 35.7 mttt -88.66 173.63 8.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -138.26 142.71 39.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -142.6 133.24 25.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 62.9 m -86.47 23.16 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . 0.401 ' CB ' ' HG3' ' A' ' 542' ' ' GLN . 10.5 m-85 -152.06 111.31 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 25.4 ttpp -39.95 -55.24 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 61.0 p -52.34 -51.4 59.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.401 ' HG3' ' CB ' ' A' ' 539' ' ' PHE . 45.2 mt-30 -48.61 -56.19 9.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 48.6 tp -49.89 -46.54 51.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 44.0 mt -60.21 -37.91 75.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.45 -30.38 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . 0.555 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 12.0 t60 -79.27 -49.0 13.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -49.36 -18.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . 0.426 ' HB3' ' CG ' ' A' ' 553' ' ' GLU . 33.6 mtm180 -56.86 -29.87 63.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 21.0 pt -65.91 -29.52 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -82.65 -33.75 27.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 11.6 t -99.9 173.64 6.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -90.32 113.73 4.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . 0.426 ' CG ' ' HB3' ' A' ' 548' ' ' ARG . 30.4 mt-10 -80.87 178.24 8.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 88.2 p -146.25 111.36 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -161.29 -158.23 9.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 162.62 41.38 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 1.1 t -83.82 129.63 34.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 13.1 t -160.81 143.72 12.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.416 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 2.6 m -159.4 137.3 10.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 35.5 p -73.06 -57.3 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -131.7 166.44 23.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 88.3 p -102.47 85.36 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 0.0 110.833 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 93.4 p -95.98 159.07 15.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -167.73 81.19 0.1 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -124.86 111.14 15.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.92 50.53 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 3.2 mt -44.12 -33.87 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 77.1 m-70 -143.64 106.32 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.828 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -102.81 150.9 23.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 13.1 t -87.8 121.77 30.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -85.05 30.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -125.69 -52.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 24.3 p -110.02 -46.66 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.79 30.01 1.0 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 11.0 mttm -90.02 174.19 7.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -143.21 142.82 31.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.112 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . 0.496 ' CD1' HD13 ' A' ' 543' ' ' LEU . 14.3 m-85 -141.16 108.29 5.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 4.6 t -44.08 -26.89 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -104.46 139.04 39.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -63.72 -61.63 2.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 80.3 p -45.07 -52.06 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -45.07 -60.09 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 537' ' ' PHE . 14.4 tp -46.35 -50.6 16.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 62.8 mt -54.47 -41.0 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.37 -32.12 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . 0.417 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.3 t60 -75.03 -48.82 22.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -47.74 -21.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -52.91 -28.68 24.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 27.0 pt -67.97 -26.54 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 551' ' ' THR . 83.9 m-70 -85.73 -67.08 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 550' ' ' HIS . 15.1 t -34.44 -47.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . 0.433 ' N ' ' CG2' ' A' ' 551' ' ' THR . . . 142.36 -59.64 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -40.15 144.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 43.1 t -76.09 112.56 12.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.815 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -119.38 153.13 16.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.449 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 176.63 6.5 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.352 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 3.4 m 56.65 41.3 28.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 69.5 m -73.13 171.98 11.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.475 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 2.3 m -122.34 83.19 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.882 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 36.0 t -74.74 99.57 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -131.01 -161.1 10.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 39.6 m -111.37 113.62 26.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.351 . . . . 0.0 110.841 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 90.4 p -88.57 -42.72 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 143.08 -65.2 0.48 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.29 121.06 26.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -91.85 75.17 5.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 4.5 mt -43.99 -45.72 7.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.447 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 66.0 m-70 -141.03 105.78 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -103.22 140.36 37.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.7 t -76.82 120.41 21.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -84.29 33.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -129.23 -51.63 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 22.9 p -109.75 -47.61 3.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.24 27.55 1.09 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.446 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 25.2 mttt -86.8 178.29 7.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -147.62 136.98 22.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 537' ' ' PHE . 8.9 m-85 -135.08 105.94 6.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 35.9 m -39.11 -32.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . 0.428 ' HB2' ' NE2' ' A' ' 542' ' ' GLN . 13.0 m-85 -100.9 142.91 31.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -64.6 -62.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.0 t -43.92 -52.66 6.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 539' ' ' PHE . 63.7 mt-30 -43.28 -58.36 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 28.2 tp -50.82 -48.67 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 68.0 mt -56.76 -33.95 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 91.8 mt -70.93 -34.15 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . 0.569 ' CE1' HD12 ' A' ' 549' ' ' ILE . 10.6 t60 -75.63 -46.89 29.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -50.12 -18.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -57.93 -27.35 63.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 546' ' ' HIS . 20.6 pt -68.23 -29.36 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -78.36 -52.88 7.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 5.9 t -72.32 -0.96 13.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 85.51 121.44 1.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -93.06 115.56 28.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 1.3 t -111.33 151.87 27.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 139.49 -174.14 22.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.36 37.58 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 29.2 m -85.73 176.53 8.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 559' ' ' GLY . 73.3 m -107.48 134.27 50.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 558' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.521 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 2.4 t -113.28 88.19 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.939 0.399 . . . . 0.0 110.903 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 12.5 t -171.49 130.27 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -124.68 -140.57 5.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 38.3 m -63.8 126.2 26.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 8.4 m -69.35 -51.05 40.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -144.98 -113.12 0.84 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.531 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -82.7 137.24 34.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.956 0.407 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -76.65 84.99 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.422 HD12 ' CA ' ' A' ' 538' ' ' SER . 9.5 mt -75.74 -48.53 21.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 49.7 m-70 -132.75 108.93 9.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 34.3 tt0 -101.66 156.4 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . 0.403 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 8.6 t -94.13 119.28 32.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -84.21 24.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -117.51 -53.5 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.5 p -108.46 -48.3 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.92 29.38 0.88 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.566 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 15.5 mttm -89.3 169.59 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -132.31 144.81 50.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.076 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -144.88 128.82 17.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.422 ' CA ' HD12 ' A' ' 527' ' ' LEU . 3.5 m -84.57 25.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 540' ' ' LYS . 10.6 m-85 -154.11 105.03 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 539' ' ' PHE . 25.3 ttpt -35.01 -55.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 2.6 m -50.17 -52.7 33.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -47.91 -59.71 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 54.7 tp -45.75 -44.61 13.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 57.6 mt -62.03 -40.12 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 92.3 mt -66.64 -35.4 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . 0.566 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.4 t60 -71.3 -51.67 23.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -48.36 -19.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -55.4 -17.07 4.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 29.9 pt -80.22 -28.37 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -82.65 -61.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 14.4 t -42.68 -36.03 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 145.31 -93.33 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 62.84 47.99 4.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 4.9 t -135.83 122.41 20.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -152.24 -161.53 10.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 2.44 3.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.39 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 94.9 p -76.6 168.41 20.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 81.6 p -123.93 112.39 17.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.526 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 2.9 t -84.81 148.42 26.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 62.3 m -135.18 140.89 45.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -168.33 46.69 0.23 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 11.0 t -138.15 118.75 13.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 28.3 t -114.14 90.79 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 54.12 -159.05 5.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 41.96 46.48 3.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.369 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.24 101.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.67 -48.05 78.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.562 ' CE1' ' HG3' ' A' ' 540' ' ' LYS . 61.1 m-70 -135.03 102.96 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -99.71 146.93 25.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.9 t -85.61 118.89 25.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -84.21 34.99 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -130.43 -50.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.4 p -110.82 -48.23 3.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.71 35.25 0.61 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -97.58 176.31 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -145.68 137.33 25.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 539' ' ' PHE . 12.4 m-85 -134.92 101.05 4.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 537' ' ' PHE . 2.4 t -36.79 -30.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 537' ' ' PHE . 7.8 m-85 -102.81 136.9 41.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 5.3 ttpm? -61.98 -63.46 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 83.1 p -41.64 -48.35 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -50.03 -61.56 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 36.8 tp -44.96 -47.31 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 62.9 mt -57.19 -39.16 65.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.56 -38.17 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . 0.476 ' CE1' HD12 ' A' ' 549' ' ' ILE . 11.0 t60 -69.3 -51.5 36.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -45.65 -23.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -49.87 -33.45 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.476 HD12 ' CE1' ' A' ' 546' ' ' HIS . 23.8 pt -62.99 -31.2 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -77.35 -56.58 4.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 14.9 t -56.53 -42.71 78.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 135.01 133.82 3.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.521 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -146.33 120.86 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 95.6 p -99.66 -45.29 5.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -59.88 -94.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 143.32 50.27 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.258 . . . . 0.0 112.333 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 77.2 p -173.32 125.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 63.7 p -170.06 155.5 5.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 71.7 m -108.71 149.16 29.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 4.1 m -99.41 168.16 10.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -109.06 -158.74 18.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 27.1 m 57.26 44.69 21.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.865 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 56.5 p -98.21 132.76 43.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -162.98 -131.09 1.18 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -138.77 148.7 44.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.976 0.417 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -117.88 83.66 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 5.7 mt -47.99 -49.16 31.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.46 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 61.2 m-70 -135.28 105.79 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -101.08 149.39 24.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 12.4 t -89.21 118.2 28.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -83.16 37.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -132.81 -53.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.7 p -108.79 -47.86 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.47 37.57 0.55 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -100.18 174.87 5.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -143.35 137.58 28.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 538' ' ' SER . 12.2 m-85 -134.93 100.83 4.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 537' ' ' PHE . 44.0 m -34.56 -35.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 537' ' ' PHE . 12.2 m-85 -96.71 142.78 28.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . 0.406 ' HB2' ' NE2' ' A' ' 528' ' ' HIS . 28.1 ttpt -66.5 -58.89 4.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 4.9 m -45.7 -51.47 12.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -45.69 -61.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 30.9 tp -47.01 -49.74 20.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.39 -39.12 51.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 89.1 mt -66.47 -39.24 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -69.75 -49.92 48.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -44.86 -23.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -50.93 -36.61 39.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 28.9 pt -57.07 -25.89 23.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 552' ' ' GLY . 78.7 m-70 -89.08 -59.4 2.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 552' ' ' GLY . 3.0 t -37.84 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 550' ' ' HIS . . . 167.82 -50.76 0.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 552' ' ' GLY . 20.4 mt-10 -34.5 114.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.371 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 85.5 p -96.64 122.67 39.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -139.53 83.86 0.23 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 93.49 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.392 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 8.2 t -157.28 149.46 22.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 96.4 p -155.06 123.24 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 7.7 t -146.72 109.84 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 8.5 t -92.05 139.04 31.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -128.56 -88.59 0.57 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 8.4 m -156.34 160.99 40.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.894 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 78.2 p -87.25 159.12 18.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -118.84 -121.49 3.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -100.48 132.81 45.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -77.36 94.24 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 527' ' ' LEU . 3.2 mt -62.0 -50.27 72.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.464 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 71.7 m-70 -135.04 100.23 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -97.68 152.54 18.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 12.0 t -89.84 120.91 31.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -84.73 33.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -129.69 -51.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.4 p -110.69 -48.34 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.81 32.15 0.77 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -92.59 179.53 5.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -149.01 142.75 25.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.069 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -141.16 104.97 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 2.3 t -39.97 -31.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -101.58 134.94 43.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -59.34 -62.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 91.1 p -42.66 -49.56 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -48.38 -61.16 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 12.2 tp -46.05 -48.62 16.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 57.3 mt -56.53 -38.89 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.35 -31.84 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -75.69 -48.57 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -48.52 -19.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -55.32 -28.51 54.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 20.6 pt -69.99 -27.07 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -82.36 -54.88 4.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 11.9 t -68.83 -11.68 60.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 71.22 99.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.454 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -133.67 174.36 10.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 85.1 p -58.61 133.84 56.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 166.13 144.94 4.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -9.67 26.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 37.1 m -93.7 -55.11 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 27.4 t -88.76 150.31 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 44.8 m 53.43 45.24 28.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 3.1 m -85.74 150.12 24.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 171.8 -42.68 0.18 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 1.3 t -63.33 136.39 57.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 3.5 t -115.27 41.52 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 136.91 114.2 1.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -71.4 143.28 50.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -119.55 83.42 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 527' ' ' LEU . 5.5 mt -47.33 -52.29 16.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.447 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 73.0 m-70 -134.97 101.19 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -96.44 155.18 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.6 t -91.3 119.8 31.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -83.92 34.33 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -130.49 -49.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.8 p -113.21 -46.18 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.06 28.82 1.08 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.497 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 26.7 mttp -87.79 175.2 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -145.08 142.67 29.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -141.92 107.8 5.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.412 ' CA ' HD13 ' A' ' 527' ' ' LEU . 1.4 t -45.72 -22.55 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . 0.422 ' HB2' ' CD ' ' A' ' 542' ' ' GLN . 5.9 m-85 -111.31 134.17 53.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -58.09 -64.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 6.1 m -40.63 -52.95 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.422 ' CD ' ' HB2' ' A' ' 539' ' ' PHE . 73.3 mt-30 -46.12 -54.67 8.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 19.9 tp -52.1 -50.04 62.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 59.9 mt -54.96 -34.92 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 83.2 mt -68.56 -36.2 73.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . 0.497 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.1 t60 -74.41 -48.82 25.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.826 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -47.74 -20.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 553' ' ' GLU . 42.1 mtp85 -53.64 -31.81 48.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 22.2 pt -65.47 -26.75 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -83.54 -41.21 18.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 14.7 t -90.15 39.37 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 55.47 72.6 0.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 548' ' ' ARG . 15.8 tt0 -46.73 116.59 1.37 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 6.1 m -92.9 79.06 4.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -145.64 145.57 14.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -36.54 10.62 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 10.1 t -87.45 89.22 7.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 3.3 t -54.73 150.43 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.475 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 65.4 m -79.08 -48.0 15.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 3.1 t -45.28 133.25 7.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -74.04 151.31 43.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 83.8 p -82.22 92.23 6.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.885 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 77.6 p -64.71 135.23 55.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 161.45 -69.97 0.23 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -133.81 169.28 17.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.948 0.404 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 526' ' ' LYS . 1.7 mptp? -114.12 51.21 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 6.5 mt -40.41 -45.59 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 59.2 m-70 -135.03 99.85 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -92.82 152.02 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 13.2 t -89.23 126.14 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -88.08 30.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -125.52 -48.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 20.7 p -114.02 -49.32 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 128.08 28.21 0.87 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -88.66 179.29 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . 0.461 ' C ' ' CD1' ' A' ' 537' ' ' PHE . . . -146.26 145.86 30.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 536' ' ' ALA . 5.3 m-85 -143.62 106.91 4.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 9.0 t -41.66 -27.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -105.66 136.25 45.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -61.22 -62.68 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 71.6 p -43.02 -48.53 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -49.24 -59.75 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 29.5 tp -46.62 -46.26 19.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 46.1 mt -60.51 -37.17 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.12 -29.78 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . 0.439 ' CE1' HD12 ' A' ' 549' ' ' ILE . 8.7 t60 -77.59 -46.48 22.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -50.02 -18.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -56.99 -22.75 40.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.439 HD12 ' CE1' ' A' ' 546' ' ' HIS . 20.7 pt -77.24 -21.23 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -84.91 -67.7 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' THR . . . . . 0.449 HG21 ' N ' ' A' ' 552' ' ' GLY . 10.2 t -40.98 -45.82 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.109 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . 0.449 ' N ' HG21 ' A' ' 551' ' ' THR . . . 124.56 66.35 0.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -174.6 129.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.936 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 77.7 p -134.58 86.52 2.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -72.11 -96.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.446 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 171.4 14.48 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.395 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 10.1 t 61.62 47.24 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 32.5 p -139.24 130.0 26.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 84.5 p -128.03 95.91 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.849 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 7.6 t -163.88 142.57 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 177.82 120.34 0.64 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 3.9 m -107.67 116.1 31.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 0.0 110.861 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 73.8 m -65.47 113.29 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -125.5 -124.71 2.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -119.62 116.77 26.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . 0.418 ' NZ ' ' HG3' ' A' ' 529' ' ' GLU . 1.5 mtpm? -94.0 96.63 9.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.401 ' N ' HD21 ' A' ' 527' ' ' LEU . 3.4 mt -61.01 -51.24 70.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.458 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 75.0 m-70 -136.22 121.38 19.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.418 ' HG3' ' NZ ' ' A' ' 526' ' ' LYS . 39.7 tt0 -113.9 151.19 32.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 5.4 t -91.48 110.35 21.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -71.87 1.35 7.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . 0.576 ' CB ' ' CD2' ' A' ' 550' ' ' HIS . 59.2 m-20 -91.19 -56.98 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.5 p -108.2 -48.14 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 127.42 26.09 1.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -83.97 179.83 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -144.11 135.29 25.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 539' ' ' PHE . 26.3 m-85 -135.02 100.08 4.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 537' ' ' PHE . 63.4 m -36.66 -33.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 537' ' ' PHE . 9.7 m-85 -98.85 138.71 35.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . 0.412 ' HB2' ' NE2' ' A' ' 528' ' ' HIS . 44.9 tttm -62.88 -56.03 20.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 82.7 p -48.7 -50.59 32.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -46.79 -60.65 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 19.0 tp -46.66 -48.59 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 57.3 mt -57.63 -41.18 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.08 -39.74 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . 0.484 ' CE1' HD11 ' A' ' 549' ' ' ILE . 10.7 t60 -67.24 -50.55 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -45.77 -24.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -48.53 -31.65 6.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.484 HD11 ' CE1' ' A' ' 546' ' ' HIS . 26.5 pt -65.42 -32.42 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.576 ' CD2' ' CB ' ' A' ' 532' ' ' ASN . 88.4 m-70 -77.89 -47.02 19.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 14.2 t -78.9 44.45 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 38.98 92.43 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -47.73 -45.57 28.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.88 0.371 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 1.7 t 65.37 42.21 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -109.64 -158.19 17.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 144.19 53.43 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 49.6 m -83.92 93.52 8.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 28.1 t -162.7 108.59 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.555 179.954 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 23.4 p -39.51 142.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 17.2 p -93.71 -30.9 14.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 116.34 57.8 0.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 49.7 p -157.13 138.96 14.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.393 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 4.3 m -87.45 99.11 11.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 71.67 -159.06 53.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -169.69 117.28 0.59 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.47 76.89 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.97 -41.99 77.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.543 ' CE1' ' HG3' ' A' ' 540' ' ' LYS . 59.6 m-70 -135.03 102.82 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -96.37 151.35 19.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 10.1 t -90.36 118.53 29.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -83.64 35.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -131.1 -52.75 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.4 p -108.9 -48.24 3.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.48 37.08 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -100.48 178.39 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -146.71 143.6 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.098 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 537' ' ' PHE . 7.8 m-85 -141.44 105.08 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 537' ' ' PHE . 49.9 m -37.78 -35.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -96.81 142.08 29.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 47.7 tttm -69.17 -51.19 40.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 60.6 p -52.1 -47.77 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -51.19 -58.95 4.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 24.6 tp -45.15 -48.34 12.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 58.2 mt -56.15 -41.85 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.61 -36.65 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -72.35 -51.57 19.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -47.41 -21.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . 0.462 ' HB3' ' CG ' ' A' ' 553' ' ' GLU . 27.6 mtt180 -53.24 -32.73 49.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 550' ' ' HIS . 25.3 pt -61.25 -33.11 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.422 ' N ' HG13 ' A' ' 549' ' ' ILE . 81.7 m-70 -75.98 -63.52 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.5 t -51.99 -22.31 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 108.95 122.58 4.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.477 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . 0.462 ' CG ' ' HB3' ' A' ' 548' ' ' ARG . 23.2 mt-10 -117.26 161.38 19.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 50.8 m -84.15 -57.07 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 126.58 84.57 0.52 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -47.96 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.262 . . . . 0.0 112.327 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 70.5 p -124.6 158.8 32.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 8.5 t -103.72 100.4 10.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 12.2 t 67.16 42.26 2.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 3.2 m -146.88 112.65 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 99.35 74.98 1.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 523' ' ' SER . 4.5 t -108.83 120.83 43.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.364 . . . . 0.0 110.878 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 522' ' ' SER . 71.4 m -35.61 139.1 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -118.66 147.43 18.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -51.23 155.43 1.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.389 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -95.28 114.21 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.402 HD11 ' CA ' ' A' ' 538' ' ' SER . 4.4 mt -75.21 -48.28 24.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.541 ' CE1' ' HG3' ' A' ' 540' ' ' LYS . 55.6 m-70 -134.98 98.05 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -95.97 137.64 34.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.8 t -74.61 124.93 27.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -89.6 34.9 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -131.24 -48.14 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.2 p -112.84 -47.09 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.87 31.58 0.86 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -91.41 179.18 5.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.773 0.32 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -148.73 133.79 18.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . 0.533 ' CD1' HD11 ' A' ' 543' ' ' LEU . 18.1 m-85 -133.1 100.39 4.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 537' ' ' PHE . 67.8 m -34.52 -34.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 537' ' ' PHE . 6.3 m-85 -97.91 143.44 28.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . 0.541 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 36.2 tttm -66.95 -58.62 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 79.3 p -46.67 -50.71 17.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -46.79 -56.2 6.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.533 HD11 ' CD1' ' A' ' 537' ' ' PHE . 24.0 tp -50.79 -48.74 59.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 59.9 mt -57.23 -36.8 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 94.5 mt -68.43 -31.77 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -76.03 -48.64 20.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -48.97 -19.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -55.58 -21.01 15.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 24.2 pt -78.93 -21.4 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 551' ' ' THR . 83.2 m-70 -90.16 -65.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 550' ' ' HIS . 5.2 t -35.19 -43.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 553' ' ' GLU . . . 119.03 -36.57 3.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 552' ' ' GLY . 8.3 pt-20 -36.14 146.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 60.0 m -59.27 178.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -174.93 177.5 46.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 97.52 0.64 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.375 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 1.1 t -126.07 42.54 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 1.1 t 42.17 43.08 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 16.1 m -100.64 82.82 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 79.0 p -96.73 173.81 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 123.28 166.91 12.73 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 24.5 m -159.6 166.13 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 6.3 t -63.92 150.93 43.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -81.41 37.11 2.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -145.11 160.61 41.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.383 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.85 52.91 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 4.4 mt -43.76 -49.73 7.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.464 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 43.5 m-70 -131.34 104.82 7.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 35.7 tt0 -100.3 154.54 18.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . 0.425 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 5.7 t -90.75 118.47 30.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -84.43 32.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -128.09 -52.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.39 -47.78 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.68 33.57 0.75 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.561 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 23.9 mttp -93.75 169.43 10.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -131.58 143.24 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -142.81 128.67 19.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 28.8 m -84.22 23.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 540' ' ' LYS . 11.5 m-85 -153.2 108.61 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 539' ' ' PHE . 49.3 tttm -37.52 -57.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.3 m -47.65 -53.54 14.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -47.49 -59.76 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 58.2 tp -46.41 -45.81 18.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 53.8 mt -60.94 -37.84 77.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 79.1 mt -68.57 -38.66 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . 0.561 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.6 t60 -69.77 -49.05 56.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -47.83 -19.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -54.59 -30.94 56.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 24.0 pt -66.26 -20.47 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -92.82 -25.69 18.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 2.5 t -108.53 127.85 54.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 553' ' ' GLU . . . 70.65 -68.22 0.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 552' ' ' GLY . 15.3 mm-40 -35.5 134.03 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.893 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 14.4 m -133.97 101.99 5.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 143.63 85.18 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -49.54 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 1.6 t 45.06 43.69 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 39.4 m -116.56 -61.41 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.52 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 37.1 p -69.73 99.69 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.899 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 3.1 m -75.69 -46.32 31.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 85.68 -137.31 15.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 6.5 t -126.14 159.75 32.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.89 0.376 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 3.9 t -158.51 112.9 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 139.1 -138.21 9.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.533 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -88.81 124.46 34.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.8 84.12 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 6.8 mt -53.95 -48.5 70.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.562 ' CE1' ' HG3' ' A' ' 540' ' ' LYS . 58.7 m-70 -134.98 95.86 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -91.18 148.92 22.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 14.8 t -85.9 120.35 27.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -84.02 35.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -131.36 -50.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.49 -47.99 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.87 29.4 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -88.45 175.3 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -144.23 134.68 24.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 538' ' ' SER . 9.5 m-85 -134.13 101.28 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 537' ' ' PHE . 36.8 m -34.88 -36.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 537' ' ' PHE . 12.2 m-85 -98.45 141.36 31.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 26.2 tttp -64.93 -59.08 4.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 84.7 p -45.54 -49.99 13.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -47.96 -60.25 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 23.1 tp -45.8 -49.78 14.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 56.8 mt -55.09 -39.54 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.6 -36.95 78.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -70.96 -46.91 61.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -50.39 -18.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 29.4 mtp85 -57.47 -20.41 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 21.7 pt -78.92 -26.01 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -80.09 -52.15 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 11.7 t -66.21 -20.64 66.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 98.08 87.56 1.88 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -46.51 -55.37 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 1.8 m -152.03 142.84 22.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 134.93 161.98 9.62 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.537 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.8 58.15 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 6.2 t -69.41 86.31 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 24.6 t -158.72 115.06 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 9.9 t -65.64 -45.4 83.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 73.1 m -147.28 114.06 6.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 124.6 70.87 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 24.8 m -130.65 123.4 29.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.842 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 92.8 p -166.95 136.1 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 151.52 -164.36 30.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 526' ' ' LYS . 35.0 tp10 -171.14 160.76 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 525' ' ' GLU . 31.8 mtmt -93.91 83.94 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.407 HD12 ' CA ' ' A' ' 538' ' ' SER . 8.4 mt -64.32 -45.52 87.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 540' ' ' LYS . 68.2 m-70 -136.38 106.9 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 15.9 tt0 -99.04 151.06 21.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . 0.434 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 20.0 t -87.6 121.28 29.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -84.4 31.89 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . 0.443 ' HB3' ' CD2' ' A' ' 550' ' ' HIS . 0.3 OUTLIER -127.07 -54.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.4 p -108.3 -48.19 3.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.91 34.09 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -95.69 -179.93 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . 0.497 ' C ' ' CD1' ' A' ' 537' ' ' PHE . . . -144.13 148.11 34.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 536' ' ' ALA . 6.9 m-85 -146.56 105.05 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.407 ' CA ' HD12 ' A' ' 527' ' ' LEU . 43.1 m -38.16 -37.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -95.83 143.8 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 16.1 ttpt -68.17 -55.38 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 60.7 p -48.7 -48.63 40.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -48.93 -60.35 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 28.5 tp -46.3 -47.69 18.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 60.0 mt -57.74 -41.76 80.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.21 -32.93 59.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . 0.578 ' CE1' HD13 ' A' ' 549' ' ' ILE . 15.5 t60 -72.56 -50.94 22.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -47.64 -20.14 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -52.49 -28.88 22.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.578 HD13 ' CE1' ' A' ' 546' ' ' HIS . 24.7 pt -67.18 -29.15 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.443 ' CD2' ' HB3' ' A' ' 532' ' ' ASN . 77.3 m-70 -81.69 -26.51 34.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.9 t -111.72 117.85 34.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 63.94 -106.43 1.4 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -49.35 174.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 67.4 m -133.06 39.77 3.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 73.92 84.12 0.31 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -50.66 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.361 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 19.9 m -53.02 -58.64 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 79.8 p -92.79 104.51 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 45.8 m -143.37 110.12 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 40.2 p -89.3 162.43 15.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 147.02 -146.84 17.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 23.3 t -84.94 43.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 110.837 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 88.3 p -102.14 159.25 15.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 152.79 -122.11 1.25 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 35.7 mp0 -76.39 157.25 32.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.872 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -84.24 84.29 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.448 HD13 ' CA ' ' A' ' 538' ' ' SER . 8.5 mt -61.25 -47.94 83.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 51.2 m-70 -133.93 104.77 6.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -101.03 146.18 27.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 6.3 t -83.78 119.97 25.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -84.93 12.96 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -103.42 -53.34 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.7 p -108.54 -46.73 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.7 25.79 1.22 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.533 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 19.9 mttm -84.07 175.04 9.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.751 0.31 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -138.89 140.86 38.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.11 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -142.15 129.45 21.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.448 ' CA ' HD13 ' A' ' 527' ' ' LEU . 39.3 m -84.63 25.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 540' ' ' LYS . 9.2 m-85 -155.44 106.86 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 539' ' ' PHE . 56.4 tttt -35.28 -56.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 39.8 m -49.55 -52.9 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -47.75 -56.25 7.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 52.4 tp -50.95 -45.85 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 51.9 mt -61.08 -36.42 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 95.4 mt -69.17 -35.57 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . 0.533 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.8 t60 -73.73 -50.4 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -47.02 -22.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . 0.467 ' HB3' ' CB ' ' A' ' 553' ' ' GLU . 73.9 mtt-85 -53.66 -34.49 58.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 19.1 pt -61.85 -28.84 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -79.04 -63.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 552' ' ' GLY . 15.1 t -45.03 -42.02 8.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.157 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . 0.449 ' N ' HG22 ' A' ' 551' ' ' THR . . . 143.9 59.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 548' ' ' ARG . 9.2 tp10 -132.06 152.67 51.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.899 0.38 . . . . 0.0 110.827 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 31.1 m -80.83 135.76 35.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -64.63 144.41 48.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 177.84 5.17 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 67.9 p -70.06 170.68 10.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 39.0 m -79.72 -61.94 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 1.8 m -84.97 104.76 15.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 35.4 p -134.1 127.83 32.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 120.93 166.81 13.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 37.1 p -76.01 156.33 34.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 4.7 t -172.42 128.34 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -137.99 85.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -169.49 132.86 1.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.911 0.386 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -126.46 85.87 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 9.3 mt -70.65 -43.12 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.465 ' CE1' ' HG3' ' A' ' 540' ' ' LYS . 55.7 m-70 -134.96 102.0 5.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -94.88 150.5 20.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 14.0 t -89.67 121.29 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -84.53 31.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -126.79 -52.56 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.3 p -109.75 -48.53 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.5 32.27 0.73 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -93.56 -179.68 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -149.26 142.83 25.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 537' ' ' PHE . 8.6 m-85 -141.32 105.33 4.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 13.8 m -38.09 -34.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -97.95 139.48 33.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . 0.465 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 57.6 tttt -64.61 -55.43 20.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 15.5 m -49.28 -50.54 38.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -47.19 -55.02 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 25.5 tp -51.38 -47.13 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 56.5 mt -58.35 -36.92 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 76.8 mt -67.55 -34.86 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -71.53 -51.78 21.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -46.11 -21.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 28.8 mtp85 -50.38 -24.5 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 24.7 pt -73.89 -31.44 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -78.05 -56.29 4.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 12.9 t -60.71 -38.34 84.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 123.99 113.87 2.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -138.92 159.92 40.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 19.6 t -131.71 102.59 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -93.85 142.91 16.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -34.06 15.22 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.724 2.283 . . . . 0.0 112.332 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 1.5 t -123.52 -43.59 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 19.6 m -84.66 163.2 19.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 25.9 m -90.2 87.78 6.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.889 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 26.8 t -142.86 115.01 8.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -108.26 -138.22 8.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 87.9 p -119.24 110.34 16.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 15.4 m -64.76 137.6 57.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -179.71 -156.56 18.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . 0.456 ' CG ' HD22 ' A' ' 527' ' ' LEU . 2.3 pm0 -114.26 136.56 52.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.945 0.402 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -94.19 102.61 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . 0.462 HD12 ' CA ' ' A' ' 538' ' ' SER . 6.0 mt -92.32 -40.75 10.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.481 ' CE1' ' HG3' ' A' ' 540' ' ' LYS . 54.8 m-70 -137.98 105.01 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -96.54 150.68 20.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.7 t -90.12 121.5 32.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -85.03 28.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . 0.44 HD21 ' CG ' ' A' ' 550' ' ' HIS . 35.7 m-20 -122.86 -51.41 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 24.9 p -110.77 -46.82 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 127.05 13.84 2.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -74.08 163.03 28.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.735 0.302 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -128.83 141.0 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -138.27 134.6 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.462 ' CA ' HD12 ' A' ' 527' ' ' LEU . 59.4 m -87.99 25.29 1.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 540' ' ' LYS . 9.1 m-85 -157.19 107.86 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . 0.481 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 51.8 tttp -35.67 -57.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 4.2 m -47.82 -53.27 16.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -47.87 -57.45 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 38.4 tp -50.19 -44.15 52.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 56.3 mt -62.79 -36.85 77.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 97.5 mt -69.13 -32.76 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -74.78 -51.29 14.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -48.05 -19.62 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -55.68 -16.45 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 21.0 pt -83.14 -27.79 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.44 ' CG ' HD21 ' A' ' 532' ' ' ASN . 88.5 m-70 -79.99 -20.93 44.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 12.8 t -118.24 165.94 13.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -69.94 85.88 0.3 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 555' ' ' GLY . 4.8 tm-20 -123.58 160.33 27.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.353 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 28.5 p -77.21 -56.89 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . 0.493 ' N ' ' OE1' ' A' ' 553' ' ' GLU . . . 63.86 155.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -31.67 20.07 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 60.1 p 50.05 43.74 25.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 1.7 t -78.1 -61.19 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.423 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 9.3 t -94.0 134.57 36.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 73.8 m -109.39 -58.83 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.803 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 61.85 -121.01 24.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.432 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 1.2 t -144.21 148.86 35.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 2.0 t 72.65 41.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -118.88 -162.16 11.98 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.45 109.34 13.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.381 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -78.11 79.27 4.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 6.1 mt -54.53 -51.94 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.486 ' CE1' ' HG3' ' A' ' 540' ' ' LYS . 75.6 m-70 -135.02 98.74 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -96.89 148.02 23.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 7.1 t -85.47 122.72 30.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -86.29 19.33 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -113.09 -47.97 3.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 27.0 p -113.16 -48.11 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.44 30.8 0.88 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -92.31 -179.86 5.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . 0.426 ' C ' ' CD1' ' A' ' 537' ' ' PHE . . . -147.25 141.61 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . 0.469 ' N ' ' CD1' ' A' ' 537' ' ' PHE . 2.9 m-85 -140.32 105.71 5.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 60.2 m -41.07 -33.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -97.95 139.36 33.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . 0.486 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 75.9 tttt -65.81 -54.49 26.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 92.4 p -50.79 -49.62 57.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -48.26 -58.09 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 13.4 tp -47.67 -49.25 28.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 60.4 mt -55.68 -39.75 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 90.5 mt -65.83 -33.01 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 537' ' ' PHE . 9.9 t60 -73.59 -51.03 18.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -48.28 -19.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -55.04 -22.46 15.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 29.3 pt -75.14 -29.45 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -82.2 -52.0 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 15.4 t -71.49 -13.85 61.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 64.86 88.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -98.36 148.39 23.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.923 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 3.1 m -49.22 -59.54 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 87.77 84.59 1.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -47.49 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.643 2.229 . . . . 0.0 112.36 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 11.5 t -89.21 -49.53 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 85.1 p -147.23 158.51 43.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 47.3 t -73.24 85.63 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 35.2 t -136.14 161.96 34.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 157.72 48.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 28.2 m -83.57 108.32 16.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 64.6 p -173.52 152.77 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 138.43 -116.98 1.36 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.56 126.64 30.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.879 0.371 . . . . 0.0 110.925 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.3 86.92 4.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.11 -33.08 65.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' HIS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 543' ' ' LEU . 56.4 m-70 -138.62 104.97 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -95.98 154.41 17.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 13.3 t -94.11 117.58 30.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -83.25 36.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 550' ' ' HIS . 3.6 t-20 -132.69 -52.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 29.0 p -109.74 -47.47 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.31 26.62 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -89.28 157.52 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -123.09 137.36 54.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' PHE . . . . . 0.4 ' CE1' HD13 ' A' ' 543' ' ' LEU . 24.8 m-85 -133.34 131.04 39.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 539' ' ' PHE . 1.1 t -84.32 23.7 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 538' ' ' SER . 15.1 m-85 -155.13 106.12 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 539' ' ' PHE . 23.9 ttpt -34.79 -57.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 35.2 p -47.92 -53.52 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -47.08 -59.47 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 528' ' ' HIS . 49.2 tp -47.66 -46.24 28.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.59 -36.76 72.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 79.9 mt -70.11 -36.07 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -70.39 -49.63 47.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -46.98 -22.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -50.71 -17.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.479 HD12 ' CE1' ' A' ' 550' ' ' HIS . 33.4 pt -81.57 -31.94 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.479 ' CE1' HD12 ' A' ' 549' ' ' ILE . 60.5 m-70 -86.23 20.42 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 14.7 t -145.75 171.01 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -79.59 52.1 4.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -83.63 148.5 27.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 3.1 m 48.54 38.85 11.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 105.45 167.91 23.72 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 113.93 3.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.239 . . . . 0.0 112.369 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 2.3 m -55.54 151.91 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 20.2 m -129.04 147.61 50.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.794 ' HB3' HD22 ' A' ' 543' ' ' LEU . 56.8 m80 -136.99 106.94 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -99.67 150.33 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.8 t -85.07 121.66 28.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -87.88 32.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -128.05 -54.68 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 27.0 p -105.94 -47.24 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.24 29.16 0.95 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.444 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 35.7 mttt -88.66 173.63 8.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -138.26 142.71 39.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -142.6 133.24 25.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 62.9 m -86.47 23.16 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -152.06 111.31 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -39.95 -55.24 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 541' ' ' SER . . . . . 0.412 ' HA ' HD12 ' A' ' 544' ' ' ILE . 61.0 p -52.34 -51.4 59.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -48.61 -56.19 9.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 528' ' ' HIS . 48.6 tp -49.89 -46.54 51.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 541' ' ' SER . 44.0 mt -60.21 -37.91 75.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.45 -30.38 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 546' ' ' HIS . . . . . 0.562 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 12.0 t60 -79.27 -49.0 13.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -49.36 -18.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -56.86 -29.87 63.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 21.0 pt -65.91 -29.52 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.865 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 538' ' ' SER . 3.2 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.819 0.343 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.742 ' HB3' HD22 ' A' ' 543' ' ' LEU . 77.1 m-70 -143.64 106.32 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.828 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -102.81 150.9 23.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 13.1 t -87.8 121.77 30.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -85.05 30.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -125.69 -52.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 24.3 p -110.02 -46.66 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.79 30.01 1.0 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.43 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 11.0 mttm -90.02 174.19 7.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -143.21 142.82 31.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.112 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -141.16 108.29 5.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.761 ' O ' HD12 ' A' ' 527' ' ' LEU . 4.6 t -44.08 -26.89 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -104.46 139.04 39.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -63.72 -61.63 2.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 80.3 p -45.07 -52.06 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -45.07 -60.09 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.742 HD22 ' HB3' ' A' ' 528' ' ' HIS . 14.4 tp -46.35 -50.6 16.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 62.8 mt -54.47 -41.0 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.37 -32.12 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 546' ' ' HIS . . . . . 0.43 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.3 t60 -75.03 -48.82 22.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -47.74 -21.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -52.91 -28.68 24.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 27.0 pt -67.97 -26.54 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.847 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 538' ' ' SER . 4.5 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.811 0.339 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.627 ' HB3' HD22 ' A' ' 543' ' ' LEU . 72.4 m80 -141.03 105.78 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -103.22 140.36 37.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.7 t -76.82 120.41 21.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -84.29 33.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -129.23 -51.63 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 22.9 p -109.75 -47.61 3.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.24 27.55 1.09 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.455 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 25.2 mttt -86.8 178.29 7.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -147.62 136.98 22.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 537' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 537' ' ' PHE . 8.9 m-85 -135.08 105.94 6.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.736 ' O ' HD12 ' A' ' 527' ' ' LEU . 35.9 m -39.11 -32.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 539' ' ' PHE . . . . . 0.429 ' HB2' ' NE2' ' A' ' 542' ' ' GLN . 13.0 m-85 -100.9 142.91 31.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 540' ' ' LYS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 528' ' ' HIS . 29.4 ttpt -64.6 -62.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.0 t -43.92 -52.66 6.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 542' ' ' GLN . . . . . 0.429 ' NE2' ' HB2' ' A' ' 539' ' ' PHE . 63.7 mt-30 -43.28 -58.36 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' A' ' 528' ' ' HIS . 28.2 tp -50.82 -48.67 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 68.0 mt -56.76 -33.95 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 91.8 mt -70.93 -34.15 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 546' ' ' HIS . . . . . 0.455 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 10.6 t60 -75.63 -46.89 29.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -50.12 -18.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -57.93 -27.35 63.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 546' ' ' HIS . 20.6 pt -68.23 -29.36 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.86 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.437 HD12 ' CA ' ' A' ' 538' ' ' SER . 9.5 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.83 0.348 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.676 ' HB3' HD22 ' A' ' 543' ' ' LEU . 51.9 m80 -132.75 108.93 9.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 529' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 34.3 tt0 -101.66 156.4 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 530' ' ' CYS . . . . . 0.414 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 8.6 t -94.13 119.28 32.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -84.21 24.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -117.51 -53.5 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.5 p -108.46 -48.3 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.92 29.38 0.88 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.583 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 15.5 mttm -89.3 169.59 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -132.31 144.81 50.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.076 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -144.88 128.82 17.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.437 ' CA ' HD12 ' A' ' 527' ' ' LEU . 3.5 m -84.57 25.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 539' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 540' ' ' LYS . 10.6 m-85 -154.11 105.03 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 540' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 528' ' ' HIS . 25.3 ttpt -35.01 -55.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 2.6 m -50.17 -52.7 33.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -47.91 -59.71 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 528' ' ' HIS . 54.7 tp -45.75 -44.61 13.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 57.6 mt -62.03 -40.12 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 92.3 mt -66.64 -35.4 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 546' ' ' HIS . . . . . 0.583 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.4 t60 -71.3 -51.67 23.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -48.36 -19.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -55.4 -17.07 4.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 29.9 pt -80.22 -28.37 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.881 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 538' ' ' SER . 6.2 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.715 ' HB3' HD22 ' A' ' 543' ' ' LEU . 63.5 m80 -135.03 102.96 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -99.71 146.93 25.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.9 t -85.61 118.89 25.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -84.21 34.99 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -130.43 -50.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.4 p -110.82 -48.23 3.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.71 35.25 0.61 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -97.58 176.31 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -145.68 137.33 25.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 537' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 539' ' ' PHE . 12.4 m-85 -134.92 101.05 4.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.713 ' O ' HD12 ' A' ' 527' ' ' LEU . 2.4 t -36.79 -30.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 539' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 537' ' ' PHE . 7.8 m-85 -102.81 136.9 41.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 540' ' ' LYS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 528' ' ' HIS . 5.3 ttpm? -61.98 -63.46 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 541' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 544' ' ' ILE . 83.1 p -41.64 -48.35 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -50.03 -61.56 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 528' ' ' HIS . 36.8 tp -44.96 -47.31 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 541' ' ' SER . 62.9 mt -57.19 -39.16 65.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.56 -38.17 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -69.3 -51.5 36.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -45.65 -23.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -49.87 -33.45 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 550' ' ' HIS . 23.8 pt -62.99 -31.2 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.405 ' N ' HG13 ' A' ' 549' ' ' ILE . 82.6 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 538' ' ' SER . 5.7 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.848 0.356 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.791 ' HB3' HD22 ' A' ' 543' ' ' LEU . 61.2 m-70 -135.28 105.79 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -101.08 149.39 24.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 12.4 t -89.21 118.2 28.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -83.16 37.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -132.81 -53.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.7 p -108.79 -47.86 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.47 37.57 0.55 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -100.18 174.87 5.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -143.35 137.58 28.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 537' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 538' ' ' SER . 12.2 m-85 -134.93 100.83 4.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.65 ' O ' HD12 ' A' ' 527' ' ' LEU . 44.0 m -34.56 -35.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 539' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 537' ' ' PHE . 12.2 m-85 -96.71 142.78 28.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 540' ' ' LYS . . . . . 0.401 ' HB2' ' NE2' ' A' ' 528' ' ' HIS . 28.1 ttpt -66.5 -58.89 4.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 4.9 m -45.7 -51.47 12.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -45.69 -61.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 528' ' ' HIS . 30.9 tp -47.01 -49.74 20.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.39 -39.12 51.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 89.1 mt -66.47 -39.24 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -69.75 -49.92 48.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -44.86 -23.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -50.93 -36.61 39.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 28.9 pt -57.07 -25.89 23.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.876 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 538' ' ' SER . 3.2 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.73 ' HB3' HD22 ' A' ' 543' ' ' LEU . 71.7 m-70 -135.04 100.23 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -97.68 152.54 18.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 12.0 t -89.84 120.91 31.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -84.73 33.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -129.69 -51.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.4 p -110.69 -48.34 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.81 32.15 0.77 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -92.59 179.53 5.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -149.01 142.75 25.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.069 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -141.16 104.97 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.554 ' O ' HD12 ' A' ' 527' ' ' LEU . 2.3 t -39.97 -31.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -101.58 134.94 43.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -59.34 -62.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 541' ' ' SER . . . . . 0.416 ' HA ' HD12 ' A' ' 544' ' ' ILE . 91.1 p -42.66 -49.56 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -48.38 -61.16 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.73 HD22 ' HB3' ' A' ' 528' ' ' HIS . 12.2 tp -46.05 -48.62 16.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 541' ' ' SER . 57.3 mt -56.53 -38.89 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.35 -31.84 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -75.69 -48.57 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -48.52 -19.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -55.32 -28.51 54.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 20.6 pt -69.99 -27.07 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.904 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 538' ' ' SER . 5.5 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.842 0.354 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.631 ' HB3' HD22 ' A' ' 543' ' ' LEU . 73.0 m-70 -134.97 101.19 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -96.44 155.18 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.6 t -91.3 119.8 31.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -83.92 34.33 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -130.49 -49.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.8 p -113.21 -46.18 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.06 28.82 1.08 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.496 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 26.7 mttp -87.79 175.2 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -145.08 142.67 29.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -141.92 107.8 5.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.7 ' O ' HD12 ' A' ' 527' ' ' LEU . 1.4 t -45.72 -22.55 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 539' ' ' PHE . . . . . 0.434 ' HB2' ' CD ' ' A' ' 542' ' ' GLN . 5.9 m-85 -111.31 134.17 53.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -58.09 -64.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 6.1 m -40.63 -52.95 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 542' ' ' GLN . . . . . 0.434 ' CD ' ' HB2' ' A' ' 539' ' ' PHE . 73.3 mt-30 -46.12 -54.67 8.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.631 HD22 ' HB3' ' A' ' 528' ' ' HIS . 19.9 tp -52.1 -50.04 62.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 59.9 mt -54.96 -34.92 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 83.2 mt -68.56 -36.2 73.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 546' ' ' HIS . . . . . 0.496 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.1 t60 -74.41 -48.82 25.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.826 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -47.74 -20.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 -53.64 -31.81 48.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.813 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 22.2 pt -65.47 -26.75 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.922 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 538' ' ' SER . 6.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.832 0.348 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.609 ' HB3' HD22 ' A' ' 543' ' ' LEU . 59.2 m-70 -135.03 99.85 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -92.82 152.02 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 13.2 t -89.23 126.14 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -88.08 30.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -125.52 -48.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 20.7 p -114.02 -49.32 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 128.08 28.21 0.87 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -88.66 179.29 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 536' ' ' ALA . . . . . 0.461 ' C ' ' CD1' ' A' ' 537' ' ' PHE . . . -146.26 145.86 30.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 537' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 536' ' ' ALA . 5.3 m-85 -143.62 106.91 4.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.634 ' O ' HD12 ' A' ' 527' ' ' LEU . 9.0 t -41.66 -27.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -105.66 136.25 45.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -61.22 -62.68 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 541' ' ' SER . . . . . 0.433 ' HA ' HD12 ' A' ' 544' ' ' ILE . 71.6 p -43.02 -48.53 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -49.24 -59.75 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 528' ' ' HIS . 29.5 tp -46.62 -46.26 19.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 541' ' ' SER . 46.1 mt -60.51 -37.17 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.12 -29.78 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -77.59 -46.48 22.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -50.02 -18.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -56.99 -22.75 40.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 20.7 pt -77.24 -21.23 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.869 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.73 HD12 ' O ' ' A' ' 538' ' ' SER . 3.4 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.824 0.345 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.653 ' HB3' HD22 ' A' ' 543' ' ' LEU . 75.0 m-70 -136.22 121.38 19.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 529' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 39.7 tt0 -113.9 151.19 32.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 530' ' ' CYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 5.4 t -91.48 110.35 21.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -71.87 1.35 7.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 532' ' ' ASN . . . . . 0.443 ' HB3' ' CE1' ' A' ' 550' ' ' HIS . 59.2 m-20 -91.19 -56.98 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.5 p -108.2 -48.14 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 127.42 26.09 1.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -83.97 179.83 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -144.11 135.29 25.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 537' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 539' ' ' PHE . 26.3 m-85 -135.02 100.08 4.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.73 ' O ' HD12 ' A' ' 527' ' ' LEU . 63.4 m -36.66 -33.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 539' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 537' ' ' PHE . 9.7 m-85 -98.85 138.71 35.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 540' ' ' LYS . . . . . 0.407 ' HB2' ' NE2' ' A' ' 528' ' ' HIS . 44.9 tttm -62.88 -56.03 20.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 82.7 p -48.7 -50.59 32.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -46.79 -60.65 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' A' ' 528' ' ' HIS . 19.0 tp -46.66 -48.59 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 57.3 mt -57.63 -41.18 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.08 -39.74 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 546' ' ' HIS . . . . . 0.415 ' CG ' ' CZ ' ' A' ' 537' ' ' PHE . 10.7 t60 -67.24 -50.55 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -45.77 -24.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -48.53 -31.65 6.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 550' ' ' HIS . 26.5 pt -65.42 -32.42 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.452 ' N ' HG13 ' A' ' 549' ' ' ILE . 39.5 m80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 538' ' ' SER . 9.6 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.777 0.322 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.773 ' HB3' HD22 ' A' ' 543' ' ' LEU . 59.6 m-70 -135.03 102.82 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -96.37 151.35 19.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 10.1 t -90.36 118.53 29.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -83.64 35.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -131.1 -52.75 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.4 p -108.9 -48.24 3.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.48 37.08 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -100.48 178.39 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -146.71 143.6 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.098 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 537' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 537' ' ' PHE . 7.8 m-85 -141.44 105.08 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.76 ' O ' HD12 ' A' ' 527' ' ' LEU . 49.9 m -37.78 -35.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -96.81 142.08 29.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 540' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 47.7 tttm -69.17 -51.19 40.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 60.6 p -52.1 -47.77 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -51.19 -58.95 4.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.773 HD22 ' HB3' ' A' ' 528' ' ' HIS . 24.6 tp -45.15 -48.34 12.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 58.2 mt -56.15 -41.85 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.61 -36.65 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -72.35 -51.57 19.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -47.41 -21.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -53.24 -32.73 49.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 550' ' ' HIS . 25.3 pt -61.25 -33.11 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.446 ' N ' HG13 ' A' ' 549' ' ' ILE . 81.7 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' ' 538' ' ' SER . 4.4 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.793 0.33 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.721 ' HB3' HD22 ' A' ' 543' ' ' LEU . 55.6 m-70 -134.98 98.05 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -95.97 137.64 34.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.8 t -74.61 124.93 27.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 531' ' ' ASN . . . . . 0.513 ' O ' ' ND2' ' A' ' 531' ' ' ASN . 1.1 t30 -89.6 34.9 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -131.24 -48.14 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.2 p -112.84 -47.09 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.87 31.58 0.86 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -91.41 179.18 5.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.773 0.32 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -148.73 133.79 18.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 537' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' A' ' 539' ' ' PHE . 18.1 m-85 -133.1 100.39 4.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.727 ' O ' HD12 ' A' ' 527' ' ' LEU . 67.8 m -34.52 -34.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 539' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 537' ' ' PHE . 6.3 m-85 -97.91 143.44 28.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 540' ' ' LYS . . . . . 0.53 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 36.2 tttm -66.95 -58.62 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 79.3 p -46.67 -50.71 17.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -46.79 -56.2 6.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 528' ' ' HIS . 24.0 tp -50.79 -48.74 59.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 59.9 mt -57.23 -36.8 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 94.5 mt -68.43 -31.77 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -76.03 -48.64 20.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -48.97 -19.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -55.58 -21.01 15.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 24.2 pt -78.93 -21.4 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 179.91 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.742 ' HB3' HD22 ' A' ' 543' ' ' LEU . 43.5 m-70 -131.34 104.82 7.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 529' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 35.7 tt0 -100.3 154.54 18.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 530' ' ' CYS . . . . . 0.434 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 5.7 t -90.75 118.47 30.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -84.43 32.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -128.09 -52.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.39 -47.78 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.68 33.57 0.75 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 23.9 mttp -93.75 169.43 10.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -131.58 143.24 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -142.81 128.67 19.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 28.8 m -84.22 23.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 539' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 540' ' ' LYS . 11.5 m-85 -153.2 108.61 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 540' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 539' ' ' PHE . 49.3 tttm -37.52 -57.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.3 m -47.65 -53.54 14.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -47.49 -59.76 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.742 HD22 ' HB3' ' A' ' 528' ' ' HIS . 58.2 tp -46.41 -45.81 18.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 53.8 mt -60.94 -37.84 77.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 79.1 mt -68.57 -38.66 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 546' ' ' HIS . . . . . 0.564 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.6 t60 -69.77 -49.05 56.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -47.83 -19.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -54.59 -30.94 56.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 24.0 pt -66.26 -20.47 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.881 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 538' ' ' SER . 6.8 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.607 ' CE1' ' HB2' ' A' ' 540' ' ' LYS . 64.5 m80 -134.98 95.86 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -91.18 148.92 22.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 14.8 t -85.9 120.35 27.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -84.02 35.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -131.36 -50.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.49 -47.99 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.87 29.4 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -88.45 175.3 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -144.23 134.68 24.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 537' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 538' ' ' SER . 9.5 m-85 -134.13 101.28 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.627 ' O ' HD12 ' A' ' 527' ' ' LEU . 36.8 m -34.88 -36.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 539' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 537' ' ' PHE . 12.2 m-85 -98.45 141.36 31.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 540' ' ' LYS . . . . . 0.607 ' HB2' ' CE1' ' A' ' 528' ' ' HIS . 26.2 tttp -64.93 -59.08 4.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 541' ' ' SER . . . . . 0.418 ' HA ' HD12 ' A' ' 544' ' ' ILE . 84.7 p -45.54 -49.99 13.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -47.96 -60.25 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 528' ' ' HIS . 23.1 tp -45.8 -49.78 14.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 541' ' ' SER . 56.8 mt -55.09 -39.54 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.6 -36.95 78.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -70.96 -46.91 61.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -50.39 -18.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 29.4 mtp85 -57.47 -20.41 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 21.7 pt -78.92 -26.01 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.872 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 538' ' ' SER . 8.4 mt . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.874 0.369 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.7 ' HB3' HD22 ' A' ' 543' ' ' LEU . 68.2 m-70 -136.38 106.9 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 529' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 15.9 tt0 -99.04 151.06 21.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 530' ' ' CYS . . . . . 0.441 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 20.0 t -87.6 121.28 29.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -84.4 31.89 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 532' ' ' ASN . . . . . 0.45 ' HB3' ' CD2' ' A' ' 550' ' ' HIS . 0.3 OUTLIER -127.07 -54.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.4 p -108.3 -48.19 3.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.91 34.09 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -95.69 -179.93 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 536' ' ' ALA . . . . . 0.497 ' C ' ' CD1' ' A' ' 537' ' ' PHE . . . -144.13 148.11 34.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 537' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 536' ' ' ALA . 6.9 m-85 -146.56 105.05 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.625 ' O ' HD12 ' A' ' 527' ' ' LEU . 43.1 m -38.16 -37.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -95.83 143.8 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 540' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 16.1 ttpt -68.17 -55.38 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 60.7 p -48.7 -48.63 40.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -48.93 -60.35 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 528' ' ' HIS . 28.5 tp -46.3 -47.69 18.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 60.0 mt -57.74 -41.76 80.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.21 -32.93 59.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -72.56 -50.94 22.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -47.64 -20.14 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -52.49 -28.88 22.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 550' ' ' HIS . 24.7 pt -67.18 -29.15 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.45 ' CD2' ' HB3' ' A' ' 532' ' ' ASN . 77.3 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.888 0.375 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.758 ' HB3' HD22 ' A' ' 543' ' ' LEU . 51.2 m-70 -133.93 104.77 6.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -101.03 146.18 27.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 6.3 t -83.78 119.97 25.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -84.93 12.96 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -103.42 -53.34 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.7 p -108.54 -46.73 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.7 25.79 1.22 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.54 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 19.9 mttm -84.07 175.04 9.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.751 0.31 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -138.89 140.86 38.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.11 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -142.15 129.45 21.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 39.3 m -84.63 25.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 539' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 540' ' ' LYS . 9.2 m-85 -155.44 106.86 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 540' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 539' ' ' PHE . 56.4 tttt -35.28 -56.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 39.8 m -49.55 -52.9 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -47.75 -56.25 7.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 528' ' ' HIS . 52.4 tp -50.95 -45.85 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 51.9 mt -61.08 -36.42 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 95.4 mt -69.17 -35.57 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 546' ' ' HIS . . . . . 0.54 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.8 t60 -73.73 -50.4 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -47.02 -22.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -53.66 -34.49 58.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 19.1 pt -61.85 -28.84 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 538' ' ' SER . 9.3 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.789 ' HB3' HD22 ' A' ' 543' ' ' LEU . 55.7 m-70 -134.96 102.0 5.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -94.88 150.5 20.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 14.0 t -89.67 121.29 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -84.53 31.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -126.79 -52.56 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.3 p -109.75 -48.53 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.5 32.27 0.73 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -93.56 -179.68 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -149.26 142.83 25.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 537' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 537' ' ' PHE . 8.6 m-85 -141.32 105.33 4.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.781 ' O ' HD12 ' A' ' 527' ' ' LEU . 13.8 m -38.09 -34.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -97.95 139.48 33.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 540' ' ' LYS . . . . . 0.453 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 57.6 tttt -64.61 -55.43 20.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 15.5 m -49.28 -50.54 38.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -47.19 -55.02 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.789 HD22 ' HB3' ' A' ' 528' ' ' HIS . 25.5 tp -51.38 -47.13 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 56.5 mt -58.35 -36.92 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 76.8 mt -67.55 -34.86 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -71.53 -51.78 21.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -46.11 -21.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 28.8 mtp85 -50.38 -24.5 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 24.7 pt -73.89 -31.44 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.903 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.855 0.36 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.783 ' HB3' HD22 ' A' ' 543' ' ' LEU . 54.8 m-70 -137.98 105.01 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -96.54 150.68 20.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.7 t -90.12 121.5 32.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -85.03 28.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 532' ' ' ASN . . . . . 0.401 HD21 ' HA ' ' A' ' 532' ' ' ASN . 2.0 m120 -122.86 -51.41 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 24.9 p -110.77 -46.82 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 127.05 13.84 2.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -74.08 163.03 28.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.735 0.302 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -128.83 141.0 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -138.27 134.6 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 59.4 m -87.99 25.29 1.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 539' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 540' ' ' LYS . 9.1 m-85 -157.19 107.86 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 540' ' ' LYS . . . . . 0.468 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 51.8 tttp -35.67 -57.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 4.2 m -47.82 -53.27 16.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -47.87 -57.45 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 528' ' ' HIS . 38.4 tp -50.19 -44.15 52.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 56.3 mt -62.79 -36.85 77.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 97.5 mt -69.13 -32.76 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 546' ' ' HIS . . . . . 0.436 ' O ' HG23 ' A' ' 549' ' ' ILE . 10.7 t60 -74.78 -51.29 14.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -48.05 -19.62 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -55.68 -16.45 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 546' ' ' HIS . 21.0 pt -83.14 -27.79 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.823 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 527' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 538' ' ' SER . 6.1 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.848 0.356 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.866 ' HB3' HD22 ' A' ' 543' ' ' LEU . 75.6 m-70 -135.02 98.74 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -96.89 148.02 23.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 7.1 t -85.47 122.72 30.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -86.29 19.33 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 532' ' ' ASN . . . . . 0.402 HD21 ' HA ' ' A' ' 532' ' ' ASN . 2.5 m120 -113.09 -47.97 3.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 27.0 p -113.16 -48.11 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.44 30.8 0.88 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -92.31 -179.86 5.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 536' ' ' ALA . . . . . 0.426 ' C ' ' CD1' ' A' ' 537' ' ' PHE . . . -147.25 141.61 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 537' ' ' PHE . . . . . 0.469 ' N ' ' CD1' ' A' ' 537' ' ' PHE . 2.9 m-85 -140.32 105.71 5.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.643 ' O ' HD12 ' A' ' 527' ' ' LEU . 60.2 m -41.07 -33.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -97.95 139.36 33.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 540' ' ' LYS . . . . . 0.479 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 75.9 tttt -65.81 -54.49 26.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 92.4 p -50.79 -49.62 57.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -48.26 -58.09 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.866 HD22 ' HB3' ' A' ' 528' ' ' HIS . 13.4 tp -47.67 -49.25 28.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 60.4 mt -55.68 -39.75 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 545' ' ' ILE . . . . . 0.621 HG23 ' NH1' ' A' ' 548' ' ' ARG . 90.5 mt -65.83 -33.01 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 546' ' ' HIS . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 537' ' ' PHE . 9.9 t60 -73.59 -51.03 18.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -48.28 -19.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 548' ' ' ARG . . . . . 0.621 ' NH1' HG23 ' A' ' 545' ' ' ILE . 86.3 mtt180 -55.04 -22.46 15.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 29.3 pt -75.14 -29.45 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 34.5 m80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.865 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 528' ' ' HIS . . . . . 0.74 ' HB3' HD22 ' A' ' 543' ' ' LEU . 56.4 m-70 -138.62 104.97 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -95.98 154.41 17.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 13.3 t -94.11 117.58 30.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -83.25 36.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 532' ' ' ASN . . . . . 0.418 ' HB3' ' CD2' ' A' ' 550' ' ' HIS . 0.1 OUTLIER -132.69 -52.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 29.0 p -109.74 -47.47 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.31 26.62 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -89.28 157.52 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -123.09 137.36 54.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -133.34 131.04 39.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 538' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 539' ' ' PHE . 1.1 t -84.32 23.7 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 539' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 538' ' ' SER . 15.1 m-85 -155.13 106.12 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 540' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 539' ' ' PHE . 23.9 ttpt -34.79 -57.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 35.2 p -47.92 -53.52 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -47.08 -59.47 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 543' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 528' ' ' HIS . 49.2 tp -47.66 -46.24 28.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.59 -36.76 72.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 79.9 mt -70.11 -36.07 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -70.39 -49.63 47.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -46.98 -22.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -50.71 -17.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 550' ' ' HIS . 33.4 pt -81.57 -31.94 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.43 ' N ' HG13 ' A' ' 549' ' ' ILE . 60.5 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 49.7 m -141.68 121.07 13.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 36.6 t -58.71 128.58 37.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 160.2 57.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 79.2 p -90.22 115.56 27.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.369 . . . . 0.0 110.906 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 2.9 m -107.12 154.02 21.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 60.95 176.15 1.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -70.21 143.11 52.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.944 0.402 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -85.01 83.84 7.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 7.7 mt -73.49 -43.14 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.794 ' HB3' HD22 ' A' ' 543' ' ' LEU . 56.8 m80 -136.99 106.94 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -99.67 150.33 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.8 t -85.07 121.66 28.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -87.88 32.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -128.05 -54.68 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 27.0 p -105.94 -47.24 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.24 29.16 0.95 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.444 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 35.7 mttt -88.66 173.63 8.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -138.26 142.71 39.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -142.6 133.24 25.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 62.9 m -86.47 23.16 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -152.06 111.31 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -39.95 -55.24 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' SER . . . . . 0.412 ' HA ' HD12 ' A' ' 544' ' ' ILE . 61.0 p -52.34 -51.4 59.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -48.61 -56.19 9.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 528' ' ' HIS . 48.6 tp -49.89 -46.54 51.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 541' ' ' SER . 44.0 mt -60.21 -37.91 75.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.45 -30.38 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' HIS . . . . . 0.562 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 12.0 t60 -79.27 -49.0 13.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -49.36 -18.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.46 ' HA ' HG22 ' A' ' 551' ' ' THR . 33.6 mtm180 -56.86 -29.87 63.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 21.0 pt -65.91 -29.52 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -82.65 -33.75 27.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 551' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 548' ' ' ARG . 11.6 t -99.9 173.64 6.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -90.32 113.73 4.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.431 ' CG ' ' HB3' ' A' ' 548' ' ' ARG . 30.4 mt-10 -80.87 178.24 8.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 88.2 p -146.25 111.36 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -161.29 -158.23 9.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 162.62 41.38 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 1.1 t -83.82 129.63 34.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 13.1 t -160.81 143.72 12.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.416 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 2.6 m -159.4 137.3 10.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 35.5 p -73.06 -57.3 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -131.7 166.44 23.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 88.3 p -102.47 85.36 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 0.0 110.833 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 93.4 p -95.98 159.07 15.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -167.73 81.19 0.1 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -124.86 111.14 15.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.92 50.53 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 538' ' ' SER . 3.2 mt -44.12 -33.87 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.742 ' HB3' HD22 ' A' ' 543' ' ' LEU . 77.1 m-70 -143.64 106.32 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.828 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -102.81 150.9 23.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 13.1 t -87.8 121.77 30.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -85.05 30.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -125.69 -52.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 24.3 p -110.02 -46.66 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.79 30.01 1.0 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.43 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 11.0 mttm -90.02 174.19 7.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -143.21 142.82 31.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.112 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -141.16 108.29 5.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.761 ' O ' HD12 ' A' ' 527' ' ' LEU . 4.6 t -44.08 -26.89 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -104.46 139.04 39.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -63.72 -61.63 2.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 80.3 p -45.07 -52.06 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -45.07 -60.09 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.742 HD22 ' HB3' ' A' ' 528' ' ' HIS . 14.4 tp -46.35 -50.6 16.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 62.8 mt -54.47 -41.0 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.37 -32.12 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 546' ' ' HIS . . . . . 0.43 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.3 t60 -75.03 -48.82 22.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -47.74 -21.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -52.91 -28.68 24.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 27.0 pt -67.97 -26.54 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 551' ' ' THR . 83.9 m-70 -85.73 -67.08 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 551' ' ' THR . . . . . 0.552 HG23 ' N ' ' A' ' 552' ' ' GLY . 15.1 t -34.44 -47.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' GLY . . . . . 0.552 ' N ' HG23 ' A' ' 551' ' ' THR . . . 142.36 -59.64 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -40.15 144.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 43.1 t -76.09 112.56 12.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.815 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -119.38 153.13 16.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.449 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 176.63 6.5 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.352 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 3.4 m 56.65 41.3 28.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 69.5 m -73.13 171.98 11.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.475 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 2.3 m -122.34 83.19 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.882 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 36.0 t -74.74 99.57 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -131.01 -161.1 10.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 39.6 m -111.37 113.62 26.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.351 . . . . 0.0 110.841 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 90.4 p -88.57 -42.72 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 143.08 -65.2 0.48 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.29 121.06 26.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -91.85 75.17 5.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 538' ' ' SER . 4.5 mt -43.99 -45.72 7.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.627 ' HB3' HD22 ' A' ' 543' ' ' LEU . 72.4 m80 -141.03 105.78 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -103.22 140.36 37.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.7 t -76.82 120.41 21.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -84.29 33.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -129.23 -51.63 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 22.9 p -109.75 -47.61 3.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.24 27.55 1.09 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.455 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 25.2 mttt -86.8 178.29 7.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -147.62 136.98 22.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 537' ' ' PHE . 8.9 m-85 -135.08 105.94 6.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.736 ' O ' HD12 ' A' ' 527' ' ' LEU . 35.9 m -39.11 -32.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 539' ' ' PHE . . . . . 0.429 ' HB2' ' NE2' ' A' ' 542' ' ' GLN . 13.0 m-85 -100.9 142.91 31.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 540' ' ' LYS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 528' ' ' HIS . 29.4 ttpt -64.6 -62.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.0 t -43.92 -52.66 6.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.429 ' NE2' ' HB2' ' A' ' 539' ' ' PHE . 63.7 mt-30 -43.28 -58.36 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' A' ' 528' ' ' HIS . 28.2 tp -50.82 -48.67 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 68.0 mt -56.76 -33.95 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 91.8 mt -70.93 -34.15 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' HIS . . . . . 0.455 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 10.6 t60 -75.63 -46.89 29.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -50.12 -18.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -57.93 -27.35 63.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 546' ' ' HIS . 20.6 pt -68.23 -29.36 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -78.36 -52.88 7.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 5.9 t -72.32 -0.96 13.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 85.51 121.44 1.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -93.06 115.56 28.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 1.3 t -111.33 151.87 27.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 139.49 -174.14 22.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.36 37.58 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 29.2 m -85.73 176.53 8.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 559' ' ' GLY . 73.3 m -107.48 134.27 50.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 558' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.521 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 2.4 t -113.28 88.19 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.939 0.399 . . . . 0.0 110.903 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 12.5 t -171.49 130.27 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -124.68 -140.57 5.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 38.3 m -63.8 126.2 26.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 8.4 m -69.35 -51.05 40.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -144.98 -113.12 0.84 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.531 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -82.7 137.24 34.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.956 0.407 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -76.65 84.99 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.437 HD12 ' CA ' ' A' ' 538' ' ' SER . 9.5 mt -75.74 -48.53 21.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.676 ' HB3' HD22 ' A' ' 543' ' ' LEU . 51.9 m80 -132.75 108.93 9.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 34.3 tt0 -101.66 156.4 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 530' ' ' CYS . . . . . 0.414 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 8.6 t -94.13 119.28 32.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -84.21 24.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -117.51 -53.5 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.5 p -108.46 -48.3 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.92 29.38 0.88 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.583 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 15.5 mttm -89.3 169.59 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -132.31 144.81 50.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.076 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -144.88 128.82 17.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.437 ' CA ' HD12 ' A' ' 527' ' ' LEU . 3.5 m -84.57 25.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 539' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 540' ' ' LYS . 10.6 m-85 -154.11 105.03 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 540' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 528' ' ' HIS . 25.3 ttpt -35.01 -55.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 2.6 m -50.17 -52.7 33.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -47.91 -59.71 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 528' ' ' HIS . 54.7 tp -45.75 -44.61 13.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 57.6 mt -62.03 -40.12 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 92.3 mt -66.64 -35.4 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 546' ' ' HIS . . . . . 0.583 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.4 t60 -71.3 -51.67 23.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -48.36 -19.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -55.4 -17.07 4.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 29.9 pt -80.22 -28.37 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -82.65 -61.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 14.4 t -42.68 -36.03 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 145.31 -93.33 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 62.84 47.99 4.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 4.9 t -135.83 122.41 20.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -152.24 -161.53 10.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 2.44 3.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.39 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 94.9 p -76.6 168.41 20.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 81.6 p -123.93 112.39 17.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.526 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 2.9 t -84.81 148.42 26.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 62.3 m -135.18 140.89 45.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -168.33 46.69 0.23 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 11.0 t -138.15 118.75 13.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 28.3 t -114.14 90.79 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 54.12 -159.05 5.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 525' ' ' GLU . . . . . 0.627 ' O ' HD23 ' A' ' 527' ' ' LEU . 34.9 tt0 41.96 46.48 3.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.369 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.24 101.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 538' ' ' SER . 6.2 mt -63.67 -48.05 78.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.715 ' HB3' HD22 ' A' ' 543' ' ' LEU . 63.5 m80 -135.03 102.96 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -99.71 146.93 25.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.9 t -85.61 118.89 25.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -84.21 34.99 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -130.43 -50.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.4 p -110.82 -48.23 3.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.71 35.25 0.61 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -97.58 176.31 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -145.68 137.33 25.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 539' ' ' PHE . 12.4 m-85 -134.92 101.05 4.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.713 ' O ' HD12 ' A' ' 527' ' ' LEU . 2.4 t -36.79 -30.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 537' ' ' PHE . 7.8 m-85 -102.81 136.9 41.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 540' ' ' LYS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 528' ' ' HIS . 5.3 ttpm? -61.98 -63.46 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 541' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 544' ' ' ILE . 83.1 p -41.64 -48.35 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -50.03 -61.56 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 528' ' ' HIS . 36.8 tp -44.96 -47.31 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 541' ' ' SER . 62.9 mt -57.19 -39.16 65.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.56 -38.17 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -69.3 -51.5 36.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -45.65 -23.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.479 ' HA ' HG22 ' A' ' 551' ' ' THR . 60.1 mtp180 -49.87 -33.45 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 550' ' ' HIS . 23.8 pt -62.99 -31.2 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.405 ' N ' HG13 ' A' ' 549' ' ' ILE . 82.6 m-70 -77.35 -56.58 4.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 548' ' ' ARG . 14.9 t -56.53 -42.71 78.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' GLY . . . . . 0.464 ' N ' HG23 ' A' ' 551' ' ' THR . . . 135.01 133.82 3.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.521 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -146.33 120.86 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 95.6 p -99.66 -45.29 5.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -59.88 -94.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 143.32 50.27 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.258 . . . . 0.0 112.333 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 77.2 p -173.32 125.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 63.7 p -170.06 155.5 5.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 71.7 m -108.71 149.16 29.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 4.1 m -99.41 168.16 10.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -109.06 -158.74 18.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 27.1 m 57.26 44.69 21.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.865 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 56.5 p -98.21 132.76 43.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -162.98 -131.09 1.18 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 525' ' ' GLU . . . . . 0.512 ' HG3' HD23 ' A' ' 527' ' ' LEU . 25.0 tp10 -138.77 148.7 44.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.976 0.417 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -117.88 83.66 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 538' ' ' SER . 5.7 mt -47.99 -49.16 31.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.791 ' HB3' HD22 ' A' ' 543' ' ' LEU . 61.2 m-70 -135.28 105.79 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -101.08 149.39 24.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 12.4 t -89.21 118.2 28.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -83.16 37.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -132.81 -53.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.7 p -108.79 -47.86 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.47 37.57 0.55 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -100.18 174.87 5.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -143.35 137.58 28.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 538' ' ' SER . 12.2 m-85 -134.93 100.83 4.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.65 ' O ' HD12 ' A' ' 527' ' ' LEU . 44.0 m -34.56 -35.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 539' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 537' ' ' PHE . 12.2 m-85 -96.71 142.78 28.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 540' ' ' LYS . . . . . 0.401 ' HB2' ' NE2' ' A' ' 528' ' ' HIS . 28.1 ttpt -66.5 -58.89 4.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 4.9 m -45.7 -51.47 12.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -45.69 -61.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 528' ' ' HIS . 30.9 tp -47.01 -49.74 20.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.39 -39.12 51.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 89.1 mt -66.47 -39.24 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -69.75 -49.92 48.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -44.86 -23.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.564 ' O ' HG22 ' A' ' 551' ' ' THR . 83.0 mtt-85 -50.93 -36.61 39.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 28.9 pt -57.07 -25.89 23.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 552' ' ' GLY . 78.7 m-70 -89.08 -59.4 2.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 548' ' ' ARG . 3.0 t -37.84 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 552' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 550' ' ' HIS . . . 167.82 -50.76 0.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 552' ' ' GLY . 20.4 mt-10 -34.5 114.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.371 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 85.5 p -96.64 122.67 39.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -139.53 83.86 0.23 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 93.49 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.392 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 8.2 t -157.28 149.46 22.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 96.4 p -155.06 123.24 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 7.7 t -146.72 109.84 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 8.5 t -92.05 139.04 31.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -128.56 -88.59 0.57 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 8.4 m -156.34 160.99 40.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.894 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 78.2 p -87.25 159.12 18.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -118.84 -121.49 3.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -100.48 132.81 45.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -77.36 94.24 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 538' ' ' SER . 3.2 mt -62.0 -50.27 72.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.73 ' HB3' HD22 ' A' ' 543' ' ' LEU . 71.7 m-70 -135.04 100.23 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -97.68 152.54 18.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 12.0 t -89.84 120.91 31.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -84.73 33.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -129.69 -51.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.4 p -110.69 -48.34 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.81 32.15 0.77 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -92.59 179.53 5.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -149.01 142.75 25.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.069 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -141.16 104.97 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.554 ' O ' HD12 ' A' ' 527' ' ' LEU . 2.3 t -39.97 -31.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -101.58 134.94 43.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -59.34 -62.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 541' ' ' SER . . . . . 0.416 ' HA ' HD12 ' A' ' 544' ' ' ILE . 91.1 p -42.66 -49.56 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -48.38 -61.16 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.73 HD22 ' HB3' ' A' ' 528' ' ' HIS . 12.2 tp -46.05 -48.62 16.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 541' ' ' SER . 57.3 mt -56.53 -38.89 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.35 -31.84 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -75.69 -48.57 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -48.52 -19.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -55.32 -28.51 54.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 20.6 pt -69.99 -27.07 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -82.36 -54.88 4.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' THR . . . . . 0.484 HG23 ' HG2' ' A' ' 553' ' ' GLU . 11.9 t -68.83 -11.68 60.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 71.22 99.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.454 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.484 ' HG2' HG23 ' A' ' 551' ' ' THR . 68.9 mm-40 -133.67 174.36 10.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 85.1 p -58.61 133.84 56.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 166.13 144.94 4.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -9.67 26.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 37.1 m -93.7 -55.11 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 27.4 t -88.76 150.31 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 44.8 m 53.43 45.24 28.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 3.1 m -85.74 150.12 24.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 171.8 -42.68 0.18 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 1.3 t -63.33 136.39 57.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 3.5 t -115.27 41.52 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 136.91 114.2 1.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -71.4 143.28 50.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -119.55 83.42 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 538' ' ' SER . 5.5 mt -47.33 -52.29 16.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.631 ' HB3' HD22 ' A' ' 543' ' ' LEU . 73.0 m-70 -134.97 101.19 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -96.44 155.18 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.6 t -91.3 119.8 31.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -83.92 34.33 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -130.49 -49.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.8 p -113.21 -46.18 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.06 28.82 1.08 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.496 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 26.7 mttp -87.79 175.2 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -145.08 142.67 29.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -141.92 107.8 5.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.7 ' O ' HD12 ' A' ' 527' ' ' LEU . 1.4 t -45.72 -22.55 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' PHE . . . . . 0.434 ' HB2' ' CD ' ' A' ' 542' ' ' GLN . 5.9 m-85 -111.31 134.17 53.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -58.09 -64.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 6.1 m -40.63 -52.95 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.434 ' CD ' ' HB2' ' A' ' 539' ' ' PHE . 73.3 mt-30 -46.12 -54.67 8.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.631 HD22 ' HB3' ' A' ' 528' ' ' HIS . 19.9 tp -52.1 -50.04 62.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 59.9 mt -54.96 -34.92 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 83.2 mt -68.56 -36.2 73.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' HIS . . . . . 0.496 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.1 t60 -74.41 -48.82 25.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.826 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -47.74 -20.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.464 ' HA ' HG22 ' A' ' 551' ' ' THR . 42.1 mtp85 -53.64 -31.81 48.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 22.2 pt -65.47 -26.75 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -83.54 -41.21 18.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' THR . . . . . 0.464 HG22 ' HA ' ' A' ' 548' ' ' ARG . 14.7 t -90.15 39.37 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 55.47 72.6 0.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 548' ' ' ARG . 15.8 tt0 -46.73 116.59 1.37 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 6.1 m -92.9 79.06 4.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -145.64 145.57 14.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -36.54 10.62 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 10.1 t -87.45 89.22 7.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 3.3 t -54.73 150.43 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.475 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 65.4 m -79.08 -48.0 15.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 3.1 t -45.28 133.25 7.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -74.04 151.31 43.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 83.8 p -82.22 92.23 6.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.885 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 77.6 p -64.71 135.23 55.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 161.45 -69.97 0.23 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -133.81 169.28 17.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.948 0.404 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 526' ' ' LYS . 1.7 mptp? -114.12 51.21 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 538' ' ' SER . 6.5 mt -40.41 -45.59 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.609 ' HB3' HD22 ' A' ' 543' ' ' LEU . 59.2 m-70 -135.03 99.85 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -92.82 152.02 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 13.2 t -89.23 126.14 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -88.08 30.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -125.52 -48.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 20.7 p -114.02 -49.32 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 128.08 28.21 0.87 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -88.66 179.29 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 536' ' ' ALA . . . . . 0.461 ' C ' ' CD1' ' A' ' 537' ' ' PHE . . . -146.26 145.86 30.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 537' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 536' ' ' ALA . 5.3 m-85 -143.62 106.91 4.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.634 ' O ' HD12 ' A' ' 527' ' ' LEU . 9.0 t -41.66 -27.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -105.66 136.25 45.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -61.22 -62.68 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' SER . . . . . 0.433 ' HA ' HD12 ' A' ' 544' ' ' ILE . 71.6 p -43.02 -48.53 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -49.24 -59.75 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 528' ' ' HIS . 29.5 tp -46.62 -46.26 19.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 541' ' ' SER . 46.1 mt -60.51 -37.17 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.12 -29.78 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -77.59 -46.48 22.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -50.02 -18.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -56.99 -22.75 40.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 20.7 pt -77.24 -21.23 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -84.91 -67.7 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 551' ' ' THR . . . . . 0.51 HG23 ' N ' ' A' ' 552' ' ' GLY . 10.2 t -40.98 -45.82 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.109 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 552' ' ' GLY . . . . . 0.51 ' N ' HG23 ' A' ' 551' ' ' THR . . . 124.56 66.35 0.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -174.6 129.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.936 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 77.7 p -134.58 86.52 2.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -72.11 -96.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.446 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 171.4 14.48 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.395 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 10.1 t 61.62 47.24 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 32.5 p -139.24 130.0 26.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 84.5 p -128.03 95.91 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.849 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 7.6 t -163.88 142.57 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 177.82 120.34 0.64 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 3.9 m -107.67 116.1 31.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 0.0 110.861 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 73.8 m -65.47 113.29 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -125.5 -124.71 2.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -119.62 116.77 26.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' LYS . . . . . 0.403 ' NZ ' ' HG3' ' A' ' 529' ' ' GLU . 1.5 mtpm? -94.0 96.63 9.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.73 HD12 ' O ' ' A' ' 538' ' ' SER . 3.4 mt -61.01 -51.24 70.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.653 ' HB3' HD22 ' A' ' 543' ' ' LEU . 75.0 m-70 -136.22 121.38 19.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 39.7 tt0 -113.9 151.19 32.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 530' ' ' CYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 5.4 t -91.48 110.35 21.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -71.87 1.35 7.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' ASN . . . . . 0.576 ' CB ' ' CD2' ' A' ' 550' ' ' HIS . 59.2 m-20 -91.19 -56.98 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.5 p -108.2 -48.14 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 127.42 26.09 1.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -83.97 179.83 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -144.11 135.29 25.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 539' ' ' PHE . 26.3 m-85 -135.02 100.08 4.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.73 ' O ' HD12 ' A' ' 527' ' ' LEU . 63.4 m -36.66 -33.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 539' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 537' ' ' PHE . 9.7 m-85 -98.85 138.71 35.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 540' ' ' LYS . . . . . 0.407 ' HB2' ' NE2' ' A' ' 528' ' ' HIS . 44.9 tttm -62.88 -56.03 20.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 82.7 p -48.7 -50.59 32.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -46.79 -60.65 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' A' ' 528' ' ' HIS . 19.0 tp -46.66 -48.59 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 57.3 mt -57.63 -41.18 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.08 -39.74 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 546' ' ' HIS . . . . . 0.415 ' CG ' ' CZ ' ' A' ' 537' ' ' PHE . 10.7 t60 -67.24 -50.55 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -45.77 -24.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.51 ' HA ' HG22 ' A' ' 551' ' ' THR . 43.2 mtp180 -48.53 -31.65 6.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 550' ' ' HIS . 26.5 pt -65.42 -32.42 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.576 ' CD2' ' CB ' ' A' ' 532' ' ' ASN . 88.4 m-70 -77.89 -47.02 19.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 551' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 551' ' ' THR . 14.2 t -78.9 44.45 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 38.98 92.43 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -47.73 -45.57 28.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.88 0.371 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 1.7 t 65.37 42.21 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -109.64 -158.19 17.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 144.19 53.43 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 49.6 m -83.92 93.52 8.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 28.1 t -162.7 108.59 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.555 179.954 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 23.4 p -39.51 142.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 17.2 p -93.71 -30.9 14.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 116.34 57.8 0.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 49.7 p -157.13 138.96 14.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.393 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 4.3 m -87.45 99.11 11.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 71.67 -159.06 53.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -169.69 117.28 0.59 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.47 76.89 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 538' ' ' SER . 9.6 mt -68.97 -41.99 77.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.773 ' HB3' HD22 ' A' ' 543' ' ' LEU . 59.6 m-70 -135.03 102.82 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -96.37 151.35 19.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 10.1 t -90.36 118.53 29.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -83.64 35.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -131.1 -52.75 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.4 p -108.9 -48.24 3.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.48 37.08 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -100.48 178.39 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -146.71 143.6 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.098 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 537' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 537' ' ' PHE . 7.8 m-85 -141.44 105.08 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.76 ' O ' HD12 ' A' ' 527' ' ' LEU . 49.9 m -37.78 -35.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -96.81 142.08 29.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 540' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 47.7 tttm -69.17 -51.19 40.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 60.6 p -52.1 -47.77 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -51.19 -58.95 4.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.773 HD22 ' HB3' ' A' ' 528' ' ' HIS . 24.6 tp -45.15 -48.34 12.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 58.2 mt -56.15 -41.85 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.61 -36.65 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -72.35 -51.57 19.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -47.41 -21.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.482 ' HB3' ' CG ' ' A' ' 553' ' ' GLU . 27.6 mtt180 -53.24 -32.73 49.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 550' ' ' HIS . 25.3 pt -61.25 -33.11 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.446 ' N ' HG13 ' A' ' 549' ' ' ILE . 81.7 m-70 -75.98 -63.52 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 551' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 548' ' ' ARG . 9.5 t -51.99 -22.31 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 108.95 122.58 4.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.477 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.482 ' CG ' ' HB3' ' A' ' 548' ' ' ARG . 23.2 mt-10 -117.26 161.38 19.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 50.8 m -84.15 -57.07 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 126.58 84.57 0.52 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -47.96 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.262 . . . . 0.0 112.327 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 70.5 p -124.6 158.8 32.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 8.5 t -103.72 100.4 10.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 12.2 t 67.16 42.26 2.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 3.2 m -146.88 112.65 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 99.35 74.98 1.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 522' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 523' ' ' SER . 4.5 t -108.83 120.83 43.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.364 . . . . 0.0 110.878 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 523' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 522' ' ' SER . 71.4 m -35.61 139.1 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -118.66 147.43 18.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -51.23 155.43 1.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.389 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -95.28 114.21 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' ' 538' ' ' SER . 4.4 mt -75.21 -48.28 24.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.721 ' HB3' HD22 ' A' ' 543' ' ' LEU . 55.6 m-70 -134.98 98.05 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -95.97 137.64 34.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.8 t -74.61 124.93 27.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 531' ' ' ASN . . . . . 0.513 ' O ' ' ND2' ' A' ' 531' ' ' ASN . 1.1 t30 -89.6 34.9 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -131.24 -48.14 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.2 p -112.84 -47.09 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.87 31.58 0.86 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -91.41 179.18 5.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.773 0.32 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -148.73 133.79 18.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 537' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' A' ' 539' ' ' PHE . 18.1 m-85 -133.1 100.39 4.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.727 ' O ' HD12 ' A' ' 527' ' ' LEU . 67.8 m -34.52 -34.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 539' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 537' ' ' PHE . 6.3 m-85 -97.91 143.44 28.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 540' ' ' LYS . . . . . 0.53 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 36.2 tttm -66.95 -58.62 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 79.3 p -46.67 -50.71 17.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -46.79 -56.2 6.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 528' ' ' HIS . 24.0 tp -50.79 -48.74 59.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 59.9 mt -57.23 -36.8 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 94.5 mt -68.43 -31.77 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -76.03 -48.64 20.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -48.97 -19.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -55.58 -21.01 15.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 24.2 pt -78.93 -21.4 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 551' ' ' THR . 83.2 m-70 -90.16 -65.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 551' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 550' ' ' HIS . 5.2 t -35.19 -43.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 552' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 553' ' ' GLU . . . 119.03 -36.57 3.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 552' ' ' GLY . 8.3 pt-20 -36.14 146.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 60.0 m -59.27 178.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -174.93 177.5 46.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 97.52 0.64 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.375 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 1.1 t -126.07 42.54 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 1.1 t 42.17 43.08 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 16.1 m -100.64 82.82 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 79.0 p -96.73 173.81 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 123.28 166.91 12.73 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 24.5 m -159.6 166.13 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 6.3 t -63.92 150.93 43.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -81.41 37.11 2.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -145.11 160.61 41.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.383 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.85 52.91 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 4.4 mt -43.76 -49.73 7.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.742 ' HB3' HD22 ' A' ' 543' ' ' LEU . 43.5 m-70 -131.34 104.82 7.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 35.7 tt0 -100.3 154.54 18.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 530' ' ' CYS . . . . . 0.434 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 5.7 t -90.75 118.47 30.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -84.43 32.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -128.09 -52.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.39 -47.78 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.68 33.57 0.75 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 23.9 mttp -93.75 169.43 10.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -131.58 143.24 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -142.81 128.67 19.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 28.8 m -84.22 23.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 539' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 540' ' ' LYS . 11.5 m-85 -153.2 108.61 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 540' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 539' ' ' PHE . 49.3 tttm -37.52 -57.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.3 m -47.65 -53.54 14.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -47.49 -59.76 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.742 HD22 ' HB3' ' A' ' 528' ' ' HIS . 58.2 tp -46.41 -45.81 18.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 53.8 mt -60.94 -37.84 77.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 79.1 mt -68.57 -38.66 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 546' ' ' HIS . . . . . 0.564 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.6 t60 -69.77 -49.05 56.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -47.83 -19.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.408 ' HA ' ' CG2' ' A' ' 551' ' ' THR . 42.5 mtp180 -54.59 -30.94 56.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 24.0 pt -66.26 -20.47 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -92.82 -25.69 18.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 551' ' ' THR . . . . . 0.408 ' CG2' ' HA ' ' A' ' 548' ' ' ARG . 2.5 t -108.53 127.85 54.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 552' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 553' ' ' GLU . . . 70.65 -68.22 0.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 552' ' ' GLY . 15.3 mm-40 -35.5 134.03 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.893 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 14.4 m -133.97 101.99 5.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 143.63 85.18 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -49.54 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 1.6 t 45.06 43.69 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 39.4 m -116.56 -61.41 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.52 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 37.1 p -69.73 99.69 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.899 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 3.1 m -75.69 -46.32 31.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 85.68 -137.31 15.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 6.5 t -126.14 159.75 32.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.89 0.376 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 3.9 t -158.51 112.9 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 139.1 -138.21 9.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.533 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -88.81 124.46 34.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.8 84.12 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 538' ' ' SER . 6.8 mt -53.95 -48.5 70.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.607 ' CE1' ' HB2' ' A' ' 540' ' ' LYS . 64.5 m80 -134.98 95.86 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -91.18 148.92 22.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 14.8 t -85.9 120.35 27.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -84.02 35.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -131.36 -50.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.49 -47.99 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.87 29.4 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -88.45 175.3 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -144.23 134.68 24.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 537' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 538' ' ' SER . 9.5 m-85 -134.13 101.28 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.627 ' O ' HD12 ' A' ' 527' ' ' LEU . 36.8 m -34.88 -36.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 539' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 537' ' ' PHE . 12.2 m-85 -98.45 141.36 31.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 540' ' ' LYS . . . . . 0.607 ' HB2' ' CE1' ' A' ' 528' ' ' HIS . 26.2 tttp -64.93 -59.08 4.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 541' ' ' SER . . . . . 0.418 ' HA ' HD12 ' A' ' 544' ' ' ILE . 84.7 p -45.54 -49.99 13.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -47.96 -60.25 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 528' ' ' HIS . 23.1 tp -45.8 -49.78 14.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 541' ' ' SER . 56.8 mt -55.09 -39.54 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.6 -36.95 78.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -70.96 -46.91 61.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -50.39 -18.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 29.4 mtp85 -57.47 -20.41 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 21.7 pt -78.92 -26.01 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -80.09 -52.15 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 11.7 t -66.21 -20.64 66.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 98.08 87.56 1.88 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -46.51 -55.37 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 1.8 m -152.03 142.84 22.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 134.93 161.98 9.62 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.537 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.8 58.15 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 6.2 t -69.41 86.31 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 24.6 t -158.72 115.06 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 9.9 t -65.64 -45.4 83.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 73.1 m -147.28 114.06 6.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 124.6 70.87 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 24.8 m -130.65 123.4 29.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.842 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 92.8 p -166.95 136.1 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 151.52 -164.36 30.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 525' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 526' ' ' LYS . 35.0 tp10 -171.14 160.76 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 526' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 525' ' ' GLU . 31.8 mtmt -93.91 83.94 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 538' ' ' SER . 8.4 mt -64.32 -45.52 87.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.7 ' HB3' HD22 ' A' ' 543' ' ' LEU . 68.2 m-70 -136.38 106.9 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 15.9 tt0 -99.04 151.06 21.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 530' ' ' CYS . . . . . 0.441 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 20.0 t -87.6 121.28 29.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -84.4 31.89 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 532' ' ' ASN . . . . . 0.45 ' HB3' ' CD2' ' A' ' 550' ' ' HIS . 0.3 OUTLIER -127.07 -54.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.4 p -108.3 -48.19 3.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.91 34.09 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -95.69 -179.93 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 536' ' ' ALA . . . . . 0.497 ' C ' ' CD1' ' A' ' 537' ' ' PHE . . . -144.13 148.11 34.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 537' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 536' ' ' ALA . 6.9 m-85 -146.56 105.05 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.625 ' O ' HD12 ' A' ' 527' ' ' LEU . 43.1 m -38.16 -37.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -95.83 143.8 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 540' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 16.1 ttpt -68.17 -55.38 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 60.7 p -48.7 -48.63 40.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -48.93 -60.35 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 528' ' ' HIS . 28.5 tp -46.3 -47.69 18.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 60.0 mt -57.74 -41.76 80.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.21 -32.93 59.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -72.56 -50.94 22.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -47.64 -20.14 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -52.49 -28.88 22.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.543 HG22 ' CA ' ' A' ' 555' ' ' GLY . 24.7 pt -67.18 -29.15 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.45 ' CD2' ' HB3' ' A' ' 532' ' ' ASN . 77.3 m-70 -81.69 -26.51 34.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 551' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 551' ' ' THR . 9.9 t -111.72 117.85 34.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 63.94 -106.43 1.4 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 553' ' ' GLU . 4.0 pm0 -49.35 174.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 67.4 m -133.06 39.77 3.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.543 ' CA ' HG22 ' A' ' 549' ' ' ILE . . . 73.92 84.12 0.31 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -50.66 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.361 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 19.9 m -53.02 -58.64 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 79.8 p -92.79 104.51 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 45.8 m -143.37 110.12 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 40.2 p -89.3 162.43 15.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 147.02 -146.84 17.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 23.3 t -84.94 43.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 110.837 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 88.3 p -102.14 159.25 15.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 152.79 -122.11 1.25 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 35.7 mp0 -76.39 157.25 32.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.872 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -84.24 84.29 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.25 -47.94 83.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.758 ' HB3' HD22 ' A' ' 543' ' ' LEU . 51.2 m-70 -133.93 104.77 6.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -101.03 146.18 27.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 6.3 t -83.78 119.97 25.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -84.93 12.96 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -103.42 -53.34 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.7 p -108.54 -46.73 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.7 25.79 1.22 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.54 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 19.9 mttm -84.07 175.04 9.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.751 0.31 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -138.89 140.86 38.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.11 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -142.15 129.45 21.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 39.3 m -84.63 25.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 539' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 540' ' ' LYS . 9.2 m-85 -155.44 106.86 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 540' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 539' ' ' PHE . 56.4 tttt -35.28 -56.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 39.8 m -49.55 -52.9 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -47.75 -56.25 7.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 528' ' ' HIS . 52.4 tp -50.95 -45.85 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 51.9 mt -61.08 -36.42 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 95.4 mt -69.17 -35.57 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 546' ' ' HIS . . . . . 0.54 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.8 t60 -73.73 -50.4 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -47.02 -22.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.484 ' HB3' ' CB ' ' A' ' 553' ' ' GLU . 73.9 mtt-85 -53.66 -34.49 58.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 19.1 pt -61.85 -28.84 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -79.04 -63.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 551' ' ' THR . . . . . 0.461 HG23 ' N ' ' A' ' 552' ' ' GLY . 15.1 t -45.03 -42.02 8.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.157 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 552' ' ' GLY . . . . . 0.461 ' N ' HG23 ' A' ' 551' ' ' THR . . . 143.9 59.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.484 ' CB ' ' HB3' ' A' ' 548' ' ' ARG . 9.2 tp10 -132.06 152.67 51.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.899 0.38 . . . . 0.0 110.827 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 31.1 m -80.83 135.76 35.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -64.63 144.41 48.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 177.84 5.17 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 67.9 p -70.06 170.68 10.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 39.0 m -79.72 -61.94 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 1.8 m -84.97 104.76 15.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 35.4 p -134.1 127.83 32.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 120.93 166.81 13.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 37.1 p -76.01 156.33 34.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 4.7 t -172.42 128.34 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -137.99 85.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -169.49 132.86 1.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.911 0.386 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -126.46 85.87 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 538' ' ' SER . 9.3 mt -70.65 -43.12 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.789 ' HB3' HD22 ' A' ' 543' ' ' LEU . 55.7 m-70 -134.96 102.0 5.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -94.88 150.5 20.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 14.0 t -89.67 121.29 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -84.53 31.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -126.79 -52.56 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.3 p -109.75 -48.53 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.5 32.27 0.73 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -93.56 -179.68 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -149.26 142.83 25.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 537' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 537' ' ' PHE . 8.6 m-85 -141.32 105.33 4.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.781 ' O ' HD12 ' A' ' 527' ' ' LEU . 13.8 m -38.09 -34.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -97.95 139.48 33.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 540' ' ' LYS . . . . . 0.453 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 57.6 tttt -64.61 -55.43 20.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 15.5 m -49.28 -50.54 38.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -47.19 -55.02 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.789 HD22 ' HB3' ' A' ' 528' ' ' HIS . 25.5 tp -51.38 -47.13 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 56.5 mt -58.35 -36.92 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 76.8 mt -67.55 -34.86 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -71.53 -51.78 21.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -46.11 -21.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 28.8 mtp85 -50.38 -24.5 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 24.7 pt -73.89 -31.44 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -78.05 -56.29 4.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 12.9 t -60.71 -38.34 84.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 123.99 113.87 2.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -138.92 159.92 40.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 19.6 t -131.71 102.59 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -93.85 142.91 16.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -34.06 15.22 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.724 2.283 . . . . 0.0 112.332 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 1.5 t -123.52 -43.59 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 19.6 m -84.66 163.2 19.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 25.9 m -90.2 87.78 6.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.889 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 26.8 t -142.86 115.01 8.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -108.26 -138.22 8.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 87.9 p -119.24 110.34 16.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 15.4 m -64.76 137.6 57.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -179.71 -156.56 18.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -114.26 136.56 52.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.945 0.402 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -94.19 102.61 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 6.0 mt -92.32 -40.75 10.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.783 ' HB3' HD22 ' A' ' 543' ' ' LEU . 54.8 m-70 -137.98 105.01 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -96.54 150.68 20.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.7 t -90.12 121.5 32.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -85.03 28.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 532' ' ' ASN . . . . . 0.401 HD21 ' HA ' ' A' ' 532' ' ' ASN . 2.0 m120 -122.86 -51.41 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 24.9 p -110.77 -46.82 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 127.05 13.84 2.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -74.08 163.03 28.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.735 0.302 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -128.83 141.0 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -138.27 134.6 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 59.4 m -87.99 25.29 1.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 539' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 540' ' ' LYS . 9.1 m-85 -157.19 107.86 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 540' ' ' LYS . . . . . 0.468 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 51.8 tttp -35.67 -57.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 4.2 m -47.82 -53.27 16.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -47.87 -57.45 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 528' ' ' HIS . 38.4 tp -50.19 -44.15 52.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 56.3 mt -62.79 -36.85 77.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 97.5 mt -69.13 -32.76 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 546' ' ' HIS . . . . . 0.436 ' O ' HG23 ' A' ' 549' ' ' ILE . 10.7 t60 -74.78 -51.29 14.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -48.05 -19.62 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -55.68 -16.45 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 546' ' ' HIS . 21.0 pt -83.14 -27.79 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -79.99 -20.93 44.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 12.8 t -118.24 165.94 13.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -69.94 85.88 0.3 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 555' ' ' GLY . 4.8 tm-20 -123.58 160.33 27.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.353 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 28.5 p -77.21 -56.89 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.493 ' N ' ' OE1' ' A' ' 553' ' ' GLU . . . 63.86 155.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -31.67 20.07 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 60.1 p 50.05 43.74 25.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 1.7 t -78.1 -61.19 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.423 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 9.3 t -94.0 134.57 36.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 73.8 m -109.39 -58.83 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.803 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 61.85 -121.01 24.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.432 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 1.2 t -144.21 148.86 35.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 2.0 t 72.65 41.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -118.88 -162.16 11.98 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.45 109.34 13.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.381 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 526' ' ' LYS . . . . . 0.504 ' NZ ' ' HB2' ' A' ' 536' ' ' ALA . 13.3 mmmt -78.11 79.27 4.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 527' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 538' ' ' SER . 6.1 mt -54.53 -51.94 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.866 ' HB3' HD22 ' A' ' 543' ' ' LEU . 75.6 m-70 -135.02 98.74 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -96.89 148.02 23.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 7.1 t -85.47 122.72 30.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -86.29 19.33 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 532' ' ' ASN . . . . . 0.402 HD21 ' HA ' ' A' ' 532' ' ' ASN . 2.5 m120 -113.09 -47.97 3.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 27.0 p -113.16 -48.11 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.44 30.8 0.88 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -92.31 -179.86 5.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 536' ' ' ALA . . . . . 0.504 ' HB2' ' NZ ' ' A' ' 526' ' ' LYS . . . -147.25 141.61 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 537' ' ' PHE . . . . . 0.469 ' N ' ' CD1' ' A' ' 537' ' ' PHE . 2.9 m-85 -140.32 105.71 5.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.643 ' O ' HD12 ' A' ' 527' ' ' LEU . 60.2 m -41.07 -33.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -97.95 139.36 33.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 540' ' ' LYS . . . . . 0.479 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 75.9 tttt -65.81 -54.49 26.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 92.4 p -50.79 -49.62 57.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -48.26 -58.09 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.866 HD22 ' HB3' ' A' ' 528' ' ' HIS . 13.4 tp -47.67 -49.25 28.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 60.4 mt -55.68 -39.75 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 545' ' ' ILE . . . . . 0.621 HG23 ' NH1' ' A' ' 548' ' ' ARG . 90.5 mt -65.83 -33.01 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 546' ' ' HIS . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 537' ' ' PHE . 9.9 t60 -73.59 -51.03 18.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -48.28 -19.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 548' ' ' ARG . . . . . 0.621 ' NH1' HG23 ' A' ' 545' ' ' ILE . 86.3 mtt180 -55.04 -22.46 15.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 29.3 pt -75.14 -29.45 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -82.2 -52.0 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 15.4 t -71.49 -13.85 61.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 64.86 88.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -98.36 148.39 23.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.923 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 3.1 m -49.22 -59.54 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 87.77 84.59 1.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -47.49 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.643 2.229 . . . . 0.0 112.36 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 11.5 t -89.21 -49.53 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 85.1 p -147.23 158.51 43.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 47.3 t -73.24 85.63 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 35.2 t -136.14 161.96 34.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 157.72 48.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 28.2 m -83.57 108.32 16.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 64.6 p -173.52 152.77 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 138.43 -116.98 1.36 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.56 126.64 30.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.879 0.371 . . . . 0.0 110.925 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.3 86.92 4.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.11 -33.08 65.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 528' ' ' HIS . . . . . 0.74 ' HB3' HD22 ' A' ' 543' ' ' LEU . 56.4 m-70 -138.62 104.97 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -95.98 154.41 17.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 13.3 t -94.11 117.58 30.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -83.25 36.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 532' ' ' ASN . . . . . 0.418 ' HB3' ' CD2' ' A' ' 550' ' ' HIS . 0.1 OUTLIER -132.69 -52.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 29.0 p -109.74 -47.47 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.31 26.62 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -89.28 157.52 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -123.09 137.36 54.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -133.34 131.04 39.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 538' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 539' ' ' PHE . 1.1 t -84.32 23.7 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 539' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 538' ' ' SER . 15.1 m-85 -155.13 106.12 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 540' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 539' ' ' PHE . 23.9 ttpt -34.79 -57.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 35.2 p -47.92 -53.52 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -47.08 -59.47 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 528' ' ' HIS . 49.2 tp -47.66 -46.24 28.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.59 -36.76 72.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 79.9 mt -70.11 -36.07 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -70.39 -49.63 47.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -46.98 -22.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -50.71 -17.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 550' ' ' HIS . 33.4 pt -81.57 -31.94 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.43 ' N ' HG13 ' A' ' 549' ' ' ILE . 60.5 m-70 -86.23 20.42 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 14.7 t -145.75 171.01 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -79.59 52.1 4.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -83.63 148.5 27.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 3.1 m 48.54 38.85 11.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 105.45 167.91 23.72 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 113.93 3.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.239 . . . . 0.0 112.369 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 2.3 m -55.54 151.91 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 20.2 m -129.04 147.61 50.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.794 ' HB3' HD22 ' A' ' 543' ' ' LEU . 60.3 m-70 -136.99 106.94 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -99.67 150.33 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.8 t -85.07 121.66 28.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -87.88 32.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -128.05 -54.68 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 27.0 p -105.94 -47.24 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.24 29.16 0.95 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.444 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 35.7 mttt -88.66 173.63 8.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -138.26 142.71 39.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -142.6 133.24 25.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 62.9 m -86.47 23.16 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -152.06 111.31 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . 0.538 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 25.4 ttpp -39.95 -55.24 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . 0.412 ' HA ' HD12 ' A' ' 544' ' ' ILE . 61.0 p -52.34 -51.4 59.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -48.61 -56.19 9.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 528' ' ' HIS . 48.6 tp -49.89 -46.54 51.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 541' ' ' SER . 44.0 mt -60.21 -37.91 75.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.45 -30.38 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . 0.562 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 12.0 t60 -79.27 -49.0 13.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -49.36 -18.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -56.86 -29.87 63.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 21.0 pt -65.91 -29.52 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.865 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 538' ' ' SER . 3.2 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.819 0.343 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.742 ' HB3' HD22 ' A' ' 543' ' ' LEU . 77.1 m-70 -143.64 106.32 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.828 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -102.81 150.9 23.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 13.1 t -87.8 121.77 30.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -85.05 30.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -125.69 -52.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 24.3 p -110.02 -46.66 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.79 30.01 1.0 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.43 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 11.0 mttm -90.02 174.19 7.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -143.21 142.82 31.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.112 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -141.16 108.29 5.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.761 ' O ' HD12 ' A' ' 527' ' ' LEU . 4.6 t -44.08 -26.89 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -104.46 139.04 39.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -63.72 -61.63 2.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 80.3 p -45.07 -52.06 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -45.07 -60.09 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.742 HD22 ' HB3' ' A' ' 528' ' ' HIS . 14.4 tp -46.35 -50.6 16.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 62.8 mt -54.47 -41.0 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.37 -32.12 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . 0.43 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.3 t60 -75.03 -48.82 22.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -47.74 -21.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -52.91 -28.68 24.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 27.0 pt -67.97 -26.54 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.847 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 538' ' ' SER . 4.5 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.811 0.339 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.627 ' HB3' HD22 ' A' ' 543' ' ' LEU . 66.0 m-70 -141.03 105.78 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -103.22 140.36 37.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.7 t -76.82 120.41 21.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -84.29 33.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -129.23 -51.63 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 22.9 p -109.75 -47.61 3.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.24 27.55 1.09 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.455 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 25.2 mttt -86.8 178.29 7.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -147.62 136.98 22.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 537' ' ' PHE . 8.9 m-85 -135.08 105.94 6.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.736 ' O ' HD12 ' A' ' 527' ' ' LEU . 35.9 m -39.11 -32.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . 0.429 ' HB2' ' NE2' ' A' ' 542' ' ' GLN . 13.0 m-85 -100.9 142.91 31.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -64.6 -62.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.0 t -43.92 -52.66 6.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . 0.429 ' NE2' ' HB2' ' A' ' 539' ' ' PHE . 63.7 mt-30 -43.28 -58.36 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' A' ' 528' ' ' HIS . 28.2 tp -50.82 -48.67 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 68.0 mt -56.76 -33.95 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 91.8 mt -70.93 -34.15 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . 0.455 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 10.6 t60 -75.63 -46.89 29.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -50.12 -18.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -57.93 -27.35 63.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 546' ' ' HIS . 20.6 pt -68.23 -29.36 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.86 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.437 HD12 ' CA ' ' A' ' 538' ' ' SER . 9.5 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.83 0.348 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.676 ' HB3' HD22 ' A' ' 543' ' ' LEU . 49.7 m-70 -132.75 108.93 9.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 34.3 tt0 -101.66 156.4 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . 0.414 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 8.6 t -94.13 119.28 32.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -84.21 24.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -117.51 -53.5 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.5 p -108.46 -48.3 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.92 29.38 0.88 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.583 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 15.5 mttm -89.3 169.59 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -132.31 144.81 50.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.076 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -144.88 128.82 17.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.437 ' CA ' HD12 ' A' ' 527' ' ' LEU . 3.5 m -84.57 25.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 540' ' ' LYS . 10.6 m-85 -154.11 105.03 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 539' ' ' PHE . 25.3 ttpt -35.01 -55.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 2.6 m -50.17 -52.7 33.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -47.91 -59.71 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 528' ' ' HIS . 54.7 tp -45.75 -44.61 13.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 57.6 mt -62.03 -40.12 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 92.3 mt -66.64 -35.4 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . 0.583 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.4 t60 -71.3 -51.67 23.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -48.36 -19.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -55.4 -17.07 4.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 29.9 pt -80.22 -28.37 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.881 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 538' ' ' SER . 6.2 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.715 ' HB3' HD22 ' A' ' 543' ' ' LEU . 61.1 m-70 -135.03 102.96 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -99.71 146.93 25.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.9 t -85.61 118.89 25.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -84.21 34.99 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -130.43 -50.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.4 p -110.82 -48.23 3.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.71 35.25 0.61 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -97.58 176.31 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -145.68 137.33 25.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 539' ' ' PHE . 12.4 m-85 -134.92 101.05 4.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.713 ' O ' HD12 ' A' ' 527' ' ' LEU . 2.4 t -36.79 -30.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 537' ' ' PHE . 7.8 m-85 -102.81 136.9 41.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . 0.551 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 5.3 ttpm? -61.98 -63.46 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 544' ' ' ILE . 83.1 p -41.64 -48.35 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -50.03 -61.56 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 528' ' ' HIS . 36.8 tp -44.96 -47.31 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 541' ' ' SER . 62.9 mt -57.19 -39.16 65.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.56 -38.17 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -69.3 -51.5 36.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -45.65 -23.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -49.87 -33.45 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 550' ' ' HIS . 23.8 pt -62.99 -31.2 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.405 ' N ' HG13 ' A' ' 549' ' ' ILE . 82.6 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 538' ' ' SER . 5.7 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.848 0.356 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.791 ' HB3' HD22 ' A' ' 543' ' ' LEU . 61.2 m-70 -135.28 105.79 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -101.08 149.39 24.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 12.4 t -89.21 118.2 28.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -83.16 37.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -132.81 -53.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.7 p -108.79 -47.86 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.47 37.57 0.55 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -100.18 174.87 5.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -143.35 137.58 28.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 538' ' ' SER . 12.2 m-85 -134.93 100.83 4.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.65 ' O ' HD12 ' A' ' 527' ' ' LEU . 44.0 m -34.56 -35.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 537' ' ' PHE . 12.2 m-85 -96.71 142.78 28.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . 0.401 ' HB2' ' NE2' ' A' ' 528' ' ' HIS . 28.1 ttpt -66.5 -58.89 4.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 4.9 m -45.7 -51.47 12.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -45.69 -61.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 528' ' ' HIS . 30.9 tp -47.01 -49.74 20.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.39 -39.12 51.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 89.1 mt -66.47 -39.24 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -69.75 -49.92 48.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -44.86 -23.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -50.93 -36.61 39.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 28.9 pt -57.07 -25.89 23.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.876 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 538' ' ' SER . 3.2 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.73 ' HB3' HD22 ' A' ' 543' ' ' LEU . 71.7 m-70 -135.04 100.23 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -97.68 152.54 18.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 12.0 t -89.84 120.91 31.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -84.73 33.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -129.69 -51.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.4 p -110.69 -48.34 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.81 32.15 0.77 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -92.59 179.53 5.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -149.01 142.75 25.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.069 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -141.16 104.97 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.554 ' O ' HD12 ' A' ' 527' ' ' LEU . 2.3 t -39.97 -31.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -101.58 134.94 43.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -59.34 -62.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . 0.416 ' HA ' HD12 ' A' ' 544' ' ' ILE . 91.1 p -42.66 -49.56 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -48.38 -61.16 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.73 HD22 ' HB3' ' A' ' 528' ' ' HIS . 12.2 tp -46.05 -48.62 16.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 541' ' ' SER . 57.3 mt -56.53 -38.89 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.35 -31.84 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -75.69 -48.57 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -48.52 -19.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -55.32 -28.51 54.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 20.6 pt -69.99 -27.07 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.904 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 538' ' ' SER . 5.5 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.842 0.354 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.631 ' HB3' HD22 ' A' ' 543' ' ' LEU . 73.0 m-70 -134.97 101.19 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -96.44 155.18 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.6 t -91.3 119.8 31.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -83.92 34.33 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -130.49 -49.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.8 p -113.21 -46.18 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.06 28.82 1.08 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.496 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 26.7 mttp -87.79 175.2 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -145.08 142.67 29.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -141.92 107.8 5.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.7 ' O ' HD12 ' A' ' 527' ' ' LEU . 1.4 t -45.72 -22.55 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . 0.434 ' HB2' ' CD ' ' A' ' 542' ' ' GLN . 5.9 m-85 -111.31 134.17 53.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -58.09 -64.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 6.1 m -40.63 -52.95 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . 0.434 ' CD ' ' HB2' ' A' ' 539' ' ' PHE . 73.3 mt-30 -46.12 -54.67 8.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.631 HD22 ' HB3' ' A' ' 528' ' ' HIS . 19.9 tp -52.1 -50.04 62.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 59.9 mt -54.96 -34.92 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 83.2 mt -68.56 -36.2 73.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . 0.496 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.1 t60 -74.41 -48.82 25.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.826 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -47.74 -20.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 -53.64 -31.81 48.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.813 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 22.2 pt -65.47 -26.75 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.922 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 538' ' ' SER . 6.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.832 0.348 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.609 ' HB3' HD22 ' A' ' 543' ' ' LEU . 59.2 m-70 -135.03 99.85 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -92.82 152.02 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 13.2 t -89.23 126.14 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -88.08 30.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -125.52 -48.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 20.7 p -114.02 -49.32 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 128.08 28.21 0.87 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -88.66 179.29 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . 0.461 ' C ' ' CD1' ' A' ' 537' ' ' PHE . . . -146.26 145.86 30.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 536' ' ' ALA . 5.3 m-85 -143.62 106.91 4.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.634 ' O ' HD12 ' A' ' 527' ' ' LEU . 9.0 t -41.66 -27.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -105.66 136.25 45.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -61.22 -62.68 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . 0.433 ' HA ' HD12 ' A' ' 544' ' ' ILE . 71.6 p -43.02 -48.53 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -49.24 -59.75 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 528' ' ' HIS . 29.5 tp -46.62 -46.26 19.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 541' ' ' SER . 46.1 mt -60.51 -37.17 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.12 -29.78 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -77.59 -46.48 22.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -50.02 -18.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -56.99 -22.75 40.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 20.7 pt -77.24 -21.23 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.869 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.73 HD12 ' O ' ' A' ' 538' ' ' SER . 3.4 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.824 0.345 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.653 ' HB3' HD22 ' A' ' 543' ' ' LEU . 75.0 m-70 -136.22 121.38 19.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 39.7 tt0 -113.9 151.19 32.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 5.4 t -91.48 110.35 21.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -71.87 1.35 7.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . 0.576 ' CB ' ' CD2' ' A' ' 550' ' ' HIS . 59.2 m-20 -91.19 -56.98 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.5 p -108.2 -48.14 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 127.42 26.09 1.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -83.97 179.83 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -144.11 135.29 25.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 539' ' ' PHE . 26.3 m-85 -135.02 100.08 4.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.73 ' O ' HD12 ' A' ' 527' ' ' LEU . 63.4 m -36.66 -33.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 537' ' ' PHE . 9.7 m-85 -98.85 138.71 35.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . 0.407 ' HB2' ' NE2' ' A' ' 528' ' ' HIS . 44.9 tttm -62.88 -56.03 20.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 82.7 p -48.7 -50.59 32.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -46.79 -60.65 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' A' ' 528' ' ' HIS . 19.0 tp -46.66 -48.59 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 57.3 mt -57.63 -41.18 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.08 -39.74 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . 0.415 ' CG ' ' CZ ' ' A' ' 537' ' ' PHE . 10.7 t60 -67.24 -50.55 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -45.77 -24.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -48.53 -31.65 6.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 550' ' ' HIS . 26.5 pt -65.42 -32.42 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.576 ' CD2' ' CB ' ' A' ' 532' ' ' ASN . 88.4 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 538' ' ' SER . 9.6 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.777 0.322 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.773 ' HB3' HD22 ' A' ' 543' ' ' LEU . 59.6 m-70 -135.03 102.82 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -96.37 151.35 19.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 10.1 t -90.36 118.53 29.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -83.64 35.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -131.1 -52.75 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.4 p -108.9 -48.24 3.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.48 37.08 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -100.48 178.39 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -146.71 143.6 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.098 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 537' ' ' PHE . 7.8 m-85 -141.44 105.08 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.76 ' O ' HD12 ' A' ' 527' ' ' LEU . 49.9 m -37.78 -35.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -96.81 142.08 29.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 47.7 tttm -69.17 -51.19 40.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 60.6 p -52.1 -47.77 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -51.19 -58.95 4.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.773 HD22 ' HB3' ' A' ' 528' ' ' HIS . 24.6 tp -45.15 -48.34 12.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 58.2 mt -56.15 -41.85 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.61 -36.65 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -72.35 -51.57 19.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -47.41 -21.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -53.24 -32.73 49.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 550' ' ' HIS . 25.3 pt -61.25 -33.11 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.446 ' N ' HG13 ' A' ' 549' ' ' ILE . 81.7 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' ' 538' ' ' SER . 4.4 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.793 0.33 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.721 ' HB3' HD22 ' A' ' 543' ' ' LEU . 55.6 m-70 -134.98 98.05 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -95.97 137.64 34.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.8 t -74.61 124.93 27.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -89.6 34.9 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -131.24 -48.14 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.2 p -112.84 -47.09 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.87 31.58 0.86 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -91.41 179.18 5.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.773 0.32 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -148.73 133.79 18.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' A' ' 539' ' ' PHE . 18.1 m-85 -133.1 100.39 4.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.727 ' O ' HD12 ' A' ' 527' ' ' LEU . 67.8 m -34.52 -34.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 537' ' ' PHE . 6.3 m-85 -97.91 143.44 28.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . 0.53 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 36.2 tttm -66.95 -58.62 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 79.3 p -46.67 -50.71 17.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -46.79 -56.2 6.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 528' ' ' HIS . 24.0 tp -50.79 -48.74 59.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 59.9 mt -57.23 -36.8 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 94.5 mt -68.43 -31.77 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -76.03 -48.64 20.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . 0.475 HE21 HD11 ' A' ' 543' ' ' LEU . 72.9 mt-30 -48.97 -19.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -55.58 -21.01 15.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 24.2 pt -78.93 -21.4 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 179.91 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.817 0.341 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.742 ' HB3' HD22 ' A' ' 543' ' ' LEU . 43.5 m-70 -131.34 104.82 7.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 35.7 tt0 -100.3 154.54 18.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . 0.434 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 5.7 t -90.75 118.47 30.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -84.43 32.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -128.09 -52.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.39 -47.78 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.68 33.57 0.75 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 23.9 mttp -93.75 169.43 10.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -131.58 143.24 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -142.81 128.67 19.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 28.8 m -84.22 23.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 540' ' ' LYS . 11.5 m-85 -153.2 108.61 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 539' ' ' PHE . 49.3 tttm -37.52 -57.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.3 m -47.65 -53.54 14.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -47.49 -59.76 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.742 HD22 ' HB3' ' A' ' 528' ' ' HIS . 58.2 tp -46.41 -45.81 18.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 53.8 mt -60.94 -37.84 77.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 79.1 mt -68.57 -38.66 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . 0.564 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.6 t60 -69.77 -49.05 56.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -47.83 -19.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -54.59 -30.94 56.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 24.0 pt -66.26 -20.47 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.881 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 538' ' ' SER . 6.8 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.558 ' HB3' HD22 ' A' ' 543' ' ' LEU . 58.7 m-70 -134.98 95.86 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -91.18 148.92 22.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 14.8 t -85.9 120.35 27.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -84.02 35.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -131.36 -50.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.49 -47.99 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.87 29.4 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -88.45 175.3 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -144.23 134.68 24.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 538' ' ' SER . 9.5 m-85 -134.13 101.28 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.627 ' O ' HD12 ' A' ' 527' ' ' LEU . 36.8 m -34.88 -36.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 537' ' ' PHE . 12.2 m-85 -98.45 141.36 31.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . 0.553 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 26.2 tttp -64.93 -59.08 4.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . 0.418 ' HA ' HD12 ' A' ' 544' ' ' ILE . 84.7 p -45.54 -49.99 13.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -47.96 -60.25 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 528' ' ' HIS . 23.1 tp -45.8 -49.78 14.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 541' ' ' SER . 56.8 mt -55.09 -39.54 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.6 -36.95 78.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -70.96 -46.91 61.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -50.39 -18.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 29.4 mtp85 -57.47 -20.41 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 21.7 pt -78.92 -26.01 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.872 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 538' ' ' SER . 8.4 mt . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.874 0.369 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.7 ' HB3' HD22 ' A' ' 543' ' ' LEU . 68.2 m-70 -136.38 106.9 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 15.9 tt0 -99.04 151.06 21.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . 0.441 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 20.0 t -87.6 121.28 29.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -84.4 31.89 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . 0.45 ' HB3' ' CD2' ' A' ' 550' ' ' HIS . 0.3 OUTLIER -127.07 -54.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.4 p -108.3 -48.19 3.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.91 34.09 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -95.69 -179.93 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . 0.497 ' C ' ' CD1' ' A' ' 537' ' ' PHE . . . -144.13 148.11 34.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 536' ' ' ALA . 6.9 m-85 -146.56 105.05 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.625 ' O ' HD12 ' A' ' 527' ' ' LEU . 43.1 m -38.16 -37.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -95.83 143.8 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 16.1 ttpt -68.17 -55.38 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 60.7 p -48.7 -48.63 40.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -48.93 -60.35 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 528' ' ' HIS . 28.5 tp -46.3 -47.69 18.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 60.0 mt -57.74 -41.76 80.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.21 -32.93 59.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -72.56 -50.94 22.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -47.64 -20.14 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -52.49 -28.88 22.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 550' ' ' HIS . 24.7 pt -67.18 -29.15 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.45 ' CD2' ' HB3' ' A' ' 532' ' ' ASN . 77.3 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.888 0.375 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.758 ' HB3' HD22 ' A' ' 543' ' ' LEU . 51.2 m-70 -133.93 104.77 6.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -101.03 146.18 27.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 6.3 t -83.78 119.97 25.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -84.93 12.96 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -103.42 -53.34 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.7 p -108.54 -46.73 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.7 25.79 1.22 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.54 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 19.9 mttm -84.07 175.04 9.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.751 0.31 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -138.89 140.86 38.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.11 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -142.15 129.45 21.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 39.3 m -84.63 25.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 540' ' ' LYS . 9.2 m-85 -155.44 106.86 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 539' ' ' PHE . 56.4 tttt -35.28 -56.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 39.8 m -49.55 -52.9 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -47.75 -56.25 7.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 528' ' ' HIS . 52.4 tp -50.95 -45.85 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 51.9 mt -61.08 -36.42 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 95.4 mt -69.17 -35.57 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . 0.54 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.8 t60 -73.73 -50.4 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -47.02 -22.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -53.66 -34.49 58.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 19.1 pt -61.85 -28.84 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 538' ' ' SER . 9.3 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.789 ' HB3' HD22 ' A' ' 543' ' ' LEU . 55.7 m-70 -134.96 102.0 5.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -94.88 150.5 20.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 14.0 t -89.67 121.29 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -84.53 31.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -126.79 -52.56 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.3 p -109.75 -48.53 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.5 32.27 0.73 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -93.56 -179.68 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -149.26 142.83 25.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 537' ' ' PHE . 8.6 m-85 -141.32 105.33 4.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.781 ' O ' HD12 ' A' ' 527' ' ' LEU . 13.8 m -38.09 -34.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -97.95 139.48 33.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . 0.453 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 57.6 tttt -64.61 -55.43 20.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 15.5 m -49.28 -50.54 38.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -47.19 -55.02 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.789 HD22 ' HB3' ' A' ' 528' ' ' HIS . 25.5 tp -51.38 -47.13 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 56.5 mt -58.35 -36.92 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 76.8 mt -67.55 -34.86 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -71.53 -51.78 21.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -46.11 -21.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 28.8 mtp85 -50.38 -24.5 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 24.7 pt -73.89 -31.44 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.903 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.855 0.36 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.783 ' HB3' HD22 ' A' ' 543' ' ' LEU . 54.8 m-70 -137.98 105.01 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -96.54 150.68 20.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.7 t -90.12 121.5 32.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -85.03 28.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . 0.463 HD22 ' CG ' ' A' ' 550' ' ' HIS . 35.7 m-20 -122.86 -51.41 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 24.9 p -110.77 -46.82 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 127.05 13.84 2.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -74.08 163.03 28.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.735 0.302 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -128.83 141.0 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -138.27 134.6 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 59.4 m -87.99 25.29 1.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 540' ' ' LYS . 9.1 m-85 -157.19 107.86 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . 0.468 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 51.8 tttp -35.67 -57.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 4.2 m -47.82 -53.27 16.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -47.87 -57.45 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 528' ' ' HIS . 38.4 tp -50.19 -44.15 52.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 56.3 mt -62.79 -36.85 77.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 97.5 mt -69.13 -32.76 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . 0.436 ' O ' HG23 ' A' ' 549' ' ' ILE . 10.7 t60 -74.78 -51.29 14.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -48.05 -19.62 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -55.68 -16.45 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 546' ' ' HIS . 21.0 pt -83.14 -27.79 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.463 ' CG ' HD22 ' A' ' 532' ' ' ASN . 88.5 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 538' ' ' SER . 6.1 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.848 0.356 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.866 ' HB3' HD22 ' A' ' 543' ' ' LEU . 75.6 m-70 -135.02 98.74 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -96.89 148.02 23.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 7.1 t -85.47 122.72 30.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -86.29 19.33 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . 0.417 HD22 ' CB ' ' A' ' 550' ' ' HIS . 49.6 m-20 -113.09 -47.97 3.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 27.0 p -113.16 -48.11 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.44 30.8 0.88 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -92.31 -179.86 5.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . 0.426 ' C ' ' CD1' ' A' ' 537' ' ' PHE . . . -147.25 141.61 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . 0.469 ' N ' ' CD1' ' A' ' 537' ' ' PHE . 2.9 m-85 -140.32 105.71 5.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.643 ' O ' HD12 ' A' ' 527' ' ' LEU . 60.2 m -41.07 -33.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -97.95 139.36 33.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . 0.479 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 75.9 tttt -65.81 -54.49 26.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 92.4 p -50.79 -49.62 57.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -48.26 -58.09 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.866 HD22 ' HB3' ' A' ' 528' ' ' HIS . 13.4 tp -47.67 -49.25 28.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 60.4 mt -55.68 -39.75 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . 0.621 HG23 ' NH1' ' A' ' 548' ' ' ARG . 90.5 mt -65.83 -33.01 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 537' ' ' PHE . 9.9 t60 -73.59 -51.03 18.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -48.28 -19.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . 0.621 ' NH1' HG23 ' A' ' 545' ' ' ILE . 86.3 mtt180 -55.04 -22.46 15.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 29.3 pt -75.14 -29.45 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.417 ' CB ' HD22 ' A' ' 532' ' ' ASN . 81.5 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 528' ' ' HIS . . . . . 0.74 ' HB3' HD22 ' A' ' 543' ' ' LEU . 56.4 m-70 -138.62 104.97 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -95.98 154.41 17.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 13.3 t -94.11 117.58 30.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -83.25 36.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 532' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 550' ' ' HIS . 3.6 t-20 -132.69 -52.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 29.0 p -109.74 -47.47 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.31 26.62 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -89.28 157.52 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -123.09 137.36 54.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -133.34 131.04 39.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 538' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 539' ' ' PHE . 1.1 t -84.32 23.7 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 538' ' ' SER . 15.1 m-85 -155.13 106.12 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 540' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 539' ' ' PHE . 23.9 ttpt -34.79 -57.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 35.2 p -47.92 -53.52 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -47.08 -59.47 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 528' ' ' HIS . 49.2 tp -47.66 -46.24 28.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.59 -36.76 72.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 79.9 mt -70.11 -36.07 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -70.39 -49.63 47.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -46.98 -22.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -50.71 -17.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 550' ' ' HIS . 33.4 pt -81.57 -31.94 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.468 ' HB3' ' ND2' ' A' ' 532' ' ' ASN . 60.5 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 49.7 m -141.68 121.07 13.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 36.6 t -58.71 128.58 37.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 160.2 57.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 79.2 p -90.22 115.56 27.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.369 . . . . 0.0 110.906 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 2.9 m -107.12 154.02 21.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 60.95 176.15 1.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -70.21 143.11 52.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.944 0.402 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -85.01 83.84 7.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 7.7 mt -73.49 -43.14 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.794 ' HB3' HD22 ' A' ' 543' ' ' LEU . 60.3 m-70 -136.99 106.94 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -99.67 150.33 22.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.8 t -85.07 121.66 28.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -87.88 32.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -128.05 -54.68 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 27.0 p -105.94 -47.24 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.24 29.16 0.95 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.444 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 35.7 mttt -88.66 173.63 8.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -138.26 142.71 39.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -142.6 133.24 25.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 62.9 m -86.47 23.16 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -152.06 111.31 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . 0.538 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 25.4 ttpp -39.95 -55.24 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . 0.412 ' HA ' HD12 ' A' ' 544' ' ' ILE . 61.0 p -52.34 -51.4 59.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -48.61 -56.19 9.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 528' ' ' HIS . 48.6 tp -49.89 -46.54 51.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 541' ' ' SER . 44.0 mt -60.21 -37.91 75.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.45 -30.38 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . 0.562 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 12.0 t60 -79.27 -49.0 13.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -49.36 -18.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.46 ' HA ' HG22 ' A' ' 551' ' ' THR . 33.6 mtm180 -56.86 -29.87 63.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 21.0 pt -65.91 -29.52 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -82.65 -33.75 27.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 548' ' ' ARG . 11.6 t -99.9 173.64 6.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -90.32 113.73 4.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.431 ' CG ' ' HB3' ' A' ' 548' ' ' ARG . 30.4 mt-10 -80.87 178.24 8.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 88.2 p -146.25 111.36 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -161.29 -158.23 9.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 162.62 41.38 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 1.1 t -83.82 129.63 34.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 13.1 t -160.81 143.72 12.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.416 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 2.6 m -159.4 137.3 10.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 35.5 p -73.06 -57.3 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -131.7 166.44 23.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 88.3 p -102.47 85.36 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 0.0 110.833 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 93.4 p -95.98 159.07 15.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -167.73 81.19 0.1 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -124.86 111.14 15.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.92 50.53 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 538' ' ' SER . 3.2 mt -44.12 -33.87 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.742 ' HB3' HD22 ' A' ' 543' ' ' LEU . 77.1 m-70 -143.64 106.32 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.828 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -102.81 150.9 23.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 13.1 t -87.8 121.77 30.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -85.05 30.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -125.69 -52.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 24.3 p -110.02 -46.66 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.79 30.01 1.0 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.43 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 11.0 mttm -90.02 174.19 7.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -143.21 142.82 31.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.112 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -141.16 108.29 5.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.761 ' O ' HD12 ' A' ' 527' ' ' LEU . 4.6 t -44.08 -26.89 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -104.46 139.04 39.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -63.72 -61.63 2.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 80.3 p -45.07 -52.06 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -45.07 -60.09 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.742 HD22 ' HB3' ' A' ' 528' ' ' HIS . 14.4 tp -46.35 -50.6 16.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 62.8 mt -54.47 -41.0 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.37 -32.12 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . 0.43 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.3 t60 -75.03 -48.82 22.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -47.74 -21.26 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -52.91 -28.68 24.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 27.0 pt -67.97 -26.54 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 551' ' ' THR . 83.9 m-70 -85.73 -67.08 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . 0.552 HG23 ' N ' ' A' ' 552' ' ' GLY . 15.1 t -34.44 -47.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . 0.552 ' N ' HG23 ' A' ' 551' ' ' THR . . . 142.36 -59.64 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -40.15 144.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 43.1 t -76.09 112.56 12.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.815 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -119.38 153.13 16.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.449 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 176.63 6.5 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.352 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 3.4 m 56.65 41.3 28.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 69.5 m -73.13 171.98 11.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.475 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 2.3 m -122.34 83.19 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.882 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 36.0 t -74.74 99.57 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -131.01 -161.1 10.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 39.6 m -111.37 113.62 26.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.351 . . . . 0.0 110.841 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 90.4 p -88.57 -42.72 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 143.08 -65.2 0.48 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.29 121.06 26.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -91.85 75.17 5.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 538' ' ' SER . 4.5 mt -43.99 -45.72 7.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.627 ' HB3' HD22 ' A' ' 543' ' ' LEU . 66.0 m-70 -141.03 105.78 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -103.22 140.36 37.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.7 t -76.82 120.41 21.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -84.29 33.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -129.23 -51.63 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 22.9 p -109.75 -47.61 3.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.24 27.55 1.09 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.455 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 25.2 mttt -86.8 178.29 7.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -147.62 136.98 22.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 537' ' ' PHE . 8.9 m-85 -135.08 105.94 6.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.736 ' O ' HD12 ' A' ' 527' ' ' LEU . 35.9 m -39.11 -32.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . 0.429 ' HB2' ' NE2' ' A' ' 542' ' ' GLN . 13.0 m-85 -100.9 142.91 31.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -64.6 -62.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.0 t -43.92 -52.66 6.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.429 ' NE2' ' HB2' ' A' ' 539' ' ' PHE . 63.7 mt-30 -43.28 -58.36 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' A' ' 528' ' ' HIS . 28.2 tp -50.82 -48.67 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 68.0 mt -56.76 -33.95 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 91.8 mt -70.93 -34.15 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . 0.455 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 10.6 t60 -75.63 -46.89 29.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -50.12 -18.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -57.93 -27.35 63.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 546' ' ' HIS . 20.6 pt -68.23 -29.36 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -78.36 -52.88 7.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 5.9 t -72.32 -0.96 13.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 85.51 121.44 1.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -93.06 115.56 28.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 1.3 t -111.33 151.87 27.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 139.49 -174.14 22.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.36 37.58 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 29.2 m -85.73 176.53 8.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 559' ' ' GLY . 73.3 m -107.48 134.27 50.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 558' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.521 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 2.4 t -113.28 88.19 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.939 0.399 . . . . 0.0 110.903 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 12.5 t -171.49 130.27 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -124.68 -140.57 5.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 38.3 m -63.8 126.2 26.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 8.4 m -69.35 -51.05 40.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -144.98 -113.12 0.84 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.531 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -82.7 137.24 34.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.956 0.407 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -76.65 84.99 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.437 HD12 ' CA ' ' A' ' 538' ' ' SER . 9.5 mt -75.74 -48.53 21.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.676 ' HB3' HD22 ' A' ' 543' ' ' LEU . 49.7 m-70 -132.75 108.93 9.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 34.3 tt0 -101.66 156.4 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . 0.414 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 8.6 t -94.13 119.28 32.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -84.21 24.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -117.51 -53.5 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.5 p -108.46 -48.3 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.92 29.38 0.88 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.583 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 15.5 mttm -89.3 169.59 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -132.31 144.81 50.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.076 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -144.88 128.82 17.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.437 ' CA ' HD12 ' A' ' 527' ' ' LEU . 3.5 m -84.57 25.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 540' ' ' LYS . 10.6 m-85 -154.11 105.03 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 539' ' ' PHE . 25.3 ttpt -35.01 -55.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 2.6 m -50.17 -52.7 33.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -47.91 -59.71 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 528' ' ' HIS . 54.7 tp -45.75 -44.61 13.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 57.6 mt -62.03 -40.12 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 92.3 mt -66.64 -35.4 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . 0.583 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.4 t60 -71.3 -51.67 23.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -48.36 -19.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -55.4 -17.07 4.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 29.9 pt -80.22 -28.37 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -82.65 -61.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 14.4 t -42.68 -36.03 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 145.31 -93.33 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 62.84 47.99 4.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 4.9 t -135.83 122.41 20.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -152.24 -161.53 10.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 2.44 3.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.39 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 94.9 p -76.6 168.41 20.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 81.6 p -123.93 112.39 17.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.526 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 2.9 t -84.81 148.42 26.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 62.3 m -135.18 140.89 45.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -168.33 46.69 0.23 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 11.0 t -138.15 118.75 13.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 28.3 t -114.14 90.79 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 54.12 -159.05 5.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . 0.627 ' O ' HD23 ' A' ' 527' ' ' LEU . 34.9 tt0 41.96 46.48 3.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.369 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.24 101.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 538' ' ' SER . 6.2 mt -63.67 -48.05 78.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.715 ' HB3' HD22 ' A' ' 543' ' ' LEU . 61.1 m-70 -135.03 102.96 5.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -99.71 146.93 25.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.9 t -85.61 118.89 25.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -84.21 34.99 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -130.43 -50.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.4 p -110.82 -48.23 3.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.71 35.25 0.61 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -97.58 176.31 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -145.68 137.33 25.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 539' ' ' PHE . 12.4 m-85 -134.92 101.05 4.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.713 ' O ' HD12 ' A' ' 527' ' ' LEU . 2.4 t -36.79 -30.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 537' ' ' PHE . 7.8 m-85 -102.81 136.9 41.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . 0.551 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 5.3 ttpm? -61.98 -63.46 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 544' ' ' ILE . 83.1 p -41.64 -48.35 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -50.03 -61.56 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 528' ' ' HIS . 36.8 tp -44.96 -47.31 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 541' ' ' SER . 62.9 mt -57.19 -39.16 65.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.56 -38.17 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -69.3 -51.5 36.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.828 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -45.65 -23.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.479 ' HA ' HG22 ' A' ' 551' ' ' THR . 60.1 mtp180 -49.87 -33.45 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 550' ' ' HIS . 23.8 pt -62.99 -31.2 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.405 ' N ' HG13 ' A' ' 549' ' ' ILE . 82.6 m-70 -77.35 -56.58 4.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 548' ' ' ARG . 14.9 t -56.53 -42.71 78.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . 0.464 ' N ' HG23 ' A' ' 551' ' ' THR . . . 135.01 133.82 3.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.521 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -146.33 120.86 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 95.6 p -99.66 -45.29 5.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -59.88 -94.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 143.32 50.27 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.258 . . . . 0.0 112.333 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 77.2 p -173.32 125.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 63.7 p -170.06 155.5 5.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 71.7 m -108.71 149.16 29.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 4.1 m -99.41 168.16 10.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -109.06 -158.74 18.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 27.1 m 57.26 44.69 21.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.865 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 56.5 p -98.21 132.76 43.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -162.98 -131.09 1.18 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . 0.512 ' HG3' HD23 ' A' ' 527' ' ' LEU . 25.0 tp10 -138.77 148.7 44.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.976 0.417 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -117.88 83.66 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 538' ' ' SER . 5.7 mt -47.99 -49.16 31.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.791 ' HB3' HD22 ' A' ' 543' ' ' LEU . 61.2 m-70 -135.28 105.79 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -101.08 149.39 24.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 12.4 t -89.21 118.2 28.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -83.16 37.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -132.81 -53.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.7 p -108.79 -47.86 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.47 37.57 0.55 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -100.18 174.87 5.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -143.35 137.58 28.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 538' ' ' SER . 12.2 m-85 -134.93 100.83 4.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.65 ' O ' HD12 ' A' ' 527' ' ' LEU . 44.0 m -34.56 -35.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 537' ' ' PHE . 12.2 m-85 -96.71 142.78 28.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . 0.401 ' HB2' ' NE2' ' A' ' 528' ' ' HIS . 28.1 ttpt -66.5 -58.89 4.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 4.9 m -45.7 -51.47 12.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -45.69 -61.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 528' ' ' HIS . 30.9 tp -47.01 -49.74 20.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.39 -39.12 51.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 89.1 mt -66.47 -39.24 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -69.75 -49.92 48.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -44.86 -23.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.564 ' O ' HG22 ' A' ' 551' ' ' THR . 83.0 mtt-85 -50.93 -36.61 39.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 28.9 pt -57.07 -25.89 23.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 552' ' ' GLY . 78.7 m-70 -89.08 -59.4 2.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 548' ' ' ARG . 3.0 t -37.84 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 550' ' ' HIS . . . 167.82 -50.76 0.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 552' ' ' GLY . 20.4 mt-10 -34.5 114.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.371 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 85.5 p -96.64 122.67 39.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -139.53 83.86 0.23 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 93.49 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.392 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 8.2 t -157.28 149.46 22.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 96.4 p -155.06 123.24 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 7.7 t -146.72 109.84 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 8.5 t -92.05 139.04 31.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -128.56 -88.59 0.57 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 8.4 m -156.34 160.99 40.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.894 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 78.2 p -87.25 159.12 18.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -118.84 -121.49 3.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -100.48 132.81 45.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -77.36 94.24 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 538' ' ' SER . 3.2 mt -62.0 -50.27 72.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.73 ' HB3' HD22 ' A' ' 543' ' ' LEU . 71.7 m-70 -135.04 100.23 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -97.68 152.54 18.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 12.0 t -89.84 120.91 31.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -84.73 33.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -129.69 -51.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.4 p -110.69 -48.34 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.81 32.15 0.77 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -92.59 179.53 5.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -149.01 142.75 25.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.069 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -141.16 104.97 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.554 ' O ' HD12 ' A' ' 527' ' ' LEU . 2.3 t -39.97 -31.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -101.58 134.94 43.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -59.34 -62.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . 0.416 ' HA ' HD12 ' A' ' 544' ' ' ILE . 91.1 p -42.66 -49.56 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -48.38 -61.16 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.73 HD22 ' HB3' ' A' ' 528' ' ' HIS . 12.2 tp -46.05 -48.62 16.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 541' ' ' SER . 57.3 mt -56.53 -38.89 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.35 -31.84 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -75.69 -48.57 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -48.52 -19.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -55.32 -28.51 54.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 20.6 pt -69.99 -27.07 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -82.36 -54.88 4.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . 0.484 HG23 ' HG2' ' A' ' 553' ' ' GLU . 11.9 t -68.83 -11.68 60.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 71.22 99.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.454 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.484 ' HG2' HG23 ' A' ' 551' ' ' THR . 68.9 mm-40 -133.67 174.36 10.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 85.1 p -58.61 133.84 56.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 166.13 144.94 4.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -9.67 26.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 37.1 m -93.7 -55.11 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 27.4 t -88.76 150.31 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 44.8 m 53.43 45.24 28.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 3.1 m -85.74 150.12 24.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 171.8 -42.68 0.18 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 1.3 t -63.33 136.39 57.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 3.5 t -115.27 41.52 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 136.91 114.2 1.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -71.4 143.28 50.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -119.55 83.42 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 538' ' ' SER . 5.5 mt -47.33 -52.29 16.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.631 ' HB3' HD22 ' A' ' 543' ' ' LEU . 73.0 m-70 -134.97 101.19 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -96.44 155.18 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.6 t -91.3 119.8 31.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -83.92 34.33 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -130.49 -49.42 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.8 p -113.21 -46.18 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.06 28.82 1.08 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.496 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 26.7 mttp -87.79 175.2 7.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -145.08 142.67 29.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -141.92 107.8 5.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.7 ' O ' HD12 ' A' ' 527' ' ' LEU . 1.4 t -45.72 -22.55 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . 0.434 ' HB2' ' CD ' ' A' ' 542' ' ' GLN . 5.9 m-85 -111.31 134.17 53.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -58.09 -64.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 6.1 m -40.63 -52.95 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.434 ' CD ' ' HB2' ' A' ' 539' ' ' PHE . 73.3 mt-30 -46.12 -54.67 8.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.631 HD22 ' HB3' ' A' ' 528' ' ' HIS . 19.9 tp -52.1 -50.04 62.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 59.9 mt -54.96 -34.92 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 83.2 mt -68.56 -36.2 73.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . 0.496 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.1 t60 -74.41 -48.82 25.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.826 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -47.74 -20.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.464 ' HA ' HG22 ' A' ' 551' ' ' THR . 42.1 mtp85 -53.64 -31.81 48.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 22.2 pt -65.47 -26.75 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -83.54 -41.21 18.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . 0.464 HG22 ' HA ' ' A' ' 548' ' ' ARG . 14.7 t -90.15 39.37 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 55.47 72.6 0.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 548' ' ' ARG . 15.8 tt0 -46.73 116.59 1.37 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 6.1 m -92.9 79.06 4.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -145.64 145.57 14.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -36.54 10.62 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 10.1 t -87.45 89.22 7.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 3.3 t -54.73 150.43 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.475 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 65.4 m -79.08 -48.0 15.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 3.1 t -45.28 133.25 7.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -74.04 151.31 43.8 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 83.8 p -82.22 92.23 6.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.885 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 77.6 p -64.71 135.23 55.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 161.45 -69.97 0.23 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -133.81 169.28 17.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.948 0.404 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 526' ' ' LYS . 1.7 mptp? -114.12 51.21 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 538' ' ' SER . 6.5 mt -40.41 -45.59 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.609 ' HB3' HD22 ' A' ' 543' ' ' LEU . 59.2 m-70 -135.03 99.85 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -92.82 152.02 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 13.2 t -89.23 126.14 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -88.08 30.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -125.52 -48.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 20.7 p -114.02 -49.32 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 128.08 28.21 0.87 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -88.66 179.29 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . 0.461 ' C ' ' CD1' ' A' ' 537' ' ' PHE . . . -146.26 145.86 30.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 536' ' ' ALA . 5.3 m-85 -143.62 106.91 4.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.634 ' O ' HD12 ' A' ' 527' ' ' LEU . 9.0 t -41.66 -27.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -105.66 136.25 45.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -61.22 -62.68 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . 0.433 ' HA ' HD12 ' A' ' 544' ' ' ILE . 71.6 p -43.02 -48.53 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -49.24 -59.75 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 528' ' ' HIS . 29.5 tp -46.62 -46.26 19.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 541' ' ' SER . 46.1 mt -60.51 -37.17 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.12 -29.78 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -77.59 -46.48 22.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -50.02 -18.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -56.99 -22.75 40.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 20.7 pt -77.24 -21.23 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -84.91 -67.7 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . 0.51 HG23 ' N ' ' A' ' 552' ' ' GLY . 10.2 t -40.98 -45.82 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.109 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . 0.51 ' N ' HG23 ' A' ' 551' ' ' THR . . . 124.56 66.35 0.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -174.6 129.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 110.936 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 77.7 p -134.58 86.52 2.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -72.11 -96.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.446 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 171.4 14.48 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.395 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 10.1 t 61.62 47.24 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 32.5 p -139.24 130.0 26.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 84.5 p -128.03 95.91 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.849 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 7.6 t -163.88 142.57 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 177.82 120.34 0.64 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 3.9 m -107.67 116.1 31.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 0.0 110.861 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 73.8 m -65.47 113.29 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -125.5 -124.71 2.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -119.62 116.77 26.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . 0.403 ' NZ ' ' HG3' ' A' ' 529' ' ' GLU . 1.5 mtpm? -94.0 96.63 9.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.73 HD12 ' O ' ' A' ' 538' ' ' SER . 3.4 mt -61.01 -51.24 70.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.653 ' HB3' HD22 ' A' ' 543' ' ' LEU . 75.0 m-70 -136.22 121.38 19.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 39.7 tt0 -113.9 151.19 32.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 5.4 t -91.48 110.35 21.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -71.87 1.35 7.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . 0.576 ' CB ' ' CD2' ' A' ' 550' ' ' HIS . 59.2 m-20 -91.19 -56.98 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.5 p -108.2 -48.14 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 127.42 26.09 1.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -83.97 179.83 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -144.11 135.29 25.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 539' ' ' PHE . 26.3 m-85 -135.02 100.08 4.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.73 ' O ' HD12 ' A' ' 527' ' ' LEU . 63.4 m -36.66 -33.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 537' ' ' PHE . 9.7 m-85 -98.85 138.71 35.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . 0.407 ' HB2' ' NE2' ' A' ' 528' ' ' HIS . 44.9 tttm -62.88 -56.03 20.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 82.7 p -48.7 -50.59 32.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -46.79 -60.65 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' A' ' 528' ' ' HIS . 19.0 tp -46.66 -48.59 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 57.3 mt -57.63 -41.18 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.08 -39.74 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . 0.415 ' CG ' ' CZ ' ' A' ' 537' ' ' PHE . 10.7 t60 -67.24 -50.55 60.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -45.77 -24.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.51 ' HA ' HG22 ' A' ' 551' ' ' THR . 43.2 mtp180 -48.53 -31.65 6.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 550' ' ' HIS . 26.5 pt -65.42 -32.42 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.576 ' CD2' ' CB ' ' A' ' 532' ' ' ASN . 88.4 m-70 -77.89 -47.02 19.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 551' ' ' THR . 14.2 t -78.9 44.45 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 38.98 92.43 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -47.73 -45.57 28.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.88 0.371 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 1.7 t 65.37 42.21 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -109.64 -158.19 17.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 144.19 53.43 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 49.6 m -83.92 93.52 8.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 28.1 t -162.7 108.59 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.555 179.954 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 23.4 p -39.51 142.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 17.2 p -93.71 -30.9 14.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 116.34 57.8 0.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 49.7 p -157.13 138.96 14.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.393 . . . . 0.0 110.832 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 4.3 m -87.45 99.11 11.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 71.67 -159.06 53.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -169.69 117.28 0.59 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.47 76.89 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 538' ' ' SER . 9.6 mt -68.97 -41.99 77.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.773 ' HB3' HD22 ' A' ' 543' ' ' LEU . 59.6 m-70 -135.03 102.82 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -96.37 151.35 19.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 10.1 t -90.36 118.53 29.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -83.64 35.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -131.1 -52.75 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.4 p -108.9 -48.24 3.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.48 37.08 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -100.48 178.39 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -146.71 143.6 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.098 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 537' ' ' PHE . 7.8 m-85 -141.44 105.08 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.76 ' O ' HD12 ' A' ' 527' ' ' LEU . 49.9 m -37.78 -35.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.851 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -96.81 142.08 29.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 47.7 tttm -69.17 -51.19 40.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 60.6 p -52.1 -47.77 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -51.19 -58.95 4.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.773 HD22 ' HB3' ' A' ' 528' ' ' HIS . 24.6 tp -45.15 -48.34 12.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 58.2 mt -56.15 -41.85 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.61 -36.65 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -72.35 -51.57 19.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -47.41 -21.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.482 ' HB3' ' CG ' ' A' ' 553' ' ' GLU . 27.6 mtt180 -53.24 -32.73 49.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 550' ' ' HIS . 25.3 pt -61.25 -33.11 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.446 ' N ' HG13 ' A' ' 549' ' ' ILE . 81.7 m-70 -75.98 -63.52 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 548' ' ' ARG . 9.5 t -51.99 -22.31 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 108.95 122.58 4.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.477 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.482 ' CG ' ' HB3' ' A' ' 548' ' ' ARG . 23.2 mt-10 -117.26 161.38 19.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 50.8 m -84.15 -57.07 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 126.58 84.57 0.52 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.533 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -47.96 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.262 . . . . 0.0 112.327 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 70.5 p -124.6 158.8 32.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 8.5 t -103.72 100.4 10.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 12.2 t 67.16 42.26 2.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 3.2 m -146.88 112.65 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 99.35 74.98 1.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 523' ' ' SER . 4.5 t -108.83 120.83 43.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.364 . . . . 0.0 110.878 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 522' ' ' SER . 71.4 m -35.61 139.1 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -118.66 147.43 18.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -51.23 155.43 1.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.389 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -95.28 114.21 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' ' 538' ' ' SER . 4.4 mt -75.21 -48.28 24.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.721 ' HB3' HD22 ' A' ' 543' ' ' LEU . 55.6 m-70 -134.98 98.05 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -95.97 137.64 34.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.8 t -74.61 124.93 27.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -89.6 34.9 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -131.24 -48.14 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.2 p -112.84 -47.09 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.87 31.58 0.86 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -91.41 179.18 5.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.773 0.32 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -148.73 133.79 18.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' A' ' 539' ' ' PHE . 18.1 m-85 -133.1 100.39 4.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.727 ' O ' HD12 ' A' ' 527' ' ' LEU . 67.8 m -34.52 -34.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 537' ' ' PHE . 6.3 m-85 -97.91 143.44 28.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . 0.53 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 36.2 tttm -66.95 -58.62 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 79.3 p -46.67 -50.71 17.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -46.79 -56.2 6.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 528' ' ' HIS . 24.0 tp -50.79 -48.74 59.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 59.9 mt -57.23 -36.8 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 94.5 mt -68.43 -31.77 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -76.03 -48.64 20.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . 0.475 HE21 HD11 ' A' ' 543' ' ' LEU . 72.9 mt-30 -48.97 -19.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -55.58 -21.01 15.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 24.2 pt -78.93 -21.4 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 551' ' ' THR . 83.2 m-70 -90.16 -65.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 550' ' ' HIS . 5.2 t -35.19 -43.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 553' ' ' GLU . . . 119.03 -36.57 3.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 552' ' ' GLY . 8.3 pt-20 -36.14 146.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 60.0 m -59.27 178.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -174.93 177.5 46.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 97.52 0.64 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.375 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 1.1 t -126.07 42.54 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 1.1 t 42.17 43.08 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 16.1 m -100.64 82.82 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 79.0 p -96.73 173.81 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 123.28 166.91 12.73 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 24.5 m -159.6 166.13 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 6.3 t -63.92 150.93 43.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -81.41 37.11 2.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -145.11 160.61 41.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.383 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.85 52.91 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 4.4 mt -43.76 -49.73 7.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.742 ' HB3' HD22 ' A' ' 543' ' ' LEU . 43.5 m-70 -131.34 104.82 7.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 35.7 tt0 -100.3 154.54 18.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . 0.434 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 5.7 t -90.75 118.47 30.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -84.43 32.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -128.09 -52.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.39 -47.78 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 124.68 33.57 0.75 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 23.9 mttp -93.75 169.43 10.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -131.58 143.24 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -142.81 128.67 19.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 28.8 m -84.22 23.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 540' ' ' LYS . 11.5 m-85 -153.2 108.61 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 539' ' ' PHE . 49.3 tttm -37.52 -57.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 3.3 m -47.65 -53.54 14.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -47.49 -59.76 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.742 HD22 ' HB3' ' A' ' 528' ' ' HIS . 58.2 tp -46.41 -45.81 18.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 53.8 mt -60.94 -37.84 77.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 79.1 mt -68.57 -38.66 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . 0.564 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.6 t60 -69.77 -49.05 56.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -47.83 -19.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.408 ' HA ' ' CG2' ' A' ' 551' ' ' THR . 42.5 mtp180 -54.59 -30.94 56.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 24.0 pt -66.26 -20.47 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -92.82 -25.69 18.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . 0.408 ' CG2' ' HA ' ' A' ' 548' ' ' ARG . 2.5 t -108.53 127.85 54.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 553' ' ' GLU . . . 70.65 -68.22 0.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 552' ' ' GLY . 15.3 mm-40 -35.5 134.03 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.893 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 14.4 m -133.97 101.99 5.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 143.63 85.18 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -49.54 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 1.6 t 45.06 43.69 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 39.4 m -116.56 -61.41 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.52 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 37.1 p -69.73 99.69 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.899 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 3.1 m -75.69 -46.32 31.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 85.68 -137.31 15.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 6.5 t -126.14 159.75 32.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.89 0.376 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 3.9 t -158.51 112.9 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 139.1 -138.21 9.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.533 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -88.81 124.46 34.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.8 84.12 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 538' ' ' SER . 6.8 mt -53.95 -48.5 70.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.558 ' HB3' HD22 ' A' ' 543' ' ' LEU . 58.7 m-70 -134.98 95.86 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -91.18 148.92 22.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 14.8 t -85.9 120.35 27.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -84.02 35.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -131.36 -50.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.49 -47.99 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.87 29.4 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -88.45 175.3 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -144.23 134.68 24.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 538' ' ' SER . 9.5 m-85 -134.13 101.28 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.627 ' O ' HD12 ' A' ' 527' ' ' LEU . 36.8 m -34.88 -36.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 537' ' ' PHE . 12.2 m-85 -98.45 141.36 31.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . 0.553 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 26.2 tttp -64.93 -59.08 4.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . 0.418 ' HA ' HD12 ' A' ' 544' ' ' ILE . 84.7 p -45.54 -49.99 13.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -47.96 -60.25 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 528' ' ' HIS . 23.1 tp -45.8 -49.78 14.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 541' ' ' SER . 56.8 mt -55.09 -39.54 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.6 -36.95 78.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -70.96 -46.91 61.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -50.39 -18.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 29.4 mtp85 -57.47 -20.41 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 21.7 pt -78.92 -26.01 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -80.09 -52.15 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 11.7 t -66.21 -20.64 66.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 98.08 87.56 1.88 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -46.51 -55.37 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 1.8 m -152.03 142.84 22.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 134.93 161.98 9.62 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.537 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.8 58.15 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 6.2 t -69.41 86.31 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 24.6 t -158.72 115.06 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 9.9 t -65.64 -45.4 83.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 73.1 m -147.28 114.06 6.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 124.6 70.87 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 24.8 m -130.65 123.4 29.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.842 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 92.8 p -166.95 136.1 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 151.52 -164.36 30.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 526' ' ' LYS . 35.0 tp10 -171.14 160.76 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 525' ' ' GLU . 31.8 mtmt -93.91 83.94 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 538' ' ' SER . 8.4 mt -64.32 -45.52 87.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.7 ' HB3' HD22 ' A' ' 543' ' ' LEU . 68.2 m-70 -136.38 106.9 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 530' ' ' CYS . 15.9 tt0 -99.04 151.06 21.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . 0.441 ' N ' ' HG2' ' A' ' 529' ' ' GLU . 20.0 t -87.6 121.28 29.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -84.4 31.89 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . 0.45 ' HB3' ' CD2' ' A' ' 550' ' ' HIS . 0.3 OUTLIER -127.07 -54.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 26.4 p -108.3 -48.19 3.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.91 34.09 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -95.69 -179.93 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . 0.497 ' C ' ' CD1' ' A' ' 537' ' ' PHE . . . -144.13 148.11 34.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 536' ' ' ALA . 6.9 m-85 -146.56 105.05 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.625 ' O ' HD12 ' A' ' 527' ' ' LEU . 43.1 m -38.16 -37.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -95.83 143.8 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 16.1 ttpt -68.17 -55.38 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 60.7 p -48.7 -48.63 40.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -48.93 -60.35 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 528' ' ' HIS . 28.5 tp -46.3 -47.69 18.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 60.0 mt -57.74 -41.76 80.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.21 -32.93 59.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -72.56 -50.94 22.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -47.64 -20.14 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -52.49 -28.88 22.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.543 HG22 ' CA ' ' A' ' 555' ' ' GLY . 24.7 pt -67.18 -29.15 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.45 ' CD2' ' HB3' ' A' ' 532' ' ' ASN . 77.3 m-70 -81.69 -26.51 34.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 551' ' ' THR . 9.9 t -111.72 117.85 34.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 63.94 -106.43 1.4 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 553' ' ' GLU . 4.0 pm0 -49.35 174.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 67.4 m -133.06 39.77 3.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.543 ' CA ' HG22 ' A' ' 549' ' ' ILE . . . 73.92 84.12 0.31 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -50.66 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.361 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 19.9 m -53.02 -58.64 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 79.8 p -92.79 104.51 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 45.8 m -143.37 110.12 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 40.2 p -89.3 162.43 15.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 147.02 -146.84 17.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 23.3 t -84.94 43.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 110.837 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 88.3 p -102.14 159.25 15.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 152.79 -122.11 1.25 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 35.7 mp0 -76.39 157.25 32.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.921 0.391 . . . . 0.0 110.872 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -84.24 84.29 7.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.25 -47.94 83.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.758 ' HB3' HD22 ' A' ' 543' ' ' LEU . 51.2 m-70 -133.93 104.77 6.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -101.03 146.18 27.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 6.3 t -83.78 119.97 25.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -84.93 12.96 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -103.42 -53.34 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.7 p -108.54 -46.73 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.7 25.79 1.22 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.54 ' HD2' ' CE1' ' A' ' 546' ' ' HIS . 19.9 mttm -84.07 175.04 9.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.751 0.31 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -138.89 140.86 38.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.11 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -142.15 129.45 21.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 39.3 m -84.63 25.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 540' ' ' LYS . 9.2 m-85 -155.44 106.86 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 539' ' ' PHE . 56.4 tttt -35.28 -56.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 39.8 m -49.55 -52.9 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -47.75 -56.25 7.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 528' ' ' HIS . 52.4 tp -50.95 -45.85 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 51.9 mt -61.08 -36.42 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 95.4 mt -69.17 -35.57 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . 0.54 ' CE1' ' HD2' ' A' ' 535' ' ' LYS . 11.8 t60 -73.73 -50.4 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -47.02 -22.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.484 ' HB3' ' CB ' ' A' ' 553' ' ' GLU . 73.9 mtt-85 -53.66 -34.49 58.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 19.1 pt -61.85 -28.84 45.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -79.04 -63.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . 0.461 HG23 ' N ' ' A' ' 552' ' ' GLY . 15.1 t -45.03 -42.02 8.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.157 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . 0.461 ' N ' HG23 ' A' ' 551' ' ' THR . . . 143.9 59.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.484 ' CB ' ' HB3' ' A' ' 548' ' ' ARG . 9.2 tp10 -132.06 152.67 51.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.899 0.38 . . . . 0.0 110.827 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 31.1 m -80.83 135.76 35.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -64.63 144.41 48.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 177.84 5.17 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 67.9 p -70.06 170.68 10.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 39.0 m -79.72 -61.94 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 1.8 m -84.97 104.76 15.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 35.4 p -134.1 127.83 32.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 120.93 166.81 13.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 37.1 p -76.01 156.33 34.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 4.7 t -172.42 128.34 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -137.99 85.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -169.49 132.86 1.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.911 0.386 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -126.46 85.87 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 538' ' ' SER . 9.3 mt -70.65 -43.12 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.789 ' HB3' HD22 ' A' ' 543' ' ' LEU . 55.7 m-70 -134.96 102.0 5.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -94.88 150.5 20.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 14.0 t -89.67 121.29 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -84.53 31.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -126.79 -52.56 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 25.3 p -109.75 -48.53 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 126.5 32.27 0.73 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -93.56 -179.68 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -149.26 142.83 25.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 537' ' ' PHE . 8.6 m-85 -141.32 105.33 4.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.781 ' O ' HD12 ' A' ' 527' ' ' LEU . 13.8 m -38.09 -34.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -97.95 139.48 33.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . 0.453 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 57.6 tttt -64.61 -55.43 20.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 15.5 m -49.28 -50.54 38.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -47.19 -55.02 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.789 HD22 ' HB3' ' A' ' 528' ' ' HIS . 25.5 tp -51.38 -47.13 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 56.5 mt -58.35 -36.92 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 76.8 mt -67.55 -34.86 70.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -71.53 -51.78 21.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -46.11 -21.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 28.8 mtp85 -50.38 -24.5 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 24.7 pt -73.89 -31.44 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -78.05 -56.29 4.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 12.9 t -60.71 -38.34 84.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 123.99 113.87 2.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -138.92 159.92 40.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 19.6 t -131.71 102.59 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -93.85 142.91 16.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -34.06 15.22 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.724 2.283 . . . . 0.0 112.332 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 1.5 t -123.52 -43.59 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 19.6 m -84.66 163.2 19.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 25.9 m -90.2 87.78 6.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.889 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 26.8 t -142.86 115.01 8.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -108.26 -138.22 8.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 87.9 p -119.24 110.34 16.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 15.4 m -64.76 137.6 57.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -179.71 -156.56 18.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -114.26 136.56 52.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.945 0.402 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -94.19 102.61 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 6.0 mt -92.32 -40.75 10.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.783 ' HB3' HD22 ' A' ' 543' ' ' LEU . 54.8 m-70 -137.98 105.01 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -96.54 150.68 20.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 8.7 t -90.12 121.5 32.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -85.03 28.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . 0.463 HD22 ' CG ' ' A' ' 550' ' ' HIS . 35.7 m-20 -122.86 -51.41 1.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 24.9 p -110.77 -46.82 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 127.05 13.84 2.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -74.08 163.03 28.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.735 0.302 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -128.83 141.0 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -138.27 134.6 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . . . . . . . . . 59.4 m -87.99 25.29 1.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 540' ' ' LYS . 9.1 m-85 -157.19 107.86 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . 0.468 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 51.8 tttp -35.67 -57.93 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 4.2 m -47.82 -53.27 16.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -47.87 -57.45 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 528' ' ' HIS . 38.4 tp -50.19 -44.15 52.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 56.3 mt -62.79 -36.85 77.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 97.5 mt -69.13 -32.76 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . 0.436 ' O ' HG23 ' A' ' 549' ' ' ILE . 10.7 t60 -74.78 -51.29 14.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -48.05 -19.62 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -55.68 -16.45 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 546' ' ' HIS . 21.0 pt -83.14 -27.79 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.463 ' CG ' HD22 ' A' ' 532' ' ' ASN . 88.5 m-70 -79.99 -20.93 44.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 12.8 t -118.24 165.94 13.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -69.94 85.88 0.3 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 555' ' ' GLY . 4.8 tm-20 -123.58 160.33 27.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.353 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 28.5 p -77.21 -56.89 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.493 ' N ' ' OE1' ' A' ' 553' ' ' GLU . . . 63.86 155.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -31.67 20.07 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 60.1 p 50.05 43.74 25.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 1.7 t -78.1 -61.19 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.423 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 9.3 t -94.0 134.57 36.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 73.8 m -109.39 -58.83 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.803 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 61.85 -121.01 24.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.432 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 1.2 t -144.21 148.86 35.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 2.0 t 72.65 41.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -118.88 -162.16 11.98 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.45 109.34 13.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.381 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . 0.504 ' NZ ' ' HB2' ' A' ' 536' ' ' ALA . 13.3 mmmt -78.11 79.27 4.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 538' ' ' SER . 6.1 mt -54.53 -51.94 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.866 ' HB3' HD22 ' A' ' 543' ' ' LEU . 75.6 m-70 -135.02 98.74 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -96.89 148.02 23.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 7.1 t -85.47 122.72 30.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -86.29 19.33 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . 0.417 HD22 ' CB ' ' A' ' 550' ' ' HIS . 49.6 m-20 -113.09 -47.97 3.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 27.0 p -113.16 -48.11 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.44 30.8 0.88 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -92.31 -179.86 5.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . 0.504 ' HB2' ' NZ ' ' A' ' 526' ' ' LYS . . . -147.25 141.61 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . 0.469 ' N ' ' CD1' ' A' ' 537' ' ' PHE . 2.9 m-85 -140.32 105.71 5.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.643 ' O ' HD12 ' A' ' 527' ' ' LEU . 60.2 m -41.07 -33.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -97.95 139.36 33.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . 0.479 ' HG3' ' CE1' ' A' ' 528' ' ' HIS . 75.9 tttt -65.81 -54.49 26.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 92.4 p -50.79 -49.62 57.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -48.26 -58.09 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.866 HD22 ' HB3' ' A' ' 528' ' ' HIS . 13.4 tp -47.67 -49.25 28.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 60.4 mt -55.68 -39.75 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . 0.621 HG23 ' NH1' ' A' ' 548' ' ' ARG . 90.5 mt -65.83 -33.01 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . 0.408 ' CG ' ' CZ ' ' A' ' 537' ' ' PHE . 9.9 t60 -73.59 -51.03 18.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -48.28 -19.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . 0.621 ' NH1' HG23 ' A' ' 545' ' ' ILE . 86.3 mtt180 -55.04 -22.46 15.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . . . . . . . . . 29.3 pt -75.14 -29.45 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.417 ' CB ' HD22 ' A' ' 532' ' ' ASN . 81.5 m-70 -82.2 -52.0 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 15.4 t -71.49 -13.85 61.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . 64.86 88.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -98.36 148.39 23.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.848 0.356 . . . . 0.0 110.923 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 3.1 m -49.22 -59.54 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 87.77 84.59 1.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -47.49 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.643 2.229 . . . . 0.0 112.36 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 11.5 t -89.21 -49.53 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 85.1 p -147.23 158.51 43.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' SER . . . . . . . . . . . . . 47.3 t -73.24 85.63 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 35.2 t -136.14 161.96 34.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 157.72 48.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' SER . . . . . . . . . . . . . 28.2 m -83.57 108.32 16.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 64.6 p -173.52 152.77 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 138.43 -116.98 1.36 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.56 126.64 30.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.879 0.371 . . . . 0.0 110.925 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.3 86.92 4.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 527' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.11 -33.08 65.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' HIS . . . . . 0.74 ' HB3' HD22 ' A' ' 543' ' ' LEU . 56.4 m-70 -138.62 104.97 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -95.98 154.41 17.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' CYS . . . . . . . . . . . . . 13.3 t -94.11 117.58 30.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -83.25 36.8 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 550' ' ' HIS . 3.6 t-20 -132.69 -52.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' CYS . . . . . . . . . . . . . 29.0 p -109.74 -47.47 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.31 26.62 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -89.28 157.52 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -123.09 137.36 54.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -133.34 131.04 39.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' SER . . . . . 0.523 ' O ' ' CD1' ' A' ' 539' ' ' PHE . 1.1 t -84.32 23.7 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 538' ' ' SER . 15.1 m-85 -155.13 106.12 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 539' ' ' PHE . 23.9 ttpt -34.79 -57.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 35.2 p -47.92 -53.52 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -47.08 -59.47 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 528' ' ' HIS . 49.2 tp -47.66 -46.24 28.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.59 -36.76 72.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' ILE . . . . . . . . . . . . . 79.9 mt -70.11 -36.07 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -70.39 -49.63 47.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -46.98 -22.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -50.71 -17.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 550' ' ' HIS . 33.4 pt -81.57 -31.94 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.468 ' HB3' ' ND2' ' A' ' 532' ' ' ASN . 60.5 m-70 -86.23 20.42 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 14.7 t -145.75 171.01 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -79.59 52.1 4.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -83.63 148.5 27.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 3.1 m 48.54 38.85 11.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 105.45 167.91 23.72 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 113.93 3.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.239 . . . . 0.0 112.369 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 2.3 m -55.54 151.91 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 20.2 m -129.04 147.61 50.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_